USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 772 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 60 TYR OH : rot 15:sc= -2.1! USER MOD Set 1.2: A 101 SER OG : rot -160:sc= -4.02! USER MOD Set 2.1: A 70 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 84 HIS :FLIP no HD1:sc= -2 F(o=-2.8!,f=-2) USER MOD Set 3.1: A 56 SER OG : rot 180:sc= 0.14 USER MOD Set 3.2: A 100 TYR OH : rot 159:sc= -3.21! USER MOD Set 4.1: A 49 SER OG : rot 170:sc= 0 USER MOD Set 4.2: A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 33 ASN : amide:sc= -5.91! C(o=-3.6!,f=-6.5!) USER MOD Set 5.2: A 41 SER OG : rot 1:sc= 0.764 USER MOD Set 5.3: A 69 THR OG1 : rot 67:sc= 1.52 USER MOD Set 6.1: A 17 ASN :FLIP amide:sc= -0.695! F(o=-3.5,f=-2.5!) USER MOD Set 6.2: A 22 GLN :FLIP amide:sc= -1.84! C(o=-5.7!,f=-2.5!) USER MOD Single : A 26 GLN : amide:sc= -0.0955 K(o=-0.096,f=-1.7!) USER MOD Single : A 32 TYR OH : rot -15:sc= -2.25! USER MOD Single : A 36 SER OG : rot 103:sc= -0.34 USER MOD Single : A 37 ASN : amide:sc= -3.58! C(o=-3.6!,f=-5.7!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0.0356 USER MOD Single : A 53 GLN :FLIP amide:sc= -1.87 F(o=-3.3!,f=-1.9) USER MOD Single : A 59 LYS NZ :NH3+ -95:sc= -0.161 (180deg=-1.08) USER MOD Single : A 63 GLN : amide:sc= -11.3! C(o=-11!,f=-21!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 17:sc= 0.668 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0.067) USER MOD Single : A 107 GLN : amide:sc= -0.15 X(o=-0.15,f=-0.15) USER MOD Single : A 109 LYS NZ :NH3+ 157:sc= -0.0181 (180deg=-0.166) USER MOD Single : A 113 SER OG : rot 170:sc= 0.0564 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD ----------------------------------------------------------------- ATOM 17 N PRO A 11 -6.161 7.077 17.408 1.00 0.00 N ATOM 18 CA PRO A 11 -6.878 6.455 16.255 1.00 0.00 C ATOM 19 C PRO A 11 -6.765 7.336 15.018 1.00 0.00 C ATOM 20 O PRO A 11 -7.742 7.850 14.510 1.00 0.00 O ATOM 21 CB PRO A 11 -8.317 6.382 16.745 1.00 0.00 C ATOM 22 CG PRO A 11 -8.478 7.447 17.827 1.00 0.00 C ATOM 23 CD PRO A 11 -7.080 7.819 18.328 1.00 0.00 C ATOM 0 HA PRO A 11 -6.477 5.484 15.966 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -9.013 6.558 15.925 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -8.538 5.392 17.143 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -8.987 8.324 17.427 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -9.090 7.070 18.646 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -6.911 8.895 18.280 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -6.934 7.520 19.366 1.00 0.00 H new ATOM 31 N VAL A 12 -5.573 7.525 14.539 1.00 0.00 N ATOM 32 CA VAL A 12 -5.364 8.363 13.370 1.00 0.00 C ATOM 33 C VAL A 12 -4.013 7.978 12.746 1.00 0.00 C ATOM 34 O VAL A 12 -3.998 7.458 11.666 1.00 0.00 O ATOM 35 CB VAL A 12 -5.400 9.803 13.864 1.00 0.00 C ATOM 36 CG1 VAL A 12 -4.596 10.699 12.927 1.00 0.00 C ATOM 37 CG2 VAL A 12 -6.842 10.317 13.973 1.00 0.00 C ATOM 0 H VAL A 12 -4.724 7.117 14.930 1.00 0.00 H new ATOM 0 HA VAL A 12 -6.123 8.236 12.598 1.00 0.00 H new ATOM 0 HB VAL A 12 -4.954 9.830 14.858 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.628 11.726 13.289 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.561 10.358 12.896 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.023 10.654 11.925 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.835 11.348 14.328 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.319 10.274 12.994 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.398 9.695 14.675 1.00 0.00 H new ATOM 47 N PRO A 13 -2.917 8.207 13.433 1.00 0.00 N ATOM 48 CA PRO A 13 -1.562 7.833 12.922 1.00 0.00 C ATOM 49 C PRO A 13 -1.224 6.389 13.291 1.00 0.00 C ATOM 50 O PRO A 13 -1.728 5.845 14.253 1.00 0.00 O ATOM 51 CB PRO A 13 -0.637 8.765 13.685 1.00 0.00 C ATOM 52 CG PRO A 13 -1.357 9.131 14.979 1.00 0.00 C ATOM 53 CD PRO A 13 -2.853 8.871 14.770 1.00 0.00 C ATOM 0 HA PRO A 13 -1.486 7.914 11.838 1.00 0.00 H new ATOM 0 HB2 PRO A 13 0.315 8.278 13.896 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -0.416 9.657 13.099 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -0.978 8.535 15.809 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -1.182 10.177 15.231 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -3.261 8.233 15.553 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -3.426 9.798 14.784 1.00 0.00 H new ATOM 61 N VAL A 14 -0.350 5.777 12.546 1.00 0.00 N ATOM 62 CA VAL A 14 0.054 4.381 12.863 1.00 0.00 C ATOM 63 C VAL A 14 1.061 4.416 14.012 1.00 0.00 C ATOM 64 O VAL A 14 1.587 5.454 14.358 1.00 0.00 O ATOM 65 CB VAL A 14 0.704 3.749 11.622 1.00 0.00 C ATOM 66 CG1 VAL A 14 2.124 4.295 11.440 1.00 0.00 C ATOM 67 CG2 VAL A 14 0.757 2.230 11.782 1.00 0.00 C ATOM 0 H VAL A 14 0.104 6.184 11.728 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.816 3.791 13.151 1.00 0.00 H new ATOM 0 HB VAL A 14 0.108 3.999 10.744 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.578 3.842 10.558 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.084 5.377 11.313 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.722 4.055 12.319 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.219 1.787 10.900 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.345 1.977 12.664 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.255 1.841 11.896 1.00 0.00 H new ATOM 77 N ASP A 15 1.331 3.292 14.610 1.00 0.00 N ATOM 78 CA ASP A 15 2.307 3.274 15.740 1.00 0.00 C ATOM 79 C ASP A 15 2.770 1.841 16.008 1.00 0.00 C ATOM 80 O ASP A 15 2.185 0.887 15.538 1.00 0.00 O ATOM 81 CB ASP A 15 1.663 3.840 17.016 1.00 0.00 C ATOM 82 CG ASP A 15 0.259 4.378 16.717 1.00 0.00 C ATOM 83 OD1 ASP A 15 -0.662 3.578 16.664 1.00 0.00 O ATOM 84 OD2 ASP A 15 0.129 5.579 16.546 1.00 0.00 O ATOM 0 H ASP A 15 0.923 2.389 14.370 1.00 0.00 H new ATOM 0 HA ASP A 15 3.162 3.892 15.464 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.606 3.062 17.777 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.286 4.638 17.421 1.00 0.00 H new ATOM 89 N GLU A 16 3.824 1.689 16.767 1.00 0.00 N ATOM 90 CA GLU A 16 4.342 0.324 17.080 1.00 0.00 C ATOM 91 C GLU A 16 4.368 -0.533 15.811 1.00 0.00 C ATOM 92 O GLU A 16 4.325 -1.746 15.876 1.00 0.00 O ATOM 93 CB GLU A 16 3.436 -0.337 18.120 1.00 0.00 C ATOM 94 CG GLU A 16 4.115 -0.289 19.491 1.00 0.00 C ATOM 95 CD GLU A 16 3.484 0.819 20.335 1.00 0.00 C ATOM 96 OE1 GLU A 16 3.895 1.958 20.185 1.00 0.00 O ATOM 97 OE2 GLU A 16 2.600 0.511 21.117 1.00 0.00 O ATOM 0 H GLU A 16 4.351 2.456 17.186 1.00 0.00 H new ATOM 0 HA GLU A 16 5.355 0.409 17.473 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.475 0.176 18.160 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.234 -1.370 17.838 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.009 -1.250 19.995 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.183 -0.107 19.373 1.00 0.00 H new ATOM 104 N ASN A 17 4.436 0.085 14.658 1.00 0.00 N ATOM 105 CA ASN A 17 4.467 -0.687 13.378 1.00 0.00 C ATOM 106 C ASN A 17 3.047 -1.073 12.956 1.00 0.00 C ATOM 107 O ASN A 17 2.762 -1.246 11.787 1.00 0.00 O ATOM 108 CB ASN A 17 5.312 -1.953 13.551 1.00 0.00 C ATOM 109 CG ASN A 17 6.093 -2.227 12.264 1.00 0.00 C ATOM 110 OD1 ASN A 17 6.947 -1.339 11.833 1.00 0.00 O flip ATOM 111 ND2 ASN A 17 5.925 -3.258 11.646 1.00 0.00 N flip ATOM 0 H ASN A 17 4.472 1.098 14.548 1.00 0.00 H new ATOM 0 HA ASN A 17 4.910 -0.060 12.604 1.00 0.00 H new ATOM 0 HB2 ASN A 17 6.000 -1.832 14.387 1.00 0.00 H new ATOM 0 HB3 ASN A 17 4.670 -2.802 13.787 1.00 0.00 H new ATOM 0 HD21 ASN A 17 5.258 -3.952 11.983 1.00 0.00 H new ATOM 0 HD22 ASN A 17 6.451 -3.431 10.790 1.00 0.00 H new ATOM 118 N ASP A 18 2.156 -1.208 13.894 1.00 0.00 N ATOM 119 CA ASP A 18 0.757 -1.582 13.553 1.00 0.00 C ATOM 120 C ASP A 18 0.766 -2.699 12.513 1.00 0.00 C ATOM 121 O ASP A 18 0.557 -2.471 11.336 1.00 0.00 O ATOM 122 CB ASP A 18 0.022 -0.365 12.991 1.00 0.00 C ATOM 123 CG ASP A 18 -1.474 -0.674 12.894 1.00 0.00 C ATOM 124 OD1 ASP A 18 -1.849 -1.791 13.208 1.00 0.00 O ATOM 125 OD2 ASP A 18 -2.217 0.211 12.504 1.00 0.00 O ATOM 0 H ASP A 18 2.337 -1.075 14.889 1.00 0.00 H new ATOM 0 HA ASP A 18 0.247 -1.928 14.452 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.185 0.500 13.633 1.00 0.00 H new ATOM 0 HB3 ASP A 18 0.416 -0.111 12.007 1.00 0.00 H new ATOM 130 N GLU A 19 1.005 -3.906 12.937 1.00 0.00 N ATOM 131 CA GLU A 19 1.022 -5.039 11.973 1.00 0.00 C ATOM 132 C GLU A 19 -0.188 -4.917 11.051 1.00 0.00 C ATOM 133 O GLU A 19 -0.123 -5.228 9.878 1.00 0.00 O ATOM 134 CB GLU A 19 0.960 -6.365 12.733 1.00 0.00 C ATOM 135 CG GLU A 19 0.106 -6.193 13.992 1.00 0.00 C ATOM 136 CD GLU A 19 -0.856 -7.374 14.122 1.00 0.00 C ATOM 137 OE1 GLU A 19 -0.659 -8.352 13.421 1.00 0.00 O ATOM 138 OE2 GLU A 19 -1.774 -7.279 14.919 1.00 0.00 O ATOM 0 H GLU A 19 1.189 -4.158 13.908 1.00 0.00 H new ATOM 0 HA GLU A 19 1.940 -5.011 11.386 1.00 0.00 H new ATOM 0 HB2 GLU A 19 0.536 -7.142 12.096 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.965 -6.688 13.004 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.746 -6.133 14.873 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.453 -5.259 13.940 1.00 0.00 H new ATOM 145 N GLY A 20 -1.291 -4.452 11.569 1.00 0.00 N ATOM 146 CA GLY A 20 -2.498 -4.296 10.718 1.00 0.00 C ATOM 147 C GLY A 20 -2.194 -3.267 9.628 1.00 0.00 C ATOM 148 O GLY A 20 -2.438 -3.495 8.460 1.00 0.00 O ATOM 0 H GLY A 20 -1.406 -4.174 12.544 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.772 -5.252 10.271 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.346 -3.971 11.320 1.00 0.00 H new ATOM 152 N LEU A 21 -1.647 -2.140 10.000 1.00 0.00 N ATOM 153 CA LEU A 21 -1.313 -1.108 8.982 1.00 0.00 C ATOM 154 C LEU A 21 -0.511 -1.768 7.866 1.00 0.00 C ATOM 155 O LEU A 21 -0.730 -1.513 6.698 1.00 0.00 O ATOM 156 CB LEU A 21 -0.481 0.004 9.623 1.00 0.00 C ATOM 157 CG LEU A 21 -0.381 1.183 8.653 1.00 0.00 C ATOM 158 CD1 LEU A 21 -1.228 2.345 9.174 1.00 0.00 C ATOM 159 CD2 LEU A 21 1.079 1.627 8.537 1.00 0.00 C ATOM 0 H LEU A 21 -1.419 -1.892 10.963 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.229 -0.675 8.580 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.941 0.325 10.558 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.515 -0.366 9.868 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.746 0.878 7.672 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.157 3.185 8.483 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.268 2.029 9.256 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.863 2.650 10.155 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.150 2.467 7.846 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.446 1.932 9.517 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.683 0.799 8.165 1.00 0.00 H new ATOM 171 N GLN A 22 0.415 -2.623 8.209 1.00 0.00 N ATOM 172 CA GLN A 22 1.214 -3.301 7.153 1.00 0.00 C ATOM 173 C GLN A 22 0.284 -4.160 6.300 1.00 0.00 C ATOM 174 O GLN A 22 0.424 -4.236 5.097 1.00 0.00 O ATOM 175 CB GLN A 22 2.287 -4.181 7.797 1.00 0.00 C ATOM 176 CG GLN A 22 3.239 -3.307 8.619 1.00 0.00 C ATOM 177 CD GLN A 22 4.426 -4.152 9.089 1.00 0.00 C ATOM 178 OE1 GLN A 22 5.587 -3.583 9.262 1.00 0.00 O flip ATOM 179 NE2 GLN A 22 4.293 -5.340 9.302 1.00 0.00 N flip ATOM 0 H GLN A 22 0.650 -2.879 9.168 1.00 0.00 H new ATOM 0 HA GLN A 22 1.701 -2.554 6.527 1.00 0.00 H new ATOM 0 HB2 GLN A 22 1.822 -4.931 8.436 1.00 0.00 H new ATOM 0 HB3 GLN A 22 2.842 -4.718 7.028 1.00 0.00 H new ATOM 0 HG2 GLN A 22 3.591 -2.468 8.018 1.00 0.00 H new ATOM 0 HG3 GLN A 22 2.715 -2.887 9.477 1.00 0.00 H new ATOM 0 HE21 GLN A 22 3.385 -5.784 9.166 1.00 0.00 H new ATOM 0 HE22 GLN A 22 5.090 -5.894 9.617 1.00 0.00 H new ATOM 188 N ARG A 23 -0.676 -4.792 6.910 1.00 0.00 N ATOM 189 CA ARG A 23 -1.628 -5.626 6.127 1.00 0.00 C ATOM 190 C ARG A 23 -2.503 -4.699 5.285 1.00 0.00 C ATOM 191 O ARG A 23 -3.129 -5.110 4.329 1.00 0.00 O ATOM 192 CB ARG A 23 -2.509 -6.433 7.083 1.00 0.00 C ATOM 193 CG ARG A 23 -2.051 -7.894 7.089 1.00 0.00 C ATOM 194 CD ARG A 23 -2.225 -8.478 8.491 1.00 0.00 C ATOM 195 NE ARG A 23 -1.646 -9.850 8.530 1.00 0.00 N ATOM 196 CZ ARG A 23 -0.397 -10.040 8.200 1.00 0.00 C ATOM 197 NH1 ARG A 23 0.465 -9.068 8.320 1.00 0.00 N ATOM 198 NH2 ARG A 23 -0.012 -11.202 7.747 1.00 0.00 N ATOM 0 H ARG A 23 -0.843 -4.768 7.916 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.081 -6.314 5.482 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.448 -6.018 8.089 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -3.552 -6.369 6.774 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -2.631 -8.471 6.369 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -1.007 -7.960 6.783 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -1.732 -7.842 9.226 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -3.282 -8.510 8.755 1.00 0.00 H new ATOM 0 HE ARG A 23 -2.225 -10.640 8.814 1.00 0.00 H new ATOM 0 HH11 ARG A 23 0.163 -8.159 8.672 1.00 0.00 H new ATOM 0 HH12 ARG A 23 1.441 -9.217 8.062 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -0.687 -11.961 7.651 1.00 0.00 H new ATOM 0 HH22 ARG A 23 0.964 -11.351 7.489 1.00 0.00 H new ATOM 212 N ALA A 24 -2.543 -3.441 5.639 1.00 0.00 N ATOM 213 CA ALA A 24 -3.365 -2.465 4.872 1.00 0.00 C ATOM 214 C ALA A 24 -2.628 -2.079 3.596 1.00 0.00 C ATOM 215 O ALA A 24 -3.144 -2.202 2.497 1.00 0.00 O ATOM 216 CB ALA A 24 -3.597 -1.216 5.724 1.00 0.00 C ATOM 0 H ALA A 24 -2.037 -3.047 6.432 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.325 -2.915 4.617 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.199 -0.500 5.164 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.120 -1.492 6.640 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.638 -0.764 5.976 1.00 0.00 H new ATOM 222 N LEU A 25 -1.420 -1.613 3.730 1.00 0.00 N ATOM 223 CA LEU A 25 -0.642 -1.216 2.546 1.00 0.00 C ATOM 224 C LEU A 25 -0.409 -2.431 1.656 1.00 0.00 C ATOM 225 O LEU A 25 -0.425 -2.342 0.452 1.00 0.00 O ATOM 226 CB LEU A 25 0.684 -0.655 3.051 1.00 0.00 C ATOM 227 CG LEU A 25 1.633 -0.349 1.887 1.00 0.00 C ATOM 228 CD1 LEU A 25 2.271 -1.647 1.391 1.00 0.00 C ATOM 229 CD2 LEU A 25 0.857 0.308 0.745 1.00 0.00 C ATOM 0 H LEU A 25 -0.941 -1.492 4.622 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.170 -0.467 1.955 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.503 0.254 3.625 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.152 -1.371 3.727 1.00 0.00 H new ATOM 0 HG LEU A 25 2.413 0.331 2.230 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.946 -1.428 0.563 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.832 -2.110 2.203 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.491 -2.330 1.053 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.536 0.523 -0.080 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.073 -0.367 0.402 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.408 1.237 1.097 1.00 0.00 H new ATOM 241 N GLN A 26 -0.183 -3.561 2.237 1.00 0.00 N ATOM 242 CA GLN A 26 0.063 -4.778 1.413 1.00 0.00 C ATOM 243 C GLN A 26 -1.239 -5.278 0.771 1.00 0.00 C ATOM 244 O GLN A 26 -1.220 -5.928 -0.257 1.00 0.00 O ATOM 245 CB GLN A 26 0.657 -5.879 2.293 1.00 0.00 C ATOM 246 CG GLN A 26 1.091 -7.056 1.416 1.00 0.00 C ATOM 247 CD GLN A 26 1.020 -8.350 2.229 1.00 0.00 C ATOM 248 OE1 GLN A 26 0.888 -8.316 3.436 1.00 0.00 O ATOM 249 NE2 GLN A 26 1.101 -9.497 1.614 1.00 0.00 N ATOM 0 H GLN A 26 -0.156 -3.704 3.247 1.00 0.00 H new ATOM 0 HA GLN A 26 0.763 -4.522 0.618 1.00 0.00 H new ATOM 0 HB2 GLN A 26 1.511 -5.493 2.850 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -0.079 -6.210 3.026 1.00 0.00 H new ATOM 0 HG2 GLN A 26 0.446 -7.128 0.540 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.106 -6.898 1.052 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.212 -9.526 0.600 1.00 0.00 H new ATOM 0 HE22 GLN A 26 1.053 -10.366 2.147 1.00 0.00 H new ATOM 258 N PHE A 27 -2.366 -4.987 1.356 1.00 0.00 N ATOM 259 CA PHE A 27 -3.661 -5.448 0.771 1.00 0.00 C ATOM 260 C PHE A 27 -3.949 -4.663 -0.503 1.00 0.00 C ATOM 261 O PHE A 27 -4.129 -5.213 -1.578 1.00 0.00 O ATOM 262 CB PHE A 27 -4.759 -5.177 1.784 1.00 0.00 C ATOM 263 CG PHE A 27 -6.053 -5.854 1.403 1.00 0.00 C ATOM 264 CD1 PHE A 27 -6.178 -6.541 0.189 1.00 0.00 C ATOM 265 CD2 PHE A 27 -7.145 -5.779 2.278 1.00 0.00 C ATOM 266 CE1 PHE A 27 -7.394 -7.148 -0.146 1.00 0.00 C ATOM 267 CE2 PHE A 27 -8.355 -6.387 1.946 1.00 0.00 C ATOM 268 CZ PHE A 27 -8.484 -7.071 0.734 1.00 0.00 C ATOM 0 H PHE A 27 -2.449 -4.448 2.218 1.00 0.00 H new ATOM 0 HA PHE A 27 -3.613 -6.511 0.535 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -4.441 -5.527 2.766 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -4.921 -4.102 1.865 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.338 -6.602 -0.487 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -7.049 -5.248 3.214 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -7.493 -7.676 -1.083 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -9.193 -6.329 2.625 1.00 0.00 H new ATOM 0 HZ PHE A 27 -9.422 -7.540 0.475 1.00 0.00 H new ATOM 278 N ALA A 28 -3.988 -3.378 -0.378 1.00 0.00 N ATOM 279 CA ALA A 28 -4.265 -2.517 -1.559 1.00 0.00 C ATOM 280 C ALA A 28 -3.083 -2.556 -2.516 1.00 0.00 C ATOM 281 O ALA A 28 -3.236 -2.756 -3.704 1.00 0.00 O ATOM 282 CB ALA A 28 -4.486 -1.086 -1.083 1.00 0.00 C ATOM 0 H ALA A 28 -3.839 -2.876 0.497 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.153 -2.880 -2.077 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.690 -0.445 -1.940 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -5.334 -1.057 -0.398 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -3.592 -0.731 -0.569 1.00 0.00 H new ATOM 288 N ILE A 29 -1.905 -2.358 -2.011 1.00 0.00 N ATOM 289 CA ILE A 29 -0.716 -2.380 -2.896 1.00 0.00 C ATOM 290 C ILE A 29 -0.656 -3.723 -3.609 1.00 0.00 C ATOM 291 O ILE A 29 -0.330 -3.815 -4.774 1.00 0.00 O ATOM 292 CB ILE A 29 0.552 -2.163 -2.054 1.00 0.00 C ATOM 293 CG1 ILE A 29 1.622 -1.522 -2.919 1.00 0.00 C ATOM 294 CG2 ILE A 29 1.069 -3.488 -1.512 1.00 0.00 C ATOM 295 CD1 ILE A 29 0.982 -0.347 -3.627 1.00 0.00 C ATOM 0 H ILE A 29 -1.713 -2.182 -1.025 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.784 -1.584 -3.637 1.00 0.00 H new ATOM 0 HB ILE A 29 0.309 -1.513 -1.214 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.463 -1.192 -2.309 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.014 -2.239 -3.641 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.967 -3.313 -0.919 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.304 -3.948 -0.886 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.307 -4.153 -2.342 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.721 0.142 -4.261 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.153 -0.700 -4.241 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.610 0.364 -2.889 1.00 0.00 H new ATOM 307 N ALA A 30 -0.981 -4.764 -2.911 1.00 0.00 N ATOM 308 CA ALA A 30 -0.972 -6.105 -3.539 1.00 0.00 C ATOM 309 C ALA A 30 -1.899 -6.040 -4.746 1.00 0.00 C ATOM 310 O ALA A 30 -1.648 -6.626 -5.786 1.00 0.00 O ATOM 311 CB ALA A 30 -1.496 -7.142 -2.541 1.00 0.00 C ATOM 0 H ALA A 30 -1.254 -4.745 -1.928 1.00 0.00 H new ATOM 0 HA ALA A 30 0.037 -6.391 -3.838 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -1.489 -8.129 -3.004 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.858 -7.151 -1.657 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -2.515 -6.885 -2.250 1.00 0.00 H new ATOM 317 N GLU A 31 -2.972 -5.309 -4.610 1.00 0.00 N ATOM 318 CA GLU A 31 -3.928 -5.179 -5.737 1.00 0.00 C ATOM 319 C GLU A 31 -3.353 -4.261 -6.814 1.00 0.00 C ATOM 320 O GLU A 31 -3.719 -4.356 -7.967 1.00 0.00 O ATOM 321 CB GLU A 31 -5.254 -4.610 -5.228 1.00 0.00 C ATOM 322 CG GLU A 31 -5.966 -5.664 -4.376 1.00 0.00 C ATOM 323 CD GLU A 31 -7.025 -6.375 -5.222 1.00 0.00 C ATOM 324 OE1 GLU A 31 -7.695 -5.700 -5.985 1.00 0.00 O ATOM 325 OE2 GLU A 31 -7.146 -7.582 -5.091 1.00 0.00 O ATOM 0 H GLU A 31 -3.225 -4.797 -3.765 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.100 -6.165 -6.168 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.074 -3.711 -4.639 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.884 -4.319 -6.068 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.245 -6.387 -3.995 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.433 -5.193 -3.511 1.00 0.00 H new ATOM 332 N TYR A 32 -2.452 -3.379 -6.472 1.00 0.00 N ATOM 333 CA TYR A 32 -1.886 -2.501 -7.515 1.00 0.00 C ATOM 334 C TYR A 32 -0.976 -3.341 -8.409 1.00 0.00 C ATOM 335 O TYR A 32 -1.043 -3.281 -9.625 1.00 0.00 O ATOM 336 CB TYR A 32 -1.089 -1.390 -6.859 1.00 0.00 C ATOM 337 CG TYR A 32 -1.301 -0.106 -7.620 1.00 0.00 C ATOM 338 CD1 TYR A 32 -1.110 -0.053 -9.007 1.00 0.00 C ATOM 339 CD2 TYR A 32 -1.696 1.041 -6.930 1.00 0.00 C ATOM 340 CE1 TYR A 32 -1.311 1.142 -9.688 1.00 0.00 C ATOM 341 CE2 TYR A 32 -1.899 2.233 -7.609 1.00 0.00 C ATOM 342 CZ TYR A 32 -1.705 2.292 -8.993 1.00 0.00 C ATOM 343 OH TYR A 32 -1.904 3.478 -9.671 1.00 0.00 O ATOM 0 H TYR A 32 -2.093 -3.236 -5.528 1.00 0.00 H new ATOM 0 HA TYR A 32 -2.682 -2.056 -8.112 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -1.401 -1.267 -5.822 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -0.030 -1.647 -6.845 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -0.807 -0.939 -9.546 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -1.844 1.000 -5.861 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -1.163 1.184 -10.757 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -2.207 3.116 -7.069 1.00 0.00 H new ATOM 0 HH TYR A 32 -1.505 3.415 -10.564 1.00 0.00 H new ATOM 353 N ASN A 33 -0.132 -4.137 -7.810 1.00 0.00 N ATOM 354 CA ASN A 33 0.778 -4.995 -8.611 1.00 0.00 C ATOM 355 C ASN A 33 -0.055 -5.927 -9.497 1.00 0.00 C ATOM 356 O ASN A 33 0.185 -6.042 -10.683 1.00 0.00 O ATOM 357 CB ASN A 33 1.654 -5.828 -7.672 1.00 0.00 C ATOM 358 CG ASN A 33 2.436 -6.863 -8.485 1.00 0.00 C ATOM 359 OD1 ASN A 33 1.862 -7.618 -9.245 1.00 0.00 O ATOM 360 ND2 ASN A 33 3.733 -6.933 -8.355 1.00 0.00 N ATOM 0 H ASN A 33 -0.036 -4.228 -6.799 1.00 0.00 H new ATOM 0 HA ASN A 33 1.414 -4.369 -9.237 1.00 0.00 H new ATOM 0 HB2 ASN A 33 2.343 -5.180 -7.130 1.00 0.00 H new ATOM 0 HB3 ASN A 33 1.034 -6.328 -6.928 1.00 0.00 H new ATOM 0 HD21 ASN A 33 4.263 -7.620 -8.891 1.00 0.00 H new ATOM 0 HD22 ASN A 33 4.217 -6.300 -7.718 1.00 0.00 H new ATOM 367 N ARG A 34 -1.036 -6.593 -8.941 1.00 0.00 N ATOM 368 CA ARG A 34 -1.869 -7.504 -9.776 1.00 0.00 C ATOM 369 C ARG A 34 -2.654 -6.674 -10.793 1.00 0.00 C ATOM 370 O ARG A 34 -3.210 -7.195 -11.739 1.00 0.00 O ATOM 371 CB ARG A 34 -2.842 -8.277 -8.882 1.00 0.00 C ATOM 372 CG ARG A 34 -3.825 -9.057 -9.757 1.00 0.00 C ATOM 373 CD ARG A 34 -3.913 -10.503 -9.265 1.00 0.00 C ATOM 374 NE ARG A 34 -3.409 -11.420 -10.325 1.00 0.00 N ATOM 375 CZ ARG A 34 -4.242 -11.956 -11.175 1.00 0.00 C ATOM 376 NH1 ARG A 34 -5.016 -12.937 -10.799 1.00 0.00 N ATOM 377 NH2 ARG A 34 -4.301 -11.511 -12.400 1.00 0.00 N ATOM 0 H ARG A 34 -1.292 -6.545 -7.955 1.00 0.00 H new ATOM 0 HA ARG A 34 -1.226 -8.212 -10.299 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -2.293 -8.960 -8.234 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -3.383 -7.588 -8.233 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -4.809 -8.590 -9.722 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -3.499 -9.035 -10.797 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -3.326 -10.625 -8.355 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -4.944 -10.751 -9.015 1.00 0.00 H new ATOM 0 HE ARG A 34 -2.413 -11.629 -10.387 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -4.970 -13.285 -9.841 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -5.667 -13.356 -11.463 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -3.696 -10.744 -12.694 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -4.952 -11.930 -13.064 1.00 0.00 H new ATOM 391 N ALA A 35 -2.712 -5.386 -10.595 1.00 0.00 N ATOM 392 CA ALA A 35 -3.473 -4.517 -11.539 1.00 0.00 C ATOM 393 C ALA A 35 -2.590 -4.094 -12.720 1.00 0.00 C ATOM 394 O ALA A 35 -3.079 -3.613 -13.722 1.00 0.00 O ATOM 395 CB ALA A 35 -3.959 -3.269 -10.799 1.00 0.00 C ATOM 0 H ALA A 35 -2.265 -4.896 -9.820 1.00 0.00 H new ATOM 0 HA ALA A 35 -4.324 -5.080 -11.923 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.516 -2.632 -11.486 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.606 -3.565 -9.973 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -3.102 -2.720 -10.409 1.00 0.00 H new ATOM 401 N SER A 36 -1.300 -4.262 -12.619 1.00 0.00 N ATOM 402 CA SER A 36 -0.417 -3.857 -13.755 1.00 0.00 C ATOM 403 C SER A 36 -0.502 -4.907 -14.868 1.00 0.00 C ATOM 404 O SER A 36 -1.007 -4.647 -15.942 1.00 0.00 O ATOM 405 CB SER A 36 1.030 -3.741 -13.258 1.00 0.00 C ATOM 406 OG SER A 36 1.881 -4.558 -14.052 1.00 0.00 O ATOM 0 H SER A 36 -0.821 -4.657 -11.810 1.00 0.00 H new ATOM 0 HA SER A 36 -0.742 -2.893 -14.147 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.359 -2.703 -13.307 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.090 -4.045 -12.213 1.00 0.00 H new ATOM 0 HG SER A 36 2.377 -3.997 -14.684 1.00 0.00 H new ATOM 412 N ASN A 37 -0.024 -6.095 -14.616 1.00 0.00 N ATOM 413 CA ASN A 37 -0.092 -7.168 -15.653 1.00 0.00 C ATOM 414 C ASN A 37 0.934 -6.917 -16.769 1.00 0.00 C ATOM 415 O ASN A 37 1.106 -7.734 -17.650 1.00 0.00 O ATOM 416 CB ASN A 37 -1.497 -7.199 -16.255 1.00 0.00 C ATOM 417 CG ASN A 37 -2.530 -7.005 -15.145 1.00 0.00 C ATOM 418 OD1 ASN A 37 -2.950 -5.896 -14.876 1.00 0.00 O ATOM 419 ND2 ASN A 37 -2.962 -8.043 -14.483 1.00 0.00 N ATOM 0 H ASN A 37 0.412 -6.371 -13.736 1.00 0.00 H new ATOM 0 HA ASN A 37 0.136 -8.123 -15.181 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -1.601 -6.414 -17.004 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -1.666 -8.149 -16.762 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -3.651 -7.924 -13.741 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -2.610 -8.974 -14.708 1.00 0.00 H new ATOM 426 N ASP A 38 1.614 -5.802 -16.749 1.00 0.00 N ATOM 427 CA ASP A 38 2.608 -5.516 -17.806 1.00 0.00 C ATOM 428 C ASP A 38 3.907 -6.280 -17.504 1.00 0.00 C ATOM 429 O ASP A 38 3.922 -7.496 -17.488 1.00 0.00 O ATOM 430 CB ASP A 38 2.843 -4.015 -17.798 1.00 0.00 C ATOM 431 CG ASP A 38 3.777 -3.624 -18.947 1.00 0.00 C ATOM 432 OD1 ASP A 38 3.513 -4.035 -20.065 1.00 0.00 O ATOM 433 OD2 ASP A 38 4.740 -2.921 -18.689 1.00 0.00 O ATOM 0 H ASP A 38 1.518 -5.077 -16.038 1.00 0.00 H new ATOM 0 HA ASP A 38 2.257 -5.835 -18.788 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.893 -3.490 -17.896 1.00 0.00 H new ATOM 0 HB3 ASP A 38 3.278 -3.712 -16.846 1.00 0.00 H new ATOM 438 N LYS A 39 4.992 -5.595 -17.246 1.00 0.00 N ATOM 439 CA LYS A 39 6.260 -6.310 -16.932 1.00 0.00 C ATOM 440 C LYS A 39 6.582 -6.091 -15.459 1.00 0.00 C ATOM 441 O LYS A 39 6.149 -6.833 -14.600 1.00 0.00 O ATOM 442 CB LYS A 39 7.394 -5.772 -17.808 1.00 0.00 C ATOM 443 CG LYS A 39 7.198 -6.251 -19.248 1.00 0.00 C ATOM 444 CD LYS A 39 7.073 -5.045 -20.179 1.00 0.00 C ATOM 445 CE LYS A 39 7.795 -5.337 -21.496 1.00 0.00 C ATOM 446 NZ LYS A 39 6.864 -5.099 -22.635 1.00 0.00 N ATOM 0 H LYS A 39 5.052 -4.577 -17.240 1.00 0.00 H new ATOM 0 HA LYS A 39 6.150 -7.376 -17.133 1.00 0.00 H new ATOM 0 HB2 LYS A 39 7.408 -4.683 -17.775 1.00 0.00 H new ATOM 0 HB3 LYS A 39 8.356 -6.115 -17.427 1.00 0.00 H new ATOM 0 HG2 LYS A 39 8.040 -6.872 -19.553 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.304 -6.870 -19.317 1.00 0.00 H new ATOM 0 HD2 LYS A 39 6.022 -4.827 -20.369 1.00 0.00 H new ATOM 0 HD3 LYS A 39 7.501 -4.161 -19.706 1.00 0.00 H new ATOM 0 HE2 LYS A 39 8.674 -4.699 -21.591 1.00 0.00 H new ATOM 0 HE3 LYS A 39 8.147 -6.368 -21.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 7.354 -5.297 -23.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 6.039 -5.726 -22.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 6.549 -4.108 -22.625 1.00 0.00 H new ATOM 460 N TYR A 40 7.312 -5.057 -15.175 1.00 0.00 N ATOM 461 CA TYR A 40 7.644 -4.714 -13.752 1.00 0.00 C ATOM 462 C TYR A 40 6.322 -4.644 -12.980 1.00 0.00 C ATOM 463 O TYR A 40 5.310 -5.147 -13.421 1.00 0.00 O ATOM 464 CB TYR A 40 8.331 -3.339 -13.719 1.00 0.00 C ATOM 465 CG TYR A 40 7.471 -2.415 -14.513 1.00 0.00 C ATOM 466 CD1 TYR A 40 6.291 -1.913 -13.959 1.00 0.00 C ATOM 467 CD2 TYR A 40 7.816 -2.121 -15.824 1.00 0.00 C ATOM 468 CE1 TYR A 40 5.454 -1.119 -14.729 1.00 0.00 C ATOM 469 CE2 TYR A 40 6.991 -1.319 -16.597 1.00 0.00 C ATOM 470 CZ TYR A 40 5.799 -0.815 -16.056 1.00 0.00 C ATOM 471 OH TYR A 40 4.968 -0.025 -16.823 1.00 0.00 O ATOM 0 H TYR A 40 7.703 -4.421 -15.870 1.00 0.00 H new ATOM 0 HA TYR A 40 8.309 -5.457 -13.311 1.00 0.00 H new ATOM 0 HB2 TYR A 40 8.438 -2.984 -12.694 1.00 0.00 H new ATOM 0 HB3 TYR A 40 9.333 -3.396 -14.143 1.00 0.00 H new ATOM 0 HD1 TYR A 40 6.032 -2.142 -12.936 1.00 0.00 H new ATOM 0 HD2 TYR A 40 8.729 -2.518 -16.243 1.00 0.00 H new ATOM 0 HE1 TYR A 40 4.537 -0.734 -14.308 1.00 0.00 H new ATOM 0 HE2 TYR A 40 7.266 -1.083 -17.614 1.00 0.00 H new ATOM 0 HH TYR A 40 5.356 0.088 -17.716 1.00 0.00 H new ATOM 481 N SER A 41 6.296 -4.030 -11.839 1.00 0.00 N ATOM 482 CA SER A 41 5.000 -3.977 -11.092 1.00 0.00 C ATOM 483 C SER A 41 4.793 -2.628 -10.394 1.00 0.00 C ATOM 484 O SER A 41 5.683 -2.102 -9.754 1.00 0.00 O ATOM 485 CB SER A 41 4.984 -5.091 -10.043 1.00 0.00 C ATOM 486 OG SER A 41 6.038 -4.882 -9.114 1.00 0.00 O ATOM 0 H SER A 41 7.089 -3.570 -11.392 1.00 0.00 H new ATOM 0 HA SER A 41 4.192 -4.108 -11.812 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.025 -5.103 -9.525 1.00 0.00 H new ATOM 0 HB3 SER A 41 5.098 -6.062 -10.526 1.00 0.00 H new ATOM 0 HG SER A 41 6.522 -4.062 -9.347 1.00 0.00 H new ATOM 492 N SER A 42 3.599 -2.089 -10.484 1.00 0.00 N ATOM 493 CA SER A 42 3.297 -0.800 -9.796 1.00 0.00 C ATOM 494 C SER A 42 3.339 -1.061 -8.295 1.00 0.00 C ATOM 495 O SER A 42 2.379 -1.526 -7.714 1.00 0.00 O ATOM 496 CB SER A 42 1.897 -0.316 -10.185 1.00 0.00 C ATOM 497 OG SER A 42 1.610 -0.719 -11.516 1.00 0.00 O ATOM 0 H SER A 42 2.821 -2.491 -11.007 1.00 0.00 H new ATOM 0 HA SER A 42 4.022 -0.038 -10.082 1.00 0.00 H new ATOM 0 HB2 SER A 42 1.155 -0.728 -9.501 1.00 0.00 H new ATOM 0 HB3 SER A 42 1.840 0.769 -10.102 1.00 0.00 H new ATOM 0 HG SER A 42 0.714 -0.411 -11.765 1.00 0.00 H new ATOM 503 N ARG A 43 4.444 -0.797 -7.659 1.00 0.00 N ATOM 504 CA ARG A 43 4.522 -1.073 -6.201 1.00 0.00 C ATOM 505 C ARG A 43 4.677 0.228 -5.417 1.00 0.00 C ATOM 506 O ARG A 43 5.122 1.236 -5.941 1.00 0.00 O ATOM 507 CB ARG A 43 5.726 -1.975 -5.923 1.00 0.00 C ATOM 508 CG ARG A 43 5.407 -2.901 -4.747 1.00 0.00 C ATOM 509 CD ARG A 43 5.865 -4.323 -5.079 1.00 0.00 C ATOM 510 NE ARG A 43 5.667 -5.199 -3.890 1.00 0.00 N ATOM 511 CZ ARG A 43 6.477 -5.108 -2.870 1.00 0.00 C ATOM 512 NH1 ARG A 43 6.271 -4.205 -1.951 1.00 0.00 N ATOM 513 NH2 ARG A 43 7.491 -5.924 -2.768 1.00 0.00 N ATOM 0 H ARG A 43 5.287 -0.407 -8.080 1.00 0.00 H new ATOM 0 HA ARG A 43 3.602 -1.566 -5.886 1.00 0.00 H new ATOM 0 HB2 ARG A 43 5.966 -2.563 -6.809 1.00 0.00 H new ATOM 0 HB3 ARG A 43 6.603 -1.369 -5.696 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.908 -2.547 -3.846 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.336 -2.891 -4.542 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.300 -4.710 -5.927 1.00 0.00 H new ATOM 0 HD3 ARG A 43 6.915 -4.319 -5.371 1.00 0.00 H new ATOM 0 HE ARG A 43 4.899 -5.870 -3.873 1.00 0.00 H new ATOM 0 HH11 ARG A 43 5.477 -3.570 -2.029 1.00 0.00 H new ATOM 0 HH12 ARG A 43 6.904 -4.134 -1.154 1.00 0.00 H new ATOM 0 HH21 ARG A 43 7.650 -6.632 -3.485 1.00 0.00 H new ATOM 0 HH22 ARG A 43 8.124 -5.854 -1.971 1.00 0.00 H new ATOM 527 N VAL A 44 4.338 0.207 -4.155 1.00 0.00 N ATOM 528 CA VAL A 44 4.502 1.426 -3.325 1.00 0.00 C ATOM 529 C VAL A 44 5.894 1.954 -3.568 1.00 0.00 C ATOM 530 O VAL A 44 6.725 1.279 -4.137 1.00 0.00 O ATOM 531 CB VAL A 44 4.278 1.076 -1.854 1.00 0.00 C ATOM 532 CG1 VAL A 44 5.573 0.553 -1.230 1.00 0.00 C ATOM 533 CG2 VAL A 44 3.807 2.329 -1.113 1.00 0.00 C ATOM 0 H VAL A 44 3.955 -0.603 -3.668 1.00 0.00 H new ATOM 0 HA VAL A 44 3.774 2.192 -3.590 1.00 0.00 H new ATOM 0 HB VAL A 44 3.521 0.296 -1.777 1.00 0.00 H new ATOM 0 HG11 VAL A 44 5.399 0.308 -0.182 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.899 -0.341 -1.763 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.346 1.319 -1.300 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.644 2.090 -0.062 1.00 0.00 H new ATOM 0 HG22 VAL A 44 4.566 3.107 -1.195 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.875 2.683 -1.553 1.00 0.00 H new ATOM 543 N VAL A 45 6.159 3.153 -3.172 1.00 0.00 N ATOM 544 CA VAL A 45 7.485 3.702 -3.426 1.00 0.00 C ATOM 545 C VAL A 45 7.742 4.867 -2.475 1.00 0.00 C ATOM 546 O VAL A 45 8.729 4.903 -1.766 1.00 0.00 O ATOM 547 CB VAL A 45 7.547 4.158 -4.883 1.00 0.00 C ATOM 548 CG1 VAL A 45 7.802 2.946 -5.759 1.00 0.00 C ATOM 549 CG2 VAL A 45 6.240 4.767 -5.358 1.00 0.00 C ATOM 0 H VAL A 45 5.510 3.771 -2.684 1.00 0.00 H new ATOM 0 HA VAL A 45 8.255 2.949 -3.255 1.00 0.00 H new ATOM 0 HB VAL A 45 8.336 4.907 -4.951 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.849 3.255 -6.803 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.747 2.484 -5.474 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.993 2.227 -5.630 1.00 0.00 H new ATOM 0 HG21 VAL A 45 6.339 5.074 -6.399 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.442 4.029 -5.271 1.00 0.00 H new ATOM 0 HG23 VAL A 45 5.999 5.636 -4.745 1.00 0.00 H new ATOM 559 N ARG A 46 6.851 5.806 -2.448 1.00 0.00 N ATOM 560 CA ARG A 46 7.015 6.970 -1.535 1.00 0.00 C ATOM 561 C ARG A 46 5.745 7.138 -0.692 1.00 0.00 C ATOM 562 O ARG A 46 4.881 7.928 -1.010 1.00 0.00 O ATOM 563 CB ARG A 46 7.256 8.236 -2.358 1.00 0.00 C ATOM 564 CG ARG A 46 8.549 8.082 -3.162 1.00 0.00 C ATOM 565 CD ARG A 46 8.709 9.276 -4.105 1.00 0.00 C ATOM 566 NE ARG A 46 8.342 10.529 -3.387 1.00 0.00 N ATOM 567 CZ ARG A 46 9.228 11.143 -2.652 1.00 0.00 C ATOM 568 NH1 ARG A 46 9.779 10.525 -1.642 1.00 0.00 N ATOM 569 NH2 ARG A 46 9.562 12.375 -2.923 1.00 0.00 N ATOM 0 H ARG A 46 6.008 5.822 -3.022 1.00 0.00 H new ATOM 0 HA ARG A 46 7.868 6.800 -0.878 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.416 8.411 -3.030 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.325 9.103 -1.701 1.00 0.00 H new ATOM 0 HG2 ARG A 46 9.404 8.020 -2.488 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.526 7.154 -3.734 1.00 0.00 H new ATOM 0 HD2 ARG A 46 9.737 9.336 -4.461 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.075 9.148 -4.982 1.00 0.00 H new ATOM 0 HE ARG A 46 7.398 10.907 -3.470 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.517 9.563 -1.428 1.00 0.00 H new ATOM 0 HH12 ARG A 46 10.472 11.005 -1.067 1.00 0.00 H new ATOM 0 HH21 ARG A 46 9.130 12.859 -3.710 1.00 0.00 H new ATOM 0 HH22 ARG A 46 10.255 12.854 -2.348 1.00 0.00 H new ATOM 583 N VAL A 47 5.631 6.404 0.384 1.00 0.00 N ATOM 584 CA VAL A 47 4.428 6.526 1.250 1.00 0.00 C ATOM 585 C VAL A 47 4.122 8.001 1.461 1.00 0.00 C ATOM 586 O VAL A 47 4.907 8.864 1.125 1.00 0.00 O ATOM 587 CB VAL A 47 4.702 5.818 2.572 1.00 0.00 C ATOM 588 CG1 VAL A 47 3.925 6.477 3.709 1.00 0.00 C ATOM 589 CG2 VAL A 47 4.282 4.352 2.456 1.00 0.00 C ATOM 0 H VAL A 47 6.323 5.724 0.699 1.00 0.00 H new ATOM 0 HA VAL A 47 3.560 6.060 0.783 1.00 0.00 H new ATOM 0 HB VAL A 47 5.767 5.887 2.791 1.00 0.00 H new ATOM 0 HG11 VAL A 47 4.135 5.956 4.643 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.227 7.520 3.799 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.857 6.426 3.497 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.476 3.842 3.400 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.218 4.295 2.225 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.852 3.872 1.660 1.00 0.00 H new ATOM 599 N ILE A 48 2.968 8.301 1.976 1.00 0.00 N ATOM 600 CA ILE A 48 2.604 9.719 2.156 1.00 0.00 C ATOM 601 C ILE A 48 1.763 9.868 3.413 1.00 0.00 C ATOM 602 O ILE A 48 1.999 10.729 4.238 1.00 0.00 O ATOM 603 CB ILE A 48 1.778 10.111 0.943 1.00 0.00 C ATOM 604 CG1 ILE A 48 2.706 10.425 -0.231 1.00 0.00 C ATOM 605 CG2 ILE A 48 0.912 11.339 1.249 1.00 0.00 C ATOM 606 CD1 ILE A 48 1.888 10.470 -1.522 1.00 0.00 C ATOM 0 H ILE A 48 2.266 7.625 2.278 1.00 0.00 H new ATOM 0 HA ILE A 48 3.489 10.349 2.253 1.00 0.00 H new ATOM 0 HB ILE A 48 1.125 9.277 0.686 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.205 11.380 -0.070 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.485 9.667 -0.307 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.329 11.602 0.366 1.00 0.00 H new ATOM 0 HG22 ILE A 48 0.238 11.112 2.075 1.00 0.00 H new ATOM 0 HG23 ILE A 48 1.553 12.177 1.523 1.00 0.00 H new ATOM 0 HD11 ILE A 48 2.546 10.694 -2.362 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.409 9.504 -1.683 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.125 11.244 -1.442 1.00 0.00 H new ATOM 618 N SER A 49 0.765 9.050 3.553 1.00 0.00 N ATOM 619 CA SER A 49 -0.107 9.175 4.753 1.00 0.00 C ATOM 620 C SER A 49 -0.650 7.814 5.196 1.00 0.00 C ATOM 621 O SER A 49 -1.663 7.350 4.714 1.00 0.00 O ATOM 622 CB SER A 49 -1.278 10.103 4.427 1.00 0.00 C ATOM 623 OG SER A 49 -1.173 11.286 5.206 1.00 0.00 O ATOM 0 H SER A 49 0.514 8.308 2.900 1.00 0.00 H new ATOM 0 HA SER A 49 0.490 9.584 5.568 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.275 10.352 3.366 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.223 9.601 4.634 1.00 0.00 H new ATOM 0 HG SER A 49 -1.823 11.946 4.887 1.00 0.00 H new ATOM 629 N ALA A 50 -0.009 7.195 6.145 1.00 0.00 N ATOM 630 CA ALA A 50 -0.513 5.894 6.661 1.00 0.00 C ATOM 631 C ALA A 50 -1.170 6.175 8.018 1.00 0.00 C ATOM 632 O ALA A 50 -0.524 6.615 8.947 1.00 0.00 O ATOM 633 CB ALA A 50 0.649 4.914 6.829 1.00 0.00 C ATOM 0 H ALA A 50 0.845 7.535 6.587 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.228 5.449 5.970 1.00 0.00 H new ATOM 0 HB1 ALA A 50 0.272 3.964 7.207 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.133 4.755 5.865 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.372 5.324 7.534 1.00 0.00 H new ATOM 639 N LYS A 51 -2.455 5.981 8.127 1.00 0.00 N ATOM 640 CA LYS A 51 -3.149 6.300 9.414 1.00 0.00 C ATOM 641 C LYS A 51 -4.120 5.174 9.793 1.00 0.00 C ATOM 642 O LYS A 51 -4.665 4.507 8.939 1.00 0.00 O ATOM 643 CB LYS A 51 -3.932 7.618 9.237 1.00 0.00 C ATOM 644 CG LYS A 51 -3.870 8.100 7.784 1.00 0.00 C ATOM 645 CD LYS A 51 -5.032 9.060 7.517 1.00 0.00 C ATOM 646 CE LYS A 51 -4.825 10.348 8.318 1.00 0.00 C ATOM 647 NZ LYS A 51 -4.247 11.397 7.431 1.00 0.00 N ATOM 0 H LYS A 51 -3.055 5.617 7.387 1.00 0.00 H new ATOM 0 HA LYS A 51 -2.410 6.402 10.209 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.971 7.471 9.531 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.519 8.382 9.896 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -2.920 8.600 7.595 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -3.923 7.249 7.104 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -5.093 9.287 6.453 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -5.976 8.592 7.798 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.774 10.689 8.731 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -4.159 10.162 9.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.106 12.272 7.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.333 11.071 7.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.898 11.581 6.641 1.00 0.00 H new ATOM 661 N ARG A 52 -4.350 4.956 11.070 1.00 0.00 N ATOM 662 CA ARG A 52 -5.302 3.872 11.465 1.00 0.00 C ATOM 663 C ARG A 52 -6.277 4.416 12.515 1.00 0.00 C ATOM 664 O ARG A 52 -5.895 4.729 13.624 1.00 0.00 O ATOM 665 CB ARG A 52 -4.537 2.683 12.079 1.00 0.00 C ATOM 666 CG ARG A 52 -3.581 3.198 13.158 1.00 0.00 C ATOM 667 CD ARG A 52 -3.835 2.447 14.467 1.00 0.00 C ATOM 668 NE ARG A 52 -3.289 3.235 15.607 1.00 0.00 N ATOM 669 CZ ARG A 52 -3.935 3.277 16.741 1.00 0.00 C ATOM 670 NH1 ARG A 52 -5.203 3.586 16.759 1.00 0.00 N ATOM 671 NH2 ARG A 52 -3.312 3.011 17.857 1.00 0.00 N ATOM 0 H ARG A 52 -3.927 5.473 11.841 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.840 3.538 10.578 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -5.238 1.968 12.510 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.980 2.156 11.305 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.548 3.057 12.840 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -3.726 4.268 13.306 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -4.904 2.284 14.603 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -3.364 1.464 14.432 1.00 0.00 H new ATOM 0 HE ARG A 52 -2.410 3.742 15.502 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -5.689 3.795 15.887 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -5.707 3.619 17.645 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -2.321 2.770 17.843 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -3.816 3.044 18.743 1.00 0.00 H new ATOM 685 N GLN A 53 -7.537 4.517 12.184 1.00 0.00 N ATOM 686 CA GLN A 53 -8.528 5.025 13.176 1.00 0.00 C ATOM 687 C GLN A 53 -9.090 3.841 13.966 1.00 0.00 C ATOM 688 O GLN A 53 -8.981 2.704 13.550 1.00 0.00 O ATOM 689 CB GLN A 53 -9.663 5.748 12.449 1.00 0.00 C ATOM 690 CG GLN A 53 -9.597 7.245 12.761 1.00 0.00 C ATOM 691 CD GLN A 53 -10.747 7.966 12.058 1.00 0.00 C ATOM 692 OE1 GLN A 53 -11.976 7.597 12.297 1.00 0.00 O flip ATOM 693 NE2 GLN A 53 -10.526 8.877 11.284 1.00 0.00 N flip ATOM 0 H GLN A 53 -7.922 4.270 11.272 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.043 5.725 13.857 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -9.582 5.586 11.374 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -10.626 5.343 12.761 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -9.658 7.406 13.837 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.642 7.654 12.431 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -9.566 9.166 11.097 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -11.301 9.353 10.822 1.00 0.00 H new ATOM 702 N LEU A 54 -9.680 4.088 15.106 1.00 0.00 N ATOM 703 CA LEU A 54 -10.225 2.960 15.913 1.00 0.00 C ATOM 704 C LEU A 54 -11.653 3.259 16.373 1.00 0.00 C ATOM 705 O LEU A 54 -11.887 3.622 17.509 1.00 0.00 O ATOM 706 CB LEU A 54 -9.337 2.736 17.138 1.00 0.00 C ATOM 707 CG LEU A 54 -8.588 1.409 16.987 1.00 0.00 C ATOM 708 CD1 LEU A 54 -7.413 1.598 16.028 1.00 0.00 C ATOM 709 CD2 LEU A 54 -8.067 0.957 18.352 1.00 0.00 C ATOM 0 H LEU A 54 -9.807 5.016 15.510 1.00 0.00 H new ATOM 0 HA LEU A 54 -10.239 2.065 15.291 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -8.628 3.557 17.242 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -9.944 2.723 18.043 1.00 0.00 H new ATOM 0 HG LEU A 54 -9.264 0.652 16.591 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.878 0.655 15.918 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.785 1.919 15.055 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.737 2.355 16.426 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -7.534 0.012 18.243 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -7.390 1.712 18.751 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -8.905 0.824 19.036 1.00 0.00 H new ATOM 721 N VAL A 55 -12.615 3.062 15.515 1.00 0.00 N ATOM 722 CA VAL A 55 -14.030 3.282 15.911 1.00 0.00 C ATOM 723 C VAL A 55 -14.652 1.891 16.060 1.00 0.00 C ATOM 724 O VAL A 55 -13.960 0.967 16.438 1.00 0.00 O ATOM 725 CB VAL A 55 -14.747 4.105 14.830 1.00 0.00 C ATOM 726 CG1 VAL A 55 -15.070 3.218 13.626 1.00 0.00 C ATOM 727 CG2 VAL A 55 -16.037 4.699 15.400 1.00 0.00 C ATOM 0 H VAL A 55 -12.479 2.756 14.551 1.00 0.00 H new ATOM 0 HA VAL A 55 -14.115 3.839 16.844 1.00 0.00 H new ATOM 0 HB VAL A 55 -14.093 4.915 14.508 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -15.578 3.809 12.864 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -14.146 2.813 13.214 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -15.717 2.399 13.941 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -16.541 5.282 14.629 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -16.692 3.894 15.733 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -15.798 5.345 16.245 1.00 0.00 H new ATOM 737 N SER A 56 -15.916 1.703 15.771 1.00 0.00 N ATOM 738 CA SER A 56 -16.485 0.325 15.908 1.00 0.00 C ATOM 739 C SER A 56 -15.478 -0.683 15.353 1.00 0.00 C ATOM 740 O SER A 56 -15.401 -1.803 15.793 1.00 0.00 O ATOM 741 CB SER A 56 -17.793 0.196 15.115 1.00 0.00 C ATOM 742 OG SER A 56 -17.537 0.460 13.744 1.00 0.00 O ATOM 0 H SER A 56 -16.565 2.423 15.454 1.00 0.00 H new ATOM 0 HA SER A 56 -16.687 0.133 16.962 1.00 0.00 H new ATOM 0 HB2 SER A 56 -18.207 -0.806 15.234 1.00 0.00 H new ATOM 0 HB3 SER A 56 -18.536 0.895 15.500 1.00 0.00 H new ATOM 0 HG SER A 56 -18.370 0.377 13.234 1.00 0.00 H new ATOM 748 N GLY A 57 -14.694 -0.271 14.403 1.00 0.00 N ATOM 749 CA GLY A 57 -13.668 -1.171 13.814 1.00 0.00 C ATOM 750 C GLY A 57 -12.479 -0.294 13.394 1.00 0.00 C ATOM 751 O GLY A 57 -12.548 0.916 13.504 1.00 0.00 O ATOM 0 H GLY A 57 -14.720 0.667 14.002 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -13.354 -1.922 14.539 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -14.073 -1.706 12.955 1.00 0.00 H new ATOM 755 N ILE A 58 -11.384 -0.846 12.924 1.00 0.00 N ATOM 756 CA ILE A 58 -10.261 0.044 12.536 1.00 0.00 C ATOM 757 C ILE A 58 -10.446 0.554 11.123 1.00 0.00 C ATOM 758 O ILE A 58 -11.059 -0.079 10.296 1.00 0.00 O ATOM 759 CB ILE A 58 -8.964 -0.714 12.557 1.00 0.00 C ATOM 760 CG1 ILE A 58 -8.742 -1.262 13.952 1.00 0.00 C ATOM 761 CG2 ILE A 58 -7.818 0.252 12.190 1.00 0.00 C ATOM 762 CD1 ILE A 58 -7.294 -1.662 14.052 1.00 0.00 C ATOM 0 H ILE A 58 -11.228 -1.846 12.797 1.00 0.00 H new ATOM 0 HA ILE A 58 -10.244 0.871 13.246 1.00 0.00 H new ATOM 0 HB ILE A 58 -8.992 -1.536 11.842 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -8.986 -0.511 14.703 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -9.391 -2.118 14.136 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -6.870 -0.287 12.202 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.991 0.660 11.194 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -7.782 1.066 12.914 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -7.095 -2.063 15.046 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -7.074 -2.423 13.303 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -6.663 -0.790 13.879 1.00 0.00 H new ATOM 774 N LYS A 59 -9.851 1.666 10.828 1.00 0.00 N ATOM 775 CA LYS A 59 -9.903 2.201 9.446 1.00 0.00 C ATOM 776 C LYS A 59 -8.458 2.351 9.021 1.00 0.00 C ATOM 777 O LYS A 59 -7.619 2.788 9.781 1.00 0.00 O ATOM 778 CB LYS A 59 -10.613 3.556 9.401 1.00 0.00 C ATOM 779 CG LYS A 59 -11.520 3.712 10.625 1.00 0.00 C ATOM 780 CD LYS A 59 -12.609 4.742 10.323 1.00 0.00 C ATOM 781 CE LYS A 59 -11.965 6.034 9.815 1.00 0.00 C ATOM 782 NZ LYS A 59 -12.101 6.105 8.332 1.00 0.00 N ATOM 0 H LYS A 59 -9.325 2.235 11.491 1.00 0.00 H new ATOM 0 HA LYS A 59 -10.462 1.538 8.785 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -9.878 4.361 9.378 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -11.203 3.637 8.488 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -11.972 2.754 10.881 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -10.934 4.029 11.488 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -13.299 4.349 9.576 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -13.193 4.943 11.221 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -12.443 6.898 10.277 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -10.912 6.064 10.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -11.239 5.732 7.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -12.920 5.538 8.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -12.240 7.094 8.043 1.00 0.00 H new ATOM 796 N TYR A 60 -8.145 1.949 7.841 1.00 0.00 N ATOM 797 CA TYR A 60 -6.723 2.020 7.402 1.00 0.00 C ATOM 798 C TYR A 60 -6.570 2.960 6.211 1.00 0.00 C ATOM 799 O TYR A 60 -6.773 2.575 5.080 1.00 0.00 O ATOM 800 CB TYR A 60 -6.265 0.625 6.992 1.00 0.00 C ATOM 801 CG TYR A 60 -5.921 -0.238 8.205 1.00 0.00 C ATOM 802 CD1 TYR A 60 -5.639 0.339 9.458 1.00 0.00 C ATOM 803 CD2 TYR A 60 -5.870 -1.637 8.067 1.00 0.00 C ATOM 804 CE1 TYR A 60 -5.308 -0.473 10.545 1.00 0.00 C ATOM 805 CE2 TYR A 60 -5.543 -2.441 9.160 1.00 0.00 C ATOM 806 CZ TYR A 60 -5.260 -1.861 10.398 1.00 0.00 C ATOM 807 OH TYR A 60 -4.937 -2.656 11.478 1.00 0.00 O ATOM 0 H TYR A 60 -8.800 1.574 7.155 1.00 0.00 H new ATOM 0 HA TYR A 60 -6.119 2.398 8.227 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -7.050 0.140 6.412 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -5.393 0.705 6.343 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -5.679 1.411 9.579 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -6.085 -2.091 7.111 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -5.088 -0.026 11.503 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -5.509 -3.515 9.048 1.00 0.00 H new ATOM 0 HH TYR A 60 -5.006 -2.131 12.303 1.00 0.00 H new ATOM 817 N ILE A 61 -6.177 4.179 6.436 1.00 0.00 N ATOM 818 CA ILE A 61 -5.991 5.091 5.292 1.00 0.00 C ATOM 819 C ILE A 61 -4.544 4.968 4.828 1.00 0.00 C ATOM 820 O ILE A 61 -3.630 4.869 5.616 1.00 0.00 O ATOM 821 CB ILE A 61 -6.249 6.528 5.709 1.00 0.00 C ATOM 822 CG1 ILE A 61 -7.122 6.580 6.970 1.00 0.00 C ATOM 823 CG2 ILE A 61 -6.950 7.276 4.573 1.00 0.00 C ATOM 824 CD1 ILE A 61 -8.389 5.751 6.760 1.00 0.00 C ATOM 0 H ILE A 61 -5.980 4.576 7.355 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.688 4.827 4.496 1.00 0.00 H new ATOM 0 HB ILE A 61 -5.292 7.001 5.927 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.564 6.198 7.825 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -7.386 7.613 7.198 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -7.134 8.307 4.875 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -6.317 7.265 3.685 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.899 6.789 4.348 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -9.004 5.792 7.659 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -8.951 6.153 5.917 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -8.117 4.716 6.554 1.00 0.00 H new ATOM 836 N LEU A 62 -4.336 4.925 3.561 1.00 0.00 N ATOM 837 CA LEU A 62 -2.992 4.762 3.019 1.00 0.00 C ATOM 838 C LEU A 62 -2.794 5.746 1.883 1.00 0.00 C ATOM 839 O LEU A 62 -3.691 6.004 1.115 1.00 0.00 O ATOM 840 CB LEU A 62 -2.986 3.385 2.426 1.00 0.00 C ATOM 841 CG LEU A 62 -1.614 2.729 2.433 1.00 0.00 C ATOM 842 CD1 LEU A 62 -0.566 3.708 1.945 1.00 0.00 C ATOM 843 CD2 LEU A 62 -1.290 2.266 3.842 1.00 0.00 C ATOM 0 H LEU A 62 -5.071 4.999 2.858 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.222 4.916 3.775 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.684 2.756 2.979 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.350 3.438 1.400 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.617 1.869 1.763 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.413 3.228 1.954 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.807 4.022 0.929 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.549 4.579 2.600 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.307 1.795 3.853 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.289 3.123 4.515 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.041 1.547 4.170 1.00 0.00 H new ATOM 855 N GLN A 63 -1.624 6.236 1.726 1.00 0.00 N ATOM 856 CA GLN A 63 -1.345 7.116 0.593 1.00 0.00 C ATOM 857 C GLN A 63 0.046 6.799 0.152 1.00 0.00 C ATOM 858 O GLN A 63 0.928 6.567 0.952 1.00 0.00 O ATOM 859 CB GLN A 63 -1.380 8.565 0.955 1.00 0.00 C ATOM 860 CG GLN A 63 -2.821 9.061 1.066 1.00 0.00 C ATOM 861 CD GLN A 63 -3.281 8.991 2.524 1.00 0.00 C ATOM 862 OE1 GLN A 63 -3.245 7.943 3.133 1.00 0.00 O ATOM 863 NE2 GLN A 63 -3.717 10.073 3.110 1.00 0.00 N ATOM 0 H GLN A 63 -0.833 6.062 2.345 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.104 6.951 -0.172 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -0.863 8.721 1.902 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -0.848 9.146 0.202 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -2.892 10.086 0.701 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.474 8.454 0.439 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -3.747 10.954 2.597 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -4.028 10.037 4.081 1.00 0.00 H new ATOM 872 N VAL A 64 0.249 6.825 -1.099 1.00 0.00 N ATOM 873 CA VAL A 64 1.608 6.537 -1.635 1.00 0.00 C ATOM 874 C VAL A 64 1.670 6.943 -3.104 1.00 0.00 C ATOM 875 O VAL A 64 0.730 6.737 -3.855 1.00 0.00 O ATOM 876 CB VAL A 64 1.962 5.018 -1.529 1.00 0.00 C ATOM 877 CG1 VAL A 64 1.570 4.434 -0.171 1.00 0.00 C ATOM 878 CG2 VAL A 64 1.241 4.245 -2.618 1.00 0.00 C ATOM 0 H VAL A 64 -0.461 7.033 -1.801 1.00 0.00 H new ATOM 0 HA VAL A 64 2.324 7.105 -1.041 1.00 0.00 H new ATOM 0 HB VAL A 64 3.042 4.927 -1.645 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.833 3.377 -0.140 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.101 4.964 0.620 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.496 4.545 -0.024 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.491 3.187 -2.540 1.00 0.00 H new ATOM 0 HG22 VAL A 64 0.165 4.373 -2.503 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.549 4.619 -3.594 1.00 0.00 H new ATOM 888 N GLU A 65 2.779 7.483 -3.528 1.00 0.00 N ATOM 889 CA GLU A 65 2.921 7.847 -4.959 1.00 0.00 C ATOM 890 C GLU A 65 3.361 6.574 -5.684 1.00 0.00 C ATOM 891 O GLU A 65 4.489 6.433 -6.099 1.00 0.00 O ATOM 892 CB GLU A 65 3.971 8.950 -5.138 1.00 0.00 C ATOM 893 CG GLU A 65 4.064 9.787 -3.861 1.00 0.00 C ATOM 894 CD GLU A 65 4.159 11.270 -4.226 1.00 0.00 C ATOM 895 OE1 GLU A 65 4.017 11.582 -5.397 1.00 0.00 O ATOM 896 OE2 GLU A 65 4.371 12.068 -3.329 1.00 0.00 O ATOM 0 H GLU A 65 3.590 7.686 -2.944 1.00 0.00 H new ATOM 0 HA GLU A 65 1.983 8.231 -5.359 1.00 0.00 H new ATOM 0 HB2 GLU A 65 4.941 8.508 -5.366 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.704 9.586 -5.982 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.190 9.611 -3.234 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.937 9.488 -3.281 1.00 0.00 H new ATOM 903 N ILE A 66 2.452 5.647 -5.804 1.00 0.00 N ATOM 904 CA ILE A 66 2.744 4.333 -6.457 1.00 0.00 C ATOM 905 C ILE A 66 3.673 4.552 -7.623 1.00 0.00 C ATOM 906 O ILE A 66 3.592 5.541 -8.312 1.00 0.00 O ATOM 907 CB ILE A 66 1.439 3.714 -7.020 1.00 0.00 C ATOM 908 CG1 ILE A 66 0.176 4.375 -6.443 1.00 0.00 C ATOM 909 CG2 ILE A 66 1.359 2.214 -6.756 1.00 0.00 C ATOM 910 CD1 ILE A 66 -0.081 3.872 -5.026 1.00 0.00 C ATOM 0 H ILE A 66 1.494 5.745 -5.469 1.00 0.00 H new ATOM 0 HA ILE A 66 3.190 3.671 -5.714 1.00 0.00 H new ATOM 0 HB ILE A 66 1.477 3.896 -8.094 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.294 5.459 -6.436 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.682 4.152 -7.077 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.429 1.821 -7.167 1.00 0.00 H new ATOM 0 HG22 ILE A 66 2.204 1.716 -7.230 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.386 2.032 -5.682 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.978 4.347 -4.628 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.220 2.791 -5.043 1.00 0.00 H new ATOM 0 HD13 ILE A 66 0.771 4.118 -4.392 1.00 0.00 H new ATOM 922 N GLY A 67 4.555 3.642 -7.872 1.00 0.00 N ATOM 923 CA GLY A 67 5.442 3.862 -9.015 1.00 0.00 C ATOM 924 C GLY A 67 5.781 2.544 -9.725 1.00 0.00 C ATOM 925 O GLY A 67 5.259 1.491 -9.384 1.00 0.00 O ATOM 0 H GLY A 67 4.695 2.779 -7.347 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.967 4.544 -9.720 1.00 0.00 H new ATOM 0 HA3 GLY A 67 6.361 4.341 -8.677 1.00 0.00 H new ATOM 929 N ARG A 68 6.649 2.585 -10.717 1.00 0.00 N ATOM 930 CA ARG A 68 6.994 1.333 -11.449 1.00 0.00 C ATOM 931 C ARG A 68 8.232 0.704 -10.818 1.00 0.00 C ATOM 932 O ARG A 68 9.261 1.322 -10.734 1.00 0.00 O ATOM 933 CB ARG A 68 7.281 1.665 -12.914 1.00 0.00 C ATOM 934 CG ARG A 68 5.962 1.928 -13.645 1.00 0.00 C ATOM 935 CD ARG A 68 5.333 3.218 -13.118 1.00 0.00 C ATOM 936 NE ARG A 68 4.338 3.724 -14.105 1.00 0.00 N ATOM 937 CZ ARG A 68 3.076 3.791 -13.783 1.00 0.00 C ATOM 938 NH1 ARG A 68 2.384 2.695 -13.621 1.00 0.00 N ATOM 939 NH2 ARG A 68 2.502 4.953 -13.623 1.00 0.00 N ATOM 0 H ARG A 68 7.125 3.426 -11.043 1.00 0.00 H new ATOM 0 HA ARG A 68 6.160 0.633 -11.391 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.927 2.541 -12.980 1.00 0.00 H new ATOM 0 HB3 ARG A 68 7.813 0.840 -13.387 1.00 0.00 H new ATOM 0 HG2 ARG A 68 6.139 2.009 -14.718 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.279 1.091 -13.497 1.00 0.00 H new ATOM 0 HD2 ARG A 68 4.849 3.034 -12.159 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.105 3.968 -12.946 1.00 0.00 H new ATOM 0 HE ARG A 68 4.644 4.018 -15.033 1.00 0.00 H new ATOM 0 HH11 ARG A 68 2.831 1.787 -13.746 1.00 0.00 H new ATOM 0 HH12 ARG A 68 1.397 2.748 -13.369 1.00 0.00 H new ATOM 0 HH21 ARG A 68 3.041 5.810 -13.750 1.00 0.00 H new ATOM 0 HH22 ARG A 68 1.515 5.004 -13.371 1.00 0.00 H new ATOM 953 N THR A 69 8.150 -0.525 -10.399 1.00 0.00 N ATOM 954 CA THR A 69 9.309 -1.188 -9.794 1.00 0.00 C ATOM 955 C THR A 69 9.832 -2.175 -10.834 1.00 0.00 C ATOM 956 O THR A 69 9.379 -3.301 -10.903 1.00 0.00 O ATOM 957 CB THR A 69 8.839 -1.922 -8.538 1.00 0.00 C ATOM 958 OG1 THR A 69 8.137 -3.100 -8.913 1.00 0.00 O ATOM 959 CG2 THR A 69 7.922 -1.012 -7.697 1.00 0.00 C ATOM 0 H THR A 69 7.309 -1.099 -10.456 1.00 0.00 H new ATOM 0 HA THR A 69 10.094 -0.487 -9.511 1.00 0.00 H new ATOM 0 HB THR A 69 9.708 -2.191 -7.938 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.757 -3.729 -9.337 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.595 -1.548 -6.806 1.00 0.00 H new ATOM 0 HG22 THR A 69 8.470 -0.117 -7.401 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.052 -0.726 -8.288 1.00 0.00 H new ATOM 967 N THR A 70 10.729 -1.714 -11.676 1.00 0.00 N ATOM 968 CA THR A 70 11.289 -2.549 -12.796 1.00 0.00 C ATOM 969 C THR A 70 11.208 -4.061 -12.492 1.00 0.00 C ATOM 970 O THR A 70 10.137 -4.633 -12.492 1.00 0.00 O ATOM 971 CB THR A 70 12.746 -2.136 -13.087 1.00 0.00 C ATOM 972 OG1 THR A 70 13.327 -3.070 -13.985 1.00 0.00 O ATOM 973 CG2 THR A 70 13.580 -2.084 -11.798 1.00 0.00 C ATOM 0 H THR A 70 11.108 -0.768 -11.634 1.00 0.00 H new ATOM 0 HA THR A 70 10.678 -2.365 -13.680 1.00 0.00 H new ATOM 0 HB THR A 70 12.738 -1.140 -13.529 1.00 0.00 H new ATOM 0 HG1 THR A 70 14.253 -2.810 -14.174 1.00 0.00 H new ATOM 0 HG21 THR A 70 14.602 -1.790 -12.037 1.00 0.00 H new ATOM 0 HG22 THR A 70 13.145 -1.357 -11.112 1.00 0.00 H new ATOM 0 HG23 THR A 70 13.586 -3.068 -11.329 1.00 0.00 H new ATOM 1125 N GLU A 82 12.834 -3.157 -7.997 1.00 0.00 N ATOM 1126 CA GLU A 82 12.595 -1.776 -7.487 1.00 0.00 C ATOM 1127 C GLU A 82 12.308 -0.789 -8.625 1.00 0.00 C ATOM 1128 O GLU A 82 12.303 -1.121 -9.794 1.00 0.00 O ATOM 1129 CB GLU A 82 13.832 -1.309 -6.719 1.00 0.00 C ATOM 1130 CG GLU A 82 13.408 -0.776 -5.348 1.00 0.00 C ATOM 1131 CD GLU A 82 14.518 0.109 -4.778 1.00 0.00 C ATOM 1132 OE1 GLU A 82 15.675 -0.188 -5.029 1.00 0.00 O ATOM 1133 OE2 GLU A 82 14.192 1.071 -4.101 1.00 0.00 O ATOM 0 HA GLU A 82 11.721 -1.802 -6.837 1.00 0.00 H new ATOM 0 HB2 GLU A 82 14.533 -2.135 -6.599 1.00 0.00 H new ATOM 0 HB3 GLU A 82 14.350 -0.531 -7.280 1.00 0.00 H new ATOM 0 HG2 GLU A 82 12.484 -0.205 -5.438 1.00 0.00 H new ATOM 0 HG3 GLU A 82 13.206 -1.605 -4.670 1.00 0.00 H new ATOM 1140 N PHE A 83 12.053 0.432 -8.249 1.00 0.00 N ATOM 1141 CA PHE A 83 11.744 1.516 -9.230 1.00 0.00 C ATOM 1142 C PHE A 83 12.511 1.328 -10.548 1.00 0.00 C ATOM 1143 O PHE A 83 11.986 0.856 -11.528 1.00 0.00 O ATOM 1144 CB PHE A 83 12.148 2.838 -8.616 1.00 0.00 C ATOM 1145 CG PHE A 83 10.923 3.641 -8.279 1.00 0.00 C ATOM 1146 CD1 PHE A 83 9.837 3.666 -9.152 1.00 0.00 C ATOM 1147 CD2 PHE A 83 10.881 4.364 -7.090 1.00 0.00 C ATOM 1148 CE1 PHE A 83 8.706 4.413 -8.837 1.00 0.00 C ATOM 1149 CE2 PHE A 83 9.749 5.114 -6.761 1.00 0.00 C ATOM 1150 CZ PHE A 83 8.646 5.140 -7.646 1.00 0.00 C ATOM 0 H PHE A 83 12.045 0.735 -7.275 1.00 0.00 H new ATOM 0 HA PHE A 83 10.678 1.487 -9.454 1.00 0.00 H new ATOM 0 HB2 PHE A 83 12.739 2.666 -7.717 1.00 0.00 H new ATOM 0 HB3 PHE A 83 12.778 3.394 -9.310 1.00 0.00 H new ATOM 0 HD1 PHE A 83 9.873 3.105 -10.074 1.00 0.00 H new ATOM 0 HD2 PHE A 83 11.727 4.345 -6.419 1.00 0.00 H new ATOM 0 HE1 PHE A 83 7.868 4.431 -9.519 1.00 0.00 H new ATOM 0 HE2 PHE A 83 9.716 5.671 -5.836 1.00 0.00 H new ATOM 0 HZ PHE A 83 7.766 5.717 -7.403 1.00 0.00 H new ATOM 1160 N HIS A 84 13.752 1.720 -10.577 1.00 0.00 N ATOM 1161 CA HIS A 84 14.562 1.576 -11.824 1.00 0.00 C ATOM 1162 C HIS A 84 15.968 2.101 -11.567 1.00 0.00 C ATOM 1163 O HIS A 84 16.419 3.051 -12.176 1.00 0.00 O ATOM 1164 CB HIS A 84 13.928 2.337 -12.974 1.00 0.00 C ATOM 1165 CG HIS A 84 13.690 1.398 -14.126 1.00 0.00 C ATOM 1166 ND1 HIS A 84 14.352 0.269 -14.541 1.00 0.00 N flip ATOM 1167 CD2 HIS A 84 12.648 1.576 -15.021 1.00 0.00 C flip ATOM 1168 CE1 HIS A 84 13.734 -0.248 -15.675 1.00 0.00 C flip ATOM 1169 NE2 HIS A 84 12.713 0.577 -15.923 1.00 0.00 N flip ATOM 0 H HIS A 84 14.246 2.137 -9.788 1.00 0.00 H new ATOM 0 HA HIS A 84 14.603 0.522 -12.099 1.00 0.00 H new ATOM 0 HB2 HIS A 84 12.986 2.783 -12.654 1.00 0.00 H new ATOM 0 HB3 HIS A 84 14.578 3.155 -13.286 1.00 0.00 H new ATOM 0 HD2 HIS A 84 11.917 2.371 -15.000 1.00 0.00 H new ATOM 0 HE1 HIS A 84 14.018 -1.127 -16.234 1.00 0.00 H new ATOM 0 HE2 HIS A 84 12.062 0.464 -16.700 1.00 0.00 H new ATOM 1177 N ASP A 85 16.661 1.472 -10.667 1.00 0.00 N ATOM 1178 CA ASP A 85 18.047 1.895 -10.343 1.00 0.00 C ATOM 1179 C ASP A 85 18.107 3.412 -10.122 1.00 0.00 C ATOM 1180 O ASP A 85 19.158 4.013 -10.220 1.00 0.00 O ATOM 1181 CB ASP A 85 18.977 1.515 -11.496 1.00 0.00 C ATOM 1182 CG ASP A 85 19.497 0.092 -11.288 1.00 0.00 C ATOM 1183 OD1 ASP A 85 20.433 -0.068 -10.521 1.00 0.00 O ATOM 1184 OD2 ASP A 85 18.952 -0.813 -11.897 1.00 0.00 O ATOM 0 H ASP A 85 16.322 0.671 -10.134 1.00 0.00 H new ATOM 0 HA ASP A 85 18.363 1.392 -9.429 1.00 0.00 H new ATOM 0 HB2 ASP A 85 18.444 1.583 -12.444 1.00 0.00 H new ATOM 0 HB3 ASP A 85 19.812 2.214 -11.549 1.00 0.00 H new ATOM 1189 N GLU A 86 17.000 4.043 -9.823 1.00 0.00 N ATOM 1190 CA GLU A 86 17.037 5.519 -9.603 1.00 0.00 C ATOM 1191 C GLU A 86 15.618 6.059 -9.352 1.00 0.00 C ATOM 1192 O GLU A 86 14.686 5.668 -10.029 1.00 0.00 O ATOM 1193 CB GLU A 86 17.621 6.195 -10.845 1.00 0.00 C ATOM 1194 CG GLU A 86 18.491 7.381 -10.426 1.00 0.00 C ATOM 1195 CD GLU A 86 19.950 7.098 -10.789 1.00 0.00 C ATOM 1196 OE1 GLU A 86 20.649 6.538 -9.960 1.00 0.00 O ATOM 1197 OE2 GLU A 86 20.344 7.448 -11.889 1.00 0.00 O ATOM 0 H GLU A 86 16.084 3.606 -9.723 1.00 0.00 H new ATOM 0 HA GLU A 86 17.656 5.734 -8.732 1.00 0.00 H new ATOM 0 HB2 GLU A 86 18.214 5.480 -11.415 1.00 0.00 H new ATOM 0 HB3 GLU A 86 16.817 6.534 -11.498 1.00 0.00 H new ATOM 0 HG2 GLU A 86 18.151 8.289 -10.924 1.00 0.00 H new ATOM 0 HG3 GLU A 86 18.399 7.552 -9.353 1.00 0.00 H new ATOM 1204 N PRO A 87 15.494 6.953 -8.393 1.00 0.00 N ATOM 1205 CA PRO A 87 14.195 7.594 -8.025 1.00 0.00 C ATOM 1206 C PRO A 87 13.954 8.845 -8.873 1.00 0.00 C ATOM 1207 O PRO A 87 12.841 9.149 -9.265 1.00 0.00 O ATOM 1208 CB PRO A 87 14.412 7.974 -6.565 1.00 0.00 C ATOM 1209 CG PRO A 87 15.918 8.110 -6.352 1.00 0.00 C ATOM 1210 CD PRO A 87 16.625 7.444 -7.539 1.00 0.00 C ATOM 0 HA PRO A 87 13.331 6.949 -8.184 1.00 0.00 H new ATOM 0 HB2 PRO A 87 13.905 8.910 -6.332 1.00 0.00 H new ATOM 0 HB3 PRO A 87 13.997 7.213 -5.904 1.00 0.00 H new ATOM 0 HG2 PRO A 87 16.200 9.161 -6.281 1.00 0.00 H new ATOM 0 HG3 PRO A 87 16.215 7.636 -5.416 1.00 0.00 H new ATOM 0 HD2 PRO A 87 17.256 8.151 -8.077 1.00 0.00 H new ATOM 0 HD3 PRO A 87 17.267 6.625 -7.215 1.00 0.00 H new ATOM 1218 N GLU A 88 15.011 9.561 -9.129 1.00 0.00 N ATOM 1219 CA GLU A 88 14.955 10.828 -9.921 1.00 0.00 C ATOM 1220 C GLU A 88 13.784 10.849 -10.906 1.00 0.00 C ATOM 1221 O GLU A 88 13.191 11.883 -11.139 1.00 0.00 O ATOM 1222 CB GLU A 88 16.262 10.985 -10.699 1.00 0.00 C ATOM 1223 CG GLU A 88 17.266 11.773 -9.857 1.00 0.00 C ATOM 1224 CD GLU A 88 18.669 11.201 -10.066 1.00 0.00 C ATOM 1225 OE1 GLU A 88 18.875 10.542 -11.072 1.00 0.00 O ATOM 1226 OE2 GLU A 88 19.513 11.433 -9.216 1.00 0.00 O ATOM 0 H GLU A 88 15.948 9.313 -8.811 1.00 0.00 H new ATOM 0 HA GLU A 88 14.812 11.651 -9.220 1.00 0.00 H new ATOM 0 HB2 GLU A 88 16.670 10.005 -10.947 1.00 0.00 H new ATOM 0 HB3 GLU A 88 16.077 11.501 -11.641 1.00 0.00 H new ATOM 0 HG2 GLU A 88 17.246 12.826 -10.139 1.00 0.00 H new ATOM 0 HG3 GLU A 88 16.994 11.720 -8.803 1.00 0.00 H new ATOM 1233 N LEU A 89 13.447 9.744 -11.508 1.00 0.00 N ATOM 1234 CA LEU A 89 12.323 9.776 -12.484 1.00 0.00 C ATOM 1235 C LEU A 89 11.761 8.373 -12.702 1.00 0.00 C ATOM 1236 O LEU A 89 11.544 7.958 -13.824 1.00 0.00 O ATOM 1237 CB LEU A 89 12.829 10.328 -13.822 1.00 0.00 C ATOM 1238 CG LEU A 89 14.319 10.016 -13.981 1.00 0.00 C ATOM 1239 CD1 LEU A 89 14.540 8.505 -13.877 1.00 0.00 C ATOM 1240 CD2 LEU A 89 14.802 10.509 -15.347 1.00 0.00 C ATOM 0 H LEU A 89 13.891 8.836 -11.371 1.00 0.00 H new ATOM 0 HA LEU A 89 11.534 10.415 -12.088 1.00 0.00 H new ATOM 0 HB2 LEU A 89 12.266 9.887 -14.644 1.00 0.00 H new ATOM 0 HB3 LEU A 89 12.667 11.405 -13.866 1.00 0.00 H new ATOM 0 HG LEU A 89 14.880 10.520 -13.194 1.00 0.00 H new ATOM 0 HD11 LEU A 89 15.601 8.284 -13.990 1.00 0.00 H new ATOM 0 HD12 LEU A 89 14.198 8.153 -12.904 1.00 0.00 H new ATOM 0 HD13 LEU A 89 13.978 8.000 -14.663 1.00 0.00 H new ATOM 0 HD21 LEU A 89 15.863 10.287 -15.460 1.00 0.00 H new ATOM 0 HD22 LEU A 89 14.240 10.007 -16.135 1.00 0.00 H new ATOM 0 HD23 LEU A 89 14.647 11.585 -15.421 1.00 0.00 H new ATOM 1252 N ALA A 90 11.510 7.629 -11.656 1.00 0.00 N ATOM 1253 CA ALA A 90 10.952 6.263 -11.865 1.00 0.00 C ATOM 1254 C ALA A 90 9.419 6.331 -11.918 1.00 0.00 C ATOM 1255 O ALA A 90 8.729 5.423 -11.499 1.00 0.00 O ATOM 1256 CB ALA A 90 11.385 5.341 -10.728 1.00 0.00 C ATOM 0 H ALA A 90 11.664 7.902 -10.685 1.00 0.00 H new ATOM 0 HA ALA A 90 11.329 5.867 -12.808 1.00 0.00 H new ATOM 0 HB1 ALA A 90 10.972 4.345 -10.890 1.00 0.00 H new ATOM 0 HB2 ALA A 90 12.473 5.283 -10.701 1.00 0.00 H new ATOM 0 HB3 ALA A 90 11.019 5.736 -9.780 1.00 0.00 H new ATOM 1262 N LYS A 91 8.892 7.420 -12.410 1.00 0.00 N ATOM 1263 CA LYS A 91 7.433 7.620 -12.485 1.00 0.00 C ATOM 1264 C LYS A 91 6.800 7.355 -11.146 1.00 0.00 C ATOM 1265 O LYS A 91 7.392 6.814 -10.235 1.00 0.00 O ATOM 1266 CB LYS A 91 6.748 6.726 -13.491 1.00 0.00 C ATOM 1267 CG LYS A 91 7.764 6.173 -14.493 1.00 0.00 C ATOM 1268 CD LYS A 91 7.083 5.966 -15.848 1.00 0.00 C ATOM 1269 CE LYS A 91 8.032 5.219 -16.787 1.00 0.00 C ATOM 1270 NZ LYS A 91 7.441 3.898 -17.143 1.00 0.00 N ATOM 0 H LYS A 91 9.440 8.200 -12.773 1.00 0.00 H new ATOM 0 HA LYS A 91 7.301 8.655 -12.800 1.00 0.00 H new ATOM 0 HB2 LYS A 91 6.250 5.904 -12.977 1.00 0.00 H new ATOM 0 HB3 LYS A 91 5.976 7.286 -14.018 1.00 0.00 H new ATOM 0 HG2 LYS A 91 8.601 6.863 -14.596 1.00 0.00 H new ATOM 0 HG3 LYS A 91 8.171 5.229 -14.131 1.00 0.00 H new ATOM 0 HD2 LYS A 91 6.160 5.400 -15.721 1.00 0.00 H new ATOM 0 HD3 LYS A 91 6.809 6.928 -16.280 1.00 0.00 H new ATOM 0 HE2 LYS A 91 8.206 5.806 -17.689 1.00 0.00 H new ATOM 0 HE3 LYS A 91 9.000 5.079 -16.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 8.086 3.390 -17.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 7.297 3.338 -16.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 6.527 4.043 -17.618 1.00 0.00 H new ATOM 1284 N TYR A 92 5.601 7.789 -11.039 1.00 0.00 N ATOM 1285 CA TYR A 92 4.846 7.672 -9.796 1.00 0.00 C ATOM 1286 C TYR A 92 3.359 7.870 -10.098 1.00 0.00 C ATOM 1287 O TYR A 92 2.963 8.179 -11.205 1.00 0.00 O ATOM 1288 CB TYR A 92 5.316 8.808 -8.912 1.00 0.00 C ATOM 1289 CG TYR A 92 6.811 8.716 -8.693 1.00 0.00 C ATOM 1290 CD1 TYR A 92 7.692 9.348 -9.581 1.00 0.00 C ATOM 1291 CD2 TYR A 92 7.321 7.983 -7.616 1.00 0.00 C ATOM 1292 CE1 TYR A 92 9.074 9.243 -9.398 1.00 0.00 C ATOM 1293 CE2 TYR A 92 8.704 7.882 -7.431 1.00 0.00 C ATOM 1294 CZ TYR A 92 9.581 8.509 -8.323 1.00 0.00 C ATOM 1295 OH TYR A 92 10.943 8.408 -8.136 1.00 0.00 O ATOM 0 H TYR A 92 5.091 8.241 -11.798 1.00 0.00 H new ATOM 0 HA TYR A 92 4.992 6.700 -9.325 1.00 0.00 H new ATOM 0 HB2 TYR A 92 5.067 9.764 -9.373 1.00 0.00 H new ATOM 0 HB3 TYR A 92 4.798 8.771 -7.954 1.00 0.00 H new ATOM 0 HD1 TYR A 92 7.301 9.919 -10.411 1.00 0.00 H new ATOM 0 HD2 TYR A 92 6.647 7.495 -6.927 1.00 0.00 H new ATOM 0 HE1 TYR A 92 9.749 9.729 -10.087 1.00 0.00 H new ATOM 0 HE2 TYR A 92 9.096 7.318 -6.597 1.00 0.00 H new ATOM 0 HH TYR A 92 11.397 9.104 -8.655 1.00 0.00 H new ATOM 1305 N THR A 93 2.552 7.710 -9.104 1.00 0.00 N ATOM 1306 CA THR A 93 1.089 7.892 -9.250 1.00 0.00 C ATOM 1307 C THR A 93 0.510 8.002 -7.835 1.00 0.00 C ATOM 1308 O THR A 93 0.982 7.365 -6.917 1.00 0.00 O ATOM 1309 CB THR A 93 0.508 6.706 -10.017 1.00 0.00 C ATOM 1310 OG1 THR A 93 -0.641 7.122 -10.741 1.00 0.00 O ATOM 1311 CG2 THR A 93 0.132 5.588 -9.056 1.00 0.00 C ATOM 0 H THR A 93 2.852 7.452 -8.164 1.00 0.00 H new ATOM 0 HA THR A 93 0.840 8.791 -9.814 1.00 0.00 H new ATOM 0 HB THR A 93 1.260 6.333 -10.712 1.00 0.00 H new ATOM 0 HG1 THR A 93 -1.011 6.360 -11.234 1.00 0.00 H new ATOM 0 HG21 THR A 93 -0.281 4.749 -9.617 1.00 0.00 H new ATOM 0 HG22 THR A 93 1.019 5.260 -8.514 1.00 0.00 H new ATOM 0 HG23 THR A 93 -0.612 5.952 -8.348 1.00 0.00 H new ATOM 1319 N THR A 94 -0.470 8.827 -7.641 1.00 0.00 N ATOM 1320 CA THR A 94 -1.020 9.011 -6.264 1.00 0.00 C ATOM 1321 C THR A 94 -2.238 8.133 -6.014 1.00 0.00 C ATOM 1322 O THR A 94 -3.272 8.291 -6.633 1.00 0.00 O ATOM 1323 CB THR A 94 -1.409 10.478 -6.073 1.00 0.00 C ATOM 1324 OG1 THR A 94 -0.272 11.301 -6.299 1.00 0.00 O ATOM 1325 CG2 THR A 94 -1.920 10.693 -4.648 1.00 0.00 C ATOM 0 H THR A 94 -0.918 9.384 -8.369 1.00 0.00 H new ATOM 0 HA THR A 94 -0.248 8.719 -5.552 1.00 0.00 H new ATOM 0 HB THR A 94 -2.195 10.740 -6.781 1.00 0.00 H new ATOM 0 HG1 THR A 94 -0.520 12.241 -6.179 1.00 0.00 H new ATOM 0 HG21 THR A 94 -2.196 11.739 -4.515 1.00 0.00 H new ATOM 0 HG22 THR A 94 -2.792 10.062 -4.475 1.00 0.00 H new ATOM 0 HG23 THR A 94 -1.136 10.431 -3.937 1.00 0.00 H new ATOM 1333 N CYS A 95 -2.130 7.222 -5.084 1.00 0.00 N ATOM 1334 CA CYS A 95 -3.295 6.353 -4.773 1.00 0.00 C ATOM 1335 C CYS A 95 -3.500 6.285 -3.260 1.00 0.00 C ATOM 1336 O CYS A 95 -2.585 6.519 -2.475 1.00 0.00 O ATOM 1337 CB CYS A 95 -3.044 4.955 -5.304 1.00 0.00 C ATOM 1338 SG CYS A 95 -4.542 3.958 -5.101 1.00 0.00 S ATOM 0 H CYS A 95 -1.291 7.045 -4.532 1.00 0.00 H new ATOM 0 HA CYS A 95 -4.186 6.770 -5.243 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -2.762 4.999 -6.356 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -2.212 4.495 -4.770 1.00 0.00 H new ATOM 1343 N THR A 96 -4.700 5.960 -2.856 1.00 0.00 N ATOM 1344 CA THR A 96 -5.016 5.860 -1.407 1.00 0.00 C ATOM 1345 C THR A 96 -5.697 4.515 -1.120 1.00 0.00 C ATOM 1346 O THR A 96 -6.533 4.056 -1.877 1.00 0.00 O ATOM 1347 CB THR A 96 -5.966 6.994 -1.012 1.00 0.00 C ATOM 1348 OG1 THR A 96 -5.491 8.218 -1.557 1.00 0.00 O ATOM 1349 CG2 THR A 96 -6.035 7.102 0.513 1.00 0.00 C ATOM 0 H THR A 96 -5.482 5.758 -3.479 1.00 0.00 H new ATOM 0 HA THR A 96 -4.093 5.934 -0.833 1.00 0.00 H new ATOM 0 HB THR A 96 -6.962 6.785 -1.401 1.00 0.00 H new ATOM 0 HG1 THR A 96 -6.099 8.945 -1.307 1.00 0.00 H new ATOM 0 HG21 THR A 96 -6.712 7.910 0.790 1.00 0.00 H new ATOM 0 HG22 THR A 96 -6.401 6.163 0.928 1.00 0.00 H new ATOM 0 HG23 THR A 96 -5.041 7.310 0.908 1.00 0.00 H new ATOM 1357 N PHE A 97 -5.344 3.888 -0.028 1.00 0.00 N ATOM 1358 CA PHE A 97 -5.957 2.580 0.336 1.00 0.00 C ATOM 1359 C PHE A 97 -6.811 2.751 1.589 1.00 0.00 C ATOM 1360 O PHE A 97 -6.393 3.367 2.549 1.00 0.00 O ATOM 1361 CB PHE A 97 -4.861 1.564 0.656 1.00 0.00 C ATOM 1362 CG PHE A 97 -3.828 1.509 -0.457 1.00 0.00 C ATOM 1363 CD1 PHE A 97 -4.116 1.997 -1.743 1.00 0.00 C ATOM 1364 CD2 PHE A 97 -2.577 0.928 -0.210 1.00 0.00 C ATOM 1365 CE1 PHE A 97 -3.163 1.901 -2.753 1.00 0.00 C ATOM 1366 CE2 PHE A 97 -1.630 0.844 -1.219 1.00 0.00 C ATOM 1367 CZ PHE A 97 -1.916 1.324 -2.492 1.00 0.00 C ATOM 0 H PHE A 97 -4.648 4.233 0.634 1.00 0.00 H new ATOM 0 HA PHE A 97 -6.563 2.234 -0.501 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -4.376 1.831 1.595 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -5.304 0.578 0.795 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -5.077 2.446 -1.948 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -2.349 0.543 0.773 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -3.387 2.273 -3.742 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -0.665 0.403 -1.015 1.00 0.00 H new ATOM 0 HZ PHE A 97 -1.178 1.252 -3.277 1.00 0.00 H new ATOM 1377 N VAL A 98 -7.992 2.193 1.615 1.00 0.00 N ATOM 1378 CA VAL A 98 -8.823 2.324 2.842 1.00 0.00 C ATOM 1379 C VAL A 98 -9.216 0.915 3.299 1.00 0.00 C ATOM 1380 O VAL A 98 -9.935 0.212 2.616 1.00 0.00 O ATOM 1381 CB VAL A 98 -10.052 3.182 2.525 1.00 0.00 C ATOM 1382 CG1 VAL A 98 -11.218 2.811 3.447 1.00 0.00 C ATOM 1383 CG2 VAL A 98 -9.698 4.657 2.728 1.00 0.00 C ATOM 0 H VAL A 98 -8.410 1.661 0.852 1.00 0.00 H new ATOM 0 HA VAL A 98 -8.275 2.815 3.646 1.00 0.00 H new ATOM 0 HB VAL A 98 -10.351 3.005 1.492 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -12.082 3.430 3.208 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -11.474 1.761 3.306 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -10.929 2.977 4.485 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -10.568 5.274 2.504 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -9.394 4.819 3.762 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -8.879 4.930 2.062 1.00 0.00 H new ATOM 1393 N VAL A 99 -8.716 0.478 4.427 1.00 0.00 N ATOM 1394 CA VAL A 99 -9.032 -0.901 4.887 1.00 0.00 C ATOM 1395 C VAL A 99 -9.596 -0.913 6.303 1.00 0.00 C ATOM 1396 O VAL A 99 -9.014 -0.392 7.226 1.00 0.00 O ATOM 1397 CB VAL A 99 -7.752 -1.745 4.845 1.00 0.00 C ATOM 1398 CG1 VAL A 99 -7.860 -2.906 5.839 1.00 0.00 C ATOM 1399 CG2 VAL A 99 -7.582 -2.273 3.431 1.00 0.00 C ATOM 0 H VAL A 99 -8.107 1.015 5.044 1.00 0.00 H new ATOM 0 HA VAL A 99 -9.791 -1.315 4.223 1.00 0.00 H new ATOM 0 HB VAL A 99 -6.888 -1.141 5.122 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -6.948 -3.501 5.804 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -7.997 -2.511 6.846 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -8.712 -3.532 5.576 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -6.677 -2.878 3.375 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -8.444 -2.885 3.165 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -7.503 -1.436 2.737 1.00 0.00 H new ATOM 1409 N TYR A 100 -10.701 -1.567 6.487 1.00 0.00 N ATOM 1410 CA TYR A 100 -11.271 -1.661 7.849 1.00 0.00 C ATOM 1411 C TYR A 100 -10.693 -2.913 8.518 1.00 0.00 C ATOM 1412 O TYR A 100 -10.728 -3.987 7.950 1.00 0.00 O ATOM 1413 CB TYR A 100 -12.790 -1.761 7.760 1.00 0.00 C ATOM 1414 CG TYR A 100 -13.408 -0.970 8.881 1.00 0.00 C ATOM 1415 CD1 TYR A 100 -13.187 0.409 8.957 1.00 0.00 C ATOM 1416 CD2 TYR A 100 -14.198 -1.608 9.842 1.00 0.00 C ATOM 1417 CE1 TYR A 100 -13.753 1.152 9.994 1.00 0.00 C ATOM 1418 CE2 TYR A 100 -14.766 -0.866 10.879 1.00 0.00 C ATOM 1419 CZ TYR A 100 -14.543 0.515 10.959 1.00 0.00 C ATOM 1420 OH TYR A 100 -15.104 1.246 11.984 1.00 0.00 O ATOM 0 H TYR A 100 -11.232 -2.039 5.755 1.00 0.00 H new ATOM 0 HA TYR A 100 -11.019 -0.777 8.435 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -13.135 -1.381 6.798 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -13.101 -2.804 7.821 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -12.578 0.899 8.212 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -14.368 -2.673 9.782 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -13.582 2.217 10.052 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -15.378 -1.357 11.621 1.00 0.00 H new ATOM 0 HH TYR A 100 -15.862 0.752 12.362 1.00 0.00 H new ATOM 1430 N SER A 101 -10.129 -2.798 9.694 1.00 0.00 N ATOM 1431 CA SER A 101 -9.533 -3.991 10.331 1.00 0.00 C ATOM 1432 C SER A 101 -10.193 -4.223 11.705 1.00 0.00 C ATOM 1433 O SER A 101 -9.889 -3.555 12.676 1.00 0.00 O ATOM 1434 CB SER A 101 -8.022 -3.735 10.456 1.00 0.00 C ATOM 1435 OG SER A 101 -7.778 -2.339 10.436 1.00 0.00 O ATOM 0 H SER A 101 -10.060 -1.933 10.230 1.00 0.00 H new ATOM 0 HA SER A 101 -9.698 -4.891 9.739 1.00 0.00 H new ATOM 0 HB2 SER A 101 -7.644 -4.168 11.382 1.00 0.00 H new ATOM 0 HB3 SER A 101 -7.491 -4.220 9.637 1.00 0.00 H new ATOM 0 HG SER A 101 -6.841 -2.174 10.200 1.00 0.00 H new ATOM 1441 N ILE A 102 -11.109 -5.164 11.782 1.00 0.00 N ATOM 1442 CA ILE A 102 -11.807 -5.467 13.072 1.00 0.00 C ATOM 1443 C ILE A 102 -10.875 -6.339 13.939 1.00 0.00 C ATOM 1444 O ILE A 102 -10.633 -7.482 13.609 1.00 0.00 O ATOM 1445 CB ILE A 102 -13.090 -6.242 12.752 1.00 0.00 C ATOM 1446 CG1 ILE A 102 -13.716 -5.641 11.478 1.00 0.00 C ATOM 1447 CG2 ILE A 102 -14.062 -6.131 13.931 1.00 0.00 C ATOM 1448 CD1 ILE A 102 -15.242 -5.797 11.491 1.00 0.00 C ATOM 0 H ILE A 102 -11.404 -5.741 10.994 1.00 0.00 H new ATOM 0 HA ILE A 102 -12.053 -4.550 13.608 1.00 0.00 H new ATOM 0 HB ILE A 102 -12.868 -7.296 12.587 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -13.455 -4.585 11.403 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -13.304 -6.134 10.598 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -14.974 -6.682 13.703 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -13.599 -6.549 14.825 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -14.305 -5.083 14.105 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -15.660 -5.365 10.582 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -15.499 -6.855 11.542 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -15.653 -5.282 12.359 1.00 0.00 H new ATOM 1460 N PRO A 103 -10.356 -5.777 15.008 1.00 0.00 N ATOM 1461 CA PRO A 103 -9.407 -6.489 15.933 1.00 0.00 C ATOM 1462 C PRO A 103 -10.067 -7.649 16.695 1.00 0.00 C ATOM 1463 O PRO A 103 -9.567 -8.756 16.685 1.00 0.00 O ATOM 1464 CB PRO A 103 -8.955 -5.387 16.886 1.00 0.00 C ATOM 1465 CG PRO A 103 -10.030 -4.315 16.848 1.00 0.00 C ATOM 1466 CD PRO A 103 -10.640 -4.371 15.450 1.00 0.00 C ATOM 0 HA PRO A 103 -8.588 -6.962 15.391 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -8.830 -5.775 17.897 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -7.991 -4.981 16.580 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -10.787 -4.496 17.610 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -9.606 -3.331 17.048 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -11.710 -4.163 15.469 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -10.185 -3.639 14.782 1.00 0.00 H new ATOM 1474 N TRP A 104 -11.156 -7.421 17.380 1.00 0.00 N ATOM 1475 CA TRP A 104 -11.783 -8.545 18.147 1.00 0.00 C ATOM 1476 C TRP A 104 -12.099 -9.735 17.226 1.00 0.00 C ATOM 1477 O TRP A 104 -12.446 -10.802 17.694 1.00 0.00 O ATOM 1478 CB TRP A 104 -13.074 -8.068 18.832 1.00 0.00 C ATOM 1479 CG TRP A 104 -14.146 -7.799 17.817 1.00 0.00 C ATOM 1480 CD1 TRP A 104 -14.928 -8.738 17.226 1.00 0.00 C ATOM 1481 CD2 TRP A 104 -14.583 -6.518 17.284 1.00 0.00 C ATOM 1482 NE1 TRP A 104 -15.797 -8.111 16.352 1.00 0.00 N ATOM 1483 CE2 TRP A 104 -15.623 -6.743 16.351 1.00 0.00 C ATOM 1484 CE3 TRP A 104 -14.175 -5.194 17.513 1.00 0.00 C ATOM 1485 CZ2 TRP A 104 -16.234 -5.692 15.669 1.00 0.00 C ATOM 1486 CZ3 TRP A 104 -14.788 -4.134 16.831 1.00 0.00 C ATOM 1487 CH2 TRP A 104 -15.817 -4.382 15.908 1.00 0.00 C ATOM 0 H TRP A 104 -11.634 -6.522 17.444 1.00 0.00 H new ATOM 0 HA TRP A 104 -11.070 -8.871 18.904 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -13.417 -8.824 19.539 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -12.874 -7.163 19.405 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -14.879 -9.801 17.409 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -16.483 -8.601 15.778 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -13.384 -4.991 18.219 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -17.025 -5.890 14.961 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -14.467 -3.120 17.017 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -16.284 -3.561 15.385 1.00 0.00 H new ATOM 1498 N LEU A 105 -12.026 -9.567 15.932 1.00 0.00 N ATOM 1499 CA LEU A 105 -12.366 -10.666 15.014 1.00 0.00 C ATOM 1500 C LEU A 105 -11.321 -10.764 13.900 1.00 0.00 C ATOM 1501 O LEU A 105 -11.519 -11.458 12.923 1.00 0.00 O ATOM 1502 CB LEU A 105 -13.681 -10.268 14.415 1.00 0.00 C ATOM 1503 CG LEU A 105 -14.769 -11.324 14.602 1.00 0.00 C ATOM 1504 CD1 LEU A 105 -14.695 -12.348 13.467 1.00 0.00 C ATOM 1505 CD2 LEU A 105 -14.618 -12.036 15.951 1.00 0.00 C ATOM 0 H LEU A 105 -11.740 -8.700 15.477 1.00 0.00 H new ATOM 0 HA LEU A 105 -12.403 -11.628 15.525 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -14.010 -9.332 14.866 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -13.546 -10.079 13.350 1.00 0.00 H new ATOM 0 HG LEU A 105 -15.738 -10.825 14.584 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -15.472 -13.100 13.604 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -14.842 -11.844 12.512 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -13.718 -12.831 13.476 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -15.405 -12.782 16.059 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -13.645 -12.525 15.997 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -14.696 -11.307 16.758 1.00 0.00 H new ATOM 1517 N ASN A 106 -10.214 -10.079 14.047 1.00 0.00 N ATOM 1518 CA ASN A 106 -9.146 -10.116 13.013 1.00 0.00 C ATOM 1519 C ASN A 106 -9.760 -10.260 11.623 1.00 0.00 C ATOM 1520 O ASN A 106 -9.429 -11.151 10.866 1.00 0.00 O ATOM 1521 CB ASN A 106 -8.229 -11.283 13.319 1.00 0.00 C ATOM 1522 CG ASN A 106 -6.878 -11.076 12.629 1.00 0.00 C ATOM 1523 OD1 ASN A 106 -6.686 -11.498 11.507 1.00 0.00 O ATOM 1524 ND2 ASN A 106 -5.931 -10.436 13.258 1.00 0.00 N ATOM 0 H ASN A 106 -10.007 -9.489 14.853 1.00 0.00 H new ATOM 0 HA ASN A 106 -8.576 -9.187 13.028 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -8.088 -11.373 14.396 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -8.683 -12.213 12.978 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -5.028 -10.290 12.807 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -6.094 -10.082 14.201 1.00 0.00 H new ATOM 1531 N GLN A 107 -10.660 -9.378 11.289 1.00 0.00 N ATOM 1532 CA GLN A 107 -11.317 -9.437 9.956 1.00 0.00 C ATOM 1533 C GLN A 107 -10.991 -8.163 9.177 1.00 0.00 C ATOM 1534 O GLN A 107 -11.539 -7.109 9.430 1.00 0.00 O ATOM 1535 CB GLN A 107 -12.831 -9.555 10.139 1.00 0.00 C ATOM 1536 CG GLN A 107 -13.487 -9.857 8.790 1.00 0.00 C ATOM 1537 CD GLN A 107 -13.134 -11.281 8.358 1.00 0.00 C ATOM 1538 OE1 GLN A 107 -13.529 -12.237 8.996 1.00 0.00 O ATOM 1539 NE2 GLN A 107 -12.404 -11.466 7.292 1.00 0.00 N ATOM 0 H GLN A 107 -10.970 -8.613 11.888 1.00 0.00 H new ATOM 0 HA GLN A 107 -10.952 -10.304 9.405 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -13.061 -10.346 10.852 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -13.231 -8.629 10.551 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -14.569 -9.747 8.867 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -13.146 -9.143 8.040 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -12.072 -10.664 6.756 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -12.166 -12.412 6.995 1.00 0.00 H new ATOM 1548 N ILE A 108 -10.097 -8.256 8.235 1.00 0.00 N ATOM 1549 CA ILE A 108 -9.721 -7.060 7.433 1.00 0.00 C ATOM 1550 C ILE A 108 -10.599 -7.009 6.177 1.00 0.00 C ATOM 1551 O ILE A 108 -11.028 -8.027 5.666 1.00 0.00 O ATOM 1552 CB ILE A 108 -8.226 -7.171 7.076 1.00 0.00 C ATOM 1553 CG1 ILE A 108 -7.431 -6.137 7.882 1.00 0.00 C ATOM 1554 CG2 ILE A 108 -7.989 -6.956 5.572 1.00 0.00 C ATOM 1555 CD1 ILE A 108 -6.060 -5.901 7.246 1.00 0.00 C ATOM 0 H ILE A 108 -9.607 -9.115 7.984 1.00 0.00 H new ATOM 0 HA ILE A 108 -9.879 -6.138 7.993 1.00 0.00 H new ATOM 0 HB ILE A 108 -7.888 -8.177 7.327 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -7.984 -5.199 7.927 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -7.308 -6.484 8.908 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -6.924 -7.041 5.356 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -8.536 -7.710 5.006 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -8.339 -5.964 5.287 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -5.509 -5.164 7.831 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -5.503 -6.838 7.225 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -6.190 -5.533 6.228 1.00 0.00 H new ATOM 1567 N LYS A 109 -10.873 -5.837 5.674 1.00 0.00 N ATOM 1568 CA LYS A 109 -11.724 -5.734 4.457 1.00 0.00 C ATOM 1569 C LYS A 109 -11.291 -4.529 3.621 1.00 0.00 C ATOM 1570 O LYS A 109 -11.177 -3.424 4.119 1.00 0.00 O ATOM 1571 CB LYS A 109 -13.186 -5.566 4.872 1.00 0.00 C ATOM 1572 CG LYS A 109 -14.079 -5.613 3.631 1.00 0.00 C ATOM 1573 CD LYS A 109 -15.414 -6.271 3.989 1.00 0.00 C ATOM 1574 CE LYS A 109 -16.530 -5.229 3.915 1.00 0.00 C ATOM 1575 NZ LYS A 109 -16.775 -4.864 2.491 1.00 0.00 N ATOM 0 H LYS A 109 -10.545 -4.948 6.053 1.00 0.00 H new ATOM 0 HA LYS A 109 -11.613 -6.641 3.863 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -13.470 -6.356 5.567 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -13.320 -4.618 5.394 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -14.248 -4.605 3.253 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -13.587 -6.173 2.836 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -15.622 -7.092 3.304 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -15.365 -6.697 4.991 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -17.442 -5.625 4.362 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -16.253 -4.343 4.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -17.738 -4.485 2.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -16.087 -4.143 2.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -16.672 -5.709 1.893 1.00 0.00 H new ATOM 1589 N LEU A 110 -11.051 -4.731 2.352 1.00 0.00 N ATOM 1590 CA LEU A 110 -10.629 -3.598 1.481 1.00 0.00 C ATOM 1591 C LEU A 110 -11.795 -2.631 1.312 1.00 0.00 C ATOM 1592 O LEU A 110 -12.935 -2.981 1.539 1.00 0.00 O ATOM 1593 CB LEU A 110 -10.192 -4.135 0.120 1.00 0.00 C ATOM 1594 CG LEU A 110 -9.315 -3.097 -0.587 1.00 0.00 C ATOM 1595 CD1 LEU A 110 -8.346 -2.469 0.414 1.00 0.00 C ATOM 1596 CD2 LEU A 110 -8.517 -3.785 -1.686 1.00 0.00 C ATOM 0 H LEU A 110 -11.129 -5.633 1.882 1.00 0.00 H new ATOM 0 HA LEU A 110 -9.791 -3.073 1.940 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -9.640 -5.066 0.246 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -11.066 -4.363 -0.490 1.00 0.00 H new ATOM 0 HG LEU A 110 -9.949 -2.320 -1.014 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -7.725 -1.732 -0.094 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -8.910 -1.982 1.210 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -7.711 -3.245 0.842 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -7.890 -3.052 -2.194 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -7.887 -4.560 -1.248 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -9.201 -4.237 -2.404 1.00 0.00 H new ATOM 1608 N LEU A 111 -11.531 -1.408 0.931 1.00 0.00 N ATOM 1609 CA LEU A 111 -12.660 -0.451 0.782 1.00 0.00 C ATOM 1610 C LEU A 111 -12.337 0.630 -0.246 1.00 0.00 C ATOM 1611 O LEU A 111 -12.680 0.525 -1.407 1.00 0.00 O ATOM 1612 CB LEU A 111 -12.940 0.208 2.135 1.00 0.00 C ATOM 1613 CG LEU A 111 -13.996 -0.600 2.891 1.00 0.00 C ATOM 1614 CD1 LEU A 111 -13.346 -1.302 4.084 1.00 0.00 C ATOM 1615 CD2 LEU A 111 -15.097 0.340 3.389 1.00 0.00 C ATOM 0 H LEU A 111 -10.603 -1.039 0.721 1.00 0.00 H new ATOM 0 HA LEU A 111 -13.535 -1.001 0.437 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -12.022 0.264 2.720 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -13.287 1.231 1.988 1.00 0.00 H new ATOM 0 HG LEU A 111 -14.429 -1.346 2.224 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -14.099 -1.877 4.622 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -12.562 -1.972 3.729 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -12.912 -0.558 4.752 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -15.850 -0.235 3.928 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -14.664 1.086 4.056 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -15.562 0.839 2.539 1.00 0.00 H new ATOM 1627 N GLU A 112 -11.726 1.688 0.187 1.00 0.00 N ATOM 1628 CA GLU A 112 -11.426 2.813 -0.747 1.00 0.00 C ATOM 1629 C GLU A 112 -9.987 2.763 -1.280 1.00 0.00 C ATOM 1630 O GLU A 112 -9.167 3.601 -0.959 1.00 0.00 O ATOM 1631 CB GLU A 112 -11.651 4.145 -0.027 1.00 0.00 C ATOM 1632 CG GLU A 112 -12.585 5.026 -0.860 1.00 0.00 C ATOM 1633 CD GLU A 112 -12.624 6.434 -0.263 1.00 0.00 C ATOM 1634 OE1 GLU A 112 -13.368 6.636 0.681 1.00 0.00 O ATOM 1635 OE2 GLU A 112 -11.909 7.288 -0.763 1.00 0.00 O ATOM 0 H GLU A 112 -11.418 1.829 1.149 1.00 0.00 H new ATOM 0 HA GLU A 112 -12.097 2.717 -1.600 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -12.083 3.969 0.958 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -10.699 4.652 0.128 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -12.239 5.067 -1.893 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -13.587 4.598 -0.876 1.00 0.00 H new ATOM 1642 N SER A 113 -9.693 1.827 -2.141 1.00 0.00 N ATOM 1643 CA SER A 113 -8.334 1.764 -2.758 1.00 0.00 C ATOM 1644 C SER A 113 -8.456 2.452 -4.118 1.00 0.00 C ATOM 1645 O SER A 113 -8.709 1.821 -5.125 1.00 0.00 O ATOM 1646 CB SER A 113 -7.913 0.304 -2.949 1.00 0.00 C ATOM 1647 OG SER A 113 -9.070 -0.510 -3.075 1.00 0.00 O ATOM 0 H SER A 113 -10.338 1.098 -2.446 1.00 0.00 H new ATOM 0 HA SER A 113 -7.586 2.247 -2.129 1.00 0.00 H new ATOM 0 HB2 SER A 113 -7.289 0.208 -3.838 1.00 0.00 H new ATOM 0 HB3 SER A 113 -7.313 -0.027 -2.101 1.00 0.00 H new ATOM 0 HG SER A 113 -8.807 -1.411 -3.356 1.00 0.00 H new ATOM 1653 N LYS A 114 -8.334 3.750 -4.144 1.00 0.00 N ATOM 1654 CA LYS A 114 -8.508 4.488 -5.435 1.00 0.00 C ATOM 1655 C LYS A 114 -7.188 5.088 -5.910 1.00 0.00 C ATOM 1656 O LYS A 114 -6.537 5.825 -5.203 1.00 0.00 O ATOM 1657 CB LYS A 114 -9.526 5.613 -5.233 1.00 0.00 C ATOM 1658 CG LYS A 114 -10.606 5.529 -6.314 1.00 0.00 C ATOM 1659 CD LYS A 114 -11.767 6.453 -5.946 1.00 0.00 C ATOM 1660 CE LYS A 114 -13.078 5.865 -6.474 1.00 0.00 C ATOM 1661 NZ LYS A 114 -13.851 6.925 -7.179 1.00 0.00 N ATOM 0 H LYS A 114 -8.123 4.333 -3.334 1.00 0.00 H new ATOM 0 HA LYS A 114 -8.858 3.785 -6.191 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -9.979 5.534 -4.245 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -9.027 6.581 -5.278 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -10.191 5.815 -7.281 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -10.960 4.503 -6.410 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -11.820 6.573 -4.864 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -11.605 7.444 -6.369 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -12.870 5.039 -7.154 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -13.665 5.460 -5.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -14.742 6.525 -7.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -14.061 7.700 -6.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -13.291 7.292 -7.975 1.00 0.00 H new ATOM 1675 N CYS A 115 -6.798 4.789 -7.119 1.00 0.00 N ATOM 1676 CA CYS A 115 -5.527 5.345 -7.655 1.00 0.00 C ATOM 1677 C CYS A 115 -5.824 6.250 -8.851 1.00 0.00 C ATOM 1678 O CYS A 115 -6.461 5.846 -9.804 1.00 0.00 O ATOM 1679 CB CYS A 115 -4.629 4.190 -8.093 1.00 0.00 C ATOM 1680 SG CYS A 115 -4.678 2.909 -6.820 1.00 0.00 S ATOM 0 H CYS A 115 -7.308 4.181 -7.760 1.00 0.00 H new ATOM 0 HA CYS A 115 -5.026 5.930 -6.884 1.00 0.00 H new ATOM 0 HB2 CYS A 115 -4.968 3.788 -9.048 1.00 0.00 H new ATOM 0 HB3 CYS A 115 -3.607 4.540 -8.239 1.00 0.00 H new ATOM 1685 N GLN A 116 -5.367 7.471 -8.812 1.00 0.00 N ATOM 1686 CA GLN A 116 -5.622 8.399 -9.949 1.00 0.00 C ATOM 1687 C GLN A 116 -4.306 8.684 -10.678 1.00 0.00 C ATOM 1688 CB GLN A 116 -6.216 9.713 -9.413 1.00 0.00 C ATOM 1689 CG GLN A 116 -5.107 10.561 -8.782 1.00 0.00 C ATOM 1690 CD GLN A 116 -5.652 11.273 -7.542 1.00 0.00 C ATOM 1691 OE1 GLN A 116 -5.072 11.191 -6.476 1.00 0.00 O ATOM 1692 NE2 GLN A 116 -6.749 11.973 -7.636 1.00 0.00 N ATOM 0 H GLN A 116 -4.828 7.866 -8.042 1.00 0.00 H new ATOM 0 HA GLN A 116 -6.327 7.943 -10.644 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -6.693 10.265 -10.223 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -6.989 9.500 -8.674 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -4.262 9.929 -8.509 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -4.739 11.292 -9.502 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -7.235 12.042 -8.530 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -7.120 12.452 -6.815 1.00 0.00 H new