USER MOD reduce.3.24.130724 H: found=0, std=0, add=794, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 794 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 71 SER OG : rot 87:sc= 1.19 USER MOD Set 1.2: A 94 HIS : no HE2:sc= 0.95 K(o=2.1,f=-2.3!) USER MOD Set 2.1: A 87 GLN : amide:sc= 1 K(o=3.4,f=-5.7!) USER MOD Set 2.2: A 88 LYS NZ :NH3+ 160:sc= 2.36 (180deg=0.572) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -174:sc= 0 (180deg=-0.0208) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.0316 USER MOD Single : A 21 SER OG : rot -84:sc= 1.21 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.224 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -173:sc= 1.18 (180deg=1.15) USER MOD Single : A 47 HIS : no HE2:sc= -1.48 K(o=-1.5,f=-2.2) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.0108 USER MOD Single : A 59 TYR OH : rot 8:sc= 1.27 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HD1:sc= 0.312 K(o=0.31,f=-2.8!) USER MOD Single : A 79 LYS NZ :NH3+ 164:sc= -0.0822 (180deg=-0.382) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl 162:sc= -0.0737 (180deg=-0.491) USER MOD Single : A 89 TYR OH : rot 180:sc= -0.801 USER MOD Single : A 91 GLN : amide:sc= -2.16 K(o=-2.2,f=-3.9!) USER MOD Single : A 93 HIS : no HD1:sc= 0.815 K(o=0.81,f=-4.3!) USER MOD Single : A 95 HIS : no HD1:sc= -0.152 K(o=-0.15,f=-0.66) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 18.515 18.686 6.208 1.00 61.00 N ATOM 2 CA MET A 1 18.895 17.376 6.788 1.00 61.00 C ATOM 3 C MET A 1 19.108 17.491 8.295 1.00 61.00 C ATOM 4 O MET A 1 18.617 16.663 9.062 1.00 61.00 O ATOM 5 CB MET A 1 20.174 16.853 6.126 1.00 61.00 C ATOM 6 CG MET A 1 20.676 15.544 6.716 1.00 61.00 C ATOM 7 SD MET A 1 22.236 15.004 5.987 1.00 61.00 S ATOM 8 CE MET A 1 22.569 13.528 6.950 1.00 61.00 C ATOM 0 H1 MET A 1 18.277 18.565 5.203 1.00 61.00 H new ATOM 0 H2 MET A 1 17.690 19.065 6.716 1.00 61.00 H new ATOM 0 H3 MET A 1 19.311 19.349 6.297 1.00 61.00 H new ATOM 0 HA MET A 1 18.081 16.675 6.602 1.00 61.00 H new ATOM 0 HB2 MET A 1 19.991 16.714 5.060 1.00 61.00 H new ATOM 0 HB3 MET A 1 20.956 17.607 6.220 1.00 61.00 H new ATOM 0 HG2 MET A 1 20.804 15.661 7.792 1.00 61.00 H new ATOM 0 HG3 MET A 1 19.923 14.770 6.566 1.00 61.00 H new ATOM 0 HE1 MET A 1 23.504 13.079 6.616 1.00 61.00 H new ATOM 0 HE2 MET A 1 22.650 13.792 8.004 1.00 61.00 H new ATOM 0 HE3 MET A 1 21.756 12.815 6.816 1.00 61.00 H new ATOM 20 N TYR A 2 19.823 18.527 8.715 1.00 61.00 N ATOM 21 CA TYR A 2 20.165 18.693 10.117 1.00 61.00 C ATOM 22 C TYR A 2 19.025 19.357 10.878 1.00 61.00 C ATOM 23 O TYR A 2 18.993 20.582 11.032 1.00 61.00 O ATOM 24 CB TYR A 2 21.457 19.502 10.259 1.00 61.00 C ATOM 25 CG TYR A 2 22.673 18.796 9.697 1.00 61.00 C ATOM 26 CD1 TYR A 2 22.956 18.831 8.337 1.00 61.00 C ATOM 27 CD2 TYR A 2 23.539 18.097 10.529 1.00 61.00 C ATOM 28 CE1 TYR A 2 24.062 18.184 7.822 1.00 61.00 C ATOM 29 CE2 TYR A 2 24.649 17.447 10.021 1.00 61.00 C ATOM 30 CZ TYR A 2 24.907 17.497 8.667 1.00 61.00 C ATOM 31 OH TYR A 2 26.009 16.852 8.155 1.00 61.00 O ATOM 0 H TYR A 2 20.176 19.263 8.103 1.00 61.00 H new ATOM 0 HA TYR A 2 20.328 17.706 10.550 1.00 61.00 H new ATOM 0 HB2 TYR A 2 21.335 20.459 9.752 1.00 61.00 H new ATOM 0 HB3 TYR A 2 21.627 19.719 11.314 1.00 61.00 H new ATOM 0 HD1 TYR A 2 22.300 19.373 7.672 1.00 61.00 H new ATOM 0 HD2 TYR A 2 23.342 18.061 11.590 1.00 61.00 H new ATOM 0 HE1 TYR A 2 24.264 18.216 6.762 1.00 61.00 H new ATOM 0 HE2 TYR A 2 25.310 16.904 10.680 1.00 61.00 H new ATOM 0 HH TYR A 2 26.501 16.417 8.883 1.00 61.00 H new ATOM 41 N LEU A 3 18.078 18.531 11.305 1.00 61.00 N ATOM 42 CA LEU A 3 16.938 18.965 12.104 1.00 61.00 C ATOM 43 C LEU A 3 16.074 17.748 12.405 1.00 61.00 C ATOM 44 O LEU A 3 16.088 17.218 13.518 1.00 61.00 O ATOM 45 CB LEU A 3 16.113 20.033 11.362 1.00 61.00 C ATOM 46 CG LEU A 3 15.221 20.924 12.241 1.00 61.00 C ATOM 47 CD1 LEU A 3 14.646 22.055 11.409 1.00 61.00 C ATOM 48 CD2 LEU A 3 14.094 20.132 12.891 1.00 61.00 C ATOM 0 H LEU A 3 18.079 17.531 11.105 1.00 61.00 H new ATOM 0 HA LEU A 3 17.296 19.414 13.030 1.00 61.00 H new ATOM 0 HB2 LEU A 3 16.799 20.674 10.808 1.00 61.00 H new ATOM 0 HB3 LEU A 3 15.482 19.532 10.628 1.00 61.00 H new ATOM 0 HG LEU A 3 15.841 21.332 13.039 1.00 61.00 H new ATOM 0 HD11 LEU A 3 14.014 22.684 12.037 1.00 61.00 H new ATOM 0 HD12 LEU A 3 15.459 22.653 10.997 1.00 61.00 H new ATOM 0 HD13 LEU A 3 14.051 21.642 10.595 1.00 61.00 H new ATOM 0 HD21 LEU A 3 13.487 20.799 13.504 1.00 61.00 H new ATOM 0 HD22 LEU A 3 13.471 19.683 12.117 1.00 61.00 H new ATOM 0 HD23 LEU A 3 14.516 19.347 13.518 1.00 61.00 H new ATOM 60 N LYS A 4 15.347 17.300 11.393 1.00 61.00 N ATOM 61 CA LYS A 4 14.504 16.124 11.500 1.00 61.00 C ATOM 62 C LYS A 4 13.999 15.731 10.120 1.00 61.00 C ATOM 63 O LYS A 4 13.405 16.545 9.409 1.00 61.00 O ATOM 64 CB LYS A 4 13.311 16.370 12.428 1.00 61.00 C ATOM 65 CG LYS A 4 12.486 15.116 12.683 1.00 61.00 C ATOM 66 CD LYS A 4 11.178 15.426 13.395 1.00 61.00 C ATOM 67 CE LYS A 4 10.274 16.296 12.540 1.00 61.00 C ATOM 68 NZ LYS A 4 8.952 16.519 13.176 1.00 61.00 N ATOM 0 H LYS A 4 15.326 17.743 10.475 1.00 61.00 H new ATOM 0 HA LYS A 4 15.103 15.318 11.924 1.00 61.00 H new ATOM 0 HB2 LYS A 4 13.672 16.760 13.380 1.00 61.00 H new ATOM 0 HB3 LYS A 4 12.671 17.137 11.992 1.00 61.00 H new ATOM 0 HG2 LYS A 4 12.274 14.623 11.734 1.00 61.00 H new ATOM 0 HG3 LYS A 4 13.068 14.416 13.283 1.00 61.00 H new ATOM 0 HD2 LYS A 4 10.665 14.495 13.639 1.00 61.00 H new ATOM 0 HD3 LYS A 4 11.386 15.932 14.338 1.00 61.00 H new ATOM 0 HE2 LYS A 4 10.758 17.257 12.363 1.00 61.00 H new ATOM 0 HE3 LYS A 4 10.133 15.826 11.567 1.00 61.00 H new ATOM 0 HZ1 LYS A 4 8.367 17.118 12.559 1.00 61.00 H new ATOM 0 HZ2 LYS A 4 8.478 15.605 13.322 1.00 61.00 H new ATOM 0 HZ3 LYS A 4 9.083 16.991 14.093 1.00 61.00 H new ATOM 82 N ARG A 5 14.266 14.497 9.737 1.00 61.00 N ATOM 83 CA ARG A 5 13.735 13.939 8.508 1.00 61.00 C ATOM 84 C ARG A 5 12.499 13.118 8.851 1.00 61.00 C ATOM 85 O ARG A 5 12.265 12.833 10.026 1.00 61.00 O ATOM 86 CB ARG A 5 14.810 13.081 7.824 1.00 61.00 C ATOM 87 CG ARG A 5 14.350 12.400 6.546 1.00 61.00 C ATOM 88 CD ARG A 5 15.495 11.711 5.824 1.00 61.00 C ATOM 89 NE ARG A 5 15.037 10.996 4.630 1.00 61.00 N ATOM 90 CZ ARG A 5 15.525 11.191 3.407 1.00 61.00 C ATOM 91 NH1 ARG A 5 16.468 12.104 3.200 1.00 61.00 N ATOM 92 NH2 ARG A 5 15.060 10.472 2.393 1.00 61.00 N ATOM 0 H ARG A 5 14.855 13.855 10.267 1.00 61.00 H new ATOM 0 HA ARG A 5 13.453 14.729 7.812 1.00 61.00 H new ATOM 0 HB2 ARG A 5 15.670 13.711 7.596 1.00 61.00 H new ATOM 0 HB3 ARG A 5 15.150 12.319 8.525 1.00 61.00 H new ATOM 0 HG2 ARG A 5 13.578 11.668 6.783 1.00 61.00 H new ATOM 0 HG3 ARG A 5 13.897 13.138 5.885 1.00 61.00 H new ATOM 0 HD2 ARG A 5 16.242 12.451 5.539 1.00 61.00 H new ATOM 0 HD3 ARG A 5 15.982 11.010 6.502 1.00 61.00 H new ATOM 0 HE ARG A 5 14.296 10.304 4.743 1.00 61.00 H new ATOM 0 HH11 ARG A 5 16.821 12.659 3.980 1.00 61.00 H new ATOM 0 HH12 ARG A 5 16.839 12.250 2.261 1.00 61.00 H new ATOM 0 HH21 ARG A 5 14.333 9.775 2.553 1.00 61.00 H new ATOM 0 HH22 ARG A 5 15.430 10.617 1.453 1.00 61.00 H new ATOM 106 N VAL A 6 11.693 12.767 7.855 1.00 61.00 N ATOM 107 CA VAL A 6 10.524 11.929 8.093 1.00 61.00 C ATOM 108 C VAL A 6 10.953 10.547 8.581 1.00 61.00 C ATOM 109 O VAL A 6 11.190 9.632 7.790 1.00 61.00 O ATOM 110 CB VAL A 6 9.645 11.784 6.831 1.00 61.00 C ATOM 111 CG1 VAL A 6 8.411 10.942 7.123 1.00 61.00 C ATOM 112 CG2 VAL A 6 9.240 13.150 6.302 1.00 61.00 C ATOM 0 H VAL A 6 11.826 13.047 6.883 1.00 61.00 H new ATOM 0 HA VAL A 6 9.927 12.422 8.861 1.00 61.00 H new ATOM 0 HB VAL A 6 10.233 11.276 6.067 1.00 61.00 H new ATOM 0 HG11 VAL A 6 7.808 10.854 6.219 1.00 61.00 H new ATOM 0 HG12 VAL A 6 8.718 9.949 7.452 1.00 61.00 H new ATOM 0 HG13 VAL A 6 7.822 11.419 7.907 1.00 61.00 H new ATOM 0 HG21 VAL A 6 8.621 13.027 5.413 1.00 61.00 H new ATOM 0 HG22 VAL A 6 8.675 13.683 7.066 1.00 61.00 H new ATOM 0 HG23 VAL A 6 10.133 13.721 6.047 1.00 61.00 H new ATOM 122 N ASP A 7 11.092 10.420 9.889 1.00 61.00 N ATOM 123 CA ASP A 7 11.482 9.164 10.505 1.00 61.00 C ATOM 124 C ASP A 7 10.461 8.762 11.550 1.00 61.00 C ATOM 125 O ASP A 7 10.296 9.430 12.573 1.00 61.00 O ATOM 126 CB ASP A 7 12.870 9.271 11.145 1.00 61.00 C ATOM 127 CG ASP A 7 13.364 7.943 11.692 1.00 61.00 C ATOM 128 OD1 ASP A 7 13.074 7.624 12.866 1.00 61.00 O ATOM 129 OD2 ASP A 7 14.057 7.214 10.953 1.00 61.00 O ATOM 0 H ASP A 7 10.939 11.181 10.551 1.00 61.00 H new ATOM 0 HA ASP A 7 11.524 8.402 9.727 1.00 61.00 H new ATOM 0 HB2 ASP A 7 13.580 9.642 10.405 1.00 61.00 H new ATOM 0 HB3 ASP A 7 12.839 10.003 11.952 1.00 61.00 H new ATOM 134 N GLY A 8 9.763 7.685 11.267 1.00 61.00 N ATOM 135 CA GLY A 8 8.775 7.163 12.180 1.00 61.00 C ATOM 136 C GLY A 8 8.546 5.699 11.920 1.00 61.00 C ATOM 137 O GLY A 8 9.417 4.881 12.209 1.00 61.00 O ATOM 0 H GLY A 8 9.864 7.151 10.404 1.00 61.00 H new ATOM 0 HA2 GLY A 8 9.107 7.309 13.208 1.00 61.00 H new ATOM 0 HA3 GLY A 8 7.839 7.710 12.066 1.00 61.00 H new ATOM 141 N PRO A 9 7.398 5.329 11.350 1.00 61.00 N ATOM 142 CA PRO A 9 7.147 3.955 10.945 1.00 61.00 C ATOM 143 C PRO A 9 7.877 3.621 9.649 1.00 61.00 C ATOM 144 O PRO A 9 7.346 3.809 8.553 1.00 61.00 O ATOM 145 CB PRO A 9 5.636 3.913 10.746 1.00 61.00 C ATOM 146 CG PRO A 9 5.269 5.309 10.363 1.00 61.00 C ATOM 147 CD PRO A 9 6.250 6.212 11.065 1.00 61.00 C ATOM 0 HA PRO A 9 7.501 3.228 11.676 1.00 61.00 H new ATOM 0 HB2 PRO A 9 5.358 3.202 9.968 1.00 61.00 H new ATOM 0 HB3 PRO A 9 5.124 3.604 11.658 1.00 61.00 H new ATOM 0 HG2 PRO A 9 5.322 5.442 9.283 1.00 61.00 H new ATOM 0 HG3 PRO A 9 4.246 5.538 10.663 1.00 61.00 H new ATOM 0 HD2 PRO A 9 6.539 7.054 10.436 1.00 61.00 H new ATOM 0 HD3 PRO A 9 5.828 6.627 11.980 1.00 61.00 H new ATOM 155 N ARG A 10 9.117 3.173 9.771 1.00 61.00 N ATOM 156 CA ARG A 10 9.899 2.814 8.600 1.00 61.00 C ATOM 157 C ARG A 10 9.577 1.393 8.167 1.00 61.00 C ATOM 158 O ARG A 10 9.813 1.018 7.020 1.00 61.00 O ATOM 159 CB ARG A 10 11.395 2.961 8.877 1.00 61.00 C ATOM 160 CG ARG A 10 11.788 4.354 9.335 1.00 61.00 C ATOM 161 CD ARG A 10 13.295 4.489 9.486 1.00 61.00 C ATOM 162 NE ARG A 10 13.864 3.421 10.305 1.00 61.00 N ATOM 163 CZ ARG A 10 14.649 3.623 11.359 1.00 61.00 C ATOM 164 NH1 ARG A 10 14.912 4.855 11.779 1.00 61.00 N ATOM 165 NH2 ARG A 10 15.156 2.585 12.004 1.00 61.00 N ATOM 0 H ARG A 10 9.600 3.050 10.661 1.00 61.00 H new ATOM 0 HA ARG A 10 9.636 3.496 7.791 1.00 61.00 H new ATOM 0 HB2 ARG A 10 11.689 2.239 9.639 1.00 61.00 H new ATOM 0 HB3 ARG A 10 11.951 2.713 7.973 1.00 61.00 H new ATOM 0 HG2 ARG A 10 11.426 5.089 8.616 1.00 61.00 H new ATOM 0 HG3 ARG A 10 11.305 4.574 10.287 1.00 61.00 H new ATOM 0 HD2 ARG A 10 13.760 4.476 8.500 1.00 61.00 H new ATOM 0 HD3 ARG A 10 13.529 5.454 9.936 1.00 61.00 H new ATOM 0 HE ARG A 10 13.645 2.458 10.052 1.00 61.00 H new ATOM 0 HH11 ARG A 10 14.511 5.656 11.292 1.00 61.00 H new ATOM 0 HH12 ARG A 10 15.515 5.000 12.589 1.00 61.00 H new ATOM 0 HH21 ARG A 10 14.944 1.637 11.692 1.00 61.00 H new ATOM 0 HH22 ARG A 10 15.759 2.732 12.813 1.00 61.00 H new ATOM 179 N GLN A 11 9.004 0.621 9.085 1.00 61.00 N ATOM 180 CA GLN A 11 8.642 -0.762 8.810 1.00 61.00 C ATOM 181 C GLN A 11 7.498 -1.208 9.709 1.00 61.00 C ATOM 182 O GLN A 11 7.445 -0.852 10.887 1.00 61.00 O ATOM 183 CB GLN A 11 9.848 -1.686 8.994 1.00 61.00 C ATOM 184 CG GLN A 11 10.434 -1.662 10.397 1.00 61.00 C ATOM 185 CD GLN A 11 11.622 -2.588 10.550 1.00 61.00 C ATOM 186 OE1 GLN A 11 12.377 -2.815 9.605 1.00 61.00 O ATOM 187 NE2 GLN A 11 11.783 -3.149 11.737 1.00 61.00 N ATOM 0 H GLN A 11 8.780 0.933 10.030 1.00 61.00 H new ATOM 0 HA GLN A 11 8.313 -0.823 7.772 1.00 61.00 H new ATOM 0 HB2 GLN A 11 9.552 -2.707 8.752 1.00 61.00 H new ATOM 0 HB3 GLN A 11 10.623 -1.402 8.282 1.00 61.00 H new ATOM 0 HG2 GLN A 11 10.738 -0.644 10.642 1.00 61.00 H new ATOM 0 HG3 GLN A 11 9.663 -1.946 11.113 1.00 61.00 H new ATOM 0 HE21 GLN A 11 11.135 -2.934 12.495 1.00 61.00 H new ATOM 0 HE22 GLN A 11 12.555 -3.796 11.895 1.00 61.00 H new ATOM 196 N VAL A 12 6.581 -1.973 9.143 1.00 61.00 N ATOM 197 CA VAL A 12 5.443 -2.487 9.887 1.00 61.00 C ATOM 198 C VAL A 12 5.387 -4.007 9.809 1.00 61.00 C ATOM 199 O VAL A 12 5.967 -4.616 8.905 1.00 61.00 O ATOM 200 CB VAL A 12 4.108 -1.899 9.385 1.00 61.00 C ATOM 201 CG1 VAL A 12 4.042 -0.405 9.661 1.00 61.00 C ATOM 202 CG2 VAL A 12 3.911 -2.181 7.898 1.00 61.00 C ATOM 0 H VAL A 12 6.603 -2.254 8.163 1.00 61.00 H new ATOM 0 HA VAL A 12 5.582 -2.180 10.924 1.00 61.00 H new ATOM 0 HB VAL A 12 3.299 -2.385 9.931 1.00 61.00 H new ATOM 0 HG11 VAL A 12 3.093 -0.010 9.299 1.00 61.00 H new ATOM 0 HG12 VAL A 12 4.123 -0.229 10.734 1.00 61.00 H new ATOM 0 HG13 VAL A 12 4.863 0.096 9.148 1.00 61.00 H new ATOM 0 HG21 VAL A 12 2.963 -1.756 7.570 1.00 61.00 H new ATOM 0 HG22 VAL A 12 4.726 -1.731 7.331 1.00 61.00 H new ATOM 0 HG23 VAL A 12 3.904 -3.258 7.730 1.00 61.00 H new ATOM 212 N THR A 13 4.684 -4.608 10.752 1.00 61.00 N ATOM 213 CA THR A 13 4.575 -6.052 10.823 1.00 61.00 C ATOM 214 C THR A 13 3.244 -6.521 10.244 1.00 61.00 C ATOM 215 O THR A 13 2.180 -6.009 10.601 1.00 61.00 O ATOM 216 CB THR A 13 4.699 -6.531 12.282 1.00 61.00 C ATOM 217 OG1 THR A 13 5.867 -5.951 12.888 1.00 61.00 O ATOM 218 CG2 THR A 13 4.785 -8.049 12.354 1.00 61.00 C ATOM 0 H THR A 13 4.176 -4.112 11.485 1.00 61.00 H new ATOM 0 HA THR A 13 5.387 -6.480 10.236 1.00 61.00 H new ATOM 0 HB THR A 13 3.808 -6.211 12.823 1.00 61.00 H new ATOM 0 HG1 THR A 13 5.940 -6.257 13.816 1.00 61.00 H new ATOM 0 HG21 THR A 13 4.872 -8.360 13.395 1.00 61.00 H new ATOM 0 HG22 THR A 13 3.886 -8.485 11.919 1.00 61.00 H new ATOM 0 HG23 THR A 13 5.659 -8.391 11.799 1.00 61.00 H new ATOM 226 N LEU A 14 3.309 -7.482 9.336 1.00 61.00 N ATOM 227 CA LEU A 14 2.112 -8.054 8.738 1.00 61.00 C ATOM 228 C LEU A 14 1.555 -9.143 9.645 1.00 61.00 C ATOM 229 O LEU A 14 2.305 -9.761 10.400 1.00 61.00 O ATOM 230 CB LEU A 14 2.413 -8.663 7.355 1.00 61.00 C ATOM 231 CG LEU A 14 2.789 -7.685 6.234 1.00 61.00 C ATOM 232 CD1 LEU A 14 1.767 -6.573 6.115 1.00 61.00 C ATOM 233 CD2 LEU A 14 4.179 -7.115 6.446 1.00 61.00 C ATOM 0 H LEU A 14 4.182 -7.884 8.995 1.00 61.00 H new ATOM 0 HA LEU A 14 1.383 -7.253 8.616 1.00 61.00 H new ATOM 0 HB2 LEU A 14 3.228 -9.378 7.469 1.00 61.00 H new ATOM 0 HB3 LEU A 14 1.537 -9.226 7.034 1.00 61.00 H new ATOM 0 HG LEU A 14 2.793 -8.243 5.298 1.00 61.00 H new ATOM 0 HD11 LEU A 14 2.059 -5.895 5.313 1.00 61.00 H new ATOM 0 HD12 LEU A 14 0.789 -7.000 5.892 1.00 61.00 H new ATOM 0 HD13 LEU A 14 1.717 -6.023 7.055 1.00 61.00 H new ATOM 0 HD21 LEU A 14 4.417 -6.426 5.636 1.00 61.00 H new ATOM 0 HD22 LEU A 14 4.213 -6.583 7.397 1.00 61.00 H new ATOM 0 HD23 LEU A 14 4.907 -7.926 6.458 1.00 61.00 H new ATOM 245 N PRO A 15 0.237 -9.413 9.576 1.00 61.00 N ATOM 246 CA PRO A 15 -0.364 -10.534 10.298 1.00 61.00 C ATOM 247 C PRO A 15 0.129 -11.853 9.718 1.00 61.00 C ATOM 248 O PRO A 15 -0.005 -12.915 10.322 1.00 61.00 O ATOM 249 CB PRO A 15 -1.868 -10.357 10.063 1.00 61.00 C ATOM 250 CG PRO A 15 -1.969 -9.556 8.812 1.00 61.00 C ATOM 251 CD PRO A 15 -0.756 -8.664 8.788 1.00 61.00 C ATOM 0 HA PRO A 15 -0.110 -10.550 11.358 1.00 61.00 H new ATOM 0 HB2 PRO A 15 -2.367 -11.320 9.957 1.00 61.00 H new ATOM 0 HB3 PRO A 15 -2.341 -9.843 10.900 1.00 61.00 H new ATOM 0 HG2 PRO A 15 -1.994 -10.204 7.936 1.00 61.00 H new ATOM 0 HG3 PRO A 15 -2.886 -8.967 8.799 1.00 61.00 H new ATOM 0 HD2 PRO A 15 -0.409 -8.486 7.770 1.00 61.00 H new ATOM 0 HD3 PRO A 15 -0.966 -7.689 9.229 1.00 61.00 H new ATOM 259 N ASP A 16 0.718 -11.742 8.532 1.00 61.00 N ATOM 260 CA ASP A 16 1.334 -12.861 7.840 1.00 61.00 C ATOM 261 C ASP A 16 2.654 -13.238 8.510 1.00 61.00 C ATOM 262 O ASP A 16 3.195 -14.318 8.279 1.00 61.00 O ATOM 263 CB ASP A 16 1.609 -12.483 6.378 1.00 61.00 C ATOM 264 CG ASP A 16 0.402 -11.900 5.659 1.00 61.00 C ATOM 265 OD1 ASP A 16 0.138 -10.682 5.810 1.00 61.00 O ATOM 266 OD2 ASP A 16 -0.272 -12.648 4.922 1.00 61.00 O ATOM 0 H ASP A 16 0.780 -10.861 8.021 1.00 61.00 H new ATOM 0 HA ASP A 16 0.651 -13.710 7.881 1.00 61.00 H new ATOM 0 HB2 ASP A 16 2.424 -11.760 6.346 1.00 61.00 H new ATOM 0 HB3 ASP A 16 1.948 -13.369 5.841 1.00 61.00 H new ATOM 271 N GLY A 17 3.172 -12.335 9.338 1.00 61.00 N ATOM 272 CA GLY A 17 4.465 -12.549 9.965 1.00 61.00 C ATOM 273 C GLY A 17 5.588 -11.938 9.151 1.00 61.00 C ATOM 274 O GLY A 17 6.764 -12.073 9.486 1.00 61.00 O ATOM 0 H GLY A 17 2.718 -11.456 9.587 1.00 61.00 H new ATOM 0 HA2 GLY A 17 4.462 -12.115 10.965 1.00 61.00 H new ATOM 0 HA3 GLY A 17 4.640 -13.618 10.083 1.00 61.00 H new ATOM 278 N THR A 18 5.207 -11.269 8.073 1.00 61.00 N ATOM 279 CA THR A 18 6.153 -10.646 7.161 1.00 61.00 C ATOM 280 C THR A 18 6.511 -9.232 7.636 1.00 61.00 C ATOM 281 O THR A 18 5.842 -8.682 8.516 1.00 61.00 O ATOM 282 CB THR A 18 5.539 -10.584 5.743 1.00 61.00 C ATOM 283 OG1 THR A 18 4.790 -11.783 5.490 1.00 61.00 O ATOM 284 CG2 THR A 18 6.608 -10.432 4.671 1.00 61.00 C ATOM 0 H THR A 18 4.231 -11.143 7.806 1.00 61.00 H new ATOM 0 HA THR A 18 7.065 -11.243 7.139 1.00 61.00 H new ATOM 0 HB THR A 18 4.888 -9.711 5.702 1.00 61.00 H new ATOM 0 HG1 THR A 18 4.400 -11.742 4.592 1.00 61.00 H new ATOM 0 HG21 THR A 18 6.136 -10.392 3.689 1.00 61.00 H new ATOM 0 HG22 THR A 18 7.167 -9.512 4.842 1.00 61.00 H new ATOM 0 HG23 THR A 18 7.288 -11.283 4.712 1.00 61.00 H new ATOM 292 N VAL A 19 7.562 -8.659 7.061 1.00 61.00 N ATOM 293 CA VAL A 19 7.958 -7.287 7.359 1.00 61.00 C ATOM 294 C VAL A 19 7.766 -6.411 6.125 1.00 61.00 C ATOM 295 O VAL A 19 8.209 -6.759 5.030 1.00 61.00 O ATOM 296 CB VAL A 19 9.429 -7.197 7.823 1.00 61.00 C ATOM 297 CG1 VAL A 19 9.822 -5.752 8.112 1.00 61.00 C ATOM 298 CG2 VAL A 19 9.656 -8.065 9.052 1.00 61.00 C ATOM 0 H VAL A 19 8.160 -9.128 6.380 1.00 61.00 H new ATOM 0 HA VAL A 19 7.324 -6.935 8.173 1.00 61.00 H new ATOM 0 HB VAL A 19 10.061 -7.566 7.015 1.00 61.00 H new ATOM 0 HG11 VAL A 19 10.862 -5.716 8.437 1.00 61.00 H new ATOM 0 HG12 VAL A 19 9.703 -5.155 7.208 1.00 61.00 H new ATOM 0 HG13 VAL A 19 9.182 -5.351 8.898 1.00 61.00 H new ATOM 0 HG21 VAL A 19 10.698 -7.989 9.364 1.00 61.00 H new ATOM 0 HG22 VAL A 19 9.009 -7.726 9.861 1.00 61.00 H new ATOM 0 HG23 VAL A 19 9.424 -9.103 8.812 1.00 61.00 H new ATOM 308 N LEU A 20 7.089 -5.289 6.306 1.00 61.00 N ATOM 309 CA LEU A 20 6.837 -4.356 5.217 1.00 61.00 C ATOM 310 C LEU A 20 7.392 -2.983 5.565 1.00 61.00 C ATOM 311 O LEU A 20 6.850 -2.280 6.416 1.00 61.00 O ATOM 312 CB LEU A 20 5.330 -4.271 4.937 1.00 61.00 C ATOM 313 CG LEU A 20 4.891 -3.186 3.955 1.00 61.00 C ATOM 314 CD1 LEU A 20 5.465 -3.436 2.569 1.00 61.00 C ATOM 315 CD2 LEU A 20 3.377 -3.122 3.896 1.00 61.00 C ATOM 0 H LEU A 20 6.701 -5.000 7.204 1.00 61.00 H new ATOM 0 HA LEU A 20 7.339 -4.715 4.318 1.00 61.00 H new ATOM 0 HB2 LEU A 20 4.997 -5.236 4.554 1.00 61.00 H new ATOM 0 HB3 LEU A 20 4.814 -4.108 5.883 1.00 61.00 H new ATOM 0 HG LEU A 20 5.275 -2.229 4.309 1.00 61.00 H new ATOM 0 HD11 LEU A 20 5.136 -2.648 1.891 1.00 61.00 H new ATOM 0 HD12 LEU A 20 6.554 -3.438 2.621 1.00 61.00 H new ATOM 0 HD13 LEU A 20 5.117 -4.401 2.200 1.00 61.00 H new ATOM 0 HD21 LEU A 20 3.073 -2.346 3.194 1.00 61.00 H new ATOM 0 HD22 LEU A 20 2.985 -4.084 3.566 1.00 61.00 H new ATOM 0 HD23 LEU A 20 2.984 -2.890 4.886 1.00 61.00 H new ATOM 327 N SER A 21 8.489 -2.613 4.928 1.00 61.00 N ATOM 328 CA SER A 21 9.085 -1.311 5.161 1.00 61.00 C ATOM 329 C SER A 21 8.718 -0.357 4.033 1.00 61.00 C ATOM 330 O SER A 21 8.116 -0.764 3.038 1.00 61.00 O ATOM 331 CB SER A 21 10.604 -1.434 5.291 1.00 61.00 C ATOM 332 OG SER A 21 11.201 -1.803 4.059 1.00 61.00 O ATOM 0 H SER A 21 8.982 -3.193 4.249 1.00 61.00 H new ATOM 0 HA SER A 21 8.694 -0.909 6.096 1.00 61.00 H new ATOM 0 HB2 SER A 21 11.020 -0.485 5.628 1.00 61.00 H new ATOM 0 HB3 SER A 21 10.847 -2.176 6.051 1.00 61.00 H new ATOM 0 HG SER A 21 11.156 -2.776 3.952 1.00 61.00 H new ATOM 338 N ARG A 22 9.089 0.907 4.177 1.00 61.00 N ATOM 339 CA ARG A 22 8.784 1.910 3.165 1.00 61.00 C ATOM 340 C ARG A 22 9.633 1.695 1.915 1.00 61.00 C ATOM 341 O ARG A 22 9.400 2.318 0.879 1.00 61.00 O ATOM 342 CB ARG A 22 8.994 3.320 3.722 1.00 61.00 C ATOM 343 CG ARG A 22 7.994 3.687 4.808 1.00 61.00 C ATOM 344 CD ARG A 22 8.239 5.081 5.370 1.00 61.00 C ATOM 345 NE ARG A 22 8.187 6.117 4.338 1.00 61.00 N ATOM 346 CZ ARG A 22 7.106 6.853 4.065 1.00 61.00 C ATOM 347 NH1 ARG A 22 5.959 6.629 4.700 1.00 61.00 N ATOM 348 NH2 ARG A 22 7.168 7.810 3.151 1.00 61.00 N ATOM 0 H ARG A 22 9.601 1.263 4.984 1.00 61.00 H new ATOM 0 HA ARG A 22 7.736 1.803 2.887 1.00 61.00 H new ATOM 0 HB2 ARG A 22 10.004 3.399 4.125 1.00 61.00 H new ATOM 0 HB3 ARG A 22 8.918 4.041 2.908 1.00 61.00 H new ATOM 0 HG2 ARG A 22 6.984 3.633 4.402 1.00 61.00 H new ATOM 0 HG3 ARG A 22 8.052 2.957 5.615 1.00 61.00 H new ATOM 0 HD2 ARG A 22 7.494 5.297 6.135 1.00 61.00 H new ATOM 0 HD3 ARG A 22 9.213 5.107 5.858 1.00 61.00 H new ATOM 0 HE ARG A 22 9.031 6.288 3.791 1.00 61.00 H new ATOM 0 HH11 ARG A 22 5.900 5.891 5.401 1.00 61.00 H new ATOM 0 HH12 ARG A 22 5.138 7.196 4.486 1.00 61.00 H new ATOM 0 HH21 ARG A 22 8.042 7.986 2.655 1.00 61.00 H new ATOM 0 HH22 ARG A 22 6.342 8.371 2.943 1.00 61.00 H new ATOM 362 N ALA A 23 10.608 0.805 2.019 1.00 61.00 N ATOM 363 CA ALA A 23 11.432 0.433 0.878 1.00 61.00 C ATOM 364 C ALA A 23 10.901 -0.841 0.224 1.00 61.00 C ATOM 365 O ALA A 23 11.375 -1.254 -0.834 1.00 61.00 O ATOM 366 CB ALA A 23 12.881 0.250 1.309 1.00 61.00 C ATOM 0 H ALA A 23 10.849 0.325 2.886 1.00 61.00 H new ATOM 0 HA ALA A 23 11.388 1.237 0.143 1.00 61.00 H new ATOM 0 HB1 ALA A 23 13.485 -0.028 0.445 1.00 61.00 H new ATOM 0 HB2 ALA A 23 13.256 1.183 1.729 1.00 61.00 H new ATOM 0 HB3 ALA A 23 12.940 -0.536 2.061 1.00 61.00 H new ATOM 372 N ASP A 24 9.909 -1.458 0.863 1.00 61.00 N ATOM 373 CA ASP A 24 9.308 -2.685 0.343 1.00 61.00 C ATOM 374 C ASP A 24 8.129 -2.370 -0.561 1.00 61.00 C ATOM 375 O ASP A 24 7.703 -3.214 -1.349 1.00 61.00 O ATOM 376 CB ASP A 24 8.845 -3.605 1.477 1.00 61.00 C ATOM 377 CG ASP A 24 9.982 -4.356 2.140 1.00 61.00 C ATOM 378 OD1 ASP A 24 10.542 -5.275 1.510 1.00 61.00 O ATOM 379 OD2 ASP A 24 10.311 -4.045 3.298 1.00 61.00 O ATOM 0 H ASP A 24 9.505 -1.129 1.740 1.00 61.00 H new ATOM 0 HA ASP A 24 10.077 -3.199 -0.234 1.00 61.00 H new ATOM 0 HB2 ASP A 24 8.324 -3.011 2.228 1.00 61.00 H new ATOM 0 HB3 ASP A 24 8.125 -4.323 1.083 1.00 61.00 H new ATOM 384 N LEU A 25 7.604 -1.153 -0.437 1.00 61.00 N ATOM 385 CA LEU A 25 6.482 -0.702 -1.254 1.00 61.00 C ATOM 386 C LEU A 25 6.770 -0.900 -2.738 1.00 61.00 C ATOM 387 O LEU A 25 7.892 -0.661 -3.195 1.00 61.00 O ATOM 388 CB LEU A 25 6.188 0.774 -0.979 1.00 61.00 C ATOM 389 CG LEU A 25 5.511 1.072 0.359 1.00 61.00 C ATOM 390 CD1 LEU A 25 5.513 2.569 0.626 1.00 61.00 C ATOM 391 CD2 LEU A 25 4.085 0.534 0.366 1.00 61.00 C ATOM 0 H LEU A 25 7.942 -0.457 0.228 1.00 61.00 H new ATOM 0 HA LEU A 25 5.611 -1.300 -0.988 1.00 61.00 H new ATOM 0 HB2 LEU A 25 7.126 1.328 -1.023 1.00 61.00 H new ATOM 0 HB3 LEU A 25 5.555 1.156 -1.780 1.00 61.00 H new ATOM 0 HG LEU A 25 6.071 0.575 1.151 1.00 61.00 H new ATOM 0 HD11 LEU A 25 5.028 2.769 1.582 1.00 61.00 H new ATOM 0 HD12 LEU A 25 6.540 2.932 0.658 1.00 61.00 H new ATOM 0 HD13 LEU A 25 4.972 3.081 -0.169 1.00 61.00 H new ATOM 0 HD21 LEU A 25 3.618 0.755 1.326 1.00 61.00 H new ATOM 0 HD22 LEU A 25 3.514 1.007 -0.433 1.00 61.00 H new ATOM 0 HD23 LEU A 25 4.102 -0.545 0.210 1.00 61.00 H new ATOM 403 N PRO A 26 5.759 -1.339 -3.508 1.00 61.00 N ATOM 404 CA PRO A 26 5.903 -1.578 -4.947 1.00 61.00 C ATOM 405 C PRO A 26 6.417 -0.331 -5.663 1.00 61.00 C ATOM 406 O PRO A 26 6.003 0.785 -5.353 1.00 61.00 O ATOM 407 CB PRO A 26 4.480 -1.948 -5.406 1.00 61.00 C ATOM 408 CG PRO A 26 3.584 -1.511 -4.301 1.00 61.00 C ATOM 409 CD PRO A 26 4.393 -1.615 -3.043 1.00 61.00 C ATOM 0 HA PRO A 26 6.628 -2.360 -5.174 1.00 61.00 H new ATOM 0 HB2 PRO A 26 4.225 -1.447 -6.340 1.00 61.00 H new ATOM 0 HB3 PRO A 26 4.391 -3.020 -5.584 1.00 61.00 H new ATOM 0 HG2 PRO A 26 3.240 -0.489 -4.460 1.00 61.00 H new ATOM 0 HG3 PRO A 26 2.696 -2.141 -4.247 1.00 61.00 H new ATOM 0 HD2 PRO A 26 4.068 -0.894 -2.293 1.00 61.00 H new ATOM 0 HD3 PRO A 26 4.312 -2.604 -2.591 1.00 61.00 H new ATOM 417 N PRO A 27 7.350 -0.502 -6.605 1.00 61.00 N ATOM 418 CA PRO A 27 7.993 0.619 -7.292 1.00 61.00 C ATOM 419 C PRO A 27 6.998 1.499 -8.045 1.00 61.00 C ATOM 420 O PRO A 27 5.965 1.023 -8.514 1.00 61.00 O ATOM 421 CB PRO A 27 8.958 -0.052 -8.277 1.00 61.00 C ATOM 422 CG PRO A 27 8.471 -1.454 -8.407 1.00 61.00 C ATOM 423 CD PRO A 27 7.853 -1.800 -7.084 1.00 61.00 C ATOM 0 HA PRO A 27 8.484 1.286 -6.584 1.00 61.00 H new ATOM 0 HB2 PRO A 27 8.954 0.457 -9.241 1.00 61.00 H new ATOM 0 HB3 PRO A 27 9.982 -0.024 -7.906 1.00 61.00 H new ATOM 0 HG2 PRO A 27 7.742 -1.541 -9.213 1.00 61.00 H new ATOM 0 HG3 PRO A 27 9.291 -2.132 -8.644 1.00 61.00 H new ATOM 0 HD2 PRO A 27 7.050 -2.529 -7.192 1.00 61.00 H new ATOM 0 HD3 PRO A 27 8.583 -2.229 -6.397 1.00 61.00 H new ATOM 431 N LEU A 28 7.330 2.780 -8.164 1.00 61.00 N ATOM 432 CA LEU A 28 6.501 3.728 -8.906 1.00 61.00 C ATOM 433 C LEU A 28 6.494 3.362 -10.388 1.00 61.00 C ATOM 434 O LEU A 28 5.652 3.817 -11.158 1.00 61.00 O ATOM 435 CB LEU A 28 7.020 5.159 -8.718 1.00 61.00 C ATOM 436 CG LEU A 28 7.154 5.627 -7.266 1.00 61.00 C ATOM 437 CD1 LEU A 28 7.660 7.060 -7.220 1.00 61.00 C ATOM 438 CD2 LEU A 28 5.826 5.514 -6.538 1.00 61.00 C ATOM 0 H LEU A 28 8.170 3.189 -7.755 1.00 61.00 H new ATOM 0 HA LEU A 28 5.483 3.678 -8.521 1.00 61.00 H new ATOM 0 HB2 LEU A 28 7.995 5.239 -9.199 1.00 61.00 H new ATOM 0 HB3 LEU A 28 6.350 5.841 -9.241 1.00 61.00 H new ATOM 0 HG LEU A 28 7.875 4.982 -6.763 1.00 61.00 H new ATOM 0 HD11 LEU A 28 7.751 7.381 -6.182 1.00 61.00 H new ATOM 0 HD12 LEU A 28 8.635 7.117 -7.704 1.00 61.00 H new ATOM 0 HD13 LEU A 28 6.958 7.711 -7.741 1.00 61.00 H new ATOM 0 HD21 LEU A 28 5.945 5.852 -5.509 1.00 61.00 H new ATOM 0 HD22 LEU A 28 5.082 6.134 -7.039 1.00 61.00 H new ATOM 0 HD23 LEU A 28 5.496 4.475 -6.543 1.00 61.00 H new ATOM 450 N ASP A 29 7.454 2.531 -10.769 1.00 61.00 N ATOM 451 CA ASP A 29 7.536 1.987 -12.117 1.00 61.00 C ATOM 452 C ASP A 29 6.337 1.093 -12.421 1.00 61.00 C ATOM 453 O ASP A 29 5.914 0.970 -13.572 1.00 61.00 O ATOM 454 CB ASP A 29 8.842 1.196 -12.262 1.00 61.00 C ATOM 455 CG ASP A 29 8.919 0.390 -13.545 1.00 61.00 C ATOM 456 OD1 ASP A 29 9.267 0.960 -14.597 1.00 61.00 O ATOM 457 OD2 ASP A 29 8.644 -0.827 -13.502 1.00 61.00 O ATOM 0 H ASP A 29 8.200 2.214 -10.150 1.00 61.00 H new ATOM 0 HA ASP A 29 7.525 2.810 -12.832 1.00 61.00 H new ATOM 0 HB2 ASP A 29 9.683 1.888 -12.225 1.00 61.00 H new ATOM 0 HB3 ASP A 29 8.946 0.522 -11.412 1.00 61.00 H new ATOM 462 N THR A 30 5.783 0.490 -11.379 1.00 61.00 N ATOM 463 CA THR A 30 4.669 -0.428 -11.522 1.00 61.00 C ATOM 464 C THR A 30 3.421 0.264 -12.051 1.00 61.00 C ATOM 465 O THR A 30 2.895 1.193 -11.438 1.00 61.00 O ATOM 466 CB THR A 30 4.339 -1.110 -10.179 1.00 61.00 C ATOM 467 OG1 THR A 30 5.428 -1.945 -9.767 1.00 61.00 O ATOM 468 CG2 THR A 30 3.068 -1.939 -10.284 1.00 61.00 C ATOM 0 H THR A 30 6.093 0.624 -10.417 1.00 61.00 H new ATOM 0 HA THR A 30 4.979 -1.180 -12.247 1.00 61.00 H new ATOM 0 HB THR A 30 4.181 -0.329 -9.435 1.00 61.00 H new ATOM 0 HG1 THR A 30 5.208 -2.371 -8.912 1.00 61.00 H new ATOM 0 HG21 THR A 30 2.859 -2.408 -9.323 1.00 61.00 H new ATOM 0 HG22 THR A 30 2.234 -1.294 -10.561 1.00 61.00 H new ATOM 0 HG23 THR A 30 3.198 -2.710 -11.044 1.00 61.00 H new ATOM 476 N ARG A 31 2.964 -0.197 -13.204 1.00 61.00 N ATOM 477 CA ARG A 31 1.702 0.249 -13.753 1.00 61.00 C ATOM 478 C ARG A 31 0.740 -0.934 -13.795 1.00 61.00 C ATOM 479 O ARG A 31 -0.465 -0.787 -13.570 1.00 61.00 O ATOM 480 CB ARG A 31 1.904 0.832 -15.149 1.00 61.00 C ATOM 481 CG ARG A 31 0.756 1.707 -15.603 1.00 61.00 C ATOM 482 CD ARG A 31 0.611 2.931 -14.710 1.00 61.00 C ATOM 483 NE ARG A 31 -0.484 3.803 -15.129 1.00 61.00 N ATOM 484 CZ ARG A 31 -0.433 5.134 -15.073 1.00 61.00 C ATOM 485 NH1 ARG A 31 0.666 5.737 -14.641 1.00 61.00 N ATOM 486 NH2 ARG A 31 -1.478 5.861 -15.457 1.00 61.00 N ATOM 0 H ARG A 31 3.454 -0.883 -13.778 1.00 61.00 H new ATOM 0 HA ARG A 31 1.284 1.034 -13.123 1.00 61.00 H new ATOM 0 HB2 ARG A 31 2.824 1.416 -15.162 1.00 61.00 H new ATOM 0 HB3 ARG A 31 2.034 0.017 -15.861 1.00 61.00 H new ATOM 0 HG2 ARG A 31 0.921 2.023 -16.633 1.00 61.00 H new ATOM 0 HG3 ARG A 31 -0.170 1.132 -15.590 1.00 61.00 H new ATOM 0 HD2 ARG A 31 0.442 2.609 -13.682 1.00 61.00 H new ATOM 0 HD3 ARG A 31 1.544 3.495 -14.718 1.00 61.00 H new ATOM 0 HE ARG A 31 -1.336 3.369 -15.485 1.00 61.00 H new ATOM 0 HH11 ARG A 31 1.472 5.183 -14.352 1.00 61.00 H new ATOM 0 HH12 ARG A 31 0.706 6.755 -14.598 1.00 61.00 H new ATOM 0 HH21 ARG A 31 -2.323 5.401 -15.796 1.00 61.00 H new ATOM 0 HH22 ARG A 31 -1.435 6.879 -15.413 1.00 61.00 H new ATOM 500 N ARG A 32 1.290 -2.115 -14.081 1.00 61.00 N ATOM 501 CA ARG A 32 0.525 -3.352 -14.007 1.00 61.00 C ATOM 502 C ARG A 32 0.263 -3.702 -12.551 1.00 61.00 C ATOM 503 O ARG A 32 1.007 -4.469 -11.934 1.00 61.00 O ATOM 504 CB ARG A 32 1.259 -4.509 -14.692 1.00 61.00 C ATOM 505 CG ARG A 32 1.451 -4.324 -16.187 1.00 61.00 C ATOM 506 CD ARG A 32 2.101 -5.548 -16.814 1.00 61.00 C ATOM 507 NE ARG A 32 1.278 -6.747 -16.652 1.00 61.00 N ATOM 508 CZ ARG A 32 1.535 -7.917 -17.234 1.00 61.00 C ATOM 509 NH1 ARG A 32 2.603 -8.063 -18.012 1.00 61.00 N ATOM 510 NH2 ARG A 32 0.721 -8.945 -17.028 1.00 61.00 N ATOM 0 H ARG A 32 2.262 -2.237 -14.365 1.00 61.00 H new ATOM 0 HA ARG A 32 -0.419 -3.198 -14.529 1.00 61.00 H new ATOM 0 HB2 ARG A 32 2.236 -4.633 -14.224 1.00 61.00 H new ATOM 0 HB3 ARG A 32 0.703 -5.431 -14.519 1.00 61.00 H new ATOM 0 HG2 ARG A 32 0.487 -4.139 -16.660 1.00 61.00 H new ATOM 0 HG3 ARG A 32 2.070 -3.446 -16.371 1.00 61.00 H new ATOM 0 HD2 ARG A 32 2.271 -5.365 -17.875 1.00 61.00 H new ATOM 0 HD3 ARG A 32 3.077 -5.714 -16.359 1.00 61.00 H new ATOM 0 HE ARG A 32 0.454 -6.683 -16.054 1.00 61.00 H new ATOM 0 HH11 ARG A 32 3.233 -7.276 -18.167 1.00 61.00 H new ATOM 0 HH12 ARG A 32 2.793 -8.962 -18.454 1.00 61.00 H new ATOM 0 HH21 ARG A 32 -0.096 -8.836 -16.427 1.00 61.00 H new ATOM 0 HH22 ARG A 32 0.912 -9.844 -17.471 1.00 61.00 H new ATOM 524 N TRP A 33 -0.760 -3.087 -11.992 1.00 61.00 N ATOM 525 CA TRP A 33 -1.130 -3.325 -10.607 1.00 61.00 C ATOM 526 C TRP A 33 -1.800 -4.679 -10.421 1.00 61.00 C ATOM 527 O TRP A 33 -3.011 -4.816 -10.588 1.00 61.00 O ATOM 528 CB TRP A 33 -2.037 -2.208 -10.099 1.00 61.00 C ATOM 529 CG TRP A 33 -1.285 -0.963 -9.756 1.00 61.00 C ATOM 530 CD1 TRP A 33 -1.224 0.198 -10.477 1.00 61.00 C ATOM 531 CD2 TRP A 33 -0.469 -0.765 -8.599 1.00 61.00 C ATOM 532 NE1 TRP A 33 -0.420 1.106 -9.830 1.00 61.00 N ATOM 533 CE2 TRP A 33 0.051 0.537 -8.676 1.00 61.00 C ATOM 534 CE3 TRP A 33 -0.134 -1.564 -7.501 1.00 61.00 C ATOM 535 CZ2 TRP A 33 0.892 1.055 -7.700 1.00 61.00 C ATOM 536 CZ3 TRP A 33 0.701 -1.046 -6.534 1.00 61.00 C ATOM 537 CH2 TRP A 33 1.204 0.254 -6.638 1.00 61.00 C ATOM 0 H TRP A 33 -1.354 -2.415 -12.477 1.00 61.00 H new ATOM 0 HA TRP A 33 -0.211 -3.332 -10.020 1.00 61.00 H new ATOM 0 HB2 TRP A 33 -2.784 -1.978 -10.859 1.00 61.00 H new ATOM 0 HB3 TRP A 33 -2.576 -2.556 -9.218 1.00 61.00 H new ATOM 0 HD1 TRP A 33 -1.731 0.375 -11.414 1.00 61.00 H new ATOM 0 HE1 TRP A 33 -0.209 2.049 -10.156 1.00 61.00 H new ATOM 0 HE3 TRP A 33 -0.522 -2.568 -7.412 1.00 61.00 H new ATOM 0 HZ2 TRP A 33 1.286 2.057 -7.778 1.00 61.00 H new ATOM 0 HZ3 TRP A 33 0.971 -1.654 -5.683 1.00 61.00 H new ATOM 0 HH2 TRP A 33 1.853 0.633 -5.863 1.00 61.00 H new ATOM 548 N VAL A 34 -0.995 -5.676 -10.087 1.00 61.00 N ATOM 549 CA VAL A 34 -1.512 -6.997 -9.774 1.00 61.00 C ATOM 550 C VAL A 34 -1.982 -7.046 -8.320 1.00 61.00 C ATOM 551 O VAL A 34 -1.712 -6.121 -7.544 1.00 61.00 O ATOM 552 CB VAL A 34 -0.463 -8.100 -10.030 1.00 61.00 C ATOM 553 CG1 VAL A 34 -0.017 -8.085 -11.486 1.00 61.00 C ATOM 554 CG2 VAL A 34 0.734 -7.944 -9.105 1.00 61.00 C ATOM 0 H VAL A 34 0.020 -5.594 -10.026 1.00 61.00 H new ATOM 0 HA VAL A 34 -2.357 -7.186 -10.436 1.00 61.00 H new ATOM 0 HB VAL A 34 -0.929 -9.062 -9.818 1.00 61.00 H new ATOM 0 HG11 VAL A 34 0.723 -8.869 -11.648 1.00 61.00 H new ATOM 0 HG12 VAL A 34 -0.878 -8.259 -12.132 1.00 61.00 H new ATOM 0 HG13 VAL A 34 0.424 -7.116 -11.722 1.00 61.00 H new ATOM 0 HG21 VAL A 34 1.456 -8.735 -9.308 1.00 61.00 H new ATOM 0 HG22 VAL A 34 1.201 -6.974 -9.275 1.00 61.00 H new ATOM 0 HG23 VAL A 34 0.404 -8.012 -8.068 1.00 61.00 H new ATOM 564 N ALA A 35 -2.661 -8.125 -7.958 1.00 61.00 N ATOM 565 CA ALA A 35 -3.297 -8.251 -6.647 1.00 61.00 C ATOM 566 C ALA A 35 -2.312 -8.052 -5.493 1.00 61.00 C ATOM 567 O ALA A 35 -2.541 -7.223 -4.614 1.00 61.00 O ATOM 568 CB ALA A 35 -3.978 -9.605 -6.529 1.00 61.00 C ATOM 0 H ALA A 35 -2.789 -8.938 -8.561 1.00 61.00 H new ATOM 0 HA ALA A 35 -4.040 -7.457 -6.571 1.00 61.00 H new ATOM 0 HB1 ALA A 35 -4.449 -9.691 -5.550 1.00 61.00 H new ATOM 0 HB2 ALA A 35 -4.736 -9.700 -7.306 1.00 61.00 H new ATOM 0 HB3 ALA A 35 -3.237 -10.396 -6.646 1.00 61.00 H new ATOM 574 N SER A 36 -1.218 -8.803 -5.505 1.00 61.00 N ATOM 575 CA SER A 36 -0.267 -8.787 -4.395 1.00 61.00 C ATOM 576 C SER A 36 0.402 -7.417 -4.225 1.00 61.00 C ATOM 577 O SER A 36 0.714 -7.010 -3.105 1.00 61.00 O ATOM 578 CB SER A 36 0.787 -9.875 -4.588 1.00 61.00 C ATOM 579 OG SER A 36 0.181 -11.154 -4.689 1.00 61.00 O ATOM 0 H SER A 36 -0.965 -9.430 -6.268 1.00 61.00 H new ATOM 0 HA SER A 36 -0.828 -8.987 -3.482 1.00 61.00 H new ATOM 0 HB2 SER A 36 1.366 -9.670 -5.488 1.00 61.00 H new ATOM 0 HB3 SER A 36 1.485 -9.864 -3.751 1.00 61.00 H new ATOM 0 HG SER A 36 0.874 -11.835 -4.814 1.00 61.00 H new ATOM 585 N ARG A 37 0.609 -6.701 -5.328 1.00 61.00 N ATOM 586 CA ARG A 37 1.213 -5.371 -5.260 1.00 61.00 C ATOM 587 C ARG A 37 0.238 -4.378 -4.639 1.00 61.00 C ATOM 588 O ARG A 37 0.627 -3.528 -3.840 1.00 61.00 O ATOM 589 CB ARG A 37 1.653 -4.898 -6.647 1.00 61.00 C ATOM 590 CG ARG A 37 2.744 -5.766 -7.250 1.00 61.00 C ATOM 591 CD ARG A 37 3.191 -5.264 -8.610 1.00 61.00 C ATOM 592 NE ARG A 37 4.149 -6.177 -9.232 1.00 61.00 N ATOM 593 CZ ARG A 37 4.823 -5.914 -10.351 1.00 61.00 C ATOM 594 NH1 ARG A 37 4.682 -4.744 -10.961 1.00 61.00 N ATOM 595 NH2 ARG A 37 5.653 -6.819 -10.847 1.00 61.00 N ATOM 0 H ARG A 37 0.371 -7.014 -6.269 1.00 61.00 H new ATOM 0 HA ARG A 37 2.099 -5.430 -4.628 1.00 61.00 H new ATOM 0 HB2 ARG A 37 0.791 -4.892 -7.314 1.00 61.00 H new ATOM 0 HB3 ARG A 37 2.010 -3.870 -6.578 1.00 61.00 H new ATOM 0 HG2 ARG A 37 3.600 -5.792 -6.575 1.00 61.00 H new ATOM 0 HG3 ARG A 37 2.381 -6.789 -7.344 1.00 61.00 H new ATOM 0 HD2 ARG A 37 2.323 -5.149 -9.259 1.00 61.00 H new ATOM 0 HD3 ARG A 37 3.643 -4.278 -8.504 1.00 61.00 H new ATOM 0 HE ARG A 37 4.312 -7.076 -8.779 1.00 61.00 H new ATOM 0 HH11 ARG A 37 4.055 -4.039 -10.574 1.00 61.00 H new ATOM 0 HH12 ARG A 37 5.201 -4.549 -11.817 1.00 61.00 H new ATOM 0 HH21 ARG A 37 5.775 -7.714 -10.373 1.00 61.00 H new ATOM 0 HH22 ARG A 37 6.171 -6.621 -11.703 1.00 61.00 H new ATOM 609 N LYS A 38 -1.032 -4.506 -5.003 1.00 61.00 N ATOM 610 CA LYS A 38 -2.086 -3.700 -4.392 1.00 61.00 C ATOM 611 C LYS A 38 -2.193 -4.012 -2.902 1.00 61.00 C ATOM 612 O LYS A 38 -2.342 -3.111 -2.074 1.00 61.00 O ATOM 613 CB LYS A 38 -3.441 -3.960 -5.063 1.00 61.00 C ATOM 614 CG LYS A 38 -3.500 -3.545 -6.524 1.00 61.00 C ATOM 615 CD LYS A 38 -4.913 -3.667 -7.078 1.00 61.00 C ATOM 616 CE LYS A 38 -4.994 -3.199 -8.523 1.00 61.00 C ATOM 617 NZ LYS A 38 -6.391 -3.210 -9.038 1.00 61.00 N ATOM 0 H LYS A 38 -1.358 -5.158 -5.716 1.00 61.00 H new ATOM 0 HA LYS A 38 -1.823 -2.651 -4.529 1.00 61.00 H new ATOM 0 HB2 LYS A 38 -3.673 -5.022 -4.989 1.00 61.00 H new ATOM 0 HB3 LYS A 38 -4.215 -3.425 -4.513 1.00 61.00 H new ATOM 0 HG2 LYS A 38 -3.155 -2.516 -6.626 1.00 61.00 H new ATOM 0 HG3 LYS A 38 -2.823 -4.168 -7.109 1.00 61.00 H new ATOM 0 HD2 LYS A 38 -5.241 -4.704 -7.013 1.00 61.00 H new ATOM 0 HD3 LYS A 38 -5.596 -3.078 -6.466 1.00 61.00 H new ATOM 0 HE2 LYS A 38 -4.588 -2.191 -8.600 1.00 61.00 H new ATOM 0 HE3 LYS A 38 -4.373 -3.842 -9.147 1.00 61.00 H new ATOM 0 HZ1 LYS A 38 -6.400 -2.884 -10.026 1.00 61.00 H new ATOM 0 HZ2 LYS A 38 -6.771 -4.177 -8.989 1.00 61.00 H new ATOM 0 HZ3 LYS A 38 -6.979 -2.577 -8.459 1.00 61.00 H new ATOM 631 N ALA A 39 -2.105 -5.300 -2.578 1.00 61.00 N ATOM 632 CA ALA A 39 -2.192 -5.762 -1.198 1.00 61.00 C ATOM 633 C ALA A 39 -1.066 -5.185 -0.349 1.00 61.00 C ATOM 634 O ALA A 39 -1.275 -4.825 0.806 1.00 61.00 O ATOM 635 CB ALA A 39 -2.169 -7.283 -1.143 1.00 61.00 C ATOM 0 H ALA A 39 -1.972 -6.047 -3.260 1.00 61.00 H new ATOM 0 HA ALA A 39 -3.138 -5.409 -0.787 1.00 61.00 H new ATOM 0 HB1 ALA A 39 -2.235 -7.611 -0.105 1.00 61.00 H new ATOM 0 HB2 ALA A 39 -3.015 -7.680 -1.703 1.00 61.00 H new ATOM 0 HB3 ALA A 39 -1.240 -7.649 -1.581 1.00 61.00 H new ATOM 641 N ALA A 40 0.125 -5.098 -0.923 1.00 61.00 N ATOM 642 CA ALA A 40 1.269 -4.526 -0.223 1.00 61.00 C ATOM 643 C ALA A 40 1.007 -3.068 0.140 1.00 61.00 C ATOM 644 O ALA A 40 1.286 -2.636 1.260 1.00 61.00 O ATOM 645 CB ALA A 40 2.525 -4.648 -1.070 1.00 61.00 C ATOM 0 H ALA A 40 0.326 -5.416 -1.871 1.00 61.00 H new ATOM 0 HA ALA A 40 1.419 -5.085 0.701 1.00 61.00 H new ATOM 0 HB1 ALA A 40 3.369 -4.216 -0.533 1.00 61.00 H new ATOM 0 HB2 ALA A 40 2.725 -5.700 -1.275 1.00 61.00 H new ATOM 0 HB3 ALA A 40 2.383 -4.116 -2.010 1.00 61.00 H new ATOM 651 N VAL A 41 0.444 -2.322 -0.801 1.00 61.00 N ATOM 652 CA VAL A 41 0.150 -0.909 -0.587 1.00 61.00 C ATOM 653 C VAL A 41 -0.898 -0.722 0.505 1.00 61.00 C ATOM 654 O VAL A 41 -0.727 0.090 1.412 1.00 61.00 O ATOM 655 CB VAL A 41 -0.348 -0.232 -1.882 1.00 61.00 C ATOM 656 CG1 VAL A 41 -0.628 1.244 -1.651 1.00 61.00 C ATOM 657 CG2 VAL A 41 0.652 -0.408 -3.006 1.00 61.00 C ATOM 0 H VAL A 41 0.181 -2.672 -1.722 1.00 61.00 H new ATOM 0 HA VAL A 41 1.083 -0.439 -0.276 1.00 61.00 H new ATOM 0 HB VAL A 41 -1.280 -0.718 -2.172 1.00 61.00 H new ATOM 0 HG11 VAL A 41 -0.977 1.698 -2.579 1.00 61.00 H new ATOM 0 HG12 VAL A 41 -1.393 1.353 -0.883 1.00 61.00 H new ATOM 0 HG13 VAL A 41 0.286 1.741 -1.326 1.00 61.00 H new ATOM 0 HG21 VAL A 41 0.277 0.078 -3.906 1.00 61.00 H new ATOM 0 HG22 VAL A 41 1.603 0.041 -2.721 1.00 61.00 H new ATOM 0 HG23 VAL A 41 0.797 -1.471 -3.201 1.00 61.00 H new ATOM 667 N VAL A 42 -1.982 -1.485 0.421 1.00 61.00 N ATOM 668 CA VAL A 42 -3.069 -1.341 1.373 1.00 61.00 C ATOM 669 C VAL A 42 -2.643 -1.800 2.771 1.00 61.00 C ATOM 670 O VAL A 42 -2.989 -1.163 3.764 1.00 61.00 O ATOM 671 CB VAL A 42 -4.346 -2.086 0.918 1.00 61.00 C ATOM 672 CG1 VAL A 42 -4.122 -3.583 0.818 1.00 61.00 C ATOM 673 CG2 VAL A 42 -5.505 -1.779 1.848 1.00 61.00 C ATOM 0 H VAL A 42 -2.128 -2.202 -0.290 1.00 61.00 H new ATOM 0 HA VAL A 42 -3.312 -0.279 1.418 1.00 61.00 H new ATOM 0 HB VAL A 42 -4.595 -1.726 -0.081 1.00 61.00 H new ATOM 0 HG11 VAL A 42 -5.043 -4.068 0.496 1.00 61.00 H new ATOM 0 HG12 VAL A 42 -3.333 -3.785 0.094 1.00 61.00 H new ATOM 0 HG13 VAL A 42 -3.829 -3.973 1.793 1.00 61.00 H new ATOM 0 HG21 VAL A 42 -6.394 -2.313 1.511 1.00 61.00 H new ATOM 0 HG22 VAL A 42 -5.253 -2.097 2.860 1.00 61.00 H new ATOM 0 HG23 VAL A 42 -5.702 -0.707 1.843 1.00 61.00 H new ATOM 683 N LYS A 43 -1.860 -2.877 2.848 1.00 61.00 N ATOM 684 CA LYS A 43 -1.373 -3.363 4.134 1.00 61.00 C ATOM 685 C LYS A 43 -0.469 -2.320 4.789 1.00 61.00 C ATOM 686 O LYS A 43 -0.419 -2.210 6.016 1.00 61.00 O ATOM 687 CB LYS A 43 -0.624 -4.696 3.988 1.00 61.00 C ATOM 688 CG LYS A 43 -1.527 -5.885 3.679 1.00 61.00 C ATOM 689 CD LYS A 43 -0.743 -7.192 3.643 1.00 61.00 C ATOM 690 CE LYS A 43 -1.650 -8.387 3.372 1.00 61.00 C ATOM 691 NZ LYS A 43 -0.916 -9.687 3.416 1.00 61.00 N ATOM 0 H LYS A 43 -1.554 -3.423 2.043 1.00 61.00 H new ATOM 0 HA LYS A 43 -2.240 -3.535 4.772 1.00 61.00 H new ATOM 0 HB2 LYS A 43 0.117 -4.600 3.194 1.00 61.00 H new ATOM 0 HB3 LYS A 43 -0.079 -4.897 4.910 1.00 61.00 H new ATOM 0 HG2 LYS A 43 -2.312 -5.952 4.432 1.00 61.00 H new ATOM 0 HG3 LYS A 43 -2.019 -5.729 2.719 1.00 61.00 H new ATOM 0 HD2 LYS A 43 0.024 -7.135 2.871 1.00 61.00 H new ATOM 0 HD3 LYS A 43 -0.228 -7.334 4.593 1.00 61.00 H new ATOM 0 HE2 LYS A 43 -2.454 -8.403 4.108 1.00 61.00 H new ATOM 0 HE3 LYS A 43 -2.116 -8.270 2.394 1.00 61.00 H new ATOM 0 HZ1 LYS A 43 -1.549 -10.453 3.110 1.00 61.00 H new ATOM 0 HZ2 LYS A 43 -0.093 -9.643 2.781 1.00 61.00 H new ATOM 0 HZ3 LYS A 43 -0.594 -9.871 4.388 1.00 61.00 H new ATOM 705 N ALA A 44 0.223 -1.548 3.962 1.00 61.00 N ATOM 706 CA ALA A 44 1.090 -0.484 4.451 1.00 61.00 C ATOM 707 C ALA A 44 0.280 0.592 5.169 1.00 61.00 C ATOM 708 O ALA A 44 0.656 1.049 6.248 1.00 61.00 O ATOM 709 CB ALA A 44 1.873 0.127 3.301 1.00 61.00 C ATOM 0 H ALA A 44 0.201 -1.639 2.946 1.00 61.00 H new ATOM 0 HA ALA A 44 1.791 -0.917 5.165 1.00 61.00 H new ATOM 0 HB1 ALA A 44 2.517 0.921 3.680 1.00 61.00 H new ATOM 0 HB2 ALA A 44 2.485 -0.642 2.828 1.00 61.00 H new ATOM 0 HB3 ALA A 44 1.180 0.541 2.568 1.00 61.00 H new ATOM 715 N VAL A 45 -0.837 0.984 4.573 1.00 61.00 N ATOM 716 CA VAL A 45 -1.697 2.010 5.155 1.00 61.00 C ATOM 717 C VAL A 45 -2.452 1.467 6.366 1.00 61.00 C ATOM 718 O VAL A 45 -2.642 2.167 7.362 1.00 61.00 O ATOM 719 CB VAL A 45 -2.710 2.546 4.123 1.00 61.00 C ATOM 720 CG1 VAL A 45 -3.600 3.613 4.738 1.00 61.00 C ATOM 721 CG2 VAL A 45 -1.986 3.092 2.903 1.00 61.00 C ATOM 0 H VAL A 45 -1.171 0.608 3.686 1.00 61.00 H new ATOM 0 HA VAL A 45 -1.050 2.828 5.471 1.00 61.00 H new ATOM 0 HB VAL A 45 -3.345 1.718 3.808 1.00 61.00 H new ATOM 0 HG11 VAL A 45 -4.305 3.974 3.990 1.00 61.00 H new ATOM 0 HG12 VAL A 45 -4.149 3.189 5.579 1.00 61.00 H new ATOM 0 HG13 VAL A 45 -2.985 4.442 5.088 1.00 61.00 H new ATOM 0 HG21 VAL A 45 -2.715 3.466 2.184 1.00 61.00 H new ATOM 0 HG22 VAL A 45 -1.325 3.904 3.205 1.00 61.00 H new ATOM 0 HG23 VAL A 45 -1.398 2.298 2.443 1.00 61.00 H new ATOM 731 N ILE A 46 -2.877 0.213 6.272 1.00 61.00 N ATOM 732 CA ILE A 46 -3.619 -0.440 7.345 1.00 61.00 C ATOM 733 C ILE A 46 -2.792 -0.514 8.633 1.00 61.00 C ATOM 734 O ILE A 46 -3.316 -0.304 9.729 1.00 61.00 O ATOM 735 CB ILE A 46 -4.075 -1.854 6.907 1.00 61.00 C ATOM 736 CG1 ILE A 46 -5.168 -1.735 5.841 1.00 61.00 C ATOM 737 CG2 ILE A 46 -4.569 -2.669 8.094 1.00 61.00 C ATOM 738 CD1 ILE A 46 -5.619 -3.059 5.260 1.00 61.00 C ATOM 0 H ILE A 46 -2.719 -0.377 5.455 1.00 61.00 H new ATOM 0 HA ILE A 46 -4.503 0.162 7.554 1.00 61.00 H new ATOM 0 HB ILE A 46 -3.218 -2.379 6.485 1.00 61.00 H new ATOM 0 HG12 ILE A 46 -6.030 -1.230 6.276 1.00 61.00 H new ATOM 0 HG13 ILE A 46 -4.803 -1.102 5.032 1.00 61.00 H new ATOM 0 HG21 ILE A 46 -4.882 -3.656 7.753 1.00 61.00 H new ATOM 0 HG22 ILE A 46 -3.765 -2.775 8.823 1.00 61.00 H new ATOM 0 HG23 ILE A 46 -5.414 -2.161 8.558 1.00 61.00 H new ATOM 0 HD11 ILE A 46 -6.394 -2.884 4.514 1.00 61.00 H new ATOM 0 HD12 ILE A 46 -4.771 -3.559 4.792 1.00 61.00 H new ATOM 0 HD13 ILE A 46 -6.017 -3.689 6.056 1.00 61.00 H new ATOM 750 N HIS A 47 -1.498 -0.778 8.499 1.00 61.00 N ATOM 751 CA HIS A 47 -0.630 -0.887 9.671 1.00 61.00 C ATOM 752 C HIS A 47 -0.104 0.473 10.103 1.00 61.00 C ATOM 753 O HIS A 47 0.353 0.639 11.233 1.00 61.00 O ATOM 754 CB HIS A 47 0.537 -1.837 9.411 1.00 61.00 C ATOM 755 CG HIS A 47 0.117 -3.263 9.264 1.00 61.00 C ATOM 756 ND1 HIS A 47 -0.539 -3.954 10.256 1.00 61.00 N ATOM 757 CD2 HIS A 47 0.232 -4.119 8.225 1.00 61.00 C ATOM 758 CE1 HIS A 47 -0.817 -5.169 9.832 1.00 61.00 C ATOM 759 NE2 HIS A 47 -0.359 -5.300 8.599 1.00 61.00 N ATOM 0 H HIS A 47 -1.029 -0.919 7.604 1.00 61.00 H new ATOM 0 HA HIS A 47 -1.237 -1.295 10.479 1.00 61.00 H new ATOM 0 HB2 HIS A 47 1.057 -1.523 8.506 1.00 61.00 H new ATOM 0 HB3 HIS A 47 1.250 -1.758 10.232 1.00 61.00 H new ATOM 0 HD1 HIS A 47 -0.774 -3.583 11.177 1.00 61.00 H new ATOM 0 HD2 HIS A 47 0.702 -3.912 7.275 1.00 61.00 H new ATOM 0 HE1 HIS A 47 -1.333 -5.931 10.397 1.00 61.00 H new ATOM 768 N GLY A 48 -0.162 1.442 9.204 1.00 61.00 N ATOM 769 CA GLY A 48 0.305 2.773 9.536 1.00 61.00 C ATOM 770 C GLY A 48 1.738 3.013 9.102 1.00 61.00 C ATOM 771 O GLY A 48 2.439 3.835 9.689 1.00 61.00 O ATOM 0 H GLY A 48 -0.522 1.334 8.256 1.00 61.00 H new ATOM 0 HA2 GLY A 48 -0.343 3.510 9.062 1.00 61.00 H new ATOM 0 HA3 GLY A 48 0.225 2.924 10.613 1.00 61.00 H new ATOM 775 N LEU A 49 2.173 2.283 8.085 1.00 61.00 N ATOM 776 CA LEU A 49 3.492 2.481 7.495 1.00 61.00 C ATOM 777 C LEU A 49 3.475 3.754 6.670 1.00 61.00 C ATOM 778 O LEU A 49 4.335 4.630 6.799 1.00 61.00 O ATOM 779 CB LEU A 49 3.848 1.292 6.598 1.00 61.00 C ATOM 780 CG LEU A 49 5.201 1.388 5.893 1.00 61.00 C ATOM 781 CD1 LEU A 49 6.329 1.236 6.896 1.00 61.00 C ATOM 782 CD2 LEU A 49 5.303 0.339 4.795 1.00 61.00 C ATOM 0 H LEU A 49 1.627 1.541 7.647 1.00 61.00 H new ATOM 0 HA LEU A 49 4.237 2.561 8.286 1.00 61.00 H new ATOM 0 HB2 LEU A 49 3.835 0.385 7.203 1.00 61.00 H new ATOM 0 HB3 LEU A 49 3.070 1.182 5.842 1.00 61.00 H new ATOM 0 HG LEU A 49 5.287 2.371 5.430 1.00 61.00 H new ATOM 0 HD11 LEU A 49 7.287 1.306 6.380 1.00 61.00 H new ATOM 0 HD12 LEU A 49 6.260 2.027 7.643 1.00 61.00 H new ATOM 0 HD13 LEU A 49 6.252 0.266 7.386 1.00 61.00 H new ATOM 0 HD21 LEU A 49 6.272 0.421 4.303 1.00 61.00 H new ATOM 0 HD22 LEU A 49 5.200 -0.655 5.231 1.00 61.00 H new ATOM 0 HD23 LEU A 49 4.510 0.499 4.064 1.00 61.00 H new ATOM 794 N ILE A 50 2.476 3.835 5.815 1.00 61.00 N ATOM 795 CA ILE A 50 2.220 5.029 5.044 1.00 61.00 C ATOM 796 C ILE A 50 0.791 5.460 5.292 1.00 61.00 C ATOM 797 O ILE A 50 -0.010 4.678 5.807 1.00 61.00 O ATOM 798 CB ILE A 50 2.423 4.807 3.529 1.00 61.00 C ATOM 799 CG1 ILE A 50 1.440 3.762 3.006 1.00 61.00 C ATOM 800 CG2 ILE A 50 3.854 4.382 3.238 1.00 61.00 C ATOM 801 CD1 ILE A 50 1.330 3.741 1.501 1.00 61.00 C ATOM 0 H ILE A 50 1.820 3.074 5.637 1.00 61.00 H new ATOM 0 HA ILE A 50 2.929 5.794 5.360 1.00 61.00 H new ATOM 0 HB ILE A 50 2.233 5.749 3.015 1.00 61.00 H new ATOM 0 HG12 ILE A 50 1.750 2.777 3.354 1.00 61.00 H new ATOM 0 HG13 ILE A 50 0.455 3.955 3.432 1.00 61.00 H new ATOM 0 HG21 ILE A 50 3.978 4.230 2.166 1.00 61.00 H new ATOM 0 HG22 ILE A 50 4.540 5.159 3.576 1.00 61.00 H new ATOM 0 HG23 ILE A 50 4.071 3.452 3.763 1.00 61.00 H new ATOM 0 HD11 ILE A 50 0.615 2.976 1.199 1.00 61.00 H new ATOM 0 HD12 ILE A 50 0.990 4.715 1.147 1.00 61.00 H new ATOM 0 HD13 ILE A 50 2.305 3.518 1.068 1.00 61.00 H new ATOM 813 N THR A 51 0.463 6.686 4.949 1.00 61.00 N ATOM 814 CA THR A 51 -0.903 7.136 5.086 1.00 61.00 C ATOM 815 C THR A 51 -1.659 6.893 3.779 1.00 61.00 C ATOM 816 O THR A 51 -1.050 6.715 2.716 1.00 61.00 O ATOM 817 CB THR A 51 -0.988 8.617 5.538 1.00 61.00 C ATOM 818 OG1 THR A 51 -2.351 8.992 5.760 1.00 61.00 O ATOM 819 CG2 THR A 51 -0.363 9.554 4.523 1.00 61.00 C ATOM 0 H THR A 51 1.113 7.380 4.579 1.00 61.00 H new ATOM 0 HA THR A 51 -1.379 6.554 5.876 1.00 61.00 H new ATOM 0 HB THR A 51 -0.427 8.704 6.469 1.00 61.00 H new ATOM 0 HG1 THR A 51 -2.390 9.928 6.046 1.00 61.00 H new ATOM 0 HG21 THR A 51 -0.444 10.581 4.878 1.00 61.00 H new ATOM 0 HG22 THR A 51 0.688 9.298 4.390 1.00 61.00 H new ATOM 0 HG23 THR A 51 -0.883 9.458 3.570 1.00 61.00 H new ATOM 827 N GLU A 52 -2.980 6.862 3.872 1.00 61.00 N ATOM 828 CA GLU A 52 -3.831 6.478 2.754 1.00 61.00 C ATOM 829 C GLU A 52 -3.576 7.368 1.539 1.00 61.00 C ATOM 830 O GLU A 52 -3.425 6.877 0.421 1.00 61.00 O ATOM 831 CB GLU A 52 -5.299 6.538 3.178 1.00 61.00 C ATOM 832 CG GLU A 52 -6.250 5.856 2.212 1.00 61.00 C ATOM 833 CD GLU A 52 -7.682 5.857 2.705 1.00 61.00 C ATOM 834 OE1 GLU A 52 -8.235 6.950 2.935 1.00 61.00 O ATOM 835 OE2 GLU A 52 -8.264 4.757 2.861 1.00 61.00 O ATOM 0 H GLU A 52 -3.492 7.101 4.721 1.00 61.00 H new ATOM 0 HA GLU A 52 -3.590 5.455 2.466 1.00 61.00 H new ATOM 0 HB2 GLU A 52 -5.402 6.076 4.160 1.00 61.00 H new ATOM 0 HB3 GLU A 52 -5.593 7.582 3.285 1.00 61.00 H new ATOM 0 HG2 GLU A 52 -6.202 6.358 1.246 1.00 61.00 H new ATOM 0 HG3 GLU A 52 -5.925 4.828 2.053 1.00 61.00 H new ATOM 842 N ARG A 53 -3.500 8.673 1.763 1.00 61.00 N ATOM 843 CA ARG A 53 -3.218 9.607 0.682 1.00 61.00 C ATOM 844 C ARG A 53 -1.779 9.503 0.206 1.00 61.00 C ATOM 845 O ARG A 53 -1.489 9.799 -0.942 1.00 61.00 O ATOM 846 CB ARG A 53 -3.522 11.045 1.079 1.00 61.00 C ATOM 847 CG ARG A 53 -4.978 11.419 0.887 1.00 61.00 C ATOM 848 CD ARG A 53 -5.111 12.868 0.468 1.00 61.00 C ATOM 849 NE ARG A 53 -4.376 13.151 -0.768 1.00 61.00 N ATOM 850 CZ ARG A 53 -4.904 13.776 -1.819 1.00 61.00 C ATOM 851 NH1 ARG A 53 -6.195 14.077 -1.835 1.00 61.00 N ATOM 852 NH2 ARG A 53 -4.155 14.064 -2.874 1.00 61.00 N ATOM 0 H ARG A 53 -3.629 9.107 2.677 1.00 61.00 H new ATOM 0 HA ARG A 53 -3.878 9.328 -0.140 1.00 61.00 H new ATOM 0 HB2 ARG A 53 -3.250 11.192 2.124 1.00 61.00 H new ATOM 0 HB3 ARG A 53 -2.899 11.718 0.489 1.00 61.00 H new ATOM 0 HG2 ARG A 53 -5.427 10.775 0.131 1.00 61.00 H new ATOM 0 HG3 ARG A 53 -5.526 11.252 1.814 1.00 61.00 H new ATOM 0 HD2 ARG A 53 -6.165 13.109 0.327 1.00 61.00 H new ATOM 0 HD3 ARG A 53 -4.741 13.512 1.266 1.00 61.00 H new ATOM 0 HE ARG A 53 -3.403 12.852 -0.827 1.00 61.00 H new ATOM 0 HH11 ARG A 53 -6.786 13.830 -1.041 1.00 61.00 H new ATOM 0 HH12 ARG A 53 -6.597 14.556 -2.641 1.00 61.00 H new ATOM 0 HH21 ARG A 53 -3.168 13.807 -2.884 1.00 61.00 H new ATOM 0 HH22 ARG A 53 -4.566 14.543 -3.676 1.00 61.00 H new ATOM 866 N GLU A 54 -0.880 9.070 1.079 1.00 61.00 N ATOM 867 CA GLU A 54 0.513 8.899 0.693 1.00 61.00 C ATOM 868 C GLU A 54 0.610 7.843 -0.398 1.00 61.00 C ATOM 869 O GLU A 54 1.404 7.969 -1.332 1.00 61.00 O ATOM 870 CB GLU A 54 1.372 8.519 1.904 1.00 61.00 C ATOM 871 CG GLU A 54 2.815 8.201 1.558 1.00 61.00 C ATOM 872 CD GLU A 54 3.737 8.247 2.759 1.00 61.00 C ATOM 873 OE1 GLU A 54 3.396 7.666 3.810 1.00 61.00 O ATOM 874 OE2 GLU A 54 4.817 8.856 2.648 1.00 61.00 O ATOM 0 H GLU A 54 -1.087 8.833 2.049 1.00 61.00 H new ATOM 0 HA GLU A 54 0.894 9.844 0.305 1.00 61.00 H new ATOM 0 HB2 GLU A 54 1.353 9.339 2.622 1.00 61.00 H new ATOM 0 HB3 GLU A 54 0.927 7.654 2.396 1.00 61.00 H new ATOM 0 HG2 GLU A 54 2.864 7.210 1.107 1.00 61.00 H new ATOM 0 HG3 GLU A 54 3.168 8.910 0.809 1.00 61.00 H new ATOM 881 N ALA A 55 -0.227 6.820 -0.286 1.00 61.00 N ATOM 882 CA ALA A 55 -0.321 5.798 -1.318 1.00 61.00 C ATOM 883 C ALA A 55 -0.880 6.392 -2.609 1.00 61.00 C ATOM 884 O ALA A 55 -0.339 6.178 -3.692 1.00 61.00 O ATOM 885 CB ALA A 55 -1.194 4.651 -0.844 1.00 61.00 C ATOM 0 H ALA A 55 -0.850 6.677 0.509 1.00 61.00 H new ATOM 0 HA ALA A 55 0.680 5.415 -1.519 1.00 61.00 H new ATOM 0 HB1 ALA A 55 -1.256 3.894 -1.626 1.00 61.00 H new ATOM 0 HB2 ALA A 55 -0.761 4.211 0.054 1.00 61.00 H new ATOM 0 HB3 ALA A 55 -2.194 5.023 -0.620 1.00 61.00 H new ATOM 891 N LEU A 56 -1.953 7.160 -2.474 1.00 61.00 N ATOM 892 CA LEU A 56 -2.618 7.776 -3.619 1.00 61.00 C ATOM 893 C LEU A 56 -1.684 8.734 -4.347 1.00 61.00 C ATOM 894 O LEU A 56 -1.458 8.602 -5.545 1.00 61.00 O ATOM 895 CB LEU A 56 -3.864 8.537 -3.158 1.00 61.00 C ATOM 896 CG LEU A 56 -4.864 7.719 -2.345 1.00 61.00 C ATOM 897 CD1 LEU A 56 -5.987 8.605 -1.838 1.00 61.00 C ATOM 898 CD2 LEU A 56 -5.420 6.582 -3.184 1.00 61.00 C ATOM 0 H LEU A 56 -2.386 7.374 -1.575 1.00 61.00 H new ATOM 0 HA LEU A 56 -2.906 6.980 -4.306 1.00 61.00 H new ATOM 0 HB2 LEU A 56 -3.547 9.392 -2.560 1.00 61.00 H new ATOM 0 HB3 LEU A 56 -4.373 8.934 -4.036 1.00 61.00 H new ATOM 0 HG LEU A 56 -4.347 7.294 -1.484 1.00 61.00 H new ATOM 0 HD11 LEU A 56 -6.691 8.006 -1.261 1.00 61.00 H new ATOM 0 HD12 LEU A 56 -5.574 9.390 -1.205 1.00 61.00 H new ATOM 0 HD13 LEU A 56 -6.504 9.057 -2.684 1.00 61.00 H new ATOM 0 HD21 LEU A 56 -6.132 6.007 -2.592 1.00 61.00 H new ATOM 0 HD22 LEU A 56 -5.923 6.989 -4.061 1.00 61.00 H new ATOM 0 HD23 LEU A 56 -4.605 5.932 -3.503 1.00 61.00 H new ATOM 910 N ASP A 57 -1.123 9.673 -3.598 1.00 61.00 N ATOM 911 CA ASP A 57 -0.326 10.757 -4.162 1.00 61.00 C ATOM 912 C ASP A 57 0.935 10.252 -4.853 1.00 61.00 C ATOM 913 O ASP A 57 1.389 10.856 -5.823 1.00 61.00 O ATOM 914 CB ASP A 57 0.042 11.784 -3.080 1.00 61.00 C ATOM 915 CG ASP A 57 -1.123 12.677 -2.688 1.00 61.00 C ATOM 916 OD1 ASP A 57 -1.534 13.515 -3.516 1.00 61.00 O ATOM 917 OD2 ASP A 57 -1.625 12.561 -1.547 1.00 61.00 O ATOM 0 H ASP A 57 -1.207 9.706 -2.582 1.00 61.00 H new ATOM 0 HA ASP A 57 -0.944 11.239 -4.919 1.00 61.00 H new ATOM 0 HB2 ASP A 57 0.403 11.258 -2.196 1.00 61.00 H new ATOM 0 HB3 ASP A 57 0.863 12.404 -3.440 1.00 61.00 H new ATOM 922 N ARG A 58 1.504 9.148 -4.376 1.00 61.00 N ATOM 923 CA ARG A 58 2.739 8.639 -4.970 1.00 61.00 C ATOM 924 C ARG A 58 2.465 7.730 -6.168 1.00 61.00 C ATOM 925 O ARG A 58 3.328 7.557 -7.026 1.00 61.00 O ATOM 926 CB ARG A 58 3.599 7.899 -3.937 1.00 61.00 C ATOM 927 CG ARG A 58 3.008 6.589 -3.447 1.00 61.00 C ATOM 928 CD ARG A 58 3.982 5.842 -2.544 1.00 61.00 C ATOM 929 NE ARG A 58 4.407 6.648 -1.399 1.00 61.00 N ATOM 930 CZ ARG A 58 5.614 6.563 -0.833 1.00 61.00 C ATOM 931 NH1 ARG A 58 6.502 5.672 -1.266 1.00 61.00 N ATOM 932 NH2 ARG A 58 5.937 7.361 0.178 1.00 61.00 N ATOM 0 H ARG A 58 1.141 8.598 -3.597 1.00 61.00 H new ATOM 0 HA ARG A 58 3.292 9.509 -5.323 1.00 61.00 H new ATOM 0 HB2 ARG A 58 4.578 7.700 -4.373 1.00 61.00 H new ATOM 0 HB3 ARG A 58 3.759 8.554 -3.080 1.00 61.00 H new ATOM 0 HG2 ARG A 58 2.084 6.786 -2.904 1.00 61.00 H new ATOM 0 HG3 ARG A 58 2.748 5.963 -4.301 1.00 61.00 H new ATOM 0 HD2 ARG A 58 3.513 4.926 -2.186 1.00 61.00 H new ATOM 0 HD3 ARG A 58 4.857 5.547 -3.123 1.00 61.00 H new ATOM 0 HE ARG A 58 3.741 7.315 -1.009 1.00 61.00 H new ATOM 0 HH11 ARG A 58 6.263 5.047 -2.036 1.00 61.00 H new ATOM 0 HH12 ARG A 58 7.421 5.614 -0.828 1.00 61.00 H new ATOM 0 HH21 ARG A 58 5.262 8.042 0.526 1.00 61.00 H new ATOM 0 HH22 ARG A 58 6.860 7.292 0.607 1.00 61.00 H new ATOM 946 N TYR A 59 1.276 7.149 -6.235 1.00 61.00 N ATOM 947 CA TYR A 59 0.950 6.234 -7.327 1.00 61.00 C ATOM 948 C TYR A 59 -0.081 6.841 -8.274 1.00 61.00 C ATOM 949 O TYR A 59 -0.539 6.176 -9.203 1.00 61.00 O ATOM 950 CB TYR A 59 0.425 4.905 -6.780 1.00 61.00 C ATOM 951 CG TYR A 59 1.443 4.104 -5.994 1.00 61.00 C ATOM 952 CD1 TYR A 59 2.610 3.642 -6.590 1.00 61.00 C ATOM 953 CD2 TYR A 59 1.231 3.805 -4.654 1.00 61.00 C ATOM 954 CE1 TYR A 59 3.532 2.902 -5.873 1.00 61.00 C ATOM 955 CE2 TYR A 59 2.148 3.066 -3.932 1.00 61.00 C ATOM 956 CZ TYR A 59 3.298 2.620 -4.544 1.00 61.00 C ATOM 957 OH TYR A 59 4.207 1.879 -3.828 1.00 61.00 O ATOM 0 H TYR A 59 0.527 7.290 -5.557 1.00 61.00 H new ATOM 0 HA TYR A 59 1.869 6.055 -7.886 1.00 61.00 H new ATOM 0 HB2 TYR A 59 -0.435 5.104 -6.140 1.00 61.00 H new ATOM 0 HB3 TYR A 59 0.069 4.299 -7.613 1.00 61.00 H new ATOM 0 HD1 TYR A 59 2.800 3.864 -7.630 1.00 61.00 H new ATOM 0 HD2 TYR A 59 0.333 4.157 -4.168 1.00 61.00 H new ATOM 0 HE1 TYR A 59 4.432 2.546 -6.352 1.00 61.00 H new ATOM 0 HE2 TYR A 59 1.964 2.839 -2.892 1.00 61.00 H new ATOM 0 HH TYR A 59 5.013 1.741 -4.367 1.00 61.00 H new ATOM 967 N SER A 60 -0.447 8.099 -8.024 1.00 61.00 N ATOM 968 CA SER A 60 -1.436 8.810 -8.841 1.00 61.00 C ATOM 969 C SER A 60 -2.802 8.125 -8.756 1.00 61.00 C ATOM 970 O SER A 60 -3.640 8.256 -9.652 1.00 61.00 O ATOM 971 CB SER A 60 -0.966 8.890 -10.299 1.00 61.00 C ATOM 972 OG SER A 60 0.310 9.503 -10.392 1.00 61.00 O ATOM 0 H SER A 60 -0.070 8.652 -7.255 1.00 61.00 H new ATOM 0 HA SER A 60 -1.538 9.823 -8.452 1.00 61.00 H new ATOM 0 HB2 SER A 60 -0.923 7.888 -10.726 1.00 61.00 H new ATOM 0 HB3 SER A 60 -1.689 9.456 -10.887 1.00 61.00 H new ATOM 0 HG SER A 60 0.587 9.540 -11.331 1.00 61.00 H new ATOM 978 N LEU A 61 -3.026 7.422 -7.656 1.00 61.00 N ATOM 979 CA LEU A 61 -4.256 6.674 -7.457 1.00 61.00 C ATOM 980 C LEU A 61 -5.371 7.585 -6.972 1.00 61.00 C ATOM 981 O LEU A 61 -5.123 8.623 -6.361 1.00 61.00 O ATOM 982 CB LEU A 61 -4.043 5.551 -6.439 1.00 61.00 C ATOM 983 CG LEU A 61 -3.003 4.499 -6.820 1.00 61.00 C ATOM 984 CD1 LEU A 61 -2.778 3.545 -5.662 1.00 61.00 C ATOM 985 CD2 LEU A 61 -3.440 3.735 -8.062 1.00 61.00 C ATOM 0 H LEU A 61 -2.365 7.355 -6.882 1.00 61.00 H new ATOM 0 HA LEU A 61 -4.541 6.243 -8.417 1.00 61.00 H new ATOM 0 HB2 LEU A 61 -3.750 5.998 -5.489 1.00 61.00 H new ATOM 0 HB3 LEU A 61 -4.997 5.049 -6.274 1.00 61.00 H new ATOM 0 HG LEU A 61 -2.064 5.005 -7.045 1.00 61.00 H new ATOM 0 HD11 LEU A 61 -2.035 2.799 -5.944 1.00 61.00 H new ATOM 0 HD12 LEU A 61 -2.422 4.102 -4.795 1.00 61.00 H new ATOM 0 HD13 LEU A 61 -3.715 3.047 -5.413 1.00 61.00 H new ATOM 0 HD21 LEU A 61 -2.685 2.991 -8.316 1.00 61.00 H new ATOM 0 HD22 LEU A 61 -4.390 3.237 -7.867 1.00 61.00 H new ATOM 0 HD23 LEU A 61 -3.559 4.430 -8.894 1.00 61.00 H new ATOM 997 N SER A 62 -6.596 7.190 -7.245 1.00 61.00 N ATOM 998 CA SER A 62 -7.748 7.921 -6.774 1.00 61.00 C ATOM 999 C SER A 62 -8.204 7.347 -5.444 1.00 61.00 C ATOM 1000 O SER A 62 -7.960 6.174 -5.152 1.00 61.00 O ATOM 1001 CB SER A 62 -8.874 7.846 -7.802 1.00 61.00 C ATOM 1002 OG SER A 62 -8.408 8.210 -9.094 1.00 61.00 O ATOM 0 H SER A 62 -6.818 6.360 -7.795 1.00 61.00 H new ATOM 0 HA SER A 62 -7.479 8.968 -6.635 1.00 61.00 H new ATOM 0 HB2 SER A 62 -9.280 6.835 -7.829 1.00 61.00 H new ATOM 0 HB3 SER A 62 -9.687 8.508 -7.505 1.00 61.00 H new ATOM 0 HG SER A 62 -9.146 8.153 -9.736 1.00 61.00 H new ATOM 1008 N GLU A 63 -8.859 8.171 -4.649 1.00 61.00 N ATOM 1009 CA GLU A 63 -9.332 7.771 -3.342 1.00 61.00 C ATOM 1010 C GLU A 63 -10.254 6.559 -3.444 1.00 61.00 C ATOM 1011 O GLU A 63 -10.153 5.616 -2.657 1.00 61.00 O ATOM 1012 CB GLU A 63 -10.066 8.944 -2.712 1.00 61.00 C ATOM 1013 CG GLU A 63 -10.302 8.782 -1.233 1.00 61.00 C ATOM 1014 CD GLU A 63 -11.106 9.924 -0.654 1.00 61.00 C ATOM 1015 OE1 GLU A 63 -12.350 9.905 -0.779 1.00 61.00 O ATOM 1016 OE2 GLU A 63 -10.500 10.859 -0.090 1.00 61.00 O ATOM 0 H GLU A 63 -9.077 9.137 -4.893 1.00 61.00 H new ATOM 0 HA GLU A 63 -8.483 7.487 -2.720 1.00 61.00 H new ATOM 0 HB2 GLU A 63 -9.492 9.855 -2.883 1.00 61.00 H new ATOM 0 HB3 GLU A 63 -11.025 9.073 -3.213 1.00 61.00 H new ATOM 0 HG2 GLU A 63 -10.825 7.843 -1.051 1.00 61.00 H new ATOM 0 HG3 GLU A 63 -9.343 8.718 -0.719 1.00 61.00 H new ATOM 1023 N GLU A 64 -11.130 6.583 -4.445 1.00 61.00 N ATOM 1024 CA GLU A 64 -12.090 5.504 -4.666 1.00 61.00 C ATOM 1025 C GLU A 64 -11.382 4.225 -5.106 1.00 61.00 C ATOM 1026 O GLU A 64 -11.833 3.122 -4.805 1.00 61.00 O ATOM 1027 CB GLU A 64 -13.127 5.939 -5.705 1.00 61.00 C ATOM 1028 CG GLU A 64 -12.516 6.400 -7.015 1.00 61.00 C ATOM 1029 CD GLU A 64 -13.494 7.166 -7.872 1.00 61.00 C ATOM 1030 OE1 GLU A 64 -13.691 8.374 -7.615 1.00 61.00 O ATOM 1031 OE2 GLU A 64 -14.072 6.569 -8.804 1.00 61.00 O ATOM 0 H GLU A 64 -11.195 7.344 -5.121 1.00 61.00 H new ATOM 0 HA GLU A 64 -12.601 5.291 -3.727 1.00 61.00 H new ATOM 0 HB2 GLU A 64 -13.803 5.107 -5.902 1.00 61.00 H new ATOM 0 HB3 GLU A 64 -13.729 6.747 -5.290 1.00 61.00 H new ATOM 0 HG2 GLU A 64 -11.650 7.029 -6.807 1.00 61.00 H new ATOM 0 HG3 GLU A 64 -12.155 5.533 -7.568 1.00 61.00 H new ATOM 1038 N GLU A 65 -10.260 4.388 -5.800 1.00 61.00 N ATOM 1039 CA GLU A 65 -9.433 3.259 -6.210 1.00 61.00 C ATOM 1040 C GLU A 65 -8.944 2.507 -4.974 1.00 61.00 C ATOM 1041 O GLU A 65 -9.252 1.331 -4.779 1.00 61.00 O ATOM 1042 CB GLU A 65 -8.246 3.765 -7.041 1.00 61.00 C ATOM 1043 CG GLU A 65 -7.223 2.701 -7.417 1.00 61.00 C ATOM 1044 CD GLU A 65 -7.715 1.746 -8.486 1.00 61.00 C ATOM 1045 OE1 GLU A 65 -8.304 0.706 -8.141 1.00 61.00 O ATOM 1046 OE2 GLU A 65 -7.480 2.019 -9.682 1.00 61.00 O ATOM 0 H GLU A 65 -9.901 5.297 -6.092 1.00 61.00 H new ATOM 0 HA GLU A 65 -10.021 2.576 -6.823 1.00 61.00 H new ATOM 0 HB2 GLU A 65 -8.629 4.218 -7.955 1.00 61.00 H new ATOM 0 HB3 GLU A 65 -7.740 4.552 -6.482 1.00 61.00 H new ATOM 0 HG2 GLU A 65 -6.313 3.189 -7.767 1.00 61.00 H new ATOM 0 HG3 GLU A 65 -6.957 2.132 -6.526 1.00 61.00 H new ATOM 1053 N PHE A 66 -8.230 3.219 -4.112 1.00 61.00 N ATOM 1054 CA PHE A 66 -7.674 2.622 -2.907 1.00 61.00 C ATOM 1055 C PHE A 66 -8.786 2.137 -1.980 1.00 61.00 C ATOM 1056 O PHE A 66 -8.618 1.154 -1.250 1.00 61.00 O ATOM 1057 CB PHE A 66 -6.793 3.634 -2.179 1.00 61.00 C ATOM 1058 CG PHE A 66 -6.030 3.054 -1.025 1.00 61.00 C ATOM 1059 CD1 PHE A 66 -4.776 2.494 -1.217 1.00 61.00 C ATOM 1060 CD2 PHE A 66 -6.564 3.068 0.250 1.00 61.00 C ATOM 1061 CE1 PHE A 66 -4.073 1.962 -0.155 1.00 61.00 C ATOM 1062 CE2 PHE A 66 -5.865 2.535 1.312 1.00 61.00 C ATOM 1063 CZ PHE A 66 -4.620 1.982 1.109 1.00 61.00 C ATOM 0 H PHE A 66 -8.023 4.211 -4.226 1.00 61.00 H new ATOM 0 HA PHE A 66 -7.068 1.764 -3.198 1.00 61.00 H new ATOM 0 HB2 PHE A 66 -6.087 4.064 -2.889 1.00 61.00 H new ATOM 0 HB3 PHE A 66 -7.417 4.450 -1.816 1.00 61.00 H new ATOM 0 HD1 PHE A 66 -4.345 2.474 -2.207 1.00 61.00 H new ATOM 0 HD2 PHE A 66 -7.539 3.501 0.416 1.00 61.00 H new ATOM 0 HE1 PHE A 66 -3.096 1.531 -0.315 1.00 61.00 H new ATOM 0 HE2 PHE A 66 -6.294 2.551 2.303 1.00 61.00 H new ATOM 0 HZ PHE A 66 -4.073 1.564 1.941 1.00 61.00 H new ATOM 1073 N ALA A 67 -9.919 2.832 -2.013 1.00 61.00 N ATOM 1074 CA ALA A 67 -11.087 2.421 -1.248 1.00 61.00 C ATOM 1075 C ALA A 67 -11.493 1.006 -1.631 1.00 61.00 C ATOM 1076 O ALA A 67 -11.778 0.181 -0.766 1.00 61.00 O ATOM 1077 CB ALA A 67 -12.242 3.384 -1.471 1.00 61.00 C ATOM 0 H ALA A 67 -10.051 3.682 -2.562 1.00 61.00 H new ATOM 0 HA ALA A 67 -10.830 2.438 -0.189 1.00 61.00 H new ATOM 0 HB1 ALA A 67 -13.105 3.058 -0.890 1.00 61.00 H new ATOM 0 HB2 ALA A 67 -11.948 4.385 -1.154 1.00 61.00 H new ATOM 0 HB3 ALA A 67 -12.503 3.401 -2.529 1.00 61.00 H new ATOM 1083 N LEU A 68 -11.495 0.728 -2.930 1.00 61.00 N ATOM 1084 CA LEU A 68 -11.813 -0.603 -3.427 1.00 61.00 C ATOM 1085 C LEU A 68 -10.735 -1.600 -3.011 1.00 61.00 C ATOM 1086 O LEU A 68 -11.042 -2.731 -2.636 1.00 61.00 O ATOM 1087 CB LEU A 68 -11.959 -0.589 -4.950 1.00 61.00 C ATOM 1088 CG LEU A 68 -13.051 0.339 -5.483 1.00 61.00 C ATOM 1089 CD1 LEU A 68 -13.100 0.293 -6.998 1.00 61.00 C ATOM 1090 CD2 LEU A 68 -14.402 -0.031 -4.901 1.00 61.00 C ATOM 0 H LEU A 68 -11.279 1.409 -3.658 1.00 61.00 H new ATOM 0 HA LEU A 68 -12.763 -0.912 -2.990 1.00 61.00 H new ATOM 0 HB2 LEU A 68 -11.006 -0.295 -5.389 1.00 61.00 H new ATOM 0 HB3 LEU A 68 -12.167 -1.604 -5.290 1.00 61.00 H new ATOM 0 HG LEU A 68 -12.810 1.356 -5.175 1.00 61.00 H new ATOM 0 HD11 LEU A 68 -13.884 0.960 -7.357 1.00 61.00 H new ATOM 0 HD12 LEU A 68 -12.139 0.611 -7.403 1.00 61.00 H new ATOM 0 HD13 LEU A 68 -13.313 -0.725 -7.324 1.00 61.00 H new ATOM 0 HD21 LEU A 68 -15.164 0.642 -5.294 1.00 61.00 H new ATOM 0 HD22 LEU A 68 -14.648 -1.057 -5.175 1.00 61.00 H new ATOM 0 HD23 LEU A 68 -14.366 0.056 -3.815 1.00 61.00 H new ATOM 1102 N TRP A 69 -9.477 -1.168 -3.071 1.00 61.00 N ATOM 1103 CA TRP A 69 -8.348 -2.011 -2.663 1.00 61.00 C ATOM 1104 C TRP A 69 -8.550 -2.551 -1.250 1.00 61.00 C ATOM 1105 O TRP A 69 -8.452 -3.755 -1.017 1.00 61.00 O ATOM 1106 CB TRP A 69 -7.023 -1.240 -2.722 1.00 61.00 C ATOM 1107 CG TRP A 69 -6.577 -0.890 -4.111 1.00 61.00 C ATOM 1108 CD1 TRP A 69 -7.353 -0.816 -5.230 1.00 61.00 C ATOM 1109 CD2 TRP A 69 -5.245 -0.563 -4.529 1.00 61.00 C ATOM 1110 NE1 TRP A 69 -6.595 -0.450 -6.310 1.00 61.00 N ATOM 1111 CE2 TRP A 69 -5.297 -0.292 -5.911 1.00 61.00 C ATOM 1112 CE3 TRP A 69 -4.017 -0.468 -3.870 1.00 61.00 C ATOM 1113 CZ2 TRP A 69 -4.169 0.068 -6.642 1.00 61.00 C ATOM 1114 CZ3 TRP A 69 -2.896 -0.114 -4.597 1.00 61.00 C ATOM 1115 CH2 TRP A 69 -2.979 0.149 -5.971 1.00 61.00 C ATOM 0 H TRP A 69 -9.211 -0.239 -3.398 1.00 61.00 H new ATOM 0 HA TRP A 69 -8.304 -2.844 -3.365 1.00 61.00 H new ATOM 0 HB2 TRP A 69 -7.123 -0.322 -2.143 1.00 61.00 H new ATOM 0 HB3 TRP A 69 -6.247 -1.836 -2.243 1.00 61.00 H new ATOM 0 HD1 TRP A 69 -8.414 -1.017 -5.260 1.00 61.00 H new ATOM 0 HE1 TRP A 69 -6.943 -0.317 -7.260 1.00 61.00 H new ATOM 0 HE3 TRP A 69 -3.945 -0.668 -2.811 1.00 61.00 H new ATOM 0 HZ2 TRP A 69 -4.230 0.276 -7.700 1.00 61.00 H new ATOM 0 HZ3 TRP A 69 -1.941 -0.039 -4.098 1.00 61.00 H new ATOM 0 HH2 TRP A 69 -2.085 0.421 -6.512 1.00 61.00 H new ATOM 1126 N ARG A 70 -8.844 -1.664 -0.307 1.00 61.00 N ATOM 1127 CA ARG A 70 -9.018 -2.070 1.079 1.00 61.00 C ATOM 1128 C ARG A 70 -10.381 -2.719 1.308 1.00 61.00 C ATOM 1129 O ARG A 70 -10.556 -3.473 2.259 1.00 61.00 O ATOM 1130 CB ARG A 70 -8.803 -0.889 2.027 1.00 61.00 C ATOM 1131 CG ARG A 70 -9.777 0.261 1.854 1.00 61.00 C ATOM 1132 CD ARG A 70 -9.340 1.460 2.680 1.00 61.00 C ATOM 1133 NE ARG A 70 -9.100 1.095 4.076 1.00 61.00 N ATOM 1134 CZ ARG A 70 -8.029 1.481 4.773 1.00 61.00 C ATOM 1135 NH1 ARG A 70 -7.152 2.316 4.236 1.00 61.00 N ATOM 1136 NH2 ARG A 70 -7.856 1.070 6.021 1.00 61.00 N ATOM 0 H ARG A 70 -8.966 -0.666 -0.477 1.00 61.00 H new ATOM 0 HA ARG A 70 -8.259 -2.821 1.299 1.00 61.00 H new ATOM 0 HB2 ARG A 70 -8.870 -1.250 3.053 1.00 61.00 H new ATOM 0 HB3 ARG A 70 -7.790 -0.511 1.888 1.00 61.00 H new ATOM 0 HG2 ARG A 70 -9.836 0.539 0.802 1.00 61.00 H new ATOM 0 HG3 ARG A 70 -10.776 -0.052 2.158 1.00 61.00 H new ATOM 0 HD2 ARG A 70 -8.431 1.885 2.253 1.00 61.00 H new ATOM 0 HD3 ARG A 70 -10.106 2.234 2.632 1.00 61.00 H new ATOM 0 HE ARG A 70 -9.792 0.511 4.545 1.00 61.00 H new ATOM 0 HH11 ARG A 70 -7.294 2.665 3.288 1.00 61.00 H new ATOM 0 HH12 ARG A 70 -6.334 2.610 4.770 1.00 61.00 H new ATOM 0 HH21 ARG A 70 -8.544 0.454 6.455 1.00 61.00 H new ATOM 0 HH22 ARG A 70 -7.035 1.369 6.547 1.00 61.00 H new ATOM 1150 N SER A 71 -11.338 -2.444 0.435 1.00 61.00 N ATOM 1151 CA SER A 71 -12.632 -3.114 0.502 1.00 61.00 C ATOM 1152 C SER A 71 -12.520 -4.525 -0.062 1.00 61.00 C ATOM 1153 O SER A 71 -13.404 -5.362 0.128 1.00 61.00 O ATOM 1154 CB SER A 71 -13.691 -2.316 -0.256 1.00 61.00 C ATOM 1155 OG SER A 71 -13.839 -1.023 0.303 1.00 61.00 O ATOM 0 H SER A 71 -11.247 -1.768 -0.323 1.00 61.00 H new ATOM 0 HA SER A 71 -12.938 -3.178 1.546 1.00 61.00 H new ATOM 0 HB2 SER A 71 -13.409 -2.234 -1.306 1.00 61.00 H new ATOM 0 HB3 SER A 71 -14.644 -2.843 -0.222 1.00 61.00 H new ATOM 0 HG SER A 71 -13.184 -0.415 -0.100 1.00 61.00 H new ATOM 1161 N ALA A 72 -11.435 -4.769 -0.782 1.00 61.00 N ATOM 1162 CA ALA A 72 -11.127 -6.098 -1.273 1.00 61.00 C ATOM 1163 C ALA A 72 -10.231 -6.845 -0.290 1.00 61.00 C ATOM 1164 O ALA A 72 -10.637 -7.847 0.290 1.00 61.00 O ATOM 1165 CB ALA A 72 -10.456 -6.018 -2.635 1.00 61.00 C ATOM 0 H ALA A 72 -10.751 -4.057 -1.039 1.00 61.00 H new ATOM 0 HA ALA A 72 -12.063 -6.648 -1.373 1.00 61.00 H new ATOM 0 HB1 ALA A 72 -10.231 -7.024 -2.990 1.00 61.00 H new ATOM 0 HB2 ALA A 72 -11.124 -5.525 -3.341 1.00 61.00 H new ATOM 0 HB3 ALA A 72 -9.531 -5.448 -2.552 1.00 61.00 H new ATOM 1171 N VAL A 73 -9.019 -6.332 -0.088 1.00 61.00 N ATOM 1172 CA VAL A 73 -8.011 -7.016 0.722 1.00 61.00 C ATOM 1173 C VAL A 73 -8.414 -7.088 2.196 1.00 61.00 C ATOM 1174 O VAL A 73 -8.405 -8.165 2.794 1.00 61.00 O ATOM 1175 CB VAL A 73 -6.631 -6.333 0.604 1.00 61.00 C ATOM 1176 CG1 VAL A 73 -5.589 -7.077 1.428 1.00 61.00 C ATOM 1177 CG2 VAL A 73 -6.201 -6.250 -0.853 1.00 61.00 C ATOM 0 H VAL A 73 -8.709 -5.441 -0.476 1.00 61.00 H new ATOM 0 HA VAL A 73 -7.942 -8.031 0.330 1.00 61.00 H new ATOM 0 HB VAL A 73 -6.716 -5.320 0.997 1.00 61.00 H new ATOM 0 HG11 VAL A 73 -4.624 -6.579 1.330 1.00 61.00 H new ATOM 0 HG12 VAL A 73 -5.890 -7.083 2.476 1.00 61.00 H new ATOM 0 HG13 VAL A 73 -5.506 -8.103 1.069 1.00 61.00 H new ATOM 0 HG21 VAL A 73 -5.227 -5.766 -0.918 1.00 61.00 H new ATOM 0 HG22 VAL A 73 -6.136 -7.255 -1.271 1.00 61.00 H new ATOM 0 HG23 VAL A 73 -6.932 -5.670 -1.416 1.00 61.00 H new ATOM 1187 N ALA A 74 -8.800 -5.948 2.768 1.00 61.00 N ATOM 1188 CA ALA A 74 -9.129 -5.880 4.191 1.00 61.00 C ATOM 1189 C ALA A 74 -10.527 -6.423 4.456 1.00 61.00 C ATOM 1190 O ALA A 74 -11.065 -6.279 5.552 1.00 61.00 O ATOM 1191 CB ALA A 74 -9.000 -4.451 4.707 1.00 61.00 C ATOM 0 H ALA A 74 -8.892 -5.063 2.270 1.00 61.00 H new ATOM 0 HA ALA A 74 -8.417 -6.505 4.730 1.00 61.00 H new ATOM 0 HB1 ALA A 74 -9.249 -4.423 5.768 1.00 61.00 H new ATOM 0 HB2 ALA A 74 -7.976 -4.104 4.566 1.00 61.00 H new ATOM 0 HB3 ALA A 74 -9.682 -3.803 4.157 1.00 61.00 H new ATOM 1197 N ALA A 75 -11.114 -7.038 3.443 1.00 61.00 N ATOM 1198 CA ALA A 75 -12.387 -7.719 3.593 1.00 61.00 C ATOM 1199 C ALA A 75 -12.307 -9.105 2.967 1.00 61.00 C ATOM 1200 O ALA A 75 -13.320 -9.776 2.778 1.00 61.00 O ATOM 1201 CB ALA A 75 -13.506 -6.906 2.959 1.00 61.00 C ATOM 0 H ALA A 75 -10.725 -7.079 2.501 1.00 61.00 H new ATOM 0 HA ALA A 75 -12.608 -7.826 4.655 1.00 61.00 H new ATOM 0 HB1 ALA A 75 -14.453 -7.432 3.081 1.00 61.00 H new ATOM 0 HB2 ALA A 75 -13.567 -5.932 3.444 1.00 61.00 H new ATOM 0 HB3 ALA A 75 -13.301 -6.771 1.897 1.00 61.00 H new ATOM 1207 N HIS A 76 -11.088 -9.531 2.656 1.00 61.00 N ATOM 1208 CA HIS A 76 -10.870 -10.828 2.033 1.00 61.00 C ATOM 1209 C HIS A 76 -10.385 -11.841 3.056 1.00 61.00 C ATOM 1210 O HIS A 76 -9.272 -11.738 3.573 1.00 61.00 O ATOM 1211 CB HIS A 76 -9.862 -10.720 0.883 1.00 61.00 C ATOM 1212 CG HIS A 76 -9.582 -12.030 0.207 1.00 61.00 C ATOM 1213 ND1 HIS A 76 -8.328 -12.587 0.135 1.00 61.00 N ATOM 1214 CD2 HIS A 76 -10.411 -12.898 -0.419 1.00 61.00 C ATOM 1215 CE1 HIS A 76 -8.396 -13.739 -0.502 1.00 61.00 C ATOM 1216 NE2 HIS A 76 -9.651 -13.957 -0.849 1.00 61.00 N ATOM 0 H HIS A 76 -10.236 -8.996 2.826 1.00 61.00 H new ATOM 0 HA HIS A 76 -11.823 -11.168 1.628 1.00 61.00 H new ATOM 0 HB2 HIS A 76 -10.240 -10.013 0.145 1.00 61.00 H new ATOM 0 HB3 HIS A 76 -8.927 -10.311 1.267 1.00 61.00 H new ATOM 0 HD2 HIS A 76 -11.476 -12.779 -0.555 1.00 61.00 H new ATOM 0 HE1 HIS A 76 -7.563 -14.396 -0.706 1.00 61.00 H new ATOM 0 HE2 HIS A 76 -9.997 -14.774 -1.352 1.00 61.00 H new ATOM 1225 N GLY A 77 -11.232 -12.814 3.333 1.00 61.00 N ATOM 1226 CA GLY A 77 -10.890 -13.863 4.260 1.00 61.00 C ATOM 1227 C GLY A 77 -11.897 -14.983 4.223 1.00 61.00 C ATOM 1228 O GLY A 77 -12.872 -14.979 4.969 1.00 61.00 O ATOM 0 H GLY A 77 -12.163 -12.895 2.925 1.00 61.00 H new ATOM 0 HA2 GLY A 77 -9.901 -14.254 4.020 1.00 61.00 H new ATOM 0 HA3 GLY A 77 -10.835 -13.455 5.269 1.00 61.00 H new ATOM 1232 N GLU A 78 -11.683 -15.928 3.323 1.00 61.00 N ATOM 1233 CA GLU A 78 -12.560 -17.080 3.207 1.00 61.00 C ATOM 1234 C GLU A 78 -11.931 -18.284 3.895 1.00 61.00 C ATOM 1235 O GLU A 78 -12.613 -19.255 4.228 1.00 61.00 O ATOM 1236 CB GLU A 78 -12.848 -17.411 1.732 1.00 61.00 C ATOM 1237 CG GLU A 78 -11.639 -17.920 0.946 1.00 61.00 C ATOM 1238 CD GLU A 78 -10.638 -16.836 0.594 1.00 61.00 C ATOM 1239 OE1 GLU A 78 -9.862 -16.418 1.482 1.00 61.00 O ATOM 1240 OE2 GLU A 78 -10.610 -16.407 -0.579 1.00 61.00 O ATOM 0 H GLU A 78 -10.907 -15.920 2.661 1.00 61.00 H new ATOM 0 HA GLU A 78 -13.505 -16.838 3.693 1.00 61.00 H new ATOM 0 HB2 GLU A 78 -13.636 -18.163 1.689 1.00 61.00 H new ATOM 0 HB3 GLU A 78 -13.234 -16.517 1.241 1.00 61.00 H new ATOM 0 HG2 GLU A 78 -11.136 -18.691 1.530 1.00 61.00 H new ATOM 0 HG3 GLU A 78 -11.987 -18.392 0.027 1.00 61.00 H new ATOM 1247 N LYS A 79 -10.625 -18.209 4.106 1.00 61.00 N ATOM 1248 CA LYS A 79 -9.873 -19.314 4.678 1.00 61.00 C ATOM 1249 C LYS A 79 -10.081 -19.405 6.187 1.00 61.00 C ATOM 1250 O LYS A 79 -10.562 -20.421 6.691 1.00 61.00 O ATOM 1251 CB LYS A 79 -8.385 -19.172 4.350 1.00 61.00 C ATOM 1252 CG LYS A 79 -8.086 -19.235 2.860 1.00 61.00 C ATOM 1253 CD LYS A 79 -6.602 -19.057 2.581 1.00 61.00 C ATOM 1254 CE LYS A 79 -6.301 -19.086 1.088 1.00 61.00 C ATOM 1255 NZ LYS A 79 -7.114 -18.095 0.340 1.00 61.00 N ATOM 0 H LYS A 79 -10.061 -17.387 3.887 1.00 61.00 H new ATOM 0 HA LYS A 79 -10.244 -20.238 4.234 1.00 61.00 H new ATOM 0 HB2 LYS A 79 -8.022 -18.223 4.746 1.00 61.00 H new ATOM 0 HB3 LYS A 79 -7.832 -19.962 4.858 1.00 61.00 H new ATOM 0 HG2 LYS A 79 -8.420 -20.193 2.461 1.00 61.00 H new ATOM 0 HG3 LYS A 79 -8.650 -18.460 2.342 1.00 61.00 H new ATOM 0 HD2 LYS A 79 -6.264 -18.110 3.002 1.00 61.00 H new ATOM 0 HD3 LYS A 79 -6.041 -19.847 3.081 1.00 61.00 H new ATOM 0 HE2 LYS A 79 -5.242 -18.882 0.927 1.00 61.00 H new ATOM 0 HE3 LYS A 79 -6.497 -20.085 0.698 1.00 61.00 H new ATOM 0 HZ1 LYS A 79 -6.703 -17.950 -0.604 1.00 61.00 H new ATOM 0 HZ2 LYS A 79 -8.088 -18.447 0.243 1.00 61.00 H new ATOM 0 HZ3 LYS A 79 -7.122 -17.192 0.856 1.00 61.00 H new ATOM 1269 N ALA A 80 -9.728 -18.343 6.905 1.00 61.00 N ATOM 1270 CA ALA A 80 -9.839 -18.344 8.359 1.00 61.00 C ATOM 1271 C ALA A 80 -9.973 -16.929 8.906 1.00 61.00 C ATOM 1272 O ALA A 80 -9.242 -16.023 8.503 1.00 61.00 O ATOM 1273 CB ALA A 80 -8.629 -19.028 8.981 1.00 61.00 C ATOM 0 H ALA A 80 -9.365 -17.477 6.507 1.00 61.00 H new ATOM 0 HA ALA A 80 -10.740 -18.897 8.623 1.00 61.00 H new ATOM 0 HB1 ALA A 80 -8.725 -19.021 10.067 1.00 61.00 H new ATOM 0 HB2 ALA A 80 -8.572 -20.058 8.628 1.00 61.00 H new ATOM 0 HB3 ALA A 80 -7.722 -18.495 8.694 1.00 61.00 H new ATOM 1279 N LEU A 81 -10.904 -16.752 9.830 1.00 61.00 N ATOM 1280 CA LEU A 81 -11.101 -15.475 10.496 1.00 61.00 C ATOM 1281 C LEU A 81 -10.724 -15.606 11.963 1.00 61.00 C ATOM 1282 O LEU A 81 -11.568 -15.908 12.808 1.00 61.00 O ATOM 1283 CB LEU A 81 -12.554 -14.983 10.381 1.00 61.00 C ATOM 1284 CG LEU A 81 -12.999 -14.473 9.004 1.00 61.00 C ATOM 1285 CD1 LEU A 81 -13.104 -15.613 8.001 1.00 61.00 C ATOM 1286 CD2 LEU A 81 -14.333 -13.752 9.121 1.00 61.00 C ATOM 0 H LEU A 81 -11.542 -17.486 10.138 1.00 61.00 H new ATOM 0 HA LEU A 81 -10.462 -14.741 10.004 1.00 61.00 H new ATOM 0 HB2 LEU A 81 -13.214 -15.800 10.672 1.00 61.00 H new ATOM 0 HB3 LEU A 81 -12.701 -14.182 11.105 1.00 61.00 H new ATOM 0 HG LEU A 81 -12.245 -13.775 8.641 1.00 61.00 H new ATOM 0 HD11 LEU A 81 -13.421 -15.220 7.035 1.00 61.00 H new ATOM 0 HD12 LEU A 81 -12.132 -16.095 7.895 1.00 61.00 H new ATOM 0 HD13 LEU A 81 -13.834 -16.342 8.354 1.00 61.00 H new ATOM 0 HD21 LEU A 81 -14.640 -13.394 8.139 1.00 61.00 H new ATOM 0 HD22 LEU A 81 -15.085 -14.439 9.508 1.00 61.00 H new ATOM 0 HD23 LEU A 81 -14.231 -12.906 9.800 1.00 61.00 H new ATOM 1298 N LYS A 82 -9.445 -15.419 12.254 1.00 61.00 N ATOM 1299 CA LYS A 82 -8.958 -15.484 13.623 1.00 61.00 C ATOM 1300 C LYS A 82 -9.558 -14.336 14.432 1.00 61.00 C ATOM 1301 O LYS A 82 -9.914 -13.304 13.869 1.00 61.00 O ATOM 1302 CB LYS A 82 -7.424 -15.401 13.636 1.00 61.00 C ATOM 1303 CG LYS A 82 -6.792 -15.769 14.970 1.00 61.00 C ATOM 1304 CD LYS A 82 -7.037 -17.231 15.314 1.00 61.00 C ATOM 1305 CE LYS A 82 -6.393 -17.618 16.636 1.00 61.00 C ATOM 1306 NZ LYS A 82 -6.637 -19.045 16.969 1.00 61.00 N ATOM 0 H LYS A 82 -8.725 -15.221 11.559 1.00 61.00 H new ATOM 0 HA LYS A 82 -9.259 -16.431 14.072 1.00 61.00 H new ATOM 0 HB2 LYS A 82 -7.029 -16.062 12.865 1.00 61.00 H new ATOM 0 HB3 LYS A 82 -7.124 -14.387 13.372 1.00 61.00 H new ATOM 0 HG2 LYS A 82 -5.720 -15.577 14.932 1.00 61.00 H new ATOM 0 HG3 LYS A 82 -7.202 -15.135 15.756 1.00 61.00 H new ATOM 0 HD2 LYS A 82 -8.110 -17.417 15.365 1.00 61.00 H new ATOM 0 HD3 LYS A 82 -6.641 -17.862 14.519 1.00 61.00 H new ATOM 0 HE2 LYS A 82 -5.320 -17.434 16.585 1.00 61.00 H new ATOM 0 HE3 LYS A 82 -6.787 -16.986 17.432 1.00 61.00 H new ATOM 0 HZ1 LYS A 82 -6.183 -19.272 17.877 1.00 61.00 H new ATOM 0 HZ2 LYS A 82 -7.661 -19.214 17.042 1.00 61.00 H new ATOM 0 HZ3 LYS A 82 -6.238 -19.649 16.222 1.00 61.00 H new ATOM 1320 N VAL A 83 -9.674 -14.511 15.744 1.00 61.00 N ATOM 1321 CA VAL A 83 -10.187 -13.456 16.620 1.00 61.00 C ATOM 1322 C VAL A 83 -9.337 -12.189 16.502 1.00 61.00 C ATOM 1323 O VAL A 83 -9.791 -11.082 16.789 1.00 61.00 O ATOM 1324 CB VAL A 83 -10.245 -13.929 18.094 1.00 61.00 C ATOM 1325 CG1 VAL A 83 -8.854 -14.258 18.623 1.00 61.00 C ATOM 1326 CG2 VAL A 83 -10.932 -12.893 18.974 1.00 61.00 C ATOM 0 H VAL A 83 -9.420 -15.373 16.227 1.00 61.00 H new ATOM 0 HA VAL A 83 -11.202 -13.225 16.297 1.00 61.00 H new ATOM 0 HB VAL A 83 -10.838 -14.843 18.126 1.00 61.00 H new ATOM 0 HG11 VAL A 83 -8.927 -14.587 19.660 1.00 61.00 H new ATOM 0 HG12 VAL A 83 -8.414 -15.053 18.020 1.00 61.00 H new ATOM 0 HG13 VAL A 83 -8.224 -13.370 18.568 1.00 61.00 H new ATOM 0 HG21 VAL A 83 -10.959 -13.250 20.003 1.00 61.00 H new ATOM 0 HG22 VAL A 83 -10.379 -11.954 18.930 1.00 61.00 H new ATOM 0 HG23 VAL A 83 -11.950 -12.732 18.619 1.00 61.00 H new ATOM 1336 N THR A 84 -8.109 -12.363 16.042 1.00 61.00 N ATOM 1337 CA THR A 84 -7.188 -11.261 15.831 1.00 61.00 C ATOM 1338 C THR A 84 -7.395 -10.626 14.445 1.00 61.00 C ATOM 1339 O THR A 84 -6.844 -9.564 14.140 1.00 61.00 O ATOM 1340 CB THR A 84 -5.744 -11.782 15.952 1.00 61.00 C ATOM 1341 OG1 THR A 84 -5.619 -12.565 17.146 1.00 61.00 O ATOM 1342 CG2 THR A 84 -4.737 -10.643 15.984 1.00 61.00 C ATOM 0 H THR A 84 -7.722 -13.276 15.804 1.00 61.00 H new ATOM 0 HA THR A 84 -7.376 -10.497 16.586 1.00 61.00 H new ATOM 0 HB THR A 84 -5.531 -12.394 15.075 1.00 61.00 H new ATOM 0 HG1 THR A 84 -4.701 -12.899 17.224 1.00 61.00 H new ATOM 0 HG21 THR A 84 -3.730 -11.050 16.070 1.00 61.00 H new ATOM 0 HG22 THR A 84 -4.816 -10.061 15.065 1.00 61.00 H new ATOM 0 HG23 THR A 84 -4.942 -10.000 16.840 1.00 61.00 H new ATOM 1350 N MET A 85 -8.214 -11.268 13.617 1.00 61.00 N ATOM 1351 CA MET A 85 -8.363 -10.871 12.221 1.00 61.00 C ATOM 1352 C MET A 85 -9.510 -9.880 12.030 1.00 61.00 C ATOM 1353 O MET A 85 -9.478 -9.063 11.109 1.00 61.00 O ATOM 1354 CB MET A 85 -8.591 -12.104 11.337 1.00 61.00 C ATOM 1355 CG MET A 85 -8.290 -11.857 9.868 1.00 61.00 C ATOM 1356 SD MET A 85 -6.577 -11.360 9.587 1.00 61.00 S ATOM 1357 CE MET A 85 -5.706 -12.832 10.121 1.00 61.00 C ATOM 0 H MET A 85 -8.786 -12.067 13.890 1.00 61.00 H new ATOM 0 HA MET A 85 -7.438 -10.376 11.925 1.00 61.00 H new ATOM 0 HB2 MET A 85 -7.965 -12.920 11.696 1.00 61.00 H new ATOM 0 HB3 MET A 85 -9.627 -12.428 11.439 1.00 61.00 H new ATOM 0 HG2 MET A 85 -8.500 -12.763 9.300 1.00 61.00 H new ATOM 0 HG3 MET A 85 -8.957 -11.082 9.489 1.00 61.00 H new ATOM 0 HE1 MET A 85 -4.691 -12.819 9.723 1.00 61.00 H new ATOM 0 HE2 MET A 85 -5.669 -12.858 11.210 1.00 61.00 H new ATOM 0 HE3 MET A 85 -6.228 -13.716 9.755 1.00 61.00 H new ATOM 1367 N ILE A 86 -10.514 -9.938 12.907 1.00 61.00 N ATOM 1368 CA ILE A 86 -11.696 -9.078 12.783 1.00 61.00 C ATOM 1369 C ILE A 86 -11.300 -7.601 12.795 1.00 61.00 C ATOM 1370 O ILE A 86 -11.872 -6.793 12.064 1.00 61.00 O ATOM 1371 CB ILE A 86 -12.746 -9.345 13.895 1.00 61.00 C ATOM 1372 CG1 ILE A 86 -13.305 -10.767 13.799 1.00 61.00 C ATOM 1373 CG2 ILE A 86 -13.887 -8.339 13.815 1.00 61.00 C ATOM 1374 CD1 ILE A 86 -12.505 -11.799 14.562 1.00 61.00 C ATOM 0 H ILE A 86 -10.534 -10.568 13.709 1.00 61.00 H new ATOM 0 HA ILE A 86 -12.156 -9.324 11.826 1.00 61.00 H new ATOM 0 HB ILE A 86 -12.241 -9.234 14.854 1.00 61.00 H new ATOM 0 HG12 ILE A 86 -14.329 -10.769 14.172 1.00 61.00 H new ATOM 0 HG13 ILE A 86 -13.347 -11.059 12.750 1.00 61.00 H new ATOM 0 HG21 ILE A 86 -14.610 -8.546 14.604 1.00 61.00 H new ATOM 0 HG22 ILE A 86 -13.492 -7.331 13.940 1.00 61.00 H new ATOM 0 HG23 ILE A 86 -14.376 -8.420 12.844 1.00 61.00 H new ATOM 0 HD11 ILE A 86 -12.967 -12.779 14.443 1.00 61.00 H new ATOM 0 HD12 ILE A 86 -11.486 -11.829 14.175 1.00 61.00 H new ATOM 0 HD13 ILE A 86 -12.484 -11.534 15.619 1.00 61.00 H new ATOM 1386 N GLN A 87 -10.305 -7.267 13.616 1.00 61.00 N ATOM 1387 CA GLN A 87 -9.752 -5.914 13.668 1.00 61.00 C ATOM 1388 C GLN A 87 -9.422 -5.390 12.266 1.00 61.00 C ATOM 1389 O GLN A 87 -9.756 -4.256 11.919 1.00 61.00 O ATOM 1390 CB GLN A 87 -8.492 -5.915 14.541 1.00 61.00 C ATOM 1391 CG GLN A 87 -7.645 -4.656 14.424 1.00 61.00 C ATOM 1392 CD GLN A 87 -6.378 -4.734 15.252 1.00 61.00 C ATOM 1393 OE1 GLN A 87 -5.358 -5.251 14.790 1.00 61.00 O ATOM 1394 NE2 GLN A 87 -6.419 -4.208 16.466 1.00 61.00 N ATOM 0 H GLN A 87 -9.862 -7.922 14.260 1.00 61.00 H new ATOM 0 HA GLN A 87 -10.501 -5.251 14.101 1.00 61.00 H new ATOM 0 HB2 GLN A 87 -8.786 -6.045 15.582 1.00 61.00 H new ATOM 0 HB3 GLN A 87 -7.880 -6.776 14.273 1.00 61.00 H new ATOM 0 HG2 GLN A 87 -7.383 -4.493 13.378 1.00 61.00 H new ATOM 0 HG3 GLN A 87 -8.232 -3.795 14.743 1.00 61.00 H new ATOM 0 HE21 GLN A 87 -7.283 -3.790 16.812 1.00 61.00 H new ATOM 0 HE22 GLN A 87 -5.587 -4.221 17.056 1.00 61.00 H new ATOM 1403 N LYS A 88 -8.805 -6.244 11.454 1.00 61.00 N ATOM 1404 CA LYS A 88 -8.362 -5.860 10.117 1.00 61.00 C ATOM 1405 C LYS A 88 -9.558 -5.630 9.200 1.00 61.00 C ATOM 1406 O LYS A 88 -9.508 -4.800 8.294 1.00 61.00 O ATOM 1407 CB LYS A 88 -7.435 -6.931 9.516 1.00 61.00 C ATOM 1408 CG LYS A 88 -6.048 -7.001 10.153 1.00 61.00 C ATOM 1409 CD LYS A 88 -6.101 -7.407 11.619 1.00 61.00 C ATOM 1410 CE LYS A 88 -4.713 -7.519 12.230 1.00 61.00 C ATOM 1411 NZ LYS A 88 -4.780 -7.760 13.695 1.00 61.00 N ATOM 0 H LYS A 88 -8.600 -7.212 11.701 1.00 61.00 H new ATOM 0 HA LYS A 88 -7.803 -4.929 10.205 1.00 61.00 H new ATOM 0 HB2 LYS A 88 -7.915 -7.905 9.614 1.00 61.00 H new ATOM 0 HB3 LYS A 88 -7.321 -6.737 8.449 1.00 61.00 H new ATOM 0 HG2 LYS A 88 -5.435 -7.715 9.603 1.00 61.00 H new ATOM 0 HG3 LYS A 88 -5.562 -6.029 10.066 1.00 61.00 H new ATOM 0 HD2 LYS A 88 -6.685 -6.675 12.177 1.00 61.00 H new ATOM 0 HD3 LYS A 88 -6.616 -8.363 11.712 1.00 61.00 H new ATOM 0 HE2 LYS A 88 -4.168 -8.333 11.751 1.00 61.00 H new ATOM 0 HE3 LYS A 88 -4.154 -6.603 12.036 1.00 61.00 H new ATOM 0 HZ1 LYS A 88 -3.878 -8.161 14.022 1.00 61.00 H new ATOM 0 HZ2 LYS A 88 -4.958 -6.861 14.187 1.00 61.00 H new ATOM 0 HZ3 LYS A 88 -5.551 -8.427 13.902 1.00 61.00 H new ATOM 1425 N TYR A 89 -10.639 -6.353 9.461 1.00 61.00 N ATOM 1426 CA TYR A 89 -11.852 -6.229 8.664 1.00 61.00 C ATOM 1427 C TYR A 89 -12.660 -5.012 9.099 1.00 61.00 C ATOM 1428 O TYR A 89 -13.524 -4.541 8.368 1.00 61.00 O ATOM 1429 CB TYR A 89 -12.721 -7.482 8.800 1.00 61.00 C ATOM 1430 CG TYR A 89 -12.049 -8.764 8.361 1.00 61.00 C ATOM 1431 CD1 TYR A 89 -11.407 -8.850 7.134 1.00 61.00 C ATOM 1432 CD2 TYR A 89 -12.070 -9.893 9.169 1.00 61.00 C ATOM 1433 CE1 TYR A 89 -10.805 -10.021 6.723 1.00 61.00 C ATOM 1434 CE2 TYR A 89 -11.472 -11.070 8.763 1.00 61.00 C ATOM 1435 CZ TYR A 89 -10.842 -11.126 7.539 1.00 61.00 C ATOM 1436 OH TYR A 89 -10.248 -12.295 7.127 1.00 61.00 O ATOM 0 H TYR A 89 -10.701 -7.032 10.219 1.00 61.00 H new ATOM 0 HA TYR A 89 -11.552 -6.110 7.623 1.00 61.00 H new ATOM 0 HB2 TYR A 89 -13.026 -7.585 9.841 1.00 61.00 H new ATOM 0 HB3 TYR A 89 -13.629 -7.344 8.214 1.00 61.00 H new ATOM 0 HD1 TYR A 89 -11.378 -7.984 6.489 1.00 61.00 H new ATOM 0 HD2 TYR A 89 -12.561 -9.850 10.130 1.00 61.00 H new ATOM 0 HE1 TYR A 89 -10.308 -10.069 5.766 1.00 61.00 H new ATOM 0 HE2 TYR A 89 -11.498 -11.941 9.401 1.00 61.00 H new ATOM 0 HH TYR A 89 -10.361 -12.981 7.818 1.00 61.00 H new ATOM 1446 N ARG A 90 -12.385 -4.512 10.297 1.00 61.00 N ATOM 1447 CA ARG A 90 -13.141 -3.391 10.841 1.00 61.00 C ATOM 1448 C ARG A 90 -12.520 -2.058 10.459 1.00 61.00 C ATOM 1449 O ARG A 90 -13.223 -1.063 10.307 1.00 61.00 O ATOM 1450 CB ARG A 90 -13.250 -3.491 12.364 1.00 61.00 C ATOM 1451 CG ARG A 90 -14.102 -4.653 12.846 1.00 61.00 C ATOM 1452 CD ARG A 90 -15.510 -4.588 12.271 1.00 61.00 C ATOM 1453 NE ARG A 90 -16.414 -5.533 12.924 1.00 61.00 N ATOM 1454 CZ ARG A 90 -17.463 -6.099 12.327 1.00 61.00 C ATOM 1455 NH1 ARG A 90 -17.697 -5.894 11.034 1.00 61.00 N ATOM 1456 NH2 ARG A 90 -18.270 -6.890 13.020 1.00 61.00 N ATOM 0 H ARG A 90 -11.648 -4.863 10.908 1.00 61.00 H new ATOM 0 HA ARG A 90 -14.140 -3.441 10.408 1.00 61.00 H new ATOM 0 HB2 ARG A 90 -12.249 -3.588 12.784 1.00 61.00 H new ATOM 0 HB3 ARG A 90 -13.669 -2.562 12.750 1.00 61.00 H new ATOM 0 HG2 ARG A 90 -13.633 -5.594 12.558 1.00 61.00 H new ATOM 0 HG3 ARG A 90 -14.152 -4.642 13.935 1.00 61.00 H new ATOM 0 HD2 ARG A 90 -15.901 -3.577 12.383 1.00 61.00 H new ATOM 0 HD3 ARG A 90 -15.475 -4.800 11.202 1.00 61.00 H new ATOM 0 HE ARG A 90 -16.231 -5.775 13.898 1.00 61.00 H new ATOM 0 HH11 ARG A 90 -17.071 -5.299 10.490 1.00 61.00 H new ATOM 0 HH12 ARG A 90 -18.502 -6.331 10.586 1.00 61.00 H new ATOM 0 HH21 ARG A 90 -18.088 -7.065 14.008 1.00 61.00 H new ATOM 0 HH22 ARG A 90 -19.073 -7.324 12.565 1.00 61.00 H new ATOM 1470 N GLN A 91 -11.206 -2.038 10.294 1.00 61.00 N ATOM 1471 CA GLN A 91 -10.500 -0.801 9.959 1.00 61.00 C ATOM 1472 C GLN A 91 -10.469 -0.555 8.451 1.00 61.00 C ATOM 1473 O GLN A 91 -9.670 0.245 7.959 1.00 61.00 O ATOM 1474 CB GLN A 91 -9.075 -0.836 10.512 1.00 61.00 C ATOM 1475 CG GLN A 91 -8.292 -2.078 10.118 1.00 61.00 C ATOM 1476 CD GLN A 91 -6.863 -2.060 10.622 1.00 61.00 C ATOM 1477 OE1 GLN A 91 -6.298 -3.101 10.958 1.00 61.00 O ATOM 1478 NE2 GLN A 91 -6.254 -0.883 10.657 1.00 61.00 N ATOM 0 H GLN A 91 -10.606 -2.857 10.385 1.00 61.00 H new ATOM 0 HA GLN A 91 -11.047 0.022 10.420 1.00 61.00 H new ATOM 0 HB2 GLN A 91 -8.538 0.046 10.163 1.00 61.00 H new ATOM 0 HB3 GLN A 91 -9.116 -0.774 11.599 1.00 61.00 H new ATOM 0 HG2 GLN A 91 -8.799 -2.960 10.510 1.00 61.00 H new ATOM 0 HG3 GLN A 91 -8.288 -2.169 9.032 1.00 61.00 H new ATOM 0 HE21 GLN A 91 -6.754 -0.041 10.371 1.00 61.00 H new ATOM 0 HE22 GLN A 91 -5.285 -0.819 10.970 1.00 61.00 H new ATOM 1487 N LEU A 92 -11.342 -1.223 7.714 1.00 61.00 N ATOM 1488 CA LEU A 92 -11.396 -1.043 6.266 1.00 61.00 C ATOM 1489 C LEU A 92 -12.072 0.281 5.892 1.00 61.00 C ATOM 1490 O LEU A 92 -11.909 0.756 4.770 1.00 61.00 O ATOM 1491 CB LEU A 92 -12.132 -2.219 5.598 1.00 61.00 C ATOM 1492 CG LEU A 92 -13.664 -2.108 5.512 1.00 61.00 C ATOM 1493 CD1 LEU A 92 -14.234 -3.286 4.740 1.00 61.00 C ATOM 1494 CD2 LEU A 92 -14.298 -2.036 6.892 1.00 61.00 C ATOM 0 H LEU A 92 -12.018 -1.889 8.087 1.00 61.00 H new ATOM 0 HA LEU A 92 -10.369 -1.016 5.901 1.00 61.00 H new ATOM 0 HB2 LEU A 92 -11.741 -2.337 4.587 1.00 61.00 H new ATOM 0 HB3 LEU A 92 -11.886 -3.130 6.143 1.00 61.00 H new ATOM 0 HG LEU A 92 -13.899 -1.183 4.985 1.00 61.00 H new ATOM 0 HD11 LEU A 92 -15.319 -3.195 4.686 1.00 61.00 H new ATOM 0 HD12 LEU A 92 -13.820 -3.295 3.732 1.00 61.00 H new ATOM 0 HD13 LEU A 92 -13.972 -4.214 5.247 1.00 61.00 H new ATOM 0 HD21 LEU A 92 -15.381 -1.958 6.791 1.00 61.00 H new ATOM 0 HD22 LEU A 92 -14.049 -2.936 7.454 1.00 61.00 H new ATOM 0 HD23 LEU A 92 -13.919 -1.162 7.421 1.00 61.00 H new ATOM 1506 N HIS A 93 -12.773 0.882 6.863 1.00 61.00 N ATOM 1507 CA HIS A 93 -13.688 2.015 6.637 1.00 61.00 C ATOM 1508 C HIS A 93 -14.423 1.916 5.302 1.00 61.00 C ATOM 1509 O HIS A 93 -13.993 2.451 4.280 1.00 61.00 O ATOM 1510 CB HIS A 93 -13.032 3.401 6.840 1.00 61.00 C ATOM 1511 CG HIS A 93 -11.726 3.657 6.143 1.00 61.00 C ATOM 1512 ND1 HIS A 93 -10.543 3.813 6.831 1.00 61.00 N ATOM 1513 CD2 HIS A 93 -11.429 3.882 4.839 1.00 61.00 C ATOM 1514 CE1 HIS A 93 -9.580 4.120 5.988 1.00 61.00 C ATOM 1515 NE2 HIS A 93 -10.087 4.170 4.772 1.00 61.00 N ATOM 0 H HIS A 93 -12.722 0.593 7.840 1.00 61.00 H new ATOM 0 HA HIS A 93 -14.439 1.932 7.423 1.00 61.00 H new ATOM 0 HB2 HIS A 93 -13.742 4.161 6.514 1.00 61.00 H new ATOM 0 HB3 HIS A 93 -12.877 3.547 7.909 1.00 61.00 H new ATOM 0 HD2 HIS A 93 -12.118 3.842 4.009 1.00 61.00 H new ATOM 0 HE1 HIS A 93 -8.548 4.301 6.249 1.00 61.00 H new ATOM 0 HE2 HIS A 93 -9.568 4.387 3.921 1.00 61.00 H new ATOM 1524 N HIS A 94 -15.545 1.218 5.343 1.00 61.00 N ATOM 1525 CA HIS A 94 -16.349 0.941 4.158 1.00 61.00 C ATOM 1526 C HIS A 94 -17.763 0.556 4.569 1.00 61.00 C ATOM 1527 O HIS A 94 -18.726 0.833 3.849 1.00 61.00 O ATOM 1528 CB HIS A 94 -15.719 -0.198 3.344 1.00 61.00 C ATOM 1529 CG HIS A 94 -16.602 -0.757 2.262 1.00 61.00 C ATOM 1530 ND1 HIS A 94 -17.488 -1.795 2.476 1.00 61.00 N ATOM 1531 CD2 HIS A 94 -16.721 -0.432 0.954 1.00 61.00 C ATOM 1532 CE1 HIS A 94 -18.103 -2.084 1.347 1.00 61.00 C ATOM 1533 NE2 HIS A 94 -17.658 -1.273 0.406 1.00 61.00 N ATOM 0 H HIS A 94 -15.928 0.824 6.202 1.00 61.00 H new ATOM 0 HA HIS A 94 -16.385 1.839 3.542 1.00 61.00 H new ATOM 0 HB2 HIS A 94 -14.796 0.164 2.891 1.00 61.00 H new ATOM 0 HB3 HIS A 94 -15.445 -1.005 4.024 1.00 61.00 H new ATOM 0 HD1 HIS A 94 -17.642 -2.264 3.368 1.00 61.00 H new ATOM 0 HD2 HIS A 94 -16.179 0.346 0.436 1.00 61.00 H new ATOM 0 HE1 HIS A 94 -18.847 -2.856 1.214 1.00 61.00 H new ATOM 1542 N HIS A 95 -17.867 -0.072 5.738 1.00 61.00 N ATOM 1543 CA HIS A 95 -19.116 -0.657 6.206 1.00 61.00 C ATOM 1544 C HIS A 95 -19.515 -1.787 5.256 1.00 61.00 C ATOM 1545 O HIS A 95 -20.694 -1.859 4.857 1.00 61.00 O ATOM 1546 CB HIS A 95 -20.216 0.413 6.297 1.00 61.00 C ATOM 1547 CG HIS A 95 -21.422 0.005 7.081 1.00 61.00 C ATOM 1548 ND1 HIS A 95 -22.574 -0.471 6.499 1.00 61.00 N ATOM 1549 CD2 HIS A 95 -21.656 0.020 8.413 1.00 61.00 C ATOM 1550 CE1 HIS A 95 -23.468 -0.721 7.435 1.00 61.00 C ATOM 1551 NE2 HIS A 95 -22.936 -0.432 8.608 1.00 61.00 N ATOM 1552 OXT HIS A 95 -18.624 -2.578 4.878 1.00 61.00 O ATOM 0 H HIS A 95 -17.087 -0.188 6.385 1.00 61.00 H new ATOM 0 HA HIS A 95 -18.981 -1.064 7.208 1.00 61.00 H new ATOM 0 HB2 HIS A 95 -19.794 1.311 6.747 1.00 61.00 H new ATOM 0 HB3 HIS A 95 -20.529 0.680 5.287 1.00 61.00 H new ATOM 0 HD2 HIS A 95 -20.963 0.330 9.181 1.00 61.00 H new ATOM 0 HE1 HIS A 95 -24.466 -1.098 7.270 1.00 61.00 H new ATOM 0 HE2 HIS A 95 -23.401 -0.529 9.511 1.00 61.00 H new TER 1561 HIS A 95