USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 763 hydrogens (33 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 91 SER OG : rot 23:sc= 1.57 USER MOD Set 1.2: A 93 LYS NZ :NH3+ 149:sc= 0.866 (180deg=0) USER MOD Set 2.1: A 88 GLN : amide:sc= -0.0656 X(o=1,f=0.6) USER MOD Set 2.2: A 105 ASN : amide:sc= 1.09 K(o=1,f=-0.53) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 25 ASN : amide:sc= -0.0309 K(o=-0.031,f=-0.86) USER MOD Single : A 26 GLN : amide:sc= 1.68 K(o=1.7,f=-5!) USER MOD Single : A 30 LYS NZ :NH3+ 179:sc= 0.855 (180deg=0.854) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc=-0.00397 X(o=-0.004,f=-0.047) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 MET CE :methyl -131:sc=-0.000422 (180deg=-0.174) USER MOD Single : A 48 THR OG1 : rot -75:sc= 0.848 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 156:sc= -1.46 (180deg=-2.83!) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0.478 K(o=0.48,f=-0.22) USER MOD Single : A 59 TYR OH : rot -166:sc= 1.31 USER MOD Single : A 61 MET CE :methyl -174:sc= -1.45 (180deg=-1.75) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0.756 K(o=0.76,f=-0.14) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.255 X(o=-0.26,f=-0.26) USER MOD Single : A 69 GLN : amide:sc= 1.04 K(o=1,f=0) USER MOD Single : A 71 GLN : amide:sc= 0.833 K(o=0.83,f=0) USER MOD Single : A 72 HIS : no HD1:sc= 0.582 K(o=0.58,f=-2.8!) USER MOD Single : A 73 MET CE :methyl -129:sc= 0 (180deg=-0.0849) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot 99:sc= -0.109 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl -144:sc= -1.88 (180deg=-2.53) USER MOD Single : A 104 LYS NZ :NH3+ 161:sc= 1.24 (180deg=1.15) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.185 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 23 5.219 11.561 13.280 1.00 0.00 N ATOM 2 CA GLN A 23 6.670 11.472 13.127 1.00 0.00 C ATOM 3 C GLN A 23 7.064 10.600 11.915 1.00 0.00 C ATOM 4 O GLN A 23 6.449 9.561 11.653 1.00 0.00 O ATOM 5 CB GLN A 23 7.260 10.944 14.448 1.00 0.00 C ATOM 6 CG GLN A 23 8.797 10.920 14.455 1.00 0.00 C ATOM 7 CD GLN A 23 9.406 10.501 15.797 1.00 0.00 C ATOM 8 OE1 GLN A 23 8.735 10.193 16.776 1.00 0.00 O ATOM 9 NE2 GLN A 23 10.720 10.471 15.900 1.00 0.00 N ATOM 0 HA GLN A 23 7.083 12.459 12.920 1.00 0.00 H new ATOM 0 HB2 GLN A 23 6.909 11.567 15.271 1.00 0.00 H new ATOM 0 HB3 GLN A 23 6.886 9.936 14.629 1.00 0.00 H new ATOM 0 HG2 GLN A 23 9.143 10.235 13.681 1.00 0.00 H new ATOM 0 HG3 GLN A 23 9.167 11.911 14.193 1.00 0.00 H new ATOM 0 HE21 GLN A 23 11.300 10.723 15.100 1.00 0.00 H new ATOM 0 HE22 GLN A 23 11.156 10.196 16.780 1.00 0.00 H new ATOM 18 N ILE A 24 8.113 11.006 11.187 1.00 0.00 N ATOM 19 CA ILE A 24 8.644 10.276 10.023 1.00 0.00 C ATOM 20 C ILE A 24 9.347 8.976 10.458 1.00 0.00 C ATOM 21 O ILE A 24 10.195 8.981 11.354 1.00 0.00 O ATOM 22 CB ILE A 24 9.577 11.195 9.193 1.00 0.00 C ATOM 23 CG1 ILE A 24 8.835 12.404 8.568 1.00 0.00 C ATOM 24 CG2 ILE A 24 10.346 10.438 8.094 1.00 0.00 C ATOM 25 CD1 ILE A 24 7.784 12.080 7.492 1.00 0.00 C ATOM 0 H ILE A 24 8.626 11.864 11.392 1.00 0.00 H new ATOM 0 HA ILE A 24 7.812 9.984 9.382 1.00 0.00 H new ATOM 0 HB ILE A 24 10.300 11.573 9.916 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.344 12.955 9.370 1.00 0.00 H new ATOM 0 HG13 ILE A 24 9.577 13.071 8.130 1.00 0.00 H new ATOM 0 HG21 ILE A 24 10.981 11.135 7.548 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.964 9.664 8.549 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.637 9.978 7.405 1.00 0.00 H new ATOM 0 HD11 ILE A 24 7.335 13.006 7.132 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.262 11.561 6.661 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.010 11.443 7.920 1.00 0.00 H new ATOM 37 N ASN A 25 9.027 7.875 9.772 1.00 0.00 N ATOM 38 CA ASN A 25 9.690 6.563 9.866 1.00 0.00 C ATOM 39 C ASN A 25 10.045 5.991 8.464 1.00 0.00 C ATOM 40 O ASN A 25 10.270 4.791 8.293 1.00 0.00 O ATOM 41 CB ASN A 25 8.793 5.631 10.707 1.00 0.00 C ATOM 42 CG ASN A 25 9.502 4.379 11.212 1.00 0.00 C ATOM 43 OD1 ASN A 25 10.715 4.319 11.369 1.00 0.00 O ATOM 44 ND2 ASN A 25 8.758 3.341 11.531 1.00 0.00 N ATOM 0 H ASN A 25 8.259 7.870 9.100 1.00 0.00 H new ATOM 0 HA ASN A 25 10.652 6.660 10.369 1.00 0.00 H new ATOM 0 HB2 ASN A 25 8.408 6.188 11.561 1.00 0.00 H new ATOM 0 HB3 ASN A 25 7.933 5.332 10.107 1.00 0.00 H new ATOM 0 HD21 ASN A 25 9.193 2.497 11.905 1.00 0.00 H new ATOM 0 HD22 ASN A 25 7.747 3.380 11.404 1.00 0.00 H new ATOM 51 N GLN A 26 10.051 6.860 7.446 1.00 0.00 N ATOM 52 CA GLN A 26 10.316 6.560 6.034 1.00 0.00 C ATOM 53 C GLN A 26 11.824 6.572 5.696 1.00 0.00 C ATOM 54 O GLN A 26 12.676 6.824 6.553 1.00 0.00 O ATOM 55 CB GLN A 26 9.521 7.536 5.140 1.00 0.00 C ATOM 56 CG GLN A 26 7.992 7.410 5.260 1.00 0.00 C ATOM 57 CD GLN A 26 7.368 8.417 6.222 1.00 0.00 C ATOM 58 OE1 GLN A 26 7.452 8.292 7.435 1.00 0.00 O ATOM 59 NE2 GLN A 26 6.756 9.472 5.740 1.00 0.00 N ATOM 0 H GLN A 26 9.859 7.851 7.595 1.00 0.00 H new ATOM 0 HA GLN A 26 9.978 5.543 5.836 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.810 8.556 5.392 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.806 7.371 4.101 1.00 0.00 H new ATOM 0 HG2 GLN A 26 7.547 7.539 4.273 1.00 0.00 H new ATOM 0 HG3 GLN A 26 7.744 6.402 5.592 1.00 0.00 H new ATOM 0 HE21 GLN A 26 6.674 9.597 4.731 1.00 0.00 H new ATOM 0 HE22 GLN A 26 6.362 10.167 6.374 1.00 0.00 H new ATOM 68 N VAL A 27 12.145 6.319 4.423 1.00 0.00 N ATOM 69 CA VAL A 27 13.510 6.247 3.863 1.00 0.00 C ATOM 70 C VAL A 27 13.851 7.518 3.063 1.00 0.00 C ATOM 71 O VAL A 27 13.006 8.404 2.899 1.00 0.00 O ATOM 72 CB VAL A 27 13.686 4.959 3.025 1.00 0.00 C ATOM 73 CG1 VAL A 27 13.633 3.713 3.915 1.00 0.00 C ATOM 74 CG2 VAL A 27 12.636 4.810 1.913 1.00 0.00 C ATOM 0 H VAL A 27 11.429 6.150 3.716 1.00 0.00 H new ATOM 0 HA VAL A 27 14.221 6.197 4.687 1.00 0.00 H new ATOM 0 HB VAL A 27 14.665 5.050 2.555 1.00 0.00 H new ATOM 0 HG11 VAL A 27 13.759 2.821 3.301 1.00 0.00 H new ATOM 0 HG12 VAL A 27 14.432 3.760 4.655 1.00 0.00 H new ATOM 0 HG13 VAL A 27 12.670 3.670 4.423 1.00 0.00 H new ATOM 0 HG21 VAL A 27 12.817 3.886 1.363 1.00 0.00 H new ATOM 0 HG22 VAL A 27 11.640 4.781 2.355 1.00 0.00 H new ATOM 0 HG23 VAL A 27 12.706 5.657 1.231 1.00 0.00 H new ATOM 84 N ARG A 28 15.114 7.666 2.633 1.00 0.00 N ATOM 85 CA ARG A 28 15.652 8.913 2.048 1.00 0.00 C ATOM 86 C ARG A 28 15.947 8.790 0.540 1.00 0.00 C ATOM 87 O ARG A 28 16.567 7.809 0.129 1.00 0.00 O ATOM 88 CB ARG A 28 16.914 9.324 2.839 1.00 0.00 C ATOM 89 CG ARG A 28 17.226 10.825 2.704 1.00 0.00 C ATOM 90 CD ARG A 28 18.379 11.263 3.619 1.00 0.00 C ATOM 91 NE ARG A 28 19.656 10.612 3.256 1.00 0.00 N ATOM 92 CZ ARG A 28 20.758 10.568 3.989 1.00 0.00 C ATOM 93 NH1 ARG A 28 20.849 11.165 5.144 1.00 0.00 N ATOM 94 NH2 ARG A 28 21.803 9.915 3.571 1.00 0.00 N ATOM 0 H ARG A 28 15.803 6.915 2.681 1.00 0.00 H new ATOM 0 HA ARG A 28 14.891 9.689 2.132 1.00 0.00 H new ATOM 0 HB2 ARG A 28 16.776 9.077 3.892 1.00 0.00 H new ATOM 0 HB3 ARG A 28 17.767 8.745 2.485 1.00 0.00 H new ATOM 0 HG2 ARG A 28 17.481 11.049 1.668 1.00 0.00 H new ATOM 0 HG3 ARG A 28 16.334 11.403 2.945 1.00 0.00 H new ATOM 0 HD2 ARG A 28 18.495 12.345 3.562 1.00 0.00 H new ATOM 0 HD3 ARG A 28 18.132 11.023 4.653 1.00 0.00 H new ATOM 0 HE ARG A 28 19.692 10.149 2.348 1.00 0.00 H new ATOM 0 HH11 ARG A 28 20.054 11.688 5.512 1.00 0.00 H new ATOM 0 HH12 ARG A 28 21.715 11.109 5.680 1.00 0.00 H new ATOM 0 HH21 ARG A 28 21.777 9.432 2.673 1.00 0.00 H new ATOM 0 HH22 ARG A 28 22.648 9.886 4.141 1.00 0.00 H new ATOM 108 N PRO A 29 15.565 9.774 -0.299 1.00 0.00 N ATOM 109 CA PRO A 29 16.005 9.829 -1.695 1.00 0.00 C ATOM 110 C PRO A 29 17.500 10.166 -1.809 1.00 0.00 C ATOM 111 O PRO A 29 18.084 10.722 -0.876 1.00 0.00 O ATOM 112 CB PRO A 29 15.106 10.879 -2.352 1.00 0.00 C ATOM 113 CG PRO A 29 14.771 11.834 -1.214 1.00 0.00 C ATOM 114 CD PRO A 29 14.694 10.908 -0.001 1.00 0.00 C ATOM 0 HA PRO A 29 15.911 8.865 -2.195 1.00 0.00 H new ATOM 0 HB2 PRO A 29 15.618 11.391 -3.166 1.00 0.00 H new ATOM 0 HB3 PRO A 29 14.207 10.429 -2.774 1.00 0.00 H new ATOM 0 HG2 PRO A 29 15.538 12.599 -1.090 1.00 0.00 H new ATOM 0 HG3 PRO A 29 13.828 12.353 -1.387 1.00 0.00 H new ATOM 0 HD2 PRO A 29 15.020 11.422 0.903 1.00 0.00 H new ATOM 0 HD3 PRO A 29 13.670 10.577 0.172 1.00 0.00 H new ATOM 122 N LYS A 30 18.129 9.839 -2.950 1.00 0.00 N ATOM 123 CA LYS A 30 19.545 10.156 -3.197 1.00 0.00 C ATOM 124 C LYS A 30 19.911 11.631 -3.054 1.00 0.00 C ATOM 125 O LYS A 30 19.073 12.522 -3.130 1.00 0.00 O ATOM 126 CB LYS A 30 19.982 9.560 -4.549 1.00 0.00 C ATOM 127 CG LYS A 30 20.440 8.139 -4.248 1.00 0.00 C ATOM 128 CD LYS A 30 20.965 7.405 -5.476 1.00 0.00 C ATOM 129 CE LYS A 30 21.339 6.031 -4.932 1.00 0.00 C ATOM 130 NZ LYS A 30 21.742 5.091 -6.017 1.00 0.00 N ATOM 0 H LYS A 30 17.674 9.351 -3.722 1.00 0.00 H new ATOM 0 HA LYS A 30 20.115 9.683 -2.397 1.00 0.00 H new ATOM 0 HB2 LYS A 30 19.158 9.562 -5.262 1.00 0.00 H new ATOM 0 HB3 LYS A 30 20.788 10.145 -4.992 1.00 0.00 H new ATOM 0 HG2 LYS A 30 21.222 8.169 -3.489 1.00 0.00 H new ATOM 0 HG3 LYS A 30 19.607 7.577 -3.826 1.00 0.00 H new ATOM 0 HD2 LYS A 30 20.208 7.336 -6.257 1.00 0.00 H new ATOM 0 HD3 LYS A 30 21.826 7.913 -5.911 1.00 0.00 H new ATOM 0 HE2 LYS A 30 22.157 6.134 -4.219 1.00 0.00 H new ATOM 0 HE3 LYS A 30 20.492 5.614 -4.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 22.004 4.174 -5.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 20.947 4.959 -6.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 22.556 5.484 -6.532 1.00 0.00 H new ATOM 144 N LEU A 31 21.207 11.874 -2.886 1.00 0.00 N ATOM 145 CA LEU A 31 21.766 13.172 -2.493 1.00 0.00 C ATOM 146 C LEU A 31 21.475 14.318 -3.492 1.00 0.00 C ATOM 147 O LEU A 31 21.059 15.387 -3.039 1.00 0.00 O ATOM 148 CB LEU A 31 23.261 12.988 -2.140 1.00 0.00 C ATOM 149 CG LEU A 31 23.593 11.780 -1.228 1.00 0.00 C ATOM 150 CD1 LEU A 31 25.094 11.752 -0.942 1.00 0.00 C ATOM 151 CD2 LEU A 31 22.855 11.843 0.112 1.00 0.00 C ATOM 0 H LEU A 31 21.920 11.157 -3.022 1.00 0.00 H new ATOM 0 HA LEU A 31 21.247 13.516 -1.598 1.00 0.00 H new ATOM 0 HB2 LEU A 31 23.824 12.885 -3.068 1.00 0.00 H new ATOM 0 HB3 LEU A 31 23.614 13.896 -1.652 1.00 0.00 H new ATOM 0 HG LEU A 31 23.273 10.883 -1.758 1.00 0.00 H new ATOM 0 HD11 LEU A 31 25.326 10.902 -0.300 1.00 0.00 H new ATOM 0 HD12 LEU A 31 25.641 11.659 -1.880 1.00 0.00 H new ATOM 0 HD13 LEU A 31 25.386 12.675 -0.441 1.00 0.00 H new ATOM 0 HD21 LEU A 31 23.121 10.975 0.715 1.00 0.00 H new ATOM 0 HD22 LEU A 31 23.139 12.753 0.641 1.00 0.00 H new ATOM 0 HD23 LEU A 31 21.779 11.846 -0.065 1.00 0.00 H new ATOM 163 N PRO A 32 21.560 14.118 -4.829 1.00 0.00 N ATOM 164 CA PRO A 32 21.077 15.109 -5.800 1.00 0.00 C ATOM 165 C PRO A 32 19.545 15.223 -5.821 1.00 0.00 C ATOM 166 O PRO A 32 19.008 16.297 -6.070 1.00 0.00 O ATOM 167 CB PRO A 32 21.610 14.654 -7.168 1.00 0.00 C ATOM 168 CG PRO A 32 22.790 13.754 -6.813 1.00 0.00 C ATOM 169 CD PRO A 32 22.309 13.082 -5.532 1.00 0.00 C ATOM 0 HA PRO A 32 21.434 16.103 -5.531 1.00 0.00 H new ATOM 0 HB2 PRO A 32 20.851 14.115 -7.735 1.00 0.00 H new ATOM 0 HB3 PRO A 32 21.922 15.501 -7.779 1.00 0.00 H new ATOM 0 HG2 PRO A 32 23.000 13.029 -7.599 1.00 0.00 H new ATOM 0 HG3 PRO A 32 23.705 14.325 -6.654 1.00 0.00 H new ATOM 0 HD2 PRO A 32 21.681 12.218 -5.750 1.00 0.00 H new ATOM 0 HD3 PRO A 32 23.147 12.724 -4.934 1.00 0.00 H new ATOM 177 N LEU A 33 18.831 14.128 -5.532 1.00 0.00 N ATOM 178 CA LEU A 33 17.365 14.039 -5.604 1.00 0.00 C ATOM 179 C LEU A 33 16.712 14.832 -4.460 1.00 0.00 C ATOM 180 O LEU A 33 15.826 15.640 -4.709 1.00 0.00 O ATOM 181 CB LEU A 33 16.976 12.543 -5.640 1.00 0.00 C ATOM 182 CG LEU A 33 15.621 12.185 -6.285 1.00 0.00 C ATOM 183 CD1 LEU A 33 15.401 10.678 -6.194 1.00 0.00 C ATOM 184 CD2 LEU A 33 14.403 12.880 -5.678 1.00 0.00 C ATOM 0 H LEU A 33 19.267 13.256 -5.234 1.00 0.00 H new ATOM 0 HA LEU A 33 16.986 14.502 -6.515 1.00 0.00 H new ATOM 0 HB2 LEU A 33 17.758 12.003 -6.174 1.00 0.00 H new ATOM 0 HB3 LEU A 33 16.972 12.170 -4.616 1.00 0.00 H new ATOM 0 HG LEU A 33 15.695 12.539 -7.313 1.00 0.00 H new ATOM 0 HD11 LEU A 33 14.444 10.422 -6.649 1.00 0.00 H new ATOM 0 HD12 LEU A 33 16.203 10.161 -6.720 1.00 0.00 H new ATOM 0 HD13 LEU A 33 15.398 10.373 -5.147 1.00 0.00 H new ATOM 0 HD21 LEU A 33 13.503 12.560 -6.202 1.00 0.00 H new ATOM 0 HD22 LEU A 33 14.322 12.617 -4.623 1.00 0.00 H new ATOM 0 HD23 LEU A 33 14.515 13.960 -5.775 1.00 0.00 H new ATOM 196 N LEU A 34 17.218 14.724 -3.228 1.00 0.00 N ATOM 197 CA LEU A 34 16.800 15.558 -2.084 1.00 0.00 C ATOM 198 C LEU A 34 16.900 17.069 -2.407 1.00 0.00 C ATOM 199 O LEU A 34 16.013 17.865 -2.082 1.00 0.00 O ATOM 200 CB LEU A 34 17.669 15.134 -0.878 1.00 0.00 C ATOM 201 CG LEU A 34 17.400 15.860 0.456 1.00 0.00 C ATOM 202 CD1 LEU A 34 15.918 15.868 0.837 1.00 0.00 C ATOM 203 CD2 LEU A 34 18.167 15.164 1.580 1.00 0.00 C ATOM 0 H LEU A 34 17.941 14.046 -2.988 1.00 0.00 H new ATOM 0 HA LEU A 34 15.747 15.400 -1.849 1.00 0.00 H new ATOM 0 HB2 LEU A 34 17.531 14.065 -0.718 1.00 0.00 H new ATOM 0 HB3 LEU A 34 18.716 15.284 -1.143 1.00 0.00 H new ATOM 0 HG LEU A 34 17.727 16.891 0.322 1.00 0.00 H new ATOM 0 HD11 LEU A 34 15.789 16.392 1.784 1.00 0.00 H new ATOM 0 HD12 LEU A 34 15.345 16.375 0.060 1.00 0.00 H new ATOM 0 HD13 LEU A 34 15.563 14.842 0.938 1.00 0.00 H new ATOM 0 HD21 LEU A 34 17.977 15.677 2.523 1.00 0.00 H new ATOM 0 HD22 LEU A 34 17.837 14.128 1.658 1.00 0.00 H new ATOM 0 HD23 LEU A 34 19.235 15.190 1.362 1.00 0.00 H new ATOM 215 N LYS A 35 17.935 17.451 -3.161 1.00 0.00 N ATOM 216 CA LYS A 35 18.164 18.832 -3.612 1.00 0.00 C ATOM 217 C LYS A 35 17.191 19.293 -4.706 1.00 0.00 C ATOM 218 O LYS A 35 16.969 20.493 -4.840 1.00 0.00 O ATOM 219 CB LYS A 35 19.653 19.017 -3.940 1.00 0.00 C ATOM 220 CG LYS A 35 20.438 18.954 -2.616 1.00 0.00 C ATOM 221 CD LYS A 35 21.955 18.873 -2.780 1.00 0.00 C ATOM 222 CE LYS A 35 22.538 18.640 -1.378 1.00 0.00 C ATOM 223 NZ LYS A 35 24.023 18.525 -1.405 1.00 0.00 N ATOM 0 H LYS A 35 18.651 16.800 -3.482 1.00 0.00 H new ATOM 0 HA LYS A 35 17.927 19.515 -2.796 1.00 0.00 H new ATOM 0 HB2 LYS A 35 19.993 18.239 -4.623 1.00 0.00 H new ATOM 0 HB3 LYS A 35 19.819 19.973 -4.437 1.00 0.00 H new ATOM 0 HG2 LYS A 35 20.196 19.836 -2.023 1.00 0.00 H new ATOM 0 HG3 LYS A 35 20.100 18.086 -2.049 1.00 0.00 H new ATOM 0 HD2 LYS A 35 22.229 18.060 -3.453 1.00 0.00 H new ATOM 0 HD3 LYS A 35 22.347 19.793 -3.214 1.00 0.00 H new ATOM 0 HE2 LYS A 35 22.250 19.463 -0.724 1.00 0.00 H new ATOM 0 HE3 LYS A 35 22.111 17.731 -0.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 24.377 18.368 -0.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 24.298 17.724 -2.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 24.432 19.402 -1.786 1.00 0.00 H new ATOM 237 N ILE A 36 16.527 18.372 -5.413 1.00 0.00 N ATOM 238 CA ILE A 36 15.391 18.686 -6.304 1.00 0.00 C ATOM 239 C ILE A 36 14.188 19.110 -5.452 1.00 0.00 C ATOM 240 O ILE A 36 13.533 20.098 -5.771 1.00 0.00 O ATOM 241 CB ILE A 36 15.014 17.495 -7.220 1.00 0.00 C ATOM 242 CG1 ILE A 36 16.214 17.102 -8.105 1.00 0.00 C ATOM 243 CG2 ILE A 36 13.797 17.828 -8.100 1.00 0.00 C ATOM 244 CD1 ILE A 36 15.985 15.833 -8.926 1.00 0.00 C ATOM 0 H ILE A 36 16.760 17.379 -5.387 1.00 0.00 H new ATOM 0 HA ILE A 36 15.691 19.503 -6.961 1.00 0.00 H new ATOM 0 HB ILE A 36 14.748 16.653 -6.581 1.00 0.00 H new ATOM 0 HG12 ILE A 36 16.440 17.926 -8.782 1.00 0.00 H new ATOM 0 HG13 ILE A 36 17.090 16.961 -7.472 1.00 0.00 H new ATOM 0 HG21 ILE A 36 13.559 16.971 -8.731 1.00 0.00 H new ATOM 0 HG22 ILE A 36 12.942 18.060 -7.465 1.00 0.00 H new ATOM 0 HG23 ILE A 36 14.027 18.688 -8.728 1.00 0.00 H new ATOM 0 HD11 ILE A 36 16.872 15.621 -9.523 1.00 0.00 H new ATOM 0 HD12 ILE A 36 15.790 14.996 -8.255 1.00 0.00 H new ATOM 0 HD13 ILE A 36 15.129 15.976 -9.586 1.00 0.00 H new ATOM 256 N LEU A 37 13.926 18.427 -4.328 1.00 0.00 N ATOM 257 CA LEU A 37 12.861 18.821 -3.395 1.00 0.00 C ATOM 258 C LEU A 37 13.190 20.163 -2.722 1.00 0.00 C ATOM 259 O LEU A 37 12.296 20.992 -2.553 1.00 0.00 O ATOM 260 CB LEU A 37 12.580 17.730 -2.346 1.00 0.00 C ATOM 261 CG LEU A 37 11.948 16.438 -2.897 1.00 0.00 C ATOM 262 CD1 LEU A 37 12.946 15.511 -3.588 1.00 0.00 C ATOM 263 CD2 LEU A 37 11.366 15.629 -1.745 1.00 0.00 C ATOM 0 H LEU A 37 14.441 17.594 -4.042 1.00 0.00 H new ATOM 0 HA LEU A 37 11.949 18.946 -3.979 1.00 0.00 H new ATOM 0 HB2 LEU A 37 13.517 17.475 -1.851 1.00 0.00 H new ATOM 0 HB3 LEU A 37 11.919 18.143 -1.584 1.00 0.00 H new ATOM 0 HG LEU A 37 11.202 16.765 -3.621 1.00 0.00 H new ATOM 0 HD11 LEU A 37 12.428 14.623 -3.950 1.00 0.00 H new ATOM 0 HD12 LEU A 37 13.404 16.032 -4.429 1.00 0.00 H new ATOM 0 HD13 LEU A 37 13.720 15.216 -2.879 1.00 0.00 H new ATOM 0 HD21 LEU A 37 10.918 14.714 -2.133 1.00 0.00 H new ATOM 0 HD22 LEU A 37 12.159 15.375 -1.042 1.00 0.00 H new ATOM 0 HD23 LEU A 37 10.604 16.218 -1.235 1.00 0.00 H new ATOM 275 N HIS A 38 14.470 20.428 -2.421 1.00 0.00 N ATOM 276 CA HIS A 38 14.900 21.770 -1.988 1.00 0.00 C ATOM 277 C HIS A 38 14.623 22.830 -3.072 1.00 0.00 C ATOM 278 O HIS A 38 13.964 23.836 -2.800 1.00 0.00 O ATOM 279 CB HIS A 38 16.374 21.774 -1.555 1.00 0.00 C ATOM 280 CG HIS A 38 16.738 20.840 -0.417 1.00 0.00 C ATOM 281 ND1 HIS A 38 18.045 20.460 -0.094 1.00 0.00 N ATOM 282 CD2 HIS A 38 15.883 20.271 0.487 1.00 0.00 C ATOM 283 CE1 HIS A 38 17.946 19.668 0.986 1.00 0.00 C ATOM 284 NE2 HIS A 38 16.661 19.534 1.355 1.00 0.00 N ATOM 0 H HIS A 38 15.221 19.739 -2.468 1.00 0.00 H new ATOM 0 HA HIS A 38 14.305 22.038 -1.115 1.00 0.00 H new ATOM 0 HB2 HIS A 38 16.986 21.516 -2.419 1.00 0.00 H new ATOM 0 HB3 HIS A 38 16.644 22.790 -1.265 1.00 0.00 H new ATOM 0 HD2 HIS A 38 14.809 20.378 0.515 1.00 0.00 H new ATOM 0 HE1 HIS A 38 18.782 19.204 1.488 1.00 0.00 H new ATOM 0 HE2 HIS A 38 16.320 18.982 2.142 1.00 0.00 H new ATOM 292 N ALA A 39 15.028 22.575 -4.323 1.00 0.00 N ATOM 293 CA ALA A 39 14.792 23.460 -5.471 1.00 0.00 C ATOM 294 C ALA A 39 13.301 23.657 -5.812 1.00 0.00 C ATOM 295 O ALA A 39 12.930 24.681 -6.390 1.00 0.00 O ATOM 296 CB ALA A 39 15.534 22.885 -6.681 1.00 0.00 C ATOM 0 H ALA A 39 15.540 21.728 -4.571 1.00 0.00 H new ATOM 0 HA ALA A 39 15.166 24.448 -5.204 1.00 0.00 H new ATOM 0 HB1 ALA A 39 15.372 23.528 -7.546 1.00 0.00 H new ATOM 0 HB2 ALA A 39 16.601 22.833 -6.463 1.00 0.00 H new ATOM 0 HB3 ALA A 39 15.158 21.885 -6.897 1.00 0.00 H new ATOM 302 N ALA A 40 12.439 22.709 -5.426 1.00 0.00 N ATOM 303 CA ALA A 40 10.985 22.816 -5.545 1.00 0.00 C ATOM 304 C ALA A 40 10.379 23.897 -4.619 1.00 0.00 C ATOM 305 O ALA A 40 9.224 24.287 -4.818 1.00 0.00 O ATOM 306 CB ALA A 40 10.368 21.440 -5.253 1.00 0.00 C ATOM 0 H ALA A 40 12.743 21.827 -5.013 1.00 0.00 H new ATOM 0 HA ALA A 40 10.751 23.132 -6.562 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.283 21.502 -5.338 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.747 20.712 -5.970 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.636 21.128 -4.244 1.00 0.00 H new ATOM 312 N GLY A 41 11.148 24.380 -3.628 1.00 0.00 N ATOM 313 CA GLY A 41 10.740 25.410 -2.663 1.00 0.00 C ATOM 314 C GLY A 41 10.324 24.867 -1.287 1.00 0.00 C ATOM 315 O GLY A 41 9.570 25.537 -0.577 1.00 0.00 O ATOM 0 H GLY A 41 12.101 24.052 -3.473 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.564 26.111 -2.529 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.907 25.974 -3.083 1.00 0.00 H new ATOM 319 N ALA A 42 10.777 23.662 -0.916 1.00 0.00 N ATOM 320 CA ALA A 42 10.383 22.960 0.310 1.00 0.00 C ATOM 321 C ALA A 42 11.576 22.391 1.106 1.00 0.00 C ATOM 322 O ALA A 42 12.629 22.078 0.550 1.00 0.00 O ATOM 323 CB ALA A 42 9.411 21.841 -0.082 1.00 0.00 C ATOM 0 H ALA A 42 11.446 23.135 -1.477 1.00 0.00 H new ATOM 0 HA ALA A 42 9.910 23.680 0.978 1.00 0.00 H new ATOM 0 HB1 ALA A 42 9.100 21.300 0.812 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.536 22.273 -0.568 1.00 0.00 H new ATOM 0 HB3 ALA A 42 9.905 21.154 -0.769 1.00 0.00 H new ATOM 329 N GLN A 43 11.394 22.212 2.418 1.00 0.00 N ATOM 330 CA GLN A 43 12.334 21.481 3.280 1.00 0.00 C ATOM 331 C GLN A 43 12.164 19.959 3.081 1.00 0.00 C ATOM 332 O GLN A 43 11.068 19.493 2.755 1.00 0.00 O ATOM 333 CB GLN A 43 12.093 21.908 4.741 1.00 0.00 C ATOM 334 CG GLN A 43 13.171 21.423 5.725 1.00 0.00 C ATOM 335 CD GLN A 43 12.811 21.778 7.166 1.00 0.00 C ATOM 336 OE1 GLN A 43 13.239 22.784 7.720 1.00 0.00 O ATOM 337 NE2 GLN A 43 11.998 20.974 7.823 1.00 0.00 N ATOM 0 H GLN A 43 10.582 22.573 2.919 1.00 0.00 H new ATOM 0 HA GLN A 43 13.364 21.721 3.015 1.00 0.00 H new ATOM 0 HB2 GLN A 43 12.039 22.996 4.786 1.00 0.00 H new ATOM 0 HB3 GLN A 43 11.124 21.527 5.064 1.00 0.00 H new ATOM 0 HG2 GLN A 43 13.290 20.343 5.634 1.00 0.00 H new ATOM 0 HG3 GLN A 43 14.130 21.872 5.467 1.00 0.00 H new ATOM 0 HE21 GLN A 43 11.636 20.134 7.371 1.00 0.00 H new ATOM 0 HE22 GLN A 43 11.731 21.192 8.783 1.00 0.00 H new ATOM 346 N GLY A 44 13.225 19.172 3.303 1.00 0.00 N ATOM 347 CA GLY A 44 13.177 17.709 3.177 1.00 0.00 C ATOM 348 C GLY A 44 14.042 16.950 4.178 1.00 0.00 C ATOM 349 O GLY A 44 15.248 17.176 4.263 1.00 0.00 O ATOM 0 H GLY A 44 14.140 19.531 3.575 1.00 0.00 H new ATOM 0 HA2 GLY A 44 12.143 17.383 3.291 1.00 0.00 H new ATOM 0 HA3 GLY A 44 13.488 17.435 2.169 1.00 0.00 H new ATOM 353 N GLU A 45 13.409 16.017 4.896 1.00 0.00 N ATOM 354 CA GLU A 45 14.018 15.065 5.826 1.00 0.00 C ATOM 355 C GLU A 45 13.153 13.778 5.867 1.00 0.00 C ATOM 356 O GLU A 45 12.381 13.555 6.802 1.00 0.00 O ATOM 357 CB GLU A 45 14.146 15.675 7.241 1.00 0.00 C ATOM 358 CG GLU A 45 15.171 16.808 7.376 1.00 0.00 C ATOM 359 CD GLU A 45 15.393 17.170 8.857 1.00 0.00 C ATOM 360 OE1 GLU A 45 14.640 18.014 9.405 1.00 0.00 O ATOM 361 OE2 GLU A 45 16.329 16.621 9.489 1.00 0.00 O ATOM 0 H GLU A 45 12.397 15.900 4.839 1.00 0.00 H new ATOM 0 HA GLU A 45 15.023 14.822 5.481 1.00 0.00 H new ATOM 0 HB2 GLU A 45 13.170 16.052 7.546 1.00 0.00 H new ATOM 0 HB3 GLU A 45 14.413 14.881 7.938 1.00 0.00 H new ATOM 0 HG2 GLU A 45 16.116 16.505 6.925 1.00 0.00 H new ATOM 0 HG3 GLU A 45 14.824 17.685 6.830 1.00 0.00 H new ATOM 368 N MET A 46 13.317 12.940 4.832 1.00 0.00 N ATOM 369 CA MET A 46 12.751 11.592 4.610 1.00 0.00 C ATOM 370 C MET A 46 11.222 11.496 4.395 1.00 0.00 C ATOM 371 O MET A 46 10.429 12.201 5.018 1.00 0.00 O ATOM 372 CB MET A 46 13.263 10.658 5.703 1.00 0.00 C ATOM 373 CG MET A 46 14.721 10.247 5.488 1.00 0.00 C ATOM 374 SD MET A 46 15.592 9.686 6.973 1.00 0.00 S ATOM 375 CE MET A 46 15.800 11.290 7.796 1.00 0.00 C ATOM 0 H MET A 46 13.909 13.214 4.048 1.00 0.00 H new ATOM 0 HA MET A 46 13.114 11.273 3.633 1.00 0.00 H new ATOM 0 HB2 MET A 46 13.167 11.150 6.671 1.00 0.00 H new ATOM 0 HB3 MET A 46 12.638 9.765 5.735 1.00 0.00 H new ATOM 0 HG2 MET A 46 14.751 9.449 4.746 1.00 0.00 H new ATOM 0 HG3 MET A 46 15.262 11.094 5.067 1.00 0.00 H new ATOM 0 HE1 MET A 46 16.837 11.405 8.111 1.00 0.00 H new ATOM 0 HE2 MET A 46 15.540 12.091 7.104 1.00 0.00 H new ATOM 0 HE3 MET A 46 15.148 11.339 8.668 1.00 0.00 H new ATOM 385 N PHE A 47 10.811 10.611 3.470 1.00 0.00 N ATOM 386 CA PHE A 47 9.433 10.510 2.948 1.00 0.00 C ATOM 387 C PHE A 47 9.196 9.259 2.074 1.00 0.00 C ATOM 388 O PHE A 47 10.131 8.606 1.610 1.00 0.00 O ATOM 389 CB PHE A 47 9.043 11.749 2.100 1.00 0.00 C ATOM 390 CG PHE A 47 10.073 12.835 1.881 1.00 0.00 C ATOM 391 CD1 PHE A 47 11.293 12.533 1.251 1.00 0.00 C ATOM 392 CD2 PHE A 47 9.804 14.146 2.305 1.00 0.00 C ATOM 393 CE1 PHE A 47 12.266 13.533 1.095 1.00 0.00 C ATOM 394 CE2 PHE A 47 10.758 15.157 2.109 1.00 0.00 C ATOM 395 CZ PHE A 47 11.997 14.844 1.520 1.00 0.00 C ATOM 0 H PHE A 47 11.443 9.928 3.053 1.00 0.00 H new ATOM 0 HA PHE A 47 8.812 10.443 3.841 1.00 0.00 H new ATOM 0 HB2 PHE A 47 8.726 11.392 1.120 1.00 0.00 H new ATOM 0 HB3 PHE A 47 8.173 12.209 2.568 1.00 0.00 H new ATOM 0 HD1 PHE A 47 11.481 11.534 0.888 1.00 0.00 H new ATOM 0 HD2 PHE A 47 8.863 14.377 2.782 1.00 0.00 H new ATOM 0 HE1 PHE A 47 13.220 13.294 0.649 1.00 0.00 H new ATOM 0 HE2 PHE A 47 10.542 16.172 2.409 1.00 0.00 H new ATOM 0 HZ PHE A 47 12.743 15.614 1.394 1.00 0.00 H new ATOM 405 N THR A 48 7.921 8.960 1.817 1.00 0.00 N ATOM 406 CA THR A 48 7.461 7.962 0.820 1.00 0.00 C ATOM 407 C THR A 48 7.625 8.485 -0.619 1.00 0.00 C ATOM 408 O THR A 48 7.788 9.686 -0.830 1.00 0.00 O ATOM 409 CB THR A 48 5.975 7.595 1.011 1.00 0.00 C ATOM 410 OG1 THR A 48 5.175 8.746 0.886 1.00 0.00 O ATOM 411 CG2 THR A 48 5.640 6.931 2.343 1.00 0.00 C ATOM 0 H THR A 48 7.149 9.413 2.306 1.00 0.00 H new ATOM 0 HA THR A 48 8.083 7.081 0.978 1.00 0.00 H new ATOM 0 HB THR A 48 5.768 6.862 0.231 1.00 0.00 H new ATOM 0 HG1 THR A 48 5.263 9.295 1.693 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.573 6.712 2.382 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.205 6.004 2.440 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.903 7.602 3.160 1.00 0.00 H new ATOM 419 N VAL A 49 7.494 7.624 -1.643 1.00 0.00 N ATOM 420 CA VAL A 49 7.507 8.061 -3.064 1.00 0.00 C ATOM 421 C VAL A 49 6.383 9.055 -3.366 1.00 0.00 C ATOM 422 O VAL A 49 6.593 10.049 -4.056 1.00 0.00 O ATOM 423 CB VAL A 49 7.490 6.846 -4.025 1.00 0.00 C ATOM 424 CG1 VAL A 49 6.164 6.465 -4.696 1.00 0.00 C ATOM 425 CG2 VAL A 49 8.514 7.037 -5.147 1.00 0.00 C ATOM 0 H VAL A 49 7.377 6.618 -1.520 1.00 0.00 H new ATOM 0 HA VAL A 49 8.443 8.593 -3.235 1.00 0.00 H new ATOM 0 HB VAL A 49 7.719 6.027 -3.343 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.317 5.597 -5.337 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.425 6.226 -3.931 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.807 7.301 -5.297 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.489 6.175 -5.813 1.00 0.00 H new ATOM 0 HG22 VAL A 49 8.272 7.938 -5.711 1.00 0.00 H new ATOM 0 HG23 VAL A 49 9.511 7.135 -4.717 1.00 0.00 H new ATOM 435 N LYS A 50 5.203 8.823 -2.783 1.00 0.00 N ATOM 436 CA LYS A 50 4.021 9.686 -2.870 1.00 0.00 C ATOM 437 C LYS A 50 4.254 11.079 -2.270 1.00 0.00 C ATOM 438 O LYS A 50 3.924 12.084 -2.897 1.00 0.00 O ATOM 439 CB LYS A 50 2.866 8.960 -2.174 1.00 0.00 C ATOM 440 CG LYS A 50 2.302 7.823 -3.041 1.00 0.00 C ATOM 441 CD LYS A 50 1.032 7.242 -2.408 1.00 0.00 C ATOM 442 CE LYS A 50 0.453 6.129 -3.292 1.00 0.00 C ATOM 443 NZ LYS A 50 -0.800 5.568 -2.717 1.00 0.00 N ATOM 0 H LYS A 50 5.038 7.993 -2.213 1.00 0.00 H new ATOM 0 HA LYS A 50 3.785 9.866 -3.919 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.212 8.555 -1.223 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.073 9.672 -1.947 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.079 8.197 -4.040 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.050 7.039 -3.154 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.260 6.847 -1.418 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.292 8.031 -2.274 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.252 6.522 -4.288 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.190 5.334 -3.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -1.163 4.819 -3.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.603 5.170 -1.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.511 6.322 -2.632 1.00 0.00 H new ATOM 457 N GLU A 51 4.891 11.155 -1.103 1.00 0.00 N ATOM 458 CA GLU A 51 5.307 12.432 -0.501 1.00 0.00 C ATOM 459 C GLU A 51 6.422 13.113 -1.315 1.00 0.00 C ATOM 460 O GLU A 51 6.391 14.329 -1.495 1.00 0.00 O ATOM 461 CB GLU A 51 5.779 12.196 0.935 1.00 0.00 C ATOM 462 CG GLU A 51 4.641 11.869 1.908 1.00 0.00 C ATOM 463 CD GLU A 51 5.208 11.350 3.240 1.00 0.00 C ATOM 464 OE1 GLU A 51 5.901 10.302 3.219 1.00 0.00 O ATOM 465 OE2 GLU A 51 4.963 11.974 4.301 1.00 0.00 O ATOM 0 H GLU A 51 5.136 10.337 -0.544 1.00 0.00 H new ATOM 0 HA GLU A 51 4.444 13.098 -0.502 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.499 11.377 0.942 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.303 13.084 1.287 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.038 12.759 2.084 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.982 11.120 1.469 1.00 0.00 H new ATOM 472 N VAL A 52 7.366 12.345 -1.875 1.00 0.00 N ATOM 473 CA VAL A 52 8.406 12.862 -2.785 1.00 0.00 C ATOM 474 C VAL A 52 7.788 13.474 -4.047 1.00 0.00 C ATOM 475 O VAL A 52 8.187 14.569 -4.447 1.00 0.00 O ATOM 476 CB VAL A 52 9.446 11.766 -3.116 1.00 0.00 C ATOM 477 CG1 VAL A 52 10.343 12.097 -4.315 1.00 0.00 C ATOM 478 CG2 VAL A 52 10.373 11.521 -1.919 1.00 0.00 C ATOM 0 H VAL A 52 7.433 11.341 -1.711 1.00 0.00 H new ATOM 0 HA VAL A 52 8.936 13.665 -2.273 1.00 0.00 H new ATOM 0 HB VAL A 52 8.851 10.886 -3.361 1.00 0.00 H new ATOM 0 HG11 VAL A 52 11.044 11.279 -4.482 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.727 12.233 -5.204 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.897 13.014 -4.113 1.00 0.00 H new ATOM 0 HG21 VAL A 52 11.097 10.747 -2.172 1.00 0.00 H new ATOM 0 HG22 VAL A 52 10.899 12.443 -1.672 1.00 0.00 H new ATOM 0 HG23 VAL A 52 9.782 11.199 -1.061 1.00 0.00 H new ATOM 488 N MET A 53 6.791 12.833 -4.671 1.00 0.00 N ATOM 489 CA MET A 53 6.191 13.372 -5.898 1.00 0.00 C ATOM 490 C MET A 53 5.295 14.588 -5.712 1.00 0.00 C ATOM 491 O MET A 53 5.156 15.367 -6.651 1.00 0.00 O ATOM 492 CB MET A 53 5.534 12.337 -6.779 1.00 0.00 C ATOM 493 CG MET A 53 4.199 11.805 -6.283 1.00 0.00 C ATOM 494 SD MET A 53 3.504 10.430 -7.215 1.00 0.00 S ATOM 495 CE MET A 53 4.842 9.288 -6.831 1.00 0.00 C ATOM 0 H MET A 53 6.387 11.952 -4.352 1.00 0.00 H new ATOM 0 HA MET A 53 7.069 13.734 -6.432 1.00 0.00 H new ATOM 0 HB2 MET A 53 5.388 12.769 -7.769 1.00 0.00 H new ATOM 0 HB3 MET A 53 6.219 11.497 -6.895 1.00 0.00 H new ATOM 0 HG2 MET A 53 4.317 11.492 -5.246 1.00 0.00 H new ATOM 0 HG3 MET A 53 3.479 12.623 -6.289 1.00 0.00 H new ATOM 0 HE1 MET A 53 4.482 8.263 -6.918 1.00 0.00 H new ATOM 0 HE2 MET A 53 5.665 9.444 -7.529 1.00 0.00 H new ATOM 0 HE3 MET A 53 5.191 9.465 -5.814 1.00 0.00 H new ATOM 505 N HIS A 54 4.726 14.789 -4.523 1.00 0.00 N ATOM 506 CA HIS A 54 4.050 16.058 -4.206 1.00 0.00 C ATOM 507 C HIS A 54 4.980 17.252 -4.512 1.00 0.00 C ATOM 508 O HIS A 54 4.569 18.217 -5.160 1.00 0.00 O ATOM 509 CB HIS A 54 3.608 16.060 -2.736 1.00 0.00 C ATOM 510 CG HIS A 54 2.924 17.342 -2.326 1.00 0.00 C ATOM 511 ND1 HIS A 54 1.609 17.700 -2.639 1.00 0.00 N ATOM 512 CD2 HIS A 54 3.501 18.352 -1.613 1.00 0.00 C ATOM 513 CE1 HIS A 54 1.424 18.920 -2.102 1.00 0.00 C ATOM 514 NE2 HIS A 54 2.543 19.334 -1.481 1.00 0.00 N ATOM 0 H HIS A 54 4.716 14.102 -3.769 1.00 0.00 H new ATOM 0 HA HIS A 54 3.162 16.158 -4.831 1.00 0.00 H new ATOM 0 HB2 HIS A 54 2.931 15.223 -2.565 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.479 15.900 -2.100 1.00 0.00 H new ATOM 0 HD2 HIS A 54 4.510 18.377 -1.228 1.00 0.00 H new ATOM 0 HE1 HIS A 54 0.507 19.487 -2.161 1.00 0.00 H new ATOM 0 HE2 HIS A 54 2.662 20.223 -0.995 1.00 0.00 H new ATOM 522 N TYR A 55 6.256 17.145 -4.119 1.00 0.00 N ATOM 523 CA TYR A 55 7.330 18.072 -4.492 1.00 0.00 C ATOM 524 C TYR A 55 7.838 17.927 -5.941 1.00 0.00 C ATOM 525 O TYR A 55 8.016 18.941 -6.614 1.00 0.00 O ATOM 526 CB TYR A 55 8.455 17.972 -3.455 1.00 0.00 C ATOM 527 CG TYR A 55 7.973 18.194 -2.030 1.00 0.00 C ATOM 528 CD1 TYR A 55 7.459 19.450 -1.648 1.00 0.00 C ATOM 529 CD2 TYR A 55 7.971 17.129 -1.108 1.00 0.00 C ATOM 530 CE1 TYR A 55 6.944 19.638 -0.351 1.00 0.00 C ATOM 531 CE2 TYR A 55 7.471 17.317 0.195 1.00 0.00 C ATOM 532 CZ TYR A 55 6.955 18.575 0.578 1.00 0.00 C ATOM 533 OH TYR A 55 6.452 18.769 1.830 1.00 0.00 O ATOM 0 H TYR A 55 6.578 16.389 -3.515 1.00 0.00 H new ATOM 0 HA TYR A 55 6.909 19.078 -4.481 1.00 0.00 H new ATOM 0 HB2 TYR A 55 8.920 16.989 -3.526 1.00 0.00 H new ATOM 0 HB3 TYR A 55 9.225 18.707 -3.691 1.00 0.00 H new ATOM 0 HD1 TYR A 55 7.460 20.269 -2.351 1.00 0.00 H new ATOM 0 HD2 TYR A 55 8.355 16.163 -1.402 1.00 0.00 H new ATOM 0 HE1 TYR A 55 6.539 20.598 -0.066 1.00 0.00 H new ATOM 0 HE2 TYR A 55 7.482 16.500 0.901 1.00 0.00 H new ATOM 0 HH TYR A 55 6.532 17.940 2.347 1.00 0.00 H new ATOM 543 N LEU A 56 8.064 16.709 -6.462 1.00 0.00 N ATOM 544 CA LEU A 56 8.607 16.523 -7.827 1.00 0.00 C ATOM 545 C LEU A 56 7.648 16.964 -8.943 1.00 0.00 C ATOM 546 O LEU A 56 8.107 17.534 -9.929 1.00 0.00 O ATOM 547 CB LEU A 56 9.142 15.087 -8.056 1.00 0.00 C ATOM 548 CG LEU A 56 10.672 14.999 -7.874 1.00 0.00 C ATOM 549 CD1 LEU A 56 11.137 15.441 -6.487 1.00 0.00 C ATOM 550 CD2 LEU A 56 11.165 13.569 -8.082 1.00 0.00 C ATOM 0 H LEU A 56 7.881 15.838 -5.964 1.00 0.00 H new ATOM 0 HA LEU A 56 9.458 17.201 -7.890 1.00 0.00 H new ATOM 0 HB2 LEU A 56 8.655 14.404 -7.360 1.00 0.00 H new ATOM 0 HB3 LEU A 56 8.878 14.759 -9.061 1.00 0.00 H new ATOM 0 HG LEU A 56 11.089 15.674 -8.621 1.00 0.00 H new ATOM 0 HD11 LEU A 56 12.222 15.356 -6.423 1.00 0.00 H new ATOM 0 HD12 LEU A 56 10.844 16.477 -6.318 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.678 14.806 -5.730 1.00 0.00 H new ATOM 0 HD21 LEU A 56 12.246 13.534 -7.948 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.688 12.910 -7.356 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.913 13.240 -9.090 1.00 0.00 H new ATOM 562 N GLY A 57 6.334 16.799 -8.776 1.00 0.00 N ATOM 563 CA GLY A 57 5.330 17.346 -9.694 1.00 0.00 C ATOM 564 C GLY A 57 5.361 18.877 -9.715 1.00 0.00 C ATOM 565 O GLY A 57 5.484 19.475 -10.782 1.00 0.00 O ATOM 0 H GLY A 57 5.933 16.279 -7.995 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.509 16.964 -10.699 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.339 17.006 -9.395 1.00 0.00 H new ATOM 569 N GLN A 58 5.389 19.514 -8.538 1.00 0.00 N ATOM 570 CA GLN A 58 5.600 20.962 -8.376 1.00 0.00 C ATOM 571 C GLN A 58 6.898 21.426 -9.062 1.00 0.00 C ATOM 572 O GLN A 58 6.884 22.401 -9.815 1.00 0.00 O ATOM 573 CB GLN A 58 5.549 21.295 -6.865 1.00 0.00 C ATOM 574 CG GLN A 58 6.410 22.471 -6.366 1.00 0.00 C ATOM 575 CD GLN A 58 6.074 23.848 -6.938 1.00 0.00 C ATOM 576 OE1 GLN A 58 5.060 24.078 -7.585 1.00 0.00 O ATOM 577 NE2 GLN A 58 6.926 24.824 -6.697 1.00 0.00 N ATOM 0 H GLN A 58 5.263 19.028 -7.650 1.00 0.00 H new ATOM 0 HA GLN A 58 4.807 21.518 -8.876 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.512 21.502 -6.601 1.00 0.00 H new ATOM 0 HB3 GLN A 58 5.846 20.403 -6.314 1.00 0.00 H new ATOM 0 HG2 GLN A 58 6.324 22.521 -5.281 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.453 22.252 -6.593 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.773 24.640 -6.159 1.00 0.00 H new ATOM 0 HE22 GLN A 58 6.739 25.763 -7.049 1.00 0.00 H new ATOM 586 N TYR A 59 8.006 20.705 -8.864 1.00 0.00 N ATOM 587 CA TYR A 59 9.301 21.031 -9.457 1.00 0.00 C ATOM 588 C TYR A 59 9.232 20.964 -10.992 1.00 0.00 C ATOM 589 O TYR A 59 9.547 21.932 -11.680 1.00 0.00 O ATOM 590 CB TYR A 59 10.365 20.083 -8.893 1.00 0.00 C ATOM 591 CG TYR A 59 11.711 20.228 -9.561 1.00 0.00 C ATOM 592 CD1 TYR A 59 12.640 21.187 -9.118 1.00 0.00 C ATOM 593 CD2 TYR A 59 12.010 19.411 -10.664 1.00 0.00 C ATOM 594 CE1 TYR A 59 13.872 21.322 -9.788 1.00 0.00 C ATOM 595 CE2 TYR A 59 13.225 19.550 -11.349 1.00 0.00 C ATOM 596 CZ TYR A 59 14.171 20.504 -10.903 1.00 0.00 C ATOM 597 OH TYR A 59 15.373 20.648 -11.516 1.00 0.00 O ATOM 0 H TYR A 59 8.026 19.869 -8.280 1.00 0.00 H new ATOM 0 HA TYR A 59 9.575 22.054 -9.198 1.00 0.00 H new ATOM 0 HB2 TYR A 59 10.476 20.268 -7.825 1.00 0.00 H new ATOM 0 HB3 TYR A 59 10.021 19.055 -9.005 1.00 0.00 H new ATOM 0 HD1 TYR A 59 12.410 21.815 -8.270 1.00 0.00 H new ATOM 0 HD2 TYR A 59 11.296 18.668 -10.988 1.00 0.00 H new ATOM 0 HE1 TYR A 59 14.591 22.053 -9.449 1.00 0.00 H new ATOM 0 HE2 TYR A 59 13.438 18.934 -12.210 1.00 0.00 H new ATOM 0 HH TYR A 59 15.355 20.192 -12.383 1.00 0.00 H new ATOM 607 N ILE A 60 8.729 19.856 -11.539 1.00 0.00 N ATOM 608 CA ILE A 60 8.597 19.648 -12.987 1.00 0.00 C ATOM 609 C ILE A 60 7.659 20.695 -13.612 1.00 0.00 C ATOM 610 O ILE A 60 7.967 21.209 -14.687 1.00 0.00 O ATOM 611 CB ILE A 60 8.180 18.179 -13.237 1.00 0.00 C ATOM 612 CG1 ILE A 60 9.396 17.258 -12.953 1.00 0.00 C ATOM 613 CG2 ILE A 60 7.654 17.953 -14.668 1.00 0.00 C ATOM 614 CD1 ILE A 60 9.044 15.768 -12.862 1.00 0.00 C ATOM 0 H ILE A 60 8.397 19.067 -10.985 1.00 0.00 H new ATOM 0 HA ILE A 60 9.551 19.802 -13.492 1.00 0.00 H new ATOM 0 HB ILE A 60 7.358 17.938 -12.563 1.00 0.00 H new ATOM 0 HG12 ILE A 60 10.136 17.398 -13.741 1.00 0.00 H new ATOM 0 HG13 ILE A 60 9.863 17.568 -12.018 1.00 0.00 H new ATOM 0 HG21 ILE A 60 7.375 16.907 -14.792 1.00 0.00 H new ATOM 0 HG22 ILE A 60 6.782 18.584 -14.839 1.00 0.00 H new ATOM 0 HG23 ILE A 60 8.433 18.208 -15.387 1.00 0.00 H new ATOM 0 HD11 ILE A 60 9.948 15.192 -12.662 1.00 0.00 H new ATOM 0 HD12 ILE A 60 8.328 15.612 -12.055 1.00 0.00 H new ATOM 0 HD13 ILE A 60 8.606 15.439 -13.804 1.00 0.00 H new ATOM 626 N MET A 61 6.582 21.095 -12.928 1.00 0.00 N ATOM 627 CA MET A 61 5.694 22.178 -13.376 1.00 0.00 C ATOM 628 C MET A 61 6.360 23.563 -13.361 1.00 0.00 C ATOM 629 O MET A 61 6.166 24.323 -14.309 1.00 0.00 O ATOM 630 CB MET A 61 4.403 22.210 -12.539 1.00 0.00 C ATOM 631 CG MET A 61 3.430 21.041 -12.738 1.00 0.00 C ATOM 632 SD MET A 61 2.703 20.898 -14.392 1.00 0.00 S ATOM 633 CE MET A 61 3.867 19.701 -15.086 1.00 0.00 C ATOM 0 H MET A 61 6.298 20.675 -12.043 1.00 0.00 H new ATOM 0 HA MET A 61 5.454 21.953 -14.415 1.00 0.00 H new ATOM 0 HB2 MET A 61 4.680 22.248 -11.485 1.00 0.00 H new ATOM 0 HB3 MET A 61 3.874 23.136 -12.763 1.00 0.00 H new ATOM 0 HG2 MET A 61 3.954 20.113 -12.510 1.00 0.00 H new ATOM 0 HG3 MET A 61 2.622 21.137 -12.013 1.00 0.00 H new ATOM 0 HE1 MET A 61 3.653 19.558 -16.145 1.00 0.00 H new ATOM 0 HE2 MET A 61 4.885 20.073 -14.968 1.00 0.00 H new ATOM 0 HE3 MET A 61 3.765 18.750 -14.564 1.00 0.00 H new ATOM 643 N VAL A 62 7.135 23.920 -12.327 1.00 0.00 N ATOM 644 CA VAL A 62 7.766 25.249 -12.200 1.00 0.00 C ATOM 645 C VAL A 62 9.022 25.411 -13.063 1.00 0.00 C ATOM 646 O VAL A 62 9.328 26.513 -13.521 1.00 0.00 O ATOM 647 CB VAL A 62 7.972 25.616 -10.718 1.00 0.00 C ATOM 648 CG1 VAL A 62 9.111 24.880 -10.013 1.00 0.00 C ATOM 649 CG2 VAL A 62 8.230 27.110 -10.567 1.00 0.00 C ATOM 0 H VAL A 62 7.345 23.294 -11.549 1.00 0.00 H new ATOM 0 HA VAL A 62 7.073 25.982 -12.612 1.00 0.00 H new ATOM 0 HB VAL A 62 7.043 25.306 -10.240 1.00 0.00 H new ATOM 0 HG11 VAL A 62 9.171 25.210 -8.976 1.00 0.00 H new ATOM 0 HG12 VAL A 62 8.923 23.807 -10.042 1.00 0.00 H new ATOM 0 HG13 VAL A 62 10.052 25.097 -10.518 1.00 0.00 H new ATOM 0 HG21 VAL A 62 8.373 27.350 -9.513 1.00 0.00 H new ATOM 0 HG22 VAL A 62 9.125 27.383 -11.126 1.00 0.00 H new ATOM 0 HG23 VAL A 62 7.377 27.667 -10.953 1.00 0.00 H new ATOM 659 N LYS A 63 9.724 24.301 -13.323 1.00 0.00 N ATOM 660 CA LYS A 63 10.891 24.231 -14.226 1.00 0.00 C ATOM 661 C LYS A 63 10.524 23.862 -15.672 1.00 0.00 C ATOM 662 O LYS A 63 11.335 24.077 -16.573 1.00 0.00 O ATOM 663 CB LYS A 63 11.946 23.253 -13.663 1.00 0.00 C ATOM 664 CG LYS A 63 12.440 23.519 -12.228 1.00 0.00 C ATOM 665 CD LYS A 63 12.675 24.998 -11.894 1.00 0.00 C ATOM 666 CE LYS A 63 13.341 25.118 -10.515 1.00 0.00 C ATOM 667 NZ LYS A 63 13.641 26.535 -10.163 1.00 0.00 N ATOM 0 H LYS A 63 9.494 23.401 -12.903 1.00 0.00 H new ATOM 0 HA LYS A 63 11.312 25.236 -14.268 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.530 22.246 -13.698 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.810 23.264 -14.328 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.711 23.114 -11.526 1.00 0.00 H new ATOM 0 HG3 LYS A 63 13.370 22.973 -12.072 1.00 0.00 H new ATOM 0 HD2 LYS A 63 13.307 25.457 -12.655 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.728 25.537 -11.899 1.00 0.00 H new ATOM 0 HE2 LYS A 63 12.687 24.687 -9.757 1.00 0.00 H new ATOM 0 HE3 LYS A 63 14.264 24.539 -10.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 14.090 26.572 -9.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 14.286 26.940 -10.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 12.757 27.083 -10.146 1.00 0.00 H new ATOM 681 N GLN A 64 9.313 23.339 -15.899 1.00 0.00 N ATOM 682 CA GLN A 64 8.822 22.817 -17.175 1.00 0.00 C ATOM 683 C GLN A 64 9.761 21.760 -17.798 1.00 0.00 C ATOM 684 O GLN A 64 10.372 21.977 -18.847 1.00 0.00 O ATOM 685 CB GLN A 64 8.412 23.917 -18.179 1.00 0.00 C ATOM 686 CG GLN A 64 7.342 24.903 -17.683 1.00 0.00 C ATOM 687 CD GLN A 64 7.919 26.095 -16.918 1.00 0.00 C ATOM 688 OE1 GLN A 64 8.836 26.780 -17.354 1.00 0.00 O ATOM 689 NE2 GLN A 64 7.394 26.408 -15.757 1.00 0.00 N ATOM 0 H GLN A 64 8.615 23.266 -15.158 1.00 0.00 H new ATOM 0 HA GLN A 64 7.899 22.293 -16.928 1.00 0.00 H new ATOM 0 HB2 GLN A 64 9.302 24.483 -18.454 1.00 0.00 H new ATOM 0 HB3 GLN A 64 8.046 23.437 -19.087 1.00 0.00 H new ATOM 0 HG2 GLN A 64 6.774 25.270 -18.538 1.00 0.00 H new ATOM 0 HG3 GLN A 64 6.641 24.372 -17.038 1.00 0.00 H new ATOM 0 HE21 GLN A 64 6.630 25.850 -15.376 1.00 0.00 H new ATOM 0 HE22 GLN A 64 7.750 27.209 -15.235 1.00 0.00 H new ATOM 698 N LEU A 65 9.873 20.595 -17.145 1.00 0.00 N ATOM 699 CA LEU A 65 10.715 19.467 -17.592 1.00 0.00 C ATOM 700 C LEU A 65 9.948 18.488 -18.512 1.00 0.00 C ATOM 701 O LEU A 65 10.462 17.445 -18.917 1.00 0.00 O ATOM 702 CB LEU A 65 11.339 18.814 -16.350 1.00 0.00 C ATOM 703 CG LEU A 65 12.637 18.021 -16.594 1.00 0.00 C ATOM 704 CD1 LEU A 65 13.746 18.843 -17.258 1.00 0.00 C ATOM 705 CD2 LEU A 65 13.145 17.587 -15.226 1.00 0.00 C ATOM 0 H LEU A 65 9.374 20.403 -16.276 1.00 0.00 H new ATOM 0 HA LEU A 65 11.525 19.828 -18.226 1.00 0.00 H new ATOM 0 HB2 LEU A 65 11.544 19.594 -15.616 1.00 0.00 H new ATOM 0 HB3 LEU A 65 10.603 18.144 -15.906 1.00 0.00 H new ATOM 0 HG LEU A 65 12.405 17.195 -17.266 1.00 0.00 H new ATOM 0 HD11 LEU A 65 14.628 18.218 -17.398 1.00 0.00 H new ATOM 0 HD12 LEU A 65 13.401 19.205 -18.226 1.00 0.00 H new ATOM 0 HD13 LEU A 65 14.000 19.692 -16.623 1.00 0.00 H new ATOM 0 HD21 LEU A 65 14.068 17.019 -15.344 1.00 0.00 H new ATOM 0 HD22 LEU A 65 13.337 18.468 -14.613 1.00 0.00 H new ATOM 0 HD23 LEU A 65 12.394 16.964 -14.740 1.00 0.00 H new ATOM 717 N TYR A 66 8.700 18.843 -18.821 1.00 0.00 N ATOM 718 CA TYR A 66 7.753 18.149 -19.688 1.00 0.00 C ATOM 719 C TYR A 66 7.543 18.926 -20.995 1.00 0.00 C ATOM 720 O TYR A 66 7.809 20.131 -21.060 1.00 0.00 O ATOM 721 CB TYR A 66 6.419 17.974 -18.932 1.00 0.00 C ATOM 722 CG TYR A 66 5.700 19.291 -18.671 1.00 0.00 C ATOM 723 CD1 TYR A 66 6.069 20.108 -17.583 1.00 0.00 C ATOM 724 CD2 TYR A 66 4.704 19.732 -19.564 1.00 0.00 C ATOM 725 CE1 TYR A 66 5.457 21.365 -17.405 1.00 0.00 C ATOM 726 CE2 TYR A 66 4.079 20.982 -19.378 1.00 0.00 C ATOM 727 CZ TYR A 66 4.462 21.807 -18.299 1.00 0.00 C ATOM 728 OH TYR A 66 3.882 23.025 -18.112 1.00 0.00 O ATOM 0 H TYR A 66 8.294 19.696 -18.437 1.00 0.00 H new ATOM 0 HA TYR A 66 8.151 17.169 -19.950 1.00 0.00 H new ATOM 0 HB2 TYR A 66 5.766 17.319 -19.508 1.00 0.00 H new ATOM 0 HB3 TYR A 66 6.610 17.477 -17.981 1.00 0.00 H new ATOM 0 HD1 TYR A 66 6.821 19.770 -16.885 1.00 0.00 H new ATOM 0 HD2 TYR A 66 4.417 19.108 -20.397 1.00 0.00 H new ATOM 0 HE1 TYR A 66 5.753 21.993 -16.578 1.00 0.00 H new ATOM 0 HE2 TYR A 66 3.308 21.308 -20.060 1.00 0.00 H new ATOM 0 HH TYR A 66 3.217 23.182 -18.814 1.00 0.00 H new ATOM 738 N ASP A 67 7.038 18.252 -22.032 1.00 0.00 N ATOM 739 CA ASP A 67 6.573 18.933 -23.247 1.00 0.00 C ATOM 740 C ASP A 67 5.060 19.181 -23.142 1.00 0.00 C ATOM 741 O ASP A 67 4.313 18.254 -22.828 1.00 0.00 O ATOM 742 CB ASP A 67 6.942 18.143 -24.510 1.00 0.00 C ATOM 743 CG ASP A 67 6.709 18.977 -25.783 1.00 0.00 C ATOM 744 OD1 ASP A 67 5.554 19.389 -26.044 1.00 0.00 O ATOM 745 OD2 ASP A 67 7.685 19.236 -26.526 1.00 0.00 O ATOM 0 H ASP A 67 6.940 17.237 -22.056 1.00 0.00 H new ATOM 0 HA ASP A 67 7.077 19.896 -23.333 1.00 0.00 H new ATOM 0 HB2 ASP A 67 7.988 17.840 -24.458 1.00 0.00 H new ATOM 0 HB3 ASP A 67 6.347 17.231 -24.557 1.00 0.00 H new ATOM 750 N GLN A 68 4.580 20.405 -23.404 1.00 0.00 N ATOM 751 CA GLN A 68 3.156 20.747 -23.241 1.00 0.00 C ATOM 752 C GLN A 68 2.230 19.843 -24.068 1.00 0.00 C ATOM 753 O GLN A 68 1.115 19.547 -23.634 1.00 0.00 O ATOM 754 CB GLN A 68 2.929 22.245 -23.554 1.00 0.00 C ATOM 755 CG GLN A 68 2.491 22.582 -24.999 1.00 0.00 C ATOM 756 CD GLN A 68 0.973 22.584 -25.200 1.00 0.00 C ATOM 757 OE1 GLN A 68 0.216 23.265 -24.519 1.00 0.00 O ATOM 758 NE2 GLN A 68 0.471 21.822 -26.151 1.00 0.00 N ATOM 0 H GLN A 68 5.158 21.179 -23.731 1.00 0.00 H new ATOM 0 HA GLN A 68 2.891 20.566 -22.199 1.00 0.00 H new ATOM 0 HB2 GLN A 68 2.173 22.627 -22.869 1.00 0.00 H new ATOM 0 HB3 GLN A 68 3.853 22.783 -23.342 1.00 0.00 H new ATOM 0 HG2 GLN A 68 2.885 23.562 -25.269 1.00 0.00 H new ATOM 0 HG3 GLN A 68 2.938 21.859 -25.682 1.00 0.00 H new ATOM 0 HE21 GLN A 68 1.090 21.250 -26.726 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -0.536 21.805 -26.312 1.00 0.00 H new ATOM 767 N GLN A 69 2.687 19.408 -25.252 1.00 0.00 N ATOM 768 CA GLN A 69 1.877 18.674 -26.215 1.00 0.00 C ATOM 769 C GLN A 69 1.889 17.151 -25.953 1.00 0.00 C ATOM 770 O GLN A 69 1.061 16.406 -26.477 1.00 0.00 O ATOM 771 CB GLN A 69 2.315 19.084 -27.629 1.00 0.00 C ATOM 772 CG GLN A 69 3.411 18.211 -28.247 1.00 0.00 C ATOM 773 CD GLN A 69 4.231 18.986 -29.273 1.00 0.00 C ATOM 774 OE1 GLN A 69 3.998 18.938 -30.476 1.00 0.00 O ATOM 775 NE2 GLN A 69 5.202 19.752 -28.826 1.00 0.00 N ATOM 0 H GLN A 69 3.645 19.563 -25.565 1.00 0.00 H new ATOM 0 HA GLN A 69 0.826 18.940 -26.104 1.00 0.00 H new ATOM 0 HB2 GLN A 69 1.443 19.063 -28.283 1.00 0.00 H new ATOM 0 HB3 GLN A 69 2.667 20.115 -27.599 1.00 0.00 H new ATOM 0 HG2 GLN A 69 4.068 17.839 -27.461 1.00 0.00 H new ATOM 0 HG3 GLN A 69 2.959 17.341 -28.723 1.00 0.00 H new ATOM 0 HE21 GLN A 69 5.399 19.795 -27.826 1.00 0.00 H new ATOM 0 HE22 GLN A 69 5.758 20.304 -29.479 1.00 0.00 H new ATOM 784 N GLU A 70 2.846 16.707 -25.130 1.00 0.00 N ATOM 785 CA GLU A 70 3.145 15.316 -24.761 1.00 0.00 C ATOM 786 C GLU A 70 3.544 15.225 -23.272 1.00 0.00 C ATOM 787 O GLU A 70 4.620 14.736 -22.917 1.00 0.00 O ATOM 788 CB GLU A 70 4.224 14.719 -25.691 1.00 0.00 C ATOM 789 CG GLU A 70 3.718 14.473 -27.118 1.00 0.00 C ATOM 790 CD GLU A 70 4.621 13.476 -27.867 1.00 0.00 C ATOM 791 OE1 GLU A 70 4.416 12.245 -27.715 1.00 0.00 O ATOM 792 OE2 GLU A 70 5.524 13.909 -28.625 1.00 0.00 O ATOM 0 H GLU A 70 3.480 17.359 -24.669 1.00 0.00 H new ATOM 0 HA GLU A 70 2.244 14.717 -24.894 1.00 0.00 H new ATOM 0 HB2 GLU A 70 5.079 15.394 -25.726 1.00 0.00 H new ATOM 0 HB3 GLU A 70 4.578 13.778 -25.270 1.00 0.00 H new ATOM 0 HG2 GLU A 70 2.699 14.089 -27.084 1.00 0.00 H new ATOM 0 HG3 GLU A 70 3.685 15.417 -27.662 1.00 0.00 H new ATOM 799 N GLN A 71 2.656 15.684 -22.377 1.00 0.00 N ATOM 800 CA GLN A 71 2.872 15.643 -20.916 1.00 0.00 C ATOM 801 C GLN A 71 3.058 14.208 -20.381 1.00 0.00 C ATOM 802 O GLN A 71 3.609 14.013 -19.296 1.00 0.00 O ATOM 803 CB GLN A 71 1.700 16.324 -20.193 1.00 0.00 C ATOM 804 CG GLN A 71 1.688 17.845 -20.396 1.00 0.00 C ATOM 805 CD GLN A 71 0.323 18.474 -20.124 1.00 0.00 C ATOM 806 OE1 GLN A 71 -0.261 18.342 -19.056 1.00 0.00 O ATOM 807 NE2 GLN A 71 -0.239 19.190 -21.078 1.00 0.00 N ATOM 0 H GLN A 71 1.762 16.097 -22.644 1.00 0.00 H new ATOM 0 HA GLN A 71 3.798 16.182 -20.715 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.761 15.905 -20.555 1.00 0.00 H new ATOM 0 HB3 GLN A 71 1.757 16.103 -19.127 1.00 0.00 H new ATOM 0 HG2 GLN A 71 2.429 18.299 -19.738 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.989 18.072 -21.419 1.00 0.00 H new ATOM 0 HE21 GLN A 71 0.235 19.309 -21.973 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -1.148 19.625 -20.921 1.00 0.00 H new ATOM 816 N HIS A 72 2.657 13.199 -21.169 1.00 0.00 N ATOM 817 CA HIS A 72 2.942 11.780 -20.938 1.00 0.00 C ATOM 818 C HIS A 72 4.439 11.417 -20.986 1.00 0.00 C ATOM 819 O HIS A 72 4.781 10.280 -20.668 1.00 0.00 O ATOM 820 CB HIS A 72 2.092 10.912 -21.883 1.00 0.00 C ATOM 821 CG HIS A 72 2.166 11.288 -23.345 1.00 0.00 C ATOM 822 ND1 HIS A 72 1.133 11.887 -24.072 1.00 0.00 N ATOM 823 CD2 HIS A 72 3.231 11.095 -24.176 1.00 0.00 C ATOM 824 CE1 HIS A 72 1.591 12.018 -25.329 1.00 0.00 C ATOM 825 NE2 HIS A 72 2.850 11.557 -25.417 1.00 0.00 N ATOM 0 H HIS A 72 2.107 13.357 -22.013 1.00 0.00 H new ATOM 0 HA HIS A 72 2.654 11.564 -19.909 1.00 0.00 H new ATOM 0 HB2 HIS A 72 2.405 9.873 -21.775 1.00 0.00 H new ATOM 0 HB3 HIS A 72 1.052 10.967 -21.563 1.00 0.00 H new ATOM 0 HD2 HIS A 72 4.186 10.664 -23.913 1.00 0.00 H new ATOM 0 HE1 HIS A 72 1.027 12.434 -26.151 1.00 0.00 H new ATOM 0 HE2 HIS A 72 3.426 11.550 -26.259 1.00 0.00 H new ATOM 833 N MET A 73 5.340 12.343 -21.329 1.00 0.00 N ATOM 834 CA MET A 73 6.794 12.188 -21.191 1.00 0.00 C ATOM 835 C MET A 73 7.451 13.360 -20.443 1.00 0.00 C ATOM 836 O MET A 73 7.000 14.507 -20.501 1.00 0.00 O ATOM 837 CB MET A 73 7.479 11.979 -22.549 1.00 0.00 C ATOM 838 CG MET A 73 7.371 10.530 -23.038 1.00 0.00 C ATOM 839 SD MET A 73 8.527 10.084 -24.366 1.00 0.00 S ATOM 840 CE MET A 73 10.089 10.002 -23.436 1.00 0.00 C ATOM 0 H MET A 73 5.072 13.246 -21.721 1.00 0.00 H new ATOM 0 HA MET A 73 6.937 11.291 -20.588 1.00 0.00 H new ATOM 0 HB2 MET A 73 7.029 12.644 -23.287 1.00 0.00 H new ATOM 0 HB3 MET A 73 8.530 12.256 -22.470 1.00 0.00 H new ATOM 0 HG2 MET A 73 7.537 9.863 -22.192 1.00 0.00 H new ATOM 0 HG3 MET A 73 6.354 10.354 -23.387 1.00 0.00 H new ATOM 0 HE1 MET A 73 10.845 10.604 -23.941 1.00 0.00 H new ATOM 0 HE2 MET A 73 9.933 10.386 -22.428 1.00 0.00 H new ATOM 0 HE3 MET A 73 10.426 8.967 -23.382 1.00 0.00 H new ATOM 850 N VAL A 74 8.558 13.046 -19.764 1.00 0.00 N ATOM 851 CA VAL A 74 9.430 13.983 -19.037 1.00 0.00 C ATOM 852 C VAL A 74 10.869 13.774 -19.522 1.00 0.00 C ATOM 853 O VAL A 74 11.288 12.635 -19.746 1.00 0.00 O ATOM 854 CB VAL A 74 9.333 13.795 -17.507 1.00 0.00 C ATOM 855 CG1 VAL A 74 9.855 15.034 -16.771 1.00 0.00 C ATOM 856 CG2 VAL A 74 7.902 13.555 -17.013 1.00 0.00 C ATOM 0 H VAL A 74 8.890 12.084 -19.701 1.00 0.00 H new ATOM 0 HA VAL A 74 9.107 15.003 -19.243 1.00 0.00 H new ATOM 0 HB VAL A 74 9.937 12.914 -17.293 1.00 0.00 H new ATOM 0 HG11 VAL A 74 9.777 14.878 -15.695 1.00 0.00 H new ATOM 0 HG12 VAL A 74 10.898 15.203 -17.038 1.00 0.00 H new ATOM 0 HG13 VAL A 74 9.262 15.903 -17.056 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.907 13.431 -15.930 1.00 0.00 H new ATOM 0 HG22 VAL A 74 7.278 14.408 -17.278 1.00 0.00 H new ATOM 0 HG23 VAL A 74 7.502 12.654 -17.479 1.00 0.00 H new ATOM 866 N TYR A 75 11.630 14.858 -19.684 1.00 0.00 N ATOM 867 CA TYR A 75 12.934 14.855 -20.359 1.00 0.00 C ATOM 868 C TYR A 75 14.074 15.338 -19.446 1.00 0.00 C ATOM 869 O TYR A 75 14.642 16.415 -19.642 1.00 0.00 O ATOM 870 CB TYR A 75 12.803 15.664 -21.661 1.00 0.00 C ATOM 871 CG TYR A 75 11.722 15.151 -22.599 1.00 0.00 C ATOM 872 CD1 TYR A 75 12.001 14.083 -23.475 1.00 0.00 C ATOM 873 CD2 TYR A 75 10.436 15.730 -22.583 1.00 0.00 C ATOM 874 CE1 TYR A 75 11.007 13.613 -24.357 1.00 0.00 C ATOM 875 CE2 TYR A 75 9.436 15.252 -23.452 1.00 0.00 C ATOM 876 CZ TYR A 75 9.723 14.204 -24.353 1.00 0.00 C ATOM 877 OH TYR A 75 8.761 13.777 -25.218 1.00 0.00 O ATOM 0 H TYR A 75 11.355 15.780 -19.345 1.00 0.00 H new ATOM 0 HA TYR A 75 13.216 13.833 -20.610 1.00 0.00 H new ATOM 0 HB2 TYR A 75 12.590 16.704 -21.411 1.00 0.00 H new ATOM 0 HB3 TYR A 75 13.760 15.651 -22.183 1.00 0.00 H new ATOM 0 HD1 TYR A 75 12.978 13.624 -23.471 1.00 0.00 H new ATOM 0 HD2 TYR A 75 10.218 16.541 -21.904 1.00 0.00 H new ATOM 0 HE1 TYR A 75 11.226 12.802 -25.035 1.00 0.00 H new ATOM 0 HE2 TYR A 75 8.448 15.688 -23.429 1.00 0.00 H new ATOM 0 HH TYR A 75 7.940 14.293 -25.075 1.00 0.00 H new ATOM 887 N CYS A 76 14.410 14.549 -18.418 1.00 0.00 N ATOM 888 CA CYS A 76 15.328 14.966 -17.347 1.00 0.00 C ATOM 889 C CYS A 76 16.826 14.768 -17.663 1.00 0.00 C ATOM 890 O CYS A 76 17.651 14.856 -16.757 1.00 0.00 O ATOM 891 CB CYS A 76 14.940 14.332 -15.997 1.00 0.00 C ATOM 892 SG CYS A 76 13.152 14.076 -15.793 1.00 0.00 S ATOM 0 H CYS A 76 14.053 13.600 -18.304 1.00 0.00 H new ATOM 0 HA CYS A 76 15.204 16.046 -17.272 1.00 0.00 H new ATOM 0 HB2 CYS A 76 15.449 13.373 -15.897 1.00 0.00 H new ATOM 0 HB3 CYS A 76 15.301 14.970 -15.190 1.00 0.00 H new ATOM 0 HG CYS A 76 12.856 12.840 -16.069 1.00 0.00 H new ATOM 898 N GLY A 77 17.219 14.512 -18.916 1.00 0.00 N ATOM 899 CA GLY A 77 18.631 14.338 -19.306 1.00 0.00 C ATOM 900 C GLY A 77 19.536 15.548 -19.002 1.00 0.00 C ATOM 901 O GLY A 77 20.721 15.371 -18.716 1.00 0.00 O ATOM 0 H GLY A 77 16.567 14.418 -19.695 1.00 0.00 H new ATOM 0 HA2 GLY A 77 19.031 13.464 -18.792 1.00 0.00 H new ATOM 0 HA3 GLY A 77 18.676 14.127 -20.375 1.00 0.00 H new ATOM 905 N GLY A 78 18.972 16.763 -18.995 1.00 0.00 N ATOM 906 CA GLY A 78 19.640 18.012 -18.582 1.00 0.00 C ATOM 907 C GLY A 78 19.425 18.411 -17.109 1.00 0.00 C ATOM 908 O GLY A 78 19.817 19.509 -16.709 1.00 0.00 O ATOM 0 H GLY A 78 18.006 16.912 -19.286 1.00 0.00 H new ATOM 0 HA2 GLY A 78 20.710 17.910 -18.762 1.00 0.00 H new ATOM 0 HA3 GLY A 78 19.285 18.823 -19.218 1.00 0.00 H new ATOM 912 N ASP A 79 18.775 17.561 -16.309 1.00 0.00 N ATOM 913 CA ASP A 79 18.390 17.814 -14.912 1.00 0.00 C ATOM 914 C ASP A 79 19.389 17.207 -13.904 1.00 0.00 C ATOM 915 O ASP A 79 20.301 16.469 -14.279 1.00 0.00 O ATOM 916 CB ASP A 79 16.988 17.222 -14.714 1.00 0.00 C ATOM 917 CG ASP A 79 16.344 17.634 -13.390 1.00 0.00 C ATOM 918 OD1 ASP A 79 15.966 18.820 -13.258 1.00 0.00 O ATOM 919 OD2 ASP A 79 16.294 16.780 -12.477 1.00 0.00 O ATOM 0 H ASP A 79 18.489 16.636 -16.629 1.00 0.00 H new ATOM 0 HA ASP A 79 18.395 18.887 -14.723 1.00 0.00 H new ATOM 0 HB2 ASP A 79 16.347 17.539 -15.537 1.00 0.00 H new ATOM 0 HB3 ASP A 79 17.050 16.135 -14.758 1.00 0.00 H new ATOM 924 N LEU A 80 19.190 17.451 -12.604 1.00 0.00 N ATOM 925 CA LEU A 80 19.913 16.767 -11.528 1.00 0.00 C ATOM 926 C LEU A 80 19.686 15.238 -11.577 1.00 0.00 C ATOM 927 O LEU A 80 20.623 14.468 -11.357 1.00 0.00 O ATOM 928 CB LEU A 80 19.457 17.328 -10.166 1.00 0.00 C ATOM 929 CG LEU A 80 20.089 18.670 -9.743 1.00 0.00 C ATOM 930 CD1 LEU A 80 19.694 19.849 -10.636 1.00 0.00 C ATOM 931 CD2 LEU A 80 19.657 19.012 -8.315 1.00 0.00 C ATOM 0 H LEU A 80 18.515 18.137 -12.266 1.00 0.00 H new ATOM 0 HA LEU A 80 20.980 16.947 -11.662 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.374 17.450 -10.190 1.00 0.00 H new ATOM 0 HB3 LEU A 80 19.677 16.587 -9.398 1.00 0.00 H new ATOM 0 HG LEU A 80 21.167 18.530 -9.829 1.00 0.00 H new ATOM 0 HD11 LEU A 80 20.178 20.757 -10.275 1.00 0.00 H new ATOM 0 HD12 LEU A 80 20.011 19.652 -11.660 1.00 0.00 H new ATOM 0 HD13 LEU A 80 18.612 19.979 -10.609 1.00 0.00 H new ATOM 0 HD21 LEU A 80 20.104 19.960 -8.017 1.00 0.00 H new ATOM 0 HD22 LEU A 80 18.571 19.094 -8.273 1.00 0.00 H new ATOM 0 HD23 LEU A 80 19.988 18.226 -7.637 1.00 0.00 H new ATOM 943 N LEU A 81 18.478 14.777 -11.941 1.00 0.00 N ATOM 944 CA LEU A 81 18.224 13.355 -12.226 1.00 0.00 C ATOM 945 C LEU A 81 19.143 12.834 -13.347 1.00 0.00 C ATOM 946 O LEU A 81 19.696 11.738 -13.246 1.00 0.00 O ATOM 947 CB LEU A 81 16.749 13.148 -12.626 1.00 0.00 C ATOM 948 CG LEU A 81 15.695 13.379 -11.532 1.00 0.00 C ATOM 949 CD1 LEU A 81 14.297 13.144 -12.102 1.00 0.00 C ATOM 950 CD2 LEU A 81 15.881 12.443 -10.334 1.00 0.00 C ATOM 0 H LEU A 81 17.657 15.373 -12.045 1.00 0.00 H new ATOM 0 HA LEU A 81 18.438 12.791 -11.318 1.00 0.00 H new ATOM 0 HB2 LEU A 81 16.526 13.815 -13.459 1.00 0.00 H new ATOM 0 HB3 LEU A 81 16.637 12.129 -12.996 1.00 0.00 H new ATOM 0 HG LEU A 81 15.816 14.407 -11.192 1.00 0.00 H new ATOM 0 HD11 LEU A 81 13.554 13.309 -11.322 1.00 0.00 H new ATOM 0 HD12 LEU A 81 14.119 13.836 -12.925 1.00 0.00 H new ATOM 0 HD13 LEU A 81 14.220 12.119 -12.466 1.00 0.00 H new ATOM 0 HD21 LEU A 81 15.111 12.647 -9.590 1.00 0.00 H new ATOM 0 HD22 LEU A 81 15.800 11.408 -10.665 1.00 0.00 H new ATOM 0 HD23 LEU A 81 16.864 12.607 -9.893 1.00 0.00 H new ATOM 962 N GLY A 82 19.342 13.633 -14.397 1.00 0.00 N ATOM 963 CA GLY A 82 20.246 13.324 -15.500 1.00 0.00 C ATOM 964 C GLY A 82 21.729 13.365 -15.115 1.00 0.00 C ATOM 965 O GLY A 82 22.481 12.512 -15.575 1.00 0.00 O ATOM 0 H GLY A 82 18.869 14.530 -14.504 1.00 0.00 H new ATOM 0 HA2 GLY A 82 20.008 12.333 -15.886 1.00 0.00 H new ATOM 0 HA3 GLY A 82 20.071 14.032 -16.310 1.00 0.00 H new ATOM 969 N GLU A 83 22.172 14.261 -14.222 1.00 0.00 N ATOM 970 CA GLU A 83 23.570 14.278 -13.772 1.00 0.00 C ATOM 971 C GLU A 83 23.874 13.096 -12.828 1.00 0.00 C ATOM 972 O GLU A 83 24.994 12.579 -12.817 1.00 0.00 O ATOM 973 CB GLU A 83 23.945 15.661 -13.198 1.00 0.00 C ATOM 974 CG GLU A 83 23.751 15.841 -11.691 1.00 0.00 C ATOM 975 CD GLU A 83 24.388 17.157 -11.206 1.00 0.00 C ATOM 976 OE1 GLU A 83 23.743 18.229 -11.310 1.00 0.00 O ATOM 977 OE2 GLU A 83 25.544 17.132 -10.716 1.00 0.00 O ATOM 0 H GLU A 83 21.585 14.980 -13.799 1.00 0.00 H new ATOM 0 HA GLU A 83 24.221 14.128 -14.633 1.00 0.00 H new ATOM 0 HB2 GLU A 83 24.990 15.859 -13.435 1.00 0.00 H new ATOM 0 HB3 GLU A 83 23.353 16.418 -13.713 1.00 0.00 H new ATOM 0 HG2 GLU A 83 22.687 15.839 -11.455 1.00 0.00 H new ATOM 0 HG3 GLU A 83 24.197 15.000 -11.160 1.00 0.00 H new ATOM 984 N LEU A 84 22.861 12.628 -12.083 1.00 0.00 N ATOM 985 CA LEU A 84 22.923 11.445 -11.230 1.00 0.00 C ATOM 986 C LEU A 84 22.990 10.132 -12.045 1.00 0.00 C ATOM 987 O LEU A 84 23.865 9.300 -11.795 1.00 0.00 O ATOM 988 CB LEU A 84 21.708 11.531 -10.283 1.00 0.00 C ATOM 989 CG LEU A 84 21.398 10.268 -9.471 1.00 0.00 C ATOM 990 CD1 LEU A 84 22.556 9.819 -8.579 1.00 0.00 C ATOM 991 CD2 LEU A 84 20.193 10.528 -8.565 1.00 0.00 C ATOM 0 H LEU A 84 21.948 13.082 -12.061 1.00 0.00 H new ATOM 0 HA LEU A 84 23.844 11.425 -10.648 1.00 0.00 H new ATOM 0 HB2 LEU A 84 21.872 12.355 -9.588 1.00 0.00 H new ATOM 0 HB3 LEU A 84 20.828 11.783 -10.875 1.00 0.00 H new ATOM 0 HG LEU A 84 21.204 9.480 -10.198 1.00 0.00 H new ATOM 0 HD11 LEU A 84 22.268 8.920 -8.033 1.00 0.00 H new ATOM 0 HD12 LEU A 84 23.429 9.605 -9.196 1.00 0.00 H new ATOM 0 HD13 LEU A 84 22.798 10.611 -7.871 1.00 0.00 H new ATOM 0 HD21 LEU A 84 19.972 9.631 -7.987 1.00 0.00 H new ATOM 0 HD22 LEU A 84 20.419 11.350 -7.886 1.00 0.00 H new ATOM 0 HD23 LEU A 84 19.328 10.789 -9.175 1.00 0.00 H new ATOM 1003 N LEU A 85 22.088 9.939 -13.018 1.00 0.00 N ATOM 1004 CA LEU A 85 21.905 8.673 -13.752 1.00 0.00 C ATOM 1005 C LEU A 85 22.548 8.664 -15.161 1.00 0.00 C ATOM 1006 O LEU A 85 22.510 7.653 -15.861 1.00 0.00 O ATOM 1007 CB LEU A 85 20.381 8.388 -13.778 1.00 0.00 C ATOM 1008 CG LEU A 85 19.889 6.951 -13.504 1.00 0.00 C ATOM 1009 CD1 LEU A 85 20.325 5.921 -14.538 1.00 0.00 C ATOM 1010 CD2 LEU A 85 20.322 6.450 -12.123 1.00 0.00 C ATOM 0 H LEU A 85 21.450 10.673 -13.325 1.00 0.00 H new ATOM 0 HA LEU A 85 22.436 7.872 -13.238 1.00 0.00 H new ATOM 0 HB2 LEU A 85 19.910 9.043 -13.045 1.00 0.00 H new ATOM 0 HB3 LEU A 85 20.006 8.684 -14.758 1.00 0.00 H new ATOM 0 HG LEU A 85 18.804 7.039 -13.559 1.00 0.00 H new ATOM 0 HD11 LEU A 85 19.933 4.942 -14.263 1.00 0.00 H new ATOM 0 HD12 LEU A 85 19.940 6.204 -15.518 1.00 0.00 H new ATOM 0 HD13 LEU A 85 21.414 5.880 -14.574 1.00 0.00 H new ATOM 0 HD21 LEU A 85 19.954 5.435 -11.972 1.00 0.00 H new ATOM 0 HD22 LEU A 85 21.410 6.455 -12.059 1.00 0.00 H new ATOM 0 HD23 LEU A 85 19.910 7.103 -11.353 1.00 0.00 H new ATOM 1022 N GLY A 86 23.078 9.794 -15.638 1.00 0.00 N ATOM 1023 CA GLY A 86 23.568 9.998 -17.015 1.00 0.00 C ATOM 1024 C GLY A 86 22.449 10.270 -18.038 1.00 0.00 C ATOM 1025 O GLY A 86 22.663 10.975 -19.027 1.00 0.00 O ATOM 0 H GLY A 86 23.184 10.626 -15.058 1.00 0.00 H new ATOM 0 HA2 GLY A 86 24.266 10.835 -17.022 1.00 0.00 H new ATOM 0 HA3 GLY A 86 24.126 9.115 -17.327 1.00 0.00 H new ATOM 1029 N ARG A 87 21.248 9.733 -17.779 1.00 0.00 N ATOM 1030 CA ARG A 87 19.997 9.885 -18.547 1.00 0.00 C ATOM 1031 C ARG A 87 18.790 9.610 -17.643 1.00 0.00 C ATOM 1032 O ARG A 87 18.804 8.647 -16.887 1.00 0.00 O ATOM 1033 CB ARG A 87 20.005 8.960 -19.792 1.00 0.00 C ATOM 1034 CG ARG A 87 19.847 7.438 -19.569 1.00 0.00 C ATOM 1035 CD ARG A 87 20.817 6.857 -18.532 1.00 0.00 C ATOM 1036 NE ARG A 87 20.786 5.384 -18.493 1.00 0.00 N ATOM 1037 CZ ARG A 87 21.652 4.597 -17.876 1.00 0.00 C ATOM 1038 NH1 ARG A 87 22.589 5.065 -17.099 1.00 0.00 N ATOM 1039 NH2 ARG A 87 21.588 3.306 -18.028 1.00 0.00 N ATOM 0 H ARG A 87 21.112 9.134 -16.965 1.00 0.00 H new ATOM 0 HA ARG A 87 19.921 10.911 -18.906 1.00 0.00 H new ATOM 0 HB2 ARG A 87 19.203 9.285 -20.454 1.00 0.00 H new ATOM 0 HB3 ARG A 87 20.943 9.124 -20.323 1.00 0.00 H new ATOM 0 HG2 ARG A 87 18.825 7.232 -19.252 1.00 0.00 H new ATOM 0 HG3 ARG A 87 19.996 6.924 -20.519 1.00 0.00 H new ATOM 0 HD2 ARG A 87 21.830 7.190 -18.760 1.00 0.00 H new ATOM 0 HD3 ARG A 87 20.567 7.249 -17.546 1.00 0.00 H new ATOM 0 HE ARG A 87 20.022 4.927 -18.990 1.00 0.00 H new ATOM 0 HH11 ARG A 87 22.673 6.071 -16.950 1.00 0.00 H new ATOM 0 HH12 ARG A 87 23.238 4.426 -16.641 1.00 0.00 H new ATOM 0 HH21 ARG A 87 20.868 2.898 -18.625 1.00 0.00 H new ATOM 0 HH22 ARG A 87 22.258 2.702 -17.551 1.00 0.00 H new ATOM 1053 N GLN A 88 17.752 10.436 -17.696 1.00 0.00 N ATOM 1054 CA GLN A 88 16.533 10.257 -16.883 1.00 0.00 C ATOM 1055 C GLN A 88 15.302 10.788 -17.639 1.00 0.00 C ATOM 1056 O GLN A 88 14.443 11.475 -17.093 1.00 0.00 O ATOM 1057 CB GLN A 88 16.762 10.836 -15.464 1.00 0.00 C ATOM 1058 CG GLN A 88 16.953 9.755 -14.375 1.00 0.00 C ATOM 1059 CD GLN A 88 15.656 9.277 -13.715 1.00 0.00 C ATOM 1060 OE1 GLN A 88 14.546 9.595 -14.111 1.00 0.00 O ATOM 1061 NE2 GLN A 88 15.745 8.501 -12.652 1.00 0.00 N ATOM 0 H GLN A 88 17.722 11.255 -18.303 1.00 0.00 H new ATOM 0 HA GLN A 88 16.315 9.201 -16.724 1.00 0.00 H new ATOM 0 HB2 GLN A 88 17.641 11.481 -15.482 1.00 0.00 H new ATOM 0 HB3 GLN A 88 15.912 11.463 -15.196 1.00 0.00 H new ATOM 0 HG2 GLN A 88 17.457 8.896 -14.819 1.00 0.00 H new ATOM 0 HG3 GLN A 88 17.614 10.149 -13.603 1.00 0.00 H new ATOM 0 HE21 GLN A 88 16.661 8.221 -12.300 1.00 0.00 H new ATOM 0 HE22 GLN A 88 14.898 8.181 -12.182 1.00 0.00 H new ATOM 1070 N SER A 89 15.231 10.484 -18.937 1.00 0.00 N ATOM 1071 CA SER A 89 14.020 10.735 -19.741 1.00 0.00 C ATOM 1072 C SER A 89 13.134 9.487 -19.769 1.00 0.00 C ATOM 1073 O SER A 89 13.629 8.366 -19.918 1.00 0.00 O ATOM 1074 CB SER A 89 14.339 11.213 -21.155 1.00 0.00 C ATOM 1075 OG SER A 89 15.251 12.307 -21.116 1.00 0.00 O ATOM 0 H SER A 89 15.998 10.062 -19.460 1.00 0.00 H new ATOM 0 HA SER A 89 13.475 11.547 -19.259 1.00 0.00 H new ATOM 0 HB2 SER A 89 14.767 10.395 -21.734 1.00 0.00 H new ATOM 0 HB3 SER A 89 13.421 11.514 -21.660 1.00 0.00 H new ATOM 0 HG SER A 89 15.448 12.602 -22.030 1.00 0.00 H new ATOM 1081 N PHE A 90 11.826 9.677 -19.602 1.00 0.00 N ATOM 1082 CA PHE A 90 10.852 8.595 -19.382 1.00 0.00 C ATOM 1083 C PHE A 90 9.412 8.990 -19.726 1.00 0.00 C ATOM 1084 O PHE A 90 9.087 10.167 -19.890 1.00 0.00 O ATOM 1085 CB PHE A 90 10.929 8.124 -17.914 1.00 0.00 C ATOM 1086 CG PHE A 90 10.610 9.182 -16.870 1.00 0.00 C ATOM 1087 CD1 PHE A 90 9.286 9.396 -16.436 1.00 0.00 C ATOM 1088 CD2 PHE A 90 11.655 9.924 -16.293 1.00 0.00 C ATOM 1089 CE1 PHE A 90 9.014 10.371 -15.457 1.00 0.00 C ATOM 1090 CE2 PHE A 90 11.385 10.890 -15.310 1.00 0.00 C ATOM 1091 CZ PHE A 90 10.062 11.122 -14.899 1.00 0.00 C ATOM 0 H PHE A 90 11.400 10.604 -19.615 1.00 0.00 H new ATOM 0 HA PHE A 90 11.121 7.786 -20.061 1.00 0.00 H new ATOM 0 HB2 PHE A 90 10.241 7.289 -17.782 1.00 0.00 H new ATOM 0 HB3 PHE A 90 11.933 7.743 -17.725 1.00 0.00 H new ATOM 0 HD1 PHE A 90 8.480 8.812 -16.855 1.00 0.00 H new ATOM 0 HD2 PHE A 90 12.673 9.750 -16.608 1.00 0.00 H new ATOM 0 HE1 PHE A 90 7.998 10.542 -15.134 1.00 0.00 H new ATOM 0 HE2 PHE A 90 12.194 11.454 -14.870 1.00 0.00 H new ATOM 0 HZ PHE A 90 9.851 11.876 -14.155 1.00 0.00 H new ATOM 1101 N SER A 91 8.540 7.981 -19.793 1.00 0.00 N ATOM 1102 CA SER A 91 7.088 8.143 -19.904 1.00 0.00 C ATOM 1103 C SER A 91 6.392 7.870 -18.573 1.00 0.00 C ATOM 1104 O SER A 91 6.703 6.897 -17.885 1.00 0.00 O ATOM 1105 CB SER A 91 6.549 7.199 -20.969 1.00 0.00 C ATOM 1106 OG SER A 91 5.211 7.528 -21.301 1.00 0.00 O ATOM 0 H SER A 91 8.832 7.004 -19.771 1.00 0.00 H new ATOM 0 HA SER A 91 6.883 9.176 -20.185 1.00 0.00 H new ATOM 0 HB2 SER A 91 7.174 7.254 -21.860 1.00 0.00 H new ATOM 0 HB3 SER A 91 6.597 6.171 -20.609 1.00 0.00 H new ATOM 0 HG SER A 91 5.039 8.466 -21.074 1.00 0.00 H new ATOM 1112 N VAL A 92 5.426 8.718 -18.216 1.00 0.00 N ATOM 1113 CA VAL A 92 4.634 8.571 -16.981 1.00 0.00 C ATOM 1114 C VAL A 92 3.525 7.508 -17.047 1.00 0.00 C ATOM 1115 O VAL A 92 2.974 7.138 -16.009 1.00 0.00 O ATOM 1116 CB VAL A 92 4.101 9.924 -16.458 1.00 0.00 C ATOM 1117 CG1 VAL A 92 5.191 10.762 -15.806 1.00 0.00 C ATOM 1118 CG2 VAL A 92 3.511 10.803 -17.553 1.00 0.00 C ATOM 0 H VAL A 92 5.165 9.531 -18.774 1.00 0.00 H new ATOM 0 HA VAL A 92 5.347 8.188 -16.251 1.00 0.00 H new ATOM 0 HB VAL A 92 3.332 9.636 -15.741 1.00 0.00 H new ATOM 0 HG11 VAL A 92 4.766 11.702 -15.455 1.00 0.00 H new ATOM 0 HG12 VAL A 92 5.613 10.217 -14.962 1.00 0.00 H new ATOM 0 HG13 VAL A 92 5.976 10.968 -16.534 1.00 0.00 H new ATOM 0 HG21 VAL A 92 3.156 11.737 -17.118 1.00 0.00 H new ATOM 0 HG22 VAL A 92 4.276 11.018 -18.299 1.00 0.00 H new ATOM 0 HG23 VAL A 92 2.678 10.284 -18.027 1.00 0.00 H new ATOM 1128 N LYS A 93 3.203 6.984 -18.241 1.00 0.00 N ATOM 1129 CA LYS A 93 2.113 6.002 -18.453 1.00 0.00 C ATOM 1130 C LYS A 93 2.492 4.534 -18.192 1.00 0.00 C ATOM 1131 O LYS A 93 1.627 3.659 -18.218 1.00 0.00 O ATOM 1132 CB LYS A 93 1.535 6.196 -19.866 1.00 0.00 C ATOM 1133 CG LYS A 93 2.413 5.584 -20.972 1.00 0.00 C ATOM 1134 CD LYS A 93 1.967 6.049 -22.366 1.00 0.00 C ATOM 1135 CE LYS A 93 2.846 5.441 -23.469 1.00 0.00 C ATOM 1136 NZ LYS A 93 4.126 6.185 -23.642 1.00 0.00 N ATOM 0 H LYS A 93 3.695 7.230 -19.100 1.00 0.00 H new ATOM 0 HA LYS A 93 1.356 6.209 -17.697 1.00 0.00 H new ATOM 0 HB2 LYS A 93 0.542 5.748 -19.910 1.00 0.00 H new ATOM 0 HB3 LYS A 93 1.412 7.262 -20.058 1.00 0.00 H new ATOM 0 HG2 LYS A 93 3.454 5.865 -20.809 1.00 0.00 H new ATOM 0 HG3 LYS A 93 2.364 4.496 -20.917 1.00 0.00 H new ATOM 0 HD2 LYS A 93 0.927 5.766 -22.530 1.00 0.00 H new ATOM 0 HD3 LYS A 93 2.013 7.137 -22.420 1.00 0.00 H new ATOM 0 HE2 LYS A 93 3.062 4.400 -23.227 1.00 0.00 H new ATOM 0 HE3 LYS A 93 2.297 5.442 -24.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 4.870 5.528 -23.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 4.001 6.930 -24.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 4.402 6.617 -22.737 1.00 0.00 H new ATOM 1150 N ASP A 94 3.779 4.262 -17.977 1.00 0.00 N ATOM 1151 CA ASP A 94 4.382 2.930 -17.921 1.00 0.00 C ATOM 1152 C ASP A 94 5.056 2.679 -16.548 1.00 0.00 C ATOM 1153 O ASP A 94 6.191 3.112 -16.331 1.00 0.00 O ATOM 1154 CB ASP A 94 5.339 2.767 -19.114 1.00 0.00 C ATOM 1155 CG ASP A 94 5.744 1.302 -19.374 1.00 0.00 C ATOM 1156 OD1 ASP A 94 5.290 0.385 -18.648 1.00 0.00 O ATOM 1157 OD2 ASP A 94 6.503 1.062 -20.344 1.00 0.00 O ATOM 0 H ASP A 94 4.465 5.003 -17.830 1.00 0.00 H new ATOM 0 HA ASP A 94 3.612 2.163 -18.007 1.00 0.00 H new ATOM 0 HB2 ASP A 94 4.865 3.170 -20.009 1.00 0.00 H new ATOM 0 HB3 ASP A 94 6.237 3.359 -18.935 1.00 0.00 H new ATOM 1162 N PRO A 95 4.377 2.019 -15.587 1.00 0.00 N ATOM 1163 CA PRO A 95 4.902 1.755 -14.243 1.00 0.00 C ATOM 1164 C PRO A 95 6.190 0.913 -14.193 1.00 0.00 C ATOM 1165 O PRO A 95 7.004 1.125 -13.295 1.00 0.00 O ATOM 1166 CB PRO A 95 3.757 1.075 -13.477 1.00 0.00 C ATOM 1167 CG PRO A 95 2.818 0.564 -14.570 1.00 0.00 C ATOM 1168 CD PRO A 95 2.978 1.633 -15.645 1.00 0.00 C ATOM 0 HA PRO A 95 5.213 2.698 -13.794 1.00 0.00 H new ATOM 0 HB2 PRO A 95 4.125 0.258 -12.856 1.00 0.00 H new ATOM 0 HB3 PRO A 95 3.251 1.777 -12.814 1.00 0.00 H new ATOM 0 HG2 PRO A 95 3.108 -0.423 -14.929 1.00 0.00 H new ATOM 0 HG3 PRO A 95 1.788 0.486 -14.221 1.00 0.00 H new ATOM 0 HD2 PRO A 95 2.716 1.245 -16.629 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.325 2.485 -15.454 1.00 0.00 H new ATOM 1176 N SER A 96 6.429 -0.011 -15.132 1.00 0.00 N ATOM 1177 CA SER A 96 7.618 -0.887 -15.105 1.00 0.00 C ATOM 1178 C SER A 96 8.957 -0.125 -15.161 1.00 0.00 C ATOM 1179 O SER A 96 9.767 -0.296 -14.241 1.00 0.00 O ATOM 1180 CB SER A 96 7.563 -1.951 -16.207 1.00 0.00 C ATOM 1181 OG SER A 96 6.464 -2.827 -15.993 1.00 0.00 O ATOM 0 H SER A 96 5.812 -0.176 -15.928 1.00 0.00 H new ATOM 0 HA SER A 96 7.583 -1.381 -14.134 1.00 0.00 H new ATOM 0 HB2 SER A 96 7.470 -1.471 -17.181 1.00 0.00 H new ATOM 0 HB3 SER A 96 8.493 -2.520 -16.220 1.00 0.00 H new ATOM 0 HG SER A 96 6.439 -3.501 -16.704 1.00 0.00 H new ATOM 1187 N PRO A 97 9.221 0.750 -16.159 1.00 0.00 N ATOM 1188 CA PRO A 97 10.437 1.560 -16.179 1.00 0.00 C ATOM 1189 C PRO A 97 10.477 2.602 -15.050 1.00 0.00 C ATOM 1190 O PRO A 97 11.565 2.939 -14.582 1.00 0.00 O ATOM 1191 CB PRO A 97 10.479 2.220 -17.563 1.00 0.00 C ATOM 1192 CG PRO A 97 9.010 2.280 -17.974 1.00 0.00 C ATOM 1193 CD PRO A 97 8.462 0.986 -17.379 1.00 0.00 C ATOM 0 HA PRO A 97 11.314 0.936 -16.006 1.00 0.00 H new ATOM 0 HB2 PRO A 97 10.925 3.214 -17.520 1.00 0.00 H new ATOM 0 HB3 PRO A 97 11.070 1.636 -18.269 1.00 0.00 H new ATOM 0 HG2 PRO A 97 8.509 3.159 -17.570 1.00 0.00 H new ATOM 0 HG3 PRO A 97 8.890 2.314 -19.057 1.00 0.00 H new ATOM 0 HD2 PRO A 97 7.397 1.076 -17.164 1.00 0.00 H new ATOM 0 HD3 PRO A 97 8.578 0.157 -18.077 1.00 0.00 H new ATOM 1201 N LEU A 98 9.321 3.080 -14.559 1.00 0.00 N ATOM 1202 CA LEU A 98 9.257 3.960 -13.393 1.00 0.00 C ATOM 1203 C LEU A 98 9.821 3.254 -12.155 1.00 0.00 C ATOM 1204 O LEU A 98 10.771 3.760 -11.565 1.00 0.00 O ATOM 1205 CB LEU A 98 7.817 4.464 -13.178 1.00 0.00 C ATOM 1206 CG LEU A 98 7.348 5.565 -14.150 1.00 0.00 C ATOM 1207 CD1 LEU A 98 5.888 5.916 -13.866 1.00 0.00 C ATOM 1208 CD2 LEU A 98 8.189 6.831 -14.016 1.00 0.00 C ATOM 0 H LEU A 98 8.409 2.864 -14.963 1.00 0.00 H new ATOM 0 HA LEU A 98 9.880 4.836 -13.572 1.00 0.00 H new ATOM 0 HB2 LEU A 98 7.137 3.616 -13.262 1.00 0.00 H new ATOM 0 HB3 LEU A 98 7.731 4.842 -12.159 1.00 0.00 H new ATOM 0 HG LEU A 98 7.460 5.178 -15.163 1.00 0.00 H new ATOM 0 HD11 LEU A 98 5.560 6.694 -14.555 1.00 0.00 H new ATOM 0 HD12 LEU A 98 5.268 5.029 -13.999 1.00 0.00 H new ATOM 0 HD13 LEU A 98 5.793 6.275 -12.841 1.00 0.00 H new ATOM 0 HD21 LEU A 98 7.828 7.584 -14.717 1.00 0.00 H new ATOM 0 HD22 LEU A 98 8.109 7.215 -12.999 1.00 0.00 H new ATOM 0 HD23 LEU A 98 9.231 6.600 -14.236 1.00 0.00 H new ATOM 1220 N TYR A 99 9.327 2.063 -11.804 1.00 0.00 N ATOM 1221 CA TYR A 99 9.851 1.285 -10.676 1.00 0.00 C ATOM 1222 C TYR A 99 11.344 0.945 -10.822 1.00 0.00 C ATOM 1223 O TYR A 99 12.083 1.048 -9.841 1.00 0.00 O ATOM 1224 CB TYR A 99 9.013 0.010 -10.489 1.00 0.00 C ATOM 1225 CG TYR A 99 7.681 0.224 -9.787 1.00 0.00 C ATOM 1226 CD1 TYR A 99 7.651 0.753 -8.480 1.00 0.00 C ATOM 1227 CD2 TYR A 99 6.475 -0.137 -10.421 1.00 0.00 C ATOM 1228 CE1 TYR A 99 6.422 0.945 -7.819 1.00 0.00 C ATOM 1229 CE2 TYR A 99 5.243 0.054 -9.764 1.00 0.00 C ATOM 1230 CZ TYR A 99 5.212 0.599 -8.462 1.00 0.00 C ATOM 1231 OH TYR A 99 4.016 0.776 -7.833 1.00 0.00 O ATOM 0 H TYR A 99 8.554 1.611 -12.292 1.00 0.00 H new ATOM 0 HA TYR A 99 9.769 1.909 -9.786 1.00 0.00 H new ATOM 0 HB2 TYR A 99 8.826 -0.433 -11.467 1.00 0.00 H new ATOM 0 HB3 TYR A 99 9.597 -0.712 -9.919 1.00 0.00 H new ATOM 0 HD1 TYR A 99 8.575 1.012 -7.984 1.00 0.00 H new ATOM 0 HD2 TYR A 99 6.495 -0.562 -11.414 1.00 0.00 H new ATOM 0 HE1 TYR A 99 6.404 1.357 -6.821 1.00 0.00 H new ATOM 0 HE2 TYR A 99 4.321 -0.217 -10.257 1.00 0.00 H new ATOM 0 HH TYR A 99 3.290 0.486 -8.423 1.00 0.00 H new ATOM 1241 N ASP A 100 11.813 0.609 -12.030 1.00 0.00 N ATOM 1242 CA ASP A 100 13.230 0.319 -12.293 1.00 0.00 C ATOM 1243 C ASP A 100 14.150 1.500 -11.939 1.00 0.00 C ATOM 1244 O ASP A 100 15.127 1.334 -11.207 1.00 0.00 O ATOM 1245 CB ASP A 100 13.414 -0.057 -13.767 1.00 0.00 C ATOM 1246 CG ASP A 100 14.850 -0.535 -14.036 1.00 0.00 C ATOM 1247 OD1 ASP A 100 15.153 -1.725 -13.787 1.00 0.00 O ATOM 1248 OD2 ASP A 100 15.695 0.280 -14.476 1.00 0.00 O ATOM 0 H ASP A 100 11.219 0.530 -12.856 1.00 0.00 H new ATOM 0 HA ASP A 100 13.515 -0.515 -11.652 1.00 0.00 H new ATOM 0 HB2 ASP A 100 12.708 -0.843 -14.037 1.00 0.00 H new ATOM 0 HB3 ASP A 100 13.189 0.804 -14.397 1.00 0.00 H new ATOM 1253 N MET A 101 13.807 2.703 -12.410 1.00 0.00 N ATOM 1254 CA MET A 101 14.535 3.936 -12.078 1.00 0.00 C ATOM 1255 C MET A 101 14.372 4.329 -10.609 1.00 0.00 C ATOM 1256 O MET A 101 15.354 4.654 -9.949 1.00 0.00 O ATOM 1257 CB MET A 101 14.013 5.106 -12.906 1.00 0.00 C ATOM 1258 CG MET A 101 14.243 5.015 -14.414 1.00 0.00 C ATOM 1259 SD MET A 101 13.598 6.461 -15.306 1.00 0.00 S ATOM 1260 CE MET A 101 11.903 6.541 -14.648 1.00 0.00 C ATOM 0 H MET A 101 13.014 2.852 -13.034 1.00 0.00 H new ATOM 0 HA MET A 101 15.584 3.730 -12.291 1.00 0.00 H new ATOM 0 HB2 MET A 101 12.942 5.203 -12.727 1.00 0.00 H new ATOM 0 HB3 MET A 101 14.481 6.021 -12.542 1.00 0.00 H new ATOM 0 HG2 MET A 101 15.311 4.918 -14.610 1.00 0.00 H new ATOM 0 HG3 MET A 101 13.765 4.113 -14.797 1.00 0.00 H new ATOM 0 HE1 MET A 101 11.222 6.863 -15.436 1.00 0.00 H new ATOM 0 HE2 MET A 101 11.604 5.555 -14.291 1.00 0.00 H new ATOM 0 HE3 MET A 101 11.866 7.252 -13.823 1.00 0.00 H new ATOM 1270 N LEU A 102 13.148 4.323 -10.079 1.00 0.00 N ATOM 1271 CA LEU A 102 12.847 4.700 -8.695 1.00 0.00 C ATOM 1272 C LEU A 102 13.689 3.886 -7.708 1.00 0.00 C ATOM 1273 O LEU A 102 14.391 4.488 -6.901 1.00 0.00 O ATOM 1274 CB LEU A 102 11.340 4.539 -8.427 1.00 0.00 C ATOM 1275 CG LEU A 102 10.442 5.612 -9.080 1.00 0.00 C ATOM 1276 CD1 LEU A 102 8.992 5.146 -8.953 1.00 0.00 C ATOM 1277 CD2 LEU A 102 10.586 6.970 -8.391 1.00 0.00 C ATOM 0 H LEU A 102 12.321 4.051 -10.610 1.00 0.00 H new ATOM 0 HA LEU A 102 13.110 5.748 -8.548 1.00 0.00 H new ATOM 0 HB2 LEU A 102 11.026 3.558 -8.784 1.00 0.00 H new ATOM 0 HB3 LEU A 102 11.174 4.555 -7.350 1.00 0.00 H new ATOM 0 HG LEU A 102 10.739 5.734 -10.122 1.00 0.00 H new ATOM 0 HD11 LEU A 102 8.331 5.885 -9.406 1.00 0.00 H new ATOM 0 HD12 LEU A 102 8.871 4.190 -9.463 1.00 0.00 H new ATOM 0 HD13 LEU A 102 8.738 5.030 -7.899 1.00 0.00 H new ATOM 0 HD21 LEU A 102 9.938 7.697 -8.881 1.00 0.00 H new ATOM 0 HD22 LEU A 102 10.302 6.878 -7.343 1.00 0.00 H new ATOM 0 HD23 LEU A 102 11.621 7.304 -8.458 1.00 0.00 H new ATOM 1289 N ARG A 103 13.763 2.557 -7.857 1.00 0.00 N ATOM 1290 CA ARG A 103 14.617 1.682 -7.019 1.00 0.00 C ATOM 1291 C ARG A 103 16.118 2.021 -7.087 1.00 0.00 C ATOM 1292 O ARG A 103 16.858 1.707 -6.154 1.00 0.00 O ATOM 1293 CB ARG A 103 14.375 0.212 -7.407 1.00 0.00 C ATOM 1294 CG ARG A 103 12.988 -0.281 -6.960 1.00 0.00 C ATOM 1295 CD ARG A 103 12.701 -1.678 -7.521 1.00 0.00 C ATOM 1296 NE ARG A 103 11.366 -2.159 -7.110 1.00 0.00 N ATOM 1297 CZ ARG A 103 10.796 -3.301 -7.459 1.00 0.00 C ATOM 1298 NH1 ARG A 103 11.389 -4.163 -8.236 1.00 0.00 N ATOM 1299 NH2 ARG A 103 9.605 -3.603 -7.026 1.00 0.00 N ATOM 0 H ARG A 103 13.232 2.049 -8.564 1.00 0.00 H new ATOM 0 HA ARG A 103 14.327 1.856 -5.983 1.00 0.00 H new ATOM 0 HB2 ARG A 103 14.468 0.102 -8.487 1.00 0.00 H new ATOM 0 HB3 ARG A 103 15.145 -0.414 -6.956 1.00 0.00 H new ATOM 0 HG2 ARG A 103 12.939 -0.304 -5.871 1.00 0.00 H new ATOM 0 HG3 ARG A 103 12.222 0.417 -7.299 1.00 0.00 H new ATOM 0 HD2 ARG A 103 12.762 -1.655 -8.609 1.00 0.00 H new ATOM 0 HD3 ARG A 103 13.464 -2.375 -7.174 1.00 0.00 H new ATOM 0 HE ARG A 103 10.829 -1.548 -6.494 1.00 0.00 H new ATOM 0 HH11 ARG A 103 12.323 -3.967 -8.596 1.00 0.00 H new ATOM 0 HH12 ARG A 103 10.919 -5.034 -8.484 1.00 0.00 H new ATOM 0 HH21 ARG A 103 9.106 -2.957 -6.414 1.00 0.00 H new ATOM 0 HH22 ARG A 103 9.172 -4.485 -7.299 1.00 0.00 H new ATOM 1313 N LYS A 104 16.560 2.695 -8.158 1.00 0.00 N ATOM 1314 CA LYS A 104 17.927 3.228 -8.346 1.00 0.00 C ATOM 1315 C LYS A 104 18.119 4.644 -7.790 1.00 0.00 C ATOM 1316 O LYS A 104 19.259 5.022 -7.521 1.00 0.00 O ATOM 1317 CB LYS A 104 18.305 3.147 -9.843 1.00 0.00 C ATOM 1318 CG LYS A 104 18.404 1.682 -10.302 1.00 0.00 C ATOM 1319 CD LYS A 104 18.469 1.541 -11.828 1.00 0.00 C ATOM 1320 CE LYS A 104 18.453 0.047 -12.173 1.00 0.00 C ATOM 1321 NZ LYS A 104 18.319 -0.189 -13.634 1.00 0.00 N ATOM 0 H LYS A 104 15.953 2.895 -8.953 1.00 0.00 H new ATOM 0 HA LYS A 104 18.604 2.604 -7.762 1.00 0.00 H new ATOM 0 HB2 LYS A 104 17.558 3.670 -10.440 1.00 0.00 H new ATOM 0 HB3 LYS A 104 19.257 3.651 -10.010 1.00 0.00 H new ATOM 0 HG2 LYS A 104 19.291 1.227 -9.861 1.00 0.00 H new ATOM 0 HG3 LYS A 104 17.543 1.129 -9.927 1.00 0.00 H new ATOM 0 HD2 LYS A 104 17.623 2.047 -12.293 1.00 0.00 H new ATOM 0 HD3 LYS A 104 19.373 2.011 -12.215 1.00 0.00 H new ATOM 0 HE2 LYS A 104 19.372 -0.417 -11.814 1.00 0.00 H new ATOM 0 HE3 LYS A 104 17.627 -0.436 -11.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 18.629 -1.156 -13.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 17.325 -0.070 -13.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 18.909 0.493 -14.151 1.00 0.00 H new ATOM 1335 N ASN A 105 17.046 5.428 -7.618 1.00 0.00 N ATOM 1336 CA ASN A 105 17.132 6.865 -7.283 1.00 0.00 C ATOM 1337 C ASN A 105 16.641 7.192 -5.852 1.00 0.00 C ATOM 1338 O ASN A 105 17.196 8.052 -5.173 1.00 0.00 O ATOM 1339 CB ASN A 105 16.422 7.655 -8.407 1.00 0.00 C ATOM 1340 CG ASN A 105 17.241 7.696 -9.691 1.00 0.00 C ATOM 1341 OD1 ASN A 105 17.919 8.659 -10.002 1.00 0.00 O ATOM 1342 ND2 ASN A 105 17.220 6.651 -10.484 1.00 0.00 N ATOM 0 H ASN A 105 16.089 5.087 -7.707 1.00 0.00 H new ATOM 0 HA ASN A 105 18.176 7.178 -7.247 1.00 0.00 H new ATOM 0 HB2 ASN A 105 15.453 7.200 -8.611 1.00 0.00 H new ATOM 0 HB3 ASN A 105 16.231 8.673 -8.068 1.00 0.00 H new ATOM 0 HD21 ASN A 105 17.766 6.654 -11.346 1.00 0.00 H new ATOM 0 HD22 ASN A 105 16.658 5.836 -10.239 1.00 0.00 H new ATOM 1349 N LEU A 106 15.644 6.467 -5.357 1.00 0.00 N ATOM 1350 CA LEU A 106 15.172 6.449 -3.970 1.00 0.00 C ATOM 1351 C LEU A 106 15.800 5.245 -3.244 1.00 0.00 C ATOM 1352 O LEU A 106 15.572 4.098 -3.631 1.00 0.00 O ATOM 1353 CB LEU A 106 13.626 6.422 -3.973 1.00 0.00 C ATOM 1354 CG LEU A 106 12.950 6.222 -2.599 1.00 0.00 C ATOM 1355 CD1 LEU A 106 13.349 7.290 -1.581 1.00 0.00 C ATOM 1356 CD2 LEU A 106 11.432 6.288 -2.754 1.00 0.00 C ATOM 0 H LEU A 106 15.107 5.834 -5.949 1.00 0.00 H new ATOM 0 HA LEU A 106 15.479 7.343 -3.428 1.00 0.00 H new ATOM 0 HB2 LEU A 106 13.267 7.359 -4.400 1.00 0.00 H new ATOM 0 HB3 LEU A 106 13.298 5.623 -4.637 1.00 0.00 H new ATOM 0 HG LEU A 106 13.280 5.249 -2.236 1.00 0.00 H new ATOM 0 HD11 LEU A 106 12.843 7.098 -0.635 1.00 0.00 H new ATOM 0 HD12 LEU A 106 14.428 7.262 -1.428 1.00 0.00 H new ATOM 0 HD13 LEU A 106 13.061 8.273 -1.953 1.00 0.00 H new ATOM 0 HD21 LEU A 106 10.960 6.146 -1.782 1.00 0.00 H new ATOM 0 HD22 LEU A 106 11.149 7.261 -3.156 1.00 0.00 H new ATOM 0 HD23 LEU A 106 11.101 5.504 -3.435 1.00 0.00 H new ATOM 1368 N VAL A 107 16.583 5.495 -2.186 1.00 0.00 N ATOM 1369 CA VAL A 107 17.180 4.420 -1.366 1.00 0.00 C ATOM 1370 C VAL A 107 16.071 3.702 -0.588 1.00 0.00 C ATOM 1371 O VAL A 107 15.210 4.352 0.003 1.00 0.00 O ATOM 1372 CB VAL A 107 18.279 4.944 -0.414 1.00 0.00 C ATOM 1373 CG1 VAL A 107 19.017 3.788 0.272 1.00 0.00 C ATOM 1374 CG2 VAL A 107 19.329 5.781 -1.162 1.00 0.00 C ATOM 0 H VAL A 107 16.822 6.436 -1.873 1.00 0.00 H new ATOM 0 HA VAL A 107 17.671 3.715 -2.037 1.00 0.00 H new ATOM 0 HB VAL A 107 17.768 5.562 0.324 1.00 0.00 H new ATOM 0 HG11 VAL A 107 19.784 4.188 0.935 1.00 0.00 H new ATOM 0 HG12 VAL A 107 18.308 3.197 0.852 1.00 0.00 H new ATOM 0 HG13 VAL A 107 19.484 3.156 -0.483 1.00 0.00 H new ATOM 0 HG21 VAL A 107 20.084 6.131 -0.458 1.00 0.00 H new ATOM 0 HG22 VAL A 107 19.804 5.169 -1.929 1.00 0.00 H new ATOM 0 HG23 VAL A 107 18.845 6.638 -1.630 1.00 0.00 H new ATOM 1384 N THR A 108 16.067 2.366 -0.602 1.00 0.00 N ATOM 1385 CA THR A 108 15.010 1.535 0.007 1.00 0.00 C ATOM 1386 C THR A 108 15.544 0.182 0.511 1.00 0.00 C ATOM 1387 O THR A 108 16.741 -0.100 0.433 1.00 0.00 O ATOM 1388 CB THR A 108 13.837 1.380 -0.982 1.00 0.00 C ATOM 1389 OG1 THR A 108 12.690 0.945 -0.282 1.00 0.00 O ATOM 1390 CG2 THR A 108 14.114 0.379 -2.102 1.00 0.00 C ATOM 0 H THR A 108 16.806 1.818 -1.042 1.00 0.00 H new ATOM 0 HA THR A 108 14.640 2.045 0.896 1.00 0.00 H new ATOM 0 HB THR A 108 13.690 2.358 -1.440 1.00 0.00 H new ATOM 0 HG1 THR A 108 11.942 0.847 -0.908 1.00 0.00 H new ATOM 0 HG21 THR A 108 13.247 0.320 -2.760 1.00 0.00 H new ATOM 0 HG22 THR A 108 14.983 0.705 -2.674 1.00 0.00 H new ATOM 0 HG23 THR A 108 14.310 -0.603 -1.672 1.00 0.00 H new ATOM 1398 N LEU A 109 14.653 -0.663 1.037 1.00 0.00 N ATOM 1399 CA LEU A 109 14.950 -1.902 1.770 1.00 0.00 C ATOM 1400 C LEU A 109 15.118 -3.148 0.874 1.00 0.00 C ATOM 1401 O LEU A 109 14.827 -4.278 1.276 1.00 0.00 O ATOM 1402 CB LEU A 109 13.887 -2.105 2.864 1.00 0.00 C ATOM 1403 CG LEU A 109 13.624 -0.966 3.878 1.00 0.00 C ATOM 1404 CD1 LEU A 109 14.878 -0.164 4.237 1.00 0.00 C ATOM 1405 CD2 LEU A 109 12.541 0.013 3.415 1.00 0.00 C ATOM 0 H LEU A 109 13.650 -0.494 0.960 1.00 0.00 H new ATOM 0 HA LEU A 109 15.931 -1.782 2.230 1.00 0.00 H new ATOM 0 HB2 LEU A 109 12.943 -2.327 2.367 1.00 0.00 H new ATOM 0 HB3 LEU A 109 14.165 -2.993 3.432 1.00 0.00 H new ATOM 0 HG LEU A 109 13.277 -1.491 4.768 1.00 0.00 H new ATOM 0 HD11 LEU A 109 14.618 0.617 4.952 1.00 0.00 H new ATOM 0 HD12 LEU A 109 15.621 -0.828 4.679 1.00 0.00 H new ATOM 0 HD13 LEU A 109 15.289 0.291 3.336 1.00 0.00 H new ATOM 0 HD21 LEU A 109 12.404 0.787 4.170 1.00 0.00 H new ATOM 0 HD22 LEU A 109 12.844 0.473 2.474 1.00 0.00 H new ATOM 0 HD23 LEU A 109 11.603 -0.523 3.271 1.00 0.00 H new ATOM 1417 N ALA A 110 15.563 -2.925 -0.359 1.00 0.00 N ATOM 1418 CA ALA A 110 15.657 -3.913 -1.433 1.00 0.00 C ATOM 1419 C ALA A 110 16.904 -3.715 -2.322 1.00 0.00 C ATOM 1420 O ALA A 110 17.484 -2.625 -2.360 1.00 0.00 O ATOM 1421 CB ALA A 110 14.359 -3.818 -2.242 1.00 0.00 C ATOM 0 H ALA A 110 15.885 -2.003 -0.653 1.00 0.00 H new ATOM 0 HA ALA A 110 15.776 -4.910 -1.008 1.00 0.00 H new ATOM 0 HB1 ALA A 110 14.385 -4.541 -3.058 1.00 0.00 H new ATOM 0 HB2 ALA A 110 13.510 -4.033 -1.594 1.00 0.00 H new ATOM 0 HB3 ALA A 110 14.258 -2.813 -2.651 1.00 0.00 H new ATOM 1427 N THR A 111 17.300 -4.782 -3.032 1.00 0.00 N ATOM 1428 CA THR A 111 18.420 -4.850 -4.003 1.00 0.00 C ATOM 1429 C THR A 111 19.659 -4.051 -3.592 1.00 0.00 C ATOM 1430 O THR A 111 20.498 -4.540 -2.820 1.00 0.00 O ATOM 1431 CB THR A 111 18.001 -4.456 -5.432 1.00 0.00 C ATOM 1432 OG1 THR A 111 17.609 -3.099 -5.502 1.00 0.00 O ATOM 1433 CG2 THR A 111 16.841 -5.309 -5.955 1.00 0.00 C ATOM 0 H THR A 111 16.822 -5.679 -2.944 1.00 0.00 H new ATOM 0 HA THR A 111 18.698 -5.904 -3.997 1.00 0.00 H new ATOM 0 HB THR A 111 18.881 -4.626 -6.052 1.00 0.00 H new ATOM 0 HG1 THR A 111 17.351 -2.880 -6.422 1.00 0.00 H new ATOM 0 HG21 THR A 111 16.583 -4.992 -6.966 1.00 0.00 H new ATOM 0 HG22 THR A 111 17.138 -6.358 -5.968 1.00 0.00 H new ATOM 0 HG23 THR A 111 15.976 -5.185 -5.304 1.00 0.00 H new TER 1441 THR A 111 HETATM 1442 N 44Z A 200 2.586 10.432 -12.591 1.00 0.00 N HETATM 1443 C1 44Z A 200 -0.708 16.152 -11.767 1.00 0.00 C HETATM 1444 O1 44Z A 200 -1.040 17.315 -11.903 1.00 0.00 O HETATM 1445 N1 44Z A 200 -1.673 15.229 -11.646 1.00 0.00 N HETATM 1446 C2 44Z A 200 -1.415 13.790 -11.521 1.00 0.00 C HETATM 1447 C3 44Z A 200 -0.090 13.382 -12.190 1.00 0.00 C HETATM 1448 N2 44Z A 200 1.048 14.230 -11.766 1.00 0.00 N HETATM 1449 C4 44Z A 200 0.751 15.695 -11.720 1.00 0.00 C HETATM 1450 C5 44Z A 200 2.266 13.769 -11.364 1.00 0.00 C HETATM 1451 O5 44Z A 200 2.945 14.445 -10.611 1.00 0.00 O HETATM 1452 N3 44Z A 200 2.694 12.549 -11.762 1.00 0.00 N HETATM 1453 C6 44Z A 200 2.376 11.673 -12.833 1.00 0.00 C HETATM 1454 C7 44Z A 200 3.215 10.284 -11.248 1.00 0.00 C HETATM 1455 C8 44Z A 200 3.553 11.764 -10.876 1.00 0.00 C HETATM 1456 CG1 44Z A 200 5.043 12.100 -11.001 1.00 0.00 C HETATM 1457 CD1 44Z A 200 5.639 12.584 -12.171 1.00 0.00 C HETATM 1458 CE1 44Z A 200 7.030 12.682 -12.253 1.00 0.00 C HETATM 1459 CZ1 44Z A 200 7.829 12.331 -11.163 1.00 0.00 C HETATM 1460 CL 44Z A 200 9.548 12.398 -11.307 1.00 0.00 CL HETATM 1461 CE2 44Z A 200 7.237 11.866 -9.991 1.00 0.00 C HETATM 1462 CD2 44Z A 200 5.864 11.738 -9.940 1.00 0.00 C HETATM 1463 CG2 44Z A 200 4.426 9.343 -11.179 1.00 0.00 C HETATM 1464 CD3 44Z A 200 5.430 9.427 -12.144 1.00 0.00 C HETATM 1465 CE3 44Z A 200 6.682 8.868 -11.914 1.00 0.00 C HETATM 1466 CZ2 44Z A 200 6.900 8.098 -10.776 1.00 0.00 C HETATM 1467 CE4 44Z A 200 5.867 7.894 -9.874 1.00 0.00 C HETATM 1468 O4 44Z A 200 6.095 7.114 -8.764 1.00 0.00 O HETATM 1469 CD4 44Z A 200 4.651 8.548 -10.051 1.00 0.00 C HETATM 1470 CG3 44Z A 200 1.927 12.142 -14.180 1.00 0.00 C HETATM 1471 CD5 44Z A 200 1.173 11.260 -14.960 1.00 0.00 C HETATM 1472 CE5 44Z A 200 0.707 11.635 -16.214 1.00 0.00 C HETATM 1473 CZ3 44Z A 200 0.969 12.910 -16.714 1.00 0.00 C HETATM 1474 CE6 44Z A 200 1.759 13.776 -15.973 1.00 0.00 C HETATM 1475 CD6 44Z A 200 2.256 13.396 -14.721 1.00 0.00 C HETATM 1476 O6 44Z A 200 3.129 14.220 -14.041 1.00 0.00 O HETATM 1477 C9 44Z A 200 3.929 15.264 -14.636 1.00 0.00 C HETATM 1478 CM2 44Z A 200 4.530 16.082 -13.480 1.00 0.00 C HETATM 1479 CM3 44Z A 200 5.032 14.650 -15.515 1.00 0.00 C HETATM 1480 O3 44Z A 200 0.560 13.324 -17.968 1.00 0.00 O HETATM 1481 CM1 44Z A 200 -0.232 12.498 -18.854 1.00 0.00 C HETATM 1482 CM4 44Z A 200 5.313 5.913 -8.571 1.00 0.00 C