USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 759 hydrogens (29 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 72 HIS : no HD1:sc= -0.062 K(o=-0.062,f=-0.74) USER MOD Set 1.2: A 91 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 73 MET CE :methyl -156:sc=-0.00708 (180deg=-0.273) USER MOD Set 2.2: A 75 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 59 TYR OH : rot -8:sc= 1.26 USER MOD Set 3.2: A 63 LYS NZ :NH3+ -148:sc= 1.18 (180deg=0.551) USER MOD Set 4.1: A 35 LYS NZ :NH3+ 154:sc= 0.192 (180deg=0) USER MOD Set 4.2: A 38 HIS : no HD1:sc= -0.81 X(o=-0.62,f=-0.54) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 25 ASN : amide:sc= 0.15 X(o=0.15,f=0) USER MOD Single : A 26 GLN : amide:sc= 0.629 K(o=0.63,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 (180deg=-0.106) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0712 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 161:sc= -0.556 (180deg=-2.32) USER MOD Single : A 54 HIS : no HD1:sc= -0.0107 X(o=-0.011,f=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN :FLIP amide:sc= -0.0136 F(o=-1.2,f=-0.014) USER MOD Single : A 61 MET CE :methyl -173:sc= -1.3 (180deg=-1.44) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 69 GLN : amide:sc= 0.508 K(o=0.51,f=-0.011) USER MOD Single : A 71 GLN : amide:sc= 0.895 K(o=0.9,f=-0.31) USER MOD Single : A 76 CYS SG : rot 180:sc= -0.132 USER MOD Single : A 88 GLN : amide:sc= -0.0529 X(o=-0.053,f=-0.27) USER MOD Single : A 89 SER OG : rot 180:sc= 0 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 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl -104:sc= 0 (180deg=-0.295) USER MOD Single : A 104 LYS NZ :NH3+ -165:sc= 1.15 (180deg=0.98) USER MOD Single : A 105 ASN : amide:sc= 1.19 K(o=1.2,f=-2.3) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 23 3.637 12.786 12.532 1.00 0.00 N ATOM 2 CA GLN A 23 5.024 13.243 12.393 1.00 0.00 C ATOM 3 C GLN A 23 5.716 12.643 11.148 1.00 0.00 C ATOM 4 O GLN A 23 5.145 11.819 10.423 1.00 0.00 O ATOM 5 CB GLN A 23 5.818 12.924 13.680 1.00 0.00 C ATOM 6 CG GLN A 23 5.240 13.609 14.934 1.00 0.00 C ATOM 7 CD GLN A 23 6.059 13.360 16.205 1.00 0.00 C ATOM 8 OE1 GLN A 23 7.070 12.665 16.230 1.00 0.00 O ATOM 9 NE2 GLN A 23 5.655 13.923 17.326 1.00 0.00 N ATOM 0 HA GLN A 23 5.005 14.323 12.248 1.00 0.00 H new ATOM 0 HB2 GLN A 23 5.828 11.845 13.835 1.00 0.00 H new ATOM 0 HB3 GLN A 23 6.854 13.237 13.547 1.00 0.00 H new ATOM 0 HG2 GLN A 23 5.180 14.683 14.756 1.00 0.00 H new ATOM 0 HG3 GLN A 23 4.221 13.255 15.094 1.00 0.00 H new ATOM 0 HE21 GLN A 23 4.818 14.505 17.331 1.00 0.00 H new ATOM 0 HE22 GLN A 23 6.180 13.776 18.188 1.00 0.00 H new ATOM 18 N ILE A 24 6.963 13.058 10.900 1.00 0.00 N ATOM 19 CA ILE A 24 7.817 12.582 9.798 1.00 0.00 C ATOM 20 C ILE A 24 7.977 11.052 9.877 1.00 0.00 C ATOM 21 O ILE A 24 8.396 10.511 10.904 1.00 0.00 O ATOM 22 CB ILE A 24 9.187 13.301 9.852 1.00 0.00 C ATOM 23 CG1 ILE A 24 9.036 14.834 9.682 1.00 0.00 C ATOM 24 CG2 ILE A 24 10.156 12.769 8.779 1.00 0.00 C ATOM 25 CD1 ILE A 24 10.166 15.607 10.372 1.00 0.00 C ATOM 0 H ILE A 24 7.425 13.759 11.479 1.00 0.00 H new ATOM 0 HA ILE A 24 7.348 12.818 8.842 1.00 0.00 H new ATOM 0 HB ILE A 24 9.601 13.091 10.838 1.00 0.00 H new ATOM 0 HG12 ILE A 24 9.025 15.081 8.620 1.00 0.00 H new ATOM 0 HG13 ILE A 24 8.078 15.151 10.093 1.00 0.00 H new ATOM 0 HG21 ILE A 24 11.105 13.300 8.851 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.323 11.703 8.936 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.726 12.927 7.790 1.00 0.00 H new ATOM 0 HD11 ILE A 24 10.017 16.677 10.225 1.00 0.00 H new ATOM 0 HD12 ILE A 24 10.162 15.383 11.439 1.00 0.00 H new ATOM 0 HD13 ILE A 24 11.124 15.312 9.943 1.00 0.00 H new ATOM 37 N ASN A 25 7.642 10.358 8.785 1.00 0.00 N ATOM 38 CA ASN A 25 7.756 8.899 8.660 1.00 0.00 C ATOM 39 C ASN A 25 9.106 8.468 8.055 1.00 0.00 C ATOM 40 O ASN A 25 9.865 9.282 7.523 1.00 0.00 O ATOM 41 CB ASN A 25 6.562 8.361 7.852 1.00 0.00 C ATOM 42 CG ASN A 25 5.350 8.039 8.717 1.00 0.00 C ATOM 43 OD1 ASN A 25 4.944 6.891 8.841 1.00 0.00 O ATOM 44 ND2 ASN A 25 4.734 9.010 9.354 1.00 0.00 N ATOM 0 H ASN A 25 7.276 10.804 7.944 1.00 0.00 H new ATOM 0 HA ASN A 25 7.729 8.462 9.658 1.00 0.00 H new ATOM 0 HB2 ASN A 25 6.279 9.098 7.100 1.00 0.00 H new ATOM 0 HB3 ASN A 25 6.868 7.462 7.318 1.00 0.00 H new ATOM 0 HD21 ASN A 25 3.928 8.802 9.943 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.062 9.971 9.259 1.00 0.00 H new ATOM 51 N GLN A 26 9.408 7.168 8.141 1.00 0.00 N ATOM 52 CA GLN A 26 10.714 6.624 7.807 1.00 0.00 C ATOM 53 C GLN A 26 10.993 6.618 6.300 1.00 0.00 C ATOM 54 O GLN A 26 10.243 6.077 5.485 1.00 0.00 O ATOM 55 CB GLN A 26 10.836 5.214 8.417 1.00 0.00 C ATOM 56 CG GLN A 26 9.753 4.216 7.938 1.00 0.00 C ATOM 57 CD GLN A 26 10.342 3.045 7.153 1.00 0.00 C ATOM 58 OE1 GLN A 26 10.590 1.964 7.674 1.00 0.00 O ATOM 59 NE2 GLN A 26 10.601 3.220 5.875 1.00 0.00 N ATOM 0 H GLN A 26 8.739 6.462 8.449 1.00 0.00 H new ATOM 0 HA GLN A 26 11.476 7.275 8.235 1.00 0.00 H new ATOM 0 HB2 GLN A 26 11.819 4.810 8.174 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.784 5.295 9.503 1.00 0.00 H new ATOM 0 HG2 GLN A 26 9.209 3.833 8.802 1.00 0.00 H new ATOM 0 HG3 GLN A 26 9.031 4.741 7.313 1.00 0.00 H new ATOM 0 HE21 GLN A 26 10.398 4.116 5.432 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.004 2.460 5.328 1.00 0.00 H new ATOM 68 N VAL A 27 12.146 7.179 5.963 1.00 0.00 N ATOM 69 CA VAL A 27 12.704 7.285 4.600 1.00 0.00 C ATOM 70 C VAL A 27 14.204 7.627 4.602 1.00 0.00 C ATOM 71 O VAL A 27 14.735 8.113 5.602 1.00 0.00 O ATOM 72 CB VAL A 27 11.903 8.341 3.806 1.00 0.00 C ATOM 73 CG1 VAL A 27 12.044 9.738 4.409 1.00 0.00 C ATOM 74 CG2 VAL A 27 12.255 8.368 2.310 1.00 0.00 C ATOM 0 H VAL A 27 12.759 7.598 6.662 1.00 0.00 H new ATOM 0 HA VAL A 27 12.612 6.311 4.120 1.00 0.00 H new ATOM 0 HB VAL A 27 10.861 8.033 3.886 1.00 0.00 H new ATOM 0 HG11 VAL A 27 11.465 10.449 3.820 1.00 0.00 H new ATOM 0 HG12 VAL A 27 11.674 9.731 5.434 1.00 0.00 H new ATOM 0 HG13 VAL A 27 13.094 10.032 4.404 1.00 0.00 H new ATOM 0 HG21 VAL A 27 11.658 9.131 1.810 1.00 0.00 H new ATOM 0 HG22 VAL A 27 13.313 8.599 2.189 1.00 0.00 H new ATOM 0 HG23 VAL A 27 12.043 7.394 1.869 1.00 0.00 H new ATOM 84 N ARG A 28 14.867 7.440 3.451 1.00 0.00 N ATOM 85 CA ARG A 28 16.226 7.923 3.161 1.00 0.00 C ATOM 86 C ARG A 28 16.385 8.099 1.630 1.00 0.00 C ATOM 87 O ARG A 28 16.289 7.104 0.909 1.00 0.00 O ATOM 88 CB ARG A 28 17.232 6.901 3.744 1.00 0.00 C ATOM 89 CG ARG A 28 18.721 7.173 3.464 1.00 0.00 C ATOM 90 CD ARG A 28 19.213 8.553 3.918 1.00 0.00 C ATOM 91 NE ARG A 28 18.968 8.798 5.357 1.00 0.00 N ATOM 92 CZ ARG A 28 19.762 8.499 6.373 1.00 0.00 C ATOM 93 NH1 ARG A 28 20.912 7.907 6.210 1.00 0.00 N ATOM 94 NH2 ARG A 28 19.408 8.793 7.591 1.00 0.00 N ATOM 0 H ARG A 28 14.457 6.930 2.668 1.00 0.00 H new ATOM 0 HA ARG A 28 16.416 8.893 3.621 1.00 0.00 H new ATOM 0 HB2 ARG A 28 17.089 6.858 4.824 1.00 0.00 H new ATOM 0 HB3 ARG A 28 16.985 5.915 3.351 1.00 0.00 H new ATOM 0 HG2 ARG A 28 19.317 6.407 3.961 1.00 0.00 H new ATOM 0 HG3 ARG A 28 18.901 7.071 2.394 1.00 0.00 H new ATOM 0 HD2 ARG A 28 20.280 8.639 3.715 1.00 0.00 H new ATOM 0 HD3 ARG A 28 18.714 9.324 3.331 1.00 0.00 H new ATOM 0 HE ARG A 28 18.085 9.250 5.593 1.00 0.00 H new ATOM 0 HH11 ARG A 28 21.229 7.657 5.273 1.00 0.00 H new ATOM 0 HH12 ARG A 28 21.495 7.694 7.019 1.00 0.00 H new ATOM 0 HH21 ARG A 28 18.516 9.256 7.765 1.00 0.00 H new ATOM 0 HH22 ARG A 28 20.023 8.561 8.371 1.00 0.00 H new ATOM 108 N PRO A 29 16.565 9.333 1.118 1.00 0.00 N ATOM 109 CA PRO A 29 16.734 9.624 -0.312 1.00 0.00 C ATOM 110 C PRO A 29 18.210 9.524 -0.757 1.00 0.00 C ATOM 111 O PRO A 29 19.092 9.147 0.018 1.00 0.00 O ATOM 112 CB PRO A 29 16.158 11.040 -0.463 1.00 0.00 C ATOM 113 CG PRO A 29 16.635 11.703 0.823 1.00 0.00 C ATOM 114 CD PRO A 29 16.448 10.589 1.849 1.00 0.00 C ATOM 0 HA PRO A 29 16.226 8.904 -0.953 1.00 0.00 H new ATOM 0 HB2 PRO A 29 16.539 11.545 -1.350 1.00 0.00 H new ATOM 0 HB3 PRO A 29 15.071 11.034 -0.542 1.00 0.00 H new ATOM 0 HG2 PRO A 29 17.675 12.023 0.755 1.00 0.00 H new ATOM 0 HG3 PRO A 29 16.045 12.586 1.069 1.00 0.00 H new ATOM 0 HD2 PRO A 29 17.202 10.653 2.634 1.00 0.00 H new ATOM 0 HD3 PRO A 29 15.475 10.667 2.334 1.00 0.00 H new ATOM 122 N LYS A 30 18.470 9.896 -2.018 1.00 0.00 N ATOM 123 CA LYS A 30 19.800 9.947 -2.657 1.00 0.00 C ATOM 124 C LYS A 30 20.136 11.377 -3.076 1.00 0.00 C ATOM 125 O LYS A 30 19.242 12.089 -3.518 1.00 0.00 O ATOM 126 CB LYS A 30 19.791 8.953 -3.816 1.00 0.00 C ATOM 127 CG LYS A 30 21.208 8.433 -4.058 1.00 0.00 C ATOM 128 CD LYS A 30 21.132 7.148 -4.867 1.00 0.00 C ATOM 129 CE LYS A 30 22.525 6.675 -5.222 1.00 0.00 C ATOM 130 NZ LYS A 30 23.151 5.830 -4.165 1.00 0.00 N ATOM 0 H LYS A 30 17.726 10.184 -2.654 1.00 0.00 H new ATOM 0 HA LYS A 30 20.591 9.658 -1.965 1.00 0.00 H new ATOM 0 HB2 LYS A 30 19.122 8.123 -3.591 1.00 0.00 H new ATOM 0 HB3 LYS A 30 19.410 9.434 -4.717 1.00 0.00 H new ATOM 0 HG2 LYS A 30 21.797 9.179 -4.591 1.00 0.00 H new ATOM 0 HG3 LYS A 30 21.710 8.251 -3.108 1.00 0.00 H new ATOM 0 HD2 LYS A 30 20.613 6.379 -4.295 1.00 0.00 H new ATOM 0 HD3 LYS A 30 20.553 7.315 -5.776 1.00 0.00 H new ATOM 0 HE2 LYS A 30 22.482 6.108 -6.152 1.00 0.00 H new ATOM 0 HE3 LYS A 30 23.159 7.542 -5.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 24.102 5.540 -4.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 23.222 6.375 -3.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 22.566 4.985 -4.004 1.00 0.00 H new ATOM 144 N LEU A 31 21.395 11.801 -2.990 1.00 0.00 N ATOM 145 CA LEU A 31 21.798 13.217 -3.141 1.00 0.00 C ATOM 146 C LEU A 31 21.314 13.929 -4.429 1.00 0.00 C ATOM 147 O LEU A 31 20.662 14.968 -4.306 1.00 0.00 O ATOM 148 CB LEU A 31 23.318 13.336 -2.901 1.00 0.00 C ATOM 149 CG LEU A 31 23.888 14.769 -2.976 1.00 0.00 C ATOM 150 CD1 LEU A 31 23.252 15.714 -1.953 1.00 0.00 C ATOM 151 CD2 LEU A 31 25.394 14.733 -2.718 1.00 0.00 C ATOM 0 H LEU A 31 22.179 11.173 -2.812 1.00 0.00 H new ATOM 0 HA LEU A 31 21.264 13.778 -2.374 1.00 0.00 H new ATOM 0 HB2 LEU A 31 23.548 12.922 -1.919 1.00 0.00 H new ATOM 0 HB3 LEU A 31 23.835 12.718 -3.636 1.00 0.00 H new ATOM 0 HG LEU A 31 23.662 15.146 -3.974 1.00 0.00 H new ATOM 0 HD11 LEU A 31 23.691 16.707 -2.052 1.00 0.00 H new ATOM 0 HD12 LEU A 31 22.178 15.773 -2.131 1.00 0.00 H new ATOM 0 HD13 LEU A 31 23.433 15.336 -0.947 1.00 0.00 H new ATOM 0 HD21 LEU A 31 25.796 15.745 -2.771 1.00 0.00 H new ATOM 0 HD22 LEU A 31 25.584 14.318 -1.728 1.00 0.00 H new ATOM 0 HD23 LEU A 31 25.877 14.110 -3.471 1.00 0.00 H new ATOM 163 N PRO A 32 21.525 13.398 -5.650 1.00 0.00 N ATOM 164 CA PRO A 32 21.046 14.046 -6.879 1.00 0.00 C ATOM 165 C PRO A 32 19.517 14.022 -7.062 1.00 0.00 C ATOM 166 O PRO A 32 19.009 14.698 -7.955 1.00 0.00 O ATOM 167 CB PRO A 32 21.783 13.336 -8.020 1.00 0.00 C ATOM 168 CG PRO A 32 22.049 11.943 -7.454 1.00 0.00 C ATOM 169 CD PRO A 32 22.338 12.234 -5.986 1.00 0.00 C ATOM 0 HA PRO A 32 21.262 15.114 -6.848 1.00 0.00 H new ATOM 0 HB2 PRO A 32 21.177 13.293 -8.925 1.00 0.00 H new ATOM 0 HB3 PRO A 32 22.709 13.848 -8.280 1.00 0.00 H new ATOM 0 HG2 PRO A 32 21.189 11.284 -7.576 1.00 0.00 H new ATOM 0 HG3 PRO A 32 22.893 11.459 -7.946 1.00 0.00 H new ATOM 0 HD2 PRO A 32 22.079 11.381 -5.359 1.00 0.00 H new ATOM 0 HD3 PRO A 32 23.397 12.437 -5.828 1.00 0.00 H new ATOM 177 N LEU A 33 18.777 13.291 -6.215 1.00 0.00 N ATOM 178 CA LEU A 33 17.308 13.254 -6.181 1.00 0.00 C ATOM 179 C LEU A 33 16.780 14.173 -5.063 1.00 0.00 C ATOM 180 O LEU A 33 15.922 15.010 -5.310 1.00 0.00 O ATOM 181 CB LEU A 33 16.875 11.769 -6.113 1.00 0.00 C ATOM 182 CG LEU A 33 15.373 11.432 -6.248 1.00 0.00 C ATOM 183 CD1 LEU A 33 14.683 11.488 -4.888 1.00 0.00 C ATOM 184 CD2 LEU A 33 14.609 12.363 -7.191 1.00 0.00 C ATOM 0 H LEU A 33 19.201 12.688 -5.510 1.00 0.00 H new ATOM 0 HA LEU A 33 16.852 13.662 -7.083 1.00 0.00 H new ATOM 0 HB2 LEU A 33 17.407 11.232 -6.898 1.00 0.00 H new ATOM 0 HB3 LEU A 33 17.221 11.366 -5.161 1.00 0.00 H new ATOM 0 HG LEU A 33 15.349 10.427 -6.669 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.626 11.248 -5.006 1.00 0.00 H new ATOM 0 HD12 LEU A 33 15.146 10.767 -4.215 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.783 12.490 -4.470 1.00 0.00 H new ATOM 0 HD21 LEU A 33 13.563 12.061 -7.232 1.00 0.00 H new ATOM 0 HD22 LEU A 33 14.677 13.387 -6.825 1.00 0.00 H new ATOM 0 HD23 LEU A 33 15.042 12.305 -8.189 1.00 0.00 H new ATOM 196 N LEU A 34 17.364 14.115 -3.862 1.00 0.00 N ATOM 197 CA LEU A 34 17.170 15.064 -2.750 1.00 0.00 C ATOM 198 C LEU A 34 17.270 16.516 -3.234 1.00 0.00 C ATOM 199 O LEU A 34 16.436 17.339 -2.871 1.00 0.00 O ATOM 200 CB LEU A 34 18.268 14.749 -1.729 1.00 0.00 C ATOM 201 CG LEU A 34 18.431 15.653 -0.490 1.00 0.00 C ATOM 202 CD1 LEU A 34 19.615 15.022 0.259 1.00 0.00 C ATOM 203 CD2 LEU A 34 18.906 17.083 -0.758 1.00 0.00 C ATOM 0 H LEU A 34 18.018 13.370 -3.622 1.00 0.00 H new ATOM 0 HA LEU A 34 16.178 14.958 -2.312 1.00 0.00 H new ATOM 0 HB2 LEU A 34 18.102 13.732 -1.373 1.00 0.00 H new ATOM 0 HB3 LEU A 34 19.219 14.749 -2.261 1.00 0.00 H new ATOM 0 HG LEU A 34 17.459 15.715 -0.001 1.00 0.00 H new ATOM 0 HD11 LEU A 34 19.818 15.593 1.165 1.00 0.00 H new ATOM 0 HD12 LEU A 34 19.371 13.993 0.525 1.00 0.00 H new ATOM 0 HD13 LEU A 34 20.497 15.032 -0.381 1.00 0.00 H new ATOM 0 HD21 LEU A 34 18.984 17.623 0.185 1.00 0.00 H new ATOM 0 HD22 LEU A 34 19.882 17.057 -1.243 1.00 0.00 H new ATOM 0 HD23 LEU A 34 18.191 17.588 -1.408 1.00 0.00 H new ATOM 215 N LYS A 35 18.254 16.842 -4.082 1.00 0.00 N ATOM 216 CA LYS A 35 18.405 18.194 -4.654 1.00 0.00 C ATOM 217 C LYS A 35 17.215 18.611 -5.529 1.00 0.00 C ATOM 218 O LYS A 35 16.826 19.774 -5.470 1.00 0.00 O ATOM 219 CB LYS A 35 19.752 18.307 -5.389 1.00 0.00 C ATOM 220 CG LYS A 35 20.976 18.412 -4.455 1.00 0.00 C ATOM 221 CD LYS A 35 21.112 19.750 -3.696 1.00 0.00 C ATOM 222 CE LYS A 35 20.480 19.742 -2.290 1.00 0.00 C ATOM 223 NZ LYS A 35 20.592 21.067 -1.616 1.00 0.00 N ATOM 0 H LYS A 35 18.967 16.182 -4.392 1.00 0.00 H new ATOM 0 HA LYS A 35 18.408 18.907 -3.830 1.00 0.00 H new ATOM 0 HB2 LYS A 35 19.875 17.437 -6.034 1.00 0.00 H new ATOM 0 HB3 LYS A 35 19.727 19.183 -6.037 1.00 0.00 H new ATOM 0 HG2 LYS A 35 20.927 17.603 -3.726 1.00 0.00 H new ATOM 0 HG3 LYS A 35 21.878 18.255 -5.046 1.00 0.00 H new ATOM 0 HD2 LYS A 35 22.169 19.999 -3.606 1.00 0.00 H new ATOM 0 HD3 LYS A 35 20.648 20.540 -4.287 1.00 0.00 H new ATOM 0 HE2 LYS A 35 19.429 19.463 -2.367 1.00 0.00 H new ATOM 0 HE3 LYS A 35 20.967 18.983 -1.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 19.824 21.170 -0.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 21.509 21.133 -1.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 20.521 21.824 -2.325 1.00 0.00 H new ATOM 237 N ILE A 36 16.563 17.677 -6.234 1.00 0.00 N ATOM 238 CA ILE A 36 15.275 17.935 -6.911 1.00 0.00 C ATOM 239 C ILE A 36 14.218 18.275 -5.860 1.00 0.00 C ATOM 240 O ILE A 36 13.449 19.214 -6.032 1.00 0.00 O ATOM 241 CB ILE A 36 14.793 16.732 -7.754 1.00 0.00 C ATOM 242 CG1 ILE A 36 15.882 16.172 -8.685 1.00 0.00 C ATOM 243 CG2 ILE A 36 13.551 17.106 -8.578 1.00 0.00 C ATOM 244 CD1 ILE A 36 16.656 17.205 -9.507 1.00 0.00 C ATOM 0 H ILE A 36 16.907 16.724 -6.354 1.00 0.00 H new ATOM 0 HA ILE A 36 15.425 18.769 -7.597 1.00 0.00 H new ATOM 0 HB ILE A 36 14.540 15.947 -7.042 1.00 0.00 H new ATOM 0 HG12 ILE A 36 16.594 15.609 -8.082 1.00 0.00 H new ATOM 0 HG13 ILE A 36 15.417 15.465 -9.372 1.00 0.00 H new ATOM 0 HG21 ILE A 36 13.230 16.244 -9.163 1.00 0.00 H new ATOM 0 HG22 ILE A 36 12.747 17.409 -7.907 1.00 0.00 H new ATOM 0 HG23 ILE A 36 13.794 17.930 -9.249 1.00 0.00 H new ATOM 0 HD11 ILE A 36 17.396 16.697 -10.125 1.00 0.00 H new ATOM 0 HD12 ILE A 36 15.964 17.754 -10.146 1.00 0.00 H new ATOM 0 HD13 ILE A 36 17.160 17.901 -8.836 1.00 0.00 H new ATOM 256 N LEU A 37 14.218 17.545 -4.742 1.00 0.00 N ATOM 257 CA LEU A 37 13.240 17.686 -3.664 1.00 0.00 C ATOM 258 C LEU A 37 13.342 19.033 -2.940 1.00 0.00 C ATOM 259 O LEU A 37 12.342 19.738 -2.810 1.00 0.00 O ATOM 260 CB LEU A 37 13.240 16.431 -2.775 1.00 0.00 C ATOM 261 CG LEU A 37 12.894 15.155 -3.576 1.00 0.00 C ATOM 262 CD1 LEU A 37 13.030 13.915 -2.710 1.00 0.00 C ATOM 263 CD2 LEU A 37 11.467 15.167 -4.112 1.00 0.00 C ATOM 0 H LEU A 37 14.915 16.823 -4.558 1.00 0.00 H new ATOM 0 HA LEU A 37 12.238 17.732 -4.091 1.00 0.00 H new ATOM 0 HB2 LEU A 37 14.220 16.314 -2.312 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.519 16.559 -1.967 1.00 0.00 H new ATOM 0 HG LEU A 37 13.597 15.136 -4.408 1.00 0.00 H new ATOM 0 HD11 LEU A 37 12.781 13.032 -3.298 1.00 0.00 H new ATOM 0 HD12 LEU A 37 14.055 13.834 -2.349 1.00 0.00 H new ATOM 0 HD13 LEU A 37 12.351 13.989 -1.860 1.00 0.00 H new ATOM 0 HD21 LEU A 37 11.279 14.247 -4.666 1.00 0.00 H new ATOM 0 HD22 LEU A 37 10.766 15.239 -3.280 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.334 16.023 -4.774 1.00 0.00 H new ATOM 275 N HIS A 38 14.551 19.465 -2.583 1.00 0.00 N ATOM 276 CA HIS A 38 14.792 20.822 -2.067 1.00 0.00 C ATOM 277 C HIS A 38 14.426 21.893 -3.118 1.00 0.00 C ATOM 278 O HIS A 38 13.713 22.843 -2.799 1.00 0.00 O ATOM 279 CB HIS A 38 16.270 20.979 -1.681 1.00 0.00 C ATOM 280 CG HIS A 38 16.712 20.264 -0.425 1.00 0.00 C ATOM 281 ND1 HIS A 38 17.930 20.493 0.221 1.00 0.00 N ATOM 282 CD2 HIS A 38 16.023 19.305 0.262 1.00 0.00 C ATOM 283 CE1 HIS A 38 17.943 19.674 1.287 1.00 0.00 C ATOM 284 NE2 HIS A 38 16.816 18.941 1.328 1.00 0.00 N ATOM 0 H HIS A 38 15.392 18.890 -2.641 1.00 0.00 H new ATOM 0 HA HIS A 38 14.160 20.964 -1.190 1.00 0.00 H new ATOM 0 HB2 HIS A 38 16.880 20.623 -2.511 1.00 0.00 H new ATOM 0 HB3 HIS A 38 16.482 22.042 -1.563 1.00 0.00 H new ATOM 0 HD2 HIS A 38 15.048 18.910 0.017 1.00 0.00 H new ATOM 0 HE1 HIS A 38 18.745 19.613 2.008 1.00 0.00 H new ATOM 0 HE2 HIS A 38 16.588 18.236 2.029 1.00 0.00 H new ATOM 292 N ALA A 39 14.852 21.736 -4.383 1.00 0.00 N ATOM 293 CA ALA A 39 14.588 22.711 -5.453 1.00 0.00 C ATOM 294 C ALA A 39 13.089 22.844 -5.795 1.00 0.00 C ATOM 295 O ALA A 39 12.624 23.930 -6.148 1.00 0.00 O ATOM 296 CB ALA A 39 15.402 22.319 -6.691 1.00 0.00 C ATOM 0 H ALA A 39 15.391 20.927 -4.692 1.00 0.00 H new ATOM 0 HA ALA A 39 14.896 23.694 -5.096 1.00 0.00 H new ATOM 0 HB1 ALA A 39 15.214 23.035 -7.491 1.00 0.00 H new ATOM 0 HB2 ALA A 39 16.464 22.321 -6.444 1.00 0.00 H new ATOM 0 HB3 ALA A 39 15.108 21.322 -7.019 1.00 0.00 H new ATOM 302 N ALA A 40 12.319 21.765 -5.626 1.00 0.00 N ATOM 303 CA ALA A 40 10.855 21.759 -5.722 1.00 0.00 C ATOM 304 C ALA A 40 10.142 22.566 -4.612 1.00 0.00 C ATOM 305 O ALA A 40 8.938 22.815 -4.716 1.00 0.00 O ATOM 306 CB ALA A 40 10.379 20.304 -5.697 1.00 0.00 C ATOM 0 H ALA A 40 12.707 20.846 -5.413 1.00 0.00 H new ATOM 0 HA ALA A 40 10.591 22.255 -6.656 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.292 20.276 -5.767 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.811 19.765 -6.540 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.695 19.834 -4.766 1.00 0.00 H new ATOM 312 N GLY A 41 10.864 22.964 -3.556 1.00 0.00 N ATOM 313 CA GLY A 41 10.365 23.769 -2.436 1.00 0.00 C ATOM 314 C GLY A 41 10.638 23.177 -1.046 1.00 0.00 C ATOM 315 O GLY A 41 10.315 23.827 -0.047 1.00 0.00 O ATOM 0 H GLY A 41 11.850 22.724 -3.456 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.817 24.759 -2.489 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.290 23.903 -2.554 1.00 0.00 H new ATOM 319 N ALA A 42 11.217 21.971 -0.952 1.00 0.00 N ATOM 320 CA ALA A 42 11.530 21.333 0.326 1.00 0.00 C ATOM 321 C ALA A 42 12.832 21.861 0.981 1.00 0.00 C ATOM 322 O ALA A 42 13.485 22.799 0.518 1.00 0.00 O ATOM 323 CB ALA A 42 11.530 19.806 0.140 1.00 0.00 C ATOM 0 H ALA A 42 11.480 21.413 -1.764 1.00 0.00 H new ATOM 0 HA ALA A 42 10.750 21.602 1.039 1.00 0.00 H new ATOM 0 HB1 ALA A 42 11.763 19.324 1.089 1.00 0.00 H new ATOM 0 HB2 ALA A 42 10.547 19.481 -0.201 1.00 0.00 H new ATOM 0 HB3 ALA A 42 12.280 19.530 -0.601 1.00 0.00 H new ATOM 329 N GLN A 43 13.182 21.213 2.089 1.00 0.00 N ATOM 330 CA GLN A 43 14.310 21.457 2.999 1.00 0.00 C ATOM 331 C GLN A 43 14.356 20.304 4.026 1.00 0.00 C ATOM 332 O GLN A 43 13.318 19.931 4.579 1.00 0.00 O ATOM 333 CB GLN A 43 14.120 22.807 3.725 1.00 0.00 C ATOM 334 CG GLN A 43 15.314 23.183 4.619 1.00 0.00 C ATOM 335 CD GLN A 43 15.113 24.543 5.287 1.00 0.00 C ATOM 336 OE1 GLN A 43 14.700 24.649 6.437 1.00 0.00 O ATOM 337 NE2 GLN A 43 15.381 25.638 4.603 1.00 0.00 N ATOM 0 H GLN A 43 12.627 20.420 2.410 1.00 0.00 H new ATOM 0 HA GLN A 43 15.244 21.499 2.439 1.00 0.00 H new ATOM 0 HB2 GLN A 43 13.966 23.592 2.985 1.00 0.00 H new ATOM 0 HB3 GLN A 43 13.217 22.762 4.334 1.00 0.00 H new ATOM 0 HG2 GLN A 43 15.451 22.419 5.384 1.00 0.00 H new ATOM 0 HG3 GLN A 43 16.225 23.202 4.021 1.00 0.00 H new ATOM 0 HE21 GLN A 43 15.725 25.570 3.645 1.00 0.00 H new ATOM 0 HE22 GLN A 43 15.244 26.553 5.032 1.00 0.00 H new ATOM 346 N GLY A 44 15.543 19.744 4.289 1.00 0.00 N ATOM 347 CA GLY A 44 15.717 18.519 5.088 1.00 0.00 C ATOM 348 C GLY A 44 15.351 17.256 4.295 1.00 0.00 C ATOM 349 O GLY A 44 14.256 17.134 3.756 1.00 0.00 O ATOM 0 H GLY A 44 16.423 20.132 3.949 1.00 0.00 H new ATOM 0 HA2 GLY A 44 16.752 18.449 5.423 1.00 0.00 H new ATOM 0 HA3 GLY A 44 15.096 18.578 5.982 1.00 0.00 H new ATOM 353 N GLU A 45 16.284 16.309 4.189 1.00 0.00 N ATOM 354 CA GLU A 45 16.234 15.129 3.312 1.00 0.00 C ATOM 355 C GLU A 45 15.390 13.955 3.841 1.00 0.00 C ATOM 356 O GLU A 45 15.788 12.794 3.770 1.00 0.00 O ATOM 357 CB GLU A 45 17.668 14.757 2.915 1.00 0.00 C ATOM 358 CG GLU A 45 18.541 14.268 4.083 1.00 0.00 C ATOM 359 CD GLU A 45 20.007 14.056 3.659 1.00 0.00 C ATOM 360 OE1 GLU A 45 20.362 12.940 3.205 1.00 0.00 O ATOM 361 OE2 GLU A 45 20.826 14.995 3.814 1.00 0.00 O ATOM 0 H GLU A 45 17.142 16.342 4.740 1.00 0.00 H new ATOM 0 HA GLU A 45 15.679 15.397 2.413 1.00 0.00 H new ATOM 0 HB2 GLU A 45 17.631 13.978 2.153 1.00 0.00 H new ATOM 0 HB3 GLU A 45 18.144 15.626 2.460 1.00 0.00 H new ATOM 0 HG2 GLU A 45 18.500 14.994 4.895 1.00 0.00 H new ATOM 0 HG3 GLU A 45 18.137 13.333 4.471 1.00 0.00 H new ATOM 368 N MET A 46 14.210 14.246 4.386 1.00 0.00 N ATOM 369 CA MET A 46 13.301 13.242 4.947 1.00 0.00 C ATOM 370 C MET A 46 11.847 13.518 4.512 1.00 0.00 C ATOM 371 O MET A 46 11.113 14.285 5.138 1.00 0.00 O ATOM 372 CB MET A 46 13.446 13.226 6.476 1.00 0.00 C ATOM 373 CG MET A 46 14.713 12.486 6.924 1.00 0.00 C ATOM 374 SD MET A 46 14.648 11.858 8.625 1.00 0.00 S ATOM 375 CE MET A 46 13.528 10.448 8.382 1.00 0.00 C ATOM 0 H MET A 46 13.851 15.199 4.452 1.00 0.00 H new ATOM 0 HA MET A 46 13.565 12.256 4.565 1.00 0.00 H new ATOM 0 HB2 MET A 46 13.473 14.250 6.849 1.00 0.00 H new ATOM 0 HB3 MET A 46 12.572 12.749 6.918 1.00 0.00 H new ATOM 0 HG2 MET A 46 14.890 11.650 6.247 1.00 0.00 H new ATOM 0 HG3 MET A 46 15.565 13.159 6.830 1.00 0.00 H new ATOM 0 HE1 MET A 46 12.740 10.475 9.135 1.00 0.00 H new ATOM 0 HE2 MET A 46 13.082 10.504 7.389 1.00 0.00 H new ATOM 0 HE3 MET A 46 14.088 9.518 8.476 1.00 0.00 H new ATOM 385 N PHE A 47 11.447 12.866 3.419 1.00 0.00 N ATOM 386 CA PHE A 47 10.122 12.929 2.777 1.00 0.00 C ATOM 387 C PHE A 47 9.783 11.553 2.170 1.00 0.00 C ATOM 388 O PHE A 47 10.581 11.019 1.405 1.00 0.00 O ATOM 389 CB PHE A 47 10.098 14.047 1.702 1.00 0.00 C ATOM 390 CG PHE A 47 11.440 14.627 1.270 1.00 0.00 C ATOM 391 CD1 PHE A 47 12.447 13.792 0.748 1.00 0.00 C ATOM 392 CD2 PHE A 47 11.695 16.005 1.412 1.00 0.00 C ATOM 393 CE1 PHE A 47 13.700 14.321 0.403 1.00 0.00 C ATOM 394 CE2 PHE A 47 12.940 16.538 1.033 1.00 0.00 C ATOM 395 CZ PHE A 47 13.944 15.699 0.524 1.00 0.00 C ATOM 0 H PHE A 47 12.078 12.237 2.922 1.00 0.00 H new ATOM 0 HA PHE A 47 9.364 13.174 3.521 1.00 0.00 H new ATOM 0 HB2 PHE A 47 9.599 13.653 0.816 1.00 0.00 H new ATOM 0 HB3 PHE A 47 9.482 14.864 2.078 1.00 0.00 H new ATOM 0 HD1 PHE A 47 12.254 12.738 0.612 1.00 0.00 H new ATOM 0 HD2 PHE A 47 10.931 16.655 1.813 1.00 0.00 H new ATOM 0 HE1 PHE A 47 14.480 13.666 0.043 1.00 0.00 H new ATOM 0 HE2 PHE A 47 13.125 17.597 1.134 1.00 0.00 H new ATOM 0 HZ PHE A 47 14.898 16.110 0.227 1.00 0.00 H new ATOM 405 N THR A 48 8.643 10.949 2.525 1.00 0.00 N ATOM 406 CA THR A 48 8.221 9.590 2.083 1.00 0.00 C ATOM 407 C THR A 48 7.790 9.578 0.609 1.00 0.00 C ATOM 408 O THR A 48 7.646 10.637 0.012 1.00 0.00 O ATOM 409 CB THR A 48 7.110 9.032 3.008 1.00 0.00 C ATOM 410 OG1 THR A 48 6.260 10.076 3.434 1.00 0.00 O ATOM 411 CG2 THR A 48 7.710 8.364 4.253 1.00 0.00 C ATOM 0 H THR A 48 7.963 11.392 3.143 1.00 0.00 H new ATOM 0 HA THR A 48 9.086 8.931 2.163 1.00 0.00 H new ATOM 0 HB THR A 48 6.548 8.294 2.435 1.00 0.00 H new ATOM 0 HG1 THR A 48 5.561 9.712 4.016 1.00 0.00 H new ATOM 0 HG21 THR A 48 6.907 7.982 4.883 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.356 7.540 3.948 1.00 0.00 H new ATOM 0 HG23 THR A 48 8.294 9.095 4.812 1.00 0.00 H new ATOM 419 N VAL A 49 7.567 8.413 -0.027 1.00 0.00 N ATOM 420 CA VAL A 49 7.326 8.343 -1.498 1.00 0.00 C ATOM 421 C VAL A 49 6.145 9.205 -1.962 1.00 0.00 C ATOM 422 O VAL A 49 6.204 9.831 -3.015 1.00 0.00 O ATOM 423 CB VAL A 49 7.189 6.887 -1.986 1.00 0.00 C ATOM 424 CG1 VAL A 49 5.962 6.153 -1.432 1.00 0.00 C ATOM 425 CG2 VAL A 49 7.199 6.772 -3.513 1.00 0.00 C ATOM 0 H VAL A 49 7.547 7.508 0.442 1.00 0.00 H new ATOM 0 HA VAL A 49 8.214 8.770 -1.965 1.00 0.00 H new ATOM 0 HB VAL A 49 8.075 6.396 -1.584 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.939 5.136 -1.823 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.017 6.122 -0.344 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.056 6.679 -1.735 1.00 0.00 H new ATOM 0 HG21 VAL A 49 7.100 5.725 -3.800 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.367 7.342 -3.926 1.00 0.00 H new ATOM 0 HG23 VAL A 49 8.138 7.167 -3.901 1.00 0.00 H new ATOM 435 N LYS A 50 5.115 9.319 -1.118 1.00 0.00 N ATOM 436 CA LYS A 50 3.953 10.203 -1.309 1.00 0.00 C ATOM 437 C LYS A 50 4.364 11.681 -1.423 1.00 0.00 C ATOM 438 O LYS A 50 3.907 12.391 -2.318 1.00 0.00 O ATOM 439 CB LYS A 50 2.998 9.990 -0.123 1.00 0.00 C ATOM 440 CG LYS A 50 2.409 8.566 -0.083 1.00 0.00 C ATOM 441 CD LYS A 50 1.588 8.286 1.185 1.00 0.00 C ATOM 442 CE LYS A 50 2.454 8.272 2.458 1.00 0.00 C ATOM 443 NZ LYS A 50 1.658 7.861 3.649 1.00 0.00 N ATOM 0 H LYS A 50 5.062 8.782 -0.253 1.00 0.00 H new ATOM 0 HA LYS A 50 3.459 9.951 -2.247 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.531 10.185 0.807 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.185 10.714 -0.182 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.776 8.417 -0.958 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.221 7.842 -0.150 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.812 9.045 1.286 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.083 7.325 1.082 1.00 0.00 H new ATOM 0 HE2 LYS A 50 3.291 7.587 2.323 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.876 9.263 2.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.268 7.861 4.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.874 8.529 3.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 1.276 6.906 3.498 1.00 0.00 H new ATOM 457 N GLU A 51 5.287 12.115 -0.565 1.00 0.00 N ATOM 458 CA GLU A 51 5.885 13.458 -0.579 1.00 0.00 C ATOM 459 C GLU A 51 6.846 13.630 -1.765 1.00 0.00 C ATOM 460 O GLU A 51 6.741 14.613 -2.492 1.00 0.00 O ATOM 461 CB GLU A 51 6.619 13.718 0.749 1.00 0.00 C ATOM 462 CG GLU A 51 5.734 13.643 2.001 1.00 0.00 C ATOM 463 CD GLU A 51 4.625 14.714 1.995 1.00 0.00 C ATOM 464 OE1 GLU A 51 4.902 15.880 2.368 1.00 0.00 O ATOM 465 OE2 GLU A 51 3.465 14.397 1.634 1.00 0.00 O ATOM 0 H GLU A 51 5.653 11.527 0.184 1.00 0.00 H new ATOM 0 HA GLU A 51 5.083 14.187 -0.694 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.427 12.993 0.849 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.080 14.705 0.706 1.00 0.00 H new ATOM 0 HG2 GLU A 51 5.281 12.654 2.065 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.353 13.768 2.889 1.00 0.00 H new ATOM 472 N VAL A 52 7.731 12.655 -2.015 1.00 0.00 N ATOM 473 CA VAL A 52 8.667 12.640 -3.161 1.00 0.00 C ATOM 474 C VAL A 52 7.917 12.840 -4.478 1.00 0.00 C ATOM 475 O VAL A 52 8.273 13.716 -5.263 1.00 0.00 O ATOM 476 CB VAL A 52 9.474 11.323 -3.200 1.00 0.00 C ATOM 477 CG1 VAL A 52 10.348 11.160 -4.452 1.00 0.00 C ATOM 478 CG2 VAL A 52 10.392 11.210 -1.979 1.00 0.00 C ATOM 0 H VAL A 52 7.823 11.834 -1.416 1.00 0.00 H new ATOM 0 HA VAL A 52 9.365 13.467 -3.031 1.00 0.00 H new ATOM 0 HB VAL A 52 8.719 10.537 -3.208 1.00 0.00 H new ATOM 0 HG11 VAL A 52 10.881 10.211 -4.402 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.717 11.176 -5.341 1.00 0.00 H new ATOM 0 HG13 VAL A 52 11.067 11.978 -4.503 1.00 0.00 H new ATOM 0 HG21 VAL A 52 10.950 10.275 -2.029 1.00 0.00 H new ATOM 0 HG22 VAL A 52 11.089 12.048 -1.969 1.00 0.00 H new ATOM 0 HG23 VAL A 52 9.791 11.226 -1.070 1.00 0.00 H new ATOM 488 N MET A 53 6.843 12.080 -4.706 1.00 0.00 N ATOM 489 CA MET A 53 6.027 12.195 -5.916 1.00 0.00 C ATOM 490 C MET A 53 5.315 13.545 -6.002 1.00 0.00 C ATOM 491 O MET A 53 5.359 14.185 -7.050 1.00 0.00 O ATOM 492 CB MET A 53 5.035 11.026 -5.988 1.00 0.00 C ATOM 493 CG MET A 53 5.750 9.708 -6.308 1.00 0.00 C ATOM 494 SD MET A 53 6.787 9.687 -7.805 1.00 0.00 S ATOM 495 CE MET A 53 5.544 9.976 -9.092 1.00 0.00 C ATOM 0 H MET A 53 6.515 11.366 -4.055 1.00 0.00 H new ATOM 0 HA MET A 53 6.690 12.144 -6.780 1.00 0.00 H new ATOM 0 HB2 MET A 53 4.507 10.935 -5.039 1.00 0.00 H new ATOM 0 HB3 MET A 53 4.284 11.230 -6.752 1.00 0.00 H new ATOM 0 HG2 MET A 53 6.376 9.444 -5.456 1.00 0.00 H new ATOM 0 HG3 MET A 53 4.997 8.926 -6.404 1.00 0.00 H new ATOM 0 HE1 MET A 53 6.035 10.322 -10.001 1.00 0.00 H new ATOM 0 HE2 MET A 53 5.011 9.048 -9.298 1.00 0.00 H new ATOM 0 HE3 MET A 53 4.837 10.732 -8.751 1.00 0.00 H new ATOM 505 N HIS A 54 4.739 14.036 -4.903 1.00 0.00 N ATOM 506 CA HIS A 54 4.141 15.381 -4.863 1.00 0.00 C ATOM 507 C HIS A 54 5.150 16.479 -5.233 1.00 0.00 C ATOM 508 O HIS A 54 4.864 17.348 -6.056 1.00 0.00 O ATOM 509 CB HIS A 54 3.542 15.644 -3.473 1.00 0.00 C ATOM 510 CG HIS A 54 2.854 16.985 -3.340 1.00 0.00 C ATOM 511 ND1 HIS A 54 2.848 17.784 -2.192 1.00 0.00 N ATOM 512 CD2 HIS A 54 2.148 17.622 -4.320 1.00 0.00 C ATOM 513 CE1 HIS A 54 2.135 18.880 -2.508 1.00 0.00 C ATOM 514 NE2 HIS A 54 1.700 18.807 -3.778 1.00 0.00 N ATOM 0 H HIS A 54 4.672 13.524 -4.024 1.00 0.00 H new ATOM 0 HA HIS A 54 3.350 15.413 -5.612 1.00 0.00 H new ATOM 0 HB2 HIS A 54 2.825 14.856 -3.243 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.336 15.580 -2.729 1.00 0.00 H new ATOM 0 HD2 HIS A 54 1.974 17.266 -5.325 1.00 0.00 H new ATOM 0 HE1 HIS A 54 1.940 19.703 -1.836 1.00 0.00 H new ATOM 0 HE2 HIS A 54 1.136 19.508 -4.258 1.00 0.00 H new ATOM 522 N TYR A 55 6.360 16.428 -4.682 1.00 0.00 N ATOM 523 CA TYR A 55 7.459 17.325 -5.057 1.00 0.00 C ATOM 524 C TYR A 55 7.893 17.164 -6.522 1.00 0.00 C ATOM 525 O TYR A 55 8.131 18.178 -7.171 1.00 0.00 O ATOM 526 CB TYR A 55 8.633 17.163 -4.084 1.00 0.00 C ATOM 527 CG TYR A 55 8.427 17.822 -2.728 1.00 0.00 C ATOM 528 CD1 TYR A 55 8.221 19.215 -2.644 1.00 0.00 C ATOM 529 CD2 TYR A 55 8.455 17.052 -1.548 1.00 0.00 C ATOM 530 CE1 TYR A 55 8.011 19.827 -1.393 1.00 0.00 C ATOM 531 CE2 TYR A 55 8.244 17.658 -0.295 1.00 0.00 C ATOM 532 CZ TYR A 55 8.015 19.050 -0.214 1.00 0.00 C ATOM 533 OH TYR A 55 7.814 19.654 0.991 1.00 0.00 O ATOM 0 H TYR A 55 6.611 15.758 -3.955 1.00 0.00 H new ATOM 0 HA TYR A 55 7.087 18.347 -4.978 1.00 0.00 H new ATOM 0 HB2 TYR A 55 8.818 16.100 -3.932 1.00 0.00 H new ATOM 0 HB3 TYR A 55 9.529 17.580 -4.544 1.00 0.00 H new ATOM 0 HD1 TYR A 55 8.224 19.814 -3.542 1.00 0.00 H new ATOM 0 HD2 TYR A 55 8.640 15.989 -1.605 1.00 0.00 H new ATOM 0 HE1 TYR A 55 7.847 20.893 -1.335 1.00 0.00 H new ATOM 0 HE2 TYR A 55 8.257 17.059 0.604 1.00 0.00 H new ATOM 0 HH TYR A 55 7.845 18.982 1.703 1.00 0.00 H new ATOM 543 N LEU A 56 7.912 15.952 -7.087 1.00 0.00 N ATOM 544 CA LEU A 56 8.217 15.730 -8.509 1.00 0.00 C ATOM 545 C LEU A 56 7.153 16.360 -9.422 1.00 0.00 C ATOM 546 O LEU A 56 7.511 17.040 -10.378 1.00 0.00 O ATOM 547 CB LEU A 56 8.395 14.225 -8.816 1.00 0.00 C ATOM 548 CG LEU A 56 9.864 13.781 -8.931 1.00 0.00 C ATOM 549 CD1 LEU A 56 10.630 13.906 -7.618 1.00 0.00 C ATOM 550 CD2 LEU A 56 9.931 12.320 -9.378 1.00 0.00 C ATOM 0 H LEU A 56 7.716 15.094 -6.572 1.00 0.00 H new ATOM 0 HA LEU A 56 9.164 16.228 -8.719 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.911 13.644 -8.031 1.00 0.00 H new ATOM 0 HB3 LEU A 56 7.881 13.991 -9.748 1.00 0.00 H new ATOM 0 HG LEU A 56 10.328 14.445 -9.661 1.00 0.00 H new ATOM 0 HD11 LEU A 56 11.659 13.578 -7.764 1.00 0.00 H new ATOM 0 HD12 LEU A 56 10.624 14.946 -7.291 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.155 13.284 -6.859 1.00 0.00 H new ATOM 0 HD21 LEU A 56 10.973 12.011 -9.458 1.00 0.00 H new ATOM 0 HD22 LEU A 56 9.421 11.692 -8.647 1.00 0.00 H new ATOM 0 HD23 LEU A 56 9.446 12.214 -10.348 1.00 0.00 H new ATOM 562 N GLY A 57 5.864 16.203 -9.110 1.00 0.00 N ATOM 563 CA GLY A 57 4.776 16.815 -9.885 1.00 0.00 C ATOM 564 C GLY A 57 4.852 18.346 -9.882 1.00 0.00 C ATOM 565 O GLY A 57 4.841 18.983 -10.939 1.00 0.00 O ATOM 0 H GLY A 57 5.543 15.650 -8.315 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.816 16.453 -10.912 1.00 0.00 H new ATOM 0 HA3 GLY A 57 3.817 16.500 -9.473 1.00 0.00 H new ATOM 569 N GLN A 58 5.051 18.935 -8.694 1.00 0.00 N ATOM 570 CA GLN A 58 5.244 20.390 -8.542 1.00 0.00 C ATOM 571 C GLN A 58 6.459 20.868 -9.323 1.00 0.00 C ATOM 572 O GLN A 58 6.367 21.821 -10.086 1.00 0.00 O ATOM 573 CB GLN A 58 5.453 20.763 -7.069 1.00 0.00 C ATOM 574 CG GLN A 58 4.183 20.554 -6.252 1.00 0.00 C ATOM 575 CD GLN A 58 4.466 20.684 -4.760 1.00 0.00 C ATOM 576 OE1 GLN A 58 5.094 19.686 -4.181 1.00 0.00 O flip ATOM 577 NE2 GLN A 58 4.154 21.674 -4.110 1.00 0.00 N flip ATOM 0 H GLN A 58 5.083 18.422 -7.813 1.00 0.00 H new ATOM 0 HA GLN A 58 4.344 20.870 -8.927 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.259 20.160 -6.651 1.00 0.00 H new ATOM 0 HB3 GLN A 58 5.765 21.805 -6.998 1.00 0.00 H new ATOM 0 HG2 GLN A 58 3.431 21.285 -6.548 1.00 0.00 H new ATOM 0 HG3 GLN A 58 3.769 19.568 -6.463 1.00 0.00 H new ATOM 0 HE21 GLN A 58 3.666 22.448 -4.562 1.00 0.00 H new ATOM 0 HE22 GLN A 58 4.382 21.725 -3.117 1.00 0.00 H new ATOM 586 N TYR A 59 7.581 20.176 -9.163 1.00 0.00 N ATOM 587 CA TYR A 59 8.833 20.466 -9.871 1.00 0.00 C ATOM 588 C TYR A 59 8.663 20.426 -11.396 1.00 0.00 C ATOM 589 O TYR A 59 9.091 21.349 -12.083 1.00 0.00 O ATOM 590 CB TYR A 59 9.900 19.479 -9.400 1.00 0.00 C ATOM 591 CG TYR A 59 11.273 19.659 -10.022 1.00 0.00 C ATOM 592 CD1 TYR A 59 11.582 19.002 -11.228 1.00 0.00 C ATOM 593 CD2 TYR A 59 12.246 20.463 -9.393 1.00 0.00 C ATOM 594 CE1 TYR A 59 12.856 19.150 -11.808 1.00 0.00 C ATOM 595 CE2 TYR A 59 13.524 20.612 -9.971 1.00 0.00 C ATOM 596 CZ TYR A 59 13.831 19.957 -11.185 1.00 0.00 C ATOM 597 OH TYR A 59 15.052 20.115 -11.761 1.00 0.00 O ATOM 0 H TYR A 59 7.653 19.382 -8.527 1.00 0.00 H new ATOM 0 HA TYR A 59 9.144 21.483 -9.634 1.00 0.00 H new ATOM 0 HB2 TYR A 59 9.996 19.563 -8.318 1.00 0.00 H new ATOM 0 HB3 TYR A 59 9.554 18.467 -9.611 1.00 0.00 H new ATOM 0 HD1 TYR A 59 10.840 18.383 -11.710 1.00 0.00 H new ATOM 0 HD2 TYR A 59 12.012 20.966 -8.466 1.00 0.00 H new ATOM 0 HE1 TYR A 59 13.088 18.644 -12.733 1.00 0.00 H new ATOM 0 HE2 TYR A 59 14.268 21.227 -9.486 1.00 0.00 H new ATOM 0 HH TYR A 59 15.133 19.509 -12.527 1.00 0.00 H new ATOM 607 N ILE A 60 7.971 19.417 -11.932 1.00 0.00 N ATOM 608 CA ILE A 60 7.687 19.292 -13.369 1.00 0.00 C ATOM 609 C ILE A 60 6.829 20.476 -13.852 1.00 0.00 C ATOM 610 O ILE A 60 7.189 21.126 -14.841 1.00 0.00 O ATOM 611 CB ILE A 60 7.104 17.883 -13.658 1.00 0.00 C ATOM 612 CG1 ILE A 60 8.220 16.820 -13.485 1.00 0.00 C ATOM 613 CG2 ILE A 60 6.504 17.720 -15.066 1.00 0.00 C ATOM 614 CD1 ILE A 60 7.695 15.385 -13.349 1.00 0.00 C ATOM 0 H ILE A 60 7.586 18.653 -11.376 1.00 0.00 H new ATOM 0 HA ILE A 60 8.601 19.359 -13.959 1.00 0.00 H new ATOM 0 HB ILE A 60 6.290 17.748 -12.946 1.00 0.00 H new ATOM 0 HG12 ILE A 60 8.893 16.871 -14.341 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.809 17.066 -12.602 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.120 16.707 -15.183 1.00 0.00 H new ATOM 0 HG22 ILE A 60 5.691 18.434 -15.200 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.275 17.904 -15.814 1.00 0.00 H new ATOM 0 HD11 ILE A 60 8.535 14.700 -13.232 1.00 0.00 H new ATOM 0 HD12 ILE A 60 7.046 15.316 -12.476 1.00 0.00 H new ATOM 0 HD13 ILE A 60 7.131 15.118 -14.243 1.00 0.00 H new ATOM 626 N MET A 61 5.779 20.853 -13.112 1.00 0.00 N ATOM 627 CA MET A 61 4.988 22.063 -13.401 1.00 0.00 C ATOM 628 C MET A 61 5.791 23.371 -13.265 1.00 0.00 C ATOM 629 O MET A 61 5.617 24.273 -14.084 1.00 0.00 O ATOM 630 CB MET A 61 3.741 22.113 -12.497 1.00 0.00 C ATOM 631 CG MET A 61 2.507 21.427 -13.100 1.00 0.00 C ATOM 632 SD MET A 61 2.608 19.639 -13.385 1.00 0.00 S ATOM 633 CE MET A 61 3.161 19.582 -15.108 1.00 0.00 C ATOM 0 H MET A 61 5.452 20.332 -12.298 1.00 0.00 H new ATOM 0 HA MET A 61 4.690 21.990 -14.447 1.00 0.00 H new ATOM 0 HB2 MET A 61 3.977 21.641 -11.543 1.00 0.00 H new ATOM 0 HB3 MET A 61 3.499 23.155 -12.286 1.00 0.00 H new ATOM 0 HG2 MET A 61 1.660 21.617 -12.441 1.00 0.00 H new ATOM 0 HG3 MET A 61 2.284 21.909 -14.052 1.00 0.00 H new ATOM 0 HE1 MET A 61 3.148 18.551 -15.460 1.00 0.00 H new ATOM 0 HE2 MET A 61 2.494 20.185 -15.724 1.00 0.00 H new ATOM 0 HE3 MET A 61 4.175 19.977 -15.178 1.00 0.00 H new ATOM 643 N VAL A 62 6.688 23.487 -12.278 1.00 0.00 N ATOM 644 CA VAL A 62 7.470 24.698 -11.996 1.00 0.00 C ATOM 645 C VAL A 62 8.569 24.925 -13.033 1.00 0.00 C ATOM 646 O VAL A 62 8.743 26.043 -13.523 1.00 0.00 O ATOM 647 CB VAL A 62 8.023 24.588 -10.559 1.00 0.00 C ATOM 648 CG1 VAL A 62 9.264 25.426 -10.276 1.00 0.00 C ATOM 649 CG2 VAL A 62 6.937 24.983 -9.553 1.00 0.00 C ATOM 0 H VAL A 62 6.896 22.722 -11.637 1.00 0.00 H new ATOM 0 HA VAL A 62 6.829 25.577 -12.067 1.00 0.00 H new ATOM 0 HB VAL A 62 8.323 23.545 -10.454 1.00 0.00 H new ATOM 0 HG11 VAL A 62 9.574 25.280 -9.241 1.00 0.00 H new ATOM 0 HG12 VAL A 62 10.070 25.119 -10.943 1.00 0.00 H new ATOM 0 HG13 VAL A 62 9.037 26.479 -10.441 1.00 0.00 H new ATOM 0 HG21 VAL A 62 7.333 24.904 -8.540 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.624 26.010 -9.741 1.00 0.00 H new ATOM 0 HG23 VAL A 62 6.081 24.317 -9.661 1.00 0.00 H new ATOM 659 N LYS A 63 9.279 23.857 -13.404 1.00 0.00 N ATOM 660 CA LYS A 63 10.318 23.872 -14.441 1.00 0.00 C ATOM 661 C LYS A 63 9.734 23.777 -15.863 1.00 0.00 C ATOM 662 O LYS A 63 10.440 24.107 -16.815 1.00 0.00 O ATOM 663 CB LYS A 63 11.324 22.743 -14.155 1.00 0.00 C ATOM 664 CG LYS A 63 12.037 22.780 -12.792 1.00 0.00 C ATOM 665 CD LYS A 63 12.951 23.992 -12.555 1.00 0.00 C ATOM 666 CE LYS A 63 14.093 24.150 -13.574 1.00 0.00 C ATOM 667 NZ LYS A 63 15.061 23.015 -13.553 1.00 0.00 N ATOM 0 H LYS A 63 9.146 22.937 -12.984 1.00 0.00 H new ATOM 0 HA LYS A 63 10.834 24.831 -14.404 1.00 0.00 H new ATOM 0 HB2 LYS A 63 10.800 21.791 -14.239 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.084 22.758 -14.937 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.282 22.757 -12.006 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.632 21.873 -12.688 1.00 0.00 H new ATOM 0 HD2 LYS A 63 12.342 24.896 -12.570 1.00 0.00 H new ATOM 0 HD3 LYS A 63 13.382 23.914 -11.557 1.00 0.00 H new ATOM 0 HE2 LYS A 63 13.669 24.239 -14.574 1.00 0.00 H new ATOM 0 HE3 LYS A 63 14.627 25.078 -13.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 16.010 23.364 -13.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 15.080 22.592 -12.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 14.769 22.297 -14.246 1.00 0.00 H new ATOM 681 N GLN A 64 8.460 23.376 -16.016 1.00 0.00 N ATOM 682 CA GLN A 64 7.743 23.247 -17.301 1.00 0.00 C ATOM 683 C GLN A 64 8.274 22.091 -18.166 1.00 0.00 C ATOM 684 O GLN A 64 8.564 22.222 -19.356 1.00 0.00 O ATOM 685 CB GLN A 64 7.586 24.595 -18.031 1.00 0.00 C ATOM 686 CG GLN A 64 7.018 25.668 -17.093 1.00 0.00 C ATOM 687 CD GLN A 64 6.700 26.967 -17.830 1.00 0.00 C ATOM 688 OE1 GLN A 64 5.562 27.257 -18.180 1.00 0.00 O ATOM 689 NE2 GLN A 64 7.684 27.799 -18.109 1.00 0.00 N ATOM 0 H GLN A 64 7.877 23.123 -15.218 1.00 0.00 H new ATOM 0 HA GLN A 64 6.720 22.951 -17.068 1.00 0.00 H new ATOM 0 HB2 GLN A 64 8.553 24.919 -18.416 1.00 0.00 H new ATOM 0 HB3 GLN A 64 6.926 24.472 -18.890 1.00 0.00 H new ATOM 0 HG2 GLN A 64 6.113 25.291 -16.618 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.735 25.870 -16.297 1.00 0.00 H new ATOM 0 HE21 GLN A 64 8.638 27.574 -17.826 1.00 0.00 H new ATOM 0 HE22 GLN A 64 7.492 28.667 -18.608 1.00 0.00 H new ATOM 698 N LEU A 65 8.385 20.931 -17.516 1.00 0.00 N ATOM 699 CA LEU A 65 8.912 19.663 -18.029 1.00 0.00 C ATOM 700 C LEU A 65 7.801 18.796 -18.645 1.00 0.00 C ATOM 701 O LEU A 65 7.756 17.592 -18.427 1.00 0.00 O ATOM 702 CB LEU A 65 9.642 18.967 -16.860 1.00 0.00 C ATOM 703 CG LEU A 65 11.103 19.364 -16.590 1.00 0.00 C ATOM 704 CD1 LEU A 65 11.497 20.786 -16.962 1.00 0.00 C ATOM 705 CD2 LEU A 65 11.419 19.082 -15.121 1.00 0.00 C ATOM 0 H LEU A 65 8.087 20.846 -16.544 1.00 0.00 H new ATOM 0 HA LEU A 65 9.615 19.835 -18.844 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.071 19.152 -15.950 1.00 0.00 H new ATOM 0 HB3 LEU A 65 9.615 17.892 -17.040 1.00 0.00 H new ATOM 0 HG LEU A 65 11.705 18.753 -17.262 1.00 0.00 H new ATOM 0 HD11 LEU A 65 12.549 20.946 -16.725 1.00 0.00 H new ATOM 0 HD12 LEU A 65 11.338 20.940 -18.029 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.887 21.492 -16.399 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.452 19.358 -14.912 1.00 0.00 H new ATOM 0 HD22 LEU A 65 10.752 19.666 -14.487 1.00 0.00 H new ATOM 0 HD23 LEU A 65 11.278 18.021 -14.916 1.00 0.00 H new ATOM 717 N TYR A 66 6.849 19.381 -19.365 1.00 0.00 N ATOM 718 CA TYR A 66 5.709 18.648 -19.938 1.00 0.00 C ATOM 719 C TYR A 66 5.189 19.292 -21.242 1.00 0.00 C ATOM 720 O TYR A 66 5.554 20.424 -21.573 1.00 0.00 O ATOM 721 CB TYR A 66 4.590 18.569 -18.880 1.00 0.00 C ATOM 722 CG TYR A 66 3.918 19.896 -18.552 1.00 0.00 C ATOM 723 CD1 TYR A 66 4.558 20.844 -17.726 1.00 0.00 C ATOM 724 CD2 TYR A 66 2.643 20.181 -19.077 1.00 0.00 C ATOM 725 CE1 TYR A 66 3.932 22.075 -17.438 1.00 0.00 C ATOM 726 CE2 TYR A 66 2.013 21.408 -18.794 1.00 0.00 C ATOM 727 CZ TYR A 66 2.657 22.361 -17.976 1.00 0.00 C ATOM 728 OH TYR A 66 2.037 23.544 -17.708 1.00 0.00 O ATOM 0 H TYR A 66 6.840 20.380 -19.572 1.00 0.00 H new ATOM 0 HA TYR A 66 6.043 17.646 -20.206 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.829 17.871 -19.229 1.00 0.00 H new ATOM 0 HB3 TYR A 66 5.007 18.154 -17.963 1.00 0.00 H new ATOM 0 HD1 TYR A 66 5.532 20.626 -17.312 1.00 0.00 H new ATOM 0 HD2 TYR A 66 2.145 19.454 -19.701 1.00 0.00 H new ATOM 0 HE1 TYR A 66 4.427 22.798 -16.807 1.00 0.00 H new ATOM 0 HE2 TYR A 66 1.036 21.620 -19.203 1.00 0.00 H new ATOM 0 HH TYR A 66 1.169 23.569 -18.162 1.00 0.00 H new ATOM 738 N ASP A 67 4.328 18.586 -21.986 1.00 0.00 N ATOM 739 CA ASP A 67 3.666 19.115 -23.192 1.00 0.00 C ATOM 740 C ASP A 67 2.301 19.752 -22.872 1.00 0.00 C ATOM 741 O ASP A 67 1.508 19.190 -22.116 1.00 0.00 O ATOM 742 CB ASP A 67 3.503 18.007 -24.236 1.00 0.00 C ATOM 743 CG ASP A 67 2.985 18.575 -25.564 1.00 0.00 C ATOM 744 OD1 ASP A 67 1.750 18.713 -25.707 1.00 0.00 O ATOM 745 OD2 ASP A 67 3.812 18.924 -26.440 1.00 0.00 O ATOM 0 H ASP A 67 4.067 17.624 -21.769 1.00 0.00 H new ATOM 0 HA ASP A 67 4.305 19.901 -23.596 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.460 17.511 -24.397 1.00 0.00 H new ATOM 0 HB3 ASP A 67 2.811 17.251 -23.865 1.00 0.00 H new ATOM 750 N GLN A 68 1.988 20.906 -23.474 1.00 0.00 N ATOM 751 CA GLN A 68 0.765 21.656 -23.176 1.00 0.00 C ATOM 752 C GLN A 68 -0.546 20.999 -23.652 1.00 0.00 C ATOM 753 O GLN A 68 -1.609 21.320 -23.115 1.00 0.00 O ATOM 754 CB GLN A 68 0.922 23.092 -23.704 1.00 0.00 C ATOM 755 CG GLN A 68 0.878 23.208 -25.241 1.00 0.00 C ATOM 756 CD GLN A 68 1.078 24.636 -25.759 1.00 0.00 C ATOM 757 OE1 GLN A 68 1.225 25.606 -25.022 1.00 0.00 O ATOM 758 NE2 GLN A 68 1.089 24.829 -27.063 1.00 0.00 N ATOM 0 H GLN A 68 2.577 21.345 -24.182 1.00 0.00 H new ATOM 0 HA GLN A 68 0.655 21.661 -22.092 1.00 0.00 H new ATOM 0 HB2 GLN A 68 0.131 23.711 -23.281 1.00 0.00 H new ATOM 0 HB3 GLN A 68 1.869 23.497 -23.347 1.00 0.00 H new ATOM 0 HG2 GLN A 68 1.649 22.566 -25.667 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -0.082 22.833 -25.597 1.00 0.00 H new ATOM 0 HE21 GLN A 68 0.969 24.039 -27.697 1.00 0.00 H new ATOM 0 HE22 GLN A 68 1.218 25.769 -27.438 1.00 0.00 H new ATOM 767 N GLN A 69 -0.489 20.076 -24.617 1.00 0.00 N ATOM 768 CA GLN A 69 -1.627 19.281 -25.098 1.00 0.00 C ATOM 769 C GLN A 69 -1.566 17.830 -24.585 1.00 0.00 C ATOM 770 O GLN A 69 -2.610 17.233 -24.315 1.00 0.00 O ATOM 771 CB GLN A 69 -1.663 19.355 -26.636 1.00 0.00 C ATOM 772 CG GLN A 69 -2.810 18.575 -27.307 1.00 0.00 C ATOM 773 CD GLN A 69 -4.204 19.052 -26.895 1.00 0.00 C ATOM 774 OE1 GLN A 69 -4.816 19.901 -27.532 1.00 0.00 O ATOM 775 NE2 GLN A 69 -4.762 18.535 -25.819 1.00 0.00 N ATOM 0 H GLN A 69 0.380 19.853 -25.103 1.00 0.00 H new ATOM 0 HA GLN A 69 -2.554 19.695 -24.702 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -1.736 20.402 -26.931 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -0.716 18.980 -27.023 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -2.712 18.661 -28.389 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -2.710 17.518 -27.061 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -4.266 17.827 -25.277 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -5.690 18.843 -25.528 1.00 0.00 H new ATOM 784 N GLU A 70 -0.367 17.277 -24.395 1.00 0.00 N ATOM 785 CA GLU A 70 -0.135 15.950 -23.803 1.00 0.00 C ATOM 786 C GLU A 70 0.334 16.098 -22.349 1.00 0.00 C ATOM 787 O GLU A 70 1.448 15.725 -21.989 1.00 0.00 O ATOM 788 CB GLU A 70 0.790 15.095 -24.691 1.00 0.00 C ATOM 789 CG GLU A 70 0.141 14.771 -26.043 1.00 0.00 C ATOM 790 CD GLU A 70 0.969 13.727 -26.816 1.00 0.00 C ATOM 791 OE1 GLU A 70 0.764 12.507 -26.602 1.00 0.00 O ATOM 792 OE2 GLU A 70 1.817 14.114 -27.659 1.00 0.00 O ATOM 0 H GLU A 70 0.498 17.751 -24.655 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.072 15.395 -23.764 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.728 15.625 -24.856 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.035 14.167 -24.174 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.869 14.394 -25.885 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.052 15.682 -26.636 1.00 0.00 H new ATOM 799 N GLN A 71 -0.525 16.669 -21.495 1.00 0.00 N ATOM 800 CA GLN A 71 -0.178 17.029 -20.109 1.00 0.00 C ATOM 801 C GLN A 71 0.083 15.801 -19.212 1.00 0.00 C ATOM 802 O GLN A 71 0.751 15.909 -18.182 1.00 0.00 O ATOM 803 CB GLN A 71 -1.267 17.943 -19.520 1.00 0.00 C ATOM 804 CG GLN A 71 -1.407 19.262 -20.306 1.00 0.00 C ATOM 805 CD GLN A 71 -2.465 20.217 -19.748 1.00 0.00 C ATOM 806 OE1 GLN A 71 -2.991 20.073 -18.651 1.00 0.00 O ATOM 807 NE2 GLN A 71 -2.817 21.246 -20.492 1.00 0.00 N ATOM 0 H GLN A 71 -1.487 16.897 -21.745 1.00 0.00 H new ATOM 0 HA GLN A 71 0.766 17.573 -20.138 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.222 17.417 -19.523 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -1.029 18.165 -18.480 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.443 19.771 -20.314 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.654 19.030 -21.342 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.390 21.383 -21.408 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -3.516 21.906 -20.152 1.00 0.00 H new ATOM 816 N HIS A 72 -0.389 14.620 -19.631 1.00 0.00 N ATOM 817 CA HIS A 72 -0.071 13.309 -19.049 1.00 0.00 C ATOM 818 C HIS A 72 1.369 12.845 -19.345 1.00 0.00 C ATOM 819 O HIS A 72 1.860 11.913 -18.705 1.00 0.00 O ATOM 820 CB HIS A 72 -1.074 12.294 -19.620 1.00 0.00 C ATOM 821 CG HIS A 72 -0.991 12.147 -21.122 1.00 0.00 C ATOM 822 ND1 HIS A 72 -1.674 12.934 -22.056 1.00 0.00 N ATOM 823 CD2 HIS A 72 -0.206 11.251 -21.789 1.00 0.00 C ATOM 824 CE1 HIS A 72 -1.302 12.473 -23.263 1.00 0.00 C ATOM 825 NE2 HIS A 72 -0.415 11.472 -23.133 1.00 0.00 N ATOM 0 H HIS A 72 -1.032 14.549 -20.420 1.00 0.00 H new ATOM 0 HA HIS A 72 -0.145 13.387 -17.964 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -0.900 11.323 -19.157 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -2.084 12.600 -19.348 1.00 0.00 H new ATOM 0 HD2 HIS A 72 0.450 10.514 -21.350 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -1.666 12.854 -24.206 1.00 0.00 H new ATOM 0 HE2 HIS A 72 0.028 10.963 -23.898 1.00 0.00 H new ATOM 833 N MET A 73 2.035 13.470 -20.321 1.00 0.00 N ATOM 834 CA MET A 73 3.360 13.125 -20.829 1.00 0.00 C ATOM 835 C MET A 73 4.410 14.137 -20.347 1.00 0.00 C ATOM 836 O MET A 73 4.237 15.354 -20.465 1.00 0.00 O ATOM 837 CB MET A 73 3.300 13.050 -22.364 1.00 0.00 C ATOM 838 CG MET A 73 4.527 12.383 -22.948 1.00 0.00 C ATOM 839 SD MET A 73 4.611 10.617 -22.597 1.00 0.00 S ATOM 840 CE MET A 73 6.302 10.459 -23.162 1.00 0.00 C ATOM 0 H MET A 73 1.638 14.276 -20.803 1.00 0.00 H new ATOM 0 HA MET A 73 3.662 12.152 -20.442 1.00 0.00 H new ATOM 0 HB2 MET A 73 2.410 12.498 -22.665 1.00 0.00 H new ATOM 0 HB3 MET A 73 3.205 14.056 -22.773 1.00 0.00 H new ATOM 0 HG2 MET A 73 4.535 12.533 -24.028 1.00 0.00 H new ATOM 0 HG3 MET A 73 5.419 12.868 -22.552 1.00 0.00 H new ATOM 0 HE1 MET A 73 6.491 9.428 -23.459 1.00 0.00 H new ATOM 0 HE2 MET A 73 6.464 11.118 -24.015 1.00 0.00 H new ATOM 0 HE3 MET A 73 6.982 10.735 -22.356 1.00 0.00 H new ATOM 850 N VAL A 74 5.519 13.632 -19.809 1.00 0.00 N ATOM 851 CA VAL A 74 6.609 14.425 -19.236 1.00 0.00 C ATOM 852 C VAL A 74 7.740 14.525 -20.259 1.00 0.00 C ATOM 853 O VAL A 74 8.045 13.560 -20.958 1.00 0.00 O ATOM 854 CB VAL A 74 7.053 13.829 -17.884 1.00 0.00 C ATOM 855 CG1 VAL A 74 8.174 14.637 -17.225 1.00 0.00 C ATOM 856 CG2 VAL A 74 5.873 13.811 -16.900 1.00 0.00 C ATOM 0 H VAL A 74 5.690 12.628 -19.758 1.00 0.00 H new ATOM 0 HA VAL A 74 6.275 15.440 -19.019 1.00 0.00 H new ATOM 0 HB VAL A 74 7.414 12.823 -18.101 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.448 14.174 -16.277 1.00 0.00 H new ATOM 0 HG12 VAL A 74 9.043 14.658 -17.883 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.831 15.656 -17.045 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.198 13.388 -15.949 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.516 14.829 -16.741 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.066 13.203 -17.310 1.00 0.00 H new ATOM 866 N TYR A 75 8.347 15.706 -20.338 1.00 0.00 N ATOM 867 CA TYR A 75 9.384 16.122 -21.280 1.00 0.00 C ATOM 868 C TYR A 75 10.489 16.897 -20.547 1.00 0.00 C ATOM 869 O TYR A 75 10.634 18.116 -20.638 1.00 0.00 O ATOM 870 CB TYR A 75 8.746 16.903 -22.436 1.00 0.00 C ATOM 871 CG TYR A 75 8.087 15.965 -23.421 1.00 0.00 C ATOM 872 CD1 TYR A 75 8.900 15.082 -24.155 1.00 0.00 C ATOM 873 CD2 TYR A 75 6.688 15.914 -23.554 1.00 0.00 C ATOM 874 CE1 TYR A 75 8.319 14.147 -25.026 1.00 0.00 C ATOM 875 CE2 TYR A 75 6.102 14.995 -24.445 1.00 0.00 C ATOM 876 CZ TYR A 75 6.915 14.105 -25.183 1.00 0.00 C ATOM 877 OH TYR A 75 6.340 13.209 -26.032 1.00 0.00 O ATOM 0 H TYR A 75 8.107 16.459 -19.693 1.00 0.00 H new ATOM 0 HA TYR A 75 9.869 15.251 -21.720 1.00 0.00 H new ATOM 0 HB2 TYR A 75 8.008 17.603 -22.044 1.00 0.00 H new ATOM 0 HB3 TYR A 75 9.507 17.495 -22.944 1.00 0.00 H new ATOM 0 HD1 TYR A 75 9.974 15.124 -24.048 1.00 0.00 H new ATOM 0 HD2 TYR A 75 6.065 16.578 -22.974 1.00 0.00 H new ATOM 0 HE1 TYR A 75 8.945 13.460 -25.576 1.00 0.00 H new ATOM 0 HE2 TYR A 75 5.029 14.970 -24.565 1.00 0.00 H new ATOM 0 HH TYR A 75 5.366 13.320 -26.014 1.00 0.00 H new ATOM 887 N CYS A 76 11.292 16.130 -19.820 1.00 0.00 N ATOM 888 CA CYS A 76 12.533 16.526 -19.132 1.00 0.00 C ATOM 889 C CYS A 76 13.769 16.615 -20.061 1.00 0.00 C ATOM 890 O CYS A 76 14.887 16.336 -19.622 1.00 0.00 O ATOM 891 CB CYS A 76 12.779 15.570 -17.948 1.00 0.00 C ATOM 892 SG CYS A 76 11.461 15.667 -16.707 1.00 0.00 S ATOM 0 H CYS A 76 11.085 15.141 -19.680 1.00 0.00 H new ATOM 0 HA CYS A 76 12.392 17.543 -18.767 1.00 0.00 H new ATOM 0 HB2 CYS A 76 12.853 14.547 -18.318 1.00 0.00 H new ATOM 0 HB3 CYS A 76 13.734 15.810 -17.481 1.00 0.00 H new ATOM 0 HG CYS A 76 11.718 14.842 -15.736 1.00 0.00 H new ATOM 898 N GLY A 77 13.585 17.006 -21.330 1.00 0.00 N ATOM 899 CA GLY A 77 14.577 16.955 -22.424 1.00 0.00 C ATOM 900 C GLY A 77 15.974 17.526 -22.135 1.00 0.00 C ATOM 901 O GLY A 77 16.954 17.059 -22.721 1.00 0.00 O ATOM 0 H GLY A 77 12.692 17.388 -21.642 1.00 0.00 H new ATOM 0 HA2 GLY A 77 14.694 15.914 -22.725 1.00 0.00 H new ATOM 0 HA3 GLY A 77 14.164 17.490 -23.279 1.00 0.00 H new ATOM 905 N GLY A 78 16.080 18.491 -21.216 1.00 0.00 N ATOM 906 CA GLY A 78 17.346 19.061 -20.736 1.00 0.00 C ATOM 907 C GLY A 78 17.439 19.216 -19.212 1.00 0.00 C ATOM 908 O GLY A 78 18.237 20.033 -18.747 1.00 0.00 O ATOM 0 H GLY A 78 15.264 18.911 -20.771 1.00 0.00 H new ATOM 0 HA2 GLY A 78 18.166 18.428 -21.074 1.00 0.00 H new ATOM 0 HA3 GLY A 78 17.487 20.039 -21.197 1.00 0.00 H new ATOM 912 N ASP A 79 16.622 18.498 -18.426 1.00 0.00 N ATOM 913 CA ASP A 79 16.563 18.679 -16.963 1.00 0.00 C ATOM 914 C ASP A 79 17.359 17.631 -16.175 1.00 0.00 C ATOM 915 O ASP A 79 17.375 16.443 -16.514 1.00 0.00 O ATOM 916 CB ASP A 79 15.113 18.747 -16.464 1.00 0.00 C ATOM 917 CG ASP A 79 15.052 19.471 -15.110 1.00 0.00 C ATOM 918 OD1 ASP A 79 15.226 18.801 -14.069 1.00 0.00 O ATOM 919 OD2 ASP A 79 14.875 20.710 -15.085 1.00 0.00 O ATOM 0 H ASP A 79 15.988 17.781 -18.780 1.00 0.00 H new ATOM 0 HA ASP A 79 17.048 19.636 -16.771 1.00 0.00 H new ATOM 0 HB2 ASP A 79 14.494 19.270 -17.193 1.00 0.00 H new ATOM 0 HB3 ASP A 79 14.707 17.740 -16.365 1.00 0.00 H new ATOM 924 N LEU A 80 17.944 18.068 -15.055 1.00 0.00 N ATOM 925 CA LEU A 80 18.629 17.216 -14.087 1.00 0.00 C ATOM 926 C LEU A 80 17.739 16.068 -13.579 1.00 0.00 C ATOM 927 O LEU A 80 18.251 14.972 -13.376 1.00 0.00 O ATOM 928 CB LEU A 80 19.118 18.111 -12.933 1.00 0.00 C ATOM 929 CG LEU A 80 19.932 17.375 -11.853 1.00 0.00 C ATOM 930 CD1 LEU A 80 21.221 16.757 -12.400 1.00 0.00 C ATOM 931 CD2 LEU A 80 20.306 18.351 -10.738 1.00 0.00 C ATOM 0 H LEU A 80 17.952 19.054 -14.793 1.00 0.00 H new ATOM 0 HA LEU A 80 19.476 16.730 -14.571 1.00 0.00 H new ATOM 0 HB2 LEU A 80 19.729 18.913 -13.347 1.00 0.00 H new ATOM 0 HB3 LEU A 80 18.254 18.579 -12.462 1.00 0.00 H new ATOM 0 HG LEU A 80 19.300 16.568 -11.480 1.00 0.00 H new ATOM 0 HD11 LEU A 80 21.753 16.252 -11.594 1.00 0.00 H new ATOM 0 HD12 LEU A 80 20.976 16.037 -13.181 1.00 0.00 H new ATOM 0 HD13 LEU A 80 21.853 17.542 -12.816 1.00 0.00 H new ATOM 0 HD21 LEU A 80 20.882 17.828 -9.975 1.00 0.00 H new ATOM 0 HD22 LEU A 80 20.904 19.163 -11.151 1.00 0.00 H new ATOM 0 HD23 LEU A 80 19.399 18.759 -10.292 1.00 0.00 H new ATOM 943 N LEU A 81 16.421 16.267 -13.440 1.00 0.00 N ATOM 944 CA LEU A 81 15.483 15.189 -13.102 1.00 0.00 C ATOM 945 C LEU A 81 15.427 14.114 -14.201 1.00 0.00 C ATOM 946 O LEU A 81 15.485 12.931 -13.883 1.00 0.00 O ATOM 947 CB LEU A 81 14.096 15.792 -12.796 1.00 0.00 C ATOM 948 CG LEU A 81 12.974 14.763 -12.539 1.00 0.00 C ATOM 949 CD1 LEU A 81 13.271 13.806 -11.381 1.00 0.00 C ATOM 950 CD2 LEU A 81 11.669 15.492 -12.226 1.00 0.00 C ATOM 0 H LEU A 81 15.977 17.177 -13.558 1.00 0.00 H new ATOM 0 HA LEU A 81 15.838 14.678 -12.207 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.183 16.437 -11.922 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.801 16.426 -13.632 1.00 0.00 H new ATOM 0 HG LEU A 81 12.898 14.169 -13.449 1.00 0.00 H new ATOM 0 HD11 LEU A 81 12.439 13.112 -11.260 1.00 0.00 H new ATOM 0 HD12 LEU A 81 14.181 13.247 -11.596 1.00 0.00 H new ATOM 0 HD13 LEU A 81 13.404 14.377 -10.462 1.00 0.00 H new ATOM 0 HD21 LEU A 81 10.879 14.763 -12.045 1.00 0.00 H new ATOM 0 HD22 LEU A 81 11.802 16.111 -11.339 1.00 0.00 H new ATOM 0 HD23 LEU A 81 11.393 16.123 -13.071 1.00 0.00 H new ATOM 962 N GLY A 82 15.361 14.491 -15.483 1.00 0.00 N ATOM 963 CA GLY A 82 15.378 13.528 -16.599 1.00 0.00 C ATOM 964 C GLY A 82 16.704 12.764 -16.702 1.00 0.00 C ATOM 965 O GLY A 82 16.726 11.548 -16.907 1.00 0.00 O ATOM 0 H GLY A 82 15.295 15.465 -15.779 1.00 0.00 H new ATOM 0 HA2 GLY A 82 14.562 12.816 -16.472 1.00 0.00 H new ATOM 0 HA3 GLY A 82 15.195 14.058 -17.534 1.00 0.00 H new ATOM 969 N GLU A 83 17.820 13.468 -16.518 1.00 0.00 N ATOM 970 CA GLU A 83 19.174 12.885 -16.496 1.00 0.00 C ATOM 971 C GLU A 83 19.336 11.880 -15.346 1.00 0.00 C ATOM 972 O GLU A 83 19.795 10.754 -15.550 1.00 0.00 O ATOM 973 CB GLU A 83 20.206 14.004 -16.305 1.00 0.00 C ATOM 974 CG GLU A 83 20.240 15.027 -17.441 1.00 0.00 C ATOM 975 CD GLU A 83 21.268 14.646 -18.523 1.00 0.00 C ATOM 976 OE1 GLU A 83 20.986 13.738 -19.343 1.00 0.00 O ATOM 977 OE2 GLU A 83 22.369 15.249 -18.563 1.00 0.00 O ATOM 0 H GLU A 83 17.816 14.478 -16.377 1.00 0.00 H new ATOM 0 HA GLU A 83 19.329 12.366 -17.442 1.00 0.00 H new ATOM 0 HB2 GLU A 83 19.994 14.523 -15.370 1.00 0.00 H new ATOM 0 HB3 GLU A 83 21.195 13.557 -16.204 1.00 0.00 H new ATOM 0 HG2 GLU A 83 19.250 15.104 -17.891 1.00 0.00 H new ATOM 0 HG3 GLU A 83 20.484 16.010 -17.038 1.00 0.00 H new ATOM 984 N LEU A 84 18.911 12.285 -14.145 1.00 0.00 N ATOM 985 CA LEU A 84 18.903 11.461 -12.931 1.00 0.00 C ATOM 986 C LEU A 84 18.004 10.225 -13.083 1.00 0.00 C ATOM 987 O LEU A 84 18.445 9.107 -12.802 1.00 0.00 O ATOM 988 CB LEU A 84 18.501 12.359 -11.739 1.00 0.00 C ATOM 989 CG LEU A 84 18.381 11.736 -10.334 1.00 0.00 C ATOM 990 CD1 LEU A 84 17.077 10.966 -10.123 1.00 0.00 C ATOM 991 CD2 LEU A 84 19.559 10.832 -9.977 1.00 0.00 C ATOM 0 H LEU A 84 18.551 13.226 -13.985 1.00 0.00 H new ATOM 0 HA LEU A 84 19.900 11.060 -12.747 1.00 0.00 H new ATOM 0 HB2 LEU A 84 19.229 13.168 -11.678 1.00 0.00 H new ATOM 0 HB3 LEU A 84 17.540 12.813 -11.980 1.00 0.00 H new ATOM 0 HG LEU A 84 18.386 12.595 -9.663 1.00 0.00 H new ATOM 0 HD11 LEU A 84 17.057 10.554 -9.114 1.00 0.00 H new ATOM 0 HD12 LEU A 84 16.231 11.640 -10.256 1.00 0.00 H new ATOM 0 HD13 LEU A 84 17.012 10.155 -10.848 1.00 0.00 H new ATOM 0 HD21 LEU A 84 19.415 10.425 -8.976 1.00 0.00 H new ATOM 0 HD22 LEU A 84 19.622 10.015 -10.696 1.00 0.00 H new ATOM 0 HD23 LEU A 84 20.483 11.410 -10.004 1.00 0.00 H new ATOM 1003 N LEU A 85 16.761 10.399 -13.553 1.00 0.00 N ATOM 1004 CA LEU A 85 15.828 9.281 -13.735 1.00 0.00 C ATOM 1005 C LEU A 85 16.265 8.345 -14.873 1.00 0.00 C ATOM 1006 O LEU A 85 15.940 7.159 -14.861 1.00 0.00 O ATOM 1007 CB LEU A 85 14.382 9.807 -13.841 1.00 0.00 C ATOM 1008 CG LEU A 85 13.778 10.082 -15.226 1.00 0.00 C ATOM 1009 CD1 LEU A 85 13.040 8.848 -15.759 1.00 0.00 C ATOM 1010 CD2 LEU A 85 12.734 11.195 -15.139 1.00 0.00 C ATOM 0 H LEU A 85 16.378 11.308 -13.815 1.00 0.00 H new ATOM 0 HA LEU A 85 15.850 8.644 -12.851 1.00 0.00 H new ATOM 0 HB2 LEU A 85 13.735 9.088 -13.339 1.00 0.00 H new ATOM 0 HB3 LEU A 85 14.329 10.735 -13.271 1.00 0.00 H new ATOM 0 HG LEU A 85 14.605 10.356 -15.881 1.00 0.00 H new ATOM 0 HD11 LEU A 85 12.622 9.070 -16.741 1.00 0.00 H new ATOM 0 HD12 LEU A 85 13.737 8.014 -15.842 1.00 0.00 H new ATOM 0 HD13 LEU A 85 12.235 8.581 -15.074 1.00 0.00 H new ATOM 0 HD21 LEU A 85 12.315 11.379 -16.128 1.00 0.00 H new ATOM 0 HD22 LEU A 85 11.938 10.895 -14.458 1.00 0.00 H new ATOM 0 HD23 LEU A 85 13.204 12.106 -14.769 1.00 0.00 H new ATOM 1022 N GLY A 86 17.036 8.872 -15.831 1.00 0.00 N ATOM 1023 CA GLY A 86 17.636 8.104 -16.927 1.00 0.00 C ATOM 1024 C GLY A 86 16.738 7.990 -18.161 1.00 0.00 C ATOM 1025 O GLY A 86 17.127 7.360 -19.146 1.00 0.00 O ATOM 0 H GLY A 86 17.265 9.865 -15.866 1.00 0.00 H new ATOM 0 HA2 GLY A 86 18.577 8.573 -17.215 1.00 0.00 H new ATOM 0 HA3 GLY A 86 17.875 7.103 -16.569 1.00 0.00 H new ATOM 1029 N ARG A 87 15.558 8.628 -18.128 1.00 0.00 N ATOM 1030 CA ARG A 87 14.661 8.813 -19.281 1.00 0.00 C ATOM 1031 C ARG A 87 14.241 10.279 -19.330 1.00 0.00 C ATOM 1032 O ARG A 87 13.720 10.802 -18.352 1.00 0.00 O ATOM 1033 CB ARG A 87 13.441 7.864 -19.179 1.00 0.00 C ATOM 1034 CG ARG A 87 13.211 7.009 -20.434 1.00 0.00 C ATOM 1035 CD ARG A 87 14.221 5.859 -20.541 1.00 0.00 C ATOM 1036 NE ARG A 87 13.971 5.041 -21.745 1.00 0.00 N ATOM 1037 CZ ARG A 87 14.741 4.076 -22.221 1.00 0.00 C ATOM 1038 NH1 ARG A 87 15.856 3.728 -21.642 1.00 0.00 N ATOM 1039 NH2 ARG A 87 14.399 3.435 -23.302 1.00 0.00 N ATOM 0 H ARG A 87 15.190 9.043 -17.272 1.00 0.00 H new ATOM 0 HA ARG A 87 15.176 8.560 -20.208 1.00 0.00 H new ATOM 0 HB2 ARG A 87 13.577 7.204 -18.322 1.00 0.00 H new ATOM 0 HB3 ARG A 87 12.547 8.457 -18.986 1.00 0.00 H new ATOM 0 HG2 ARG A 87 12.200 6.602 -20.415 1.00 0.00 H new ATOM 0 HG3 ARG A 87 13.285 7.639 -21.320 1.00 0.00 H new ATOM 0 HD2 ARG A 87 15.233 6.262 -20.575 1.00 0.00 H new ATOM 0 HD3 ARG A 87 14.158 5.232 -19.652 1.00 0.00 H new ATOM 0 HE ARG A 87 13.116 5.241 -22.264 1.00 0.00 H new ATOM 0 HH11 ARG A 87 16.160 4.205 -20.793 1.00 0.00 H new ATOM 0 HH12 ARG A 87 16.424 2.979 -22.038 1.00 0.00 H new ATOM 0 HH21 ARG A 87 13.534 3.676 -23.786 1.00 0.00 H new ATOM 0 HH22 ARG A 87 14.996 2.692 -23.665 1.00 0.00 H new ATOM 1053 N GLN A 88 14.457 10.956 -20.454 1.00 0.00 N ATOM 1054 CA GLN A 88 14.100 12.376 -20.587 1.00 0.00 C ATOM 1055 C GLN A 88 12.618 12.580 -20.965 1.00 0.00 C ATOM 1056 O GLN A 88 12.135 13.710 -20.969 1.00 0.00 O ATOM 1057 CB GLN A 88 15.098 13.097 -21.507 1.00 0.00 C ATOM 1058 CG GLN A 88 16.511 13.240 -20.898 1.00 0.00 C ATOM 1059 CD GLN A 88 17.342 11.954 -20.953 1.00 0.00 C ATOM 1060 OE1 GLN A 88 17.781 11.518 -22.009 1.00 0.00 O ATOM 1061 NE2 GLN A 88 17.575 11.270 -19.848 1.00 0.00 N ATOM 0 H GLN A 88 14.877 10.549 -21.290 1.00 0.00 H new ATOM 0 HA GLN A 88 14.189 12.849 -19.609 1.00 0.00 H new ATOM 0 HB2 GLN A 88 15.171 12.552 -22.448 1.00 0.00 H new ATOM 0 HB3 GLN A 88 14.711 14.088 -21.742 1.00 0.00 H new ATOM 0 HG2 GLN A 88 17.046 14.030 -21.426 1.00 0.00 H new ATOM 0 HG3 GLN A 88 16.418 13.557 -19.859 1.00 0.00 H new ATOM 0 HE21 GLN A 88 17.221 11.610 -18.954 1.00 0.00 H new ATOM 0 HE22 GLN A 88 18.109 10.402 -19.889 1.00 0.00 H new ATOM 1070 N SER A 89 11.871 11.501 -21.213 1.00 0.00 N ATOM 1071 CA SER A 89 10.411 11.506 -21.367 1.00 0.00 C ATOM 1072 C SER A 89 9.780 10.198 -20.868 1.00 0.00 C ATOM 1073 O SER A 89 10.353 9.113 -21.010 1.00 0.00 O ATOM 1074 CB SER A 89 10.023 11.806 -22.822 1.00 0.00 C ATOM 1075 OG SER A 89 10.512 10.809 -23.710 1.00 0.00 O ATOM 0 H SER A 89 12.276 10.571 -21.316 1.00 0.00 H new ATOM 0 HA SER A 89 10.011 12.304 -20.741 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.938 11.867 -22.905 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.420 12.779 -23.112 1.00 0.00 H new ATOM 0 HG SER A 89 10.246 11.029 -24.627 1.00 0.00 H new ATOM 1081 N PHE A 90 8.606 10.311 -20.240 1.00 0.00 N ATOM 1082 CA PHE A 90 7.794 9.204 -19.711 1.00 0.00 C ATOM 1083 C PHE A 90 6.329 9.656 -19.563 1.00 0.00 C ATOM 1084 O PHE A 90 6.053 10.855 -19.494 1.00 0.00 O ATOM 1085 CB PHE A 90 8.361 8.707 -18.363 1.00 0.00 C ATOM 1086 CG PHE A 90 8.361 9.732 -17.240 1.00 0.00 C ATOM 1087 CD1 PHE A 90 9.444 10.622 -17.088 1.00 0.00 C ATOM 1088 CD2 PHE A 90 7.271 9.806 -16.351 1.00 0.00 C ATOM 1089 CE1 PHE A 90 9.418 11.599 -16.076 1.00 0.00 C ATOM 1090 CE2 PHE A 90 7.248 10.780 -15.337 1.00 0.00 C ATOM 1091 CZ PHE A 90 8.317 11.684 -15.206 1.00 0.00 C ATOM 0 H PHE A 90 8.172 11.220 -20.077 1.00 0.00 H new ATOM 0 HA PHE A 90 7.831 8.370 -20.412 1.00 0.00 H new ATOM 0 HB2 PHE A 90 7.783 7.841 -18.042 1.00 0.00 H new ATOM 0 HB3 PHE A 90 9.384 8.366 -18.522 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.295 10.554 -17.750 1.00 0.00 H new ATOM 0 HD2 PHE A 90 6.449 9.112 -16.449 1.00 0.00 H new ATOM 0 HE1 PHE A 90 10.245 12.285 -15.967 1.00 0.00 H new ATOM 0 HE2 PHE A 90 6.409 10.834 -14.659 1.00 0.00 H new ATOM 0 HZ PHE A 90 8.292 12.443 -14.438 1.00 0.00 H new ATOM 1101 N SER A 91 5.386 8.711 -19.499 1.00 0.00 N ATOM 1102 CA SER A 91 3.963 9.000 -19.255 1.00 0.00 C ATOM 1103 C SER A 91 3.573 8.715 -17.807 1.00 0.00 C ATOM 1104 O SER A 91 4.062 7.764 -17.196 1.00 0.00 O ATOM 1105 CB SER A 91 3.080 8.200 -20.209 1.00 0.00 C ATOM 1106 OG SER A 91 1.714 8.488 -19.962 1.00 0.00 O ATOM 0 H SER A 91 5.586 7.718 -19.615 1.00 0.00 H new ATOM 0 HA SER A 91 3.808 10.063 -19.440 1.00 0.00 H new ATOM 0 HB2 SER A 91 3.331 8.445 -21.241 1.00 0.00 H new ATOM 0 HB3 SER A 91 3.264 7.133 -20.080 1.00 0.00 H new ATOM 0 HG SER A 91 1.154 7.972 -20.579 1.00 0.00 H new ATOM 1112 N VAL A 92 2.626 9.484 -17.268 1.00 0.00 N ATOM 1113 CA VAL A 92 2.067 9.276 -15.923 1.00 0.00 C ATOM 1114 C VAL A 92 1.319 7.938 -15.784 1.00 0.00 C ATOM 1115 O VAL A 92 1.257 7.380 -14.687 1.00 0.00 O ATOM 1116 CB VAL A 92 1.181 10.477 -15.551 1.00 0.00 C ATOM 1117 CG1 VAL A 92 -0.173 10.485 -16.269 1.00 0.00 C ATOM 1118 CG2 VAL A 92 0.959 10.556 -14.044 1.00 0.00 C ATOM 0 H VAL A 92 2.217 10.281 -17.756 1.00 0.00 H new ATOM 0 HA VAL A 92 2.895 9.212 -15.217 1.00 0.00 H new ATOM 0 HB VAL A 92 1.731 11.356 -15.888 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.744 11.360 -15.958 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.013 10.520 -17.347 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.726 9.581 -16.013 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.329 11.415 -13.814 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.470 9.645 -13.700 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.919 10.665 -13.540 1.00 0.00 H new ATOM 1128 N LYS A 93 0.809 7.386 -16.900 1.00 0.00 N ATOM 1129 CA LYS A 93 0.196 6.043 -16.978 1.00 0.00 C ATOM 1130 C LYS A 93 1.160 4.931 -17.431 1.00 0.00 C ATOM 1131 O LYS A 93 0.765 3.767 -17.501 1.00 0.00 O ATOM 1132 CB LYS A 93 -1.135 6.087 -17.752 1.00 0.00 C ATOM 1133 CG LYS A 93 -1.001 6.450 -19.237 1.00 0.00 C ATOM 1134 CD LYS A 93 -2.373 6.404 -19.931 1.00 0.00 C ATOM 1135 CE LYS A 93 -2.313 6.812 -21.412 1.00 0.00 C ATOM 1136 NZ LYS A 93 -1.684 5.769 -22.272 1.00 0.00 N ATOM 0 H LYS A 93 0.811 7.872 -17.797 1.00 0.00 H new ATOM 0 HA LYS A 93 -0.046 5.748 -15.957 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -1.619 5.113 -17.672 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -1.795 6.811 -17.273 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -0.570 7.446 -19.336 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -0.316 5.757 -19.726 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -2.779 5.395 -19.854 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -3.062 7.066 -19.406 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -3.323 7.012 -21.771 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -1.751 7.741 -21.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -1.669 6.096 -23.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -0.710 5.595 -21.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -2.233 4.888 -22.207 1.00 0.00 H new ATOM 1150 N ASP A 94 2.421 5.276 -17.711 1.00 0.00 N ATOM 1151 CA ASP A 94 3.520 4.333 -17.976 1.00 0.00 C ATOM 1152 C ASP A 94 4.835 4.750 -17.257 1.00 0.00 C ATOM 1153 O ASP A 94 5.860 4.968 -17.911 1.00 0.00 O ATOM 1154 CB ASP A 94 3.671 4.169 -19.500 1.00 0.00 C ATOM 1155 CG ASP A 94 4.583 2.992 -19.891 1.00 0.00 C ATOM 1156 OD1 ASP A 94 4.381 1.868 -19.371 1.00 0.00 O ATOM 1157 OD2 ASP A 94 5.465 3.166 -20.767 1.00 0.00 O ATOM 0 H ASP A 94 2.718 6.251 -17.762 1.00 0.00 H new ATOM 0 HA ASP A 94 3.281 3.357 -17.554 1.00 0.00 H new ATOM 0 HB2 ASP A 94 2.686 4.021 -19.943 1.00 0.00 H new ATOM 0 HB3 ASP A 94 4.075 5.090 -19.921 1.00 0.00 H new ATOM 1162 N PRO A 95 4.838 4.890 -15.910 1.00 0.00 N ATOM 1163 CA PRO A 95 5.961 5.413 -15.114 1.00 0.00 C ATOM 1164 C PRO A 95 7.086 4.379 -14.880 1.00 0.00 C ATOM 1165 O PRO A 95 7.806 4.452 -13.885 1.00 0.00 O ATOM 1166 CB PRO A 95 5.306 5.892 -13.811 1.00 0.00 C ATOM 1167 CG PRO A 95 4.224 4.837 -13.596 1.00 0.00 C ATOM 1168 CD PRO A 95 3.716 4.609 -15.017 1.00 0.00 C ATOM 0 HA PRO A 95 6.482 6.217 -15.633 1.00 0.00 H new ATOM 0 HB2 PRO A 95 6.016 5.923 -12.984 1.00 0.00 H new ATOM 0 HB3 PRO A 95 4.886 6.893 -13.909 1.00 0.00 H new ATOM 0 HG2 PRO A 95 4.626 3.925 -13.155 1.00 0.00 H new ATOM 0 HG3 PRO A 95 3.435 5.191 -12.933 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.367 3.584 -15.144 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.872 5.263 -15.237 1.00 0.00 H new ATOM 1176 N SER A 96 7.259 3.405 -15.776 1.00 0.00 N ATOM 1177 CA SER A 96 8.192 2.275 -15.623 1.00 0.00 C ATOM 1178 C SER A 96 9.656 2.677 -15.353 1.00 0.00 C ATOM 1179 O SER A 96 10.225 2.160 -14.385 1.00 0.00 O ATOM 1180 CB SER A 96 8.106 1.344 -16.839 1.00 0.00 C ATOM 1181 OG SER A 96 6.781 0.850 -16.976 1.00 0.00 O ATOM 0 H SER A 96 6.742 3.375 -16.655 1.00 0.00 H new ATOM 0 HA SER A 96 7.868 1.751 -14.724 1.00 0.00 H new ATOM 0 HB2 SER A 96 8.398 1.882 -17.741 1.00 0.00 H new ATOM 0 HB3 SER A 96 8.803 0.514 -16.723 1.00 0.00 H new ATOM 0 HG SER A 96 6.732 0.258 -17.755 1.00 0.00 H new ATOM 1187 N PRO A 97 10.282 3.621 -16.099 1.00 0.00 N ATOM 1188 CA PRO A 97 11.632 4.089 -15.764 1.00 0.00 C ATOM 1189 C PRO A 97 11.670 4.883 -14.449 1.00 0.00 C ATOM 1190 O PRO A 97 12.691 4.889 -13.766 1.00 0.00 O ATOM 1191 CB PRO A 97 12.079 4.947 -16.950 1.00 0.00 C ATOM 1192 CG PRO A 97 10.766 5.471 -17.527 1.00 0.00 C ATOM 1193 CD PRO A 97 9.815 4.295 -17.310 1.00 0.00 C ATOM 0 HA PRO A 97 12.303 3.246 -15.600 1.00 0.00 H new ATOM 0 HB2 PRO A 97 12.731 5.761 -16.633 1.00 0.00 H new ATOM 0 HB3 PRO A 97 12.634 4.361 -17.683 1.00 0.00 H new ATOM 0 HG2 PRO A 97 10.426 6.368 -17.011 1.00 0.00 H new ATOM 0 HG3 PRO A 97 10.860 5.727 -18.582 1.00 0.00 H new ATOM 0 HD2 PRO A 97 8.788 4.640 -17.194 1.00 0.00 H new ATOM 0 HD3 PRO A 97 9.829 3.618 -18.164 1.00 0.00 H new ATOM 1201 N LEU A 98 10.562 5.524 -14.056 1.00 0.00 N ATOM 1202 CA LEU A 98 10.467 6.296 -12.816 1.00 0.00 C ATOM 1203 C LEU A 98 10.426 5.382 -11.581 1.00 0.00 C ATOM 1204 O LEU A 98 11.147 5.624 -10.619 1.00 0.00 O ATOM 1205 CB LEU A 98 9.231 7.213 -12.887 1.00 0.00 C ATOM 1206 CG LEU A 98 9.325 8.411 -11.928 1.00 0.00 C ATOM 1207 CD1 LEU A 98 10.221 9.499 -12.520 1.00 0.00 C ATOM 1208 CD2 LEU A 98 7.943 9.013 -11.705 1.00 0.00 C ATOM 0 H LEU A 98 9.698 5.520 -14.598 1.00 0.00 H new ATOM 0 HA LEU A 98 11.360 6.912 -12.711 1.00 0.00 H new ATOM 0 HB2 LEU A 98 9.113 7.578 -13.907 1.00 0.00 H new ATOM 0 HB3 LEU A 98 8.339 6.633 -12.651 1.00 0.00 H new ATOM 0 HG LEU A 98 9.741 8.054 -10.986 1.00 0.00 H new ATOM 0 HD11 LEU A 98 10.277 10.340 -11.829 1.00 0.00 H new ATOM 0 HD12 LEU A 98 11.221 9.097 -12.685 1.00 0.00 H new ATOM 0 HD13 LEU A 98 9.805 9.837 -13.469 1.00 0.00 H new ATOM 0 HD21 LEU A 98 8.021 9.861 -11.024 1.00 0.00 H new ATOM 0 HD22 LEU A 98 7.534 9.349 -12.658 1.00 0.00 H new ATOM 0 HD23 LEU A 98 7.284 8.260 -11.273 1.00 0.00 H new ATOM 1220 N TYR A 99 9.655 4.293 -11.618 1.00 0.00 N ATOM 1221 CA TYR A 99 9.642 3.294 -10.539 1.00 0.00 C ATOM 1222 C TYR A 99 11.031 2.657 -10.376 1.00 0.00 C ATOM 1223 O TYR A 99 11.531 2.520 -9.257 1.00 0.00 O ATOM 1224 CB TYR A 99 8.581 2.218 -10.824 1.00 0.00 C ATOM 1225 CG TYR A 99 7.151 2.560 -10.413 1.00 0.00 C ATOM 1226 CD1 TYR A 99 6.573 3.812 -10.715 1.00 0.00 C ATOM 1227 CD2 TYR A 99 6.389 1.601 -9.712 1.00 0.00 C ATOM 1228 CE1 TYR A 99 5.258 4.111 -10.305 1.00 0.00 C ATOM 1229 CE2 TYR A 99 5.071 1.892 -9.308 1.00 0.00 C ATOM 1230 CZ TYR A 99 4.501 3.149 -9.601 1.00 0.00 C ATOM 1231 OH TYR A 99 3.225 3.421 -9.208 1.00 0.00 O ATOM 0 H TYR A 99 9.025 4.077 -12.390 1.00 0.00 H new ATOM 0 HA TYR A 99 9.386 3.794 -9.605 1.00 0.00 H new ATOM 0 HB2 TYR A 99 8.589 2.003 -11.893 1.00 0.00 H new ATOM 0 HB3 TYR A 99 8.875 1.302 -10.312 1.00 0.00 H new ATOM 0 HD1 TYR A 99 7.143 4.547 -11.265 1.00 0.00 H new ATOM 0 HD2 TYR A 99 6.819 0.637 -9.484 1.00 0.00 H new ATOM 0 HE1 TYR A 99 4.829 5.076 -10.529 1.00 0.00 H new ATOM 0 HE2 TYR A 99 4.496 1.151 -8.773 1.00 0.00 H new ATOM 0 HH TYR A 99 2.855 2.645 -8.737 1.00 0.00 H new ATOM 1241 N ASP A 100 11.691 2.341 -11.494 1.00 0.00 N ATOM 1242 CA ASP A 100 13.047 1.788 -11.508 1.00 0.00 C ATOM 1243 C ASP A 100 14.085 2.768 -10.943 1.00 0.00 C ATOM 1244 O ASP A 100 14.936 2.371 -10.145 1.00 0.00 O ATOM 1245 CB ASP A 100 13.397 1.383 -12.945 1.00 0.00 C ATOM 1246 CG ASP A 100 14.654 0.501 -13.015 1.00 0.00 C ATOM 1247 OD1 ASP A 100 14.656 -0.606 -12.427 1.00 0.00 O ATOM 1248 OD2 ASP A 100 15.642 0.906 -13.673 1.00 0.00 O ATOM 0 H ASP A 100 11.293 2.464 -12.425 1.00 0.00 H new ATOM 0 HA ASP A 100 13.072 0.914 -10.857 1.00 0.00 H new ATOM 0 HB2 ASP A 100 12.555 0.847 -13.384 1.00 0.00 H new ATOM 0 HB3 ASP A 100 13.552 2.280 -13.545 1.00 0.00 H new ATOM 1253 N MET A 101 13.987 4.060 -11.289 1.00 0.00 N ATOM 1254 CA MET A 101 14.851 5.101 -10.708 1.00 0.00 C ATOM 1255 C MET A 101 14.647 5.231 -9.197 1.00 0.00 C ATOM 1256 O MET A 101 15.624 5.270 -8.454 1.00 0.00 O ATOM 1257 CB MET A 101 14.722 6.451 -11.445 1.00 0.00 C ATOM 1258 CG MET A 101 13.790 7.512 -10.828 1.00 0.00 C ATOM 1259 SD MET A 101 14.557 8.690 -9.697 1.00 0.00 S ATOM 1260 CE MET A 101 13.245 9.940 -9.740 1.00 0.00 C ATOM 0 H MET A 101 13.315 4.411 -11.971 1.00 0.00 H new ATOM 0 HA MET A 101 15.881 4.777 -10.856 1.00 0.00 H new ATOM 0 HB2 MET A 101 15.718 6.886 -11.528 1.00 0.00 H new ATOM 0 HB3 MET A 101 14.377 6.249 -12.459 1.00 0.00 H new ATOM 0 HG2 MET A 101 13.324 8.071 -11.639 1.00 0.00 H new ATOM 0 HG3 MET A 101 12.991 6.997 -10.295 1.00 0.00 H new ATOM 0 HE1 MET A 101 13.561 10.778 -10.361 1.00 0.00 H new ATOM 0 HE2 MET A 101 12.338 9.502 -10.157 1.00 0.00 H new ATOM 0 HE3 MET A 101 13.045 10.293 -8.728 1.00 0.00 H new ATOM 1270 N LEU A 102 13.401 5.234 -8.715 1.00 0.00 N ATOM 1271 CA LEU A 102 13.097 5.397 -7.296 1.00 0.00 C ATOM 1272 C LEU A 102 13.688 4.220 -6.518 1.00 0.00 C ATOM 1273 O LEU A 102 14.500 4.442 -5.622 1.00 0.00 O ATOM 1274 CB LEU A 102 11.575 5.553 -7.092 1.00 0.00 C ATOM 1275 CG LEU A 102 10.987 6.892 -7.590 1.00 0.00 C ATOM 1276 CD1 LEU A 102 9.461 6.820 -7.575 1.00 0.00 C ATOM 1277 CD2 LEU A 102 11.413 8.085 -6.732 1.00 0.00 C ATOM 0 H LEU A 102 12.574 5.123 -9.302 1.00 0.00 H new ATOM 0 HA LEU A 102 13.554 6.308 -6.910 1.00 0.00 H new ATOM 0 HB2 LEU A 102 11.068 4.736 -7.607 1.00 0.00 H new ATOM 0 HB3 LEU A 102 11.353 5.447 -6.030 1.00 0.00 H new ATOM 0 HG LEU A 102 11.371 7.044 -8.599 1.00 0.00 H new ATOM 0 HD11 LEU A 102 9.049 7.766 -7.927 1.00 0.00 H new ATOM 0 HD12 LEU A 102 9.128 6.014 -8.229 1.00 0.00 H new ATOM 0 HD13 LEU A 102 9.116 6.629 -6.559 1.00 0.00 H new ATOM 0 HD21 LEU A 102 10.969 8.997 -7.131 1.00 0.00 H new ATOM 0 HD22 LEU A 102 11.075 7.935 -5.707 1.00 0.00 H new ATOM 0 HD23 LEU A 102 12.499 8.174 -6.746 1.00 0.00 H new ATOM 1289 N ARG A 103 13.421 2.984 -6.960 1.00 0.00 N ATOM 1290 CA ARG A 103 13.934 1.742 -6.348 1.00 0.00 C ATOM 1291 C ARG A 103 15.468 1.611 -6.327 1.00 0.00 C ATOM 1292 O ARG A 103 15.974 0.817 -5.532 1.00 0.00 O ATOM 1293 CB ARG A 103 13.293 0.531 -7.052 1.00 0.00 C ATOM 1294 CG ARG A 103 11.815 0.358 -6.663 1.00 0.00 C ATOM 1295 CD ARG A 103 11.173 -0.792 -7.449 1.00 0.00 C ATOM 1296 NE ARG A 103 9.784 -1.036 -7.005 1.00 0.00 N ATOM 1297 CZ ARG A 103 9.368 -1.898 -6.091 1.00 0.00 C ATOM 1298 NH1 ARG A 103 10.188 -2.662 -5.425 1.00 0.00 N ATOM 1299 NH2 ARG A 103 8.098 -2.009 -5.823 1.00 0.00 N ATOM 0 H ARG A 103 12.829 2.811 -7.772 1.00 0.00 H new ATOM 0 HA ARG A 103 13.649 1.779 -5.297 1.00 0.00 H new ATOM 0 HB2 ARG A 103 13.372 0.655 -8.132 1.00 0.00 H new ATOM 0 HB3 ARG A 103 13.845 -0.373 -6.794 1.00 0.00 H new ATOM 0 HG2 ARG A 103 11.737 0.161 -5.594 1.00 0.00 H new ATOM 0 HG3 ARG A 103 11.273 1.284 -6.857 1.00 0.00 H new ATOM 0 HD2 ARG A 103 11.181 -0.557 -8.513 1.00 0.00 H new ATOM 0 HD3 ARG A 103 11.763 -1.699 -7.318 1.00 0.00 H new ATOM 0 HE ARG A 103 9.062 -0.474 -7.456 1.00 0.00 H new ATOM 0 HH11 ARG A 103 11.191 -2.608 -5.600 1.00 0.00 H new ATOM 0 HH12 ARG A 103 9.826 -3.313 -4.728 1.00 0.00 H new ATOM 0 HH21 ARG A 103 7.420 -1.430 -6.318 1.00 0.00 H new ATOM 0 HH22 ARG A 103 7.782 -2.675 -5.118 1.00 0.00 H new ATOM 1313 N LYS A 104 16.213 2.387 -7.135 1.00 0.00 N ATOM 1314 CA LYS A 104 17.691 2.456 -7.083 1.00 0.00 C ATOM 1315 C LYS A 104 18.252 3.734 -6.443 1.00 0.00 C ATOM 1316 O LYS A 104 19.459 3.818 -6.216 1.00 0.00 O ATOM 1317 CB LYS A 104 18.286 2.138 -8.465 1.00 0.00 C ATOM 1318 CG LYS A 104 18.316 3.321 -9.447 1.00 0.00 C ATOM 1319 CD LYS A 104 18.818 2.925 -10.845 1.00 0.00 C ATOM 1320 CE LYS A 104 17.780 2.063 -11.575 1.00 0.00 C ATOM 1321 NZ LYS A 104 18.203 1.704 -12.954 1.00 0.00 N ATOM 0 H LYS A 104 15.806 2.990 -7.850 1.00 0.00 H new ATOM 0 HA LYS A 104 18.020 1.681 -6.391 1.00 0.00 H new ATOM 0 HB2 LYS A 104 19.304 1.771 -8.330 1.00 0.00 H new ATOM 0 HB3 LYS A 104 17.712 1.327 -8.913 1.00 0.00 H new ATOM 0 HG2 LYS A 104 17.314 3.742 -9.532 1.00 0.00 H new ATOM 0 HG3 LYS A 104 18.958 4.105 -9.044 1.00 0.00 H new ATOM 0 HD2 LYS A 104 19.027 3.822 -11.428 1.00 0.00 H new ATOM 0 HD3 LYS A 104 19.756 2.376 -10.757 1.00 0.00 H new ATOM 0 HE2 LYS A 104 17.604 1.151 -11.004 1.00 0.00 H new ATOM 0 HE3 LYS A 104 16.833 2.600 -11.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 17.384 1.349 -13.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 18.587 2.545 -13.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 18.935 0.966 -12.912 1.00 0.00 H new ATOM 1335 N ASN A 105 17.399 4.719 -6.136 1.00 0.00 N ATOM 1336 CA ASN A 105 17.793 5.954 -5.444 1.00 0.00 C ATOM 1337 C ASN A 105 17.421 5.865 -3.953 1.00 0.00 C ATOM 1338 O ASN A 105 18.276 5.810 -3.071 1.00 0.00 O ATOM 1339 CB ASN A 105 17.120 7.164 -6.128 1.00 0.00 C ATOM 1340 CG ASN A 105 17.916 7.675 -7.312 1.00 0.00 C ATOM 1341 OD1 ASN A 105 18.674 8.626 -7.220 1.00 0.00 O ATOM 1342 ND2 ASN A 105 17.777 7.030 -8.438 1.00 0.00 N ATOM 0 H ASN A 105 16.405 4.681 -6.363 1.00 0.00 H new ATOM 0 HA ASN A 105 18.873 6.085 -5.507 1.00 0.00 H new ATOM 0 HB2 ASN A 105 16.121 6.881 -6.460 1.00 0.00 H new ATOM 0 HB3 ASN A 105 16.999 7.967 -5.401 1.00 0.00 H new ATOM 0 HD21 ASN A 105 18.307 7.319 -9.260 1.00 0.00 H new ATOM 0 HD22 ASN A 105 17.138 6.237 -8.496 1.00 0.00 H new ATOM 1349 N LEU A 106 16.113 5.840 -3.705 1.00 0.00 N ATOM 1350 CA LEU A 106 15.481 5.693 -2.389 1.00 0.00 C ATOM 1351 C LEU A 106 15.748 4.295 -1.799 1.00 0.00 C ATOM 1352 O LEU A 106 16.010 3.333 -2.525 1.00 0.00 O ATOM 1353 CB LEU A 106 13.950 5.894 -2.517 1.00 0.00 C ATOM 1354 CG LEU A 106 13.410 7.316 -2.765 1.00 0.00 C ATOM 1355 CD1 LEU A 106 13.909 7.966 -4.052 1.00 0.00 C ATOM 1356 CD2 LEU A 106 11.885 7.236 -2.843 1.00 0.00 C ATOM 0 H LEU A 106 15.426 5.926 -4.454 1.00 0.00 H new ATOM 0 HA LEU A 106 15.908 6.446 -1.726 1.00 0.00 H new ATOM 0 HB2 LEU A 106 13.600 5.260 -3.332 1.00 0.00 H new ATOM 0 HB3 LEU A 106 13.490 5.520 -1.602 1.00 0.00 H new ATOM 0 HG LEU A 106 13.769 7.933 -1.941 1.00 0.00 H new ATOM 0 HD11 LEU A 106 13.479 8.963 -4.146 1.00 0.00 H new ATOM 0 HD12 LEU A 106 14.996 8.040 -4.024 1.00 0.00 H new ATOM 0 HD13 LEU A 106 13.608 7.359 -4.906 1.00 0.00 H new ATOM 0 HD21 LEU A 106 11.477 8.231 -3.018 1.00 0.00 H new ATOM 0 HD22 LEU A 106 11.597 6.576 -3.661 1.00 0.00 H new ATOM 0 HD23 LEU A 106 11.493 6.843 -1.905 1.00 0.00 H new ATOM 1368 N VAL A 107 15.560 4.157 -0.483 1.00 0.00 N ATOM 1369 CA VAL A 107 15.545 2.856 0.226 1.00 0.00 C ATOM 1370 C VAL A 107 14.227 2.087 0.027 1.00 0.00 C ATOM 1371 O VAL A 107 13.570 1.665 0.979 1.00 0.00 O ATOM 1372 CB VAL A 107 15.929 2.968 1.713 1.00 0.00 C ATOM 1373 CG1 VAL A 107 17.405 3.355 1.860 1.00 0.00 C ATOM 1374 CG2 VAL A 107 15.075 3.971 2.504 1.00 0.00 C ATOM 0 H VAL A 107 15.411 4.953 0.137 1.00 0.00 H new ATOM 0 HA VAL A 107 16.330 2.263 -0.244 1.00 0.00 H new ATOM 0 HB VAL A 107 15.742 1.980 2.134 1.00 0.00 H new ATOM 0 HG11 VAL A 107 17.658 3.429 2.918 1.00 0.00 H new ATOM 0 HG12 VAL A 107 18.029 2.595 1.390 1.00 0.00 H new ATOM 0 HG13 VAL A 107 17.579 4.316 1.377 1.00 0.00 H new ATOM 0 HG21 VAL A 107 15.407 3.992 3.542 1.00 0.00 H new ATOM 0 HG22 VAL A 107 15.183 4.964 2.068 1.00 0.00 H new ATOM 0 HG23 VAL A 107 14.028 3.669 2.464 1.00 0.00 H new ATOM 1384 N THR A 108 13.833 1.900 -1.235 1.00 0.00 N ATOM 1385 CA THR A 108 12.715 1.029 -1.637 1.00 0.00 C ATOM 1386 C THR A 108 11.386 1.393 -0.954 1.00 0.00 C ATOM 1387 O THR A 108 10.795 0.600 -0.216 1.00 0.00 O ATOM 1388 CB THR A 108 13.103 -0.451 -1.452 1.00 0.00 C ATOM 1389 OG1 THR A 108 14.355 -0.698 -2.069 1.00 0.00 O ATOM 1390 CG2 THR A 108 12.108 -1.406 -2.141 1.00 0.00 C ATOM 0 H THR A 108 14.288 2.357 -2.025 1.00 0.00 H new ATOM 0 HA THR A 108 12.529 1.197 -2.698 1.00 0.00 H new ATOM 0 HB THR A 108 13.118 -0.630 -0.377 1.00 0.00 H new ATOM 0 HG1 THR A 108 14.599 -1.639 -1.948 1.00 0.00 H new ATOM 0 HG21 THR A 108 12.424 -2.437 -1.982 1.00 0.00 H new ATOM 0 HG22 THR A 108 11.114 -1.262 -1.718 1.00 0.00 H new ATOM 0 HG23 THR A 108 12.082 -1.195 -3.210 1.00 0.00 H new ATOM 1398 N LEU A 109 10.913 2.624 -1.183 1.00 0.00 N ATOM 1399 CA LEU A 109 9.555 3.032 -0.804 1.00 0.00 C ATOM 1400 C LEU A 109 8.624 2.911 -2.015 1.00 0.00 C ATOM 1401 O LEU A 109 8.983 3.288 -3.132 1.00 0.00 O ATOM 1402 CB LEU A 109 9.522 4.440 -0.191 1.00 0.00 C ATOM 1403 CG LEU A 109 10.274 4.619 1.137 1.00 0.00 C ATOM 1404 CD1 LEU A 109 9.869 5.966 1.730 1.00 0.00 C ATOM 1405 CD2 LEU A 109 9.954 3.552 2.184 1.00 0.00 C ATOM 0 H LEU A 109 11.456 3.361 -1.633 1.00 0.00 H new ATOM 0 HA LEU A 109 9.199 2.359 -0.024 1.00 0.00 H new ATOM 0 HB2 LEU A 109 9.937 5.140 -0.917 1.00 0.00 H new ATOM 0 HB3 LEU A 109 8.481 4.722 -0.036 1.00 0.00 H new ATOM 0 HG LEU A 109 11.337 4.544 0.906 1.00 0.00 H new ATOM 0 HD11 LEU A 109 10.390 6.119 2.675 1.00 0.00 H new ATOM 0 HD12 LEU A 109 10.135 6.764 1.036 1.00 0.00 H new ATOM 0 HD13 LEU A 109 8.793 5.979 1.902 1.00 0.00 H new ATOM 0 HD21 LEU A 109 10.525 3.750 3.091 1.00 0.00 H new ATOM 0 HD22 LEU A 109 8.889 3.575 2.413 1.00 0.00 H new ATOM 0 HD23 LEU A 109 10.220 2.569 1.795 1.00 0.00 H new ATOM 1417 N ALA A 110 7.429 2.375 -1.777 1.00 0.00 N ATOM 1418 CA ALA A 110 6.464 1.998 -2.806 1.00 0.00 C ATOM 1419 C ALA A 110 5.021 2.246 -2.314 1.00 0.00 C ATOM 1420 O ALA A 110 4.730 2.099 -1.123 1.00 0.00 O ATOM 1421 CB ALA A 110 6.739 0.528 -3.163 1.00 0.00 C ATOM 0 H ALA A 110 7.095 2.185 -0.832 1.00 0.00 H new ATOM 0 HA ALA A 110 6.571 2.608 -3.703 1.00 0.00 H new ATOM 0 HB1 ALA A 110 6.038 0.203 -3.932 1.00 0.00 H new ATOM 0 HB2 ALA A 110 7.758 0.429 -3.536 1.00 0.00 H new ATOM 0 HB3 ALA A 110 6.616 -0.091 -2.275 1.00 0.00 H new ATOM 1427 N THR A 111 4.124 2.656 -3.218 1.00 0.00 N ATOM 1428 CA THR A 111 2.745 3.078 -2.890 1.00 0.00 C ATOM 1429 C THR A 111 1.739 2.745 -3.999 1.00 0.00 C ATOM 1430 O THR A 111 2.106 2.547 -5.167 1.00 0.00 O ATOM 1431 CB THR A 111 2.709 4.578 -2.531 1.00 0.00 C ATOM 1432 OG1 THR A 111 1.439 4.939 -2.023 1.00 0.00 O ATOM 1433 CG2 THR A 111 3.058 5.526 -3.684 1.00 0.00 C ATOM 0 H THR A 111 4.333 2.707 -4.215 1.00 0.00 H new ATOM 0 HA THR A 111 2.435 2.503 -2.018 1.00 0.00 H new ATOM 0 HB THR A 111 3.488 4.697 -1.778 1.00 0.00 H new ATOM 0 HG1 THR A 111 1.435 5.893 -1.799 1.00 0.00 H new ATOM 0 HG21 THR A 111 3.006 6.557 -3.335 1.00 0.00 H new ATOM 0 HG22 THR A 111 4.067 5.313 -4.038 1.00 0.00 H new ATOM 0 HG23 THR A 111 2.350 5.383 -4.500 1.00 0.00 H new TER 1441 THR A 111 HETATM 1442 N 48L A 200 -0.656 12.505 -10.881 1.00 0.00 N HETATM 1443 CG1 48L A 200 2.555 13.381 -10.506 1.00 0.00 C HETATM 1444 CG2 48L A 200 0.937 11.271 -9.302 1.00 0.00 C HETATM 1445 CG3 48L A 200 -0.980 13.657 -12.989 1.00 0.00 C HETATM 1446 CD1 48L A 200 2.772 12.951 -11.820 1.00 0.00 C HETATM 1447 CD2 48L A 200 3.643 13.481 -9.639 1.00 0.00 C HETATM 1448 CD3 48L A 200 1.293 10.339 -10.281 1.00 0.00 C HETATM 1449 CD4 48L A 200 1.261 11.003 -7.967 1.00 0.00 C HETATM 1450 CD5 48L A 200 -2.087 12.881 -13.357 1.00 0.00 C HETATM 1451 CD6 48L A 200 -0.381 14.464 -13.973 1.00 0.00 C HETATM 1452 CE1 48L A 200 4.056 12.626 -12.257 1.00 0.00 C HETATM 1453 CE2 48L A 200 4.928 13.162 -10.076 1.00 0.00 C HETATM 1454 CE3 48L A 200 1.904 9.818 -7.613 1.00 0.00 C HETATM 1455 CE4 48L A 200 1.959 9.167 -9.928 1.00 0.00 C HETATM 1456 CE5 48L A 200 -2.656 12.995 -14.623 1.00 0.00 C HETATM 1457 CE6 48L A 200 -0.973 14.593 -15.229 1.00 0.00 C HETATM 1458 CZ1 48L A 200 5.133 12.738 -11.384 1.00 0.00 C HETATM 1459 CZ2 48L A 200 2.254 8.893 -8.595 1.00 0.00 C HETATM 1460 CZ3 48L A 200 -2.113 13.877 -15.555 1.00 0.00 C HETATM 1461 CL 48L A 200 6.726 12.347 -11.924 1.00 0.00 CL HETATM 1462 CM1 48L A 200 -3.915 13.502 -17.226 1.00 0.00 C HETATM 1463 CM2 48L A 200 2.268 14.219 -15.578 1.00 0.00 C HETATM 1464 CM3 48L A 200 3.029 16.012 -13.976 1.00 0.00 C HETATM 1465 C1 48L A 200 -1.481 18.614 -12.820 1.00 0.00 C HETATM 1466 N1 48L A 200 -2.616 17.925 -13.018 1.00 0.00 N HETATM 1467 O1 48L A 200 -1.401 19.734 -13.289 1.00 0.00 O HETATM 1468 C2 48L A 200 -2.897 16.601 -12.449 1.00 0.00 C HETATM 1469 N2 48L A 200 -0.569 16.574 -11.525 1.00 0.00 N HETATM 1470 C3 48L A 200 -1.991 16.276 -11.245 1.00 0.00 C HETATM 1471 N3 48L A 200 0.391 14.510 -10.991 1.00 0.00 N HETATM 1472 O3 48L A 200 -2.635 14.046 -16.822 1.00 0.00 O HETATM 1473 C4 48L A 200 -0.353 17.960 -12.023 1.00 0.00 C HETATM 1474 C5 48L A 200 0.482 15.856 -11.044 1.00 0.00 C HETATM 1475 O5 48L A 200 1.480 16.433 -10.649 1.00 0.00 O HETATM 1476 C6 48L A 200 -0.495 13.569 -11.575 1.00 0.00 C HETATM 1477 O6 48L A 200 0.854 15.038 -13.734 1.00 0.00 O HETATM 1478 C7 48L A 200 0.221 12.570 -9.675 1.00 0.00 C HETATM 1479 C8 48L A 200 1.161 13.766 -9.995 1.00 0.00 C HETATM 1480 C9 48L A 200 1.823 15.433 -14.736 1.00 0.00 C HETATM 1481 BR 48L A 200 2.482 7.943 -11.281 1.00 0.00 BR HETATM 1482 F 48L A 200 0.960 11.889 -6.999 1.00 0.00 F