USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 598 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 29 SER OG : rot -83:sc= -0.202 USER MOD Set 1.2: A 30 HIS : no HD1:sc= -1.73 X(o=-1.9,f=-2) USER MOD Set 2.1: A 28 TYR OH : rot 50:sc= 1.04 USER MOD Set 2.2: A 32 LYS NZ :NH3+ -136:sc= -0.449! (180deg=-0.899) USER MOD Single : A 7 LYS NZ :NH3+ -157:sc= 1.16 (180deg=-0.0396) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HE2:sc= -0.391 K(o=-0.39,f=-5.7!) USER MOD Single : A 16 LYS NZ :NH3+ 166:sc=-0.00413 (180deg=-0.205) USER MOD Single : A 17 THR OG1 : rot -2:sc= 0.75 USER MOD Single : A 18 LYS NZ :NH3+ -117:sc= -0.121 (180deg=-1.21) USER MOD Single : A 24 MET CE :methyl -172:sc= -0.15 (180deg=-0.197) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0.287 K(o=0.29,f=-3.3!) USER MOD Single : A 35 THR OG1 : rot -91:sc= 0.952 USER MOD Single : A 40 ASN : amide:sc= 0.163 K(o=0.16,f=-3.9!) USER MOD Single : A 41 THR OG1 : rot 91:sc= 0.581 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -138:sc= -0.185 (180deg=-1.72!) USER MOD Single : A 59 ASN : amide:sc= -0.381 K(o=-0.38,f=-4.4!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot -131:sc= 0.33 USER MOD Single : A 66 LYS NZ :NH3+ -120:sc= -3.79! (180deg=-7.56!) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.522) USER MOD Single : A 73 TYR OH : rot 70:sc= -2.53! USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ -123:sc= -2.36! (180deg=-7.61!) USER MOD Single : A 82 LYS NZ :NH3+ 151:sc= -3.05! (180deg=-3.45!) USER MOD Single : A 83 LYS NZ :NH3+ -175:sc= 0.152 (180deg=-0.0625!) USER MOD Single : A 84 TYR OH : rot -175:sc= 0.787 USER MOD ----------------------------------------------------------------- ATOM 41 N GLU A 4 4.842 1.957 -1.261 1.00 0.43 N ATOM 42 CA GLU A 4 5.543 0.758 -0.751 1.00 0.40 C ATOM 43 C GLU A 4 6.903 0.618 -1.380 1.00 0.34 C ATOM 44 O GLU A 4 7.913 0.337 -0.769 1.00 0.38 O ATOM 45 CB GLU A 4 4.602 -0.426 -1.036 1.00 0.53 C ATOM 46 CG GLU A 4 3.408 -0.485 -0.006 1.00 0.90 C ATOM 47 CD GLU A 4 2.358 -1.584 -0.321 1.00 1.84 C ATOM 48 OE1 GLU A 4 2.445 -2.153 -1.401 1.00 2.79 O ATOM 49 OE2 GLU A 4 1.516 -1.779 0.544 1.00 2.51 O ATOM 0 HA GLU A 4 5.748 0.817 0.318 1.00 0.40 H new ATOM 0 HB2 GLU A 4 4.206 -0.340 -2.048 1.00 0.53 H new ATOM 0 HB3 GLU A 4 5.166 -1.358 -0.993 1.00 0.53 H new ATOM 0 HG2 GLU A 4 3.811 -0.657 0.992 1.00 0.90 H new ATOM 0 HG3 GLU A 4 2.910 0.484 0.014 1.00 0.90 H new ATOM 56 N PHE A 5 6.853 0.851 -2.634 1.00 0.26 N ATOM 57 CA PHE A 5 8.041 0.782 -3.484 1.00 0.17 C ATOM 58 C PHE A 5 9.055 1.896 -3.139 1.00 0.15 C ATOM 59 O PHE A 5 10.234 1.672 -2.986 1.00 0.19 O ATOM 60 CB PHE A 5 7.385 0.829 -4.798 1.00 0.30 C ATOM 61 CG PHE A 5 8.451 1.038 -5.809 1.00 0.20 C ATOM 62 CD1 PHE A 5 8.919 2.302 -5.970 1.00 1.33 C ATOM 63 CD2 PHE A 5 8.949 -0.011 -6.534 1.00 1.07 C ATOM 64 CE1 PHE A 5 9.905 2.535 -6.873 1.00 1.28 C ATOM 65 CE2 PHE A 5 9.942 0.204 -7.447 1.00 1.15 C ATOM 66 CZ PHE A 5 10.420 1.486 -7.617 1.00 0.23 C ATOM 0 H PHE A 5 5.997 1.099 -3.131 1.00 0.26 H new ATOM 0 HA PHE A 5 8.694 -0.085 -3.387 1.00 0.17 H new ATOM 0 HB2 PHE A 5 6.845 -0.098 -4.993 1.00 0.30 H new ATOM 0 HB3 PHE A 5 6.654 1.637 -4.835 1.00 0.30 H new ATOM 0 HD1 PHE A 5 8.511 3.114 -5.386 1.00 1.33 H new ATOM 0 HD2 PHE A 5 8.558 -1.006 -6.384 1.00 1.07 H new ATOM 0 HE1 PHE A 5 10.287 3.536 -7.011 1.00 1.28 H new ATOM 0 HE2 PHE A 5 10.345 -0.615 -8.025 1.00 1.15 H new ATOM 0 HZ PHE A 5 11.203 1.674 -8.337 1.00 0.23 H new ATOM 76 N ASP A 6 8.530 3.078 -3.056 1.00 0.25 N ATOM 77 CA ASP A 6 9.284 4.298 -2.720 1.00 0.37 C ATOM 78 C ASP A 6 10.112 3.976 -1.495 1.00 0.37 C ATOM 79 O ASP A 6 11.306 4.198 -1.428 1.00 0.42 O ATOM 80 CB ASP A 6 8.191 5.337 -2.526 1.00 0.47 C ATOM 81 CG ASP A 6 7.462 5.558 -3.844 1.00 0.52 C ATOM 82 OD1 ASP A 6 6.893 4.598 -4.337 1.00 0.74 O ATOM 83 OD2 ASP A 6 7.513 6.681 -4.290 1.00 1.56 O ATOM 0 H ASP A 6 7.538 3.252 -3.220 1.00 0.25 H new ATOM 0 HA ASP A 6 9.995 4.670 -3.458 1.00 0.37 H new ATOM 0 HB2 ASP A 6 7.489 5.004 -1.761 1.00 0.47 H new ATOM 0 HB3 ASP A 6 8.623 6.274 -2.175 1.00 0.47 H new ATOM 88 N LYS A 7 9.399 3.427 -0.550 1.00 0.35 N ATOM 89 CA LYS A 7 10.049 3.026 0.739 1.00 0.44 C ATOM 90 C LYS A 7 11.308 2.261 0.337 1.00 0.34 C ATOM 91 O LYS A 7 12.408 2.664 0.629 1.00 0.27 O ATOM 92 CB LYS A 7 9.151 2.092 1.530 1.00 0.62 C ATOM 93 CG LYS A 7 9.834 1.637 2.844 1.00 0.73 C ATOM 94 CD LYS A 7 9.209 0.262 3.195 1.00 1.98 C ATOM 95 CE LYS A 7 10.034 -0.914 2.579 1.00 3.16 C ATOM 96 NZ LYS A 7 11.298 -1.141 3.374 1.00 3.15 N ATOM 0 H LYS A 7 8.399 3.238 -0.610 1.00 0.35 H new ATOM 0 HA LYS A 7 10.256 3.899 1.359 1.00 0.44 H new ATOM 0 HB2 LYS A 7 8.212 2.595 1.761 1.00 0.62 H new ATOM 0 HB3 LYS A 7 8.905 1.220 0.924 1.00 0.62 H new ATOM 0 HG2 LYS A 7 10.913 1.554 2.715 1.00 0.73 H new ATOM 0 HG3 LYS A 7 9.664 2.359 3.643 1.00 0.73 H new ATOM 0 HD2 LYS A 7 9.163 0.148 4.278 1.00 1.98 H new ATOM 0 HD3 LYS A 7 8.184 0.222 2.826 1.00 1.98 H new ATOM 0 HE2 LYS A 7 9.433 -1.823 2.571 1.00 3.16 H new ATOM 0 HE3 LYS A 7 10.284 -0.688 1.542 1.00 3.16 H new ATOM 0 HZ1 LYS A 7 12.003 -1.619 2.777 1.00 3.15 H new ATOM 0 HZ2 LYS A 7 11.677 -0.226 3.692 1.00 3.15 H new ATOM 0 HZ3 LYS A 7 11.086 -1.735 4.201 1.00 3.15 H new ATOM 110 N ALA A 8 11.104 1.157 -0.328 1.00 0.34 N ATOM 111 CA ALA A 8 12.257 0.325 -0.780 1.00 0.28 C ATOM 112 C ALA A 8 13.329 1.177 -1.518 1.00 0.25 C ATOM 113 O ALA A 8 14.499 1.156 -1.188 1.00 0.25 O ATOM 114 CB ALA A 8 11.675 -0.760 -1.673 1.00 0.26 C ATOM 0 H ALA A 8 10.185 0.793 -0.579 1.00 0.34 H new ATOM 0 HA ALA A 8 12.779 -0.114 0.070 1.00 0.28 H new ATOM 0 HB1 ALA A 8 12.478 -1.403 -2.035 1.00 0.26 H new ATOM 0 HB2 ALA A 8 10.962 -1.356 -1.104 1.00 0.26 H new ATOM 0 HB3 ALA A 8 11.168 -0.300 -2.521 1.00 0.26 H new ATOM 120 N ALA A 9 12.888 1.908 -2.501 1.00 0.22 N ATOM 121 CA ALA A 9 13.784 2.766 -3.286 1.00 0.19 C ATOM 122 C ALA A 9 14.649 3.665 -2.430 1.00 0.25 C ATOM 123 O ALA A 9 15.830 3.821 -2.672 1.00 0.53 O ATOM 124 CB ALA A 9 12.916 3.577 -4.217 1.00 0.22 C ATOM 0 H ALA A 9 11.911 1.940 -2.793 1.00 0.22 H new ATOM 0 HA ALA A 9 14.485 2.141 -3.839 1.00 0.19 H new ATOM 0 HB1 ALA A 9 13.544 4.231 -4.822 1.00 0.22 H new ATOM 0 HB2 ALA A 9 12.356 2.906 -4.869 1.00 0.22 H new ATOM 0 HB3 ALA A 9 12.220 4.180 -3.633 1.00 0.22 H new ATOM 130 N GLU A 10 14.032 4.214 -1.431 1.00 0.22 N ATOM 131 CA GLU A 10 14.800 5.115 -0.543 1.00 0.30 C ATOM 132 C GLU A 10 15.696 4.175 0.196 1.00 0.31 C ATOM 133 O GLU A 10 16.900 4.313 0.160 1.00 0.37 O ATOM 134 CB GLU A 10 13.769 5.863 0.334 1.00 0.35 C ATOM 135 CG GLU A 10 13.024 6.868 -0.610 1.00 1.28 C ATOM 136 CD GLU A 10 14.043 7.877 -1.189 1.00 2.54 C ATOM 137 OE1 GLU A 10 14.307 8.837 -0.484 1.00 2.87 O ATOM 138 OE2 GLU A 10 14.502 7.610 -2.286 1.00 3.76 O ATOM 0 H GLU A 10 13.049 4.082 -1.193 1.00 0.22 H new ATOM 0 HA GLU A 10 15.402 5.890 -1.017 1.00 0.30 H new ATOM 0 HB2 GLU A 10 13.066 5.164 0.788 1.00 0.35 H new ATOM 0 HB3 GLU A 10 14.264 6.391 1.149 1.00 0.35 H new ATOM 0 HG2 GLU A 10 12.530 6.328 -1.418 1.00 1.28 H new ATOM 0 HG3 GLU A 10 12.246 7.395 -0.057 1.00 1.28 H new ATOM 145 N GLU A 11 15.100 3.214 0.825 1.00 0.27 N ATOM 146 CA GLU A 11 15.855 2.215 1.593 1.00 0.33 C ATOM 147 C GLU A 11 17.183 1.792 0.950 1.00 0.36 C ATOM 148 O GLU A 11 18.258 2.048 1.452 1.00 0.45 O ATOM 149 CB GLU A 11 14.808 1.142 1.736 1.00 0.35 C ATOM 150 CG GLU A 11 14.037 1.376 3.033 1.00 0.43 C ATOM 151 CD GLU A 11 14.130 0.188 3.984 1.00 0.76 C ATOM 152 OE1 GLU A 11 15.120 -0.521 3.943 1.00 1.59 O ATOM 153 OE2 GLU A 11 13.177 0.036 4.736 1.00 0.37 O ATOM 0 H GLU A 11 14.089 3.080 0.836 1.00 0.27 H new ATOM 0 HA GLU A 11 16.244 2.563 2.550 1.00 0.33 H new ATOM 0 HB2 GLU A 11 14.128 1.162 0.884 1.00 0.35 H new ATOM 0 HB3 GLU A 11 15.276 0.158 1.747 1.00 0.35 H new ATOM 0 HG2 GLU A 11 14.425 2.266 3.528 1.00 0.43 H new ATOM 0 HG3 GLU A 11 12.990 1.571 2.801 1.00 0.43 H new ATOM 160 N VAL A 12 17.066 1.161 -0.180 1.00 0.34 N ATOM 161 CA VAL A 12 18.195 0.665 -0.971 1.00 0.36 C ATOM 162 C VAL A 12 19.202 1.778 -1.211 1.00 0.36 C ATOM 163 O VAL A 12 20.397 1.608 -1.069 1.00 0.40 O ATOM 164 CB VAL A 12 17.563 0.103 -2.248 1.00 0.38 C ATOM 165 CG1 VAL A 12 17.478 1.055 -3.421 1.00 0.31 C ATOM 166 CG2 VAL A 12 18.274 -1.136 -2.600 1.00 0.48 C ATOM 0 H VAL A 12 16.161 0.962 -0.606 1.00 0.34 H new ATOM 0 HA VAL A 12 18.771 -0.114 -0.471 1.00 0.36 H new ATOM 0 HB VAL A 12 16.514 -0.089 -2.022 1.00 0.38 H new ATOM 0 HG11 VAL A 12 17.014 0.549 -4.268 1.00 0.31 H new ATOM 0 HG12 VAL A 12 16.878 1.922 -3.143 1.00 0.31 H new ATOM 0 HG13 VAL A 12 18.480 1.381 -3.698 1.00 0.31 H new ATOM 0 HG21 VAL A 12 17.843 -1.558 -3.508 1.00 0.48 H new ATOM 0 HG22 VAL A 12 19.328 -0.915 -2.768 1.00 0.48 H new ATOM 0 HG23 VAL A 12 18.179 -1.854 -1.786 1.00 0.48 H new ATOM 176 N LYS A 13 18.715 2.933 -1.563 1.00 0.33 N ATOM 177 CA LYS A 13 19.666 4.047 -1.811 1.00 0.36 C ATOM 178 C LYS A 13 20.433 4.529 -0.578 1.00 0.50 C ATOM 179 O LYS A 13 21.277 5.404 -0.683 1.00 0.65 O ATOM 180 CB LYS A 13 18.831 5.126 -2.457 1.00 0.49 C ATOM 181 CG LYS A 13 19.019 4.964 -3.977 1.00 0.69 C ATOM 182 CD LYS A 13 20.125 5.928 -4.471 1.00 1.68 C ATOM 183 CE LYS A 13 21.418 5.887 -3.629 1.00 2.75 C ATOM 184 NZ LYS A 13 22.377 6.799 -4.275 1.00 2.96 N ATOM 0 H LYS A 13 17.726 3.151 -1.687 1.00 0.33 H new ATOM 0 HA LYS A 13 20.482 3.717 -2.454 1.00 0.36 H new ATOM 0 HB2 LYS A 13 17.781 5.023 -2.182 1.00 0.49 H new ATOM 0 HB3 LYS A 13 19.151 6.115 -2.129 1.00 0.49 H new ATOM 0 HG2 LYS A 13 19.289 3.934 -4.212 1.00 0.69 H new ATOM 0 HG3 LYS A 13 18.082 5.174 -4.494 1.00 0.69 H new ATOM 0 HD2 LYS A 13 20.369 5.684 -5.505 1.00 1.68 H new ATOM 0 HD3 LYS A 13 19.734 6.945 -4.467 1.00 1.68 H new ATOM 0 HE2 LYS A 13 21.221 6.197 -2.603 1.00 2.75 H new ATOM 0 HE3 LYS A 13 21.818 4.874 -3.584 1.00 2.75 H new ATOM 0 HZ1 LYS A 13 23.268 6.803 -3.738 1.00 2.96 H new ATOM 0 HZ2 LYS A 13 22.560 6.478 -5.247 1.00 2.96 H new ATOM 0 HZ3 LYS A 13 21.981 7.761 -4.296 1.00 2.96 H new ATOM 198 N HIS A 14 20.081 3.908 0.523 1.00 0.50 N ATOM 199 CA HIS A 14 20.680 4.174 1.860 1.00 0.51 C ATOM 200 C HIS A 14 21.349 2.876 2.378 1.00 0.37 C ATOM 201 O HIS A 14 21.706 2.820 3.539 1.00 0.35 O ATOM 202 CB HIS A 14 19.594 4.612 2.889 1.00 0.64 C ATOM 203 CG HIS A 14 18.912 5.904 2.470 1.00 0.72 C ATOM 204 ND1 HIS A 14 17.783 5.942 1.859 1.00 0.70 N ATOM 205 CD2 HIS A 14 19.278 7.229 2.605 1.00 0.89 C ATOM 206 CE1 HIS A 14 17.450 7.175 1.621 1.00 0.86 C ATOM 207 NE2 HIS A 14 18.356 8.007 2.072 1.00 0.98 N ATOM 0 H HIS A 14 19.360 3.187 0.542 1.00 0.50 H new ATOM 0 HA HIS A 14 21.409 4.978 1.755 1.00 0.51 H new ATOM 0 HB2 HIS A 14 18.849 3.823 2.990 1.00 0.64 H new ATOM 0 HB3 HIS A 14 20.053 4.744 3.869 1.00 0.64 H new ATOM 0 HD1 HIS A 14 17.230 5.125 1.599 1.00 0.70 H new ATOM 0 HD2 HIS A 14 20.185 7.577 3.077 1.00 0.89 H new ATOM 0 HE1 HIS A 14 16.543 7.475 1.117 1.00 0.86 H new ATOM 215 N LEU A 15 21.523 1.845 1.571 1.00 0.36 N ATOM 216 CA LEU A 15 22.175 0.639 2.120 1.00 0.34 C ATOM 217 C LEU A 15 23.575 1.069 2.512 1.00 0.45 C ATOM 218 O LEU A 15 24.207 1.810 1.782 1.00 0.95 O ATOM 219 CB LEU A 15 22.279 -0.400 1.051 1.00 0.42 C ATOM 220 CG LEU A 15 20.947 -0.891 0.583 1.00 0.39 C ATOM 221 CD1 LEU A 15 21.203 -1.612 -0.697 1.00 0.64 C ATOM 222 CD2 LEU A 15 20.327 -1.923 1.512 1.00 0.23 C ATOM 0 H LEU A 15 21.246 1.800 0.590 1.00 0.36 H new ATOM 0 HA LEU A 15 21.616 0.228 2.960 1.00 0.34 H new ATOM 0 HB2 LEU A 15 22.827 0.012 0.203 1.00 0.42 H new ATOM 0 HB3 LEU A 15 22.860 -1.243 1.426 1.00 0.42 H new ATOM 0 HG LEU A 15 20.275 -0.036 0.516 1.00 0.39 H new ATOM 0 HD11 LEU A 15 20.263 -1.997 -1.092 1.00 0.64 H new ATOM 0 HD12 LEU A 15 21.646 -0.926 -1.419 1.00 0.64 H new ATOM 0 HD13 LEU A 15 21.888 -2.441 -0.517 1.00 0.64 H new ATOM 0 HD21 LEU A 15 19.362 -2.237 1.114 1.00 0.23 H new ATOM 0 HD22 LEU A 15 20.987 -2.787 1.588 1.00 0.23 H new ATOM 0 HD23 LEU A 15 20.187 -1.485 2.500 1.00 0.23 H new ATOM 234 N LYS A 16 24.057 0.614 3.632 1.00 0.36 N ATOM 235 CA LYS A 16 25.432 1.075 3.933 1.00 0.26 C ATOM 236 C LYS A 16 26.373 0.365 2.956 1.00 0.25 C ATOM 237 O LYS A 16 27.530 0.725 2.876 1.00 0.42 O ATOM 238 CB LYS A 16 25.795 0.714 5.391 1.00 0.42 C ATOM 239 CG LYS A 16 25.004 1.620 6.372 1.00 0.71 C ATOM 240 CD LYS A 16 25.347 1.221 7.847 1.00 1.02 C ATOM 241 CE LYS A 16 26.820 1.505 8.202 1.00 1.93 C ATOM 242 NZ LYS A 16 27.048 2.989 8.184 1.00 3.23 N ATOM 0 H LYS A 16 23.603 -0.006 4.302 1.00 0.36 H new ATOM 0 HA LYS A 16 25.516 2.156 3.823 1.00 0.26 H new ATOM 0 HB2 LYS A 16 25.564 -0.334 5.584 1.00 0.42 H new ATOM 0 HB3 LYS A 16 26.866 0.839 5.550 1.00 0.42 H new ATOM 0 HG2 LYS A 16 25.255 2.667 6.200 1.00 0.71 H new ATOM 0 HG3 LYS A 16 23.933 1.516 6.196 1.00 0.71 H new ATOM 0 HD2 LYS A 16 24.699 1.770 8.530 1.00 1.02 H new ATOM 0 HD3 LYS A 16 25.138 0.161 7.992 1.00 1.02 H new ATOM 0 HE2 LYS A 16 27.055 1.100 9.186 1.00 1.93 H new ATOM 0 HE3 LYS A 16 27.481 1.013 7.488 1.00 1.93 H new ATOM 0 HZ1 LYS A 16 27.954 3.207 8.645 1.00 3.23 H new ATOM 0 HZ2 LYS A 16 27.071 3.325 7.200 1.00 3.23 H new ATOM 0 HZ3 LYS A 16 26.277 3.465 8.694 1.00 3.23 H new ATOM 256 N THR A 17 25.888 -0.609 2.223 1.00 0.22 N ATOM 257 CA THR A 17 26.806 -1.317 1.284 1.00 0.29 C ATOM 258 C THR A 17 26.617 -1.921 -0.122 1.00 0.33 C ATOM 259 O THR A 17 26.117 -3.018 -0.209 1.00 0.42 O ATOM 260 CB THR A 17 27.458 -2.426 2.160 1.00 0.16 C ATOM 261 OG1 THR A 17 28.400 -1.823 3.032 1.00 0.13 O ATOM 262 CG2 THR A 17 28.304 -3.386 1.381 1.00 0.13 C ATOM 0 H THR A 17 24.922 -0.936 2.234 1.00 0.22 H new ATOM 0 HA THR A 17 27.264 -0.413 0.882 1.00 0.29 H new ATOM 0 HB THR A 17 26.624 -2.937 2.642 1.00 0.16 H new ATOM 0 HG1 THR A 17 28.440 -0.860 2.855 1.00 0.13 H new ATOM 0 HG21 THR A 17 28.726 -4.130 2.056 1.00 0.13 H new ATOM 0 HG22 THR A 17 27.691 -3.884 0.629 1.00 0.13 H new ATOM 0 HG23 THR A 17 29.112 -2.843 0.890 1.00 0.13 H new ATOM 270 N LYS A 18 26.962 -1.224 -1.173 1.00 0.39 N ATOM 271 CA LYS A 18 26.882 -1.753 -2.580 1.00 0.57 C ATOM 272 C LYS A 18 26.698 -3.288 -2.712 1.00 0.57 C ATOM 273 O LYS A 18 27.669 -4.008 -2.847 1.00 0.59 O ATOM 274 CB LYS A 18 28.210 -1.271 -3.248 1.00 0.61 C ATOM 275 CG LYS A 18 29.446 -1.805 -2.481 1.00 1.66 C ATOM 276 CD LYS A 18 30.742 -1.241 -3.120 1.00 1.65 C ATOM 277 CE LYS A 18 31.903 -2.090 -2.643 1.00 2.30 C ATOM 278 NZ LYS A 18 31.755 -3.415 -3.323 1.00 2.40 N ATOM 0 H LYS A 18 27.312 -0.268 -1.116 1.00 0.39 H new ATOM 0 HA LYS A 18 25.982 -1.375 -3.065 1.00 0.57 H new ATOM 0 HB2 LYS A 18 28.245 -1.612 -4.283 1.00 0.61 H new ATOM 0 HB3 LYS A 18 28.235 -0.182 -3.271 1.00 0.61 H new ATOM 0 HG2 LYS A 18 29.389 -1.513 -1.432 1.00 1.66 H new ATOM 0 HG3 LYS A 18 29.460 -2.895 -2.508 1.00 1.66 H new ATOM 0 HD2 LYS A 18 30.673 -1.265 -4.208 1.00 1.65 H new ATOM 0 HD3 LYS A 18 30.887 -0.200 -2.833 1.00 1.65 H new ATOM 0 HE2 LYS A 18 32.856 -1.626 -2.897 1.00 2.30 H new ATOM 0 HE3 LYS A 18 31.883 -2.204 -1.559 1.00 2.30 H new ATOM 0 HZ1 LYS A 18 31.603 -4.156 -2.610 1.00 2.40 H new ATOM 0 HZ2 LYS A 18 30.941 -3.385 -3.969 1.00 2.40 H new ATOM 0 HZ3 LYS A 18 32.618 -3.626 -3.864 1.00 2.40 H new ATOM 292 N PRO A 19 25.476 -3.745 -2.651 1.00 0.55 N ATOM 293 CA PRO A 19 25.183 -5.197 -2.770 1.00 0.56 C ATOM 294 C PRO A 19 25.774 -5.898 -4.011 1.00 0.59 C ATOM 295 O PRO A 19 26.341 -5.262 -4.880 1.00 0.60 O ATOM 296 CB PRO A 19 23.675 -5.212 -2.698 1.00 0.54 C ATOM 297 CG PRO A 19 23.364 -3.970 -1.817 1.00 0.54 C ATOM 298 CD PRO A 19 24.254 -2.922 -2.427 1.00 0.53 C ATOM 0 HA PRO A 19 25.665 -5.788 -1.991 1.00 0.56 H new ATOM 0 HB2 PRO A 19 23.221 -5.132 -3.686 1.00 0.54 H new ATOM 0 HB3 PRO A 19 23.300 -6.132 -2.249 1.00 0.54 H new ATOM 0 HG2 PRO A 19 22.312 -3.689 -1.864 1.00 0.54 H new ATOM 0 HG3 PRO A 19 23.600 -4.145 -0.767 1.00 0.54 H new ATOM 0 HD2 PRO A 19 23.848 -2.513 -3.352 1.00 0.53 H new ATOM 0 HD3 PRO A 19 24.432 -2.080 -1.757 1.00 0.53 H new ATOM 306 N ALA A 20 25.626 -7.199 -4.079 1.00 0.61 N ATOM 307 CA ALA A 20 26.183 -7.941 -5.269 1.00 0.68 C ATOM 308 C ALA A 20 25.632 -7.364 -6.599 1.00 0.68 C ATOM 309 O ALA A 20 24.431 -7.315 -6.804 1.00 0.70 O ATOM 310 CB ALA A 20 25.808 -9.418 -5.153 1.00 0.71 C ATOM 0 H ALA A 20 25.155 -7.775 -3.381 1.00 0.61 H new ATOM 0 HA ALA A 20 27.267 -7.826 -5.277 1.00 0.68 H new ATOM 0 HB1 ALA A 20 26.206 -9.963 -6.009 1.00 0.71 H new ATOM 0 HB2 ALA A 20 26.227 -9.829 -4.234 1.00 0.71 H new ATOM 0 HB3 ALA A 20 24.723 -9.517 -5.133 1.00 0.71 H new ATOM 316 N ASP A 21 26.515 -6.941 -7.467 1.00 0.67 N ATOM 317 CA ASP A 21 26.089 -6.360 -8.781 1.00 0.66 C ATOM 318 C ASP A 21 24.858 -7.076 -9.387 1.00 0.58 C ATOM 319 O ASP A 21 24.021 -6.401 -9.933 1.00 0.50 O ATOM 320 CB ASP A 21 27.285 -6.399 -9.776 1.00 0.84 C ATOM 321 CG ASP A 21 28.582 -5.840 -9.182 1.00 1.17 C ATOM 322 OD1 ASP A 21 29.035 -6.414 -8.205 1.00 2.26 O ATOM 323 OD2 ASP A 21 29.053 -4.869 -9.742 1.00 1.31 O ATOM 0 H ASP A 21 27.524 -6.973 -7.322 1.00 0.67 H new ATOM 0 HA ASP A 21 25.786 -5.329 -8.600 1.00 0.66 H new ATOM 0 HB2 ASP A 21 27.452 -7.428 -10.093 1.00 0.84 H new ATOM 0 HB3 ASP A 21 27.026 -5.829 -10.668 1.00 0.84 H new ATOM 328 N GLU A 22 24.724 -8.380 -9.316 1.00 0.64 N ATOM 329 CA GLU A 22 23.524 -9.066 -9.893 1.00 0.60 C ATOM 330 C GLU A 22 22.251 -8.620 -9.103 1.00 0.50 C ATOM 331 O GLU A 22 21.186 -8.379 -9.652 1.00 0.42 O ATOM 332 CB GLU A 22 23.721 -10.619 -9.790 1.00 0.77 C ATOM 333 CG GLU A 22 24.931 -11.094 -10.647 1.00 0.84 C ATOM 334 CD GLU A 22 25.062 -12.641 -10.689 1.00 1.33 C ATOM 335 OE1 GLU A 22 25.264 -13.230 -9.636 1.00 1.62 O ATOM 336 OE2 GLU A 22 24.955 -13.152 -11.791 1.00 2.27 O ATOM 0 H GLU A 22 25.402 -9.004 -8.878 1.00 0.64 H new ATOM 0 HA GLU A 22 23.401 -8.796 -10.942 1.00 0.60 H new ATOM 0 HB2 GLU A 22 23.878 -10.899 -8.748 1.00 0.77 H new ATOM 0 HB3 GLU A 22 22.815 -11.126 -10.124 1.00 0.77 H new ATOM 0 HG2 GLU A 22 24.823 -10.714 -11.663 1.00 0.84 H new ATOM 0 HG3 GLU A 22 25.848 -10.666 -10.243 1.00 0.84 H new ATOM 343 N GLU A 23 22.395 -8.504 -7.804 1.00 0.51 N ATOM 344 CA GLU A 23 21.240 -8.077 -6.949 1.00 0.39 C ATOM 345 C GLU A 23 20.966 -6.609 -7.325 1.00 0.33 C ATOM 346 O GLU A 23 19.830 -6.175 -7.421 1.00 0.24 O ATOM 347 CB GLU A 23 21.603 -8.183 -5.396 1.00 0.33 C ATOM 348 CG GLU A 23 21.819 -9.662 -4.973 1.00 0.41 C ATOM 349 CD GLU A 23 22.245 -9.857 -3.475 1.00 0.43 C ATOM 350 OE1 GLU A 23 22.903 -8.999 -2.888 1.00 1.40 O ATOM 351 OE2 GLU A 23 21.879 -10.916 -2.982 1.00 1.37 O ATOM 0 H GLU A 23 23.262 -8.686 -7.298 1.00 0.51 H new ATOM 0 HA GLU A 23 20.372 -8.715 -7.115 1.00 0.39 H new ATOM 0 HB2 GLU A 23 22.505 -7.607 -5.190 1.00 0.33 H new ATOM 0 HB3 GLU A 23 20.802 -7.744 -4.801 1.00 0.33 H new ATOM 0 HG2 GLU A 23 20.897 -10.215 -5.150 1.00 0.41 H new ATOM 0 HG3 GLU A 23 22.583 -10.102 -5.615 1.00 0.41 H new ATOM 358 N MET A 24 22.055 -5.909 -7.544 1.00 0.40 N ATOM 359 CA MET A 24 22.001 -4.473 -7.913 1.00 0.40 C ATOM 360 C MET A 24 21.229 -4.445 -9.221 1.00 0.27 C ATOM 361 O MET A 24 20.277 -3.718 -9.338 1.00 0.18 O ATOM 362 CB MET A 24 23.455 -4.018 -8.005 1.00 0.57 C ATOM 363 CG MET A 24 24.085 -4.174 -6.630 1.00 0.83 C ATOM 364 SD MET A 24 23.236 -3.110 -5.448 1.00 2.01 S ATOM 365 CE MET A 24 24.146 -1.593 -5.821 1.00 1.18 C ATOM 0 H MET A 24 22.999 -6.291 -7.479 1.00 0.40 H new ATOM 0 HA MET A 24 21.503 -3.798 -7.216 1.00 0.40 H new ATOM 0 HB2 MET A 24 23.995 -4.614 -8.741 1.00 0.57 H new ATOM 0 HB3 MET A 24 23.509 -2.980 -8.333 1.00 0.57 H new ATOM 0 HG2 MET A 24 24.024 -5.213 -6.307 1.00 0.83 H new ATOM 0 HG3 MET A 24 25.143 -3.915 -6.673 1.00 0.83 H new ATOM 0 HE1 MET A 24 23.880 -0.822 -5.098 1.00 1.18 H new ATOM 0 HE2 MET A 24 25.217 -1.788 -5.766 1.00 1.18 H new ATOM 0 HE3 MET A 24 23.891 -1.253 -6.825 1.00 1.18 H new ATOM 375 N LEU A 25 21.679 -5.227 -10.156 1.00 0.32 N ATOM 376 CA LEU A 25 21.075 -5.388 -11.495 1.00 0.25 C ATOM 377 C LEU A 25 19.569 -5.446 -11.291 1.00 0.09 C ATOM 378 O LEU A 25 18.859 -4.561 -11.732 1.00 0.10 O ATOM 379 CB LEU A 25 21.678 -6.674 -12.047 1.00 0.38 C ATOM 380 CG LEU A 25 22.832 -6.325 -12.939 1.00 0.43 C ATOM 381 CD1 LEU A 25 23.827 -7.408 -13.090 1.00 0.56 C ATOM 382 CD2 LEU A 25 22.256 -5.949 -14.309 1.00 0.42 C ATOM 0 H LEU A 25 22.510 -5.805 -10.027 1.00 0.32 H new ATOM 0 HA LEU A 25 21.269 -4.582 -12.202 1.00 0.25 H new ATOM 0 HB2 LEU A 25 22.013 -7.314 -11.231 1.00 0.38 H new ATOM 0 HB3 LEU A 25 20.927 -7.234 -12.604 1.00 0.38 H new ATOM 0 HG LEU A 25 23.374 -5.499 -12.479 1.00 0.43 H new ATOM 0 HD11 LEU A 25 24.629 -7.076 -13.750 1.00 0.56 H new ATOM 0 HD12 LEU A 25 24.241 -7.660 -12.114 1.00 0.56 H new ATOM 0 HD13 LEU A 25 23.346 -8.287 -13.518 1.00 0.56 H new ATOM 0 HD21 LEU A 25 23.069 -5.688 -14.986 1.00 0.42 H new ATOM 0 HD22 LEU A 25 21.702 -6.795 -14.716 1.00 0.42 H new ATOM 0 HD23 LEU A 25 21.586 -5.096 -14.200 1.00 0.42 H new ATOM 394 N PHE A 26 19.159 -6.490 -10.604 1.00 0.15 N ATOM 395 CA PHE A 26 17.707 -6.657 -10.338 1.00 0.12 C ATOM 396 C PHE A 26 17.117 -5.352 -9.813 1.00 0.11 C ATOM 397 O PHE A 26 16.196 -4.785 -10.360 1.00 0.20 O ATOM 398 CB PHE A 26 17.542 -7.743 -9.315 1.00 0.11 C ATOM 399 CG PHE A 26 16.056 -7.972 -9.057 1.00 0.15 C ATOM 400 CD1 PHE A 26 15.254 -7.017 -8.432 1.00 1.24 C ATOM 401 CD2 PHE A 26 15.507 -9.168 -9.466 1.00 0.90 C ATOM 402 CE1 PHE A 26 13.923 -7.296 -8.240 1.00 1.29 C ATOM 403 CE2 PHE A 26 14.176 -9.432 -9.265 1.00 0.86 C ATOM 404 CZ PHE A 26 13.394 -8.491 -8.650 1.00 0.33 C ATOM 0 H PHE A 26 19.763 -7.219 -10.225 1.00 0.15 H new ATOM 0 HA PHE A 26 17.185 -6.922 -11.257 1.00 0.12 H new ATOM 0 HB2 PHE A 26 18.008 -8.664 -9.667 1.00 0.11 H new ATOM 0 HB3 PHE A 26 18.045 -7.465 -8.389 1.00 0.11 H new ATOM 0 HD1 PHE A 26 15.672 -6.076 -8.105 1.00 1.24 H new ATOM 0 HD2 PHE A 26 16.131 -9.905 -9.950 1.00 0.90 H new ATOM 0 HE1 PHE A 26 13.287 -6.566 -7.761 1.00 1.29 H new ATOM 0 HE2 PHE A 26 13.750 -10.370 -9.588 1.00 0.86 H new ATOM 0 HZ PHE A 26 12.346 -8.694 -8.486 1.00 0.33 H new ATOM 414 N ILE A 27 17.677 -4.914 -8.725 1.00 0.12 N ATOM 415 CA ILE A 27 17.203 -3.654 -8.097 1.00 0.24 C ATOM 416 C ILE A 27 17.063 -2.526 -9.141 1.00 0.25 C ATOM 417 O ILE A 27 15.964 -2.039 -9.327 1.00 0.29 O ATOM 418 CB ILE A 27 18.207 -3.384 -6.993 1.00 0.29 C ATOM 419 CG1 ILE A 27 18.054 -4.548 -5.928 1.00 0.27 C ATOM 420 CG2 ILE A 27 17.832 -2.046 -6.396 1.00 0.40 C ATOM 421 CD1 ILE A 27 16.942 -4.267 -4.936 1.00 0.22 C ATOM 0 H ILE A 27 18.447 -5.376 -8.241 1.00 0.12 H new ATOM 0 HA ILE A 27 16.199 -3.722 -7.678 1.00 0.24 H new ATOM 0 HB ILE A 27 19.240 -3.356 -7.340 1.00 0.29 H new ATOM 0 HG12 ILE A 27 17.851 -5.487 -6.443 1.00 0.27 H new ATOM 0 HG13 ILE A 27 18.995 -4.675 -5.392 1.00 0.27 H new ATOM 0 HG21 ILE A 27 18.525 -1.799 -5.592 1.00 0.40 H new ATOM 0 HG22 ILE A 27 17.882 -1.277 -7.167 1.00 0.40 H new ATOM 0 HG23 ILE A 27 16.818 -2.096 -5.999 1.00 0.40 H new ATOM 0 HD11 ILE A 27 16.872 -5.090 -4.225 1.00 0.22 H new ATOM 0 HD12 ILE A 27 17.157 -3.342 -4.401 1.00 0.22 H new ATOM 0 HD13 ILE A 27 15.996 -4.167 -5.468 1.00 0.22 H new ATOM 433 N TYR A 28 18.119 -2.115 -9.801 1.00 0.22 N ATOM 434 CA TYR A 28 17.915 -1.021 -10.825 1.00 0.17 C ATOM 435 C TYR A 28 16.867 -1.463 -11.853 1.00 0.15 C ATOM 436 O TYR A 28 15.902 -0.743 -12.036 1.00 0.13 O ATOM 437 CB TYR A 28 19.224 -0.724 -11.543 1.00 0.33 C ATOM 438 CG TYR A 28 19.135 0.242 -12.736 1.00 0.23 C ATOM 439 CD1 TYR A 28 18.638 -0.173 -13.954 1.00 0.46 C ATOM 440 CD2 TYR A 28 19.565 1.551 -12.623 1.00 0.61 C ATOM 441 CE1 TYR A 28 18.572 0.700 -15.026 1.00 0.61 C ATOM 442 CE2 TYR A 28 19.492 2.400 -13.703 1.00 0.48 C ATOM 443 CZ TYR A 28 19.000 1.999 -14.897 1.00 0.29 C ATOM 444 OH TYR A 28 18.939 2.946 -15.900 1.00 0.34 O ATOM 0 H TYR A 28 19.071 -2.463 -9.691 1.00 0.22 H new ATOM 0 HA TYR A 28 17.572 -0.122 -10.313 1.00 0.17 H new ATOM 0 HB2 TYR A 28 19.927 -0.312 -10.819 1.00 0.33 H new ATOM 0 HB3 TYR A 28 19.644 -1.666 -11.895 1.00 0.33 H new ATOM 0 HD1 TYR A 28 18.296 -1.191 -14.072 1.00 0.46 H new ATOM 0 HD2 TYR A 28 19.960 1.908 -11.683 1.00 0.61 H new ATOM 0 HE1 TYR A 28 18.181 0.357 -15.972 1.00 0.61 H new ATOM 0 HE2 TYR A 28 19.838 3.417 -13.594 1.00 0.48 H new ATOM 0 HH TYR A 28 18.035 2.964 -16.278 1.00 0.34 H new ATOM 454 N SER A 29 17.054 -2.601 -12.480 1.00 0.23 N ATOM 455 CA SER A 29 16.024 -3.037 -13.495 1.00 0.26 C ATOM 456 C SER A 29 14.591 -2.888 -12.976 1.00 0.26 C ATOM 457 O SER A 29 13.811 -2.158 -13.567 1.00 0.26 O ATOM 458 CB SER A 29 16.310 -4.519 -13.937 1.00 0.31 C ATOM 459 OG SER A 29 16.730 -5.314 -12.830 1.00 0.57 O ATOM 0 H SER A 29 17.844 -3.232 -12.345 1.00 0.23 H new ATOM 0 HA SER A 29 16.109 -2.378 -14.359 1.00 0.26 H new ATOM 0 HB2 SER A 29 15.411 -4.950 -14.378 1.00 0.31 H new ATOM 0 HB3 SER A 29 17.080 -4.529 -14.709 1.00 0.31 H new ATOM 0 HG SER A 29 17.689 -5.182 -12.677 1.00 0.57 H new ATOM 465 N HIS A 30 14.271 -3.541 -11.898 1.00 0.25 N ATOM 466 CA HIS A 30 12.909 -3.444 -11.330 1.00 0.23 C ATOM 467 C HIS A 30 12.575 -1.990 -10.919 1.00 0.19 C ATOM 468 O HIS A 30 11.542 -1.483 -11.310 1.00 0.20 O ATOM 469 CB HIS A 30 12.948 -4.457 -10.213 1.00 0.23 C ATOM 470 CG HIS A 30 12.853 -5.827 -10.884 1.00 0.31 C ATOM 471 ND1 HIS A 30 11.741 -6.434 -11.103 1.00 0.68 N ATOM 472 CD2 HIS A 30 13.814 -6.681 -11.395 1.00 1.13 C ATOM 473 CE1 HIS A 30 11.962 -7.565 -11.697 1.00 0.42 C ATOM 474 NE2 HIS A 30 13.243 -7.757 -11.899 1.00 0.83 N ATOM 0 H HIS A 30 14.908 -4.147 -11.381 1.00 0.25 H new ATOM 0 HA HIS A 30 12.097 -3.669 -12.021 1.00 0.23 H new ATOM 0 HB2 HIS A 30 13.869 -4.368 -9.637 1.00 0.23 H new ATOM 0 HB3 HIS A 30 12.122 -4.304 -9.519 1.00 0.23 H new ATOM 0 HD2 HIS A 30 14.878 -6.493 -11.383 1.00 1.13 H new ATOM 0 HE1 HIS A 30 11.189 -8.261 -11.988 1.00 0.42 H new ATOM 0 HE2 HIS A 30 13.694 -8.556 -12.344 1.00 0.83 H new ATOM 482 N TYR A 31 13.416 -1.342 -10.161 1.00 0.14 N ATOM 483 CA TYR A 31 13.170 0.072 -9.727 1.00 0.07 C ATOM 484 C TYR A 31 12.790 0.981 -10.919 1.00 0.08 C ATOM 485 O TYR A 31 11.755 1.615 -10.946 1.00 0.12 O ATOM 486 CB TYR A 31 14.444 0.589 -9.105 1.00 0.04 C ATOM 487 CG TYR A 31 14.298 2.038 -8.698 1.00 0.05 C ATOM 488 CD1 TYR A 31 13.466 2.440 -7.686 1.00 1.12 C ATOM 489 CD2 TYR A 31 15.024 2.965 -9.380 1.00 1.01 C ATOM 490 CE1 TYR A 31 13.371 3.781 -7.377 1.00 1.16 C ATOM 491 CE2 TYR A 31 14.929 4.295 -9.068 1.00 0.96 C ATOM 492 CZ TYR A 31 14.102 4.713 -8.064 1.00 0.15 C ATOM 493 OH TYR A 31 14.014 6.050 -7.751 1.00 0.22 O ATOM 0 H TYR A 31 14.288 -1.741 -9.813 1.00 0.14 H new ATOM 0 HA TYR A 31 12.339 0.086 -9.021 1.00 0.07 H new ATOM 0 HB2 TYR A 31 14.698 -0.014 -8.233 1.00 0.04 H new ATOM 0 HB3 TYR A 31 15.266 0.487 -9.813 1.00 0.04 H new ATOM 0 HD1 TYR A 31 12.889 1.712 -7.135 1.00 1.12 H new ATOM 0 HD2 TYR A 31 15.682 2.649 -10.176 1.00 1.01 H new ATOM 0 HE1 TYR A 31 12.712 4.100 -6.583 1.00 1.16 H new ATOM 0 HE2 TYR A 31 15.512 5.018 -9.619 1.00 0.96 H new ATOM 0 HH TYR A 31 14.604 6.564 -8.341 1.00 0.22 H new ATOM 503 N LYS A 32 13.692 0.994 -11.867 1.00 0.06 N ATOM 504 CA LYS A 32 13.545 1.797 -13.107 1.00 0.05 C ATOM 505 C LYS A 32 12.244 1.406 -13.800 1.00 0.13 C ATOM 506 O LYS A 32 11.481 2.306 -14.076 1.00 0.18 O ATOM 507 CB LYS A 32 14.839 1.521 -13.856 1.00 0.10 C ATOM 508 CG LYS A 32 16.043 2.072 -12.938 1.00 0.22 C ATOM 509 CD LYS A 32 15.901 3.591 -12.528 1.00 0.62 C ATOM 510 CE LYS A 32 16.294 4.507 -13.659 1.00 0.46 C ATOM 511 NZ LYS A 32 17.786 4.487 -13.698 1.00 0.73 N ATOM 0 H LYS A 32 14.558 0.456 -11.824 1.00 0.06 H new ATOM 0 HA LYS A 32 13.438 2.875 -12.984 1.00 0.05 H new ATOM 0 HB2 LYS A 32 14.955 0.454 -14.044 1.00 0.10 H new ATOM 0 HB3 LYS A 32 14.836 2.017 -14.826 1.00 0.10 H new ATOM 0 HG2 LYS A 32 16.101 1.467 -12.033 1.00 0.22 H new ATOM 0 HG3 LYS A 32 16.983 1.938 -13.473 1.00 0.22 H new ATOM 0 HD2 LYS A 32 14.871 3.795 -12.234 1.00 0.62 H new ATOM 0 HD3 LYS A 32 16.527 3.795 -11.659 1.00 0.62 H new ATOM 0 HE2 LYS A 32 15.873 4.164 -14.604 1.00 0.46 H new ATOM 0 HE3 LYS A 32 15.921 5.517 -13.492 1.00 0.46 H new ATOM 0 HZ1 LYS A 32 18.143 5.456 -13.819 1.00 0.73 H new ATOM 0 HZ2 LYS A 32 18.151 4.092 -12.808 1.00 0.73 H new ATOM 0 HZ3 LYS A 32 18.105 3.899 -14.494 1.00 0.73 H new ATOM 525 N GLN A 33 11.960 0.169 -14.119 1.00 0.13 N ATOM 526 CA GLN A 33 10.605 -0.054 -14.764 1.00 0.08 C ATOM 527 C GLN A 33 9.482 0.445 -13.821 1.00 0.14 C ATOM 528 O GLN A 33 8.638 1.213 -14.253 1.00 0.12 O ATOM 529 CB GLN A 33 10.393 -1.554 -15.102 1.00 0.15 C ATOM 530 CG GLN A 33 9.866 -1.774 -16.600 1.00 0.61 C ATOM 531 CD GLN A 33 8.350 -1.381 -16.682 1.00 0.82 C ATOM 532 OE1 GLN A 33 7.628 -1.500 -15.714 1.00 1.36 O ATOM 533 NE2 GLN A 33 7.763 -0.928 -17.745 1.00 1.51 N ATOM 0 H GLN A 33 12.550 -0.651 -13.980 1.00 0.13 H new ATOM 0 HA GLN A 33 10.569 0.513 -15.694 1.00 0.08 H new ATOM 0 HB2 GLN A 33 11.332 -2.090 -14.968 1.00 0.15 H new ATOM 0 HB3 GLN A 33 9.678 -1.984 -14.401 1.00 0.15 H new ATOM 0 HG2 GLN A 33 10.448 -1.168 -17.295 1.00 0.61 H new ATOM 0 HG3 GLN A 33 10.000 -2.815 -16.895 1.00 0.61 H new ATOM 0 HE21 GLN A 33 8.296 -0.797 -18.605 1.00 1.51 H new ATOM 0 HE22 GLN A 33 6.768 -0.703 -17.722 1.00 1.51 H new ATOM 542 N ALA A 34 9.506 0.020 -12.577 1.00 0.26 N ATOM 543 CA ALA A 34 8.466 0.437 -11.581 1.00 0.33 C ATOM 544 C ALA A 34 8.178 1.943 -11.538 1.00 0.37 C ATOM 545 O ALA A 34 7.043 2.381 -11.570 1.00 0.45 O ATOM 546 CB ALA A 34 8.935 -0.060 -10.230 1.00 0.37 C ATOM 0 H ALA A 34 10.217 -0.610 -12.205 1.00 0.26 H new ATOM 0 HA ALA A 34 7.514 -0.001 -11.880 1.00 0.33 H new ATOM 0 HB1 ALA A 34 8.208 0.220 -9.467 1.00 0.37 H new ATOM 0 HB2 ALA A 34 9.034 -1.145 -10.256 1.00 0.37 H new ATOM 0 HB3 ALA A 34 9.900 0.387 -9.993 1.00 0.37 H new ATOM 552 N THR A 35 9.231 2.705 -11.468 1.00 0.33 N ATOM 553 CA THR A 35 9.156 4.213 -11.420 1.00 0.39 C ATOM 554 C THR A 35 9.120 4.789 -12.828 1.00 0.40 C ATOM 555 O THR A 35 8.221 5.545 -13.142 1.00 0.46 O ATOM 556 CB THR A 35 10.381 4.785 -10.699 1.00 0.37 C ATOM 557 OG1 THR A 35 11.465 4.250 -11.434 1.00 0.29 O ATOM 558 CG2 THR A 35 10.529 4.145 -9.379 1.00 0.35 C ATOM 0 H THR A 35 10.183 2.341 -11.440 1.00 0.33 H new ATOM 0 HA THR A 35 8.247 4.484 -10.884 1.00 0.39 H new ATOM 0 HB THR A 35 10.320 5.870 -10.612 1.00 0.37 H new ATOM 0 HG1 THR A 35 11.746 3.402 -11.032 1.00 0.29 H new ATOM 0 HG21 THR A 35 11.402 4.556 -8.871 1.00 0.35 H new ATOM 0 HG22 THR A 35 9.638 4.335 -8.781 1.00 0.35 H new ATOM 0 HG23 THR A 35 10.657 3.070 -9.508 1.00 0.35 H new ATOM 566 N VAL A 36 10.040 4.430 -13.677 1.00 0.34 N ATOM 567 CA VAL A 36 10.039 4.983 -15.072 1.00 0.36 C ATOM 568 C VAL A 36 9.015 4.284 -15.982 1.00 0.37 C ATOM 569 O VAL A 36 7.971 4.819 -16.304 1.00 0.48 O ATOM 570 CB VAL A 36 11.464 4.815 -15.724 1.00 0.32 C ATOM 571 CG1 VAL A 36 11.503 5.629 -17.044 1.00 0.36 C ATOM 572 CG2 VAL A 36 12.604 5.210 -14.813 1.00 0.32 C ATOM 0 H VAL A 36 10.796 3.777 -13.471 1.00 0.34 H new ATOM 0 HA VAL A 36 9.768 6.035 -14.986 1.00 0.36 H new ATOM 0 HB VAL A 36 11.613 3.753 -15.921 1.00 0.32 H new ATOM 0 HG11 VAL A 36 12.484 5.523 -17.508 1.00 0.36 H new ATOM 0 HG12 VAL A 36 10.737 5.256 -17.724 1.00 0.36 H new ATOM 0 HG13 VAL A 36 11.315 6.681 -16.828 1.00 0.36 H new ATOM 0 HG21 VAL A 36 13.551 5.066 -15.333 1.00 0.32 H new ATOM 0 HG22 VAL A 36 12.499 6.258 -14.532 1.00 0.32 H new ATOM 0 HG23 VAL A 36 12.585 4.591 -13.916 1.00 0.32 H new ATOM 582 N GLY A 37 9.361 3.079 -16.310 1.00 0.29 N ATOM 583 CA GLY A 37 8.561 2.162 -17.213 1.00 0.28 C ATOM 584 C GLY A 37 9.509 1.776 -18.363 1.00 0.27 C ATOM 585 O GLY A 37 10.355 0.930 -18.138 1.00 0.25 O ATOM 0 H GLY A 37 10.223 2.650 -15.973 1.00 0.29 H new ATOM 0 HA2 GLY A 37 8.222 1.278 -16.672 1.00 0.28 H new ATOM 0 HA3 GLY A 37 7.671 2.665 -17.592 1.00 0.28 H new ATOM 589 N ASP A 38 9.369 2.362 -19.530 1.00 0.32 N ATOM 590 CA ASP A 38 10.302 2.000 -20.649 1.00 0.29 C ATOM 591 C ASP A 38 11.620 2.734 -20.382 1.00 0.35 C ATOM 592 O ASP A 38 11.676 3.586 -19.520 1.00 0.71 O ATOM 593 CB ASP A 38 9.823 2.501 -22.017 1.00 0.16 C ATOM 594 CG ASP A 38 8.553 1.874 -22.494 1.00 0.35 C ATOM 595 OD1 ASP A 38 7.538 2.342 -22.025 1.00 1.22 O ATOM 596 OD2 ASP A 38 8.717 0.978 -23.300 1.00 1.11 O ATOM 0 H ASP A 38 8.663 3.063 -19.755 1.00 0.32 H new ATOM 0 HA ASP A 38 10.378 0.913 -20.678 1.00 0.29 H new ATOM 0 HB2 ASP A 38 9.684 3.581 -21.967 1.00 0.16 H new ATOM 0 HB3 ASP A 38 10.605 2.314 -22.753 1.00 0.16 H new ATOM 601 N ILE A 39 12.624 2.402 -21.141 1.00 0.27 N ATOM 602 CA ILE A 39 13.953 3.059 -20.949 1.00 0.38 C ATOM 603 C ILE A 39 14.284 4.159 -21.996 1.00 0.58 C ATOM 604 O ILE A 39 14.345 3.954 -23.193 1.00 0.67 O ATOM 605 CB ILE A 39 14.943 1.875 -20.927 1.00 0.34 C ATOM 606 CG1 ILE A 39 16.383 2.335 -20.720 1.00 0.41 C ATOM 607 CG2 ILE A 39 14.815 1.049 -22.212 1.00 0.38 C ATOM 608 CD1 ILE A 39 17.209 1.099 -20.333 1.00 0.37 C ATOM 0 H ILE A 39 12.586 1.706 -21.886 1.00 0.27 H new ATOM 0 HA ILE A 39 13.993 3.642 -20.029 1.00 0.38 H new ATOM 0 HB ILE A 39 14.683 1.246 -20.076 1.00 0.34 H new ATOM 0 HG12 ILE A 39 16.775 2.789 -21.630 1.00 0.41 H new ATOM 0 HG13 ILE A 39 16.435 3.092 -19.938 1.00 0.41 H new ATOM 0 HG21 ILE A 39 15.519 0.218 -22.182 1.00 0.38 H new ATOM 0 HG22 ILE A 39 13.800 0.661 -22.296 1.00 0.38 H new ATOM 0 HG23 ILE A 39 15.035 1.680 -23.073 1.00 0.38 H new ATOM 0 HD11 ILE A 39 18.248 1.390 -20.176 1.00 0.37 H new ATOM 0 HD12 ILE A 39 16.810 0.668 -19.415 1.00 0.37 H new ATOM 0 HD13 ILE A 39 17.156 0.361 -21.133 1.00 0.37 H new ATOM 620 N ASN A 40 14.491 5.327 -21.444 1.00 0.78 N ATOM 621 CA ASN A 40 14.828 6.601 -22.181 1.00 1.05 C ATOM 622 C ASN A 40 16.197 7.155 -21.702 1.00 1.11 C ATOM 623 O ASN A 40 16.432 8.349 -21.629 1.00 1.32 O ATOM 624 CB ASN A 40 13.678 7.601 -21.886 1.00 1.19 C ATOM 625 CG ASN A 40 13.322 7.556 -20.391 1.00 1.16 C ATOM 626 OD1 ASN A 40 14.121 7.284 -19.520 1.00 1.51 O ATOM 627 ND2 ASN A 40 12.122 7.810 -19.995 1.00 1.33 N ATOM 0 H ASN A 40 14.437 5.463 -20.435 1.00 0.78 H new ATOM 0 HA ASN A 40 14.917 6.430 -23.254 1.00 1.05 H new ATOM 0 HB2 ASN A 40 13.979 8.610 -22.168 1.00 1.19 H new ATOM 0 HB3 ASN A 40 12.803 7.351 -22.486 1.00 1.19 H new ATOM 0 HD21 ASN A 40 11.895 7.775 -19.001 1.00 1.33 H new ATOM 0 HD22 ASN A 40 11.400 8.046 -20.675 1.00 1.33 H new ATOM 634 N THR A 41 17.068 6.235 -21.403 1.00 0.94 N ATOM 635 CA THR A 41 18.445 6.589 -20.906 1.00 1.00 C ATOM 636 C THR A 41 19.558 5.950 -21.762 1.00 1.02 C ATOM 637 O THR A 41 19.244 5.199 -22.664 1.00 0.99 O ATOM 638 CB THR A 41 18.526 6.113 -19.425 1.00 0.96 C ATOM 639 OG1 THR A 41 18.553 4.698 -19.501 1.00 0.85 O ATOM 640 CG2 THR A 41 17.169 6.264 -18.686 1.00 0.89 C ATOM 0 H THR A 41 16.890 5.234 -21.480 1.00 0.94 H new ATOM 0 HA THR A 41 18.604 7.665 -20.980 1.00 1.00 H new ATOM 0 HB THR A 41 19.345 6.651 -18.948 1.00 0.96 H new ATOM 0 HG1 THR A 41 19.483 4.390 -19.542 1.00 0.85 H new ATOM 0 HG21 THR A 41 17.275 5.920 -17.657 1.00 0.89 H new ATOM 0 HG22 THR A 41 16.868 7.312 -18.689 1.00 0.89 H new ATOM 0 HG23 THR A 41 16.411 5.667 -19.192 1.00 0.89 H new ATOM 798 N GLY A 51 26.452 0.863 -15.307 1.00 0.62 N ATOM 799 CA GLY A 51 25.537 1.654 -16.183 1.00 0.79 C ATOM 800 C GLY A 51 24.841 0.758 -17.175 1.00 0.65 C ATOM 801 O GLY A 51 23.634 0.751 -17.302 1.00 0.59 O ATOM 0 HA2 GLY A 51 24.798 2.171 -15.572 1.00 0.79 H new ATOM 0 HA3 GLY A 51 26.104 2.419 -16.713 1.00 0.79 H new ATOM 805 N LYS A 52 25.666 0.016 -17.857 1.00 0.64 N ATOM 806 CA LYS A 52 25.115 -0.917 -18.864 1.00 0.51 C ATOM 807 C LYS A 52 24.263 -1.904 -18.111 1.00 0.41 C ATOM 808 O LYS A 52 23.082 -1.872 -18.333 1.00 0.37 O ATOM 809 CB LYS A 52 26.245 -1.651 -19.597 1.00 0.61 C ATOM 810 CG LYS A 52 26.835 -0.691 -20.638 1.00 1.03 C ATOM 811 CD LYS A 52 28.305 -0.351 -20.354 1.00 1.45 C ATOM 812 CE LYS A 52 28.802 0.391 -21.598 1.00 2.63 C ATOM 813 NZ LYS A 52 30.245 0.755 -21.479 1.00 3.05 N ATOM 0 H LYS A 52 26.681 0.017 -17.761 1.00 0.64 H new ATOM 0 HA LYS A 52 24.535 -0.380 -19.614 1.00 0.51 H new ATOM 0 HB2 LYS A 52 27.014 -1.968 -18.892 1.00 0.61 H new ATOM 0 HB3 LYS A 52 25.865 -2.551 -20.080 1.00 0.61 H new ATOM 0 HG2 LYS A 52 26.753 -1.139 -21.628 1.00 1.03 H new ATOM 0 HG3 LYS A 52 26.249 0.228 -20.654 1.00 1.03 H new ATOM 0 HD2 LYS A 52 28.399 0.270 -19.463 1.00 1.45 H new ATOM 0 HD3 LYS A 52 28.889 -1.254 -20.176 1.00 1.45 H new ATOM 0 HE2 LYS A 52 28.655 -0.234 -22.479 1.00 2.63 H new ATOM 0 HE3 LYS A 52 28.209 1.294 -21.745 1.00 2.63 H new ATOM 0 HZ1 LYS A 52 30.549 1.256 -22.338 1.00 3.05 H new ATOM 0 HZ2 LYS A 52 30.380 1.372 -20.653 1.00 3.05 H new ATOM 0 HZ3 LYS A 52 30.813 -0.109 -21.363 1.00 3.05 H new ATOM 827 N ALA A 53 24.831 -2.740 -17.281 1.00 0.36 N ATOM 828 CA ALA A 53 24.059 -3.744 -16.478 1.00 0.31 C ATOM 829 C ALA A 53 22.679 -3.194 -16.149 1.00 0.31 C ATOM 830 O ALA A 53 21.676 -3.792 -16.463 1.00 0.32 O ATOM 831 CB ALA A 53 24.902 -4.049 -15.217 1.00 0.21 C ATOM 0 H ALA A 53 25.838 -2.771 -17.119 1.00 0.36 H new ATOM 0 HA ALA A 53 23.890 -4.670 -17.028 1.00 0.31 H new ATOM 0 HB1 ALA A 53 24.380 -4.778 -14.598 1.00 0.21 H new ATOM 0 HB2 ALA A 53 25.870 -4.453 -15.515 1.00 0.21 H new ATOM 0 HB3 ALA A 53 25.052 -3.131 -14.649 1.00 0.21 H new ATOM 837 N LYS A 54 22.695 -2.053 -15.539 1.00 0.31 N ATOM 838 CA LYS A 54 21.434 -1.371 -15.153 1.00 0.35 C ATOM 839 C LYS A 54 20.486 -1.286 -16.362 1.00 0.27 C ATOM 840 O LYS A 54 19.391 -1.814 -16.408 1.00 0.20 O ATOM 841 CB LYS A 54 21.816 -0.024 -14.727 1.00 0.41 C ATOM 842 CG LYS A 54 22.720 -0.196 -13.579 1.00 1.19 C ATOM 843 CD LYS A 54 23.647 0.914 -13.543 1.00 0.50 C ATOM 844 CE LYS A 54 23.010 2.216 -13.264 1.00 0.77 C ATOM 845 NZ LYS A 54 24.115 3.191 -13.301 1.00 1.28 N ATOM 0 H LYS A 54 23.545 -1.551 -15.285 1.00 0.31 H new ATOM 0 HA LYS A 54 20.916 -1.912 -14.362 1.00 0.35 H new ATOM 0 HB2 LYS A 54 22.312 0.514 -15.535 1.00 0.41 H new ATOM 0 HB3 LYS A 54 20.939 0.559 -14.447 1.00 0.41 H new ATOM 0 HG2 LYS A 54 22.148 -0.240 -12.652 1.00 1.19 H new ATOM 0 HG3 LYS A 54 23.262 -1.138 -13.664 1.00 1.19 H new ATOM 0 HD2 LYS A 54 24.402 0.719 -12.782 1.00 0.50 H new ATOM 0 HD3 LYS A 54 24.166 0.972 -14.500 1.00 0.50 H new ATOM 0 HE2 LYS A 54 22.249 2.452 -14.008 1.00 0.77 H new ATOM 0 HE3 LYS A 54 22.516 2.215 -12.292 1.00 0.77 H new ATOM 0 HZ1 LYS A 54 24.006 3.869 -12.520 1.00 1.28 H new ATOM 0 HZ2 LYS A 54 25.022 2.692 -13.202 1.00 1.28 H new ATOM 0 HZ3 LYS A 54 24.098 3.701 -14.207 1.00 1.28 H new ATOM 859 N TRP A 55 21.014 -0.582 -17.331 1.00 0.34 N ATOM 860 CA TRP A 55 20.326 -0.323 -18.613 1.00 0.34 C ATOM 861 C TRP A 55 19.893 -1.672 -19.167 1.00 0.25 C ATOM 862 O TRP A 55 18.719 -1.945 -19.215 1.00 0.19 O ATOM 863 CB TRP A 55 21.362 0.415 -19.435 1.00 0.53 C ATOM 864 CG TRP A 55 20.687 1.343 -20.414 1.00 0.60 C ATOM 865 CD1 TRP A 55 20.255 2.579 -20.074 1.00 0.64 C ATOM 866 CD2 TRP A 55 20.434 1.110 -21.712 1.00 0.65 C ATOM 867 NE1 TRP A 55 19.764 3.024 -21.208 1.00 0.68 N ATOM 868 CE2 TRP A 55 19.827 2.219 -22.247 1.00 0.69 C ATOM 869 CE3 TRP A 55 20.684 0.006 -22.497 1.00 0.68 C ATOM 870 CZ2 TRP A 55 19.472 2.247 -23.565 1.00 0.76 C ATOM 871 CZ3 TRP A 55 20.327 0.024 -23.827 1.00 0.77 C ATOM 872 CH2 TRP A 55 19.723 1.151 -24.357 1.00 0.80 C ATOM 0 H TRP A 55 21.941 -0.160 -17.272 1.00 0.34 H new ATOM 0 HA TRP A 55 19.419 0.280 -18.572 1.00 0.34 H new ATOM 0 HB2 TRP A 55 22.020 0.984 -18.778 1.00 0.53 H new ATOM 0 HB3 TRP A 55 21.987 -0.299 -19.971 1.00 0.53 H new ATOM 0 HD1 TRP A 55 20.302 3.074 -19.115 1.00 0.64 H new ATOM 0 HE1 TRP A 55 19.351 3.954 -21.280 1.00 0.68 H new ATOM 0 HE3 TRP A 55 21.157 -0.867 -22.073 1.00 0.68 H new ATOM 0 HZ2 TRP A 55 18.998 3.123 -23.982 1.00 0.76 H new ATOM 0 HZ3 TRP A 55 20.517 -0.836 -24.452 1.00 0.77 H new ATOM 0 HH2 TRP A 55 19.447 1.170 -25.401 1.00 0.80 H new ATOM 883 N ASP A 56 20.844 -2.464 -19.553 1.00 0.32 N ATOM 884 CA ASP A 56 20.614 -3.817 -20.106 1.00 0.33 C ATOM 885 C ASP A 56 19.472 -4.492 -19.330 1.00 0.31 C ATOM 886 O ASP A 56 18.429 -4.778 -19.883 1.00 0.35 O ATOM 887 CB ASP A 56 22.028 -4.447 -19.981 1.00 0.33 C ATOM 888 CG ASP A 56 22.700 -4.273 -21.295 1.00 0.54 C ATOM 889 OD1 ASP A 56 23.255 -3.212 -21.433 1.00 1.78 O ATOM 890 OD2 ASP A 56 22.642 -5.159 -22.119 1.00 0.79 O ATOM 0 H ASP A 56 21.830 -2.209 -19.503 1.00 0.32 H new ATOM 0 HA ASP A 56 20.267 -3.892 -21.137 1.00 0.33 H new ATOM 0 HB2 ASP A 56 22.598 -3.961 -19.189 1.00 0.33 H new ATOM 0 HB3 ASP A 56 21.958 -5.503 -19.721 1.00 0.33 H new ATOM 895 N ALA A 57 19.723 -4.701 -18.070 1.00 0.28 N ATOM 896 CA ALA A 57 18.776 -5.329 -17.111 1.00 0.27 C ATOM 897 C ALA A 57 17.374 -4.686 -17.115 1.00 0.21 C ATOM 898 O ALA A 57 16.368 -5.352 -17.028 1.00 0.26 O ATOM 899 CB ALA A 57 19.444 -5.228 -15.740 1.00 0.34 C ATOM 0 H ALA A 57 20.611 -4.442 -17.640 1.00 0.28 H new ATOM 0 HA ALA A 57 18.587 -6.364 -17.396 1.00 0.27 H new ATOM 0 HB1 ALA A 57 18.796 -5.674 -14.986 1.00 0.34 H new ATOM 0 HB2 ALA A 57 20.396 -5.758 -15.759 1.00 0.34 H new ATOM 0 HB3 ALA A 57 19.617 -4.180 -15.496 1.00 0.34 H new ATOM 905 N TRP A 58 17.306 -3.389 -17.212 1.00 0.17 N ATOM 906 CA TRP A 58 15.962 -2.695 -17.220 1.00 0.09 C ATOM 907 C TRP A 58 15.323 -2.778 -18.624 1.00 0.12 C ATOM 908 O TRP A 58 14.171 -3.107 -18.823 1.00 0.06 O ATOM 909 CB TRP A 58 16.195 -1.237 -16.793 1.00 0.16 C ATOM 910 CG TRP A 58 14.953 -0.377 -17.023 1.00 0.15 C ATOM 911 CD1 TRP A 58 13.664 -0.821 -17.140 1.00 0.09 C ATOM 912 CD2 TRP A 58 14.993 0.961 -17.156 1.00 0.21 C ATOM 913 NE1 TRP A 58 13.005 0.313 -17.349 1.00 0.14 N ATOM 914 CE2 TRP A 58 13.725 1.418 -17.366 1.00 0.20 C ATOM 915 CE3 TRP A 58 16.037 1.868 -17.102 1.00 0.30 C ATOM 916 CZ2 TRP A 58 13.495 2.758 -17.519 1.00 0.25 C ATOM 917 CZ3 TRP A 58 15.802 3.216 -17.254 1.00 0.36 C ATOM 918 CH2 TRP A 58 14.531 3.665 -17.465 1.00 0.33 C ATOM 0 H TRP A 58 18.113 -2.770 -17.287 1.00 0.17 H new ATOM 0 HA TRP A 58 15.270 -3.177 -16.529 1.00 0.09 H new ATOM 0 HB2 TRP A 58 16.469 -1.206 -15.739 1.00 0.16 H new ATOM 0 HB3 TRP A 58 17.033 -0.823 -17.353 1.00 0.16 H new ATOM 0 HD1 TRP A 58 13.282 -1.829 -17.078 1.00 0.09 H new ATOM 0 HE1 TRP A 58 11.995 0.329 -17.489 1.00 0.14 H new ATOM 0 HE3 TRP A 58 17.045 1.515 -16.939 1.00 0.30 H new ATOM 0 HZ2 TRP A 58 12.487 3.110 -17.684 1.00 0.25 H new ATOM 0 HZ3 TRP A 58 16.622 3.917 -17.206 1.00 0.36 H new ATOM 0 HH2 TRP A 58 14.339 4.721 -17.588 1.00 0.33 H new ATOM 929 N ASN A 59 16.117 -2.457 -19.586 1.00 0.22 N ATOM 930 CA ASN A 59 15.742 -2.464 -21.016 1.00 0.29 C ATOM 931 C ASN A 59 14.954 -3.753 -21.354 1.00 0.26 C ATOM 932 O ASN A 59 14.173 -3.777 -22.288 1.00 0.31 O ATOM 933 CB ASN A 59 17.077 -2.346 -21.694 1.00 0.35 C ATOM 934 CG ASN A 59 16.975 -2.220 -23.172 1.00 0.36 C ATOM 935 OD1 ASN A 59 16.335 -1.373 -23.750 1.00 0.58 O ATOM 936 ND2 ASN A 59 17.642 -3.089 -23.828 1.00 0.40 N ATOM 0 H ASN A 59 17.082 -2.169 -19.427 1.00 0.22 H new ATOM 0 HA ASN A 59 15.069 -1.667 -21.332 1.00 0.29 H new ATOM 0 HB2 ASN A 59 17.603 -1.478 -21.297 1.00 0.35 H new ATOM 0 HB3 ASN A 59 17.679 -3.222 -21.451 1.00 0.35 H new ATOM 0 HD21 ASN A 59 17.638 -3.072 -24.848 1.00 0.40 H new ATOM 0 HD22 ASN A 59 18.179 -3.800 -23.332 1.00 0.40 H new ATOM 943 N GLU A 60 15.227 -4.740 -20.525 1.00 0.25 N ATOM 944 CA GLU A 60 14.634 -6.113 -20.601 1.00 0.26 C ATOM 945 C GLU A 60 13.159 -6.114 -20.161 1.00 0.21 C ATOM 946 O GLU A 60 12.305 -6.760 -20.732 1.00 0.23 O ATOM 947 CB GLU A 60 15.555 -6.984 -19.704 1.00 0.42 C ATOM 948 CG GLU A 60 15.107 -8.479 -19.557 1.00 0.52 C ATOM 949 CD GLU A 60 14.761 -8.880 -18.102 1.00 1.82 C ATOM 950 OE1 GLU A 60 15.464 -8.444 -17.202 1.00 2.29 O ATOM 951 OE2 GLU A 60 13.801 -9.625 -17.988 1.00 2.51 O ATOM 0 H GLU A 60 15.882 -4.634 -19.750 1.00 0.25 H new ATOM 0 HA GLU A 60 14.600 -6.508 -21.616 1.00 0.26 H new ATOM 0 HB2 GLU A 60 16.565 -6.961 -20.114 1.00 0.42 H new ATOM 0 HB3 GLU A 60 15.603 -6.535 -18.712 1.00 0.42 H new ATOM 0 HG2 GLU A 60 14.237 -8.653 -20.190 1.00 0.52 H new ATOM 0 HG3 GLU A 60 15.903 -9.126 -19.924 1.00 0.52 H new ATOM 958 N LEU A 61 12.935 -5.357 -19.132 1.00 0.17 N ATOM 959 CA LEU A 61 11.611 -5.138 -18.465 1.00 0.18 C ATOM 960 C LEU A 61 10.785 -4.051 -19.142 1.00 0.19 C ATOM 961 O LEU A 61 9.580 -4.003 -19.018 1.00 0.23 O ATOM 962 CB LEU A 61 11.812 -4.676 -17.061 1.00 0.20 C ATOM 963 CG LEU A 61 12.929 -5.385 -16.366 1.00 0.19 C ATOM 964 CD1 LEU A 61 12.994 -4.718 -15.042 1.00 0.17 C ATOM 965 CD2 LEU A 61 12.711 -6.869 -16.327 1.00 0.33 C ATOM 0 H LEU A 61 13.685 -4.831 -18.683 1.00 0.17 H new ATOM 0 HA LEU A 61 11.092 -6.095 -18.522 1.00 0.18 H new ATOM 0 HB2 LEU A 61 12.014 -3.605 -17.062 1.00 0.20 H new ATOM 0 HB3 LEU A 61 10.890 -4.825 -16.500 1.00 0.20 H new ATOM 0 HG LEU A 61 13.888 -5.311 -16.878 1.00 0.19 H new ATOM 0 HD11 LEU A 61 13.789 -5.167 -14.447 1.00 0.17 H new ATOM 0 HD12 LEU A 61 13.199 -3.656 -15.179 1.00 0.17 H new ATOM 0 HD13 LEU A 61 12.042 -4.840 -14.526 1.00 0.17 H new ATOM 0 HD21 LEU A 61 13.546 -7.346 -15.813 1.00 0.33 H new ATOM 0 HD22 LEU A 61 11.785 -7.087 -15.795 1.00 0.33 H new ATOM 0 HD23 LEU A 61 12.644 -7.254 -17.345 1.00 0.33 H new ATOM 977 N LYS A 62 11.474 -3.192 -19.820 1.00 0.16 N ATOM 978 CA LYS A 62 10.857 -2.048 -20.556 1.00 0.19 C ATOM 979 C LYS A 62 9.321 -2.098 -20.718 1.00 0.45 C ATOM 980 O LYS A 62 8.633 -1.215 -20.256 1.00 1.32 O ATOM 981 CB LYS A 62 11.604 -2.000 -21.920 1.00 0.16 C ATOM 982 CG LYS A 62 10.856 -1.011 -22.829 1.00 0.37 C ATOM 983 CD LYS A 62 11.593 -0.841 -24.177 1.00 0.23 C ATOM 984 CE LYS A 62 10.883 0.221 -25.057 1.00 0.80 C ATOM 985 NZ LYS A 62 11.712 0.381 -26.295 1.00 1.32 N ATOM 0 H LYS A 62 12.490 -3.232 -19.902 1.00 0.16 H new ATOM 0 HA LYS A 62 10.977 -1.134 -19.974 1.00 0.19 H new ATOM 0 HB2 LYS A 62 12.637 -1.683 -21.779 1.00 0.16 H new ATOM 0 HB3 LYS A 62 11.633 -2.990 -22.375 1.00 0.16 H new ATOM 0 HG2 LYS A 62 9.842 -1.368 -23.006 1.00 0.37 H new ATOM 0 HG3 LYS A 62 10.771 -0.045 -22.331 1.00 0.37 H new ATOM 0 HD2 LYS A 62 12.626 -0.541 -23.998 1.00 0.23 H new ATOM 0 HD3 LYS A 62 11.625 -1.795 -24.703 1.00 0.23 H new ATOM 0 HE2 LYS A 62 9.871 -0.098 -25.308 1.00 0.80 H new ATOM 0 HE3 LYS A 62 10.796 1.168 -24.525 1.00 0.80 H new ATOM 0 HZ1 LYS A 62 11.272 1.087 -26.919 1.00 1.32 H new ATOM 0 HZ2 LYS A 62 12.668 0.697 -26.034 1.00 1.32 H new ATOM 0 HZ3 LYS A 62 11.772 -0.530 -26.793 1.00 1.32 H new ATOM 999 N GLY A 63 8.851 -3.140 -21.335 1.00 0.58 N ATOM 1000 CA GLY A 63 7.363 -3.318 -21.574 1.00 0.56 C ATOM 1001 C GLY A 63 6.595 -4.175 -20.547 1.00 0.73 C ATOM 1002 O GLY A 63 5.634 -4.849 -20.871 1.00 0.89 O ATOM 0 H GLY A 63 9.430 -3.898 -21.696 1.00 0.58 H new ATOM 0 HA2 GLY A 63 6.903 -2.330 -21.605 1.00 0.56 H new ATOM 0 HA3 GLY A 63 7.227 -3.764 -22.559 1.00 0.56 H new ATOM 1006 N THR A 64 7.051 -4.110 -19.332 1.00 0.72 N ATOM 1007 CA THR A 64 6.414 -4.880 -18.190 1.00 0.90 C ATOM 1008 C THR A 64 5.500 -3.891 -17.482 1.00 0.94 C ATOM 1009 O THR A 64 5.400 -2.735 -17.864 1.00 0.95 O ATOM 1010 CB THR A 64 7.515 -5.407 -17.155 1.00 0.92 C ATOM 1011 OG1 THR A 64 7.340 -6.811 -17.188 1.00 1.16 O ATOM 1012 CG2 THR A 64 7.254 -5.190 -15.620 1.00 0.58 C ATOM 0 H THR A 64 7.857 -3.547 -19.059 1.00 0.72 H new ATOM 0 HA THR A 64 5.880 -5.752 -18.568 1.00 0.90 H new ATOM 0 HB THR A 64 8.441 -4.910 -17.445 1.00 0.92 H new ATOM 0 HG1 THR A 64 7.980 -7.235 -16.579 1.00 1.16 H new ATOM 0 HG21 THR A 64 8.087 -5.599 -15.048 1.00 0.58 H new ATOM 0 HG22 THR A 64 7.162 -4.124 -15.414 1.00 0.58 H new ATOM 0 HG23 THR A 64 6.333 -5.696 -15.332 1.00 0.58 H new ATOM 1020 N SER A 65 4.842 -4.367 -16.458 1.00 1.00 N ATOM 1021 CA SER A 65 3.943 -3.454 -15.704 1.00 0.99 C ATOM 1022 C SER A 65 4.794 -2.921 -14.538 1.00 0.83 C ATOM 1023 O SER A 65 5.434 -3.593 -13.744 1.00 0.83 O ATOM 1024 CB SER A 65 2.706 -4.159 -15.096 1.00 1.15 C ATOM 1025 OG SER A 65 3.107 -4.791 -13.882 1.00 1.96 O ATOM 0 H SER A 65 4.887 -5.328 -16.119 1.00 1.00 H new ATOM 0 HA SER A 65 3.564 -2.690 -16.383 1.00 0.99 H new ATOM 0 HB2 SER A 65 1.912 -3.437 -14.905 1.00 1.15 H new ATOM 0 HB3 SER A 65 2.306 -4.895 -15.794 1.00 1.15 H new ATOM 0 HG SER A 65 2.786 -5.717 -13.873 1.00 1.96 H new ATOM 1031 N LYS A 66 4.750 -1.634 -14.492 1.00 0.74 N ATOM 1032 CA LYS A 66 5.495 -0.855 -13.456 1.00 0.64 C ATOM 1033 C LYS A 66 5.275 -1.389 -12.021 1.00 0.42 C ATOM 1034 O LYS A 66 6.127 -1.446 -11.157 1.00 0.31 O ATOM 1035 CB LYS A 66 5.016 0.567 -13.654 1.00 0.79 C ATOM 1036 CG LYS A 66 5.587 1.026 -15.045 1.00 1.20 C ATOM 1037 CD LYS A 66 5.163 2.462 -15.397 1.00 1.32 C ATOM 1038 CE LYS A 66 5.564 3.487 -14.346 1.00 0.54 C ATOM 1039 NZ LYS A 66 7.025 3.431 -14.063 1.00 1.26 N ATOM 0 H LYS A 66 4.215 -1.060 -15.144 1.00 0.74 H new ATOM 0 HA LYS A 66 6.576 -0.938 -13.573 1.00 0.64 H new ATOM 0 HB2 LYS A 66 3.927 0.617 -13.643 1.00 0.79 H new ATOM 0 HB3 LYS A 66 5.373 1.214 -12.853 1.00 0.79 H new ATOM 0 HG2 LYS A 66 6.675 0.963 -15.029 1.00 1.20 H new ATOM 0 HG3 LYS A 66 5.240 0.345 -15.822 1.00 1.20 H new ATOM 0 HD2 LYS A 66 5.608 2.740 -16.353 1.00 1.32 H new ATOM 0 HD3 LYS A 66 4.081 2.491 -15.528 1.00 1.32 H new ATOM 0 HE2 LYS A 66 5.296 4.486 -14.689 1.00 0.54 H new ATOM 0 HE3 LYS A 66 5.007 3.306 -13.427 1.00 0.54 H new ATOM 0 HZ1 LYS A 66 7.176 3.208 -13.059 1.00 1.26 H new ATOM 0 HZ2 LYS A 66 7.465 2.695 -14.651 1.00 1.26 H new ATOM 0 HZ3 LYS A 66 7.456 4.352 -14.281 1.00 1.26 H new ATOM 1053 N GLU A 67 4.060 -1.772 -11.857 1.00 0.35 N ATOM 1054 CA GLU A 67 3.514 -2.334 -10.600 1.00 0.14 C ATOM 1055 C GLU A 67 4.180 -3.716 -10.311 1.00 0.18 C ATOM 1056 O GLU A 67 4.717 -3.932 -9.237 1.00 0.19 O ATOM 1057 CB GLU A 67 2.018 -2.271 -10.915 1.00 0.28 C ATOM 1058 CG GLU A 67 1.672 -0.686 -11.072 1.00 0.91 C ATOM 1059 CD GLU A 67 0.188 -0.302 -10.881 1.00 1.13 C ATOM 1060 OE1 GLU A 67 -0.594 -0.478 -11.803 1.00 2.30 O ATOM 1061 OE2 GLU A 67 -0.037 0.167 -9.774 1.00 1.27 O ATOM 0 H GLU A 67 3.365 -1.715 -12.601 1.00 0.35 H new ATOM 0 HA GLU A 67 3.712 -1.829 -9.655 1.00 0.14 H new ATOM 0 HB2 GLU A 67 1.786 -2.816 -11.830 1.00 0.28 H new ATOM 0 HB3 GLU A 67 1.430 -2.724 -10.117 1.00 0.28 H new ATOM 0 HG2 GLU A 67 2.268 -0.130 -10.349 1.00 0.91 H new ATOM 0 HG3 GLU A 67 1.988 -0.361 -12.063 1.00 0.91 H new ATOM 1068 N ASP A 68 4.160 -4.652 -11.229 1.00 0.36 N ATOM 1069 CA ASP A 68 4.824 -5.965 -10.962 1.00 0.49 C ATOM 1070 C ASP A 68 6.284 -5.689 -10.640 1.00 0.41 C ATOM 1071 O ASP A 68 6.882 -6.220 -9.717 1.00 0.50 O ATOM 1072 CB ASP A 68 4.680 -6.795 -12.199 1.00 0.73 C ATOM 1073 CG ASP A 68 3.416 -7.603 -12.052 1.00 1.07 C ATOM 1074 OD1 ASP A 68 3.345 -8.325 -11.068 1.00 1.85 O ATOM 1075 OD2 ASP A 68 2.621 -7.412 -12.952 1.00 0.61 O ATOM 0 H ASP A 68 3.717 -4.565 -12.143 1.00 0.36 H new ATOM 0 HA ASP A 68 4.379 -6.499 -10.122 1.00 0.49 H new ATOM 0 HB2 ASP A 68 4.630 -6.160 -13.084 1.00 0.73 H new ATOM 0 HB3 ASP A 68 5.542 -7.450 -12.325 1.00 0.73 H new ATOM 1080 N ALA A 69 6.796 -4.829 -11.477 1.00 0.33 N ATOM 1081 CA ALA A 69 8.208 -4.391 -11.342 1.00 0.24 C ATOM 1082 C ALA A 69 8.304 -3.931 -9.882 1.00 0.14 C ATOM 1083 O ALA A 69 9.259 -4.270 -9.233 1.00 0.35 O ATOM 1084 CB ALA A 69 8.462 -3.254 -12.292 1.00 0.39 C ATOM 0 H ALA A 69 6.289 -4.409 -12.256 1.00 0.33 H new ATOM 0 HA ALA A 69 8.939 -5.165 -11.575 1.00 0.24 H new ATOM 0 HB1 ALA A 69 9.497 -2.926 -12.199 1.00 0.39 H new ATOM 0 HB2 ALA A 69 8.277 -3.585 -13.314 1.00 0.39 H new ATOM 0 HB3 ALA A 69 7.796 -2.425 -12.053 1.00 0.39 H new ATOM 1090 N MET A 70 7.343 -3.186 -9.397 1.00 0.12 N ATOM 1091 CA MET A 70 7.404 -2.742 -7.983 1.00 0.28 C ATOM 1092 C MET A 70 7.414 -3.926 -7.032 1.00 0.34 C ATOM 1093 O MET A 70 8.304 -4.025 -6.227 1.00 0.44 O ATOM 1094 CB MET A 70 6.182 -1.931 -7.493 1.00 0.31 C ATOM 1095 CG MET A 70 5.976 -0.598 -8.124 1.00 0.29 C ATOM 1096 SD MET A 70 4.661 0.381 -7.367 1.00 0.28 S ATOM 1097 CE MET A 70 4.989 1.830 -8.389 1.00 0.43 C ATOM 0 H MET A 70 6.526 -2.871 -9.920 1.00 0.12 H new ATOM 0 HA MET A 70 8.309 -2.134 -7.972 1.00 0.28 H new ATOM 0 HB2 MET A 70 5.286 -2.529 -7.658 1.00 0.31 H new ATOM 0 HB3 MET A 70 6.276 -1.789 -6.416 1.00 0.31 H new ATOM 0 HG2 MET A 70 6.908 -0.036 -8.073 1.00 0.29 H new ATOM 0 HG3 MET A 70 5.747 -0.739 -9.180 1.00 0.29 H new ATOM 0 HE1 MET A 70 4.293 2.626 -8.125 1.00 0.43 H new ATOM 0 HE2 MET A 70 6.011 2.170 -8.220 1.00 0.43 H new ATOM 0 HE3 MET A 70 4.862 1.570 -9.440 1.00 0.43 H new ATOM 1107 N LYS A 71 6.448 -4.779 -7.161 1.00 0.34 N ATOM 1108 CA LYS A 71 6.311 -5.953 -6.305 1.00 0.56 C ATOM 1109 C LYS A 71 7.659 -6.638 -6.156 1.00 0.44 C ATOM 1110 O LYS A 71 8.163 -6.811 -5.068 1.00 0.68 O ATOM 1111 CB LYS A 71 5.205 -6.671 -7.041 1.00 0.79 C ATOM 1112 CG LYS A 71 5.373 -8.095 -7.110 1.00 1.38 C ATOM 1113 CD LYS A 71 5.310 -8.727 -5.679 1.00 2.49 C ATOM 1114 CE LYS A 71 6.114 -10.005 -5.647 1.00 3.47 C ATOM 1115 NZ LYS A 71 5.588 -10.885 -6.737 1.00 3.29 N ATOM 0 H LYS A 71 5.716 -4.695 -7.866 1.00 0.34 H new ATOM 0 HA LYS A 71 6.044 -5.822 -5.256 1.00 0.56 H new ATOM 0 HB2 LYS A 71 4.256 -6.452 -6.552 1.00 0.79 H new ATOM 0 HB3 LYS A 71 5.141 -6.274 -8.054 1.00 0.79 H new ATOM 0 HG2 LYS A 71 4.596 -8.528 -7.739 1.00 1.38 H new ATOM 0 HG3 LYS A 71 6.329 -8.332 -7.576 1.00 1.38 H new ATOM 0 HD2 LYS A 71 5.700 -8.023 -4.943 1.00 2.49 H new ATOM 0 HD3 LYS A 71 4.274 -8.931 -5.407 1.00 2.49 H new ATOM 0 HE2 LYS A 71 7.173 -9.797 -5.798 1.00 3.47 H new ATOM 0 HE3 LYS A 71 6.020 -10.495 -4.678 1.00 3.47 H new ATOM 0 HZ1 LYS A 71 5.829 -11.875 -6.531 1.00 3.29 H new ATOM 0 HZ2 LYS A 71 4.554 -10.785 -6.795 1.00 3.29 H new ATOM 0 HZ3 LYS A 71 6.014 -10.607 -7.644 1.00 3.29 H new ATOM 1129 N ALA A 72 8.208 -6.980 -7.284 1.00 0.20 N ATOM 1130 CA ALA A 72 9.525 -7.663 -7.256 1.00 0.20 C ATOM 1131 C ALA A 72 10.645 -6.659 -6.837 1.00 0.18 C ATOM 1132 O ALA A 72 11.545 -6.992 -6.091 1.00 0.32 O ATOM 1133 CB ALA A 72 9.677 -8.239 -8.671 1.00 0.36 C ATOM 0 H ALA A 72 7.810 -6.820 -8.209 1.00 0.20 H new ATOM 0 HA ALA A 72 9.603 -8.462 -6.519 1.00 0.20 H new ATOM 0 HB1 ALA A 72 10.628 -8.766 -8.749 1.00 0.36 H new ATOM 0 HB2 ALA A 72 8.860 -8.932 -8.871 1.00 0.36 H new ATOM 0 HB3 ALA A 72 9.651 -7.428 -9.399 1.00 0.36 H new ATOM 1139 N TYR A 73 10.577 -5.452 -7.324 1.00 0.12 N ATOM 1140 CA TYR A 73 11.596 -4.420 -6.969 1.00 0.18 C ATOM 1141 C TYR A 73 11.771 -4.406 -5.456 1.00 0.19 C ATOM 1142 O TYR A 73 12.817 -4.654 -4.890 1.00 0.19 O ATOM 1143 CB TYR A 73 11.132 -3.038 -7.399 1.00 0.19 C ATOM 1144 CG TYR A 73 12.099 -2.077 -6.730 1.00 0.16 C ATOM 1145 CD1 TYR A 73 13.408 -2.056 -7.148 1.00 0.86 C ATOM 1146 CD2 TYR A 73 11.680 -1.244 -5.708 1.00 0.59 C ATOM 1147 CE1 TYR A 73 14.291 -1.211 -6.554 1.00 0.87 C ATOM 1148 CE2 TYR A 73 12.577 -0.398 -5.125 1.00 0.56 C ATOM 1149 CZ TYR A 73 13.874 -0.394 -5.555 1.00 0.17 C ATOM 1150 OH TYR A 73 14.793 0.429 -4.980 1.00 0.22 O ATOM 0 H TYR A 73 9.849 -5.130 -7.962 1.00 0.12 H new ATOM 0 HA TYR A 73 12.530 -4.663 -7.475 1.00 0.18 H new ATOM 0 HB2 TYR A 73 11.157 -2.932 -8.484 1.00 0.19 H new ATOM 0 HB3 TYR A 73 10.106 -2.850 -7.084 1.00 0.19 H new ATOM 0 HD1 TYR A 73 13.733 -2.708 -7.945 1.00 0.86 H new ATOM 0 HD2 TYR A 73 10.653 -1.263 -5.375 1.00 0.59 H new ATOM 0 HE1 TYR A 73 15.322 -1.190 -6.876 1.00 0.87 H new ATOM 0 HE2 TYR A 73 12.265 0.263 -4.330 1.00 0.56 H new ATOM 0 HH TYR A 73 15.050 1.128 -5.617 1.00 0.22 H new ATOM 1160 N ILE A 74 10.646 -4.091 -4.885 1.00 0.22 N ATOM 1161 CA ILE A 74 10.474 -3.980 -3.432 1.00 0.23 C ATOM 1162 C ILE A 74 11.088 -5.227 -2.843 1.00 0.25 C ATOM 1163 O ILE A 74 12.102 -5.164 -2.195 1.00 0.32 O ATOM 1164 CB ILE A 74 8.992 -3.899 -3.121 1.00 0.21 C ATOM 1165 CG1 ILE A 74 8.435 -2.601 -3.683 1.00 0.26 C ATOM 1166 CG2 ILE A 74 8.911 -3.753 -1.616 1.00 0.18 C ATOM 1167 CD1 ILE A 74 6.901 -2.602 -3.490 1.00 0.38 C ATOM 0 H ILE A 74 9.794 -3.896 -5.410 1.00 0.22 H new ATOM 0 HA ILE A 74 10.949 -3.091 -3.018 1.00 0.23 H new ATOM 0 HB ILE A 74 8.457 -4.759 -3.523 1.00 0.21 H new ATOM 0 HG12 ILE A 74 8.880 -1.746 -3.174 1.00 0.26 H new ATOM 0 HG13 ILE A 74 8.684 -2.508 -4.740 1.00 0.26 H new ATOM 0 HG21 ILE A 74 7.866 -3.688 -1.312 1.00 0.18 H new ATOM 0 HG22 ILE A 74 9.374 -4.618 -1.141 1.00 0.18 H new ATOM 0 HG23 ILE A 74 9.435 -2.848 -1.310 1.00 0.18 H new ATOM 0 HD11 ILE A 74 6.484 -1.677 -3.888 1.00 0.38 H new ATOM 0 HD12 ILE A 74 6.468 -3.452 -4.018 1.00 0.38 H new ATOM 0 HD13 ILE A 74 6.668 -2.678 -2.428 1.00 0.38 H new ATOM 1179 N ASP A 75 10.467 -6.341 -3.073 1.00 0.20 N ATOM 1180 CA ASP A 75 10.987 -7.626 -2.552 1.00 0.21 C ATOM 1181 C ASP A 75 12.529 -7.694 -2.608 1.00 0.21 C ATOM 1182 O ASP A 75 13.200 -8.058 -1.662 1.00 0.23 O ATOM 1183 CB ASP A 75 10.196 -8.608 -3.431 1.00 0.32 C ATOM 1184 CG ASP A 75 8.714 -8.665 -3.064 1.00 0.72 C ATOM 1185 OD1 ASP A 75 8.222 -7.739 -2.442 1.00 1.40 O ATOM 1186 OD2 ASP A 75 8.151 -9.670 -3.462 1.00 1.24 O ATOM 0 H ASP A 75 9.604 -6.417 -3.611 1.00 0.20 H new ATOM 0 HA ASP A 75 10.840 -7.830 -1.491 1.00 0.21 H new ATOM 0 HB2 ASP A 75 10.296 -8.316 -4.476 1.00 0.32 H new ATOM 0 HB3 ASP A 75 10.628 -9.604 -3.336 1.00 0.32 H new ATOM 1191 N LYS A 76 13.049 -7.304 -3.733 1.00 0.21 N ATOM 1192 CA LYS A 76 14.534 -7.330 -3.892 1.00 0.19 C ATOM 1193 C LYS A 76 15.172 -6.327 -2.938 1.00 0.14 C ATOM 1194 O LYS A 76 16.170 -6.621 -2.307 1.00 0.09 O ATOM 1195 CB LYS A 76 14.845 -7.008 -5.318 1.00 0.23 C ATOM 1196 CG LYS A 76 16.307 -7.409 -5.598 1.00 0.48 C ATOM 1197 CD LYS A 76 16.430 -8.934 -5.608 1.00 0.44 C ATOM 1198 CE LYS A 76 17.749 -9.332 -6.192 1.00 1.30 C ATOM 1199 NZ LYS A 76 17.896 -10.775 -5.871 1.00 1.42 N ATOM 0 H LYS A 76 12.524 -6.972 -4.542 1.00 0.21 H new ATOM 0 HA LYS A 76 14.939 -8.312 -3.648 1.00 0.19 H new ATOM 0 HB2 LYS A 76 14.170 -7.545 -5.984 1.00 0.23 H new ATOM 0 HB3 LYS A 76 14.700 -5.944 -5.507 1.00 0.23 H new ATOM 0 HG2 LYS A 76 16.629 -7.002 -6.557 1.00 0.48 H new ATOM 0 HG3 LYS A 76 16.962 -6.987 -4.836 1.00 0.48 H new ATOM 0 HD2 LYS A 76 16.339 -9.322 -4.593 1.00 0.44 H new ATOM 0 HD3 LYS A 76 15.618 -9.370 -6.190 1.00 0.44 H new ATOM 0 HE2 LYS A 76 17.770 -9.164 -7.269 1.00 1.30 H new ATOM 0 HE3 LYS A 76 18.563 -8.748 -5.762 1.00 1.30 H new ATOM 0 HZ1 LYS A 76 18.799 -11.125 -6.250 1.00 1.42 H new ATOM 0 HZ2 LYS A 76 17.880 -10.905 -4.839 1.00 1.42 H new ATOM 0 HZ3 LYS A 76 17.112 -11.307 -6.299 1.00 1.42 H new ATOM 1213 N VAL A 77 14.612 -5.159 -2.858 1.00 0.18 N ATOM 1214 CA VAL A 77 15.180 -4.145 -1.934 1.00 0.15 C ATOM 1215 C VAL A 77 15.060 -4.749 -0.550 1.00 0.14 C ATOM 1216 O VAL A 77 16.040 -4.789 0.165 1.00 0.10 O ATOM 1217 CB VAL A 77 14.389 -2.873 -1.937 1.00 0.21 C ATOM 1218 CG1 VAL A 77 14.983 -1.972 -0.828 1.00 0.31 C ATOM 1219 CG2 VAL A 77 14.537 -2.164 -3.287 1.00 0.21 C ATOM 0 H VAL A 77 13.792 -4.862 -3.387 1.00 0.18 H new ATOM 0 HA VAL A 77 16.201 -3.905 -2.232 1.00 0.15 H new ATOM 0 HB VAL A 77 13.332 -3.078 -1.767 1.00 0.21 H new ATOM 0 HG11 VAL A 77 14.436 -1.030 -0.793 1.00 0.31 H new ATOM 0 HG12 VAL A 77 14.899 -2.477 0.135 1.00 0.31 H new ATOM 0 HG13 VAL A 77 16.033 -1.774 -1.044 1.00 0.31 H new ATOM 0 HG21 VAL A 77 13.958 -1.241 -3.278 1.00 0.21 H new ATOM 0 HG22 VAL A 77 15.587 -1.932 -3.463 1.00 0.21 H new ATOM 0 HG23 VAL A 77 14.171 -2.814 -4.082 1.00 0.21 H new ATOM 1229 N GLU A 78 13.884 -5.213 -0.185 1.00 0.23 N ATOM 1230 CA GLU A 78 13.683 -5.818 1.153 1.00 0.29 C ATOM 1231 C GLU A 78 14.816 -6.836 1.315 1.00 0.22 C ATOM 1232 O GLU A 78 15.474 -6.847 2.336 1.00 0.16 O ATOM 1233 CB GLU A 78 12.222 -6.368 1.130 1.00 0.56 C ATOM 1234 CG GLU A 78 11.318 -5.431 2.052 1.00 0.86 C ATOM 1235 CD GLU A 78 11.488 -3.913 1.785 1.00 2.25 C ATOM 1236 OE1 GLU A 78 10.829 -3.362 0.923 1.00 3.41 O ATOM 1237 OE2 GLU A 78 12.304 -3.343 2.493 1.00 2.55 O ATOM 0 H GLU A 78 13.051 -5.193 -0.773 1.00 0.23 H new ATOM 0 HA GLU A 78 13.748 -5.165 2.024 1.00 0.29 H new ATOM 0 HB2 GLU A 78 11.838 -6.381 0.110 1.00 0.56 H new ATOM 0 HB3 GLU A 78 12.198 -7.395 1.493 1.00 0.56 H new ATOM 0 HG2 GLU A 78 10.272 -5.698 1.905 1.00 0.86 H new ATOM 0 HG3 GLU A 78 11.555 -5.632 3.097 1.00 0.86 H new ATOM 1244 N GLU A 79 15.054 -7.691 0.356 1.00 0.27 N ATOM 1245 CA GLU A 79 16.188 -8.652 0.520 1.00 0.30 C ATOM 1246 C GLU A 79 17.450 -7.818 0.926 1.00 0.26 C ATOM 1247 O GLU A 79 18.081 -8.017 1.948 1.00 0.28 O ATOM 1248 CB GLU A 79 16.360 -9.366 -0.824 1.00 0.37 C ATOM 1249 CG GLU A 79 15.395 -10.573 -0.847 1.00 0.38 C ATOM 1250 CD GLU A 79 15.876 -11.638 0.141 1.00 1.69 C ATOM 1251 OE1 GLU A 79 17.046 -11.976 0.103 1.00 1.72 O ATOM 1252 OE2 GLU A 79 15.062 -12.080 0.922 1.00 3.12 O ATOM 0 H GLU A 79 14.528 -7.767 -0.514 1.00 0.27 H new ATOM 0 HA GLU A 79 16.019 -9.403 1.291 1.00 0.30 H new ATOM 0 HB2 GLU A 79 16.141 -8.687 -1.648 1.00 0.37 H new ATOM 0 HB3 GLU A 79 17.390 -9.699 -0.950 1.00 0.37 H new ATOM 0 HG2 GLU A 79 14.387 -10.250 -0.586 1.00 0.38 H new ATOM 0 HG3 GLU A 79 15.345 -10.992 -1.852 1.00 0.38 H new ATOM 1259 N LEU A 80 17.810 -6.877 0.092 1.00 0.21 N ATOM 1260 CA LEU A 80 19.006 -6.013 0.407 1.00 0.18 C ATOM 1261 C LEU A 80 19.038 -5.476 1.820 1.00 0.22 C ATOM 1262 O LEU A 80 20.004 -5.624 2.539 1.00 0.27 O ATOM 1263 CB LEU A 80 19.040 -4.831 -0.546 1.00 0.05 C ATOM 1264 CG LEU A 80 19.502 -5.319 -1.886 1.00 0.06 C ATOM 1265 CD1 LEU A 80 19.571 -4.158 -2.827 1.00 0.13 C ATOM 1266 CD2 LEU A 80 20.882 -5.936 -1.694 1.00 0.36 C ATOM 0 H LEU A 80 17.338 -6.664 -0.787 1.00 0.21 H new ATOM 0 HA LEU A 80 19.874 -6.663 0.293 1.00 0.18 H new ATOM 0 HB2 LEU A 80 18.051 -4.380 -0.627 1.00 0.05 H new ATOM 0 HB3 LEU A 80 19.712 -4.060 -0.170 1.00 0.05 H new ATOM 0 HG LEU A 80 18.818 -6.059 -2.301 1.00 0.06 H new ATOM 0 HD11 LEU A 80 19.906 -4.502 -3.805 1.00 0.13 H new ATOM 0 HD12 LEU A 80 18.584 -3.706 -2.920 1.00 0.13 H new ATOM 0 HD13 LEU A 80 20.274 -3.419 -2.442 1.00 0.13 H new ATOM 0 HD21 LEU A 80 21.252 -6.304 -2.651 1.00 0.36 H new ATOM 0 HD22 LEU A 80 21.567 -5.182 -1.305 1.00 0.36 H new ATOM 0 HD23 LEU A 80 20.815 -6.764 -0.988 1.00 0.36 H new ATOM 1278 N LYS A 81 17.960 -4.843 2.141 1.00 0.22 N ATOM 1279 CA LYS A 81 17.733 -4.221 3.478 1.00 0.29 C ATOM 1280 C LYS A 81 18.369 -5.039 4.606 1.00 0.36 C ATOM 1281 O LYS A 81 18.906 -4.493 5.543 1.00 0.46 O ATOM 1282 CB LYS A 81 16.245 -4.136 3.702 1.00 0.32 C ATOM 1283 CG LYS A 81 15.946 -3.425 5.032 1.00 0.34 C ATOM 1284 CD LYS A 81 14.418 -3.259 5.203 1.00 0.56 C ATOM 1285 CE LYS A 81 14.074 -2.544 6.531 1.00 0.64 C ATOM 1286 NZ LYS A 81 14.715 -1.202 6.517 1.00 1.14 N ATOM 0 H LYS A 81 17.177 -4.721 1.498 1.00 0.22 H new ATOM 0 HA LYS A 81 18.196 -3.234 3.490 1.00 0.29 H new ATOM 0 HB2 LYS A 81 15.777 -3.595 2.879 1.00 0.32 H new ATOM 0 HB3 LYS A 81 15.814 -5.137 3.712 1.00 0.32 H new ATOM 0 HG2 LYS A 81 16.354 -4.001 5.863 1.00 0.34 H new ATOM 0 HG3 LYS A 81 16.432 -2.449 5.051 1.00 0.34 H new ATOM 0 HD2 LYS A 81 14.016 -2.688 4.366 1.00 0.56 H new ATOM 0 HD3 LYS A 81 13.939 -4.238 5.180 1.00 0.56 H new ATOM 0 HE2 LYS A 81 12.994 -2.448 6.642 1.00 0.64 H new ATOM 0 HE3 LYS A 81 14.431 -3.127 7.380 1.00 0.64 H new ATOM 0 HZ1 LYS A 81 15.338 -1.106 7.344 1.00 1.14 H new ATOM 0 HZ2 LYS A 81 15.275 -1.094 5.647 1.00 1.14 H new ATOM 0 HZ3 LYS A 81 13.981 -0.466 6.550 1.00 1.14 H new ATOM 1300 N LYS A 82 18.268 -6.328 4.417 1.00 0.32 N ATOM 1301 CA LYS A 82 18.730 -7.403 5.273 1.00 0.41 C ATOM 1302 C LYS A 82 20.149 -7.799 4.967 1.00 0.43 C ATOM 1303 O LYS A 82 21.014 -7.859 5.814 1.00 0.42 O ATOM 1304 CB LYS A 82 17.624 -8.393 5.002 1.00 0.68 C ATOM 1305 CG LYS A 82 18.131 -9.692 4.703 1.00 1.72 C ATOM 1306 CD LYS A 82 16.939 -10.717 4.800 1.00 1.48 C ATOM 1307 CE LYS A 82 17.245 -12.088 4.148 1.00 3.04 C ATOM 1308 NZ LYS A 82 16.771 -12.010 2.732 1.00 3.62 N ATOM 0 H LYS A 82 17.816 -6.693 3.579 1.00 0.32 H new ATOM 0 HA LYS A 82 18.849 -7.208 6.339 1.00 0.41 H new ATOM 0 HB2 LYS A 82 16.968 -8.451 5.871 1.00 0.68 H new ATOM 0 HB3 LYS A 82 17.018 -8.040 4.168 1.00 0.68 H new ATOM 0 HG2 LYS A 82 18.568 -9.710 3.704 1.00 1.72 H new ATOM 0 HG3 LYS A 82 18.923 -9.962 5.402 1.00 1.72 H new ATOM 0 HD2 LYS A 82 16.688 -10.871 5.849 1.00 1.48 H new ATOM 0 HD3 LYS A 82 16.060 -10.285 4.322 1.00 1.48 H new ATOM 0 HE2 LYS A 82 18.313 -12.304 4.187 1.00 3.04 H new ATOM 0 HE3 LYS A 82 16.737 -12.891 4.682 1.00 3.04 H new ATOM 0 HZ1 LYS A 82 17.348 -12.639 2.138 1.00 3.62 H new ATOM 0 HZ2 LYS A 82 15.775 -12.304 2.683 1.00 3.62 H new ATOM 0 HZ3 LYS A 82 16.861 -11.032 2.389 1.00 3.62 H new ATOM 1322 N LYS A 83 20.333 -8.090 3.730 1.00 0.43 N ATOM 1323 CA LYS A 83 21.676 -8.498 3.260 1.00 0.43 C ATOM 1324 C LYS A 83 22.763 -7.544 3.785 1.00 0.44 C ATOM 1325 O LYS A 83 23.777 -7.947 4.319 1.00 0.52 O ATOM 1326 CB LYS A 83 21.639 -8.489 1.770 1.00 0.34 C ATOM 1327 CG LYS A 83 20.752 -9.617 1.279 1.00 0.35 C ATOM 1328 CD LYS A 83 20.361 -9.346 -0.186 1.00 0.23 C ATOM 1329 CE LYS A 83 19.727 -10.624 -0.710 1.00 0.38 C ATOM 1330 NZ LYS A 83 20.770 -11.705 -0.768 1.00 0.81 N ATOM 0 H LYS A 83 19.610 -8.065 3.011 1.00 0.43 H new ATOM 0 HA LYS A 83 21.924 -9.491 3.635 1.00 0.43 H new ATOM 0 HB2 LYS A 83 21.261 -7.532 1.411 1.00 0.34 H new ATOM 0 HB3 LYS A 83 22.646 -8.604 1.370 1.00 0.34 H new ATOM 0 HG2 LYS A 83 21.276 -10.570 1.359 1.00 0.35 H new ATOM 0 HG3 LYS A 83 19.859 -9.691 1.900 1.00 0.35 H new ATOM 0 HD2 LYS A 83 19.663 -8.512 -0.253 1.00 0.23 H new ATOM 0 HD3 LYS A 83 21.236 -9.077 -0.777 1.00 0.23 H new ATOM 0 HE2 LYS A 83 18.906 -10.929 -0.062 1.00 0.38 H new ATOM 0 HE3 LYS A 83 19.305 -10.455 -1.701 1.00 0.38 H new ATOM 0 HZ1 LYS A 83 20.363 -12.557 -1.205 1.00 0.81 H new ATOM 0 HZ2 LYS A 83 21.578 -11.378 -1.335 1.00 0.81 H new ATOM 0 HZ3 LYS A 83 21.091 -11.930 0.195 1.00 0.81 H new ATOM 1344 N TYR A 84 22.454 -6.291 3.602 1.00 0.39 N ATOM 1345 CA TYR A 84 23.423 -5.253 4.060 1.00 0.44 C ATOM 1346 C TYR A 84 22.875 -4.676 5.385 1.00 0.52 C ATOM 1347 O TYR A 84 23.719 -4.553 6.255 1.00 0.67 O ATOM 1348 CB TYR A 84 23.626 -4.258 2.795 1.00 0.36 C ATOM 1349 CG TYR A 84 24.003 -5.264 1.676 1.00 0.36 C ATOM 1350 CD1 TYR A 84 25.314 -5.685 1.553 1.00 0.90 C ATOM 1351 CD2 TYR A 84 23.059 -5.831 0.826 1.00 0.92 C ATOM 1352 CE1 TYR A 84 25.664 -6.648 0.621 1.00 0.88 C ATOM 1353 CE2 TYR A 84 23.421 -6.786 -0.088 1.00 0.94 C ATOM 1354 CZ TYR A 84 24.716 -7.204 -0.203 1.00 0.40 C ATOM 1355 OH TYR A 84 25.057 -8.160 -1.140 1.00 0.43 O ATOM 0 H TYR A 84 21.598 -5.945 3.168 1.00 0.39 H new ATOM 0 HA TYR A 84 24.427 -5.586 4.322 1.00 0.44 H new ATOM 0 HB2 TYR A 84 22.719 -3.702 2.559 1.00 0.36 H new ATOM 0 HB3 TYR A 84 24.413 -3.524 2.971 1.00 0.36 H new ATOM 0 HD1 TYR A 84 26.074 -5.258 2.191 1.00 0.90 H new ATOM 0 HD2 TYR A 84 22.028 -5.515 0.887 1.00 0.92 H new ATOM 0 HE1 TYR A 84 26.693 -6.965 0.541 1.00 0.88 H new ATOM 0 HE2 TYR A 84 22.667 -7.217 -0.730 1.00 0.94 H new ATOM 0 HH TYR A 84 24.272 -8.380 -1.684 1.00 0.43 H new ATOM 1365 N GLY A 85 21.617 -4.315 5.609 1.00 0.45 N ATOM 1366 CA GLY A 85 21.318 -3.814 7.015 1.00 0.58 C ATOM 1367 C GLY A 85 20.793 -2.441 7.316 1.00 0.60 C ATOM 1368 O GLY A 85 21.485 -1.639 7.918 1.00 0.62 O ATOM 0 H GLY A 85 20.842 -4.339 4.946 1.00 0.45 H new ATOM 0 HA2 GLY A 85 20.603 -4.516 7.444 1.00 0.58 H new ATOM 0 HA3 GLY A 85 22.244 -3.918 7.580 1.00 0.58 H new ATOM 1372 N ILE A 86 19.594 -2.208 6.880 1.00 0.59 N ATOM 1373 CA ILE A 86 18.926 -0.927 7.099 1.00 0.58 C ATOM 1374 C ILE A 86 17.458 -1.105 7.604 1.00 0.89 C ATOM 1375 O ILE A 86 16.971 -2.221 7.591 1.00 1.44 O ATOM 1376 CB ILE A 86 19.104 -0.218 5.734 1.00 0.23 C ATOM 1377 CG1 ILE A 86 17.809 0.168 5.046 1.00 0.41 C ATOM 1378 CG2 ILE A 86 20.004 -0.901 4.702 1.00 0.72 C ATOM 1379 CD1 ILE A 86 17.749 1.693 4.914 1.00 0.33 C ATOM 1380 OXT ILE A 86 16.835 -0.126 7.987 1.00 1.18 O ATOM 0 H ILE A 86 19.037 -2.887 6.362 1.00 0.59 H new ATOM 0 HA ILE A 86 19.343 -0.322 7.904 1.00 0.58 H new ATOM 0 HB ILE A 86 19.628 0.676 6.073 1.00 0.23 H new ATOM 0 HG12 ILE A 86 17.752 -0.297 4.062 1.00 0.41 H new ATOM 0 HG13 ILE A 86 16.956 -0.194 5.619 1.00 0.41 H new ATOM 0 HG21 ILE A 86 20.040 -0.298 3.795 1.00 0.72 H new ATOM 0 HG22 ILE A 86 21.010 -1.005 5.109 1.00 0.72 H new ATOM 0 HG23 ILE A 86 19.604 -1.887 4.467 1.00 0.72 H new ATOM 0 HD11 ILE A 86 16.820 1.979 4.420 1.00 0.33 H new ATOM 0 HD12 ILE A 86 17.787 2.146 5.905 1.00 0.33 H new ATOM 0 HD13 ILE A 86 18.596 2.041 4.323 1.00 0.33 H new