USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 639 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 41 ASN : amide:sc= 0.511 X(o=0.93,f=0.71) USER MOD Set 1.2: A 67 THR OG1 : rot 100:sc= 0.418 USER MOD Set 2.1: A 48 CYS SG : rot 120:sc= 0.346 USER MOD Set 2.2: A 54 SER OG : rot 74:sc= 1.03 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0.559 K(o=0.56,f=-0.0074) USER MOD Single : A 15 GLN : amide:sc= 0.963 K(o=0.96,f=-0.046) USER MOD Single : A 17 HIS : no HD1:sc= -0.105 X(o=-0.11,f=-0.0072) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 ASN : amide:sc= 0.809 K(o=0.81,f=-0.8) USER MOD Single : A 27 LYS NZ :NH3+ 154:sc= 1.22 (180deg=0.987) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 179:sc= 1.22 (180deg=1.14) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 150:sc= 1.28 (180deg=0.881) USER MOD Single : A 47 TYR OH : rot 30:sc= 0.143 USER MOD Single : A 49 ASN : amide:sc= -1.54! K(o=-1.5!,f=-0.23) USER MOD Single : A 53 GLN : amide:sc= -0.3 X(o=-0.3,f=-0.23) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 58 LYS NZ :NH3+ 167:sc= 1.04 (180deg=0.915) USER MOD Single : A 62 SER OG : rot 64:sc= 1.2 USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot -165:sc= 1.28 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 71 ASN : amide:sc= 1.11 K(o=1.1,f=0.015) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 178:sc= 0 (180deg=-0.00674) USER MOD Single : A 82 LYS NZ :NH3+ -171:sc= 2.01 (180deg=1.9) USER MOD ----------------------------------------------------------------- ATOM 13 N GLU A 2 1.570 0.625 -3.787 1.00 0.00 N ATOM 14 CA GLU A 2 0.748 1.275 -4.801 1.00 0.00 C ATOM 15 C GLU A 2 -0.291 2.168 -4.114 1.00 0.00 C ATOM 16 O GLU A 2 -0.591 1.982 -2.929 1.00 0.00 O ATOM 17 CB GLU A 2 0.075 0.214 -5.698 1.00 0.00 C ATOM 18 CG GLU A 2 -1.025 -0.613 -5.013 1.00 0.00 C ATOM 19 CD GLU A 2 -1.543 -1.731 -5.933 1.00 0.00 C ATOM 20 OE1 GLU A 2 -2.327 -1.436 -6.864 1.00 0.00 O ATOM 21 OE2 GLU A 2 -1.170 -2.909 -5.732 1.00 0.00 O ATOM 0 HA GLU A 2 1.372 1.900 -5.440 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -0.355 0.714 -6.566 1.00 0.00 H new ATOM 0 HB3 GLU A 2 0.842 -0.466 -6.069 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -0.635 -1.049 -4.093 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -1.851 0.040 -4.731 1.00 0.00 H new ATOM 28 N HIS A 3 -0.889 3.079 -4.881 1.00 0.00 N ATOM 29 CA HIS A 3 -2.050 3.882 -4.514 1.00 0.00 C ATOM 30 C HIS A 3 -2.887 4.055 -5.783 1.00 0.00 C ATOM 31 O HIS A 3 -2.334 4.036 -6.885 1.00 0.00 O ATOM 32 CB HIS A 3 -1.628 5.258 -3.968 1.00 0.00 C ATOM 33 CG HIS A 3 -1.045 5.230 -2.577 1.00 0.00 C ATOM 34 ND1 HIS A 3 -1.749 5.156 -1.394 1.00 0.00 N ATOM 35 CD2 HIS A 3 0.280 5.331 -2.248 1.00 0.00 C ATOM 36 CE1 HIS A 3 -0.868 5.206 -0.381 1.00 0.00 C ATOM 37 NE2 HIS A 3 0.390 5.317 -0.850 1.00 0.00 N ATOM 0 H HIS A 3 -0.558 3.286 -5.823 1.00 0.00 H new ATOM 0 HA HIS A 3 -2.617 3.387 -3.726 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -0.895 5.694 -4.646 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -2.496 5.917 -3.971 1.00 0.00 H new ATOM 0 HD2 HIS A 3 1.101 5.408 -2.946 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -1.132 5.163 0.665 1.00 0.00 H new ATOM 0 HE2 HIS A 3 1.247 5.378 -0.301 1.00 0.00 H new ATOM 45 N TRP A 4 -4.200 4.245 -5.630 1.00 0.00 N ATOM 46 CA TRP A 4 -5.145 4.373 -6.734 1.00 0.00 C ATOM 47 C TRP A 4 -5.700 5.786 -6.701 1.00 0.00 C ATOM 48 O TRP A 4 -6.403 6.144 -5.754 1.00 0.00 O ATOM 49 CB TRP A 4 -6.265 3.325 -6.612 1.00 0.00 C ATOM 50 CG TRP A 4 -5.869 1.926 -6.987 1.00 0.00 C ATOM 51 CD1 TRP A 4 -4.901 1.187 -6.398 1.00 0.00 C ATOM 52 CD2 TRP A 4 -6.392 1.089 -8.067 1.00 0.00 C ATOM 53 NE1 TRP A 4 -4.763 -0.018 -7.051 1.00 0.00 N ATOM 54 CE2 TRP A 4 -5.658 -0.136 -8.090 1.00 0.00 C ATOM 55 CE3 TRP A 4 -7.404 1.247 -9.039 1.00 0.00 C ATOM 56 CZ2 TRP A 4 -5.900 -1.140 -9.040 1.00 0.00 C ATOM 57 CZ3 TRP A 4 -7.668 0.238 -9.984 1.00 0.00 C ATOM 58 CH2 TRP A 4 -6.916 -0.950 -9.991 1.00 0.00 C ATOM 0 H TRP A 4 -4.642 4.315 -4.713 1.00 0.00 H new ATOM 0 HA TRP A 4 -4.649 4.193 -7.688 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -6.627 3.321 -5.584 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -7.099 3.632 -7.243 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -4.321 1.497 -5.541 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -4.082 -0.734 -6.796 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -7.985 2.157 -9.058 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -5.313 -2.047 -9.040 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -8.455 0.377 -10.710 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -7.119 -1.715 -10.726 1.00 0.00 H new ATOM 69 N ILE A 5 -5.366 6.587 -7.712 1.00 0.00 N ATOM 70 CA ILE A 5 -5.766 7.979 -7.808 1.00 0.00 C ATOM 71 C ILE A 5 -6.707 8.057 -9.009 1.00 0.00 C ATOM 72 O ILE A 5 -6.296 7.858 -10.154 1.00 0.00 O ATOM 73 CB ILE A 5 -4.546 8.929 -7.957 1.00 0.00 C ATOM 74 CG1 ILE A 5 -3.529 8.942 -6.789 1.00 0.00 C ATOM 75 CG2 ILE A 5 -5.035 10.383 -8.096 1.00 0.00 C ATOM 76 CD1 ILE A 5 -2.750 7.645 -6.558 1.00 0.00 C ATOM 0 H ILE A 5 -4.798 6.275 -8.500 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.263 8.310 -6.896 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.031 8.536 -8.834 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -2.813 9.745 -6.967 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.064 9.189 -5.872 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -4.177 11.047 -8.200 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -5.671 10.470 -8.977 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -5.604 10.662 -7.209 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -2.070 7.774 -5.716 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -3.447 6.836 -6.341 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.177 7.400 -7.453 1.00 0.00 H new ATOM 88 N ASP A 6 -7.984 8.310 -8.747 1.00 0.00 N ATOM 89 CA ASP A 6 -8.927 8.691 -9.784 1.00 0.00 C ATOM 90 C ASP A 6 -8.515 10.095 -10.223 1.00 0.00 C ATOM 91 O ASP A 6 -8.372 10.977 -9.370 1.00 0.00 O ATOM 92 CB ASP A 6 -10.342 8.706 -9.205 1.00 0.00 C ATOM 93 CG ASP A 6 -11.431 8.930 -10.257 1.00 0.00 C ATOM 94 OD1 ASP A 6 -11.167 9.428 -11.373 1.00 0.00 O ATOM 95 OD2 ASP A 6 -12.595 8.602 -9.945 1.00 0.00 O ATOM 0 H ASP A 6 -8.391 8.256 -7.813 1.00 0.00 H new ATOM 0 HA ASP A 6 -8.920 7.996 -10.624 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -10.528 7.760 -8.697 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -10.409 9.491 -8.452 1.00 0.00 H new ATOM 100 N VAL A 7 -8.322 10.330 -11.516 1.00 0.00 N ATOM 101 CA VAL A 7 -7.895 11.624 -12.043 1.00 0.00 C ATOM 102 C VAL A 7 -8.992 12.269 -12.901 1.00 0.00 C ATOM 103 O VAL A 7 -8.751 13.308 -13.519 1.00 0.00 O ATOM 104 CB VAL A 7 -6.522 11.503 -12.744 1.00 0.00 C ATOM 105 CG1 VAL A 7 -5.389 11.114 -11.781 1.00 0.00 C ATOM 106 CG2 VAL A 7 -6.515 10.469 -13.873 1.00 0.00 C ATOM 0 H VAL A 7 -8.459 9.621 -12.237 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.743 12.316 -11.214 1.00 0.00 H new ATOM 0 HB VAL A 7 -6.350 12.501 -13.146 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.451 11.045 -12.332 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.297 11.871 -11.002 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -5.614 10.150 -11.325 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -5.524 10.431 -14.325 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.768 9.488 -13.470 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -7.248 10.751 -14.629 1.00 0.00 H new ATOM 116 N ARG A 8 -10.206 11.701 -12.950 1.00 0.00 N ATOM 117 CA ARG A 8 -11.339 12.374 -13.591 1.00 0.00 C ATOM 118 C ARG A 8 -11.697 13.654 -12.836 1.00 0.00 C ATOM 119 O ARG A 8 -11.306 13.828 -11.675 1.00 0.00 O ATOM 120 CB ARG A 8 -12.504 11.400 -13.794 1.00 0.00 C ATOM 121 CG ARG A 8 -13.526 11.332 -12.670 1.00 0.00 C ATOM 122 CD ARG A 8 -14.521 10.219 -12.999 1.00 0.00 C ATOM 123 NE ARG A 8 -14.179 8.986 -12.298 1.00 0.00 N ATOM 124 CZ ARG A 8 -15.101 8.138 -11.845 1.00 0.00 C ATOM 125 NH1 ARG A 8 -16.341 8.108 -12.326 1.00 0.00 N ATOM 126 NH2 ARG A 8 -14.784 7.345 -10.848 1.00 0.00 N ATOM 0 H ARG A 8 -10.425 10.786 -12.557 1.00 0.00 H new ATOM 0 HA ARG A 8 -11.061 12.697 -14.594 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -13.023 11.673 -14.713 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -12.094 10.402 -13.945 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -13.033 11.132 -11.719 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -14.043 12.286 -12.567 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -15.527 10.532 -12.721 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -14.529 10.040 -14.074 1.00 0.00 H new ATOM 0 HE ARG A 8 -13.195 8.764 -12.149 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -16.615 8.750 -13.069 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -17.017 7.443 -11.951 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -13.850 7.388 -10.439 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -15.471 6.686 -10.482 1.00 0.00 H new ATOM 140 N VAL A 9 -12.445 14.538 -13.504 1.00 0.00 N ATOM 141 CA VAL A 9 -12.906 15.792 -12.916 1.00 0.00 C ATOM 142 C VAL A 9 -13.660 15.487 -11.609 1.00 0.00 C ATOM 143 O VAL A 9 -14.348 14.461 -11.539 1.00 0.00 O ATOM 144 CB VAL A 9 -13.707 16.633 -13.935 1.00 0.00 C ATOM 145 CG1 VAL A 9 -12.781 17.143 -15.050 1.00 0.00 C ATOM 146 CG2 VAL A 9 -14.884 15.880 -14.566 1.00 0.00 C ATOM 0 H VAL A 9 -12.746 14.401 -14.469 1.00 0.00 H new ATOM 0 HA VAL A 9 -12.056 16.422 -12.654 1.00 0.00 H new ATOM 0 HB VAL A 9 -14.125 17.466 -13.370 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -13.359 17.734 -15.761 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -11.996 17.763 -14.616 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -12.330 16.295 -15.565 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -15.399 16.534 -15.270 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -14.513 15.000 -15.092 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -15.578 15.570 -13.785 1.00 0.00 H new ATOM 156 N PRO A 10 -13.574 16.337 -10.570 1.00 0.00 N ATOM 157 CA PRO A 10 -14.065 15.963 -9.247 1.00 0.00 C ATOM 158 C PRO A 10 -15.574 15.701 -9.261 1.00 0.00 C ATOM 159 O PRO A 10 -16.057 14.786 -8.592 1.00 0.00 O ATOM 160 CB PRO A 10 -13.654 17.103 -8.310 1.00 0.00 C ATOM 161 CG PRO A 10 -13.439 18.307 -9.230 1.00 0.00 C ATOM 162 CD PRO A 10 -13.056 17.700 -10.581 1.00 0.00 C ATOM 0 HA PRO A 10 -13.634 15.023 -8.903 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -14.428 17.304 -7.569 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -12.745 16.856 -7.762 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -14.343 18.911 -9.309 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.652 18.959 -8.851 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -13.485 18.274 -11.402 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -11.975 17.705 -10.719 1.00 0.00 H new ATOM 170 N GLU A 11 -16.310 16.439 -10.097 1.00 0.00 N ATOM 171 CA GLU A 11 -17.741 16.256 -10.284 1.00 0.00 C ATOM 172 C GLU A 11 -18.115 14.880 -10.830 1.00 0.00 C ATOM 173 O GLU A 11 -19.202 14.402 -10.518 1.00 0.00 O ATOM 174 CB GLU A 11 -18.321 17.354 -11.175 1.00 0.00 C ATOM 175 CG GLU A 11 -17.695 17.408 -12.568 1.00 0.00 C ATOM 176 CD GLU A 11 -18.267 18.563 -13.408 1.00 0.00 C ATOM 177 OE1 GLU A 11 -19.296 18.372 -14.095 1.00 0.00 O ATOM 178 OE2 GLU A 11 -17.689 19.673 -13.401 1.00 0.00 O ATOM 0 H GLU A 11 -15.918 17.188 -10.667 1.00 0.00 H new ATOM 0 HA GLU A 11 -18.181 16.326 -9.289 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -19.395 17.199 -11.275 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -18.182 18.318 -10.686 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -16.615 17.525 -12.477 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -17.871 16.463 -13.082 1.00 0.00 H new ATOM 185 N GLN A 12 -17.249 14.240 -11.624 1.00 0.00 N ATOM 186 CA GLN A 12 -17.527 12.933 -12.200 1.00 0.00 C ATOM 187 C GLN A 12 -17.086 11.873 -11.193 1.00 0.00 C ATOM 188 O GLN A 12 -17.779 10.871 -11.025 1.00 0.00 O ATOM 189 CB GLN A 12 -16.825 12.777 -13.568 1.00 0.00 C ATOM 190 CG GLN A 12 -17.554 13.530 -14.693 1.00 0.00 C ATOM 191 CD GLN A 12 -16.856 13.401 -16.053 1.00 0.00 C ATOM 192 OE1 GLN A 12 -15.871 12.685 -16.221 1.00 0.00 O ATOM 193 NE2 GLN A 12 -17.349 14.101 -17.063 1.00 0.00 N ATOM 0 H GLN A 12 -16.338 14.619 -11.881 1.00 0.00 H new ATOM 0 HA GLN A 12 -18.593 12.815 -12.394 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -15.802 13.146 -13.492 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -16.764 11.719 -13.823 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -18.572 13.150 -14.776 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -17.628 14.585 -14.428 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -18.166 14.694 -16.921 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -16.911 14.047 -17.983 1.00 0.00 H new ATOM 202 N TYR A 13 -15.967 12.103 -10.491 1.00 0.00 N ATOM 203 CA TYR A 13 -15.488 11.206 -9.445 1.00 0.00 C ATOM 204 C TYR A 13 -16.576 10.995 -8.390 1.00 0.00 C ATOM 205 O TYR A 13 -16.839 9.861 -7.987 1.00 0.00 O ATOM 206 CB TYR A 13 -14.191 11.752 -8.823 1.00 0.00 C ATOM 207 CG TYR A 13 -14.051 11.509 -7.329 1.00 0.00 C ATOM 208 CD1 TYR A 13 -13.666 10.245 -6.841 1.00 0.00 C ATOM 209 CD2 TYR A 13 -14.332 12.552 -6.424 1.00 0.00 C ATOM 210 CE1 TYR A 13 -13.509 10.046 -5.458 1.00 0.00 C ATOM 211 CE2 TYR A 13 -14.211 12.347 -5.039 1.00 0.00 C ATOM 212 CZ TYR A 13 -13.790 11.091 -4.548 1.00 0.00 C ATOM 213 OH TYR A 13 -13.644 10.907 -3.206 1.00 0.00 O ATOM 0 H TYR A 13 -15.372 12.919 -10.637 1.00 0.00 H new ATOM 0 HA TYR A 13 -15.259 10.235 -9.885 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -13.341 11.298 -9.332 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -14.138 12.825 -9.009 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -13.492 9.430 -7.528 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -14.643 13.516 -6.798 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -13.172 9.089 -5.088 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -14.439 13.148 -4.351 1.00 0.00 H new ATOM 0 HH TYR A 13 -13.881 11.733 -2.735 1.00 0.00 H new ATOM 223 N GLN A 14 -17.233 12.084 -7.976 1.00 0.00 N ATOM 224 CA GLN A 14 -18.212 12.073 -6.905 1.00 0.00 C ATOM 225 C GLN A 14 -19.405 11.153 -7.208 1.00 0.00 C ATOM 226 O GLN A 14 -20.052 10.683 -6.268 1.00 0.00 O ATOM 227 CB GLN A 14 -18.643 13.533 -6.661 1.00 0.00 C ATOM 228 CG GLN A 14 -19.628 13.747 -5.504 1.00 0.00 C ATOM 229 CD GLN A 14 -19.075 13.286 -4.153 1.00 0.00 C ATOM 230 OE1 GLN A 14 -18.511 14.069 -3.392 1.00 0.00 O ATOM 231 NE2 GLN A 14 -19.216 12.011 -3.829 1.00 0.00 N ATOM 0 H GLN A 14 -17.091 13.007 -8.387 1.00 0.00 H new ATOM 0 HA GLN A 14 -17.768 11.658 -6.000 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -17.751 14.130 -6.471 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -19.095 13.918 -7.575 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -19.884 14.805 -5.443 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -20.551 13.207 -5.716 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -19.686 11.371 -4.469 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -18.855 11.668 -2.939 1.00 0.00 H new ATOM 240 N GLN A 15 -19.715 10.907 -8.487 1.00 0.00 N ATOM 241 CA GLN A 15 -20.902 10.159 -8.874 1.00 0.00 C ATOM 242 C GLN A 15 -20.740 8.675 -8.517 1.00 0.00 C ATOM 243 O GLN A 15 -21.626 8.105 -7.882 1.00 0.00 O ATOM 244 CB GLN A 15 -21.199 10.354 -10.375 1.00 0.00 C ATOM 245 CG GLN A 15 -21.290 11.829 -10.820 1.00 0.00 C ATOM 246 CD GLN A 15 -22.256 12.674 -9.985 1.00 0.00 C ATOM 247 OE1 GLN A 15 -23.388 12.282 -9.708 1.00 0.00 O ATOM 248 NE2 GLN A 15 -21.827 13.851 -9.562 1.00 0.00 N ATOM 0 H GLN A 15 -19.148 11.222 -9.274 1.00 0.00 H new ATOM 0 HA GLN A 15 -21.757 10.542 -8.317 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -20.419 9.860 -10.954 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -22.139 9.856 -10.615 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -20.297 12.275 -10.769 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -21.602 11.864 -11.864 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -20.886 14.166 -9.798 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -22.437 14.444 -9.000 1.00 0.00 H new ATOM 257 N GLU A 16 -19.613 8.057 -8.886 1.00 0.00 N ATOM 258 CA GLU A 16 -19.304 6.654 -8.618 1.00 0.00 C ATOM 259 C GLU A 16 -17.813 6.453 -8.884 1.00 0.00 C ATOM 260 O GLU A 16 -17.336 6.885 -9.936 1.00 0.00 O ATOM 261 CB GLU A 16 -20.139 5.755 -9.554 1.00 0.00 C ATOM 262 CG GLU A 16 -19.848 4.262 -9.354 1.00 0.00 C ATOM 263 CD GLU A 16 -20.873 3.371 -10.081 1.00 0.00 C ATOM 264 OE1 GLU A 16 -20.951 3.412 -11.330 1.00 0.00 O ATOM 265 OE2 GLU A 16 -21.602 2.609 -9.408 1.00 0.00 O ATOM 0 H GLU A 16 -18.870 8.536 -9.395 1.00 0.00 H new ATOM 0 HA GLU A 16 -19.543 6.391 -7.587 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -21.199 5.941 -9.380 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -19.934 6.026 -10.590 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -18.847 4.036 -9.721 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -19.857 4.030 -8.289 1.00 0.00 H new ATOM 272 N HIS A 17 -17.070 5.786 -7.995 1.00 0.00 N ATOM 273 CA HIS A 17 -15.644 5.513 -8.187 1.00 0.00 C ATOM 274 C HIS A 17 -15.247 4.170 -7.575 1.00 0.00 C ATOM 275 O HIS A 17 -15.995 3.607 -6.775 1.00 0.00 O ATOM 276 CB HIS A 17 -14.795 6.680 -7.651 1.00 0.00 C ATOM 277 CG HIS A 17 -14.549 6.670 -6.164 1.00 0.00 C ATOM 278 ND1 HIS A 17 -15.479 6.882 -5.171 1.00 0.00 N ATOM 279 CD2 HIS A 17 -13.335 6.497 -5.553 1.00 0.00 C ATOM 280 CE1 HIS A 17 -14.837 6.836 -3.990 1.00 0.00 C ATOM 281 NE2 HIS A 17 -13.524 6.602 -4.168 1.00 0.00 N ATOM 0 H HIS A 17 -17.443 5.419 -7.119 1.00 0.00 H new ATOM 0 HA HIS A 17 -15.447 5.433 -9.256 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -13.832 6.671 -8.162 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -15.287 7.616 -7.915 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -12.395 6.312 -6.052 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -15.311 6.969 -3.029 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -12.811 6.518 -3.443 1.00 0.00 H new ATOM 289 N VAL A 18 -14.096 3.636 -7.989 1.00 0.00 N ATOM 290 CA VAL A 18 -13.603 2.333 -7.555 1.00 0.00 C ATOM 291 C VAL A 18 -13.287 2.414 -6.057 1.00 0.00 C ATOM 292 O VAL A 18 -12.698 3.391 -5.588 1.00 0.00 O ATOM 293 CB VAL A 18 -12.383 1.912 -8.406 1.00 0.00 C ATOM 294 CG1 VAL A 18 -11.897 0.503 -8.044 1.00 0.00 C ATOM 295 CG2 VAL A 18 -12.712 1.914 -9.911 1.00 0.00 C ATOM 0 H VAL A 18 -13.473 4.106 -8.645 1.00 0.00 H new ATOM 0 HA VAL A 18 -14.357 1.560 -7.703 1.00 0.00 H new ATOM 0 HB VAL A 18 -11.605 2.644 -8.190 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -11.039 0.244 -8.664 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -11.607 0.477 -6.994 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -12.699 -0.214 -8.217 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -11.830 1.613 -10.477 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -13.525 1.215 -10.107 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -13.014 2.916 -10.216 1.00 0.00 H new ATOM 305 N GLN A 19 -13.694 1.387 -5.309 1.00 0.00 N ATOM 306 CA GLN A 19 -13.471 1.288 -3.874 1.00 0.00 C ATOM 307 C GLN A 19 -11.962 1.298 -3.572 1.00 0.00 C ATOM 308 O GLN A 19 -11.175 0.709 -4.319 1.00 0.00 O ATOM 309 CB GLN A 19 -14.158 0.001 -3.384 1.00 0.00 C ATOM 310 CG GLN A 19 -14.219 -0.126 -1.856 1.00 0.00 C ATOM 311 CD GLN A 19 -14.977 -1.389 -1.441 1.00 0.00 C ATOM 312 OE1 GLN A 19 -16.177 -1.360 -1.183 1.00 0.00 O ATOM 313 NE2 GLN A 19 -14.304 -2.529 -1.378 1.00 0.00 N ATOM 0 H GLN A 19 -14.197 0.588 -5.695 1.00 0.00 H new ATOM 0 HA GLN A 19 -13.898 2.141 -3.346 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -15.172 -0.033 -3.783 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.627 -0.860 -3.790 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -13.208 -0.154 -1.449 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -14.708 0.752 -1.434 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -13.307 -2.545 -1.594 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -14.783 -3.390 -1.114 1.00 0.00 H new ATOM 322 N GLY A 20 -11.565 1.911 -2.451 1.00 0.00 N ATOM 323 CA GLY A 20 -10.186 1.877 -1.969 1.00 0.00 C ATOM 324 C GLY A 20 -9.260 2.756 -2.811 1.00 0.00 C ATOM 325 O GLY A 20 -8.199 2.296 -3.237 1.00 0.00 O ATOM 0 H GLY A 20 -12.196 2.445 -1.853 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -10.157 2.210 -0.932 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -9.822 0.850 -1.984 1.00 0.00 H new ATOM 329 N ALA A 21 -9.668 4.001 -3.077 1.00 0.00 N ATOM 330 CA ALA A 21 -8.942 4.963 -3.901 1.00 0.00 C ATOM 331 C ALA A 21 -9.067 6.376 -3.309 1.00 0.00 C ATOM 332 O ALA A 21 -9.819 6.600 -2.356 1.00 0.00 O ATOM 333 CB ALA A 21 -9.508 4.912 -5.328 1.00 0.00 C ATOM 0 H ALA A 21 -10.543 4.376 -2.710 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.882 4.709 -3.924 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.975 5.626 -5.956 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.383 3.908 -5.733 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.568 5.166 -5.308 1.00 0.00 H new ATOM 339 N ILE A 22 -8.354 7.329 -3.908 1.00 0.00 N ATOM 340 CA ILE A 22 -8.442 8.769 -3.661 1.00 0.00 C ATOM 341 C ILE A 22 -8.763 9.430 -5.012 1.00 0.00 C ATOM 342 O ILE A 22 -8.678 8.770 -6.050 1.00 0.00 O ATOM 343 CB ILE A 22 -7.126 9.258 -2.990 1.00 0.00 C ATOM 344 CG1 ILE A 22 -7.245 10.693 -2.427 1.00 0.00 C ATOM 345 CG2 ILE A 22 -5.911 9.158 -3.930 1.00 0.00 C ATOM 346 CD1 ILE A 22 -6.038 11.131 -1.586 1.00 0.00 C ATOM 0 H ILE A 22 -7.659 7.104 -4.620 1.00 0.00 H new ATOM 0 HA ILE A 22 -9.233 9.041 -2.962 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.961 8.580 -2.153 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.370 11.389 -3.256 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -8.145 10.760 -1.816 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.020 9.512 -3.412 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.768 8.120 -4.231 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.084 9.771 -4.814 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.195 12.148 -1.226 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.924 10.459 -0.736 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.137 11.098 -2.198 1.00 0.00 H new ATOM 358 N ASN A 23 -9.097 10.722 -5.036 1.00 0.00 N ATOM 359 CA ASN A 23 -9.266 11.480 -6.273 1.00 0.00 C ATOM 360 C ASN A 23 -8.424 12.735 -6.206 1.00 0.00 C ATOM 361 O ASN A 23 -8.522 13.503 -5.248 1.00 0.00 O ATOM 362 CB ASN A 23 -10.735 11.825 -6.518 1.00 0.00 C ATOM 363 CG ASN A 23 -10.972 12.874 -7.611 1.00 0.00 C ATOM 364 OD1 ASN A 23 -11.542 13.927 -7.349 1.00 0.00 O ATOM 365 ND2 ASN A 23 -10.563 12.632 -8.848 1.00 0.00 N ATOM 0 H ASN A 23 -9.258 11.273 -4.193 1.00 0.00 H new ATOM 0 HA ASN A 23 -8.935 10.866 -7.110 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -11.269 10.913 -6.786 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -11.170 12.186 -5.586 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -10.723 13.322 -9.582 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -10.089 11.756 -9.066 1.00 0.00 H new ATOM 372 N ILE A 24 -7.613 12.932 -7.239 1.00 0.00 N ATOM 373 CA ILE A 24 -6.845 14.138 -7.469 1.00 0.00 C ATOM 374 C ILE A 24 -7.036 14.369 -8.972 1.00 0.00 C ATOM 375 O ILE A 24 -6.340 13.734 -9.761 1.00 0.00 O ATOM 376 CB ILE A 24 -5.362 13.992 -7.043 1.00 0.00 C ATOM 377 CG1 ILE A 24 -5.192 13.443 -5.606 1.00 0.00 C ATOM 378 CG2 ILE A 24 -4.703 15.375 -7.167 1.00 0.00 C ATOM 379 CD1 ILE A 24 -3.735 13.191 -5.199 1.00 0.00 C ATOM 0 H ILE A 24 -7.471 12.227 -7.963 1.00 0.00 H new ATOM 0 HA ILE A 24 -7.175 14.987 -6.871 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.885 13.262 -7.697 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.637 14.149 -4.904 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.749 12.510 -5.517 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -3.655 15.307 -6.874 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.769 15.718 -8.199 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -5.217 16.082 -6.516 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.703 12.808 -4.179 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.289 12.461 -5.875 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.175 14.125 -5.253 1.00 0.00 H new ATOM 391 N PRO A 25 -8.045 15.158 -9.384 1.00 0.00 N ATOM 392 CA PRO A 25 -8.355 15.403 -10.789 1.00 0.00 C ATOM 393 C PRO A 25 -7.117 15.810 -11.585 1.00 0.00 C ATOM 394 O PRO A 25 -6.227 16.435 -11.019 1.00 0.00 O ATOM 395 CB PRO A 25 -9.390 16.529 -10.783 1.00 0.00 C ATOM 396 CG PRO A 25 -10.081 16.373 -9.430 1.00 0.00 C ATOM 397 CD PRO A 25 -8.966 15.881 -8.522 1.00 0.00 C ATOM 0 HA PRO A 25 -8.730 14.500 -11.271 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -8.919 17.507 -10.883 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -10.096 16.430 -11.608 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -10.498 17.317 -9.080 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -10.904 15.660 -9.479 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -8.467 16.715 -8.028 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -9.357 15.234 -7.737 1.00 0.00 H new ATOM 405 N LEU A 26 -7.079 15.548 -12.896 1.00 0.00 N ATOM 406 CA LEU A 26 -5.948 15.870 -13.778 1.00 0.00 C ATOM 407 C LEU A 26 -5.420 17.297 -13.561 1.00 0.00 C ATOM 408 O LEU A 26 -4.217 17.490 -13.388 1.00 0.00 O ATOM 409 CB LEU A 26 -6.383 15.643 -15.238 1.00 0.00 C ATOM 410 CG LEU A 26 -5.366 16.116 -16.298 1.00 0.00 C ATOM 411 CD1 LEU A 26 -4.078 15.292 -16.239 1.00 0.00 C ATOM 412 CD2 LEU A 26 -5.987 16.003 -17.693 1.00 0.00 C ATOM 0 H LEU A 26 -7.851 15.096 -13.386 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.116 15.210 -13.535 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.571 14.579 -15.385 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.328 16.160 -15.405 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.114 17.155 -16.088 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.382 15.650 -16.998 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.625 15.396 -15.253 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.309 14.243 -16.424 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.267 16.338 -18.440 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.257 14.965 -17.888 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.880 16.626 -17.745 1.00 0.00 H new ATOM 424 N LYS A 27 -6.323 18.285 -13.519 1.00 0.00 N ATOM 425 CA LYS A 27 -6.006 19.696 -13.274 1.00 0.00 C ATOM 426 C LYS A 27 -5.270 19.905 -11.942 1.00 0.00 C ATOM 427 O LYS A 27 -4.457 20.819 -11.816 1.00 0.00 O ATOM 428 CB LYS A 27 -7.337 20.472 -13.317 1.00 0.00 C ATOM 429 CG LYS A 27 -7.209 21.966 -12.988 1.00 0.00 C ATOM 430 CD LYS A 27 -8.567 22.672 -13.108 1.00 0.00 C ATOM 431 CE LYS A 27 -8.532 24.058 -12.449 1.00 0.00 C ATOM 432 NZ LYS A 27 -8.680 23.990 -10.973 1.00 0.00 N ATOM 0 H LYS A 27 -7.320 18.120 -13.658 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.322 20.063 -14.039 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -7.773 20.367 -14.310 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -8.033 20.015 -12.613 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.819 22.088 -11.977 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.492 22.431 -13.664 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -8.836 22.773 -14.160 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -9.339 22.063 -12.639 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.591 24.550 -12.694 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -9.330 24.674 -12.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.230 24.822 -10.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -9.690 23.975 -10.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.224 23.125 -10.618 1.00 0.00 H new ATOM 446 N GLU A 28 -5.557 19.065 -10.953 1.00 0.00 N ATOM 447 CA GLU A 28 -5.145 19.195 -9.567 1.00 0.00 C ATOM 448 C GLU A 28 -3.956 18.280 -9.233 1.00 0.00 C ATOM 449 O GLU A 28 -3.399 18.423 -8.145 1.00 0.00 O ATOM 450 CB GLU A 28 -6.346 18.838 -8.669 1.00 0.00 C ATOM 451 CG GLU A 28 -7.593 19.723 -8.859 1.00 0.00 C ATOM 452 CD GLU A 28 -7.330 21.198 -8.513 1.00 0.00 C ATOM 453 OE1 GLU A 28 -7.017 21.494 -7.337 1.00 0.00 O ATOM 454 OE2 GLU A 28 -7.458 22.063 -9.408 1.00 0.00 O ATOM 0 H GLU A 28 -6.117 18.227 -11.111 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.821 20.221 -9.394 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.624 17.801 -8.857 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.031 18.900 -7.627 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.931 19.651 -9.893 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.401 19.345 -8.232 1.00 0.00 H new ATOM 461 N VAL A 29 -3.549 17.356 -10.119 1.00 0.00 N ATOM 462 CA VAL A 29 -2.473 16.389 -9.856 1.00 0.00 C ATOM 463 C VAL A 29 -1.224 17.115 -9.355 1.00 0.00 C ATOM 464 O VAL A 29 -0.740 16.812 -8.263 1.00 0.00 O ATOM 465 CB VAL A 29 -2.214 15.512 -11.105 1.00 0.00 C ATOM 466 CG1 VAL A 29 -0.913 14.697 -11.036 1.00 0.00 C ATOM 467 CG2 VAL A 29 -3.352 14.501 -11.309 1.00 0.00 C ATOM 0 H VAL A 29 -3.962 17.259 -11.046 1.00 0.00 H new ATOM 0 HA VAL A 29 -2.777 15.707 -9.062 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.143 16.224 -11.928 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.803 14.109 -11.947 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.064 15.374 -10.936 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.947 14.029 -10.175 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.147 13.896 -12.193 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.425 13.854 -10.435 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.293 15.035 -11.444 1.00 0.00 H new ATOM 477 N LYS A 30 -0.748 18.123 -10.093 1.00 0.00 N ATOM 478 CA LYS A 30 0.474 18.854 -9.748 1.00 0.00 C ATOM 479 C LYS A 30 0.370 19.562 -8.394 1.00 0.00 C ATOM 480 O LYS A 30 1.402 19.860 -7.792 1.00 0.00 O ATOM 481 CB LYS A 30 0.812 19.872 -10.852 1.00 0.00 C ATOM 482 CG LYS A 30 1.212 19.196 -12.176 1.00 0.00 C ATOM 483 CD LYS A 30 1.414 20.193 -13.330 1.00 0.00 C ATOM 484 CE LYS A 30 2.495 21.261 -13.088 1.00 0.00 C ATOM 485 NZ LYS A 30 3.868 20.698 -13.005 1.00 0.00 N ATOM 0 H LYS A 30 -1.199 18.454 -10.946 1.00 0.00 H new ATOM 0 HA LYS A 30 1.276 18.120 -9.667 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.050 20.517 -11.023 1.00 0.00 H new ATOM 0 HB3 LYS A 30 1.627 20.512 -10.514 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.133 18.634 -12.025 1.00 0.00 H new ATOM 0 HG3 LYS A 30 0.442 18.477 -12.456 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.671 19.635 -14.230 1.00 0.00 H new ATOM 0 HD3 LYS A 30 0.467 20.695 -13.526 1.00 0.00 H new ATOM 0 HE2 LYS A 30 2.458 21.994 -13.894 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.271 21.792 -12.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 4.549 21.467 -12.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.918 20.018 -12.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 4.099 20.214 -13.896 1.00 0.00 H new ATOM 499 N GLU A 31 -0.842 19.839 -7.908 1.00 0.00 N ATOM 500 CA GLU A 31 -1.054 20.572 -6.667 1.00 0.00 C ATOM 501 C GLU A 31 -0.949 19.652 -5.444 1.00 0.00 C ATOM 502 O GLU A 31 -0.718 20.157 -4.343 1.00 0.00 O ATOM 503 CB GLU A 31 -2.432 21.261 -6.682 1.00 0.00 C ATOM 504 CG GLU A 31 -2.676 22.180 -7.890 1.00 0.00 C ATOM 505 CD GLU A 31 -1.643 23.319 -7.986 1.00 0.00 C ATOM 506 OE1 GLU A 31 -1.728 24.292 -7.202 1.00 0.00 O ATOM 507 OE2 GLU A 31 -0.747 23.265 -8.858 1.00 0.00 O ATOM 0 H GLU A 31 -1.706 19.557 -8.370 1.00 0.00 H new ATOM 0 HA GLU A 31 -0.271 21.327 -6.593 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.207 20.495 -6.663 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.541 21.847 -5.769 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -2.644 21.588 -8.805 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -3.677 22.607 -7.821 1.00 0.00 H new ATOM 514 N ARG A 32 -1.122 18.326 -5.597 1.00 0.00 N ATOM 515 CA ARG A 32 -1.272 17.422 -4.447 1.00 0.00 C ATOM 516 C ARG A 32 -0.480 16.129 -4.542 1.00 0.00 C ATOM 517 O ARG A 32 -0.138 15.599 -3.485 1.00 0.00 O ATOM 518 CB ARG A 32 -2.759 17.082 -4.228 1.00 0.00 C ATOM 519 CG ARG A 32 -3.555 18.271 -3.675 1.00 0.00 C ATOM 520 CD ARG A 32 -5.041 17.923 -3.522 1.00 0.00 C ATOM 521 NE ARG A 32 -5.841 19.105 -3.148 1.00 0.00 N ATOM 522 CZ ARG A 32 -6.288 20.052 -3.987 1.00 0.00 C ATOM 523 NH1 ARG A 32 -5.955 20.025 -5.273 1.00 0.00 N ATOM 524 NH2 ARG A 32 -7.068 21.029 -3.538 1.00 0.00 N ATOM 0 H ARG A 32 -1.161 17.860 -6.504 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.861 17.972 -3.601 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -3.199 16.762 -5.173 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -2.839 16.242 -3.538 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -3.147 18.567 -2.708 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -3.446 19.126 -4.342 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -5.417 17.510 -4.458 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -5.158 17.149 -2.763 1.00 0.00 H new ATOM 0 HE ARG A 32 -6.076 19.212 -2.161 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -5.355 19.281 -5.629 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -6.299 20.749 -5.904 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -7.329 21.061 -2.552 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -7.406 21.747 -4.179 1.00 0.00 H new ATOM 538 N ILE A 33 -0.178 15.587 -5.727 1.00 0.00 N ATOM 539 CA ILE A 33 0.386 14.235 -5.793 1.00 0.00 C ATOM 540 C ILE A 33 1.726 14.152 -5.052 1.00 0.00 C ATOM 541 O ILE A 33 1.955 13.182 -4.333 1.00 0.00 O ATOM 542 CB ILE A 33 0.433 13.698 -7.243 1.00 0.00 C ATOM 543 CG1 ILE A 33 0.706 12.176 -7.276 1.00 0.00 C ATOM 544 CG2 ILE A 33 1.462 14.423 -8.130 1.00 0.00 C ATOM 545 CD1 ILE A 33 -0.392 11.320 -6.636 1.00 0.00 C ATOM 0 H ILE A 33 -0.309 16.047 -6.628 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.287 13.561 -5.263 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.556 13.900 -7.656 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.834 11.865 -8.313 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.648 11.977 -6.765 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.442 13.997 -9.133 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.215 15.483 -8.182 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.458 14.303 -7.704 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.118 10.267 -6.704 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.506 11.599 -5.588 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.333 11.484 -7.160 1.00 0.00 H new ATOM 557 N ALA A 34 2.542 15.213 -5.112 1.00 0.00 N ATOM 558 CA ALA A 34 3.834 15.305 -4.434 1.00 0.00 C ATOM 559 C ALA A 34 3.745 15.255 -2.897 1.00 0.00 C ATOM 560 O ALA A 34 4.786 15.198 -2.241 1.00 0.00 O ATOM 561 CB ALA A 34 4.543 16.589 -4.885 1.00 0.00 C ATOM 0 H ALA A 34 2.312 16.050 -5.648 1.00 0.00 H new ATOM 0 HA ALA A 34 4.405 14.422 -4.720 1.00 0.00 H new ATOM 0 HB1 ALA A 34 5.508 16.667 -4.384 1.00 0.00 H new ATOM 0 HB2 ALA A 34 4.695 16.561 -5.964 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.930 17.453 -4.627 1.00 0.00 H new ATOM 567 N THR A 35 2.541 15.266 -2.320 1.00 0.00 N ATOM 568 CA THR A 35 2.305 15.259 -0.879 1.00 0.00 C ATOM 569 C THR A 35 1.361 14.103 -0.509 1.00 0.00 C ATOM 570 O THR A 35 1.533 13.488 0.545 1.00 0.00 O ATOM 571 CB THR A 35 1.748 16.637 -0.458 1.00 0.00 C ATOM 572 OG1 THR A 35 2.499 17.686 -1.052 1.00 0.00 O ATOM 573 CG2 THR A 35 1.776 16.833 1.062 1.00 0.00 C ATOM 0 H THR A 35 1.677 15.280 -2.863 1.00 0.00 H new ATOM 0 HA THR A 35 3.236 15.093 -0.337 1.00 0.00 H new ATOM 0 HB THR A 35 0.714 16.666 -0.801 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.130 18.550 -0.775 1.00 0.00 H new ATOM 0 HG21 THR A 35 1.375 17.816 1.310 1.00 0.00 H new ATOM 0 HG22 THR A 35 1.170 16.063 1.539 1.00 0.00 H new ATOM 0 HG23 THR A 35 2.803 16.760 1.419 1.00 0.00 H new ATOM 581 N ALA A 36 0.408 13.754 -1.383 1.00 0.00 N ATOM 582 CA ALA A 36 -0.451 12.588 -1.220 1.00 0.00 C ATOM 583 C ALA A 36 0.346 11.286 -1.390 1.00 0.00 C ATOM 584 O ALA A 36 0.107 10.323 -0.660 1.00 0.00 O ATOM 585 CB ALA A 36 -1.593 12.659 -2.241 1.00 0.00 C ATOM 0 H ALA A 36 0.214 14.285 -2.232 1.00 0.00 H new ATOM 0 HA ALA A 36 -0.864 12.589 -0.211 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.240 11.789 -2.125 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.173 13.567 -2.076 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.179 12.671 -3.249 1.00 0.00 H new ATOM 591 N VAL A 37 1.299 11.263 -2.327 1.00 0.00 N ATOM 592 CA VAL A 37 2.166 10.130 -2.638 1.00 0.00 C ATOM 593 C VAL A 37 3.569 10.714 -2.888 1.00 0.00 C ATOM 594 O VAL A 37 3.981 10.875 -4.039 1.00 0.00 O ATOM 595 CB VAL A 37 1.609 9.308 -3.829 1.00 0.00 C ATOM 596 CG1 VAL A 37 2.440 8.033 -4.043 1.00 0.00 C ATOM 597 CG2 VAL A 37 0.146 8.875 -3.628 1.00 0.00 C ATOM 0 H VAL A 37 1.493 12.074 -2.915 1.00 0.00 H new ATOM 0 HA VAL A 37 2.214 9.415 -1.817 1.00 0.00 H new ATOM 0 HB VAL A 37 1.667 9.969 -4.694 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.033 7.470 -4.883 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.474 8.304 -4.255 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.403 7.419 -3.143 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.187 8.304 -4.495 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.069 8.256 -2.734 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.482 9.758 -3.513 1.00 0.00 H new ATOM 607 N PRO A 38 4.301 11.110 -1.830 1.00 0.00 N ATOM 608 CA PRO A 38 5.593 11.771 -1.981 1.00 0.00 C ATOM 609 C PRO A 38 6.673 10.819 -2.517 1.00 0.00 C ATOM 610 O PRO A 38 7.663 11.277 -3.090 1.00 0.00 O ATOM 611 CB PRO A 38 5.942 12.297 -0.585 1.00 0.00 C ATOM 612 CG PRO A 38 5.222 11.333 0.356 1.00 0.00 C ATOM 613 CD PRO A 38 3.960 10.963 -0.422 1.00 0.00 C ATOM 0 HA PRO A 38 5.543 12.575 -2.715 1.00 0.00 H new ATOM 0 HB2 PRO A 38 7.018 12.294 -0.414 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.600 13.322 -0.446 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.831 10.456 0.577 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.984 11.804 1.310 1.00 0.00 H new ATOM 0 HD2 PRO A 38 3.650 9.942 -0.200 1.00 0.00 H new ATOM 0 HD3 PRO A 38 3.129 11.615 -0.151 1.00 0.00 H new ATOM 621 N ASP A 39 6.506 9.504 -2.328 1.00 0.00 N ATOM 622 CA ASP A 39 7.430 8.490 -2.824 1.00 0.00 C ATOM 623 C ASP A 39 7.321 8.389 -4.346 1.00 0.00 C ATOM 624 O ASP A 39 6.364 7.819 -4.877 1.00 0.00 O ATOM 625 CB ASP A 39 7.153 7.132 -2.162 1.00 0.00 C ATOM 626 CG ASP A 39 8.083 6.021 -2.687 1.00 0.00 C ATOM 627 OD1 ASP A 39 9.084 6.323 -3.376 1.00 0.00 O ATOM 628 OD2 ASP A 39 7.832 4.838 -2.367 1.00 0.00 O ATOM 0 H ASP A 39 5.713 9.115 -1.819 1.00 0.00 H new ATOM 0 HA ASP A 39 8.448 8.783 -2.566 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.276 7.225 -1.083 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.116 6.849 -2.341 1.00 0.00 H new ATOM 633 N LYS A 40 8.313 8.930 -5.061 1.00 0.00 N ATOM 634 CA LYS A 40 8.367 8.885 -6.522 1.00 0.00 C ATOM 635 C LYS A 40 8.483 7.461 -7.075 1.00 0.00 C ATOM 636 O LYS A 40 8.288 7.278 -8.275 1.00 0.00 O ATOM 637 CB LYS A 40 9.519 9.765 -7.044 1.00 0.00 C ATOM 638 CG LYS A 40 9.439 11.252 -6.652 1.00 0.00 C ATOM 639 CD LYS A 40 8.138 11.935 -7.107 1.00 0.00 C ATOM 640 CE LYS A 40 8.084 13.425 -6.738 1.00 0.00 C ATOM 641 NZ LYS A 40 9.079 14.244 -7.475 1.00 0.00 N ATOM 0 H LYS A 40 9.105 9.414 -4.638 1.00 0.00 H new ATOM 0 HA LYS A 40 7.418 9.280 -6.883 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.461 9.359 -6.675 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.545 9.694 -8.131 1.00 0.00 H new ATOM 0 HG2 LYS A 40 9.527 11.340 -5.569 1.00 0.00 H new ATOM 0 HG3 LYS A 40 10.288 11.780 -7.085 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.037 11.830 -8.187 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.288 11.423 -6.656 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.084 13.808 -6.943 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.254 13.534 -5.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.983 15.241 -7.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.038 13.912 -7.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.914 14.153 -8.498 1.00 0.00 H new ATOM 655 N ASN A 41 8.786 6.461 -6.242 1.00 0.00 N ATOM 656 CA ASN A 41 8.901 5.063 -6.646 1.00 0.00 C ATOM 657 C ASN A 41 7.675 4.250 -6.204 1.00 0.00 C ATOM 658 O ASN A 41 7.698 3.019 -6.241 1.00 0.00 O ATOM 659 CB ASN A 41 10.231 4.491 -6.126 1.00 0.00 C ATOM 660 CG ASN A 41 10.549 3.099 -6.671 1.00 0.00 C ATOM 661 OD1 ASN A 41 10.785 2.162 -5.913 1.00 0.00 O ATOM 662 ND2 ASN A 41 10.616 2.935 -7.983 1.00 0.00 N ATOM 0 H ASN A 41 8.961 6.607 -5.248 1.00 0.00 H new ATOM 0 HA ASN A 41 8.916 4.995 -7.734 1.00 0.00 H new ATOM 0 HB2 ASN A 41 11.040 5.171 -6.394 1.00 0.00 H new ATOM 0 HB3 ASN A 41 10.198 4.448 -5.037 1.00 0.00 H new ATOM 0 HD21 ASN A 41 10.865 2.025 -8.371 1.00 0.00 H new ATOM 0 HD22 ASN A 41 10.418 3.718 -8.606 1.00 0.00 H new ATOM 669 N ASP A 42 6.597 4.908 -5.759 1.00 0.00 N ATOM 670 CA ASP A 42 5.313 4.240 -5.556 1.00 0.00 C ATOM 671 C ASP A 42 4.742 3.820 -6.913 1.00 0.00 C ATOM 672 O ASP A 42 4.927 4.522 -7.914 1.00 0.00 O ATOM 673 CB ASP A 42 4.314 5.169 -4.868 1.00 0.00 C ATOM 674 CG ASP A 42 2.997 4.428 -4.610 1.00 0.00 C ATOM 675 OD1 ASP A 42 2.961 3.620 -3.658 1.00 0.00 O ATOM 676 OD2 ASP A 42 2.021 4.641 -5.360 1.00 0.00 O ATOM 0 H ASP A 42 6.592 5.903 -5.534 1.00 0.00 H new ATOM 0 HA ASP A 42 5.476 3.368 -4.922 1.00 0.00 H new ATOM 0 HB2 ASP A 42 4.729 5.528 -3.926 1.00 0.00 H new ATOM 0 HB3 ASP A 42 4.132 6.045 -5.491 1.00 0.00 H new ATOM 681 N THR A 43 4.023 2.701 -6.954 1.00 0.00 N ATOM 682 CA THR A 43 3.339 2.241 -8.155 1.00 0.00 C ATOM 683 C THR A 43 2.026 3.026 -8.289 1.00 0.00 C ATOM 684 O THR A 43 0.958 2.525 -7.930 1.00 0.00 O ATOM 685 CB THR A 43 3.126 0.713 -8.125 1.00 0.00 C ATOM 686 OG1 THR A 43 4.251 0.032 -7.599 1.00 0.00 O ATOM 687 CG2 THR A 43 2.842 0.181 -9.533 1.00 0.00 C ATOM 0 H THR A 43 3.899 2.086 -6.150 1.00 0.00 H new ATOM 0 HA THR A 43 3.950 2.431 -9.038 1.00 0.00 H new ATOM 0 HB THR A 43 2.271 0.527 -7.475 1.00 0.00 H new ATOM 0 HG1 THR A 43 4.077 -0.932 -7.595 1.00 0.00 H new ATOM 0 HG21 THR A 43 2.695 -0.898 -9.491 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.943 0.655 -9.927 1.00 0.00 H new ATOM 0 HG23 THR A 43 3.686 0.407 -10.184 1.00 0.00 H new ATOM 695 N VAL A 44 2.100 4.275 -8.755 1.00 0.00 N ATOM 696 CA VAL A 44 0.929 5.131 -8.900 1.00 0.00 C ATOM 697 C VAL A 44 -0.002 4.490 -9.938 1.00 0.00 C ATOM 698 O VAL A 44 0.340 4.412 -11.123 1.00 0.00 O ATOM 699 CB VAL A 44 1.338 6.574 -9.277 1.00 0.00 C ATOM 700 CG1 VAL A 44 0.142 7.528 -9.134 1.00 0.00 C ATOM 701 CG2 VAL A 44 2.477 7.125 -8.402 1.00 0.00 C ATOM 0 H VAL A 44 2.974 4.717 -9.041 1.00 0.00 H new ATOM 0 HA VAL A 44 0.397 5.214 -7.952 1.00 0.00 H new ATOM 0 HB VAL A 44 1.683 6.522 -10.310 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.449 8.539 -9.403 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.662 7.205 -9.795 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.210 7.518 -8.102 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.718 8.141 -8.716 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.163 7.133 -7.358 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.358 6.493 -8.511 1.00 0.00 H new ATOM 711 N LYS A 45 -1.168 4.007 -9.505 1.00 0.00 N ATOM 712 CA LYS A 45 -2.215 3.535 -10.400 1.00 0.00 C ATOM 713 C LYS A 45 -3.132 4.721 -10.663 1.00 0.00 C ATOM 714 O LYS A 45 -3.498 5.432 -9.722 1.00 0.00 O ATOM 715 CB LYS A 45 -3.005 2.373 -9.767 1.00 0.00 C ATOM 716 CG LYS A 45 -2.158 1.188 -9.276 1.00 0.00 C ATOM 717 CD LYS A 45 -1.307 0.542 -10.375 1.00 0.00 C ATOM 718 CE LYS A 45 -0.563 -0.709 -9.879 1.00 0.00 C ATOM 719 NZ LYS A 45 -1.469 -1.812 -9.473 1.00 0.00 N ATOM 0 H LYS A 45 -1.410 3.934 -8.517 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.785 3.155 -11.327 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.577 2.762 -8.925 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.724 2.005 -10.498 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -1.503 1.529 -8.474 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.818 0.433 -8.849 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -1.947 0.272 -11.215 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -0.584 1.269 -10.746 1.00 0.00 H new ATOM 0 HE2 LYS A 45 0.100 -1.065 -10.668 1.00 0.00 H new ATOM 0 HE3 LYS A 45 0.067 -0.436 -9.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.000 -2.725 -9.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.699 -1.718 -8.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.344 -1.767 -10.033 1.00 0.00 H new ATOM 733 N VAL A 46 -3.541 4.917 -11.913 1.00 0.00 N ATOM 734 CA VAL A 46 -4.431 6.008 -12.292 1.00 0.00 C ATOM 735 C VAL A 46 -5.581 5.451 -13.120 1.00 0.00 C ATOM 736 O VAL A 46 -5.391 4.536 -13.926 1.00 0.00 O ATOM 737 CB VAL A 46 -3.661 7.144 -13.007 1.00 0.00 C ATOM 738 CG1 VAL A 46 -2.742 7.892 -12.032 1.00 0.00 C ATOM 739 CG2 VAL A 46 -2.811 6.667 -14.196 1.00 0.00 C ATOM 0 H VAL A 46 -3.263 4.322 -12.693 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.854 6.464 -11.397 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.438 7.805 -13.392 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.215 8.684 -12.564 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.339 8.328 -11.231 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.018 7.196 -11.607 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.302 7.520 -14.645 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.072 5.945 -13.848 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.456 6.197 -14.939 1.00 0.00 H new ATOM 749 N TYR A 47 -6.773 6.010 -12.944 1.00 0.00 N ATOM 750 CA TYR A 47 -7.939 5.721 -13.765 1.00 0.00 C ATOM 751 C TYR A 47 -8.811 6.970 -13.810 1.00 0.00 C ATOM 752 O TYR A 47 -8.578 7.926 -13.067 1.00 0.00 O ATOM 753 CB TYR A 47 -8.711 4.508 -13.231 1.00 0.00 C ATOM 754 CG TYR A 47 -9.481 4.739 -11.945 1.00 0.00 C ATOM 755 CD1 TYR A 47 -8.831 4.630 -10.701 1.00 0.00 C ATOM 756 CD2 TYR A 47 -10.853 5.059 -11.999 1.00 0.00 C ATOM 757 CE1 TYR A 47 -9.550 4.825 -9.510 1.00 0.00 C ATOM 758 CE2 TYR A 47 -11.574 5.264 -10.813 1.00 0.00 C ATOM 759 CZ TYR A 47 -10.928 5.135 -9.565 1.00 0.00 C ATOM 760 OH TYR A 47 -11.649 5.292 -8.421 1.00 0.00 O ATOM 0 H TYR A 47 -6.958 6.692 -12.209 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.625 5.461 -14.776 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -9.411 4.178 -13.999 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -8.006 3.692 -13.070 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -7.777 4.396 -10.662 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -11.349 5.146 -12.954 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -9.052 4.738 -8.556 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -12.622 5.520 -10.855 1.00 0.00 H new ATOM 0 HH TYR A 47 -11.065 5.630 -7.710 1.00 0.00 H new ATOM 770 N CYS A 48 -9.794 6.981 -14.700 1.00 0.00 N ATOM 771 CA CYS A 48 -10.797 8.026 -14.800 1.00 0.00 C ATOM 772 C CYS A 48 -12.020 7.411 -15.481 1.00 0.00 C ATOM 773 O CYS A 48 -12.169 6.188 -15.485 1.00 0.00 O ATOM 774 CB CYS A 48 -10.208 9.244 -15.538 1.00 0.00 C ATOM 775 SG CYS A 48 -9.615 8.819 -17.191 1.00 0.00 S ATOM 0 H CYS A 48 -9.917 6.241 -15.391 1.00 0.00 H new ATOM 0 HA CYS A 48 -11.108 8.404 -13.826 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -10.967 10.022 -15.615 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -9.386 9.658 -14.954 1.00 0.00 H new ATOM 0 HG CYS A 48 -10.261 9.518 -18.077 1.00 0.00 H new ATOM 781 N ASN A 49 -12.903 8.226 -16.064 1.00 0.00 N ATOM 782 CA ASN A 49 -14.089 7.714 -16.745 1.00 0.00 C ATOM 783 C ASN A 49 -13.697 6.856 -17.958 1.00 0.00 C ATOM 784 O ASN A 49 -14.223 5.756 -18.115 1.00 0.00 O ATOM 785 CB ASN A 49 -14.996 8.885 -17.176 1.00 0.00 C ATOM 786 CG ASN A 49 -16.416 8.450 -17.555 1.00 0.00 C ATOM 787 OD1 ASN A 49 -17.380 9.142 -17.246 1.00 0.00 O ATOM 788 ND2 ASN A 49 -16.599 7.314 -18.209 1.00 0.00 N ATOM 0 H ASN A 49 -12.817 9.242 -16.077 1.00 0.00 H new ATOM 0 HA ASN A 49 -14.641 7.079 -16.052 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -15.051 9.610 -16.364 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -14.541 9.393 -18.026 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -17.542 7.014 -18.456 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -15.797 6.739 -18.466 1.00 0.00 H new ATOM 795 N ALA A 50 -12.815 7.369 -18.823 1.00 0.00 N ATOM 796 CA ALA A 50 -12.513 6.802 -20.143 1.00 0.00 C ATOM 797 C ALA A 50 -11.021 6.922 -20.509 1.00 0.00 C ATOM 798 O ALA A 50 -10.670 7.179 -21.663 1.00 0.00 O ATOM 799 CB ALA A 50 -13.418 7.480 -21.185 1.00 0.00 C ATOM 0 H ALA A 50 -12.277 8.212 -18.620 1.00 0.00 H new ATOM 0 HA ALA A 50 -12.719 5.732 -20.124 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -13.206 7.070 -22.173 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -14.463 7.298 -20.933 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -13.227 8.553 -21.189 1.00 0.00 H new ATOM 805 N GLY A 51 -10.128 6.802 -19.527 1.00 0.00 N ATOM 806 CA GLY A 51 -8.679 6.696 -19.718 1.00 0.00 C ATOM 807 C GLY A 51 -7.955 7.993 -20.106 1.00 0.00 C ATOM 808 O GLY A 51 -6.746 8.081 -19.895 1.00 0.00 O ATOM 0 H GLY A 51 -10.400 6.775 -18.544 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.238 6.319 -18.796 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.488 5.951 -20.491 1.00 0.00 H new ATOM 812 N ARG A 52 -8.636 9.013 -20.648 1.00 0.00 N ATOM 813 CA ARG A 52 -7.969 10.225 -21.150 1.00 0.00 C ATOM 814 C ARG A 52 -7.280 10.988 -20.041 1.00 0.00 C ATOM 815 O ARG A 52 -6.077 11.216 -20.150 1.00 0.00 O ATOM 816 CB ARG A 52 -8.925 11.136 -21.941 1.00 0.00 C ATOM 817 CG ARG A 52 -9.739 10.450 -23.056 1.00 0.00 C ATOM 818 CD ARG A 52 -8.892 9.557 -23.975 1.00 0.00 C ATOM 819 NE ARG A 52 -9.596 9.229 -25.228 1.00 0.00 N ATOM 820 CZ ARG A 52 -10.453 8.221 -25.444 1.00 0.00 C ATOM 821 NH1 ARG A 52 -10.823 7.397 -24.466 1.00 0.00 N ATOM 822 NH2 ARG A 52 -10.945 8.040 -26.665 1.00 0.00 N ATOM 0 H ARG A 52 -9.651 9.023 -20.750 1.00 0.00 H new ATOM 0 HA ARG A 52 -7.201 9.886 -21.846 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -9.621 11.596 -21.240 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -8.342 11.942 -22.387 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -10.525 9.847 -22.602 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -10.231 11.214 -23.658 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -7.954 10.062 -24.207 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.637 8.636 -23.451 1.00 0.00 H new ATOM 0 HE ARG A 52 -9.409 9.840 -26.023 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -10.453 7.525 -23.524 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -11.477 6.638 -24.659 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -10.670 8.664 -27.423 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -11.598 7.277 -26.844 1.00 0.00 H new ATOM 836 N GLN A 53 -7.990 11.300 -18.956 1.00 0.00 N ATOM 837 CA GLN A 53 -7.378 11.989 -17.823 1.00 0.00 C ATOM 838 C GLN A 53 -6.214 11.150 -17.266 1.00 0.00 C ATOM 839 O GLN A 53 -5.244 11.731 -16.797 1.00 0.00 O ATOM 840 CB GLN A 53 -8.406 12.359 -16.730 1.00 0.00 C ATOM 841 CG GLN A 53 -9.324 13.569 -17.020 1.00 0.00 C ATOM 842 CD GLN A 53 -10.142 13.438 -18.308 1.00 0.00 C ATOM 843 OE1 GLN A 53 -10.003 14.232 -19.233 1.00 0.00 O ATOM 844 NE2 GLN A 53 -11.002 12.433 -18.409 1.00 0.00 N ATOM 0 H GLN A 53 -8.981 11.088 -18.839 1.00 0.00 H new ATOM 0 HA GLN A 53 -6.978 12.938 -18.181 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -9.037 11.489 -16.548 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.863 12.558 -15.806 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -10.007 13.703 -16.181 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.712 14.469 -17.081 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -11.112 11.777 -17.636 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -11.553 12.317 -19.260 1.00 0.00 H new ATOM 853 N SER A 54 -6.258 9.815 -17.351 1.00 0.00 N ATOM 854 CA SER A 54 -5.192 8.931 -16.880 1.00 0.00 C ATOM 855 C SER A 54 -3.941 8.994 -17.756 1.00 0.00 C ATOM 856 O SER A 54 -2.843 9.150 -17.224 1.00 0.00 O ATOM 857 CB SER A 54 -5.721 7.500 -16.800 1.00 0.00 C ATOM 858 OG SER A 54 -6.975 7.502 -16.146 1.00 0.00 O ATOM 0 H SER A 54 -7.049 9.314 -17.756 1.00 0.00 H new ATOM 0 HA SER A 54 -4.891 9.273 -15.890 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.820 7.080 -17.801 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.016 6.869 -16.258 1.00 0.00 H new ATOM 0 HG SER A 54 -7.659 7.857 -16.751 1.00 0.00 H new ATOM 864 N GLY A 55 -4.079 8.922 -19.082 1.00 0.00 N ATOM 865 CA GLY A 55 -2.943 9.052 -19.990 1.00 0.00 C ATOM 866 C GLY A 55 -2.341 10.451 -19.879 1.00 0.00 C ATOM 867 O GLY A 55 -1.124 10.613 -19.771 1.00 0.00 O ATOM 0 H GLY A 55 -4.973 8.773 -19.550 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -2.188 8.303 -19.751 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.263 8.866 -21.015 1.00 0.00 H new ATOM 871 N GLN A 56 -3.211 11.459 -19.815 1.00 0.00 N ATOM 872 CA GLN A 56 -2.844 12.848 -19.597 1.00 0.00 C ATOM 873 C GLN A 56 -2.147 13.043 -18.237 1.00 0.00 C ATOM 874 O GLN A 56 -1.229 13.857 -18.134 1.00 0.00 O ATOM 875 CB GLN A 56 -4.112 13.702 -19.733 1.00 0.00 C ATOM 876 CG GLN A 56 -4.506 13.927 -21.200 1.00 0.00 C ATOM 877 CD GLN A 56 -5.794 14.747 -21.305 1.00 0.00 C ATOM 878 OE1 GLN A 56 -6.899 14.220 -21.209 1.00 0.00 O ATOM 879 NE2 GLN A 56 -5.688 16.053 -21.497 1.00 0.00 N ATOM 0 H GLN A 56 -4.217 11.322 -19.917 1.00 0.00 H new ATOM 0 HA GLN A 56 -2.117 13.165 -20.345 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -4.934 13.215 -19.209 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -3.952 14.666 -19.250 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -3.699 14.443 -21.721 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -4.642 12.965 -21.695 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -4.767 16.484 -21.576 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -6.528 16.628 -21.566 1.00 0.00 H new ATOM 888 N ALA A 57 -2.532 12.297 -17.195 1.00 0.00 N ATOM 889 CA ALA A 57 -1.875 12.355 -15.895 1.00 0.00 C ATOM 890 C ALA A 57 -0.514 11.655 -15.941 1.00 0.00 C ATOM 891 O ALA A 57 0.438 12.134 -15.330 1.00 0.00 O ATOM 892 CB ALA A 57 -2.765 11.747 -14.804 1.00 0.00 C ATOM 0 H ALA A 57 -3.309 11.637 -17.235 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.708 13.403 -15.648 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.252 11.802 -13.844 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.702 12.301 -14.748 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -2.974 10.705 -15.044 1.00 0.00 H new ATOM 898 N LYS A 58 -0.383 10.540 -16.666 1.00 0.00 N ATOM 899 CA LYS A 58 0.880 9.809 -16.736 1.00 0.00 C ATOM 900 C LYS A 58 2.001 10.692 -17.279 1.00 0.00 C ATOM 901 O LYS A 58 3.113 10.619 -16.753 1.00 0.00 O ATOM 902 CB LYS A 58 0.702 8.501 -17.527 1.00 0.00 C ATOM 903 CG LYS A 58 2.031 7.738 -17.674 1.00 0.00 C ATOM 904 CD LYS A 58 1.821 6.246 -17.962 1.00 0.00 C ATOM 905 CE LYS A 58 3.185 5.559 -18.127 1.00 0.00 C ATOM 906 NZ LYS A 58 3.077 4.079 -18.160 1.00 0.00 N ATOM 0 H LYS A 58 -1.138 10.126 -17.212 1.00 0.00 H new ATOM 0 HA LYS A 58 1.182 9.528 -15.727 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.027 7.867 -17.023 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.300 8.725 -18.515 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.614 8.182 -18.481 1.00 0.00 H new ATOM 0 HG3 LYS A 58 2.614 7.850 -16.760 1.00 0.00 H new ATOM 0 HD2 LYS A 58 1.265 5.782 -17.147 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.226 6.120 -18.867 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.654 5.906 -19.048 1.00 0.00 H new ATOM 0 HE3 LYS A 58 3.838 5.854 -17.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 3.976 3.673 -18.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 2.866 3.725 -17.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 2.313 3.801 -18.809 1.00 0.00 H new ATOM 920 N GLU A 59 1.747 11.540 -18.279 1.00 0.00 N ATOM 921 CA GLU A 59 2.809 12.384 -18.820 1.00 0.00 C ATOM 922 C GLU A 59 3.282 13.427 -17.796 1.00 0.00 C ATOM 923 O GLU A 59 4.493 13.569 -17.614 1.00 0.00 O ATOM 924 CB GLU A 59 2.444 12.986 -20.188 1.00 0.00 C ATOM 925 CG GLU A 59 1.140 13.790 -20.235 1.00 0.00 C ATOM 926 CD GLU A 59 0.929 14.443 -21.612 1.00 0.00 C ATOM 927 OE1 GLU A 59 0.345 13.803 -22.516 1.00 0.00 O ATOM 928 OE2 GLU A 59 1.336 15.611 -21.806 1.00 0.00 O ATOM 0 H GLU A 59 0.835 11.658 -18.721 1.00 0.00 H new ATOM 0 HA GLU A 59 3.667 11.740 -19.013 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.260 13.634 -20.508 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.376 12.176 -20.914 1.00 0.00 H new ATOM 0 HG2 GLU A 59 0.299 13.134 -20.009 1.00 0.00 H new ATOM 0 HG3 GLU A 59 1.159 14.561 -19.465 1.00 0.00 H new ATOM 935 N ILE A 60 2.389 14.111 -17.064 1.00 0.00 N ATOM 936 CA ILE A 60 2.822 15.076 -16.058 1.00 0.00 C ATOM 937 C ILE A 60 3.471 14.370 -14.863 1.00 0.00 C ATOM 938 O ILE A 60 4.418 14.902 -14.294 1.00 0.00 O ATOM 939 CB ILE A 60 1.665 16.009 -15.642 1.00 0.00 C ATOM 940 CG1 ILE A 60 0.492 15.237 -15.006 1.00 0.00 C ATOM 941 CG2 ILE A 60 1.214 16.843 -16.857 1.00 0.00 C ATOM 942 CD1 ILE A 60 -0.687 16.096 -14.565 1.00 0.00 C ATOM 0 H ILE A 60 1.378 14.012 -17.152 1.00 0.00 H new ATOM 0 HA ILE A 60 3.588 15.712 -16.501 1.00 0.00 H new ATOM 0 HB ILE A 60 2.029 16.685 -14.869 1.00 0.00 H new ATOM 0 HG12 ILE A 60 0.134 14.497 -15.722 1.00 0.00 H new ATOM 0 HG13 ILE A 60 0.865 14.689 -14.141 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.397 17.502 -16.563 1.00 0.00 H new ATOM 0 HG22 ILE A 60 2.050 17.441 -17.218 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.875 16.177 -17.650 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.458 15.460 -14.131 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -0.352 16.819 -13.821 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.095 16.624 -15.427 1.00 0.00 H new ATOM 954 N LEU A 61 3.032 13.161 -14.502 1.00 0.00 N ATOM 955 CA LEU A 61 3.656 12.387 -13.433 1.00 0.00 C ATOM 956 C LEU A 61 5.067 11.962 -13.841 1.00 0.00 C ATOM 957 O LEU A 61 5.982 11.994 -13.018 1.00 0.00 O ATOM 958 CB LEU A 61 2.799 11.157 -13.104 1.00 0.00 C ATOM 959 CG LEU A 61 1.489 11.483 -12.364 1.00 0.00 C ATOM 960 CD1 LEU A 61 0.564 10.261 -12.352 1.00 0.00 C ATOM 961 CD2 LEU A 61 1.741 11.928 -10.925 1.00 0.00 C ATOM 0 H LEU A 61 2.238 12.696 -14.942 1.00 0.00 H new ATOM 0 HA LEU A 61 3.728 13.011 -12.542 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.560 10.636 -14.031 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.387 10.471 -12.495 1.00 0.00 H new ATOM 0 HG LEU A 61 1.017 12.305 -12.902 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.358 10.508 -11.825 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.330 9.972 -13.377 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.061 9.433 -11.846 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.790 12.148 -10.440 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.250 11.132 -10.382 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.364 12.823 -10.925 1.00 0.00 H new ATOM 973 N SER A 62 5.265 11.609 -15.112 1.00 0.00 N ATOM 974 CA SER A 62 6.585 11.302 -15.641 1.00 0.00 C ATOM 975 C SER A 62 7.475 12.551 -15.590 1.00 0.00 C ATOM 976 O SER A 62 8.638 12.455 -15.199 1.00 0.00 O ATOM 977 CB SER A 62 6.463 10.749 -17.067 1.00 0.00 C ATOM 978 OG SER A 62 5.600 9.623 -17.106 1.00 0.00 O ATOM 0 H SER A 62 4.514 11.529 -15.798 1.00 0.00 H new ATOM 0 HA SER A 62 7.055 10.535 -15.026 1.00 0.00 H new ATOM 0 HB2 SER A 62 6.083 11.526 -17.730 1.00 0.00 H new ATOM 0 HB3 SER A 62 7.449 10.468 -17.437 1.00 0.00 H new ATOM 0 HG SER A 62 4.693 9.897 -16.855 1.00 0.00 H new ATOM 984 N GLU A 63 6.933 13.734 -15.907 1.00 0.00 N ATOM 985 CA GLU A 63 7.661 14.999 -15.812 1.00 0.00 C ATOM 986 C GLU A 63 8.017 15.314 -14.347 1.00 0.00 C ATOM 987 O GLU A 63 9.127 15.765 -14.062 1.00 0.00 O ATOM 988 CB GLU A 63 6.817 16.115 -16.456 1.00 0.00 C ATOM 989 CG GLU A 63 7.573 17.437 -16.652 1.00 0.00 C ATOM 990 CD GLU A 63 8.695 17.329 -17.703 1.00 0.00 C ATOM 991 OE1 GLU A 63 8.418 17.479 -18.915 1.00 0.00 O ATOM 992 OE2 GLU A 63 9.871 17.118 -17.329 1.00 0.00 O ATOM 0 H GLU A 63 5.974 13.837 -16.237 1.00 0.00 H new ATOM 0 HA GLU A 63 8.604 14.925 -16.354 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.454 15.769 -17.424 1.00 0.00 H new ATOM 0 HB3 GLU A 63 5.941 16.298 -15.834 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.869 18.212 -16.956 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.001 17.751 -15.700 1.00 0.00 H new ATOM 999 N MET A 64 7.112 15.016 -13.406 1.00 0.00 N ATOM 1000 CA MET A 64 7.343 15.121 -11.963 1.00 0.00 C ATOM 1001 C MET A 64 8.303 14.038 -11.441 1.00 0.00 C ATOM 1002 O MET A 64 8.654 14.057 -10.259 1.00 0.00 O ATOM 1003 CB MET A 64 6.005 15.084 -11.201 1.00 0.00 C ATOM 1004 CG MET A 64 5.175 16.354 -11.430 1.00 0.00 C ATOM 1005 SD MET A 64 3.570 16.383 -10.582 1.00 0.00 S ATOM 1006 CE MET A 64 4.112 16.720 -8.884 1.00 0.00 C ATOM 0 H MET A 64 6.174 14.687 -13.635 1.00 0.00 H new ATOM 0 HA MET A 64 7.826 16.081 -11.782 1.00 0.00 H new ATOM 0 HB2 MET A 64 5.431 14.214 -11.520 1.00 0.00 H new ATOM 0 HB3 MET A 64 6.199 14.965 -10.135 1.00 0.00 H new ATOM 0 HG2 MET A 64 5.758 17.215 -11.103 1.00 0.00 H new ATOM 0 HG3 MET A 64 5.006 16.472 -12.500 1.00 0.00 H new ATOM 0 HE1 MET A 64 3.243 16.770 -8.228 1.00 0.00 H new ATOM 0 HE2 MET A 64 4.775 15.922 -8.548 1.00 0.00 H new ATOM 0 HE3 MET A 64 4.645 17.671 -8.854 1.00 0.00 H new ATOM 1016 N GLY A 65 8.752 13.108 -12.286 1.00 0.00 N ATOM 1017 CA GLY A 65 9.823 12.178 -11.966 1.00 0.00 C ATOM 1018 C GLY A 65 9.350 10.910 -11.259 1.00 0.00 C ATOM 1019 O GLY A 65 10.191 10.206 -10.697 1.00 0.00 O ATOM 0 H GLY A 65 8.372 12.982 -13.224 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.336 11.899 -12.886 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.553 12.684 -11.334 1.00 0.00 H new ATOM 1023 N TYR A 66 8.046 10.600 -11.257 1.00 0.00 N ATOM 1024 CA TYR A 66 7.584 9.293 -10.790 1.00 0.00 C ATOM 1025 C TYR A 66 8.184 8.233 -11.718 1.00 0.00 C ATOM 1026 O TYR A 66 8.106 8.373 -12.942 1.00 0.00 O ATOM 1027 CB TYR A 66 6.052 9.220 -10.728 1.00 0.00 C ATOM 1028 CG TYR A 66 5.476 10.024 -9.574 1.00 0.00 C ATOM 1029 CD1 TYR A 66 5.252 11.408 -9.710 1.00 0.00 C ATOM 1030 CD2 TYR A 66 5.230 9.399 -8.335 1.00 0.00 C ATOM 1031 CE1 TYR A 66 4.815 12.170 -8.614 1.00 0.00 C ATOM 1032 CE2 TYR A 66 4.789 10.154 -7.233 1.00 0.00 C ATOM 1033 CZ TYR A 66 4.595 11.548 -7.366 1.00 0.00 C ATOM 1034 OH TYR A 66 4.243 12.311 -6.298 1.00 0.00 O ATOM 0 H TYR A 66 7.305 11.228 -11.569 1.00 0.00 H new ATOM 0 HA TYR A 66 7.919 9.116 -9.768 1.00 0.00 H new ATOM 0 HB2 TYR A 66 5.636 9.588 -11.666 1.00 0.00 H new ATOM 0 HB3 TYR A 66 5.745 8.179 -10.630 1.00 0.00 H new ATOM 0 HD1 TYR A 66 5.417 11.887 -10.664 1.00 0.00 H new ATOM 0 HD2 TYR A 66 5.381 8.335 -8.231 1.00 0.00 H new ATOM 0 HE1 TYR A 66 4.647 13.231 -8.726 1.00 0.00 H new ATOM 0 HE2 TYR A 66 4.599 9.669 -6.287 1.00 0.00 H new ATOM 0 HH TYR A 66 4.362 11.795 -5.474 1.00 0.00 H new ATOM 1044 N THR A 67 8.820 7.203 -11.153 1.00 0.00 N ATOM 1045 CA THR A 67 9.621 6.254 -11.925 1.00 0.00 C ATOM 1046 C THR A 67 8.751 5.418 -12.873 1.00 0.00 C ATOM 1047 O THR A 67 9.213 5.005 -13.940 1.00 0.00 O ATOM 1048 CB THR A 67 10.441 5.365 -10.971 1.00 0.00 C ATOM 1049 OG1 THR A 67 9.611 4.734 -10.015 1.00 0.00 O ATOM 1050 CG2 THR A 67 11.479 6.173 -10.185 1.00 0.00 C ATOM 0 H THR A 67 8.794 7.006 -10.153 1.00 0.00 H new ATOM 0 HA THR A 67 10.312 6.815 -12.553 1.00 0.00 H new ATOM 0 HB THR A 67 10.934 4.630 -11.607 1.00 0.00 H new ATOM 0 HG1 THR A 67 9.435 3.811 -10.293 1.00 0.00 H new ATOM 0 HG21 THR A 67 12.035 5.507 -9.525 1.00 0.00 H new ATOM 0 HG22 THR A 67 12.168 6.653 -10.880 1.00 0.00 H new ATOM 0 HG23 THR A 67 10.974 6.934 -9.591 1.00 0.00 H new ATOM 1058 N HIS A 68 7.491 5.186 -12.494 1.00 0.00 N ATOM 1059 CA HIS A 68 6.501 4.452 -13.262 1.00 0.00 C ATOM 1060 C HIS A 68 5.107 4.900 -12.822 1.00 0.00 C ATOM 1061 O HIS A 68 4.926 5.413 -11.716 1.00 0.00 O ATOM 1062 CB HIS A 68 6.692 2.931 -13.085 1.00 0.00 C ATOM 1063 CG HIS A 68 7.043 2.444 -11.694 1.00 0.00 C ATOM 1064 ND1 HIS A 68 8.014 1.510 -11.398 1.00 0.00 N ATOM 1065 CD2 HIS A 68 6.473 2.812 -10.501 1.00 0.00 C ATOM 1066 CE1 HIS A 68 8.022 1.318 -10.069 1.00 0.00 C ATOM 1067 NE2 HIS A 68 7.097 2.093 -9.476 1.00 0.00 N ATOM 0 H HIS A 68 7.125 5.522 -11.604 1.00 0.00 H new ATOM 0 HA HIS A 68 6.622 4.665 -14.324 1.00 0.00 H new ATOM 0 HB2 HIS A 68 5.773 2.435 -13.397 1.00 0.00 H new ATOM 0 HB3 HIS A 68 7.477 2.606 -13.767 1.00 0.00 H new ATOM 0 HD2 HIS A 68 5.679 3.533 -10.375 1.00 0.00 H new ATOM 0 HE1 HIS A 68 8.679 0.637 -9.549 1.00 0.00 H new ATOM 0 HE2 HIS A 68 6.891 2.146 -8.478 1.00 0.00 H new ATOM 1075 N VAL A 69 4.127 4.687 -13.697 1.00 0.00 N ATOM 1076 CA VAL A 69 2.708 4.943 -13.490 1.00 0.00 C ATOM 1077 C VAL A 69 2.005 3.883 -14.345 1.00 0.00 C ATOM 1078 O VAL A 69 2.513 3.532 -15.417 1.00 0.00 O ATOM 1079 CB VAL A 69 2.347 6.371 -13.967 1.00 0.00 C ATOM 1080 CG1 VAL A 69 0.861 6.702 -13.762 1.00 0.00 C ATOM 1081 CG2 VAL A 69 3.170 7.482 -13.299 1.00 0.00 C ATOM 0 H VAL A 69 4.316 4.308 -14.625 1.00 0.00 H new ATOM 0 HA VAL A 69 2.415 4.886 -12.442 1.00 0.00 H new ATOM 0 HB VAL A 69 2.587 6.351 -15.030 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.662 7.715 -14.113 1.00 0.00 H new ATOM 0 HG12 VAL A 69 0.250 5.996 -14.325 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.615 6.630 -12.703 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.856 8.451 -13.687 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.011 7.454 -12.221 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.228 7.330 -13.514 1.00 0.00 H new ATOM 1091 N GLU A 70 0.839 3.399 -13.925 1.00 0.00 N ATOM 1092 CA GLU A 70 0.070 2.413 -14.673 1.00 0.00 C ATOM 1093 C GLU A 70 -1.376 2.892 -14.742 1.00 0.00 C ATOM 1094 O GLU A 70 -1.993 3.170 -13.712 1.00 0.00 O ATOM 1095 CB GLU A 70 0.208 1.039 -13.997 1.00 0.00 C ATOM 1096 CG GLU A 70 -0.584 -0.058 -14.721 1.00 0.00 C ATOM 1097 CD GLU A 70 -0.333 -1.442 -14.097 1.00 0.00 C ATOM 1098 OE1 GLU A 70 -1.044 -1.821 -13.139 1.00 0.00 O ATOM 1099 OE2 GLU A 70 0.565 -2.174 -14.574 1.00 0.00 O ATOM 0 H GLU A 70 0.400 3.683 -13.049 1.00 0.00 H new ATOM 0 HA GLU A 70 0.441 2.304 -15.692 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.261 0.759 -13.963 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.137 1.110 -12.965 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.648 0.173 -14.679 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.303 -0.076 -15.774 1.00 0.00 H new ATOM 1106 N ASN A 71 -1.923 3.003 -15.955 1.00 0.00 N ATOM 1107 CA ASN A 71 -3.351 3.227 -16.113 1.00 0.00 C ATOM 1108 C ASN A 71 -4.062 1.898 -15.870 1.00 0.00 C ATOM 1109 O ASN A 71 -3.910 0.968 -16.664 1.00 0.00 O ATOM 1110 CB ASN A 71 -3.707 3.802 -17.491 1.00 0.00 C ATOM 1111 CG ASN A 71 -5.221 3.815 -17.714 1.00 0.00 C ATOM 1112 OD1 ASN A 71 -5.705 3.392 -18.758 1.00 0.00 O ATOM 1113 ND2 ASN A 71 -6.005 4.271 -16.747 1.00 0.00 N ATOM 0 H ASN A 71 -1.401 2.941 -16.829 1.00 0.00 H new ATOM 0 HA ASN A 71 -3.678 3.974 -15.389 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -3.316 4.816 -17.576 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -3.228 3.209 -18.270 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -7.018 4.271 -16.869 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -5.595 4.621 -15.881 1.00 0.00 H new ATOM 1120 N ALA A 72 -4.822 1.805 -14.777 1.00 0.00 N ATOM 1121 CA ALA A 72 -5.568 0.600 -14.435 1.00 0.00 C ATOM 1122 C ALA A 72 -6.670 0.302 -15.463 1.00 0.00 C ATOM 1123 O ALA A 72 -6.999 -0.863 -15.686 1.00 0.00 O ATOM 1124 CB ALA A 72 -6.173 0.756 -13.037 1.00 0.00 C ATOM 0 H ALA A 72 -4.935 2.565 -14.106 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.878 -0.244 -14.446 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.731 -0.144 -12.780 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -5.375 0.908 -12.310 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.844 1.615 -13.025 1.00 0.00 H new ATOM 1130 N GLY A 73 -7.239 1.342 -16.079 1.00 0.00 N ATOM 1131 CA GLY A 73 -8.329 1.248 -17.038 1.00 0.00 C ATOM 1132 C GLY A 73 -9.204 2.490 -16.922 1.00 0.00 C ATOM 1133 O GLY A 73 -8.717 3.563 -16.549 1.00 0.00 O ATOM 0 H GLY A 73 -6.939 2.303 -15.914 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -7.933 1.160 -18.050 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -8.920 0.352 -16.848 1.00 0.00 H new ATOM 1137 N GLY A 74 -10.495 2.336 -17.204 1.00 0.00 N ATOM 1138 CA GLY A 74 -11.506 3.347 -16.939 1.00 0.00 C ATOM 1139 C GLY A 74 -12.585 2.749 -16.044 1.00 0.00 C ATOM 1140 O GLY A 74 -12.684 1.525 -15.919 1.00 0.00 O ATOM 0 H GLY A 74 -10.871 1.489 -17.630 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -11.054 4.213 -16.456 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -11.944 3.696 -17.874 1.00 0.00 H new ATOM 1144 N LEU A 75 -13.395 3.607 -15.422 1.00 0.00 N ATOM 1145 CA LEU A 75 -14.403 3.242 -14.422 1.00 0.00 C ATOM 1146 C LEU A 75 -15.298 2.099 -14.910 1.00 0.00 C ATOM 1147 O LEU A 75 -15.549 1.145 -14.173 1.00 0.00 O ATOM 1148 CB LEU A 75 -15.212 4.512 -14.072 1.00 0.00 C ATOM 1149 CG LEU A 75 -16.251 4.416 -12.929 1.00 0.00 C ATOM 1150 CD1 LEU A 75 -17.560 3.718 -13.313 1.00 0.00 C ATOM 1151 CD2 LEU A 75 -15.670 3.793 -11.655 1.00 0.00 C ATOM 0 H LEU A 75 -13.367 4.610 -15.606 1.00 0.00 H new ATOM 0 HA LEU A 75 -13.915 2.866 -13.523 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -14.504 5.300 -13.815 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -15.734 4.835 -14.973 1.00 0.00 H new ATOM 0 HG LEU A 75 -16.506 5.456 -12.724 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -18.227 3.697 -12.451 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -18.037 4.262 -14.128 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -17.348 2.698 -13.633 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -16.442 3.750 -10.886 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -15.317 2.785 -11.871 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -14.838 4.400 -11.300 1.00 0.00 H new ATOM 1163 N LYS A 76 -15.747 2.177 -16.167 1.00 0.00 N ATOM 1164 CA LYS A 76 -16.681 1.219 -16.763 1.00 0.00 C ATOM 1165 C LYS A 76 -16.021 -0.120 -17.123 1.00 0.00 C ATOM 1166 O LYS A 76 -16.729 -1.036 -17.545 1.00 0.00 O ATOM 1167 CB LYS A 76 -17.340 1.848 -18.006 1.00 0.00 C ATOM 1168 CG LYS A 76 -18.180 3.094 -17.667 1.00 0.00 C ATOM 1169 CD LYS A 76 -18.833 3.735 -18.905 1.00 0.00 C ATOM 1170 CE LYS A 76 -19.841 2.837 -19.644 1.00 0.00 C ATOM 1171 NZ LYS A 76 -21.053 2.535 -18.839 1.00 0.00 N ATOM 0 H LYS A 76 -15.467 2.919 -16.808 1.00 0.00 H new ATOM 0 HA LYS A 76 -17.439 0.994 -16.012 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -16.566 2.121 -18.724 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -17.976 1.107 -18.489 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -18.958 2.818 -16.955 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -17.545 3.831 -17.176 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -19.340 4.649 -18.598 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -18.048 4.025 -19.603 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -20.141 3.325 -20.572 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -19.352 1.902 -19.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -21.693 1.928 -19.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -20.776 2.044 -17.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -21.540 3.422 -18.598 1.00 0.00 H new ATOM 1185 N ASP A 77 -14.699 -0.255 -16.988 1.00 0.00 N ATOM 1186 CA ASP A 77 -13.932 -1.402 -17.485 1.00 0.00 C ATOM 1187 C ASP A 77 -13.132 -2.090 -16.375 1.00 0.00 C ATOM 1188 O ASP A 77 -12.951 -3.307 -16.422 1.00 0.00 O ATOM 1189 CB ASP A 77 -12.991 -0.936 -18.602 1.00 0.00 C ATOM 1190 CG ASP A 77 -12.123 -2.093 -19.125 1.00 0.00 C ATOM 1191 OD1 ASP A 77 -12.647 -2.967 -19.852 1.00 0.00 O ATOM 1192 OD2 ASP A 77 -10.904 -2.111 -18.844 1.00 0.00 O ATOM 0 H ASP A 77 -14.120 0.443 -16.521 1.00 0.00 H new ATOM 0 HA ASP A 77 -14.639 -2.136 -17.871 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -13.576 -0.519 -19.422 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -12.349 -0.138 -18.230 1.00 0.00 H new ATOM 1197 N ILE A 78 -12.693 -1.343 -15.357 1.00 0.00 N ATOM 1198 CA ILE A 78 -12.046 -1.887 -14.164 1.00 0.00 C ATOM 1199 C ILE A 78 -13.037 -2.838 -13.477 1.00 0.00 C ATOM 1200 O ILE A 78 -14.193 -2.473 -13.252 1.00 0.00 O ATOM 1201 CB ILE A 78 -11.573 -0.712 -13.271 1.00 0.00 C ATOM 1202 CG1 ILE A 78 -10.374 -0.010 -13.949 1.00 0.00 C ATOM 1203 CG2 ILE A 78 -11.180 -1.176 -11.856 1.00 0.00 C ATOM 1204 CD1 ILE A 78 -10.088 1.389 -13.398 1.00 0.00 C ATOM 0 H ILE A 78 -12.780 -0.327 -15.341 1.00 0.00 H new ATOM 0 HA ILE A 78 -11.155 -2.469 -14.400 1.00 0.00 H new ATOM 0 HB ILE A 78 -12.406 -0.017 -13.161 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -9.485 -0.628 -13.825 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -10.565 0.063 -15.020 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -10.856 -0.317 -11.268 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -12.040 -1.642 -11.374 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -10.366 -1.898 -11.923 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -9.234 1.819 -13.922 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -10.961 2.024 -13.546 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -9.865 1.322 -12.333 1.00 0.00 H new ATOM 1216 N ALA A 79 -12.590 -4.053 -13.141 1.00 0.00 N ATOM 1217 CA ALA A 79 -13.449 -5.107 -12.598 1.00 0.00 C ATOM 1218 C ALA A 79 -13.708 -4.965 -11.089 1.00 0.00 C ATOM 1219 O ALA A 79 -14.619 -5.611 -10.567 1.00 0.00 O ATOM 1220 CB ALA A 79 -12.809 -6.470 -12.892 1.00 0.00 C ATOM 0 H ALA A 79 -11.614 -4.333 -13.240 1.00 0.00 H new ATOM 0 HA ALA A 79 -14.420 -5.018 -13.085 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -13.441 -7.263 -12.492 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -12.705 -6.598 -13.969 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -11.826 -6.519 -12.424 1.00 0.00 H new ATOM 1226 N MET A 80 -12.908 -4.160 -10.380 1.00 0.00 N ATOM 1227 CA MET A 80 -13.044 -3.932 -8.938 1.00 0.00 C ATOM 1228 C MET A 80 -14.404 -3.288 -8.604 1.00 0.00 C ATOM 1229 O MET A 80 -14.998 -2.641 -9.475 1.00 0.00 O ATOM 1230 CB MET A 80 -11.879 -3.055 -8.447 1.00 0.00 C ATOM 1231 CG MET A 80 -10.568 -3.847 -8.370 1.00 0.00 C ATOM 1232 SD MET A 80 -9.082 -2.857 -8.035 1.00 0.00 S ATOM 1233 CE MET A 80 -9.426 -2.218 -6.372 1.00 0.00 C ATOM 0 H MET A 80 -12.136 -3.641 -10.799 1.00 0.00 H new ATOM 0 HA MET A 80 -13.007 -4.891 -8.422 1.00 0.00 H new ATOM 0 HB2 MET A 80 -11.753 -2.207 -9.120 1.00 0.00 H new ATOM 0 HB3 MET A 80 -12.118 -2.649 -7.464 1.00 0.00 H new ATOM 0 HG2 MET A 80 -10.664 -4.603 -7.590 1.00 0.00 H new ATOM 0 HG3 MET A 80 -10.427 -4.377 -9.312 1.00 0.00 H new ATOM 0 HE1 MET A 80 -8.580 -1.623 -6.029 1.00 0.00 H new ATOM 0 HE2 MET A 80 -10.320 -1.595 -6.399 1.00 0.00 H new ATOM 0 HE3 MET A 80 -9.585 -3.051 -5.688 1.00 0.00 H new ATOM 1243 N PRO A 81 -14.906 -3.439 -7.362 1.00 0.00 N ATOM 1244 CA PRO A 81 -16.174 -2.852 -6.936 1.00 0.00 C ATOM 1245 C PRO A 81 -16.091 -1.323 -6.847 1.00 0.00 C ATOM 1246 O PRO A 81 -15.004 -0.738 -6.819 1.00 0.00 O ATOM 1247 CB PRO A 81 -16.489 -3.491 -5.578 1.00 0.00 C ATOM 1248 CG PRO A 81 -15.112 -3.843 -5.021 1.00 0.00 C ATOM 1249 CD PRO A 81 -14.325 -4.219 -6.274 1.00 0.00 C ATOM 0 HA PRO A 81 -16.967 -3.049 -7.657 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -17.022 -2.801 -4.924 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -17.116 -4.376 -5.687 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -14.660 -3.000 -4.498 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -15.162 -4.669 -4.312 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -13.266 -3.991 -6.153 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -14.400 -5.287 -6.476 1.00 0.00 H new ATOM 1257 N LYS A 82 -17.255 -0.671 -6.769 1.00 0.00 N ATOM 1258 CA LYS A 82 -17.383 0.784 -6.753 1.00 0.00 C ATOM 1259 C LYS A 82 -18.218 1.219 -5.552 1.00 0.00 C ATOM 1260 O LYS A 82 -18.970 0.422 -4.987 1.00 0.00 O ATOM 1261 CB LYS A 82 -18.023 1.315 -8.056 1.00 0.00 C ATOM 1262 CG LYS A 82 -17.187 1.164 -9.338 1.00 0.00 C ATOM 1263 CD LYS A 82 -17.369 -0.187 -10.040 1.00 0.00 C ATOM 1264 CE LYS A 82 -16.452 -0.282 -11.266 1.00 0.00 C ATOM 1265 NZ LYS A 82 -16.370 -1.673 -11.763 1.00 0.00 N ATOM 0 H LYS A 82 -18.152 -1.153 -6.714 1.00 0.00 H new ATOM 0 HA LYS A 82 -16.381 1.206 -6.676 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -18.973 0.801 -8.205 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -18.251 2.372 -7.919 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -17.454 1.962 -10.031 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -16.133 1.296 -9.091 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -17.144 -0.997 -9.346 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -18.408 -0.308 -10.345 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -16.827 0.368 -12.056 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -15.455 0.074 -11.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -15.631 -1.738 -12.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -16.136 -2.310 -10.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -17.285 -1.950 -12.172 1.00 0.00 H new ATOM 1279 N VAL A 83 -18.114 2.498 -5.207 1.00 0.00 N ATOM 1280 CA VAL A 83 -18.878 3.181 -4.171 1.00 0.00 C ATOM 1281 C VAL A 83 -19.300 4.548 -4.730 1.00 0.00 C ATOM 1282 O VAL A 83 -18.760 4.999 -5.746 1.00 0.00 O ATOM 1283 CB VAL A 83 -18.048 3.283 -2.868 1.00 0.00 C ATOM 1284 CG1 VAL A 83 -17.806 1.903 -2.235 1.00 0.00 C ATOM 1285 CG2 VAL A 83 -16.690 3.975 -3.066 1.00 0.00 C ATOM 0 H VAL A 83 -17.454 3.122 -5.671 1.00 0.00 H new ATOM 0 HA VAL A 83 -19.776 2.624 -3.904 1.00 0.00 H new ATOM 0 HB VAL A 83 -18.652 3.897 -2.200 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -17.220 2.019 -1.323 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -18.763 1.440 -1.995 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -17.263 1.271 -2.937 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -16.159 4.014 -2.115 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -16.098 3.414 -3.789 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -16.848 4.989 -3.435 1.00 0.00 H new