USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 757 hydrogens (27 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 53 MET CE :methyl -167:sc= -0.0329 (180deg=-0.54) USER MOD Set 1.2: A 99 TYR OH : rot -82:sc= 0.00721 USER MOD Set 2.1: A 73 MET CE :methyl -169:sc= -0.033 (180deg=-0.199) USER MOD Set 2.2: A 75 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 61 MET CE :methyl -179:sc= 0 (180deg=-0.00214) USER MOD Set 3.2: A 66 TYR OH : rot 30:sc= 0 USER MOD Set 4.1: A 59 TYR OH : rot -39:sc= 1.55 USER MOD Set 4.2: A 63 LYS NZ :NH3+ 156:sc= 0.658 (180deg=0.0579) USER MOD Single : A 23 GLN : amide:sc= -0.0102 X(o=-0.01,f=-0.01) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN : amide:sc= -0.213 X(o=-0.21,f=-0.19) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= 0.235 K(o=0.24,f=-1.5) USER MOD Single : A 43 GLN : amide:sc= -0.196 X(o=-0.2,f=-0.2) USER MOD Single : A 46 MET CE :methyl 168:sc=-0.00322 (180deg=-0.195) USER MOD Single : A 48 THR OG1 : rot -170:sc= 0.357 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 HIS : no HD1:sc= -0.0183 X(o=-0.018,f=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0.961 K(o=0.96,f=-0.59) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 68 GLN : amide:sc= -2.43! C(o=-2.4!,f=-3.7!) USER MOD Single : A 69 GLN : amide:sc= 0.969 K(o=0.97,f=0) USER MOD Single : A 71 GLN : amide:sc= 1.21 K(o=1.2,f=-0.0069) USER MOD Single : A 72 HIS : no HD1:sc= 1.12 K(o=1.1,f=-4.8!) USER MOD Single : A 76 CYS SG : rot 170:sc= -0.341 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0.325 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl 165:sc= -0.142 (180deg=-0.305) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= 0.182 K(o=0.18,f=-4.2!) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.246 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 23 5.863 15.233 13.009 1.00 0.00 N ATOM 2 CA GLN A 23 7.046 14.539 12.492 1.00 0.00 C ATOM 3 C GLN A 23 6.686 13.267 11.702 1.00 0.00 C ATOM 4 O GLN A 23 5.632 12.656 11.911 1.00 0.00 O ATOM 5 CB GLN A 23 8.017 14.208 13.644 1.00 0.00 C ATOM 6 CG GLN A 23 8.460 15.414 14.495 1.00 0.00 C ATOM 7 CD GLN A 23 9.170 16.500 13.685 1.00 0.00 C ATOM 8 OE1 GLN A 23 10.382 16.485 13.499 1.00 0.00 O ATOM 9 NE2 GLN A 23 8.456 17.477 13.164 1.00 0.00 N ATOM 0 HA GLN A 23 7.537 15.215 11.792 1.00 0.00 H new ATOM 0 HB2 GLN A 23 7.543 13.476 14.298 1.00 0.00 H new ATOM 0 HB3 GLN A 23 8.904 13.734 13.225 1.00 0.00 H new ATOM 0 HG2 GLN A 23 7.586 15.847 14.982 1.00 0.00 H new ATOM 0 HG3 GLN A 23 9.125 15.067 15.285 1.00 0.00 H new ATOM 0 HE21 GLN A 23 7.447 17.505 13.309 1.00 0.00 H new ATOM 0 HE22 GLN A 23 8.912 18.206 12.616 1.00 0.00 H new ATOM 18 N ILE A 24 7.579 12.872 10.789 1.00 0.00 N ATOM 19 CA ILE A 24 7.415 11.748 9.855 1.00 0.00 C ATOM 20 C ILE A 24 8.328 10.570 10.240 1.00 0.00 C ATOM 21 O ILE A 24 9.427 10.759 10.766 1.00 0.00 O ATOM 22 CB ILE A 24 7.669 12.243 8.408 1.00 0.00 C ATOM 23 CG1 ILE A 24 6.656 13.318 7.954 1.00 0.00 C ATOM 24 CG2 ILE A 24 7.612 11.065 7.422 1.00 0.00 C ATOM 25 CD1 ILE A 24 7.149 14.170 6.776 1.00 0.00 C ATOM 0 H ILE A 24 8.475 13.346 10.674 1.00 0.00 H new ATOM 0 HA ILE A 24 6.393 11.373 9.912 1.00 0.00 H new ATOM 0 HB ILE A 24 8.661 12.695 8.410 1.00 0.00 H new ATOM 0 HG12 ILE A 24 5.723 12.830 7.673 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.432 13.973 8.796 1.00 0.00 H new ATOM 0 HG21 ILE A 24 7.792 11.428 6.410 1.00 0.00 H new ATOM 0 HG22 ILE A 24 8.375 10.333 7.686 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.628 10.598 7.470 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.386 14.903 6.512 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.066 14.687 7.059 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.346 13.526 5.919 1.00 0.00 H new ATOM 37 N ASN A 25 7.882 9.344 9.936 1.00 0.00 N ATOM 38 CA ASN A 25 8.550 8.079 10.270 1.00 0.00 C ATOM 39 C ASN A 25 9.022 7.307 9.014 1.00 0.00 C ATOM 40 O ASN A 25 8.837 6.096 8.881 1.00 0.00 O ATOM 41 CB ASN A 25 7.610 7.268 11.176 1.00 0.00 C ATOM 42 CG ASN A 25 6.954 8.063 12.301 1.00 0.00 C ATOM 43 OD1 ASN A 25 5.741 8.064 12.462 1.00 0.00 O ATOM 44 ND2 ASN A 25 7.709 8.780 13.105 1.00 0.00 N ATOM 0 H ASN A 25 7.009 9.200 9.429 1.00 0.00 H new ATOM 0 HA ASN A 25 9.473 8.279 10.814 1.00 0.00 H new ATOM 0 HB2 ASN A 25 6.827 6.826 10.559 1.00 0.00 H new ATOM 0 HB3 ASN A 25 8.174 6.444 11.614 1.00 0.00 H new ATOM 0 HD21 ASN A 25 7.282 9.328 13.852 1.00 0.00 H new ATOM 0 HD22 ASN A 25 8.721 8.788 12.982 1.00 0.00 H new ATOM 51 N GLN A 26 9.590 8.052 8.065 1.00 0.00 N ATOM 52 CA GLN A 26 9.934 7.647 6.691 1.00 0.00 C ATOM 53 C GLN A 26 11.403 7.926 6.344 1.00 0.00 C ATOM 54 O GLN A 26 12.191 8.369 7.181 1.00 0.00 O ATOM 55 CB GLN A 26 8.971 8.255 5.672 1.00 0.00 C ATOM 56 CG GLN A 26 7.529 7.809 5.911 1.00 0.00 C ATOM 57 CD GLN A 26 7.283 6.291 5.911 1.00 0.00 C ATOM 58 OE1 GLN A 26 6.473 5.778 6.670 1.00 0.00 O ATOM 59 NE2 GLN A 26 7.928 5.508 5.062 1.00 0.00 N ATOM 0 H GLN A 26 9.842 9.024 8.244 1.00 0.00 H new ATOM 0 HA GLN A 26 9.816 6.565 6.641 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.028 9.342 5.723 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.278 7.967 4.666 1.00 0.00 H new ATOM 0 HG2 GLN A 26 7.200 8.210 6.870 1.00 0.00 H new ATOM 0 HG3 GLN A 26 6.899 8.259 5.144 1.00 0.00 H new ATOM 0 HE21 GLN A 26 8.610 5.907 4.417 1.00 0.00 H new ATOM 0 HE22 GLN A 26 7.744 4.505 5.053 1.00 0.00 H new ATOM 68 N VAL A 27 11.772 7.603 5.103 1.00 0.00 N ATOM 69 CA VAL A 27 13.170 7.557 4.630 1.00 0.00 C ATOM 70 C VAL A 27 13.624 8.731 3.756 1.00 0.00 C ATOM 71 O VAL A 27 12.817 9.473 3.197 1.00 0.00 O ATOM 72 CB VAL A 27 13.470 6.205 3.940 1.00 0.00 C ATOM 73 CG1 VAL A 27 13.202 5.024 4.881 1.00 0.00 C ATOM 74 CG2 VAL A 27 12.664 6.012 2.647 1.00 0.00 C ATOM 0 H VAL A 27 11.097 7.360 4.378 1.00 0.00 H new ATOM 0 HA VAL A 27 13.765 7.657 5.538 1.00 0.00 H new ATOM 0 HB VAL A 27 14.529 6.231 3.682 1.00 0.00 H new ATOM 0 HG11 VAL A 27 13.423 4.090 4.365 1.00 0.00 H new ATOM 0 HG12 VAL A 27 13.837 5.110 5.763 1.00 0.00 H new ATOM 0 HG13 VAL A 27 12.155 5.032 5.185 1.00 0.00 H new ATOM 0 HG21 VAL A 27 12.913 5.048 2.204 1.00 0.00 H new ATOM 0 HG22 VAL A 27 11.598 6.043 2.874 1.00 0.00 H new ATOM 0 HG23 VAL A 27 12.908 6.808 1.944 1.00 0.00 H new ATOM 84 N ARG A 28 14.952 8.896 3.669 1.00 0.00 N ATOM 85 CA ARG A 28 15.650 9.994 2.982 1.00 0.00 C ATOM 86 C ARG A 28 16.298 9.518 1.668 1.00 0.00 C ATOM 87 O ARG A 28 17.061 8.548 1.703 1.00 0.00 O ATOM 88 CB ARG A 28 16.667 10.596 3.972 1.00 0.00 C ATOM 89 CG ARG A 28 17.485 11.778 3.424 1.00 0.00 C ATOM 90 CD ARG A 28 18.292 12.415 4.563 1.00 0.00 C ATOM 91 NE ARG A 28 19.004 13.631 4.131 1.00 0.00 N ATOM 92 CZ ARG A 28 20.218 13.747 3.631 1.00 0.00 C ATOM 93 NH1 ARG A 28 20.977 12.728 3.342 1.00 0.00 N ATOM 94 NH2 ARG A 28 20.673 14.945 3.427 1.00 0.00 N ATOM 0 H ARG A 28 15.601 8.235 4.097 1.00 0.00 H new ATOM 0 HA ARG A 28 14.944 10.769 2.684 1.00 0.00 H new ATOM 0 HB2 ARG A 28 16.133 10.925 4.863 1.00 0.00 H new ATOM 0 HB3 ARG A 28 17.355 9.811 4.285 1.00 0.00 H new ATOM 0 HG2 ARG A 28 18.156 11.435 2.636 1.00 0.00 H new ATOM 0 HG3 ARG A 28 16.821 12.518 2.977 1.00 0.00 H new ATOM 0 HD2 ARG A 28 17.622 12.662 5.386 1.00 0.00 H new ATOM 0 HD3 ARG A 28 19.012 11.691 4.944 1.00 0.00 H new ATOM 0 HE ARG A 28 18.486 14.503 4.233 1.00 0.00 H new ATOM 0 HH11 ARG A 28 20.639 11.779 3.501 1.00 0.00 H new ATOM 0 HH12 ARG A 28 21.909 12.879 2.957 1.00 0.00 H new ATOM 0 HH21 ARG A 28 20.096 15.755 3.652 1.00 0.00 H new ATOM 0 HH22 ARG A 28 21.608 15.077 3.041 1.00 0.00 H new ATOM 108 N PRO A 29 16.029 10.173 0.520 1.00 0.00 N ATOM 109 CA PRO A 29 16.664 9.850 -0.759 1.00 0.00 C ATOM 110 C PRO A 29 18.114 10.364 -0.837 1.00 0.00 C ATOM 111 O PRO A 29 18.544 11.194 -0.031 1.00 0.00 O ATOM 112 CB PRO A 29 15.753 10.487 -1.809 1.00 0.00 C ATOM 113 CG PRO A 29 15.198 11.723 -1.106 1.00 0.00 C ATOM 114 CD PRO A 29 15.077 11.265 0.347 1.00 0.00 C ATOM 0 HA PRO A 29 16.762 8.775 -0.910 1.00 0.00 H new ATOM 0 HB2 PRO A 29 16.306 10.753 -2.710 1.00 0.00 H new ATOM 0 HB3 PRO A 29 14.956 9.808 -2.113 1.00 0.00 H new ATOM 0 HG2 PRO A 29 15.866 12.578 -1.205 1.00 0.00 H new ATOM 0 HG3 PRO A 29 14.234 12.022 -1.517 1.00 0.00 H new ATOM 0 HD2 PRO A 29 15.298 12.084 1.031 1.00 0.00 H new ATOM 0 HD3 PRO A 29 14.062 10.933 0.565 1.00 0.00 H new ATOM 122 N LYS A 30 18.874 9.881 -1.828 1.00 0.00 N ATOM 123 CA LYS A 30 20.279 10.265 -2.069 1.00 0.00 C ATOM 124 C LYS A 30 20.359 11.658 -2.710 1.00 0.00 C ATOM 125 O LYS A 30 19.411 12.129 -3.332 1.00 0.00 O ATOM 126 CB LYS A 30 20.973 9.148 -2.891 1.00 0.00 C ATOM 127 CG LYS A 30 22.368 8.697 -2.413 1.00 0.00 C ATOM 128 CD LYS A 30 23.541 9.576 -2.887 1.00 0.00 C ATOM 129 CE LYS A 30 24.907 8.890 -2.708 1.00 0.00 C ATOM 130 NZ LYS A 30 25.295 8.719 -1.278 1.00 0.00 N ATOM 0 H LYS A 30 18.526 9.198 -2.501 1.00 0.00 H new ATOM 0 HA LYS A 30 20.822 10.353 -1.128 1.00 0.00 H new ATOM 0 HB2 LYS A 30 20.319 8.276 -2.900 1.00 0.00 H new ATOM 0 HB3 LYS A 30 21.062 9.490 -3.922 1.00 0.00 H new ATOM 0 HG2 LYS A 30 22.371 8.673 -1.323 1.00 0.00 H new ATOM 0 HG3 LYS A 30 22.539 7.676 -2.755 1.00 0.00 H new ATOM 0 HD2 LYS A 30 23.400 9.827 -3.938 1.00 0.00 H new ATOM 0 HD3 LYS A 30 23.534 10.514 -2.332 1.00 0.00 H new ATOM 0 HE2 LYS A 30 24.882 7.913 -3.190 1.00 0.00 H new ATOM 0 HE3 LYS A 30 25.671 9.477 -3.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 26.223 8.252 -1.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 25.349 9.651 -0.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 24.584 8.135 -0.793 1.00 0.00 H new ATOM 144 N LEU A 31 21.516 12.300 -2.586 1.00 0.00 N ATOM 145 CA LEU A 31 21.801 13.705 -2.933 1.00 0.00 C ATOM 146 C LEU A 31 21.261 14.169 -4.306 1.00 0.00 C ATOM 147 O LEU A 31 20.500 15.137 -4.312 1.00 0.00 O ATOM 148 CB LEU A 31 23.321 13.928 -2.734 1.00 0.00 C ATOM 149 CG LEU A 31 23.885 15.360 -2.818 1.00 0.00 C ATOM 150 CD1 LEU A 31 23.996 15.902 -4.245 1.00 0.00 C ATOM 151 CD2 LEU A 31 23.096 16.351 -1.963 1.00 0.00 C ATOM 0 H LEU A 31 22.341 11.828 -2.216 1.00 0.00 H new ATOM 0 HA LEU A 31 21.240 14.356 -2.263 1.00 0.00 H new ATOM 0 HB2 LEU A 31 23.587 13.527 -1.756 1.00 0.00 H new ATOM 0 HB3 LEU A 31 23.842 13.325 -3.478 1.00 0.00 H new ATOM 0 HG LEU A 31 24.896 15.268 -2.420 1.00 0.00 H new ATOM 0 HD11 LEU A 31 24.401 16.914 -4.219 1.00 0.00 H new ATOM 0 HD12 LEU A 31 24.658 15.261 -4.827 1.00 0.00 H new ATOM 0 HD13 LEU A 31 23.008 15.918 -4.706 1.00 0.00 H new ATOM 0 HD21 LEU A 31 23.535 17.344 -2.058 1.00 0.00 H new ATOM 0 HD22 LEU A 31 22.060 16.378 -2.301 1.00 0.00 H new ATOM 0 HD23 LEU A 31 23.129 16.038 -0.919 1.00 0.00 H new ATOM 163 N PRO A 32 21.549 13.506 -5.451 1.00 0.00 N ATOM 164 CA PRO A 32 21.008 13.904 -6.763 1.00 0.00 C ATOM 165 C PRO A 32 19.491 13.883 -6.859 1.00 0.00 C ATOM 166 O PRO A 32 18.906 14.632 -7.640 1.00 0.00 O ATOM 167 CB PRO A 32 21.623 12.946 -7.789 1.00 0.00 C ATOM 168 CG PRO A 32 22.070 11.745 -6.958 1.00 0.00 C ATOM 169 CD PRO A 32 22.459 12.380 -5.628 1.00 0.00 C ATOM 0 HA PRO A 32 21.271 14.946 -6.944 1.00 0.00 H new ATOM 0 HB2 PRO A 32 20.897 12.657 -8.549 1.00 0.00 H new ATOM 0 HB3 PRO A 32 22.463 13.405 -8.309 1.00 0.00 H new ATOM 0 HG2 PRO A 32 21.269 11.015 -6.839 1.00 0.00 H new ATOM 0 HG3 PRO A 32 22.910 11.225 -7.419 1.00 0.00 H new ATOM 0 HD2 PRO A 32 22.363 11.666 -4.810 1.00 0.00 H new ATOM 0 HD3 PRO A 32 23.497 12.713 -5.641 1.00 0.00 H new ATOM 177 N LEU A 33 18.851 13.047 -6.049 1.00 0.00 N ATOM 178 CA LEU A 33 17.409 12.939 -5.999 1.00 0.00 C ATOM 179 C LEU A 33 16.821 13.984 -5.046 1.00 0.00 C ATOM 180 O LEU A 33 15.947 14.752 -5.441 1.00 0.00 O ATOM 181 CB LEU A 33 17.100 11.476 -5.661 1.00 0.00 C ATOM 182 CG LEU A 33 15.722 11.082 -6.163 1.00 0.00 C ATOM 183 CD1 LEU A 33 15.503 9.581 -6.178 1.00 0.00 C ATOM 184 CD2 LEU A 33 14.555 11.660 -5.357 1.00 0.00 C ATOM 0 H LEU A 33 19.331 12.420 -5.403 1.00 0.00 H new ATOM 0 HA LEU A 33 16.926 13.171 -6.948 1.00 0.00 H new ATOM 0 HB2 LEU A 33 17.853 10.828 -6.109 1.00 0.00 H new ATOM 0 HB3 LEU A 33 17.154 11.329 -4.582 1.00 0.00 H new ATOM 0 HG LEU A 33 15.721 11.501 -7.169 1.00 0.00 H new ATOM 0 HD11 LEU A 33 14.500 9.363 -6.546 1.00 0.00 H new ATOM 0 HD12 LEU A 33 16.239 9.112 -6.831 1.00 0.00 H new ATOM 0 HD13 LEU A 33 15.612 9.187 -5.167 1.00 0.00 H new ATOM 0 HD21 LEU A 33 13.612 11.324 -5.790 1.00 0.00 H new ATOM 0 HD22 LEU A 33 14.622 11.319 -4.324 1.00 0.00 H new ATOM 0 HD23 LEU A 33 14.599 12.749 -5.383 1.00 0.00 H new ATOM 196 N LEU A 34 17.373 14.106 -3.836 1.00 0.00 N ATOM 197 CA LEU A 34 16.997 15.140 -2.866 1.00 0.00 C ATOM 198 C LEU A 34 17.097 16.554 -3.466 1.00 0.00 C ATOM 199 O LEU A 34 16.231 17.385 -3.203 1.00 0.00 O ATOM 200 CB LEU A 34 17.892 14.973 -1.622 1.00 0.00 C ATOM 201 CG LEU A 34 17.516 15.872 -0.428 1.00 0.00 C ATOM 202 CD1 LEU A 34 16.111 15.570 0.104 1.00 0.00 C ATOM 203 CD2 LEU A 34 18.506 15.630 0.711 1.00 0.00 C ATOM 0 H LEU A 34 18.104 13.481 -3.497 1.00 0.00 H new ATOM 0 HA LEU A 34 15.951 15.018 -2.583 1.00 0.00 H new ATOM 0 HB2 LEU A 34 17.853 13.932 -1.301 1.00 0.00 H new ATOM 0 HB3 LEU A 34 18.924 15.181 -1.904 1.00 0.00 H new ATOM 0 HG LEU A 34 17.544 16.904 -0.777 1.00 0.00 H new ATOM 0 HD11 LEU A 34 15.891 16.228 0.945 1.00 0.00 H new ATOM 0 HD12 LEU A 34 15.379 15.735 -0.687 1.00 0.00 H new ATOM 0 HD13 LEU A 34 16.062 14.532 0.433 1.00 0.00 H new ATOM 0 HD21 LEU A 34 18.246 16.263 1.560 1.00 0.00 H new ATOM 0 HD22 LEU A 34 18.465 14.583 1.013 1.00 0.00 H new ATOM 0 HD23 LEU A 34 19.514 15.871 0.374 1.00 0.00 H new ATOM 215 N LYS A 35 18.073 16.812 -4.349 1.00 0.00 N ATOM 216 CA LYS A 35 18.199 18.071 -5.085 1.00 0.00 C ATOM 217 C LYS A 35 16.987 18.418 -5.950 1.00 0.00 C ATOM 218 O LYS A 35 16.602 19.576 -5.945 1.00 0.00 O ATOM 219 CB LYS A 35 19.506 18.056 -5.908 1.00 0.00 C ATOM 220 CG LYS A 35 20.141 19.451 -5.957 1.00 0.00 C ATOM 221 CD LYS A 35 20.754 19.853 -4.602 1.00 0.00 C ATOM 222 CE LYS A 35 22.172 19.298 -4.408 1.00 0.00 C ATOM 223 NZ LYS A 35 22.875 19.985 -3.286 1.00 0.00 N ATOM 0 H LYS A 35 18.806 16.139 -4.573 1.00 0.00 H new ATOM 0 HA LYS A 35 18.240 18.870 -4.345 1.00 0.00 H new ATOM 0 HB2 LYS A 35 20.209 17.348 -5.468 1.00 0.00 H new ATOM 0 HB3 LYS A 35 19.298 17.711 -6.921 1.00 0.00 H new ATOM 0 HG2 LYS A 35 20.914 19.471 -6.725 1.00 0.00 H new ATOM 0 HG3 LYS A 35 19.387 20.183 -6.245 1.00 0.00 H new ATOM 0 HD2 LYS A 35 20.780 20.940 -4.527 1.00 0.00 H new ATOM 0 HD3 LYS A 35 20.114 19.493 -3.797 1.00 0.00 H new ATOM 0 HE2 LYS A 35 22.121 18.228 -4.207 1.00 0.00 H new ATOM 0 HE3 LYS A 35 22.743 19.423 -5.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 23.830 19.588 -3.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 22.944 21.002 -3.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 22.342 19.844 -2.404 1.00 0.00 H new ATOM 237 N ILE A 36 16.330 17.458 -6.607 1.00 0.00 N ATOM 238 CA ILE A 36 15.078 17.694 -7.366 1.00 0.00 C ATOM 239 C ILE A 36 13.976 18.187 -6.407 1.00 0.00 C ATOM 240 O ILE A 36 13.327 19.202 -6.644 1.00 0.00 O ATOM 241 CB ILE A 36 14.607 16.399 -8.050 1.00 0.00 C ATOM 242 CG1 ILE A 36 15.714 15.808 -8.930 1.00 0.00 C ATOM 243 CG2 ILE A 36 13.325 16.633 -8.862 1.00 0.00 C ATOM 244 CD1 ILE A 36 16.410 16.768 -9.890 1.00 0.00 C ATOM 0 H ILE A 36 16.645 16.488 -6.633 1.00 0.00 H new ATOM 0 HA ILE A 36 15.274 18.448 -8.129 1.00 0.00 H new ATOM 0 HB ILE A 36 14.377 15.676 -7.268 1.00 0.00 H new ATOM 0 HG12 ILE A 36 16.470 15.370 -8.278 1.00 0.00 H new ATOM 0 HG13 ILE A 36 15.286 14.993 -9.514 1.00 0.00 H new ATOM 0 HG21 ILE A 36 13.017 15.700 -9.333 1.00 0.00 H new ATOM 0 HG22 ILE A 36 12.533 16.983 -8.199 1.00 0.00 H new ATOM 0 HG23 ILE A 36 13.513 17.383 -9.631 1.00 0.00 H new ATOM 0 HD11 ILE A 36 17.171 16.230 -10.455 1.00 0.00 H new ATOM 0 HD12 ILE A 36 15.677 17.189 -10.578 1.00 0.00 H new ATOM 0 HD13 ILE A 36 16.880 17.572 -9.324 1.00 0.00 H new ATOM 256 N LEU A 37 13.795 17.476 -5.286 1.00 0.00 N ATOM 257 CA LEU A 37 12.762 17.713 -4.270 1.00 0.00 C ATOM 258 C LEU A 37 12.947 19.088 -3.617 1.00 0.00 C ATOM 259 O LEU A 37 12.001 19.858 -3.476 1.00 0.00 O ATOM 260 CB LEU A 37 12.855 16.582 -3.215 1.00 0.00 C ATOM 261 CG LEU A 37 12.277 15.212 -3.603 1.00 0.00 C ATOM 262 CD1 LEU A 37 12.435 14.773 -5.053 1.00 0.00 C ATOM 263 CD2 LEU A 37 12.875 14.125 -2.715 1.00 0.00 C ATOM 0 H LEU A 37 14.393 16.683 -5.052 1.00 0.00 H new ATOM 0 HA LEU A 37 11.775 17.707 -4.733 1.00 0.00 H new ATOM 0 HB2 LEU A 37 13.905 16.445 -2.958 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.347 16.920 -2.312 1.00 0.00 H new ATOM 0 HG LEU A 37 11.205 15.346 -3.459 1.00 0.00 H new ATOM 0 HD11 LEU A 37 11.983 13.790 -5.187 1.00 0.00 H new ATOM 0 HD12 LEU A 37 11.941 15.492 -5.707 1.00 0.00 H new ATOM 0 HD13 LEU A 37 13.494 14.722 -5.304 1.00 0.00 H new ATOM 0 HD21 LEU A 37 12.461 13.157 -2.996 1.00 0.00 H new ATOM 0 HD22 LEU A 37 13.958 14.107 -2.841 1.00 0.00 H new ATOM 0 HD23 LEU A 37 12.635 14.334 -1.673 1.00 0.00 H new ATOM 275 N HIS A 38 14.187 19.425 -3.268 1.00 0.00 N ATOM 276 CA HIS A 38 14.561 20.708 -2.672 1.00 0.00 C ATOM 277 C HIS A 38 14.495 21.852 -3.688 1.00 0.00 C ATOM 278 O HIS A 38 13.923 22.894 -3.372 1.00 0.00 O ATOM 279 CB HIS A 38 15.936 20.538 -2.007 1.00 0.00 C ATOM 280 CG HIS A 38 15.867 19.870 -0.644 1.00 0.00 C ATOM 281 ND1 HIS A 38 16.858 19.930 0.342 1.00 0.00 N ATOM 282 CD2 HIS A 38 14.792 19.196 -0.134 1.00 0.00 C ATOM 283 CE1 HIS A 38 16.353 19.295 1.416 1.00 0.00 C ATOM 284 NE2 HIS A 38 15.109 18.851 1.162 1.00 0.00 N ATOM 0 H HIS A 38 14.981 18.797 -3.395 1.00 0.00 H new ATOM 0 HA HIS A 38 13.844 20.997 -1.904 1.00 0.00 H new ATOM 0 HB2 HIS A 38 16.577 19.947 -2.661 1.00 0.00 H new ATOM 0 HB3 HIS A 38 16.404 21.517 -1.901 1.00 0.00 H new ATOM 0 HD2 HIS A 38 13.869 18.976 -0.650 1.00 0.00 H new ATOM 0 HE1 HIS A 38 16.874 19.161 2.352 1.00 0.00 H new ATOM 0 HE2 HIS A 38 14.507 18.348 1.814 1.00 0.00 H new ATOM 292 N ALA A 39 14.919 21.626 -4.937 1.00 0.00 N ATOM 293 CA ALA A 39 14.750 22.556 -6.054 1.00 0.00 C ATOM 294 C ALA A 39 13.268 22.868 -6.329 1.00 0.00 C ATOM 295 O ALA A 39 12.941 23.961 -6.797 1.00 0.00 O ATOM 296 CB ALA A 39 15.447 21.964 -7.287 1.00 0.00 C ATOM 0 H ALA A 39 15.402 20.768 -5.203 1.00 0.00 H new ATOM 0 HA ALA A 39 15.209 23.511 -5.799 1.00 0.00 H new ATOM 0 HB1 ALA A 39 15.332 22.644 -8.131 1.00 0.00 H new ATOM 0 HB2 ALA A 39 16.507 21.826 -7.074 1.00 0.00 H new ATOM 0 HB3 ALA A 39 14.998 21.002 -7.532 1.00 0.00 H new ATOM 302 N ALA A 40 12.371 21.939 -5.981 1.00 0.00 N ATOM 303 CA ALA A 40 10.933 22.157 -6.000 1.00 0.00 C ATOM 304 C ALA A 40 10.378 22.851 -4.738 1.00 0.00 C ATOM 305 O ALA A 40 9.301 23.443 -4.815 1.00 0.00 O ATOM 306 CB ALA A 40 10.238 20.811 -6.221 1.00 0.00 C ATOM 0 H ALA A 40 12.635 21.003 -5.675 1.00 0.00 H new ATOM 0 HA ALA A 40 10.725 22.847 -6.817 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.158 20.958 -6.238 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.561 20.386 -7.171 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.499 20.129 -5.411 1.00 0.00 H new ATOM 312 N GLY A 41 11.061 22.762 -3.587 1.00 0.00 N ATOM 313 CA GLY A 41 10.560 23.200 -2.278 1.00 0.00 C ATOM 314 C GLY A 41 9.819 22.088 -1.520 1.00 0.00 C ATOM 315 O GLY A 41 8.586 22.082 -1.462 1.00 0.00 O ATOM 0 H GLY A 41 12.003 22.373 -3.541 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.396 23.550 -1.673 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.889 24.048 -2.416 1.00 0.00 H new ATOM 319 N ALA A 42 10.574 21.148 -0.939 1.00 0.00 N ATOM 320 CA ALA A 42 10.058 20.068 -0.088 1.00 0.00 C ATOM 321 C ALA A 42 9.779 20.520 1.362 1.00 0.00 C ATOM 322 O ALA A 42 10.248 21.574 1.804 1.00 0.00 O ATOM 323 CB ALA A 42 11.033 18.888 -0.137 1.00 0.00 C ATOM 0 H ALA A 42 11.587 21.116 -1.050 1.00 0.00 H new ATOM 0 HA ALA A 42 9.089 19.759 -0.481 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.659 18.080 0.492 1.00 0.00 H new ATOM 0 HB2 ALA A 42 11.126 18.535 -1.164 1.00 0.00 H new ATOM 0 HB3 ALA A 42 12.010 19.208 0.226 1.00 0.00 H new ATOM 329 N GLN A 43 9.051 19.690 2.120 1.00 0.00 N ATOM 330 CA GLN A 43 8.640 19.953 3.511 1.00 0.00 C ATOM 331 C GLN A 43 9.471 19.165 4.550 1.00 0.00 C ATOM 332 O GLN A 43 9.003 18.860 5.649 1.00 0.00 O ATOM 333 CB GLN A 43 7.114 19.749 3.616 1.00 0.00 C ATOM 334 CG GLN A 43 6.436 20.528 4.757 1.00 0.00 C ATOM 335 CD GLN A 43 6.571 22.047 4.618 1.00 0.00 C ATOM 336 OE1 GLN A 43 6.192 22.650 3.620 1.00 0.00 O ATOM 337 NE2 GLN A 43 7.118 22.731 5.603 1.00 0.00 N ATOM 0 H GLN A 43 8.720 18.789 1.775 1.00 0.00 H new ATOM 0 HA GLN A 43 8.858 20.989 3.768 1.00 0.00 H new ATOM 0 HB2 GLN A 43 6.656 20.044 2.672 1.00 0.00 H new ATOM 0 HB3 GLN A 43 6.912 18.686 3.750 1.00 0.00 H new ATOM 0 HG2 GLN A 43 5.378 20.266 4.788 1.00 0.00 H new ATOM 0 HG3 GLN A 43 6.870 20.217 5.707 1.00 0.00 H new ATOM 0 HE21 GLN A 43 7.440 22.248 6.442 1.00 0.00 H new ATOM 0 HE22 GLN A 43 7.219 23.743 5.526 1.00 0.00 H new ATOM 346 N GLY A 44 10.711 18.810 4.195 1.00 0.00 N ATOM 347 CA GLY A 44 11.622 18.011 5.025 1.00 0.00 C ATOM 348 C GLY A 44 12.714 17.284 4.234 1.00 0.00 C ATOM 349 O GLY A 44 13.082 17.686 3.127 1.00 0.00 O ATOM 0 H GLY A 44 11.120 19.077 3.300 1.00 0.00 H new ATOM 0 HA2 GLY A 44 12.094 18.664 5.759 1.00 0.00 H new ATOM 0 HA3 GLY A 44 11.040 17.275 5.580 1.00 0.00 H new ATOM 353 N GLU A 45 13.219 16.194 4.819 1.00 0.00 N ATOM 354 CA GLU A 45 14.176 15.260 4.196 1.00 0.00 C ATOM 355 C GLU A 45 13.761 13.774 4.317 1.00 0.00 C ATOM 356 O GLU A 45 14.393 12.919 3.703 1.00 0.00 O ATOM 357 CB GLU A 45 15.577 15.486 4.792 1.00 0.00 C ATOM 358 CG GLU A 45 16.171 16.853 4.428 1.00 0.00 C ATOM 359 CD GLU A 45 17.593 17.004 4.998 1.00 0.00 C ATOM 360 OE1 GLU A 45 18.539 16.410 4.425 1.00 0.00 O ATOM 361 OE2 GLU A 45 17.776 17.713 6.018 1.00 0.00 O ATOM 0 H GLU A 45 12.968 15.924 5.770 1.00 0.00 H new ATOM 0 HA GLU A 45 14.184 15.477 3.128 1.00 0.00 H new ATOM 0 HB2 GLU A 45 15.523 15.397 5.877 1.00 0.00 H new ATOM 0 HB3 GLU A 45 16.246 14.700 4.441 1.00 0.00 H new ATOM 0 HG2 GLU A 45 16.196 16.966 3.344 1.00 0.00 H new ATOM 0 HG3 GLU A 45 15.533 17.646 4.817 1.00 0.00 H new ATOM 368 N MET A 46 12.705 13.452 5.076 1.00 0.00 N ATOM 369 CA MET A 46 12.218 12.086 5.350 1.00 0.00 C ATOM 370 C MET A 46 10.754 11.968 4.894 1.00 0.00 C ATOM 371 O MET A 46 9.877 12.593 5.490 1.00 0.00 O ATOM 372 CB MET A 46 12.327 11.783 6.856 1.00 0.00 C ATOM 373 CG MET A 46 13.754 11.471 7.333 1.00 0.00 C ATOM 374 SD MET A 46 14.922 12.860 7.452 1.00 0.00 S ATOM 375 CE MET A 46 14.152 13.839 8.774 1.00 0.00 C ATOM 0 H MET A 46 12.140 14.165 5.538 1.00 0.00 H new ATOM 0 HA MET A 46 12.827 11.366 4.803 1.00 0.00 H new ATOM 0 HB2 MET A 46 11.947 12.638 7.416 1.00 0.00 H new ATOM 0 HB3 MET A 46 11.683 10.936 7.092 1.00 0.00 H new ATOM 0 HG2 MET A 46 13.686 11.004 8.315 1.00 0.00 H new ATOM 0 HG3 MET A 46 14.180 10.730 6.657 1.00 0.00 H new ATOM 0 HE1 MET A 46 14.849 14.606 9.112 1.00 0.00 H new ATOM 0 HE2 MET A 46 13.247 14.313 8.395 1.00 0.00 H new ATOM 0 HE3 MET A 46 13.897 13.186 9.609 1.00 0.00 H new ATOM 385 N PHE A 47 10.484 11.179 3.849 1.00 0.00 N ATOM 386 CA PHE A 47 9.151 11.055 3.223 1.00 0.00 C ATOM 387 C PHE A 47 8.915 9.670 2.578 1.00 0.00 C ATOM 388 O PHE A 47 9.857 8.916 2.329 1.00 0.00 O ATOM 389 CB PHE A 47 8.922 12.165 2.172 1.00 0.00 C ATOM 390 CG PHE A 47 10.014 13.195 1.965 1.00 0.00 C ATOM 391 CD1 PHE A 47 11.273 12.784 1.498 1.00 0.00 C ATOM 392 CD2 PHE A 47 9.765 14.559 2.200 1.00 0.00 C ATOM 393 CE1 PHE A 47 12.280 13.729 1.264 1.00 0.00 C ATOM 394 CE2 PHE A 47 10.758 15.513 1.917 1.00 0.00 C ATOM 395 CZ PHE A 47 12.016 15.098 1.443 1.00 0.00 C ATOM 0 H PHE A 47 11.193 10.597 3.403 1.00 0.00 H new ATOM 0 HA PHE A 47 8.429 11.168 4.032 1.00 0.00 H new ATOM 0 HB2 PHE A 47 8.735 11.681 1.213 1.00 0.00 H new ATOM 0 HB3 PHE A 47 8.010 12.697 2.444 1.00 0.00 H new ATOM 0 HD1 PHE A 47 11.465 11.736 1.319 1.00 0.00 H new ATOM 0 HD2 PHE A 47 8.811 14.873 2.598 1.00 0.00 H new ATOM 0 HE1 PHE A 47 13.260 13.406 0.946 1.00 0.00 H new ATOM 0 HE2 PHE A 47 10.555 16.564 2.063 1.00 0.00 H new ATOM 0 HZ PHE A 47 12.777 15.830 1.217 1.00 0.00 H new ATOM 405 N THR A 48 7.657 9.324 2.285 1.00 0.00 N ATOM 406 CA THR A 48 7.277 8.132 1.486 1.00 0.00 C ATOM 407 C THR A 48 7.596 8.309 -0.005 1.00 0.00 C ATOM 408 O THR A 48 7.755 9.429 -0.471 1.00 0.00 O ATOM 409 CB THR A 48 5.770 7.834 1.645 1.00 0.00 C ATOM 410 OG1 THR A 48 5.051 8.982 1.281 1.00 0.00 O ATOM 411 CG2 THR A 48 5.411 7.477 3.081 1.00 0.00 C ATOM 0 H THR A 48 6.853 9.868 2.598 1.00 0.00 H new ATOM 0 HA THR A 48 7.866 7.297 1.866 1.00 0.00 H new ATOM 0 HB THR A 48 5.521 6.984 1.010 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.108 8.868 1.524 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.342 7.275 3.149 1.00 0.00 H new ATOM 0 HG22 THR A 48 5.968 6.591 3.386 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.665 8.309 3.737 1.00 0.00 H new ATOM 419 N VAL A 49 7.613 7.214 -0.783 1.00 0.00 N ATOM 420 CA VAL A 49 7.674 7.167 -2.268 1.00 0.00 C ATOM 421 C VAL A 49 6.615 8.112 -2.864 1.00 0.00 C ATOM 422 O VAL A 49 6.892 8.931 -3.741 1.00 0.00 O ATOM 423 CB VAL A 49 7.463 5.713 -2.756 1.00 0.00 C ATOM 424 CG1 VAL A 49 7.284 5.590 -4.273 1.00 0.00 C ATOM 425 CG2 VAL A 49 8.673 4.848 -2.373 1.00 0.00 C ATOM 0 H VAL A 49 7.583 6.279 -0.376 1.00 0.00 H new ATOM 0 HA VAL A 49 8.656 7.500 -2.604 1.00 0.00 H new ATOM 0 HB VAL A 49 6.546 5.377 -2.273 1.00 0.00 H new ATOM 0 HG11 VAL A 49 7.141 4.543 -4.539 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.412 6.165 -4.584 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.171 5.975 -4.776 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.515 3.827 -2.721 1.00 0.00 H new ATOM 0 HG22 VAL A 49 9.572 5.254 -2.837 1.00 0.00 H new ATOM 0 HG23 VAL A 49 8.792 4.848 -1.290 1.00 0.00 H new ATOM 435 N LYS A 50 5.416 8.044 -2.279 1.00 0.00 N ATOM 436 CA LYS A 50 4.254 8.903 -2.522 1.00 0.00 C ATOM 437 C LYS A 50 4.547 10.393 -2.293 1.00 0.00 C ATOM 438 O LYS A 50 4.272 11.217 -3.164 1.00 0.00 O ATOM 439 CB LYS A 50 3.155 8.358 -1.591 1.00 0.00 C ATOM 440 CG LYS A 50 1.880 9.193 -1.396 1.00 0.00 C ATOM 441 CD LYS A 50 1.263 8.911 -0.013 1.00 0.00 C ATOM 442 CE LYS A 50 1.007 7.416 0.246 1.00 0.00 C ATOM 443 NZ LYS A 50 0.226 7.203 1.497 1.00 0.00 N ATOM 0 H LYS A 50 5.218 7.336 -1.572 1.00 0.00 H new ATOM 0 HA LYS A 50 3.947 8.869 -3.567 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.856 7.380 -1.968 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.601 8.199 -0.609 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.114 10.254 -1.488 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.159 8.957 -2.179 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.928 9.298 0.759 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.322 9.454 0.075 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.467 6.987 -0.598 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.959 6.890 0.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.072 6.185 1.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.753 7.591 2.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.692 7.685 1.419 1.00 0.00 H new ATOM 457 N GLU A 51 5.129 10.746 -1.149 1.00 0.00 N ATOM 458 CA GLU A 51 5.492 12.132 -0.830 1.00 0.00 C ATOM 459 C GLU A 51 6.670 12.638 -1.678 1.00 0.00 C ATOM 460 O GLU A 51 6.608 13.759 -2.177 1.00 0.00 O ATOM 461 CB GLU A 51 5.812 12.257 0.663 1.00 0.00 C ATOM 462 CG GLU A 51 4.562 12.202 1.548 1.00 0.00 C ATOM 463 CD GLU A 51 4.934 12.190 3.047 1.00 0.00 C ATOM 464 OE1 GLU A 51 5.727 11.319 3.485 1.00 0.00 O ATOM 465 OE2 GLU A 51 4.413 13.053 3.799 1.00 0.00 O ATOM 0 H GLU A 51 5.364 10.080 -0.413 1.00 0.00 H new ATOM 0 HA GLU A 51 4.635 12.760 -1.072 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.491 11.455 0.952 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.335 13.197 0.840 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.926 13.061 1.336 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.983 11.310 1.308 1.00 0.00 H new ATOM 472 N VAL A 52 7.709 11.827 -1.926 1.00 0.00 N ATOM 473 CA VAL A 52 8.832 12.233 -2.783 1.00 0.00 C ATOM 474 C VAL A 52 8.386 12.546 -4.206 1.00 0.00 C ATOM 475 O VAL A 52 8.687 13.615 -4.734 1.00 0.00 O ATOM 476 CB VAL A 52 10.009 11.245 -2.793 1.00 0.00 C ATOM 477 CG1 VAL A 52 10.734 11.236 -1.446 1.00 0.00 C ATOM 478 CG2 VAL A 52 9.763 9.809 -3.197 1.00 0.00 C ATOM 0 H VAL A 52 7.795 10.885 -1.544 1.00 0.00 H new ATOM 0 HA VAL A 52 9.205 13.149 -2.325 1.00 0.00 H new ATOM 0 HB VAL A 52 10.606 11.656 -3.607 1.00 0.00 H new ATOM 0 HG11 VAL A 52 11.562 10.528 -1.483 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.119 12.233 -1.233 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.039 10.940 -0.660 1.00 0.00 H new ATOM 0 HG21 VAL A 52 10.699 9.252 -3.149 1.00 0.00 H new ATOM 0 HG22 VAL A 52 9.038 9.359 -2.519 1.00 0.00 H new ATOM 0 HG23 VAL A 52 9.375 9.779 -4.215 1.00 0.00 H new ATOM 488 N MET A 53 7.609 11.650 -4.809 1.00 0.00 N ATOM 489 CA MET A 53 7.050 11.856 -6.151 1.00 0.00 C ATOM 490 C MET A 53 6.044 13.022 -6.248 1.00 0.00 C ATOM 491 O MET A 53 5.878 13.580 -7.331 1.00 0.00 O ATOM 492 CB MET A 53 6.551 10.548 -6.778 1.00 0.00 C ATOM 493 CG MET A 53 5.168 10.109 -6.285 1.00 0.00 C ATOM 494 SD MET A 53 4.589 8.532 -6.968 1.00 0.00 S ATOM 495 CE MET A 53 4.413 8.989 -8.714 1.00 0.00 C ATOM 0 H MET A 53 7.347 10.760 -4.385 1.00 0.00 H new ATOM 0 HA MET A 53 7.884 12.188 -6.769 1.00 0.00 H new ATOM 0 HB2 MET A 53 6.519 10.665 -7.861 1.00 0.00 H new ATOM 0 HB3 MET A 53 7.270 9.757 -6.564 1.00 0.00 H new ATOM 0 HG2 MET A 53 5.192 10.032 -5.198 1.00 0.00 H new ATOM 0 HG3 MET A 53 4.445 10.885 -6.534 1.00 0.00 H new ATOM 0 HE1 MET A 53 3.851 8.215 -9.238 1.00 0.00 H new ATOM 0 HE2 MET A 53 3.882 9.938 -8.790 1.00 0.00 H new ATOM 0 HE3 MET A 53 5.400 9.089 -9.165 1.00 0.00 H new ATOM 505 N HIS A 54 5.389 13.442 -5.158 1.00 0.00 N ATOM 506 CA HIS A 54 4.597 14.686 -5.171 1.00 0.00 C ATOM 507 C HIS A 54 5.476 15.899 -5.519 1.00 0.00 C ATOM 508 O HIS A 54 5.086 16.743 -6.330 1.00 0.00 O ATOM 509 CB HIS A 54 3.897 14.893 -3.821 1.00 0.00 C ATOM 510 CG HIS A 54 3.079 16.161 -3.768 1.00 0.00 C ATOM 511 ND1 HIS A 54 1.785 16.323 -4.274 1.00 0.00 N ATOM 512 CD2 HIS A 54 3.506 17.353 -3.255 1.00 0.00 C ATOM 513 CE1 HIS A 54 1.465 17.611 -4.053 1.00 0.00 C ATOM 514 NE2 HIS A 54 2.479 18.251 -3.444 1.00 0.00 N ATOM 0 H HIS A 54 5.389 12.949 -4.265 1.00 0.00 H new ATOM 0 HA HIS A 54 3.835 14.592 -5.945 1.00 0.00 H new ATOM 0 HB2 HIS A 54 3.248 14.040 -3.620 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.646 14.917 -3.030 1.00 0.00 H new ATOM 0 HD2 HIS A 54 4.461 17.552 -2.792 1.00 0.00 H new ATOM 0 HE1 HIS A 54 0.525 18.067 -4.326 1.00 0.00 H new ATOM 0 HE2 HIS A 54 2.486 19.233 -3.169 1.00 0.00 H new ATOM 522 N TYR A 55 6.704 15.941 -4.987 1.00 0.00 N ATOM 523 CA TYR A 55 7.675 16.979 -5.339 1.00 0.00 C ATOM 524 C TYR A 55 8.192 16.849 -6.777 1.00 0.00 C ATOM 525 O TYR A 55 8.475 17.878 -7.378 1.00 0.00 O ATOM 526 CB TYR A 55 8.832 17.030 -4.336 1.00 0.00 C ATOM 527 CG TYR A 55 8.396 17.135 -2.887 1.00 0.00 C ATOM 528 CD1 TYR A 55 7.614 18.223 -2.455 1.00 0.00 C ATOM 529 CD2 TYR A 55 8.737 16.120 -1.978 1.00 0.00 C ATOM 530 CE1 TYR A 55 7.119 18.264 -1.137 1.00 0.00 C ATOM 531 CE2 TYR A 55 8.283 16.176 -0.650 1.00 0.00 C ATOM 532 CZ TYR A 55 7.455 17.236 -0.228 1.00 0.00 C ATOM 533 OH TYR A 55 7.001 17.272 1.055 1.00 0.00 O ATOM 0 H TYR A 55 7.048 15.263 -4.307 1.00 0.00 H new ATOM 0 HA TYR A 55 7.140 17.927 -5.286 1.00 0.00 H new ATOM 0 HB2 TYR A 55 9.442 16.134 -4.456 1.00 0.00 H new ATOM 0 HB3 TYR A 55 9.468 17.883 -4.575 1.00 0.00 H new ATOM 0 HD1 TYR A 55 7.393 19.030 -3.138 1.00 0.00 H new ATOM 0 HD2 TYR A 55 9.351 15.293 -2.302 1.00 0.00 H new ATOM 0 HE1 TYR A 55 6.484 19.079 -0.822 1.00 0.00 H new ATOM 0 HE2 TYR A 55 8.569 15.405 0.050 1.00 0.00 H new ATOM 0 HH TYR A 55 7.328 16.485 1.540 1.00 0.00 H new ATOM 543 N LEU A 56 8.258 15.650 -7.380 1.00 0.00 N ATOM 544 CA LEU A 56 8.530 15.510 -8.821 1.00 0.00 C ATOM 545 C LEU A 56 7.433 16.193 -9.648 1.00 0.00 C ATOM 546 O LEU A 56 7.740 16.973 -10.547 1.00 0.00 O ATOM 547 CB LEU A 56 8.604 14.024 -9.217 1.00 0.00 C ATOM 548 CG LEU A 56 9.919 13.276 -8.978 1.00 0.00 C ATOM 549 CD1 LEU A 56 10.872 13.514 -10.140 1.00 0.00 C ATOM 550 CD2 LEU A 56 10.666 13.641 -7.701 1.00 0.00 C ATOM 0 H LEU A 56 8.127 14.764 -6.892 1.00 0.00 H new ATOM 0 HA LEU A 56 9.488 15.988 -9.026 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.818 13.496 -8.677 1.00 0.00 H new ATOM 0 HB3 LEU A 56 8.367 13.950 -10.278 1.00 0.00 H new ATOM 0 HG LEU A 56 9.615 12.234 -8.882 1.00 0.00 H new ATOM 0 HD11 LEU A 56 11.804 12.978 -9.961 1.00 0.00 H new ATOM 0 HD12 LEU A 56 10.418 13.154 -11.063 1.00 0.00 H new ATOM 0 HD13 LEU A 56 11.078 14.581 -10.229 1.00 0.00 H new ATOM 0 HD21 LEU A 56 11.581 13.052 -7.634 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.917 14.701 -7.717 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.035 13.431 -6.838 1.00 0.00 H new ATOM 562 N GLY A 57 6.163 15.953 -9.314 1.00 0.00 N ATOM 563 CA GLY A 57 5.035 16.579 -10.005 1.00 0.00 C ATOM 564 C GLY A 57 5.068 18.106 -9.913 1.00 0.00 C ATOM 565 O GLY A 57 5.035 18.792 -10.938 1.00 0.00 O ATOM 0 H GLY A 57 5.889 15.322 -8.561 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.044 16.281 -11.053 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.102 16.212 -9.577 1.00 0.00 H new ATOM 569 N GLN A 58 5.287 18.652 -8.709 1.00 0.00 N ATOM 570 CA GLN A 58 5.405 20.104 -8.536 1.00 0.00 C ATOM 571 C GLN A 58 6.682 20.667 -9.184 1.00 0.00 C ATOM 572 O GLN A 58 6.637 21.769 -9.724 1.00 0.00 O ATOM 573 CB GLN A 58 5.234 20.507 -7.057 1.00 0.00 C ATOM 574 CG GLN A 58 6.546 20.760 -6.294 1.00 0.00 C ATOM 575 CD GLN A 58 6.334 20.976 -4.790 1.00 0.00 C ATOM 576 OE1 GLN A 58 5.425 20.446 -4.166 1.00 0.00 O ATOM 577 NE2 GLN A 58 7.194 21.725 -4.135 1.00 0.00 N ATOM 0 H GLN A 58 5.385 18.114 -7.848 1.00 0.00 H new ATOM 0 HA GLN A 58 4.582 20.571 -9.077 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.625 21.410 -7.011 1.00 0.00 H new ATOM 0 HB3 GLN A 58 4.679 19.721 -6.544 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.215 19.913 -6.443 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.041 21.635 -6.715 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.960 22.177 -4.634 1.00 0.00 H new ATOM 0 HE22 GLN A 58 7.095 21.854 -3.128 1.00 0.00 H new ATOM 586 N TYR A 59 7.796 19.918 -9.186 1.00 0.00 N ATOM 587 CA TYR A 59 9.038 20.312 -9.849 1.00 0.00 C ATOM 588 C TYR A 59 8.795 20.488 -11.347 1.00 0.00 C ATOM 589 O TYR A 59 9.110 21.534 -11.900 1.00 0.00 O ATOM 590 CB TYR A 59 10.137 19.259 -9.646 1.00 0.00 C ATOM 591 CG TYR A 59 11.458 19.591 -10.311 1.00 0.00 C ATOM 592 CD1 TYR A 59 11.697 19.195 -11.643 1.00 0.00 C ATOM 593 CD2 TYR A 59 12.457 20.270 -9.592 1.00 0.00 C ATOM 594 CE1 TYR A 59 12.964 19.392 -12.229 1.00 0.00 C ATOM 595 CE2 TYR A 59 13.714 20.484 -10.181 1.00 0.00 C ATOM 596 CZ TYR A 59 13.980 20.026 -11.483 1.00 0.00 C ATOM 597 OH TYR A 59 15.206 20.271 -12.008 1.00 0.00 O ATOM 0 H TYR A 59 7.855 19.012 -8.720 1.00 0.00 H new ATOM 0 HA TYR A 59 9.366 21.253 -9.407 1.00 0.00 H new ATOM 0 HB2 TYR A 59 10.306 19.130 -8.577 1.00 0.00 H new ATOM 0 HB3 TYR A 59 9.782 18.303 -10.030 1.00 0.00 H new ATOM 0 HD1 TYR A 59 10.905 18.738 -12.218 1.00 0.00 H new ATOM 0 HD2 TYR A 59 12.259 20.625 -8.592 1.00 0.00 H new ATOM 0 HE1 TYR A 59 13.155 19.061 -13.239 1.00 0.00 H new ATOM 0 HE2 TYR A 59 14.482 21.005 -9.629 1.00 0.00 H new ATOM 0 HH TYR A 59 15.481 19.513 -12.564 1.00 0.00 H new ATOM 607 N ILE A 60 8.178 19.502 -12.007 1.00 0.00 N ATOM 608 CA ILE A 60 7.873 19.601 -13.440 1.00 0.00 C ATOM 609 C ILE A 60 6.889 20.745 -13.685 1.00 0.00 C ATOM 610 O ILE A 60 7.058 21.487 -14.644 1.00 0.00 O ATOM 611 CB ILE A 60 7.325 18.276 -14.006 1.00 0.00 C ATOM 612 CG1 ILE A 60 8.275 17.079 -13.784 1.00 0.00 C ATOM 613 CG2 ILE A 60 7.044 18.426 -15.516 1.00 0.00 C ATOM 614 CD1 ILE A 60 7.474 15.782 -13.630 1.00 0.00 C ATOM 0 H ILE A 60 7.880 18.628 -11.574 1.00 0.00 H new ATOM 0 HA ILE A 60 8.804 19.811 -13.967 1.00 0.00 H new ATOM 0 HB ILE A 60 6.405 18.064 -13.461 1.00 0.00 H new ATOM 0 HG12 ILE A 60 8.963 16.991 -14.625 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.881 17.248 -12.894 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.657 17.486 -15.909 1.00 0.00 H new ATOM 0 HG22 ILE A 60 6.308 19.215 -15.673 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.968 18.683 -16.034 1.00 0.00 H new ATOM 0 HD11 ILE A 60 8.158 14.948 -13.474 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.805 15.867 -12.774 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.888 15.607 -14.532 1.00 0.00 H new ATOM 626 N MET A 61 5.897 20.937 -12.815 1.00 0.00 N ATOM 627 CA MET A 61 4.917 22.014 -12.961 1.00 0.00 C ATOM 628 C MET A 61 5.566 23.413 -12.879 1.00 0.00 C ATOM 629 O MET A 61 5.235 24.287 -13.680 1.00 0.00 O ATOM 630 CB MET A 61 3.820 21.818 -11.903 1.00 0.00 C ATOM 631 CG MET A 61 2.562 22.646 -12.177 1.00 0.00 C ATOM 632 SD MET A 61 1.674 22.193 -13.697 1.00 0.00 S ATOM 633 CE MET A 61 1.904 23.712 -14.660 1.00 0.00 C ATOM 0 H MET A 61 5.750 20.353 -11.992 1.00 0.00 H new ATOM 0 HA MET A 61 4.473 21.964 -13.955 1.00 0.00 H new ATOM 0 HB2 MET A 61 3.550 20.763 -11.860 1.00 0.00 H new ATOM 0 HB3 MET A 61 4.217 22.086 -10.924 1.00 0.00 H new ATOM 0 HG2 MET A 61 1.883 22.542 -11.331 1.00 0.00 H new ATOM 0 HG3 MET A 61 2.841 23.698 -12.235 1.00 0.00 H new ATOM 0 HE1 MET A 61 1.402 23.612 -15.623 1.00 0.00 H new ATOM 0 HE2 MET A 61 1.480 24.556 -14.116 1.00 0.00 H new ATOM 0 HE3 MET A 61 2.968 23.883 -14.822 1.00 0.00 H new ATOM 643 N VAL A 62 6.527 23.626 -11.966 1.00 0.00 N ATOM 644 CA VAL A 62 7.262 24.903 -11.833 1.00 0.00 C ATOM 645 C VAL A 62 8.359 25.090 -12.887 1.00 0.00 C ATOM 646 O VAL A 62 8.518 26.189 -13.418 1.00 0.00 O ATOM 647 CB VAL A 62 7.780 25.098 -10.394 1.00 0.00 C ATOM 648 CG1 VAL A 62 8.959 24.214 -9.981 1.00 0.00 C ATOM 649 CG2 VAL A 62 8.223 26.538 -10.154 1.00 0.00 C ATOM 0 H VAL A 62 6.820 22.917 -11.294 1.00 0.00 H new ATOM 0 HA VAL A 62 6.544 25.698 -12.035 1.00 0.00 H new ATOM 0 HB VAL A 62 6.918 24.813 -9.792 1.00 0.00 H new ATOM 0 HG11 VAL A 62 9.238 24.437 -8.951 1.00 0.00 H new ATOM 0 HG12 VAL A 62 8.673 23.165 -10.060 1.00 0.00 H new ATOM 0 HG13 VAL A 62 9.807 24.409 -10.637 1.00 0.00 H new ATOM 0 HG21 VAL A 62 8.583 26.642 -9.130 1.00 0.00 H new ATOM 0 HG22 VAL A 62 9.024 26.793 -10.848 1.00 0.00 H new ATOM 0 HG23 VAL A 62 7.379 27.209 -10.312 1.00 0.00 H new ATOM 659 N LYS A 63 9.084 24.018 -13.230 1.00 0.00 N ATOM 660 CA LYS A 63 10.112 23.997 -14.292 1.00 0.00 C ATOM 661 C LYS A 63 9.554 23.864 -15.726 1.00 0.00 C ATOM 662 O LYS A 63 10.316 24.040 -16.673 1.00 0.00 O ATOM 663 CB LYS A 63 11.111 22.863 -14.015 1.00 0.00 C ATOM 664 CG LYS A 63 11.910 22.974 -12.714 1.00 0.00 C ATOM 665 CD LYS A 63 12.810 24.209 -12.609 1.00 0.00 C ATOM 666 CE LYS A 63 13.782 24.035 -11.433 1.00 0.00 C ATOM 667 NZ LYS A 63 15.024 23.305 -11.835 1.00 0.00 N ATOM 0 H LYS A 63 8.973 23.115 -12.768 1.00 0.00 H new ATOM 0 HA LYS A 63 10.601 24.971 -14.256 1.00 0.00 H new ATOM 0 HB2 LYS A 63 10.565 21.920 -14.003 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.814 22.814 -14.847 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.212 22.979 -11.876 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.528 22.083 -12.608 1.00 0.00 H new ATOM 0 HD2 LYS A 63 13.366 24.347 -13.537 1.00 0.00 H new ATOM 0 HD3 LYS A 63 12.203 25.103 -12.464 1.00 0.00 H new ATOM 0 HE2 LYS A 63 14.050 25.014 -11.036 1.00 0.00 H new ATOM 0 HE3 LYS A 63 13.285 23.490 -10.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 15.797 23.550 -11.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 14.852 22.280 -11.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 15.288 23.577 -12.803 1.00 0.00 H new ATOM 681 N GLN A 64 8.260 23.550 -15.884 1.00 0.00 N ATOM 682 CA GLN A 64 7.494 23.207 -17.095 1.00 0.00 C ATOM 683 C GLN A 64 8.277 22.361 -18.114 1.00 0.00 C ATOM 684 O GLN A 64 8.600 22.825 -19.210 1.00 0.00 O ATOM 685 CB GLN A 64 6.755 24.427 -17.673 1.00 0.00 C ATOM 686 CG GLN A 64 7.679 25.614 -17.954 1.00 0.00 C ATOM 687 CD GLN A 64 7.630 26.696 -16.874 1.00 0.00 C ATOM 688 OE1 GLN A 64 6.589 27.254 -16.547 1.00 0.00 O ATOM 689 NE2 GLN A 64 8.752 27.048 -16.284 1.00 0.00 N ATOM 0 H GLN A 64 7.650 23.527 -15.067 1.00 0.00 H new ATOM 0 HA GLN A 64 6.705 22.523 -16.784 1.00 0.00 H new ATOM 0 HB2 GLN A 64 6.256 24.137 -18.597 1.00 0.00 H new ATOM 0 HB3 GLN A 64 5.978 24.737 -16.975 1.00 0.00 H new ATOM 0 HG2 GLN A 64 8.703 25.252 -18.048 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.408 26.056 -18.913 1.00 0.00 H new ATOM 0 HE21 GLN A 64 9.628 26.595 -16.543 1.00 0.00 H new ATOM 0 HE22 GLN A 64 8.746 27.774 -15.568 1.00 0.00 H new ATOM 698 N LEU A 65 8.563 21.093 -17.762 1.00 0.00 N ATOM 699 CA LEU A 65 9.267 20.176 -18.672 1.00 0.00 C ATOM 700 C LEU A 65 8.327 19.506 -19.692 1.00 0.00 C ATOM 701 O LEU A 65 8.787 18.759 -20.547 1.00 0.00 O ATOM 702 CB LEU A 65 10.168 19.130 -17.959 1.00 0.00 C ATOM 703 CG LEU A 65 11.361 19.595 -17.100 1.00 0.00 C ATOM 704 CD1 LEU A 65 12.080 20.825 -17.650 1.00 0.00 C ATOM 705 CD2 LEU A 65 10.923 19.852 -15.666 1.00 0.00 C ATOM 0 H LEU A 65 8.318 20.685 -16.860 1.00 0.00 H new ATOM 0 HA LEU A 65 9.946 20.823 -19.226 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.522 18.530 -17.318 1.00 0.00 H new ATOM 0 HB3 LEU A 65 10.562 18.465 -18.727 1.00 0.00 H new ATOM 0 HG LEU A 65 12.080 18.776 -17.131 1.00 0.00 H new ATOM 0 HD11 LEU A 65 12.906 21.089 -16.990 1.00 0.00 H new ATOM 0 HD12 LEU A 65 12.467 20.606 -18.645 1.00 0.00 H new ATOM 0 HD13 LEU A 65 11.381 21.659 -17.708 1.00 0.00 H new ATOM 0 HD21 LEU A 65 11.780 20.179 -15.077 1.00 0.00 H new ATOM 0 HD22 LEU A 65 10.157 20.627 -15.653 1.00 0.00 H new ATOM 0 HD23 LEU A 65 10.518 18.934 -15.239 1.00 0.00 H new ATOM 717 N TYR A 66 7.012 19.712 -19.602 1.00 0.00 N ATOM 718 CA TYR A 66 6.029 18.977 -20.401 1.00 0.00 C ATOM 719 C TYR A 66 5.819 19.518 -21.828 1.00 0.00 C ATOM 720 O TYR A 66 6.227 20.634 -22.164 1.00 0.00 O ATOM 721 CB TYR A 66 4.711 18.871 -19.629 1.00 0.00 C ATOM 722 CG TYR A 66 4.200 20.205 -19.134 1.00 0.00 C ATOM 723 CD1 TYR A 66 3.661 21.137 -20.036 1.00 0.00 C ATOM 724 CD2 TYR A 66 4.357 20.540 -17.780 1.00 0.00 C ATOM 725 CE1 TYR A 66 3.280 22.416 -19.594 1.00 0.00 C ATOM 726 CE2 TYR A 66 3.977 21.819 -17.325 1.00 0.00 C ATOM 727 CZ TYR A 66 3.440 22.762 -18.232 1.00 0.00 C ATOM 728 OH TYR A 66 3.096 24.004 -17.792 1.00 0.00 O ATOM 0 H TYR A 66 6.597 20.396 -18.970 1.00 0.00 H new ATOM 0 HA TYR A 66 6.443 17.981 -20.558 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.957 18.416 -20.272 1.00 0.00 H new ATOM 0 HB3 TYR A 66 4.849 18.204 -18.778 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.539 20.870 -21.075 1.00 0.00 H new ATOM 0 HD2 TYR A 66 4.768 19.820 -17.088 1.00 0.00 H new ATOM 0 HE1 TYR A 66 2.867 23.131 -20.291 1.00 0.00 H new ATOM 0 HE2 TYR A 66 4.096 22.079 -16.283 1.00 0.00 H new ATOM 0 HH TYR A 66 2.363 24.354 -18.340 1.00 0.00 H new ATOM 738 N ASP A 67 5.143 18.730 -22.671 1.00 0.00 N ATOM 739 CA ASP A 67 4.736 19.141 -24.019 1.00 0.00 C ATOM 740 C ASP A 67 3.581 20.162 -24.001 1.00 0.00 C ATOM 741 O ASP A 67 2.629 20.045 -23.227 1.00 0.00 O ATOM 742 CB ASP A 67 4.344 17.917 -24.856 1.00 0.00 C ATOM 743 CG ASP A 67 4.344 18.246 -26.359 1.00 0.00 C ATOM 744 OD1 ASP A 67 3.358 18.852 -26.839 1.00 0.00 O ATOM 745 OD2 ASP A 67 5.334 17.926 -27.056 1.00 0.00 O ATOM 0 H ASP A 67 4.860 17.779 -22.434 1.00 0.00 H new ATOM 0 HA ASP A 67 5.596 19.633 -24.474 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.040 17.101 -24.660 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.355 17.571 -24.557 1.00 0.00 H new ATOM 750 N GLN A 68 3.648 21.128 -24.916 1.00 0.00 N ATOM 751 CA GLN A 68 2.626 22.136 -25.239 1.00 0.00 C ATOM 752 C GLN A 68 1.216 21.539 -25.393 1.00 0.00 C ATOM 753 O GLN A 68 0.221 22.074 -24.899 1.00 0.00 O ATOM 754 CB GLN A 68 2.945 22.802 -26.599 1.00 0.00 C ATOM 755 CG GLN A 68 4.407 23.090 -26.951 1.00 0.00 C ATOM 756 CD GLN A 68 5.261 21.856 -27.233 1.00 0.00 C ATOM 757 OE1 GLN A 68 6.129 21.482 -26.457 1.00 0.00 O ATOM 758 NE2 GLN A 68 4.997 21.133 -28.294 1.00 0.00 N ATOM 0 H GLN A 68 4.479 21.239 -25.497 1.00 0.00 H new ATOM 0 HA GLN A 68 2.643 22.840 -24.407 1.00 0.00 H new ATOM 0 HB2 GLN A 68 2.535 22.165 -27.383 1.00 0.00 H new ATOM 0 HB3 GLN A 68 2.403 23.747 -26.640 1.00 0.00 H new ATOM 0 HG2 GLN A 68 4.433 23.738 -27.827 1.00 0.00 H new ATOM 0 HG3 GLN A 68 4.859 23.646 -26.130 1.00 0.00 H new ATOM 0 HE21 GLN A 68 4.275 21.434 -28.949 1.00 0.00 H new ATOM 0 HE22 GLN A 68 5.513 20.270 -28.464 1.00 0.00 H new ATOM 767 N GLN A 69 1.157 20.428 -26.125 1.00 0.00 N ATOM 768 CA GLN A 69 -0.062 19.723 -26.540 1.00 0.00 C ATOM 769 C GLN A 69 -0.505 18.643 -25.535 1.00 0.00 C ATOM 770 O GLN A 69 -1.693 18.330 -25.445 1.00 0.00 O ATOM 771 CB GLN A 69 0.194 19.078 -27.912 1.00 0.00 C ATOM 772 CG GLN A 69 0.524 20.096 -29.022 1.00 0.00 C ATOM 773 CD GLN A 69 1.566 19.586 -30.018 1.00 0.00 C ATOM 774 OE1 GLN A 69 1.333 19.504 -31.218 1.00 0.00 O ATOM 775 NE2 GLN A 69 2.766 19.268 -29.576 1.00 0.00 N ATOM 0 H GLN A 69 2.002 19.968 -26.464 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.870 20.453 -26.589 1.00 0.00 H new ATOM 0 HB2 GLN A 69 1.018 18.370 -27.823 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -0.687 18.506 -28.205 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -0.391 20.347 -29.560 1.00 0.00 H new ATOM 0 HG3 GLN A 69 0.888 21.016 -28.565 1.00 0.00 H new ATOM 0 HE21 GLN A 69 2.976 19.331 -28.580 1.00 0.00 H new ATOM 0 HE22 GLN A 69 3.485 18.959 -30.230 1.00 0.00 H new ATOM 784 N GLU A 70 0.441 18.071 -24.783 1.00 0.00 N ATOM 785 CA GLU A 70 0.233 16.940 -23.867 1.00 0.00 C ATOM 786 C GLU A 70 0.960 17.166 -22.531 1.00 0.00 C ATOM 787 O GLU A 70 2.086 16.716 -22.323 1.00 0.00 O ATOM 788 CB GLU A 70 0.680 15.627 -24.538 1.00 0.00 C ATOM 789 CG GLU A 70 -0.295 15.155 -25.623 1.00 0.00 C ATOM 790 CD GLU A 70 -0.001 13.698 -26.027 1.00 0.00 C ATOM 791 OE1 GLU A 70 -0.458 12.770 -25.313 1.00 0.00 O ATOM 792 OE2 GLU A 70 0.674 13.469 -27.061 1.00 0.00 O ATOM 0 H GLU A 70 1.409 18.393 -24.794 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.831 16.865 -23.644 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.667 15.767 -24.978 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.776 14.850 -23.779 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.319 15.236 -25.258 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.215 15.802 -26.496 1.00 0.00 H new ATOM 799 N GLN A 71 0.299 17.855 -21.598 1.00 0.00 N ATOM 800 CA GLN A 71 0.851 18.244 -20.295 1.00 0.00 C ATOM 801 C GLN A 71 1.296 17.063 -19.409 1.00 0.00 C ATOM 802 O GLN A 71 2.158 17.225 -18.547 1.00 0.00 O ATOM 803 CB GLN A 71 -0.226 19.058 -19.570 1.00 0.00 C ATOM 804 CG GLN A 71 -0.212 20.553 -19.923 1.00 0.00 C ATOM 805 CD GLN A 71 -0.740 20.896 -21.316 1.00 0.00 C ATOM 806 OE1 GLN A 71 -1.890 21.278 -21.493 1.00 0.00 O ATOM 807 NE2 GLN A 71 0.052 20.796 -22.361 1.00 0.00 N ATOM 0 H GLN A 71 -0.663 18.167 -21.730 1.00 0.00 H new ATOM 0 HA GLN A 71 1.759 18.818 -20.479 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -1.205 18.646 -19.813 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -0.091 18.946 -18.494 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.806 21.090 -19.184 1.00 0.00 H new ATOM 0 HG3 GLN A 71 0.811 20.921 -19.838 1.00 0.00 H new ATOM 0 HE21 GLN A 71 1.015 20.480 -22.243 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -0.296 21.034 -23.290 1.00 0.00 H new ATOM 816 N HIS A 72 0.729 15.873 -19.616 1.00 0.00 N ATOM 817 CA HIS A 72 1.118 14.623 -18.950 1.00 0.00 C ATOM 818 C HIS A 72 2.395 13.980 -19.527 1.00 0.00 C ATOM 819 O HIS A 72 3.024 13.175 -18.843 1.00 0.00 O ATOM 820 CB HIS A 72 -0.059 13.638 -19.028 1.00 0.00 C ATOM 821 CG HIS A 72 -0.681 13.575 -20.397 1.00 0.00 C ATOM 822 ND1 HIS A 72 -1.618 14.482 -20.890 1.00 0.00 N ATOM 823 CD2 HIS A 72 -0.267 12.767 -21.410 1.00 0.00 C ATOM 824 CE1 HIS A 72 -1.750 14.206 -22.194 1.00 0.00 C ATOM 825 NE2 HIS A 72 -0.963 13.168 -22.533 1.00 0.00 N ATOM 0 H HIS A 72 -0.040 15.746 -20.274 1.00 0.00 H new ATOM 0 HA HIS A 72 1.357 14.867 -17.915 1.00 0.00 H new ATOM 0 HB2 HIS A 72 0.287 12.644 -18.746 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -0.819 13.929 -18.303 1.00 0.00 H new ATOM 0 HD2 HIS A 72 0.460 11.971 -21.348 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -2.395 14.740 -22.876 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -0.893 12.749 -23.461 1.00 0.00 H new ATOM 833 N MET A 73 2.788 14.325 -20.756 1.00 0.00 N ATOM 834 CA MET A 73 4.053 13.914 -21.380 1.00 0.00 C ATOM 835 C MET A 73 5.168 14.892 -21.002 1.00 0.00 C ATOM 836 O MET A 73 5.075 16.091 -21.268 1.00 0.00 O ATOM 837 CB MET A 73 3.914 13.830 -22.912 1.00 0.00 C ATOM 838 CG MET A 73 3.659 12.403 -23.407 1.00 0.00 C ATOM 839 SD MET A 73 4.993 11.201 -23.098 1.00 0.00 S ATOM 840 CE MET A 73 6.395 11.958 -23.965 1.00 0.00 C ATOM 0 H MET A 73 2.220 14.915 -21.364 1.00 0.00 H new ATOM 0 HA MET A 73 4.309 12.921 -21.009 1.00 0.00 H new ATOM 0 HB2 MET A 73 3.095 14.473 -23.234 1.00 0.00 H new ATOM 0 HB3 MET A 73 4.822 14.214 -23.376 1.00 0.00 H new ATOM 0 HG2 MET A 73 2.748 12.034 -22.936 1.00 0.00 H new ATOM 0 HG3 MET A 73 3.471 12.440 -24.480 1.00 0.00 H new ATOM 0 HE1 MET A 73 7.215 11.243 -24.024 1.00 0.00 H new ATOM 0 HE2 MET A 73 6.089 12.244 -24.971 1.00 0.00 H new ATOM 0 HE3 MET A 73 6.724 12.843 -23.421 1.00 0.00 H new ATOM 850 N VAL A 74 6.235 14.375 -20.398 1.00 0.00 N ATOM 851 CA VAL A 74 7.334 15.153 -19.807 1.00 0.00 C ATOM 852 C VAL A 74 8.614 14.985 -20.650 1.00 0.00 C ATOM 853 O VAL A 74 8.927 13.871 -21.073 1.00 0.00 O ATOM 854 CB VAL A 74 7.577 14.701 -18.353 1.00 0.00 C ATOM 855 CG1 VAL A 74 8.500 15.704 -17.659 1.00 0.00 C ATOM 856 CG2 VAL A 74 6.281 14.627 -17.529 1.00 0.00 C ATOM 0 H VAL A 74 6.368 13.368 -20.300 1.00 0.00 H new ATOM 0 HA VAL A 74 7.062 16.208 -19.801 1.00 0.00 H new ATOM 0 HB VAL A 74 8.016 13.705 -18.405 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.674 15.387 -16.631 1.00 0.00 H new ATOM 0 HG12 VAL A 74 9.451 15.751 -18.190 1.00 0.00 H new ATOM 0 HG13 VAL A 74 8.034 16.689 -17.661 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.513 14.304 -16.514 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.813 15.611 -17.498 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.597 13.914 -17.990 1.00 0.00 H new ATOM 866 N TYR A 75 9.373 16.066 -20.861 1.00 0.00 N ATOM 867 CA TYR A 75 10.632 16.130 -21.622 1.00 0.00 C ATOM 868 C TYR A 75 11.766 16.772 -20.786 1.00 0.00 C ATOM 869 O TYR A 75 11.982 17.985 -20.810 1.00 0.00 O ATOM 870 CB TYR A 75 10.394 16.880 -22.941 1.00 0.00 C ATOM 871 CG TYR A 75 9.682 16.024 -23.964 1.00 0.00 C ATOM 872 CD1 TYR A 75 10.374 14.937 -24.524 1.00 0.00 C ATOM 873 CD2 TYR A 75 8.343 16.274 -24.324 1.00 0.00 C ATOM 874 CE1 TYR A 75 9.731 14.088 -25.436 1.00 0.00 C ATOM 875 CE2 TYR A 75 7.704 15.438 -25.262 1.00 0.00 C ATOM 876 CZ TYR A 75 8.398 14.342 -25.824 1.00 0.00 C ATOM 877 OH TYR A 75 7.796 13.532 -26.740 1.00 0.00 O ATOM 0 H TYR A 75 9.111 16.977 -20.483 1.00 0.00 H new ATOM 0 HA TYR A 75 10.959 15.117 -21.855 1.00 0.00 H new ATOM 0 HB2 TYR A 75 9.805 17.776 -22.746 1.00 0.00 H new ATOM 0 HB3 TYR A 75 11.350 17.209 -23.347 1.00 0.00 H new ATOM 0 HD1 TYR A 75 11.403 14.755 -24.251 1.00 0.00 H new ATOM 0 HD2 TYR A 75 7.809 17.103 -23.883 1.00 0.00 H new ATOM 0 HE1 TYR A 75 10.257 13.237 -25.843 1.00 0.00 H new ATOM 0 HE2 TYR A 75 6.682 15.635 -25.552 1.00 0.00 H new ATOM 0 HH TYR A 75 6.879 13.841 -26.898 1.00 0.00 H new ATOM 887 N CYS A 76 12.506 15.945 -20.042 1.00 0.00 N ATOM 888 CA CYS A 76 13.561 16.329 -19.091 1.00 0.00 C ATOM 889 C CYS A 76 14.992 16.322 -19.664 1.00 0.00 C ATOM 890 O CYS A 76 15.948 16.434 -18.896 1.00 0.00 O ATOM 891 CB CYS A 76 13.460 15.430 -17.849 1.00 0.00 C ATOM 892 SG CYS A 76 11.942 15.829 -16.941 1.00 0.00 S ATOM 0 H CYS A 76 12.381 14.934 -20.087 1.00 0.00 H new ATOM 0 HA CYS A 76 13.382 17.373 -18.834 1.00 0.00 H new ATOM 0 HB2 CYS A 76 13.455 14.381 -18.145 1.00 0.00 H new ATOM 0 HB3 CYS A 76 14.330 15.576 -17.208 1.00 0.00 H new ATOM 0 HG CYS A 76 11.742 14.937 -16.017 1.00 0.00 H new ATOM 898 N GLY A 77 15.172 16.168 -20.981 1.00 0.00 N ATOM 899 CA GLY A 77 16.499 16.108 -21.612 1.00 0.00 C ATOM 900 C GLY A 77 17.383 17.315 -21.253 1.00 0.00 C ATOM 901 O GLY A 77 17.028 18.462 -21.536 1.00 0.00 O ATOM 0 H GLY A 77 14.400 16.081 -21.642 1.00 0.00 H new ATOM 0 HA2 GLY A 77 17.002 15.191 -21.305 1.00 0.00 H new ATOM 0 HA3 GLY A 77 16.380 16.059 -22.694 1.00 0.00 H new ATOM 905 N GLY A 78 18.528 17.052 -20.611 1.00 0.00 N ATOM 906 CA GLY A 78 19.485 18.065 -20.138 1.00 0.00 C ATOM 907 C GLY A 78 19.204 18.668 -18.748 1.00 0.00 C ATOM 908 O GLY A 78 20.003 19.480 -18.275 1.00 0.00 O ATOM 0 H GLY A 78 18.825 16.099 -20.399 1.00 0.00 H new ATOM 0 HA2 GLY A 78 20.479 17.617 -20.123 1.00 0.00 H new ATOM 0 HA3 GLY A 78 19.512 18.877 -20.865 1.00 0.00 H new ATOM 912 N ASP A 79 18.115 18.287 -18.069 1.00 0.00 N ATOM 913 CA ASP A 79 17.816 18.705 -16.686 1.00 0.00 C ATOM 914 C ASP A 79 18.515 17.812 -15.639 1.00 0.00 C ATOM 915 O ASP A 79 18.895 16.676 -15.937 1.00 0.00 O ATOM 916 CB ASP A 79 16.295 18.700 -16.458 1.00 0.00 C ATOM 917 CG ASP A 79 15.908 19.557 -15.249 1.00 0.00 C ATOM 918 OD1 ASP A 79 15.839 20.801 -15.376 1.00 0.00 O ATOM 919 OD2 ASP A 79 15.721 18.979 -14.157 1.00 0.00 O ATOM 0 H ASP A 79 17.405 17.672 -18.466 1.00 0.00 H new ATOM 0 HA ASP A 79 18.205 19.715 -16.557 1.00 0.00 H new ATOM 0 HB2 ASP A 79 15.791 19.076 -17.348 1.00 0.00 H new ATOM 0 HB3 ASP A 79 15.952 17.677 -16.305 1.00 0.00 H new ATOM 924 N LEU A 80 18.624 18.280 -14.387 1.00 0.00 N ATOM 925 CA LEU A 80 19.057 17.441 -13.260 1.00 0.00 C ATOM 926 C LEU A 80 18.106 16.247 -13.103 1.00 0.00 C ATOM 927 O LEU A 80 18.555 15.105 -13.010 1.00 0.00 O ATOM 928 CB LEU A 80 19.074 18.264 -11.961 1.00 0.00 C ATOM 929 CG LEU A 80 20.243 17.920 -11.014 1.00 0.00 C ATOM 930 CD1 LEU A 80 20.195 18.856 -9.804 1.00 0.00 C ATOM 931 CD2 LEU A 80 20.239 16.487 -10.480 1.00 0.00 C ATOM 0 H LEU A 80 18.416 19.244 -14.128 1.00 0.00 H new ATOM 0 HA LEU A 80 20.064 17.076 -13.461 1.00 0.00 H new ATOM 0 HB2 LEU A 80 19.125 19.323 -12.215 1.00 0.00 H new ATOM 0 HB3 LEU A 80 18.134 18.108 -11.432 1.00 0.00 H new ATOM 0 HG LEU A 80 21.145 18.037 -11.614 1.00 0.00 H new ATOM 0 HD11 LEU A 80 21.018 18.620 -9.129 1.00 0.00 H new ATOM 0 HD12 LEU A 80 20.285 19.889 -10.139 1.00 0.00 H new ATOM 0 HD13 LEU A 80 19.248 18.726 -9.281 1.00 0.00 H new ATOM 0 HD21 LEU A 80 21.097 16.341 -9.824 1.00 0.00 H new ATOM 0 HD22 LEU A 80 19.321 16.310 -9.920 1.00 0.00 H new ATOM 0 HD23 LEU A 80 20.296 15.788 -11.314 1.00 0.00 H new ATOM 943 N LEU A 81 16.786 16.494 -13.147 1.00 0.00 N ATOM 944 CA LEU A 81 15.794 15.424 -13.180 1.00 0.00 C ATOM 945 C LEU A 81 16.037 14.420 -14.336 1.00 0.00 C ATOM 946 O LEU A 81 15.898 13.213 -14.147 1.00 0.00 O ATOM 947 CB LEU A 81 14.391 16.064 -13.243 1.00 0.00 C ATOM 948 CG LEU A 81 13.214 15.083 -13.403 1.00 0.00 C ATOM 949 CD1 LEU A 81 13.215 13.966 -12.364 1.00 0.00 C ATOM 950 CD2 LEU A 81 11.893 15.842 -13.272 1.00 0.00 C ATOM 0 H LEU A 81 16.387 17.433 -13.160 1.00 0.00 H new ATOM 0 HA LEU A 81 15.880 14.829 -12.271 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.235 16.644 -12.333 1.00 0.00 H new ATOM 0 HB3 LEU A 81 14.370 16.767 -14.076 1.00 0.00 H new ATOM 0 HG LEU A 81 13.326 14.629 -14.388 1.00 0.00 H new ATOM 0 HD11 LEU A 81 12.360 13.311 -12.533 1.00 0.00 H new ATOM 0 HD12 LEU A 81 14.136 13.390 -12.450 1.00 0.00 H new ATOM 0 HD13 LEU A 81 13.149 14.398 -11.365 1.00 0.00 H new ATOM 0 HD21 LEU A 81 11.061 15.147 -13.385 1.00 0.00 H new ATOM 0 HD22 LEU A 81 11.840 16.314 -12.291 1.00 0.00 H new ATOM 0 HD23 LEU A 81 11.835 16.607 -14.046 1.00 0.00 H new ATOM 962 N GLY A 82 16.458 14.889 -15.514 1.00 0.00 N ATOM 963 CA GLY A 82 16.824 14.023 -16.644 1.00 0.00 C ATOM 964 C GLY A 82 18.058 13.156 -16.366 1.00 0.00 C ATOM 965 O GLY A 82 18.052 11.957 -16.649 1.00 0.00 O ATOM 0 H GLY A 82 16.556 15.884 -15.714 1.00 0.00 H new ATOM 0 HA2 GLY A 82 15.981 13.376 -16.886 1.00 0.00 H new ATOM 0 HA3 GLY A 82 17.013 14.642 -17.521 1.00 0.00 H new ATOM 969 N GLU A 83 19.092 13.726 -15.740 1.00 0.00 N ATOM 970 CA GLU A 83 20.306 13.002 -15.335 1.00 0.00 C ATOM 971 C GLU A 83 20.008 11.943 -14.255 1.00 0.00 C ATOM 972 O GLU A 83 20.531 10.828 -14.315 1.00 0.00 O ATOM 973 CB GLU A 83 21.415 14.006 -14.945 1.00 0.00 C ATOM 974 CG GLU A 83 21.937 13.929 -13.504 1.00 0.00 C ATOM 975 CD GLU A 83 23.113 14.905 -13.298 1.00 0.00 C ATOM 976 OE1 GLU A 83 22.884 16.128 -13.135 1.00 0.00 O ATOM 977 OE2 GLU A 83 24.285 14.452 -13.300 1.00 0.00 O ATOM 0 H GLU A 83 19.112 14.716 -15.496 1.00 0.00 H new ATOM 0 HA GLU A 83 20.684 12.432 -16.184 1.00 0.00 H new ATOM 0 HB2 GLU A 83 22.258 13.862 -15.621 1.00 0.00 H new ATOM 0 HB3 GLU A 83 21.038 15.014 -15.117 1.00 0.00 H new ATOM 0 HG2 GLU A 83 21.133 14.168 -12.807 1.00 0.00 H new ATOM 0 HG3 GLU A 83 22.259 12.912 -13.282 1.00 0.00 H new ATOM 984 N LEU A 84 19.112 12.263 -13.314 1.00 0.00 N ATOM 985 CA LEU A 84 18.583 11.349 -12.306 1.00 0.00 C ATOM 986 C LEU A 84 17.846 10.153 -12.938 1.00 0.00 C ATOM 987 O LEU A 84 18.089 9.002 -12.571 1.00 0.00 O ATOM 988 CB LEU A 84 17.662 12.172 -11.383 1.00 0.00 C ATOM 989 CG LEU A 84 16.778 11.334 -10.449 1.00 0.00 C ATOM 990 CD1 LEU A 84 17.636 10.638 -9.399 1.00 0.00 C ATOM 991 CD2 LEU A 84 15.749 12.233 -9.775 1.00 0.00 C ATOM 0 H LEU A 84 18.723 13.203 -13.234 1.00 0.00 H new ATOM 0 HA LEU A 84 19.399 10.910 -11.732 1.00 0.00 H new ATOM 0 HB2 LEU A 84 18.277 12.838 -10.778 1.00 0.00 H new ATOM 0 HB3 LEU A 84 17.021 12.802 -12.000 1.00 0.00 H new ATOM 0 HG LEU A 84 16.260 10.574 -11.034 1.00 0.00 H new ATOM 0 HD11 LEU A 84 16.998 10.046 -8.742 1.00 0.00 H new ATOM 0 HD12 LEU A 84 18.355 9.984 -9.892 1.00 0.00 H new ATOM 0 HD13 LEU A 84 18.169 11.385 -8.811 1.00 0.00 H new ATOM 0 HD21 LEU A 84 15.123 11.636 -9.112 1.00 0.00 H new ATOM 0 HD22 LEU A 84 16.261 13.001 -9.196 1.00 0.00 H new ATOM 0 HD23 LEU A 84 15.126 12.706 -10.534 1.00 0.00 H new ATOM 1003 N LEU A 85 16.948 10.429 -13.887 1.00 0.00 N ATOM 1004 CA LEU A 85 16.188 9.408 -14.622 1.00 0.00 C ATOM 1005 C LEU A 85 17.070 8.572 -15.566 1.00 0.00 C ATOM 1006 O LEU A 85 16.751 7.412 -15.832 1.00 0.00 O ATOM 1007 CB LEU A 85 15.057 10.101 -15.420 1.00 0.00 C ATOM 1008 CG LEU A 85 13.651 9.767 -14.900 1.00 0.00 C ATOM 1009 CD1 LEU A 85 12.669 10.852 -15.320 1.00 0.00 C ATOM 1010 CD2 LEU A 85 13.150 8.432 -15.442 1.00 0.00 C ATOM 0 H LEU A 85 16.723 11.382 -14.173 1.00 0.00 H new ATOM 0 HA LEU A 85 15.771 8.713 -13.893 1.00 0.00 H new ATOM 0 HB2 LEU A 85 15.204 11.180 -15.381 1.00 0.00 H new ATOM 0 HB3 LEU A 85 15.128 9.807 -16.467 1.00 0.00 H new ATOM 0 HG LEU A 85 13.716 9.705 -13.814 1.00 0.00 H new ATOM 0 HD11 LEU A 85 11.675 10.607 -14.947 1.00 0.00 H new ATOM 0 HD12 LEU A 85 12.986 11.809 -14.906 1.00 0.00 H new ATOM 0 HD13 LEU A 85 12.643 10.918 -16.408 1.00 0.00 H new ATOM 0 HD21 LEU A 85 12.152 8.232 -15.051 1.00 0.00 H new ATOM 0 HD22 LEU A 85 13.112 8.473 -16.531 1.00 0.00 H new ATOM 0 HD23 LEU A 85 13.827 7.636 -15.132 1.00 0.00 H new ATOM 1022 N GLY A 86 18.154 9.157 -16.093 1.00 0.00 N ATOM 1023 CA GLY A 86 18.945 8.566 -17.182 1.00 0.00 C ATOM 1024 C GLY A 86 18.131 8.501 -18.486 1.00 0.00 C ATOM 1025 O GLY A 86 18.357 7.628 -19.327 1.00 0.00 O ATOM 0 H GLY A 86 18.509 10.059 -15.774 1.00 0.00 H new ATOM 0 HA2 GLY A 86 19.847 9.156 -17.342 1.00 0.00 H new ATOM 0 HA3 GLY A 86 19.266 7.563 -16.900 1.00 0.00 H new ATOM 1029 N ARG A 87 17.135 9.393 -18.609 1.00 0.00 N ATOM 1030 CA ARG A 87 16.079 9.405 -19.633 1.00 0.00 C ATOM 1031 C ARG A 87 15.630 10.840 -19.910 1.00 0.00 C ATOM 1032 O ARG A 87 15.458 11.623 -18.976 1.00 0.00 O ATOM 1033 CB ARG A 87 14.892 8.564 -19.107 1.00 0.00 C ATOM 1034 CG ARG A 87 14.250 7.669 -20.171 1.00 0.00 C ATOM 1035 CD ARG A 87 13.125 6.845 -19.528 1.00 0.00 C ATOM 1036 NE ARG A 87 12.723 5.712 -20.388 1.00 0.00 N ATOM 1037 CZ ARG A 87 11.877 5.711 -21.406 1.00 0.00 C ATOM 1038 NH1 ARG A 87 11.209 6.766 -21.772 1.00 0.00 N ATOM 1039 NH2 ARG A 87 11.686 4.621 -22.091 1.00 0.00 N ATOM 0 H ARG A 87 17.040 10.172 -17.957 1.00 0.00 H new ATOM 0 HA ARG A 87 16.453 8.983 -20.566 1.00 0.00 H new ATOM 0 HB2 ARG A 87 15.237 7.941 -18.282 1.00 0.00 H new ATOM 0 HB3 ARG A 87 14.133 9.235 -18.704 1.00 0.00 H new ATOM 0 HG2 ARG A 87 13.852 8.278 -20.983 1.00 0.00 H new ATOM 0 HG3 ARG A 87 14.999 7.007 -20.606 1.00 0.00 H new ATOM 0 HD2 ARG A 87 13.456 6.469 -18.560 1.00 0.00 H new ATOM 0 HD3 ARG A 87 12.263 7.486 -19.343 1.00 0.00 H new ATOM 0 HE ARG A 87 13.154 4.814 -20.168 1.00 0.00 H new ATOM 0 HH11 ARG A 87 11.326 7.644 -21.267 1.00 0.00 H new ATOM 0 HH12 ARG A 87 10.568 6.715 -22.564 1.00 0.00 H new ATOM 0 HH21 ARG A 87 12.188 3.768 -21.843 1.00 0.00 H new ATOM 0 HH22 ARG A 87 11.034 4.619 -22.876 1.00 0.00 H new ATOM 1053 N GLN A 88 15.379 11.168 -21.176 1.00 0.00 N ATOM 1054 CA GLN A 88 14.862 12.489 -21.568 1.00 0.00 C ATOM 1055 C GLN A 88 13.339 12.607 -21.531 1.00 0.00 C ATOM 1056 O GLN A 88 12.833 13.720 -21.582 1.00 0.00 O ATOM 1057 CB GLN A 88 15.395 12.877 -22.951 1.00 0.00 C ATOM 1058 CG GLN A 88 14.931 11.982 -24.114 1.00 0.00 C ATOM 1059 CD GLN A 88 15.447 12.496 -25.458 1.00 0.00 C ATOM 1060 OE1 GLN A 88 16.426 12.009 -26.010 1.00 0.00 O ATOM 1061 NE2 GLN A 88 14.824 13.506 -26.033 1.00 0.00 N ATOM 0 H GLN A 88 15.526 10.532 -21.960 1.00 0.00 H new ATOM 0 HA GLN A 88 15.228 13.187 -20.815 1.00 0.00 H new ATOM 0 HB2 GLN A 88 15.094 13.903 -23.163 1.00 0.00 H new ATOM 0 HB3 GLN A 88 16.484 12.865 -22.918 1.00 0.00 H new ATOM 0 HG2 GLN A 88 15.284 10.963 -23.953 1.00 0.00 H new ATOM 0 HG3 GLN A 88 13.842 11.943 -24.132 1.00 0.00 H new ATOM 0 HE21 GLN A 88 14.007 13.923 -25.586 1.00 0.00 H new ATOM 0 HE22 GLN A 88 15.159 13.871 -26.925 1.00 0.00 H new ATOM 1070 N SER A 89 12.602 11.501 -21.471 1.00 0.00 N ATOM 1071 CA SER A 89 11.128 11.532 -21.479 1.00 0.00 C ATOM 1072 C SER A 89 10.440 10.380 -20.746 1.00 0.00 C ATOM 1073 O SER A 89 11.002 9.295 -20.579 1.00 0.00 O ATOM 1074 CB SER A 89 10.613 11.609 -22.924 1.00 0.00 C ATOM 1075 OG SER A 89 10.991 10.451 -23.657 1.00 0.00 O ATOM 0 H SER A 89 12.998 10.562 -21.416 1.00 0.00 H new ATOM 0 HA SER A 89 10.863 12.427 -20.916 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.527 11.706 -22.923 1.00 0.00 H new ATOM 0 HB3 SER A 89 11.012 12.499 -23.410 1.00 0.00 H new ATOM 0 HG SER A 89 10.652 10.519 -24.574 1.00 0.00 H new ATOM 1081 N PHE A 90 9.212 10.648 -20.294 1.00 0.00 N ATOM 1082 CA PHE A 90 8.265 9.729 -19.643 1.00 0.00 C ATOM 1083 C PHE A 90 6.862 10.381 -19.601 1.00 0.00 C ATOM 1084 O PHE A 90 6.699 11.542 -19.986 1.00 0.00 O ATOM 1085 CB PHE A 90 8.754 9.388 -18.221 1.00 0.00 C ATOM 1086 CG PHE A 90 8.867 10.575 -17.285 1.00 0.00 C ATOM 1087 CD1 PHE A 90 10.004 11.402 -17.335 1.00 0.00 C ATOM 1088 CD2 PHE A 90 7.836 10.861 -16.371 1.00 0.00 C ATOM 1089 CE1 PHE A 90 10.112 12.507 -16.477 1.00 0.00 C ATOM 1090 CE2 PHE A 90 7.953 11.959 -15.502 1.00 0.00 C ATOM 1091 CZ PHE A 90 9.100 12.771 -15.539 1.00 0.00 C ATOM 0 H PHE A 90 8.820 11.586 -20.379 1.00 0.00 H new ATOM 0 HA PHE A 90 8.204 8.802 -20.213 1.00 0.00 H new ATOM 0 HB2 PHE A 90 8.071 8.661 -17.782 1.00 0.00 H new ATOM 0 HB3 PHE A 90 9.729 8.906 -18.293 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.796 11.186 -18.036 1.00 0.00 H new ATOM 0 HD2 PHE A 90 6.955 10.237 -16.337 1.00 0.00 H new ATOM 0 HE1 PHE A 90 10.974 13.155 -16.538 1.00 0.00 H new ATOM 0 HE2 PHE A 90 7.159 12.180 -14.804 1.00 0.00 H new ATOM 0 HZ PHE A 90 9.203 13.595 -14.849 1.00 0.00 H new ATOM 1101 N SER A 91 5.849 9.661 -19.107 1.00 0.00 N ATOM 1102 CA SER A 91 4.482 10.177 -18.915 1.00 0.00 C ATOM 1103 C SER A 91 3.933 9.830 -17.533 1.00 0.00 C ATOM 1104 O SER A 91 4.246 8.769 -16.995 1.00 0.00 O ATOM 1105 CB SER A 91 3.556 9.604 -19.992 1.00 0.00 C ATOM 1106 OG SER A 91 2.212 10.012 -19.779 1.00 0.00 O ATOM 0 H SER A 91 5.954 8.687 -18.824 1.00 0.00 H new ATOM 0 HA SER A 91 4.524 11.263 -18.997 1.00 0.00 H new ATOM 0 HB2 SER A 91 3.888 9.935 -20.976 1.00 0.00 H new ATOM 0 HB3 SER A 91 3.615 8.516 -19.985 1.00 0.00 H new ATOM 0 HG SER A 91 1.641 9.635 -20.480 1.00 0.00 H new ATOM 1112 N VAL A 92 3.035 10.654 -16.980 1.00 0.00 N ATOM 1113 CA VAL A 92 2.275 10.317 -15.767 1.00 0.00 C ATOM 1114 C VAL A 92 1.396 9.063 -15.964 1.00 0.00 C ATOM 1115 O VAL A 92 1.036 8.395 -14.994 1.00 0.00 O ATOM 1116 CB VAL A 92 1.437 11.520 -15.278 1.00 0.00 C ATOM 1117 CG1 VAL A 92 2.117 12.876 -15.497 1.00 0.00 C ATOM 1118 CG2 VAL A 92 0.029 11.597 -15.875 1.00 0.00 C ATOM 0 H VAL A 92 2.814 11.574 -17.360 1.00 0.00 H new ATOM 0 HA VAL A 92 3.001 10.078 -14.990 1.00 0.00 H new ATOM 0 HB VAL A 92 1.353 11.323 -14.209 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.469 13.672 -15.129 1.00 0.00 H new ATOM 0 HG12 VAL A 92 3.063 12.900 -14.957 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.303 13.022 -16.561 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -0.488 12.471 -15.477 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.098 11.679 -16.960 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.527 10.697 -15.614 1.00 0.00 H new ATOM 1128 N LYS A 93 1.075 8.734 -17.228 1.00 0.00 N ATOM 1129 CA LYS A 93 0.295 7.557 -17.661 1.00 0.00 C ATOM 1130 C LYS A 93 1.173 6.326 -17.962 1.00 0.00 C ATOM 1131 O LYS A 93 0.647 5.230 -18.161 1.00 0.00 O ATOM 1132 CB LYS A 93 -0.566 7.945 -18.882 1.00 0.00 C ATOM 1133 CG LYS A 93 -1.549 9.093 -18.586 1.00 0.00 C ATOM 1134 CD LYS A 93 -2.256 9.593 -19.854 1.00 0.00 C ATOM 1135 CE LYS A 93 -3.166 10.781 -19.503 1.00 0.00 C ATOM 1136 NZ LYS A 93 -3.765 11.401 -20.718 1.00 0.00 N ATOM 0 H LYS A 93 1.367 9.311 -18.017 1.00 0.00 H new ATOM 0 HA LYS A 93 -0.349 7.259 -16.834 1.00 0.00 H new ATOM 0 HB2 LYS A 93 0.089 8.238 -19.703 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -1.126 7.072 -19.217 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -2.294 8.754 -17.866 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.011 9.920 -18.122 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -1.519 9.894 -20.599 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -2.845 8.789 -20.295 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -3.961 10.445 -18.838 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -2.591 11.530 -18.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -4.372 12.198 -20.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -3.007 11.745 -21.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -4.335 10.693 -21.224 1.00 0.00 H new ATOM 1150 N ASP A 94 2.498 6.496 -17.977 1.00 0.00 N ATOM 1151 CA ASP A 94 3.507 5.438 -18.145 1.00 0.00 C ATOM 1152 C ASP A 94 4.767 5.752 -17.293 1.00 0.00 C ATOM 1153 O ASP A 94 5.833 6.062 -17.838 1.00 0.00 O ATOM 1154 CB ASP A 94 3.815 5.279 -19.646 1.00 0.00 C ATOM 1155 CG ASP A 94 4.789 4.123 -19.941 1.00 0.00 C ATOM 1156 OD1 ASP A 94 4.706 3.064 -19.273 1.00 0.00 O ATOM 1157 OD2 ASP A 94 5.613 4.249 -20.880 1.00 0.00 O ATOM 0 H ASP A 94 2.920 7.418 -17.867 1.00 0.00 H new ATOM 0 HA ASP A 94 3.127 4.483 -17.781 1.00 0.00 H new ATOM 0 HB2 ASP A 94 2.884 5.109 -20.186 1.00 0.00 H new ATOM 0 HB3 ASP A 94 4.238 6.209 -20.025 1.00 0.00 H new ATOM 1162 N PRO A 95 4.652 5.730 -15.946 1.00 0.00 N ATOM 1163 CA PRO A 95 5.681 6.224 -15.026 1.00 0.00 C ATOM 1164 C PRO A 95 6.771 5.205 -14.658 1.00 0.00 C ATOM 1165 O PRO A 95 7.637 5.515 -13.847 1.00 0.00 O ATOM 1166 CB PRO A 95 4.891 6.670 -13.795 1.00 0.00 C ATOM 1167 CG PRO A 95 3.809 5.595 -13.715 1.00 0.00 C ATOM 1168 CD PRO A 95 3.453 5.385 -15.186 1.00 0.00 C ATOM 0 HA PRO A 95 6.255 7.023 -15.496 1.00 0.00 H new ATOM 0 HB2 PRO A 95 5.510 6.695 -12.898 1.00 0.00 H new ATOM 0 HB3 PRO A 95 4.469 7.667 -13.919 1.00 0.00 H new ATOM 0 HG2 PRO A 95 4.177 4.680 -13.251 1.00 0.00 H new ATOM 0 HG3 PRO A 95 2.950 5.925 -13.131 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.157 4.352 -15.372 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.612 6.015 -15.477 1.00 0.00 H new ATOM 1176 N SER A 96 6.763 3.997 -15.222 1.00 0.00 N ATOM 1177 CA SER A 96 7.711 2.909 -14.910 1.00 0.00 C ATOM 1178 C SER A 96 9.190 3.320 -14.716 1.00 0.00 C ATOM 1179 O SER A 96 9.767 2.903 -13.708 1.00 0.00 O ATOM 1180 CB SER A 96 7.611 1.809 -15.976 1.00 0.00 C ATOM 1181 OG SER A 96 6.278 1.317 -16.043 1.00 0.00 O ATOM 0 H SER A 96 6.079 3.733 -15.931 1.00 0.00 H new ATOM 0 HA SER A 96 7.399 2.550 -13.929 1.00 0.00 H new ATOM 0 HB2 SER A 96 7.911 2.203 -16.947 1.00 0.00 H new ATOM 0 HB3 SER A 96 8.296 0.996 -15.737 1.00 0.00 H new ATOM 0 HG SER A 96 6.222 0.617 -16.726 1.00 0.00 H new ATOM 1187 N PRO A 97 9.831 4.162 -15.564 1.00 0.00 N ATOM 1188 CA PRO A 97 11.229 4.562 -15.345 1.00 0.00 C ATOM 1189 C PRO A 97 11.432 5.524 -14.155 1.00 0.00 C ATOM 1190 O PRO A 97 12.521 5.573 -13.586 1.00 0.00 O ATOM 1191 CB PRO A 97 11.681 5.175 -16.674 1.00 0.00 C ATOM 1192 CG PRO A 97 10.392 5.745 -17.259 1.00 0.00 C ATOM 1193 CD PRO A 97 9.355 4.708 -16.836 1.00 0.00 C ATOM 0 HA PRO A 97 11.831 3.698 -15.063 1.00 0.00 H new ATOM 0 HB2 PRO A 97 12.431 5.951 -16.524 1.00 0.00 H new ATOM 0 HB3 PRO A 97 12.124 4.427 -17.331 1.00 0.00 H new ATOM 0 HG2 PRO A 97 10.166 6.733 -16.858 1.00 0.00 H new ATOM 0 HG3 PRO A 97 10.447 5.846 -18.343 1.00 0.00 H new ATOM 0 HD2 PRO A 97 8.371 5.163 -16.722 1.00 0.00 H new ATOM 0 HD3 PRO A 97 9.258 3.923 -17.586 1.00 0.00 H new ATOM 1201 N LEU A 98 10.392 6.250 -13.722 1.00 0.00 N ATOM 1202 CA LEU A 98 10.402 7.045 -12.486 1.00 0.00 C ATOM 1203 C LEU A 98 10.518 6.114 -11.266 1.00 0.00 C ATOM 1204 O LEU A 98 11.407 6.243 -10.423 1.00 0.00 O ATOM 1205 CB LEU A 98 9.093 7.864 -12.426 1.00 0.00 C ATOM 1206 CG LEU A 98 9.055 8.925 -11.320 1.00 0.00 C ATOM 1207 CD1 LEU A 98 9.755 10.190 -11.798 1.00 0.00 C ATOM 1208 CD2 LEU A 98 7.611 9.268 -10.959 1.00 0.00 C ATOM 0 H LEU A 98 9.508 6.302 -14.228 1.00 0.00 H new ATOM 0 HA LEU A 98 11.257 7.721 -12.476 1.00 0.00 H new ATOM 0 HB2 LEU A 98 8.942 8.355 -13.388 1.00 0.00 H new ATOM 0 HB3 LEU A 98 8.257 7.179 -12.283 1.00 0.00 H new ATOM 0 HG LEU A 98 9.562 8.526 -10.441 1.00 0.00 H new ATOM 0 HD11 LEU A 98 9.726 10.942 -11.009 1.00 0.00 H new ATOM 0 HD12 LEU A 98 10.792 9.961 -12.044 1.00 0.00 H new ATOM 0 HD13 LEU A 98 9.249 10.574 -12.684 1.00 0.00 H new ATOM 0 HD21 LEU A 98 7.602 10.023 -10.172 1.00 0.00 H new ATOM 0 HD22 LEU A 98 7.098 9.655 -11.839 1.00 0.00 H new ATOM 0 HD23 LEU A 98 7.101 8.371 -10.607 1.00 0.00 H new ATOM 1220 N TYR A 99 9.643 5.110 -11.215 1.00 0.00 N ATOM 1221 CA TYR A 99 9.663 4.114 -10.150 1.00 0.00 C ATOM 1222 C TYR A 99 10.970 3.312 -10.169 1.00 0.00 C ATOM 1223 O TYR A 99 11.531 3.042 -9.109 1.00 0.00 O ATOM 1224 CB TYR A 99 8.428 3.213 -10.269 1.00 0.00 C ATOM 1225 CG TYR A 99 7.136 3.838 -9.764 1.00 0.00 C ATOM 1226 CD1 TYR A 99 6.448 4.804 -10.530 1.00 0.00 C ATOM 1227 CD2 TYR A 99 6.606 3.420 -8.527 1.00 0.00 C ATOM 1228 CE1 TYR A 99 5.214 5.316 -10.078 1.00 0.00 C ATOM 1229 CE2 TYR A 99 5.377 3.934 -8.071 1.00 0.00 C ATOM 1230 CZ TYR A 99 4.668 4.870 -8.853 1.00 0.00 C ATOM 1231 OH TYR A 99 3.452 5.314 -8.427 1.00 0.00 O ATOM 0 H TYR A 99 8.907 4.967 -11.906 1.00 0.00 H new ATOM 0 HA TYR A 99 9.624 4.617 -9.184 1.00 0.00 H new ATOM 0 HB2 TYR A 99 8.297 2.935 -11.315 1.00 0.00 H new ATOM 0 HB3 TYR A 99 8.612 2.292 -9.715 1.00 0.00 H new ATOM 0 HD1 TYR A 99 6.867 5.151 -11.463 1.00 0.00 H new ATOM 0 HD2 TYR A 99 7.145 2.702 -7.926 1.00 0.00 H new ATOM 0 HE1 TYR A 99 4.686 6.050 -10.669 1.00 0.00 H new ATOM 0 HE2 TYR A 99 4.977 3.611 -7.121 1.00 0.00 H new ATOM 0 HH TYR A 99 3.555 6.188 -7.996 1.00 0.00 H new ATOM 1241 N ASP A 100 11.529 3.034 -11.351 1.00 0.00 N ATOM 1242 CA ASP A 100 12.863 2.442 -11.478 1.00 0.00 C ATOM 1243 C ASP A 100 13.957 3.320 -10.863 1.00 0.00 C ATOM 1244 O ASP A 100 14.770 2.823 -10.092 1.00 0.00 O ATOM 1245 CB ASP A 100 13.191 2.163 -12.940 1.00 0.00 C ATOM 1246 CG ASP A 100 14.346 1.154 -13.069 1.00 0.00 C ATOM 1247 OD1 ASP A 100 14.220 0.023 -12.538 1.00 0.00 O ATOM 1248 OD2 ASP A 100 15.377 1.488 -13.700 1.00 0.00 O ATOM 0 H ASP A 100 11.070 3.213 -12.244 1.00 0.00 H new ATOM 0 HA ASP A 100 12.841 1.505 -10.922 1.00 0.00 H new ATOM 0 HB2 ASP A 100 12.307 1.774 -13.446 1.00 0.00 H new ATOM 0 HB3 ASP A 100 13.460 3.094 -13.439 1.00 0.00 H new ATOM 1253 N MET A 101 13.953 4.631 -11.129 1.00 0.00 N ATOM 1254 CA MET A 101 14.922 5.549 -10.506 1.00 0.00 C ATOM 1255 C MET A 101 14.723 5.732 -8.993 1.00 0.00 C ATOM 1256 O MET A 101 15.705 5.957 -8.291 1.00 0.00 O ATOM 1257 CB MET A 101 15.184 6.842 -11.297 1.00 0.00 C ATOM 1258 CG MET A 101 14.154 7.954 -11.149 1.00 0.00 C ATOM 1259 SD MET A 101 14.058 8.794 -9.542 1.00 0.00 S ATOM 1260 CE MET A 101 12.461 9.626 -9.730 1.00 0.00 C ATOM 0 H MET A 101 13.296 5.081 -11.766 1.00 0.00 H new ATOM 0 HA MET A 101 15.877 5.028 -10.579 1.00 0.00 H new ATOM 0 HB2 MET A 101 16.155 7.235 -10.995 1.00 0.00 H new ATOM 0 HB3 MET A 101 15.259 6.585 -12.354 1.00 0.00 H new ATOM 0 HG2 MET A 101 14.358 8.706 -11.911 1.00 0.00 H new ATOM 0 HG3 MET A 101 13.172 7.535 -11.370 1.00 0.00 H new ATOM 0 HE1 MET A 101 12.113 9.969 -8.756 1.00 0.00 H new ATOM 0 HE2 MET A 101 12.572 10.480 -10.398 1.00 0.00 H new ATOM 0 HE3 MET A 101 11.735 8.930 -10.150 1.00 0.00 H new ATOM 1270 N LEU A 102 13.502 5.607 -8.458 1.00 0.00 N ATOM 1271 CA LEU A 102 13.232 5.670 -7.031 1.00 0.00 C ATOM 1272 C LEU A 102 13.728 4.383 -6.371 1.00 0.00 C ATOM 1273 O LEU A 102 14.466 4.468 -5.401 1.00 0.00 O ATOM 1274 CB LEU A 102 11.715 5.885 -6.793 1.00 0.00 C ATOM 1275 CG LEU A 102 11.174 7.244 -7.282 1.00 0.00 C ATOM 1276 CD1 LEU A 102 9.649 7.253 -7.389 1.00 0.00 C ATOM 1277 CD2 LEU A 102 11.540 8.408 -6.363 1.00 0.00 C ATOM 0 H LEU A 102 12.665 5.457 -9.021 1.00 0.00 H new ATOM 0 HA LEU A 102 13.760 6.512 -6.584 1.00 0.00 H new ATOM 0 HB2 LEU A 102 11.166 5.088 -7.295 1.00 0.00 H new ATOM 0 HB3 LEU A 102 11.511 5.790 -5.726 1.00 0.00 H new ATOM 0 HG LEU A 102 11.642 7.374 -8.258 1.00 0.00 H new ATOM 0 HD11 LEU A 102 9.314 8.230 -7.737 1.00 0.00 H new ATOM 0 HD12 LEU A 102 9.329 6.487 -8.096 1.00 0.00 H new ATOM 0 HD13 LEU A 102 9.214 7.048 -6.411 1.00 0.00 H new ATOM 0 HD21 LEU A 102 11.128 9.333 -6.766 1.00 0.00 H new ATOM 0 HD22 LEU A 102 11.129 8.230 -5.369 1.00 0.00 H new ATOM 0 HD23 LEU A 102 12.625 8.492 -6.297 1.00 0.00 H new ATOM 1289 N ARG A 103 13.458 3.201 -6.944 1.00 0.00 N ATOM 1290 CA ARG A 103 13.668 1.913 -6.258 1.00 0.00 C ATOM 1291 C ARG A 103 15.111 1.571 -5.874 1.00 0.00 C ATOM 1292 O ARG A 103 15.343 0.941 -4.843 1.00 0.00 O ATOM 1293 CB ARG A 103 12.939 0.797 -7.007 1.00 0.00 C ATOM 1294 CG ARG A 103 13.660 0.188 -8.212 1.00 0.00 C ATOM 1295 CD ARG A 103 12.758 -0.879 -8.830 1.00 0.00 C ATOM 1296 NE ARG A 103 13.253 -1.305 -10.155 1.00 0.00 N ATOM 1297 CZ ARG A 103 13.132 -2.484 -10.733 1.00 0.00 C ATOM 1298 NH1 ARG A 103 12.586 -3.515 -10.150 1.00 0.00 N ATOM 1299 NH2 ARG A 103 13.575 -2.620 -11.946 1.00 0.00 N ATOM 0 H ARG A 103 13.090 3.108 -7.891 1.00 0.00 H new ATOM 0 HA ARG A 103 13.216 2.024 -5.272 1.00 0.00 H new ATOM 0 HB2 ARG A 103 12.725 -0.004 -6.299 1.00 0.00 H new ATOM 0 HB3 ARG A 103 11.979 1.187 -7.347 1.00 0.00 H new ATOM 0 HG2 ARG A 103 13.890 0.961 -8.946 1.00 0.00 H new ATOM 0 HG3 ARG A 103 14.609 -0.251 -7.903 1.00 0.00 H new ATOM 0 HD2 ARG A 103 12.705 -1.742 -8.166 1.00 0.00 H new ATOM 0 HD3 ARG A 103 11.745 -0.489 -8.927 1.00 0.00 H new ATOM 0 HE ARG A 103 13.753 -0.596 -10.692 1.00 0.00 H new ATOM 0 HH11 ARG A 103 12.226 -3.432 -9.199 1.00 0.00 H new ATOM 0 HH12 ARG A 103 12.519 -4.404 -10.645 1.00 0.00 H new ATOM 0 HH21 ARG A 103 14.002 -1.827 -12.425 1.00 0.00 H new ATOM 0 HH22 ARG A 103 13.496 -3.520 -12.420 1.00 0.00 H new ATOM 1313 N LYS A 104 16.074 2.027 -6.682 1.00 0.00 N ATOM 1314 CA LYS A 104 17.518 1.997 -6.393 1.00 0.00 C ATOM 1315 C LYS A 104 18.093 3.262 -5.735 1.00 0.00 C ATOM 1316 O LYS A 104 19.227 3.222 -5.262 1.00 0.00 O ATOM 1317 CB LYS A 104 18.328 1.541 -7.623 1.00 0.00 C ATOM 1318 CG LYS A 104 17.863 1.950 -9.025 1.00 0.00 C ATOM 1319 CD LYS A 104 17.548 3.432 -9.255 1.00 0.00 C ATOM 1320 CE LYS A 104 18.578 4.539 -8.991 1.00 0.00 C ATOM 1321 NZ LYS A 104 19.839 4.346 -9.769 1.00 0.00 N ATOM 0 H LYS A 104 15.865 2.443 -7.590 1.00 0.00 H new ATOM 0 HA LYS A 104 17.630 1.243 -5.614 1.00 0.00 H new ATOM 0 HB2 LYS A 104 19.347 1.906 -7.497 1.00 0.00 H new ATOM 0 HB3 LYS A 104 18.374 0.452 -7.599 1.00 0.00 H new ATOM 0 HG2 LYS A 104 18.634 1.655 -9.736 1.00 0.00 H new ATOM 0 HG3 LYS A 104 16.970 1.374 -9.266 1.00 0.00 H new ATOM 0 HD2 LYS A 104 17.244 3.529 -10.297 1.00 0.00 H new ATOM 0 HD3 LYS A 104 16.675 3.665 -8.645 1.00 0.00 H new ATOM 0 HE2 LYS A 104 18.142 5.505 -9.246 1.00 0.00 H new ATOM 0 HE3 LYS A 104 18.812 4.566 -7.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 20.501 5.119 -9.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 20.272 3.437 -9.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 19.623 4.347 -10.786 1.00 0.00 H new ATOM 1335 N ASN A 105 17.353 4.377 -5.689 1.00 0.00 N ATOM 1336 CA ASN A 105 17.802 5.586 -4.982 1.00 0.00 C ATOM 1337 C ASN A 105 17.353 5.586 -3.516 1.00 0.00 C ATOM 1338 O ASN A 105 18.161 5.838 -2.621 1.00 0.00 O ATOM 1339 CB ASN A 105 17.323 6.839 -5.701 1.00 0.00 C ATOM 1340 CG ASN A 105 18.192 7.979 -5.227 1.00 0.00 C ATOM 1341 OD1 ASN A 105 17.914 8.646 -4.246 1.00 0.00 O ATOM 1342 ND2 ASN A 105 19.336 8.139 -5.845 1.00 0.00 N ATOM 0 H ASN A 105 16.439 4.468 -6.133 1.00 0.00 H new ATOM 0 HA ASN A 105 18.892 5.585 -4.986 1.00 0.00 H new ATOM 0 HB2 ASN A 105 17.402 6.718 -6.781 1.00 0.00 H new ATOM 0 HB3 ASN A 105 16.274 7.035 -5.478 1.00 0.00 H new ATOM 0 HD21 ASN A 105 20.007 8.829 -5.506 1.00 0.00 H new ATOM 0 HD22 ASN A 105 19.556 7.574 -6.665 1.00 0.00 H new ATOM 1349 N LEU A 106 16.073 5.270 -3.291 1.00 0.00 N ATOM 1350 CA LEU A 106 15.508 5.074 -1.948 1.00 0.00 C ATOM 1351 C LEU A 106 14.833 3.706 -1.747 1.00 0.00 C ATOM 1352 O LEU A 106 14.168 3.178 -2.638 1.00 0.00 O ATOM 1353 CB LEU A 106 14.609 6.256 -1.525 1.00 0.00 C ATOM 1354 CG LEU A 106 13.249 6.419 -2.236 1.00 0.00 C ATOM 1355 CD1 LEU A 106 12.265 7.158 -1.327 1.00 0.00 C ATOM 1356 CD2 LEU A 106 13.369 7.240 -3.516 1.00 0.00 C ATOM 0 H LEU A 106 15.393 5.142 -4.041 1.00 0.00 H new ATOM 0 HA LEU A 106 16.359 5.061 -1.267 1.00 0.00 H new ATOM 0 HB2 LEU A 106 14.419 6.165 -0.456 1.00 0.00 H new ATOM 0 HB3 LEU A 106 15.175 7.176 -1.671 1.00 0.00 H new ATOM 0 HG LEU A 106 12.901 5.414 -2.473 1.00 0.00 H new ATOM 0 HD11 LEU A 106 11.309 7.267 -1.839 1.00 0.00 H new ATOM 0 HD12 LEU A 106 12.122 6.590 -0.408 1.00 0.00 H new ATOM 0 HD13 LEU A 106 12.662 8.144 -1.086 1.00 0.00 H new ATOM 0 HD21 LEU A 106 12.389 7.330 -3.984 1.00 0.00 H new ATOM 0 HD22 LEU A 106 13.749 8.233 -3.277 1.00 0.00 H new ATOM 0 HD23 LEU A 106 14.055 6.745 -4.203 1.00 0.00 H new ATOM 1368 N VAL A 107 14.974 3.167 -0.532 1.00 0.00 N ATOM 1369 CA VAL A 107 14.315 1.933 -0.070 1.00 0.00 C ATOM 1370 C VAL A 107 13.529 2.255 1.204 1.00 0.00 C ATOM 1371 O VAL A 107 14.114 2.613 2.226 1.00 0.00 O ATOM 1372 CB VAL A 107 15.337 0.795 0.157 1.00 0.00 C ATOM 1373 CG1 VAL A 107 14.637 -0.507 0.569 1.00 0.00 C ATOM 1374 CG2 VAL A 107 16.152 0.501 -1.111 1.00 0.00 C ATOM 0 H VAL A 107 15.568 3.588 0.183 1.00 0.00 H new ATOM 0 HA VAL A 107 13.629 1.573 -0.837 1.00 0.00 H new ATOM 0 HB VAL A 107 15.999 1.138 0.952 1.00 0.00 H new ATOM 0 HG11 VAL A 107 15.382 -1.288 0.721 1.00 0.00 H new ATOM 0 HG12 VAL A 107 14.085 -0.346 1.495 1.00 0.00 H new ATOM 0 HG13 VAL A 107 13.946 -0.813 -0.216 1.00 0.00 H new ATOM 0 HG21 VAL A 107 16.859 -0.304 -0.911 1.00 0.00 H new ATOM 0 HG22 VAL A 107 15.479 0.202 -1.915 1.00 0.00 H new ATOM 0 HG23 VAL A 107 16.697 1.397 -1.409 1.00 0.00 H new ATOM 1384 N THR A 108 12.198 2.176 1.125 1.00 0.00 N ATOM 1385 CA THR A 108 11.267 2.551 2.211 1.00 0.00 C ATOM 1386 C THR A 108 10.910 1.359 3.125 1.00 0.00 C ATOM 1387 O THR A 108 11.491 0.277 3.015 1.00 0.00 O ATOM 1388 CB THR A 108 10.056 3.299 1.624 1.00 0.00 C ATOM 1389 OG1 THR A 108 9.293 3.887 2.656 1.00 0.00 O ATOM 1390 CG2 THR A 108 9.127 2.432 0.777 1.00 0.00 C ATOM 0 H THR A 108 11.719 1.843 0.288 1.00 0.00 H new ATOM 0 HA THR A 108 11.767 3.246 2.885 1.00 0.00 H new ATOM 0 HB THR A 108 10.485 4.053 0.964 1.00 0.00 H new ATOM 0 HG1 THR A 108 8.528 4.360 2.268 1.00 0.00 H new ATOM 0 HG21 THR A 108 8.302 3.039 0.404 1.00 0.00 H new ATOM 0 HG22 THR A 108 9.682 2.018 -0.065 1.00 0.00 H new ATOM 0 HG23 THR A 108 8.732 1.619 1.386 1.00 0.00 H new ATOM 1398 N LEU A 109 9.972 1.562 4.057 1.00 0.00 N ATOM 1399 CA LEU A 109 9.588 0.604 5.108 1.00 0.00 C ATOM 1400 C LEU A 109 8.928 -0.686 4.575 1.00 0.00 C ATOM 1401 O LEU A 109 8.979 -1.722 5.244 1.00 0.00 O ATOM 1402 CB LEU A 109 8.658 1.311 6.122 1.00 0.00 C ATOM 1403 CG LEU A 109 9.343 2.039 7.297 1.00 0.00 C ATOM 1404 CD1 LEU A 109 10.009 1.056 8.263 1.00 0.00 C ATOM 1405 CD2 LEU A 109 10.386 3.069 6.857 1.00 0.00 C ATOM 0 H LEU A 109 9.438 2.430 4.104 1.00 0.00 H new ATOM 0 HA LEU A 109 10.509 0.278 5.591 1.00 0.00 H new ATOM 0 HB2 LEU A 109 8.051 2.036 5.580 1.00 0.00 H new ATOM 0 HB3 LEU A 109 7.975 0.568 6.533 1.00 0.00 H new ATOM 0 HG LEU A 109 8.534 2.569 7.800 1.00 0.00 H new ATOM 0 HD11 LEU A 109 10.480 1.608 9.076 1.00 0.00 H new ATOM 0 HD12 LEU A 109 9.257 0.380 8.671 1.00 0.00 H new ATOM 0 HD13 LEU A 109 10.765 0.479 7.731 1.00 0.00 H new ATOM 0 HD21 LEU A 109 10.825 3.540 7.736 1.00 0.00 H new ATOM 0 HD22 LEU A 109 11.168 2.572 6.283 1.00 0.00 H new ATOM 0 HD23 LEU A 109 9.909 3.829 6.238 1.00 0.00 H new ATOM 1417 N ALA A 110 8.317 -0.644 3.386 1.00 0.00 N ATOM 1418 CA ALA A 110 7.678 -1.801 2.752 1.00 0.00 C ATOM 1419 C ALA A 110 8.699 -2.875 2.317 1.00 0.00 C ATOM 1420 O ALA A 110 9.758 -2.563 1.763 1.00 0.00 O ATOM 1421 CB ALA A 110 6.823 -1.308 1.577 1.00 0.00 C ATOM 0 H ALA A 110 8.252 0.208 2.829 1.00 0.00 H new ATOM 0 HA ALA A 110 7.037 -2.294 3.482 1.00 0.00 H new ATOM 0 HB1 ALA A 110 6.341 -2.159 1.095 1.00 0.00 H new ATOM 0 HB2 ALA A 110 6.062 -0.620 1.945 1.00 0.00 H new ATOM 0 HB3 ALA A 110 7.458 -0.794 0.855 1.00 0.00 H new ATOM 1427 N THR A 111 8.371 -4.149 2.560 1.00 0.00 N ATOM 1428 CA THR A 111 9.255 -5.309 2.337 1.00 0.00 C ATOM 1429 C THR A 111 8.506 -6.573 1.898 1.00 0.00 C ATOM 1430 O THR A 111 7.288 -6.707 2.097 1.00 0.00 O ATOM 1431 CB THR A 111 10.079 -5.574 3.607 1.00 0.00 C ATOM 1432 OG1 THR A 111 11.090 -6.530 3.349 1.00 0.00 O ATOM 1433 CG2 THR A 111 9.268 -6.073 4.808 1.00 0.00 C ATOM 0 H THR A 111 7.457 -4.414 2.928 1.00 0.00 H new ATOM 0 HA THR A 111 9.916 -5.057 1.508 1.00 0.00 H new ATOM 0 HB THR A 111 10.491 -4.600 3.871 1.00 0.00 H new ATOM 0 HG1 THR A 111 11.608 -6.687 4.166 1.00 0.00 H new ATOM 0 HG21 THR A 111 9.934 -6.232 5.656 1.00 0.00 H new ATOM 0 HG22 THR A 111 8.515 -5.331 5.072 1.00 0.00 H new ATOM 0 HG23 THR A 111 8.778 -7.012 4.551 1.00 0.00 H new TER 1441 THR A 111 HETATM 1442 N 48M A 200 -0.367 13.738 -11.780 1.00 0.00 N HETATM 1443 CG1 48M A 200 2.838 14.103 -10.910 1.00 0.00 C HETATM 1444 CG2 48M A 200 0.733 12.020 -10.323 1.00 0.00 C HETATM 1445 CG3 48M A 200 -0.422 15.302 -13.617 1.00 0.00 C HETATM 1446 CD1 48M A 200 3.306 14.262 -12.220 1.00 0.00 C HETATM 1447 CD2 48M A 200 3.661 13.469 -9.971 1.00 0.00 C HETATM 1448 CD3 48M A 200 0.205 11.298 -9.251 1.00 0.00 C HETATM 1449 CD4 48M A 200 1.548 11.357 -11.246 1.00 0.00 C HETATM 1450 CD5 48M A 200 -1.505 14.627 -14.204 1.00 0.00 C HETATM 1451 CD6 48M A 200 0.210 16.316 -14.362 1.00 0.00 C HETATM 1452 CE1 48M A 200 4.560 13.777 -12.589 1.00 0.00 C HETATM 1453 CE2 48M A 200 4.906 12.971 -10.345 1.00 0.00 C HETATM 1454 CE3 48M A 200 0.494 9.944 -9.090 1.00 0.00 C HETATM 1455 CE4 48M A 200 1.854 10.010 -11.076 1.00 0.00 C HETATM 1456 CE5 48M A 200 -2.003 15.000 -15.446 1.00 0.00 C HETATM 1457 CE6 48M A 200 -0.303 16.691 -15.609 1.00 0.00 C HETATM 1458 CZ1 48M A 200 5.354 13.127 -11.651 1.00 0.00 C HETATM 1459 CZ2 48M A 200 1.318 9.296 -10.006 1.00 0.00 C HETATM 1460 CZ3 48M A 200 -1.419 16.049 -16.142 1.00 0.00 C HETATM 1461 CL2 48M A 200 6.900 12.511 -12.103 1.00 0.00 CL HETATM 1462 CL1 48M A 200 2.915 9.226 -12.190 1.00 0.00 CL HETATM 1463 CM1 48M A 200 -1.985 16.461 -17.402 1.00 0.00 C HETATM 1464 CM2 48M A 200 3.131 16.468 -15.525 1.00 0.00 C HETATM 1465 CM3 48M A 200 3.357 18.235 -13.731 1.00 0.00 C HETATM 1466 NM1 48M A 200 -2.458 16.774 -18.395 1.00 0.00 N HETATM 1467 C1 48M A 200 -0.889 20.224 -11.048 1.00 0.00 C HETATM 1468 N1 48M A 200 -2.087 19.725 -10.711 1.00 0.00 N HETATM 1469 O1 48M A 200 -0.769 21.434 -11.079 1.00 0.00 O HETATM 1470 C2 48M A 200 -2.389 18.293 -10.633 1.00 0.00 C HETATM 1471 N2 48M A 200 -0.019 17.787 -11.311 1.00 0.00 N HETATM 1472 C3 48M A 200 -1.446 17.439 -11.498 1.00 0.00 C HETATM 1473 N3 48M A 200 0.861 15.597 -11.383 1.00 0.00 N HETATM 1474 C4 48M A 200 0.257 19.257 -11.345 1.00 0.00 C HETATM 1475 C5 48M A 200 0.992 16.904 -11.059 1.00 0.00 C HETATM 1476 O5 48M A 200 2.000 17.291 -10.499 1.00 0.00 O HETATM 1477 C6 48M A 200 -0.028 14.883 -12.232 1.00 0.00 C HETATM 1478 O6 48M A 200 1.364 16.911 -13.886 1.00 0.00 O HETATM 1479 C7 48M A 200 0.332 13.485 -10.501 1.00 0.00 C HETATM 1480 C8 48M A 200 1.442 14.580 -10.488 1.00 0.00 C HETATM 1481 C9 48M A 200 2.390 17.536 -14.697 1.00 0.00 C