USER MOD reduce.3.24.130724 H: found=0, std=0, add=663, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 666 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 84 GLN : amide:sc= -0.138 X(o=1.1,f=1) USER MOD Set 1.2: A 88 THR OG1 : rot 76:sc= 1.21 USER MOD Set 2.1: A 58 LYS NZ :NH3+ 140:sc= 0.566 (180deg=0.144) USER MOD Set 2.2: A 59 ASN : amide:sc= -0.0971 X(o=0.47,f=0.24) USER MOD Set 3.1: A 20 ASN : amide:sc= 0.485 K(o=0.67,f=-6!) USER MOD Set 3.2: A 22 ASN : amide:sc= 0.181 X(o=0.67,f=0.32) USER MOD Single : A 11 LYS NZ :NH3+ 152:sc= 1.18 (180deg=0.641) USER MOD Single : A 14 GLN : amide:sc= 0.419 X(o=0.42,f=0) USER MOD Single : A 25 MET CE :methyl 152:sc= -0.108 (180deg=-0.781) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.00708 USER MOD Single : A 44 SER OG : rot -63:sc= 1.24 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot -179:sc= 0.00638 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HD1:sc= 0.188! C(o=0.19!,f=-4.6!) USER MOD Single : A 60 LYS NZ :NH3+ 149:sc= 1.23 (180deg=0.923) USER MOD Single : A 63 TYR OH : rot 165:sc= -0.12 USER MOD Single : A 65 MET CE :methyl 136:sc= -0.295 (180deg=-1.63) USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 73 TYR OH : rot 180:sc= -0.633 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= 0.514 K(o=0.51,f=-1) USER MOD Single : A 83 ASN : amide:sc= -2.7! C(o=-2.7!,f=-3!) USER MOD Single : A 89 THR OG1 : rot 66:sc= 0.71 USER MOD ----------------------------------------------------------------- ATOM 84 N ASP A 6 -8.807 8.980 5.950 1.00 0.00 N ATOM 85 CA ASP A 6 -9.457 7.789 5.472 1.00 0.00 C ATOM 86 C ASP A 6 -9.515 6.670 6.527 1.00 0.00 C ATOM 87 O ASP A 6 -8.504 6.348 7.175 1.00 0.00 O ATOM 88 CB ASP A 6 -8.756 7.305 4.221 1.00 0.00 C ATOM 89 CG ASP A 6 -9.226 5.971 3.779 1.00 0.00 C ATOM 90 OD1 ASP A 6 -10.333 5.869 3.215 1.00 0.00 O ATOM 91 OD2 ASP A 6 -8.502 5.010 3.968 1.00 0.00 O ATOM 0 HA ASP A 6 -10.492 8.047 5.246 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -8.916 8.026 3.419 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -7.682 7.265 4.404 1.00 0.00 H new ATOM 96 N PRO A 7 -10.717 6.082 6.717 1.00 0.00 N ATOM 97 CA PRO A 7 -10.941 4.960 7.645 1.00 0.00 C ATOM 98 C PRO A 7 -10.146 3.688 7.292 1.00 0.00 C ATOM 99 O PRO A 7 -9.783 2.911 8.181 1.00 0.00 O ATOM 100 CB PRO A 7 -12.439 4.668 7.512 1.00 0.00 C ATOM 101 CG PRO A 7 -13.029 5.913 6.960 1.00 0.00 C ATOM 102 CD PRO A 7 -11.975 6.513 6.084 1.00 0.00 C ATOM 0 HA PRO A 7 -10.612 5.230 8.649 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -12.618 3.820 6.851 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -12.879 4.418 8.477 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -13.934 5.698 6.391 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -13.310 6.599 7.759 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -12.052 6.153 5.058 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -12.054 7.599 6.047 1.00 0.00 H new ATOM 110 N GLU A 8 -9.873 3.472 6.016 1.00 0.00 N ATOM 111 CA GLU A 8 -9.173 2.267 5.592 1.00 0.00 C ATOM 112 C GLU A 8 -7.718 2.360 6.044 1.00 0.00 C ATOM 113 O GLU A 8 -7.166 1.420 6.632 1.00 0.00 O ATOM 114 CB GLU A 8 -9.244 2.093 4.066 1.00 0.00 C ATOM 115 CG GLU A 8 -10.646 2.178 3.469 1.00 0.00 C ATOM 116 CD GLU A 8 -11.580 1.114 3.969 1.00 0.00 C ATOM 117 OE1 GLU A 8 -12.234 1.313 5.014 1.00 0.00 O ATOM 118 OE2 GLU A 8 -11.720 0.071 3.313 1.00 0.00 O ATOM 0 H GLU A 8 -10.122 4.109 5.259 1.00 0.00 H new ATOM 0 HA GLU A 8 -9.651 1.399 6.046 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -8.621 2.856 3.600 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -8.813 1.126 3.806 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -11.069 3.157 3.696 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -10.574 2.106 2.384 1.00 0.00 H new ATOM 125 N PHE A 9 -7.135 3.521 5.812 1.00 0.00 N ATOM 126 CA PHE A 9 -5.764 3.812 6.189 1.00 0.00 C ATOM 127 C PHE A 9 -5.569 3.708 7.708 1.00 0.00 C ATOM 128 O PHE A 9 -4.585 3.118 8.183 1.00 0.00 O ATOM 129 CB PHE A 9 -5.354 5.210 5.696 1.00 0.00 C ATOM 130 CG PHE A 9 -3.898 5.528 5.918 1.00 0.00 C ATOM 131 CD1 PHE A 9 -3.460 6.087 7.114 1.00 0.00 C ATOM 132 CD2 PHE A 9 -2.967 5.254 4.931 1.00 0.00 C ATOM 133 CE1 PHE A 9 -2.126 6.359 7.318 1.00 0.00 C ATOM 134 CE2 PHE A 9 -1.633 5.529 5.129 1.00 0.00 C ATOM 135 CZ PHE A 9 -1.212 6.081 6.327 1.00 0.00 C ATOM 0 H PHE A 9 -7.606 4.299 5.350 1.00 0.00 H new ATOM 0 HA PHE A 9 -5.124 3.068 5.714 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -5.576 5.290 4.632 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -5.962 5.958 6.205 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -4.175 6.310 7.892 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -3.291 4.820 3.996 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -1.798 6.789 8.253 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -0.915 5.314 4.351 1.00 0.00 H new ATOM 0 HZ PHE A 9 -0.165 6.294 6.484 1.00 0.00 H new ATOM 145 N VAL A 10 -6.497 4.273 8.472 1.00 0.00 N ATOM 146 CA VAL A 10 -6.393 4.232 9.929 1.00 0.00 C ATOM 147 C VAL A 10 -6.443 2.777 10.437 1.00 0.00 C ATOM 148 O VAL A 10 -5.783 2.424 11.425 1.00 0.00 O ATOM 149 CB VAL A 10 -7.421 5.163 10.669 1.00 0.00 C ATOM 150 CG1 VAL A 10 -8.844 4.660 10.581 1.00 0.00 C ATOM 151 CG2 VAL A 10 -7.014 5.393 12.117 1.00 0.00 C ATOM 0 H VAL A 10 -7.320 4.759 8.115 1.00 0.00 H new ATOM 0 HA VAL A 10 -5.418 4.648 10.182 1.00 0.00 H new ATOM 0 HB VAL A 10 -7.397 6.119 10.147 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -9.506 5.345 11.111 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -9.145 4.601 9.535 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -8.909 3.671 11.034 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -7.745 6.041 12.602 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -6.973 4.437 12.640 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -6.033 5.866 12.148 1.00 0.00 H new ATOM 161 N LYS A 11 -7.216 1.930 9.760 1.00 0.00 N ATOM 162 CA LYS A 11 -7.230 0.519 10.074 1.00 0.00 C ATOM 163 C LYS A 11 -5.884 -0.112 9.768 1.00 0.00 C ATOM 164 O LYS A 11 -5.369 -0.854 10.579 1.00 0.00 O ATOM 165 CB LYS A 11 -8.349 -0.206 9.351 1.00 0.00 C ATOM 166 CG LYS A 11 -9.727 0.170 9.854 1.00 0.00 C ATOM 167 CD LYS A 11 -10.830 -0.522 9.070 1.00 0.00 C ATOM 168 CE LYS A 11 -10.884 -0.019 7.649 1.00 0.00 C ATOM 169 NZ LYS A 11 -12.010 -0.573 6.895 1.00 0.00 N ATOM 0 H LYS A 11 -7.835 2.203 8.996 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.420 0.421 11.143 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.286 0.013 8.285 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.209 -1.281 9.464 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.812 -0.093 10.908 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.856 1.250 9.784 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.661 -1.599 9.072 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -11.790 -0.349 9.557 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -10.957 1.069 7.656 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -9.953 -0.273 7.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -12.295 0.098 6.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -11.726 -1.472 6.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -12.810 -0.739 7.538 1.00 0.00 H new ATOM 183 N LEU A 12 -5.292 0.236 8.618 1.00 0.00 N ATOM 184 CA LEU A 12 -3.960 -0.278 8.228 1.00 0.00 C ATOM 185 C LEU A 12 -2.918 0.066 9.278 1.00 0.00 C ATOM 186 O LEU A 12 -2.031 -0.731 9.578 1.00 0.00 O ATOM 187 CB LEU A 12 -3.494 0.319 6.903 1.00 0.00 C ATOM 188 CG LEU A 12 -4.323 0.029 5.672 1.00 0.00 C ATOM 189 CD1 LEU A 12 -3.770 0.820 4.515 1.00 0.00 C ATOM 190 CD2 LEU A 12 -4.285 -1.450 5.343 1.00 0.00 C ATOM 0 H LEU A 12 -5.709 0.871 7.937 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.062 -1.359 8.131 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.439 1.401 7.023 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.480 -0.033 6.715 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.358 0.314 5.860 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.360 0.619 3.621 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.815 1.884 4.747 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.734 0.530 4.338 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.887 -1.641 4.454 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.255 -1.755 5.156 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.685 -2.020 6.182 1.00 0.00 H new ATOM 202 N ARG A 13 -3.039 1.263 9.827 1.00 0.00 N ATOM 203 CA ARG A 13 -2.125 1.763 10.842 1.00 0.00 C ATOM 204 C ARG A 13 -2.133 0.842 12.071 1.00 0.00 C ATOM 205 O ARG A 13 -1.091 0.548 12.651 1.00 0.00 O ATOM 206 CB ARG A 13 -2.530 3.193 11.234 1.00 0.00 C ATOM 207 CG ARG A 13 -1.564 3.906 12.170 1.00 0.00 C ATOM 208 CD ARG A 13 -0.208 4.123 11.512 1.00 0.00 C ATOM 209 NE ARG A 13 0.713 4.845 12.390 1.00 0.00 N ATOM 210 CZ ARG A 13 1.961 5.199 12.083 1.00 0.00 C ATOM 211 NH1 ARG A 13 2.475 4.891 10.888 1.00 0.00 N ATOM 212 NH2 ARG A 13 2.698 5.857 12.973 1.00 0.00 N ATOM 0 H ARG A 13 -3.779 1.920 9.580 1.00 0.00 H new ATOM 0 HA ARG A 13 -1.113 1.778 10.439 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.635 3.786 10.325 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -3.511 3.159 11.707 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -1.984 4.867 12.465 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -1.438 3.320 13.080 1.00 0.00 H new ATOM 0 HD2 ARG A 13 0.225 3.159 11.245 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -0.339 4.681 10.585 1.00 0.00 H new ATOM 0 HE ARG A 13 0.371 5.099 13.317 1.00 0.00 H new ATOM 0 HH11 ARG A 13 1.912 4.383 10.206 1.00 0.00 H new ATOM 0 HH12 ARG A 13 3.430 5.164 10.658 1.00 0.00 H new ATOM 0 HH21 ARG A 13 2.308 6.089 13.886 1.00 0.00 H new ATOM 0 HH22 ARG A 13 3.653 6.130 12.742 1.00 0.00 H new ATOM 226 N GLN A 14 -3.312 0.386 12.431 1.00 0.00 N ATOM 227 CA GLN A 14 -3.505 -0.509 13.570 1.00 0.00 C ATOM 228 C GLN A 14 -3.161 -1.947 13.176 1.00 0.00 C ATOM 229 O GLN A 14 -2.685 -2.743 13.993 1.00 0.00 O ATOM 230 CB GLN A 14 -4.955 -0.420 14.020 1.00 0.00 C ATOM 231 CG GLN A 14 -5.366 0.975 14.450 1.00 0.00 C ATOM 232 CD GLN A 14 -6.851 1.093 14.659 1.00 0.00 C ATOM 233 OE1 GLN A 14 -7.361 0.856 15.753 1.00 0.00 O ATOM 234 NE2 GLN A 14 -7.550 1.485 13.624 1.00 0.00 N ATOM 0 H GLN A 14 -4.176 0.623 11.943 1.00 0.00 H new ATOM 0 HA GLN A 14 -2.847 -0.213 14.387 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -5.601 -0.747 13.205 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -5.114 -1.110 14.849 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -4.849 1.235 15.374 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -5.049 1.694 13.694 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -7.085 1.670 12.735 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -8.560 1.605 13.706 1.00 0.00 H new ATOM 314 N VAL A 19 3.619 -7.918 6.823 1.00 0.00 N ATOM 315 CA VAL A 19 3.995 -8.125 5.441 1.00 0.00 C ATOM 316 C VAL A 19 5.467 -7.811 5.289 1.00 0.00 C ATOM 317 O VAL A 19 6.080 -7.256 6.205 1.00 0.00 O ATOM 318 CB VAL A 19 3.188 -7.193 4.490 1.00 0.00 C ATOM 319 CG1 VAL A 19 1.716 -7.538 4.492 1.00 0.00 C ATOM 320 CG2 VAL A 19 3.380 -5.735 4.884 1.00 0.00 C ATOM 0 HA VAL A 19 3.782 -9.160 5.175 1.00 0.00 H new ATOM 0 HB VAL A 19 3.570 -7.345 3.480 1.00 0.00 H new ATOM 0 HG11 VAL A 19 1.184 -6.867 3.817 1.00 0.00 H new ATOM 0 HG12 VAL A 19 1.583 -8.567 4.159 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.318 -7.428 5.501 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.809 -5.097 4.209 1.00 0.00 H new ATOM 0 HG22 VAL A 19 3.032 -5.585 5.906 1.00 0.00 H new ATOM 0 HG23 VAL A 19 4.437 -5.477 4.820 1.00 0.00 H new ATOM 330 N ASN A 20 6.037 -8.158 4.169 1.00 0.00 N ATOM 331 CA ASN A 20 7.429 -7.845 3.933 1.00 0.00 C ATOM 332 C ASN A 20 7.522 -6.450 3.363 1.00 0.00 C ATOM 333 O ASN A 20 6.848 -6.139 2.372 1.00 0.00 O ATOM 334 CB ASN A 20 8.069 -8.802 2.944 1.00 0.00 C ATOM 335 CG ASN A 20 9.572 -8.654 2.912 1.00 0.00 C ATOM 336 OD1 ASN A 20 10.114 -7.827 2.186 1.00 0.00 O ATOM 337 ND2 ASN A 20 10.249 -9.451 3.672 1.00 0.00 N ATOM 0 H ASN A 20 5.570 -8.653 3.409 1.00 0.00 H new ATOM 0 HA ASN A 20 7.955 -7.930 4.884 1.00 0.00 H new ATOM 0 HB2 ASN A 20 7.810 -9.827 3.211 1.00 0.00 H new ATOM 0 HB3 ASN A 20 7.665 -8.620 1.948 1.00 0.00 H new ATOM 0 HD21 ASN A 20 11.268 -9.404 3.681 1.00 0.00 H new ATOM 0 HD22 ASN A 20 9.764 -10.126 4.263 1.00 0.00 H new ATOM 344 N PHE A 21 8.352 -5.626 3.961 1.00 0.00 N ATOM 345 CA PHE A 21 8.552 -4.252 3.531 1.00 0.00 C ATOM 346 C PHE A 21 8.992 -4.168 2.074 1.00 0.00 C ATOM 347 O PHE A 21 8.511 -3.318 1.319 1.00 0.00 O ATOM 348 CB PHE A 21 9.590 -3.555 4.424 1.00 0.00 C ATOM 349 CG PHE A 21 9.896 -2.142 3.996 1.00 0.00 C ATOM 350 CD1 PHE A 21 9.071 -1.103 4.365 1.00 0.00 C ATOM 351 CD2 PHE A 21 11.002 -1.864 3.203 1.00 0.00 C ATOM 352 CE1 PHE A 21 9.336 0.187 3.958 1.00 0.00 C ATOM 353 CE2 PHE A 21 11.269 -0.580 2.792 1.00 0.00 C ATOM 354 CZ PHE A 21 10.436 0.449 3.171 1.00 0.00 C ATOM 0 H PHE A 21 8.916 -5.890 4.769 1.00 0.00 H new ATOM 0 HA PHE A 21 7.592 -3.745 3.623 1.00 0.00 H new ATOM 0 HB2 PHE A 21 9.226 -3.545 5.451 1.00 0.00 H new ATOM 0 HB3 PHE A 21 10.512 -4.136 4.418 1.00 0.00 H new ATOM 0 HD1 PHE A 21 8.206 -1.301 4.981 1.00 0.00 H new ATOM 0 HD2 PHE A 21 11.660 -2.667 2.906 1.00 0.00 H new ATOM 0 HE1 PHE A 21 8.681 0.992 4.256 1.00 0.00 H new ATOM 0 HE2 PHE A 21 12.131 -0.378 2.173 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.645 1.459 2.852 1.00 0.00 H new ATOM 364 N ASN A 22 9.859 -5.077 1.667 1.00 0.00 N ATOM 365 CA ASN A 22 10.435 -5.012 0.327 1.00 0.00 C ATOM 366 C ASN A 22 9.398 -5.392 -0.670 1.00 0.00 C ATOM 367 O ASN A 22 9.321 -4.821 -1.749 1.00 0.00 O ATOM 368 CB ASN A 22 11.656 -5.937 0.151 1.00 0.00 C ATOM 369 CG ASN A 22 12.806 -5.646 1.091 1.00 0.00 C ATOM 370 OD1 ASN A 22 13.676 -4.799 0.809 1.00 0.00 O ATOM 371 ND2 ASN A 22 12.866 -6.378 2.180 1.00 0.00 N ATOM 0 H ASN A 22 10.180 -5.862 2.234 1.00 0.00 H new ATOM 0 HA ASN A 22 10.776 -3.988 0.175 1.00 0.00 H new ATOM 0 HB2 ASN A 22 11.337 -6.969 0.296 1.00 0.00 H new ATOM 0 HB3 ASN A 22 12.013 -5.855 -0.876 1.00 0.00 H new ATOM 0 HD21 ASN A 22 13.644 -6.263 2.829 1.00 0.00 H new ATOM 0 HD22 ASN A 22 12.134 -7.061 2.376 1.00 0.00 H new ATOM 378 N LEU A 23 8.552 -6.313 -0.273 1.00 0.00 N ATOM 379 CA LEU A 23 7.539 -6.816 -1.140 1.00 0.00 C ATOM 380 C LEU A 23 6.464 -5.769 -1.353 1.00 0.00 C ATOM 381 O LEU A 23 6.040 -5.567 -2.467 1.00 0.00 O ATOM 382 CB LEU A 23 6.966 -8.123 -0.602 1.00 0.00 C ATOM 383 CG LEU A 23 5.916 -8.828 -1.467 1.00 0.00 C ATOM 384 CD1 LEU A 23 6.445 -9.088 -2.870 1.00 0.00 C ATOM 385 CD2 LEU A 23 5.526 -10.135 -0.818 1.00 0.00 C ATOM 0 H LEU A 23 8.555 -6.727 0.659 1.00 0.00 H new ATOM 0 HA LEU A 23 7.982 -7.037 -2.111 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.793 -8.815 -0.441 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.523 -7.923 0.374 1.00 0.00 H new ATOM 0 HG LEU A 23 5.044 -8.179 -1.548 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.678 -9.589 -3.461 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.705 -8.141 -3.342 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.331 -9.721 -2.813 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.779 -10.638 -1.432 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.406 -10.771 -0.724 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.111 -9.941 0.171 1.00 0.00 H new ATOM 397 N VAL A 24 6.068 -5.068 -0.292 1.00 0.00 N ATOM 398 CA VAL A 24 5.057 -4.010 -0.423 1.00 0.00 C ATOM 399 C VAL A 24 5.602 -2.870 -1.257 1.00 0.00 C ATOM 400 O VAL A 24 4.914 -2.342 -2.129 1.00 0.00 O ATOM 401 CB VAL A 24 4.582 -3.477 0.948 1.00 0.00 C ATOM 402 CG1 VAL A 24 3.553 -2.357 0.786 1.00 0.00 C ATOM 403 CG2 VAL A 24 3.992 -4.597 1.752 1.00 0.00 C ATOM 0 H VAL A 24 6.422 -5.207 0.654 1.00 0.00 H new ATOM 0 HA VAL A 24 4.192 -4.451 -0.919 1.00 0.00 H new ATOM 0 HB VAL A 24 5.447 -3.067 1.469 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.240 -2.005 1.769 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.998 -1.532 0.230 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.686 -2.735 0.243 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.659 -4.216 2.717 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.143 -5.021 1.217 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.745 -5.369 1.907 1.00 0.00 H new ATOM 413 N MET A 25 6.856 -2.527 -1.015 1.00 0.00 N ATOM 414 CA MET A 25 7.525 -1.486 -1.777 1.00 0.00 C ATOM 415 C MET A 25 7.586 -1.880 -3.255 1.00 0.00 C ATOM 416 O MET A 25 7.400 -1.047 -4.137 1.00 0.00 O ATOM 417 CB MET A 25 8.917 -1.210 -1.195 1.00 0.00 C ATOM 418 CG MET A 25 9.717 -0.156 -1.938 1.00 0.00 C ATOM 419 SD MET A 25 11.297 0.228 -1.133 1.00 0.00 S ATOM 420 CE MET A 25 12.089 -1.385 -1.099 1.00 0.00 C ATOM 0 H MET A 25 7.434 -2.957 -0.293 1.00 0.00 H new ATOM 0 HA MET A 25 6.956 -0.559 -1.705 1.00 0.00 H new ATOM 0 HB2 MET A 25 8.806 -0.898 -0.157 1.00 0.00 H new ATOM 0 HB3 MET A 25 9.485 -2.141 -1.189 1.00 0.00 H new ATOM 0 HG2 MET A 25 9.907 -0.501 -2.954 1.00 0.00 H new ATOM 0 HG3 MET A 25 9.124 0.755 -2.016 1.00 0.00 H new ATOM 0 HE1 MET A 25 13.172 -1.259 -1.116 1.00 0.00 H new ATOM 0 HE2 MET A 25 11.799 -1.914 -0.191 1.00 0.00 H new ATOM 0 HE3 MET A 25 11.777 -1.962 -1.970 1.00 0.00 H new ATOM 430 N GLN A 26 7.788 -3.159 -3.501 1.00 0.00 N ATOM 431 CA GLN A 26 7.784 -3.702 -4.845 1.00 0.00 C ATOM 432 C GLN A 26 6.369 -3.672 -5.433 1.00 0.00 C ATOM 433 O GLN A 26 6.208 -3.352 -6.584 1.00 0.00 O ATOM 434 CB GLN A 26 8.352 -5.126 -4.851 1.00 0.00 C ATOM 435 CG GLN A 26 8.249 -5.854 -6.181 1.00 0.00 C ATOM 436 CD GLN A 26 8.823 -7.252 -6.126 1.00 0.00 C ATOM 437 OE1 GLN A 26 8.823 -7.909 -5.077 1.00 0.00 O ATOM 438 NE2 GLN A 26 9.299 -7.729 -7.239 1.00 0.00 N ATOM 0 H GLN A 26 7.960 -3.853 -2.773 1.00 0.00 H new ATOM 0 HA GLN A 26 8.423 -3.081 -5.472 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.401 -5.084 -4.558 1.00 0.00 H new ATOM 0 HB3 GLN A 26 7.832 -5.711 -4.093 1.00 0.00 H new ATOM 0 HG2 GLN A 26 7.203 -5.907 -6.482 1.00 0.00 H new ATOM 0 HG3 GLN A 26 8.772 -5.280 -6.946 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.283 -7.160 -8.086 1.00 0.00 H new ATOM 0 HE22 GLN A 26 9.688 -8.672 -7.265 1.00 0.00 H new ATOM 447 N ILE A 27 5.356 -3.999 -4.620 1.00 0.00 N ATOM 448 CA ILE A 27 3.942 -3.942 -5.056 1.00 0.00 C ATOM 449 C ILE A 27 3.637 -2.527 -5.544 1.00 0.00 C ATOM 450 O ILE A 27 3.083 -2.323 -6.635 1.00 0.00 O ATOM 451 CB ILE A 27 2.947 -4.289 -3.880 1.00 0.00 C ATOM 452 CG1 ILE A 27 3.162 -5.714 -3.325 1.00 0.00 C ATOM 453 CG2 ILE A 27 1.484 -4.086 -4.289 1.00 0.00 C ATOM 454 CD1 ILE A 27 2.921 -6.838 -4.305 1.00 0.00 C ATOM 0 H ILE A 27 5.483 -4.307 -3.656 1.00 0.00 H new ATOM 0 HA ILE A 27 3.804 -4.678 -5.848 1.00 0.00 H new ATOM 0 HB ILE A 27 3.175 -3.587 -3.078 1.00 0.00 H new ATOM 0 HG12 ILE A 27 4.185 -5.791 -2.956 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.503 -5.855 -2.469 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.834 -4.336 -3.451 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.327 -3.045 -4.573 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.250 -4.732 -5.135 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.100 -7.794 -3.813 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.890 -6.799 -4.658 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.599 -6.733 -5.152 1.00 0.00 H new ATOM 466 N LEU A 28 4.053 -1.568 -4.739 1.00 0.00 N ATOM 467 CA LEU A 28 3.880 -0.164 -5.021 1.00 0.00 C ATOM 468 C LEU A 28 4.623 0.234 -6.295 1.00 0.00 C ATOM 469 O LEU A 28 4.071 0.905 -7.152 1.00 0.00 O ATOM 470 CB LEU A 28 4.391 0.650 -3.834 1.00 0.00 C ATOM 471 CG LEU A 28 3.662 0.437 -2.503 1.00 0.00 C ATOM 472 CD1 LEU A 28 4.370 1.175 -1.388 1.00 0.00 C ATOM 473 CD2 LEU A 28 2.223 0.900 -2.599 1.00 0.00 C ATOM 0 H LEU A 28 4.529 -1.751 -3.856 1.00 0.00 H new ATOM 0 HA LEU A 28 2.820 0.039 -5.177 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.446 0.417 -3.688 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.331 1.707 -4.092 1.00 0.00 H new ATOM 0 HG LEU A 28 3.669 -0.630 -2.280 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.839 1.013 -0.450 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.391 0.803 -1.296 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.391 2.241 -1.613 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.725 0.739 -1.643 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.198 1.961 -2.848 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.709 0.333 -3.376 1.00 0.00 H new ATOM 485 N ASP A 29 5.850 -0.232 -6.422 1.00 0.00 N ATOM 486 CA ASP A 29 6.710 0.095 -7.571 1.00 0.00 C ATOM 487 C ASP A 29 6.153 -0.513 -8.840 1.00 0.00 C ATOM 488 O ASP A 29 6.026 0.152 -9.863 1.00 0.00 O ATOM 489 CB ASP A 29 8.115 -0.471 -7.355 1.00 0.00 C ATOM 490 CG ASP A 29 9.123 0.049 -8.371 1.00 0.00 C ATOM 491 OD1 ASP A 29 9.487 1.254 -8.311 1.00 0.00 O ATOM 492 OD2 ASP A 29 9.616 -0.743 -9.208 1.00 0.00 O ATOM 0 H ASP A 29 6.290 -0.848 -5.739 1.00 0.00 H new ATOM 0 HA ASP A 29 6.747 1.181 -7.662 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.454 -0.217 -6.351 1.00 0.00 H new ATOM 0 HB3 ASP A 29 8.076 -1.559 -7.412 1.00 0.00 H new ATOM 497 N GLU A 30 5.794 -1.773 -8.739 1.00 0.00 N ATOM 498 CA GLU A 30 5.331 -2.575 -9.852 1.00 0.00 C ATOM 499 C GLU A 30 4.031 -1.993 -10.455 1.00 0.00 C ATOM 500 O GLU A 30 3.879 -1.942 -11.686 1.00 0.00 O ATOM 501 CB GLU A 30 5.156 -4.027 -9.379 1.00 0.00 C ATOM 502 CG GLU A 30 5.216 -5.086 -10.462 1.00 0.00 C ATOM 503 CD GLU A 30 5.163 -6.489 -9.884 1.00 0.00 C ATOM 504 OE1 GLU A 30 6.216 -7.025 -9.460 1.00 0.00 O ATOM 505 OE2 GLU A 30 4.090 -7.089 -9.841 1.00 0.00 O ATOM 0 H GLU A 30 5.816 -2.283 -7.856 1.00 0.00 H new ATOM 0 HA GLU A 30 6.071 -2.558 -10.652 1.00 0.00 H new ATOM 0 HB2 GLU A 30 5.929 -4.244 -8.641 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.196 -4.110 -8.869 1.00 0.00 H new ATOM 0 HG2 GLU A 30 4.385 -4.946 -11.153 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.133 -4.965 -11.038 1.00 0.00 H new ATOM 512 N ILE A 31 3.107 -1.530 -9.597 1.00 0.00 N ATOM 513 CA ILE A 31 1.888 -0.888 -10.096 1.00 0.00 C ATOM 514 C ILE A 31 2.215 0.502 -10.647 1.00 0.00 C ATOM 515 O ILE A 31 1.715 0.886 -11.687 1.00 0.00 O ATOM 516 CB ILE A 31 0.740 -0.759 -9.027 1.00 0.00 C ATOM 517 CG1 ILE A 31 1.152 0.130 -7.844 1.00 0.00 C ATOM 518 CG2 ILE A 31 0.300 -2.121 -8.534 1.00 0.00 C ATOM 519 CD1 ILE A 31 0.052 0.398 -6.855 1.00 0.00 C ATOM 0 H ILE A 31 3.180 -1.587 -8.581 1.00 0.00 H new ATOM 0 HA ILE A 31 1.512 -1.545 -10.881 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.103 -0.279 -9.524 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.985 -0.342 -7.323 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.516 1.082 -8.230 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.494 -2.002 -7.797 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.070 -2.710 -9.373 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.146 -2.633 -8.077 1.00 0.00 H new ATOM 0 HD11 ILE A 31 0.430 1.033 -6.054 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.774 0.901 -7.357 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.298 -0.545 -6.436 1.00 0.00 H new ATOM 531 N GLU A 32 3.089 1.228 -9.947 1.00 0.00 N ATOM 532 CA GLU A 32 3.474 2.572 -10.320 1.00 0.00 C ATOM 533 C GLU A 32 4.137 2.601 -11.697 1.00 0.00 C ATOM 534 O GLU A 32 3.740 3.381 -12.569 1.00 0.00 O ATOM 535 CB GLU A 32 4.398 3.168 -9.257 1.00 0.00 C ATOM 536 CG GLU A 32 4.874 4.551 -9.581 1.00 0.00 C ATOM 537 CD GLU A 32 5.813 5.122 -8.560 1.00 0.00 C ATOM 538 OE1 GLU A 32 7.028 4.841 -8.649 1.00 0.00 O ATOM 539 OE2 GLU A 32 5.388 5.900 -7.699 1.00 0.00 O ATOM 0 H GLU A 32 3.547 0.889 -9.101 1.00 0.00 H new ATOM 0 HA GLU A 32 2.572 3.180 -10.381 1.00 0.00 H new ATOM 0 HB2 GLU A 32 3.873 3.188 -8.302 1.00 0.00 H new ATOM 0 HB3 GLU A 32 5.262 2.516 -9.132 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.372 4.536 -10.551 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.011 5.210 -9.676 1.00 0.00 H new ATOM 546 N LEU A 33 5.111 1.730 -11.901 1.00 0.00 N ATOM 547 CA LEU A 33 5.825 1.657 -13.169 1.00 0.00 C ATOM 548 C LEU A 33 4.885 1.279 -14.309 1.00 0.00 C ATOM 549 O LEU A 33 5.051 1.728 -15.442 1.00 0.00 O ATOM 550 CB LEU A 33 7.081 0.728 -13.079 1.00 0.00 C ATOM 551 CG LEU A 33 6.886 -0.786 -12.789 1.00 0.00 C ATOM 552 CD1 LEU A 33 6.419 -1.559 -14.010 1.00 0.00 C ATOM 553 CD2 LEU A 33 8.159 -1.398 -12.239 1.00 0.00 C ATOM 0 H LEU A 33 5.428 1.059 -11.201 1.00 0.00 H new ATOM 0 HA LEU A 33 6.207 2.652 -13.396 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.621 0.814 -14.022 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.731 1.130 -12.302 1.00 0.00 H new ATOM 0 HG LEU A 33 6.099 -0.860 -12.038 1.00 0.00 H new ATOM 0 HD11 LEU A 33 6.299 -2.611 -13.751 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.465 -1.158 -14.351 1.00 0.00 H new ATOM 0 HD13 LEU A 33 7.158 -1.463 -14.806 1.00 0.00 H new ATOM 0 HD21 LEU A 33 7.998 -2.458 -12.044 1.00 0.00 H new ATOM 0 HD22 LEU A 33 8.963 -1.281 -12.966 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.433 -0.896 -11.311 1.00 0.00 H new ATOM 565 N ASP A 34 3.872 0.484 -13.995 1.00 0.00 N ATOM 566 CA ASP A 34 2.900 0.085 -14.991 1.00 0.00 C ATOM 567 C ASP A 34 1.963 1.239 -15.283 1.00 0.00 C ATOM 568 O ASP A 34 1.724 1.557 -16.426 1.00 0.00 O ATOM 569 CB ASP A 34 2.121 -1.162 -14.555 1.00 0.00 C ATOM 570 CG ASP A 34 1.139 -1.635 -15.612 1.00 0.00 C ATOM 571 OD1 ASP A 34 1.584 -2.183 -16.647 1.00 0.00 O ATOM 572 OD2 ASP A 34 -0.076 -1.471 -15.432 1.00 0.00 O ATOM 0 H ASP A 34 3.706 0.107 -13.062 1.00 0.00 H new ATOM 0 HA ASP A 34 3.433 -0.178 -15.905 1.00 0.00 H new ATOM 0 HB2 ASP A 34 2.823 -1.965 -14.331 1.00 0.00 H new ATOM 0 HB3 ASP A 34 1.581 -0.945 -13.633 1.00 0.00 H new ATOM 577 N LEU A 35 1.506 1.905 -14.227 1.00 0.00 N ATOM 578 CA LEU A 35 0.590 3.062 -14.296 1.00 0.00 C ATOM 579 C LEU A 35 1.066 4.142 -15.285 1.00 0.00 C ATOM 580 O LEU A 35 0.245 4.785 -15.954 1.00 0.00 O ATOM 581 CB LEU A 35 0.401 3.666 -12.892 1.00 0.00 C ATOM 582 CG LEU A 35 -0.450 4.944 -12.782 1.00 0.00 C ATOM 583 CD1 LEU A 35 -1.862 4.719 -13.302 1.00 0.00 C ATOM 584 CD2 LEU A 35 -0.479 5.433 -11.343 1.00 0.00 C ATOM 0 H LEU A 35 1.763 1.657 -13.272 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.365 2.694 -14.670 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.050 2.905 -12.255 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.388 3.881 -12.482 1.00 0.00 H new ATOM 0 HG LEU A 35 0.011 5.711 -13.405 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.435 5.642 -13.209 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.821 4.421 -14.350 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.343 3.933 -12.720 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.084 6.337 -11.278 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.910 4.661 -10.705 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.536 5.651 -11.012 1.00 0.00 H new ATOM 664 N ILE A 41 -4.585 2.562 -12.929 1.00 0.00 N ATOM 665 CA ILE A 41 -3.888 1.995 -11.799 1.00 0.00 C ATOM 666 C ILE A 41 -4.556 0.682 -11.353 1.00 0.00 C ATOM 667 O ILE A 41 -3.886 -0.220 -10.873 1.00 0.00 O ATOM 668 CB ILE A 41 -3.793 2.997 -10.603 1.00 0.00 C ATOM 669 CG1 ILE A 41 -3.075 2.346 -9.399 1.00 0.00 C ATOM 670 CG2 ILE A 41 -5.173 3.529 -10.220 1.00 0.00 C ATOM 671 CD1 ILE A 41 -2.924 3.236 -8.190 1.00 0.00 C ATOM 0 HA ILE A 41 -2.870 1.780 -12.123 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.195 3.852 -10.920 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.626 1.452 -9.107 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.085 2.021 -9.718 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.076 4.224 -9.386 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.613 4.045 -11.073 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.815 2.698 -9.928 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.409 2.691 -7.399 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.345 4.119 -8.459 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.909 3.542 -7.838 1.00 0.00 H new ATOM 683 N LYS A 42 -5.880 0.563 -11.544 1.00 0.00 N ATOM 684 CA LYS A 42 -6.572 -0.668 -11.165 1.00 0.00 C ATOM 685 C LYS A 42 -6.101 -1.817 -12.054 1.00 0.00 C ATOM 686 O LYS A 42 -5.968 -2.947 -11.602 1.00 0.00 O ATOM 687 CB LYS A 42 -8.109 -0.532 -11.221 1.00 0.00 C ATOM 688 CG LYS A 42 -8.687 -0.385 -12.615 1.00 0.00 C ATOM 689 CD LYS A 42 -10.194 -0.313 -12.595 1.00 0.00 C ATOM 690 CE LYS A 42 -10.735 -0.269 -14.003 1.00 0.00 C ATOM 691 NZ LYS A 42 -12.205 -0.207 -14.042 1.00 0.00 N ATOM 0 H LYS A 42 -6.475 1.286 -11.948 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.319 -0.878 -10.126 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.554 -1.408 -10.750 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.404 0.334 -10.628 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.287 0.516 -13.081 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.372 -1.229 -13.229 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.599 -1.178 -12.069 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.515 0.573 -12.047 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.324 0.599 -14.519 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -10.398 -1.152 -14.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -12.525 -0.179 -15.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -12.600 -1.047 -13.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -12.530 0.649 -13.548 1.00 0.00 H new ATOM 705 N THR A 43 -5.814 -1.496 -13.309 1.00 0.00 N ATOM 706 CA THR A 43 -5.298 -2.448 -14.255 1.00 0.00 C ATOM 707 C THR A 43 -3.926 -2.908 -13.773 1.00 0.00 C ATOM 708 O THR A 43 -3.621 -4.114 -13.750 1.00 0.00 O ATOM 709 CB THR A 43 -5.166 -1.788 -15.634 1.00 0.00 C ATOM 710 OG1 THR A 43 -6.383 -1.076 -15.927 1.00 0.00 O ATOM 711 CG2 THR A 43 -4.926 -2.837 -16.706 1.00 0.00 C ATOM 0 H THR A 43 -5.937 -0.558 -13.691 1.00 0.00 H new ATOM 0 HA THR A 43 -5.973 -3.300 -14.336 1.00 0.00 H new ATOM 0 HB THR A 43 -4.319 -1.102 -15.622 1.00 0.00 H new ATOM 0 HG1 THR A 43 -6.309 -0.649 -16.806 1.00 0.00 H new ATOM 0 HG21 THR A 43 -4.835 -2.351 -17.677 1.00 0.00 H new ATOM 0 HG22 THR A 43 -4.007 -3.380 -16.485 1.00 0.00 H new ATOM 0 HG23 THR A 43 -5.763 -3.534 -16.727 1.00 0.00 H new ATOM 719 N SER A 44 -3.124 -1.938 -13.351 1.00 0.00 N ATOM 720 CA SER A 44 -1.814 -2.203 -12.781 1.00 0.00 C ATOM 721 C SER A 44 -1.932 -3.136 -11.555 1.00 0.00 C ATOM 722 O SER A 44 -1.139 -4.079 -11.392 1.00 0.00 O ATOM 723 CB SER A 44 -1.162 -0.886 -12.394 1.00 0.00 C ATOM 724 OG SER A 44 -1.144 -0.003 -13.504 1.00 0.00 O ATOM 0 H SER A 44 -3.365 -0.948 -13.395 1.00 0.00 H new ATOM 0 HA SER A 44 -1.193 -2.706 -13.522 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.707 -0.431 -11.567 1.00 0.00 H new ATOM 0 HB3 SER A 44 -0.145 -1.064 -12.045 1.00 0.00 H new ATOM 0 HG SER A 44 -0.592 -0.386 -14.218 1.00 0.00 H new ATOM 730 N ILE A 45 -2.951 -2.877 -10.723 1.00 0.00 N ATOM 731 CA ILE A 45 -3.259 -3.692 -9.542 1.00 0.00 C ATOM 732 C ILE A 45 -3.455 -5.160 -9.950 1.00 0.00 C ATOM 733 O ILE A 45 -2.898 -6.062 -9.319 1.00 0.00 O ATOM 734 CB ILE A 45 -4.561 -3.178 -8.808 1.00 0.00 C ATOM 735 CG1 ILE A 45 -4.389 -1.751 -8.239 1.00 0.00 C ATOM 736 CG2 ILE A 45 -5.029 -4.133 -7.713 1.00 0.00 C ATOM 737 CD1 ILE A 45 -3.337 -1.617 -7.158 1.00 0.00 C ATOM 0 H ILE A 45 -3.588 -2.091 -10.853 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.418 -3.607 -8.854 1.00 0.00 H new ATOM 0 HB ILE A 45 -5.336 -3.144 -9.574 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.135 -1.078 -9.058 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -5.346 -1.418 -7.837 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -5.926 -3.733 -7.240 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -5.252 -5.106 -8.150 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -4.243 -4.242 -6.965 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.290 -0.581 -6.822 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -3.596 -2.260 -6.317 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -2.367 -1.914 -7.556 1.00 0.00 H new ATOM 749 N ILE A 46 -4.204 -5.371 -11.035 1.00 0.00 N ATOM 750 CA ILE A 46 -4.528 -6.711 -11.546 1.00 0.00 C ATOM 751 C ILE A 46 -3.276 -7.565 -11.738 1.00 0.00 C ATOM 752 O ILE A 46 -3.210 -8.688 -11.220 1.00 0.00 O ATOM 753 CB ILE A 46 -5.307 -6.653 -12.900 1.00 0.00 C ATOM 754 CG1 ILE A 46 -6.604 -5.857 -12.740 1.00 0.00 C ATOM 755 CG2 ILE A 46 -5.608 -8.065 -13.423 1.00 0.00 C ATOM 756 CD1 ILE A 46 -7.396 -5.695 -14.022 1.00 0.00 C ATOM 0 H ILE A 46 -4.606 -4.615 -11.589 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.165 -7.169 -10.789 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.675 -6.147 -13.630 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -7.232 -6.352 -11.999 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -6.365 -4.869 -12.347 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.150 -7.996 -14.366 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.672 -8.602 -13.581 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -6.215 -8.601 -12.694 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -8.300 -5.119 -13.821 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -6.789 -5.172 -14.761 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -7.670 -6.677 -14.407 1.00 0.00 H new ATOM 768 N TYR A 47 -2.281 -7.019 -12.440 1.00 0.00 N ATOM 769 CA TYR A 47 -1.064 -7.777 -12.756 1.00 0.00 C ATOM 770 C TYR A 47 -0.317 -8.141 -11.492 1.00 0.00 C ATOM 771 O TYR A 47 -0.028 -9.305 -11.232 1.00 0.00 O ATOM 772 CB TYR A 47 -0.103 -6.965 -13.623 1.00 0.00 C ATOM 773 CG TYR A 47 -0.700 -6.335 -14.840 1.00 0.00 C ATOM 774 CD1 TYR A 47 -1.141 -7.095 -15.910 1.00 0.00 C ATOM 775 CD2 TYR A 47 -0.812 -4.970 -14.915 1.00 0.00 C ATOM 776 CE1 TYR A 47 -1.684 -6.492 -17.023 1.00 0.00 C ATOM 777 CE2 TYR A 47 -1.347 -4.354 -16.012 1.00 0.00 C ATOM 778 CZ TYR A 47 -1.786 -5.118 -17.071 1.00 0.00 C ATOM 779 OH TYR A 47 -2.314 -4.507 -18.191 1.00 0.00 O ATOM 0 H TYR A 47 -2.291 -6.064 -12.799 1.00 0.00 H new ATOM 0 HA TYR A 47 -1.389 -8.670 -13.291 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.336 -6.179 -13.008 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.712 -7.617 -13.937 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.058 -8.171 -15.872 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -0.469 -4.367 -14.087 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.028 -7.092 -17.853 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -1.425 -3.277 -16.048 1.00 0.00 H new ATOM 0 HH TYR A 47 -2.316 -3.535 -18.063 1.00 0.00 H new ATOM 789 N VAL A 48 -0.060 -7.135 -10.696 1.00 0.00 N ATOM 790 CA VAL A 48 0.748 -7.249 -9.501 1.00 0.00 C ATOM 791 C VAL A 48 0.126 -8.199 -8.476 1.00 0.00 C ATOM 792 O VAL A 48 0.817 -9.058 -7.901 1.00 0.00 O ATOM 793 CB VAL A 48 0.987 -5.847 -8.894 1.00 0.00 C ATOM 794 CG1 VAL A 48 1.861 -5.907 -7.658 1.00 0.00 C ATOM 795 CG2 VAL A 48 1.614 -4.950 -9.945 1.00 0.00 C ATOM 0 H VAL A 48 -0.412 -6.192 -10.861 1.00 0.00 H new ATOM 0 HA VAL A 48 1.709 -7.681 -9.782 1.00 0.00 H new ATOM 0 HB VAL A 48 0.025 -5.438 -8.584 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.003 -4.901 -7.264 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.380 -6.528 -6.902 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.829 -6.335 -7.917 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.785 -3.960 -9.523 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.564 -5.376 -10.267 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.944 -4.869 -10.801 1.00 0.00 H new ATOM 805 N TYR A 49 -1.168 -8.087 -8.282 1.00 0.00 N ATOM 806 CA TYR A 49 -1.868 -8.921 -7.341 1.00 0.00 C ATOM 807 C TYR A 49 -1.989 -10.346 -7.851 1.00 0.00 C ATOM 808 O TYR A 49 -1.961 -11.279 -7.071 1.00 0.00 O ATOM 809 CB TYR A 49 -3.234 -8.321 -6.969 1.00 0.00 C ATOM 810 CG TYR A 49 -3.150 -7.081 -6.073 1.00 0.00 C ATOM 811 CD1 TYR A 49 -2.158 -6.116 -6.254 1.00 0.00 C ATOM 812 CD2 TYR A 49 -4.051 -6.892 -5.039 1.00 0.00 C ATOM 813 CE1 TYR A 49 -2.073 -5.012 -5.444 1.00 0.00 C ATOM 814 CE2 TYR A 49 -3.971 -5.782 -4.221 1.00 0.00 C ATOM 815 CZ TYR A 49 -2.978 -4.846 -4.430 1.00 0.00 C ATOM 816 OH TYR A 49 -2.887 -3.744 -3.618 1.00 0.00 O ATOM 0 H TYR A 49 -1.761 -7.417 -8.772 1.00 0.00 H new ATOM 0 HA TYR A 49 -1.278 -8.959 -6.425 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -3.765 -8.059 -7.884 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -3.827 -9.082 -6.463 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -1.440 -6.241 -7.051 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -4.828 -7.623 -4.870 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -1.297 -4.278 -5.605 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -4.683 -5.647 -3.420 1.00 0.00 H new ATOM 0 HH TYR A 49 -3.592 -3.779 -2.938 1.00 0.00 H new ATOM 826 N SER A 50 -2.078 -10.504 -9.167 1.00 0.00 N ATOM 827 CA SER A 50 -2.137 -11.821 -9.774 1.00 0.00 C ATOM 828 C SER A 50 -0.751 -12.472 -9.712 1.00 0.00 C ATOM 829 O SER A 50 -0.620 -13.688 -9.609 1.00 0.00 O ATOM 830 CB SER A 50 -2.626 -11.720 -11.235 1.00 0.00 C ATOM 831 OG SER A 50 -2.807 -12.998 -11.826 1.00 0.00 O ATOM 0 H SER A 50 -2.111 -9.732 -9.832 1.00 0.00 H new ATOM 0 HA SER A 50 -2.846 -12.439 -9.224 1.00 0.00 H new ATOM 0 HB2 SER A 50 -3.567 -11.170 -11.265 1.00 0.00 H new ATOM 0 HB3 SER A 50 -1.905 -11.149 -11.820 1.00 0.00 H new ATOM 0 HG SER A 50 -3.118 -12.890 -12.749 1.00 0.00 H new ATOM 837 N SER A 51 0.267 -11.656 -9.771 1.00 0.00 N ATOM 838 CA SER A 51 1.619 -12.120 -9.699 1.00 0.00 C ATOM 839 C SER A 51 1.961 -12.541 -8.277 1.00 0.00 C ATOM 840 O SER A 51 2.364 -13.671 -8.030 1.00 0.00 O ATOM 841 CB SER A 51 2.574 -11.012 -10.179 1.00 0.00 C ATOM 842 OG SER A 51 3.944 -11.398 -10.084 1.00 0.00 O ATOM 0 H SER A 51 0.177 -10.645 -9.871 1.00 0.00 H new ATOM 0 HA SER A 51 1.732 -12.989 -10.347 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.341 -10.758 -11.213 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.410 -10.112 -9.586 1.00 0.00 H new ATOM 0 HG SER A 51 4.513 -10.666 -10.401 1.00 0.00 H new ATOM 848 N HIS A 52 1.739 -11.665 -7.337 1.00 0.00 N ATOM 849 CA HIS A 52 2.181 -11.908 -5.975 1.00 0.00 C ATOM 850 C HIS A 52 1.013 -12.386 -5.105 1.00 0.00 C ATOM 851 O HIS A 52 0.902 -11.994 -3.936 1.00 0.00 O ATOM 852 CB HIS A 52 2.835 -10.630 -5.384 1.00 0.00 C ATOM 853 CG HIS A 52 3.945 -10.018 -6.234 1.00 0.00 C ATOM 854 ND1 HIS A 52 5.268 -10.436 -6.217 1.00 0.00 N ATOM 855 CD2 HIS A 52 3.903 -8.993 -7.123 1.00 0.00 C ATOM 856 CE1 HIS A 52 5.972 -9.686 -7.052 1.00 0.00 C ATOM 857 NE2 HIS A 52 5.166 -8.811 -7.608 1.00 0.00 N ATOM 0 H HIS A 52 1.257 -10.777 -7.479 1.00 0.00 H new ATOM 0 HA HIS A 52 2.932 -12.698 -5.987 1.00 0.00 H new ATOM 0 HB2 HIS A 52 2.059 -9.880 -5.233 1.00 0.00 H new ATOM 0 HB3 HIS A 52 3.241 -10.870 -4.401 1.00 0.00 H new ATOM 0 HD2 HIS A 52 3.027 -8.424 -7.397 1.00 0.00 H new ATOM 0 HE1 HIS A 52 7.031 -9.779 -7.243 1.00 0.00 H new ATOM 0 HE2 HIS A 52 5.440 -8.107 -8.293 1.00 0.00 H new ATOM 866 N LEU A 53 0.194 -13.294 -5.675 1.00 0.00 N ATOM 867 CA LEU A 53 -1.013 -13.871 -5.020 1.00 0.00 C ATOM 868 C LEU A 53 -0.744 -14.367 -3.613 1.00 0.00 C ATOM 869 O LEU A 53 -1.574 -14.191 -2.727 1.00 0.00 O ATOM 870 CB LEU A 53 -1.571 -15.049 -5.833 1.00 0.00 C ATOM 871 CG LEU A 53 -2.248 -14.737 -7.159 1.00 0.00 C ATOM 872 CD1 LEU A 53 -2.518 -16.027 -7.914 1.00 0.00 C ATOM 873 CD2 LEU A 53 -3.559 -14.002 -6.927 1.00 0.00 C ATOM 0 H LEU A 53 0.349 -13.656 -6.616 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.734 -13.055 -4.973 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.750 -15.739 -6.030 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.289 -15.578 -5.207 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.586 -14.101 -7.746 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.003 -15.798 -8.863 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.576 -16.542 -8.103 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.169 -16.667 -7.319 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.030 -13.787 -7.886 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.224 -14.624 -6.328 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.364 -13.068 -6.401 1.00 0.00 H new ATOM 885 N ASP A 54 0.418 -14.966 -3.422 1.00 0.00 N ATOM 886 CA ASP A 54 0.826 -15.547 -2.140 1.00 0.00 C ATOM 887 C ASP A 54 0.717 -14.557 -0.973 1.00 0.00 C ATOM 888 O ASP A 54 0.115 -14.874 0.056 1.00 0.00 O ATOM 889 CB ASP A 54 2.249 -16.103 -2.253 1.00 0.00 C ATOM 890 CG ASP A 54 2.817 -16.595 -0.944 1.00 0.00 C ATOM 891 OD1 ASP A 54 2.299 -17.592 -0.376 1.00 0.00 O ATOM 892 OD2 ASP A 54 3.833 -16.037 -0.489 1.00 0.00 O ATOM 0 H ASP A 54 1.118 -15.068 -4.157 1.00 0.00 H new ATOM 0 HA ASP A 54 0.134 -16.358 -1.915 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.253 -16.923 -2.971 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.902 -15.327 -2.653 1.00 0.00 H new ATOM 897 N GLU A 55 1.276 -13.384 -1.122 1.00 0.00 N ATOM 898 CA GLU A 55 1.159 -12.382 -0.081 1.00 0.00 C ATOM 899 C GLU A 55 -0.247 -11.751 -0.070 1.00 0.00 C ATOM 900 O GLU A 55 -0.786 -11.437 0.989 1.00 0.00 O ATOM 901 CB GLU A 55 2.266 -11.340 -0.181 1.00 0.00 C ATOM 902 CG GLU A 55 2.305 -10.340 0.976 1.00 0.00 C ATOM 903 CD GLU A 55 2.384 -10.997 2.350 1.00 0.00 C ATOM 904 OE1 GLU A 55 3.419 -11.618 2.676 1.00 0.00 O ATOM 905 OE2 GLU A 55 1.438 -10.877 3.143 1.00 0.00 O ATOM 0 H GLU A 55 1.811 -13.096 -1.941 1.00 0.00 H new ATOM 0 HA GLU A 55 1.289 -12.880 0.880 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.226 -11.853 -0.233 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.147 -10.791 -1.115 1.00 0.00 H new ATOM 0 HG2 GLU A 55 3.164 -9.682 0.847 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.414 -9.713 0.933 1.00 0.00 H new ATOM 912 N ILE A 56 -0.851 -11.613 -1.256 1.00 0.00 N ATOM 913 CA ILE A 56 -2.185 -10.993 -1.381 1.00 0.00 C ATOM 914 C ILE A 56 -3.224 -11.792 -0.579 1.00 0.00 C ATOM 915 O ILE A 56 -4.045 -11.227 0.121 1.00 0.00 O ATOM 916 CB ILE A 56 -2.673 -10.884 -2.869 1.00 0.00 C ATOM 917 CG1 ILE A 56 -1.642 -10.166 -3.767 1.00 0.00 C ATOM 918 CG2 ILE A 56 -4.031 -10.171 -2.955 1.00 0.00 C ATOM 919 CD1 ILE A 56 -1.239 -8.780 -3.310 1.00 0.00 C ATOM 0 H ILE A 56 -0.445 -11.918 -2.140 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.088 -9.982 -0.985 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.785 -11.904 -3.237 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.747 -10.784 -3.830 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.051 -10.094 -4.775 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.344 -10.110 -3.997 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.773 -10.731 -2.385 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.941 -9.166 -2.544 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.513 -8.364 -4.008 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.119 -8.138 -3.276 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.795 -8.839 -2.316 1.00 0.00 H new ATOM 931 N ARG A 57 -3.144 -13.110 -0.670 1.00 0.00 N ATOM 932 CA ARG A 57 -4.069 -13.986 0.045 1.00 0.00 C ATOM 933 C ARG A 57 -3.785 -13.978 1.540 1.00 0.00 C ATOM 934 O ARG A 57 -4.706 -14.077 2.351 1.00 0.00 O ATOM 935 CB ARG A 57 -4.032 -15.425 -0.504 1.00 0.00 C ATOM 936 CG ARG A 57 -2.663 -16.053 -0.405 1.00 0.00 C ATOM 937 CD ARG A 57 -2.599 -17.463 -0.921 1.00 0.00 C ATOM 938 NE ARG A 57 -1.212 -17.948 -0.888 1.00 0.00 N ATOM 939 CZ ARG A 57 -0.746 -19.027 -1.528 1.00 0.00 C ATOM 940 NH1 ARG A 57 -1.566 -19.796 -2.235 1.00 0.00 N ATOM 941 NH2 ARG A 57 0.551 -19.316 -1.471 1.00 0.00 N ATOM 0 H ARG A 57 -2.448 -13.601 -1.232 1.00 0.00 H new ATOM 0 HA ARG A 57 -5.073 -13.594 -0.118 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -4.748 -16.037 0.045 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -4.350 -15.420 -1.547 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -1.953 -15.441 -0.961 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -2.345 -16.044 0.637 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -3.234 -18.110 -0.315 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -2.983 -17.504 -1.940 1.00 0.00 H new ATOM 0 HE ARG A 57 -0.546 -17.415 -0.328 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -2.558 -19.566 -2.293 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -1.204 -20.617 -2.720 1.00 0.00 H new ATOM 0 HH21 ARG A 57 1.184 -18.717 -0.942 1.00 0.00 H new ATOM 0 HH22 ARG A 57 0.912 -20.137 -1.957 1.00 0.00 H new ATOM 955 N LYS A 58 -2.520 -13.841 1.885 1.00 0.00 N ATOM 956 CA LYS A 58 -2.075 -13.809 3.254 1.00 0.00 C ATOM 957 C LYS A 58 -2.604 -12.548 3.936 1.00 0.00 C ATOM 958 O LYS A 58 -3.280 -12.618 4.974 1.00 0.00 O ATOM 959 CB LYS A 58 -0.535 -13.924 3.266 1.00 0.00 C ATOM 960 CG LYS A 58 0.179 -13.667 4.584 1.00 0.00 C ATOM 961 CD LYS A 58 1.649 -14.078 4.466 1.00 0.00 C ATOM 962 CE LYS A 58 2.522 -13.454 5.546 1.00 0.00 C ATOM 963 NZ LYS A 58 2.728 -12.012 5.307 1.00 0.00 N ATOM 0 H LYS A 58 -1.764 -13.748 1.207 1.00 0.00 H new ATOM 0 HA LYS A 58 -2.469 -14.649 3.826 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.270 -14.927 2.930 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.140 -13.226 2.528 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.107 -12.612 4.847 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -0.302 -14.229 5.384 1.00 0.00 H new ATOM 0 HD2 LYS A 58 1.724 -15.164 4.526 1.00 0.00 H new ATOM 0 HD3 LYS A 58 2.026 -13.786 3.486 1.00 0.00 H new ATOM 0 HE2 LYS A 58 2.057 -13.600 6.521 1.00 0.00 H new ATOM 0 HE3 LYS A 58 3.487 -13.961 5.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 2.684 -11.500 6.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.660 -11.862 4.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 1.986 -11.656 4.671 1.00 0.00 H new ATOM 977 N ASN A 59 -2.399 -11.422 3.308 1.00 0.00 N ATOM 978 CA ASN A 59 -2.873 -10.165 3.854 1.00 0.00 C ATOM 979 C ASN A 59 -3.914 -9.563 2.991 1.00 0.00 C ATOM 980 O ASN A 59 -3.780 -8.444 2.480 1.00 0.00 O ATOM 981 CB ASN A 59 -1.760 -9.184 4.179 1.00 0.00 C ATOM 982 CG ASN A 59 -1.057 -9.571 5.431 1.00 0.00 C ATOM 983 OD1 ASN A 59 -1.469 -9.191 6.508 1.00 0.00 O ATOM 984 ND2 ASN A 59 0.013 -10.283 5.321 1.00 0.00 N ATOM 0 H ASN A 59 -1.908 -11.342 2.418 1.00 0.00 H new ATOM 0 HA ASN A 59 -3.332 -10.404 4.813 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.048 -9.150 3.354 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -2.174 -8.181 4.285 1.00 0.00 H new ATOM 0 HD21 ASN A 59 0.540 -10.543 6.154 1.00 0.00 H new ATOM 0 HD22 ASN A 59 0.332 -10.586 4.401 1.00 0.00 H new ATOM 991 N LYS A 60 -4.969 -10.313 2.845 1.00 0.00 N ATOM 992 CA LYS A 60 -6.088 -9.961 1.999 1.00 0.00 C ATOM 993 C LYS A 60 -6.678 -8.599 2.357 1.00 0.00 C ATOM 994 O LYS A 60 -7.024 -7.839 1.476 1.00 0.00 O ATOM 995 CB LYS A 60 -7.184 -11.063 1.992 1.00 0.00 C ATOM 996 CG LYS A 60 -8.019 -11.216 3.280 1.00 0.00 C ATOM 997 CD LYS A 60 -7.209 -11.650 4.517 1.00 0.00 C ATOM 998 CE LYS A 60 -6.759 -13.097 4.450 1.00 0.00 C ATOM 999 NZ LYS A 60 -5.881 -13.473 5.588 1.00 0.00 N ATOM 0 H LYS A 60 -5.084 -11.209 3.320 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.693 -9.886 0.986 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.866 -10.860 1.166 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.704 -12.019 1.782 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -8.508 -10.266 3.496 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -8.807 -11.947 3.102 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -6.334 -11.007 4.616 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -7.815 -11.504 5.411 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -7.634 -13.746 4.441 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -6.227 -13.266 3.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -6.017 -14.479 5.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -4.887 -13.308 5.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -6.123 -12.896 6.419 1.00 0.00 H new ATOM 1013 N GLU A 61 -6.728 -8.282 3.650 1.00 0.00 N ATOM 1014 CA GLU A 61 -7.295 -7.033 4.118 1.00 0.00 C ATOM 1015 C GLU A 61 -6.400 -5.871 3.760 1.00 0.00 C ATOM 1016 O GLU A 61 -6.876 -4.821 3.326 1.00 0.00 O ATOM 1017 CB GLU A 61 -7.460 -7.084 5.611 1.00 0.00 C ATOM 1018 CG GLU A 61 -8.387 -8.165 6.090 1.00 0.00 C ATOM 1019 CD GLU A 61 -8.347 -8.294 7.571 1.00 0.00 C ATOM 1020 OE1 GLU A 61 -9.037 -7.529 8.262 1.00 0.00 O ATOM 1021 OE2 GLU A 61 -7.614 -9.176 8.069 1.00 0.00 O ATOM 0 H GLU A 61 -6.377 -8.885 4.394 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.264 -6.893 3.638 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -6.482 -7.230 6.069 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -7.833 -6.120 5.957 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -9.405 -7.943 5.770 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -8.109 -9.114 5.632 1.00 0.00 H new ATOM 1028 N PHE A 62 -5.099 -6.080 3.918 1.00 0.00 N ATOM 1029 CA PHE A 62 -4.116 -5.052 3.650 1.00 0.00 C ATOM 1030 C PHE A 62 -4.172 -4.683 2.185 1.00 0.00 C ATOM 1031 O PHE A 62 -4.362 -3.528 1.838 1.00 0.00 O ATOM 1032 CB PHE A 62 -2.707 -5.556 4.028 1.00 0.00 C ATOM 1033 CG PHE A 62 -1.595 -4.544 3.866 1.00 0.00 C ATOM 1034 CD1 PHE A 62 -1.393 -3.558 4.816 1.00 0.00 C ATOM 1035 CD2 PHE A 62 -0.754 -4.583 2.764 1.00 0.00 C ATOM 1036 CE1 PHE A 62 -0.380 -2.634 4.671 1.00 0.00 C ATOM 1037 CE2 PHE A 62 0.258 -3.662 2.617 1.00 0.00 C ATOM 1038 CZ PHE A 62 0.445 -2.685 3.568 1.00 0.00 C ATOM 0 H PHE A 62 -4.702 -6.965 4.234 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.335 -4.169 4.250 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -2.724 -5.890 5.066 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -2.475 -6.428 3.417 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -2.037 -3.512 5.682 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -0.895 -5.345 2.012 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.233 -1.871 5.421 1.00 0.00 H new ATOM 0 HE2 PHE A 62 0.906 -3.706 1.754 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.237 -1.960 3.450 1.00 0.00 H new ATOM 1048 N TYR A 63 -4.102 -5.689 1.341 1.00 0.00 N ATOM 1049 CA TYR A 63 -4.081 -5.489 -0.089 1.00 0.00 C ATOM 1050 C TYR A 63 -5.427 -5.081 -0.667 1.00 0.00 C ATOM 1051 O TYR A 63 -5.491 -4.441 -1.705 1.00 0.00 O ATOM 1052 CB TYR A 63 -3.452 -6.680 -0.798 1.00 0.00 C ATOM 1053 CG TYR A 63 -1.990 -6.818 -0.436 1.00 0.00 C ATOM 1054 CD1 TYR A 63 -1.034 -6.006 -1.032 1.00 0.00 C ATOM 1055 CD2 TYR A 63 -1.570 -7.728 0.515 1.00 0.00 C ATOM 1056 CE1 TYR A 63 0.298 -6.100 -0.688 1.00 0.00 C ATOM 1057 CE2 TYR A 63 -0.246 -7.830 0.862 1.00 0.00 C ATOM 1058 CZ TYR A 63 0.686 -7.014 0.260 1.00 0.00 C ATOM 1059 OH TYR A 63 2.010 -7.113 0.611 1.00 0.00 O ATOM 0 H TYR A 63 -4.058 -6.667 1.627 1.00 0.00 H new ATOM 0 HA TYR A 63 -3.440 -4.628 -0.279 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -3.985 -7.592 -0.527 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -3.553 -6.560 -1.877 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -1.339 -5.288 -1.779 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -2.295 -8.370 0.993 1.00 0.00 H new ATOM 0 HE1 TYR A 63 1.029 -5.461 -1.160 1.00 0.00 H new ATOM 0 HE2 TYR A 63 0.064 -8.549 1.606 1.00 0.00 H new ATOM 0 HH TYR A 63 2.090 -7.620 1.446 1.00 0.00 H new ATOM 1069 N ASP A 64 -6.497 -5.425 0.007 1.00 0.00 N ATOM 1070 CA ASP A 64 -7.818 -4.992 -0.434 1.00 0.00 C ATOM 1071 C ASP A 64 -7.987 -3.498 -0.148 1.00 0.00 C ATOM 1072 O ASP A 64 -8.320 -2.688 -1.061 1.00 0.00 O ATOM 1073 CB ASP A 64 -8.915 -5.818 0.251 1.00 0.00 C ATOM 1074 CG ASP A 64 -10.306 -5.526 -0.255 1.00 0.00 C ATOM 1075 OD1 ASP A 64 -10.511 -5.506 -1.490 1.00 0.00 O ATOM 1076 OD2 ASP A 64 -11.233 -5.391 0.573 1.00 0.00 O ATOM 0 H ASP A 64 -6.490 -5.995 0.853 1.00 0.00 H new ATOM 0 HA ASP A 64 -7.910 -5.154 -1.508 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -8.702 -6.877 0.107 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -8.882 -5.629 1.324 1.00 0.00 H new ATOM 1081 N MET A 65 -7.683 -3.115 1.087 1.00 0.00 N ATOM 1082 CA MET A 65 -7.790 -1.734 1.505 1.00 0.00 C ATOM 1083 C MET A 65 -6.811 -0.832 0.778 1.00 0.00 C ATOM 1084 O MET A 65 -7.219 0.198 0.240 1.00 0.00 O ATOM 1085 CB MET A 65 -7.674 -1.574 3.031 1.00 0.00 C ATOM 1086 CG MET A 65 -8.861 -2.156 3.779 1.00 0.00 C ATOM 1087 SD MET A 65 -8.847 -1.841 5.565 1.00 0.00 S ATOM 1088 CE MET A 65 -7.481 -2.863 6.103 1.00 0.00 C ATOM 0 H MET A 65 -7.359 -3.751 1.816 1.00 0.00 H new ATOM 0 HA MET A 65 -8.792 -1.411 1.223 1.00 0.00 H new ATOM 0 HB2 MET A 65 -6.761 -2.061 3.374 1.00 0.00 H new ATOM 0 HB3 MET A 65 -7.581 -0.516 3.274 1.00 0.00 H new ATOM 0 HG2 MET A 65 -9.778 -1.745 3.357 1.00 0.00 H new ATOM 0 HG3 MET A 65 -8.888 -3.233 3.612 1.00 0.00 H new ATOM 0 HE1 MET A 65 -6.866 -2.306 6.810 1.00 0.00 H new ATOM 0 HE2 MET A 65 -7.867 -3.761 6.586 1.00 0.00 H new ATOM 0 HE3 MET A 65 -6.877 -3.146 5.241 1.00 0.00 H new ATOM 1098 N ILE A 66 -5.529 -1.225 0.698 1.00 0.00 N ATOM 1099 CA ILE A 66 -4.553 -0.363 0.034 1.00 0.00 C ATOM 1100 C ILE A 66 -4.866 -0.192 -1.430 1.00 0.00 C ATOM 1101 O ILE A 66 -4.675 0.873 -1.949 1.00 0.00 O ATOM 1102 CB ILE A 66 -3.050 -0.767 0.191 1.00 0.00 C ATOM 1103 CG1 ILE A 66 -2.751 -2.122 -0.434 1.00 0.00 C ATOM 1104 CG2 ILE A 66 -2.633 -0.750 1.647 1.00 0.00 C ATOM 1105 CD1 ILE A 66 -1.276 -2.460 -0.481 1.00 0.00 C ATOM 0 H ILE A 66 -5.160 -2.100 1.070 1.00 0.00 H new ATOM 0 HA ILE A 66 -4.663 0.580 0.569 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.464 -0.023 -0.349 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.274 -2.895 0.129 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.151 -2.141 -1.448 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -1.584 -1.035 1.728 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -2.770 0.252 2.053 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.245 -1.456 2.209 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -1.142 -3.440 -0.939 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.749 -1.709 -1.069 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.874 -2.475 0.532 1.00 0.00 H new ATOM 1117 N ALA A 67 -5.401 -1.235 -2.076 1.00 0.00 N ATOM 1118 CA ALA A 67 -5.709 -1.176 -3.501 1.00 0.00 C ATOM 1119 C ALA A 67 -6.629 -0.019 -3.825 1.00 0.00 C ATOM 1120 O ALA A 67 -6.376 0.721 -4.775 1.00 0.00 O ATOM 1121 CB ALA A 67 -6.307 -2.471 -3.995 1.00 0.00 C ATOM 0 H ALA A 67 -5.627 -2.125 -1.632 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.764 -1.017 -4.020 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.523 -2.389 -5.060 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.601 -3.284 -3.830 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.230 -2.676 -3.452 1.00 0.00 H new ATOM 1127 N GLU A 68 -7.678 0.166 -3.034 1.00 0.00 N ATOM 1128 CA GLU A 68 -8.563 1.286 -3.301 1.00 0.00 C ATOM 1129 C GLU A 68 -7.957 2.615 -2.832 1.00 0.00 C ATOM 1130 O GLU A 68 -8.142 3.642 -3.487 1.00 0.00 O ATOM 1131 CB GLU A 68 -9.986 1.074 -2.777 1.00 0.00 C ATOM 1132 CG GLU A 68 -10.118 0.868 -1.287 1.00 0.00 C ATOM 1133 CD GLU A 68 -11.557 0.719 -0.887 1.00 0.00 C ATOM 1134 OE1 GLU A 68 -12.239 1.745 -0.659 1.00 0.00 O ATOM 1135 OE2 GLU A 68 -12.048 -0.413 -0.819 1.00 0.00 O ATOM 0 H GLU A 68 -7.928 -0.418 -2.236 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.661 1.343 -4.385 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -10.588 1.937 -3.059 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.413 0.208 -3.283 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -9.561 -0.020 -0.989 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.676 1.713 -0.759 1.00 0.00 H new ATOM 1142 N ILE A 69 -7.198 2.581 -1.724 1.00 0.00 N ATOM 1143 CA ILE A 69 -6.510 3.780 -1.205 1.00 0.00 C ATOM 1144 C ILE A 69 -5.531 4.307 -2.248 1.00 0.00 C ATOM 1145 O ILE A 69 -5.486 5.500 -2.514 1.00 0.00 O ATOM 1146 CB ILE A 69 -5.724 3.487 0.115 1.00 0.00 C ATOM 1147 CG1 ILE A 69 -6.672 3.075 1.235 1.00 0.00 C ATOM 1148 CG2 ILE A 69 -4.876 4.692 0.549 1.00 0.00 C ATOM 1149 CD1 ILE A 69 -5.968 2.679 2.505 1.00 0.00 C ATOM 0 H ILE A 69 -7.044 1.739 -1.170 1.00 0.00 H new ATOM 0 HA ILE A 69 -7.279 4.521 -0.988 1.00 0.00 H new ATOM 0 HB ILE A 69 -5.047 2.658 -0.090 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -7.350 3.901 1.448 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -7.284 2.240 0.893 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.345 4.450 1.470 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -4.156 4.931 -0.234 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -5.525 5.551 0.719 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -6.705 2.398 3.257 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -5.310 1.832 2.308 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.378 3.519 2.871 1.00 0.00 H new ATOM 1161 N LEU A 70 -4.776 3.393 -2.840 1.00 0.00 N ATOM 1162 CA LEU A 70 -3.790 3.705 -3.863 1.00 0.00 C ATOM 1163 C LEU A 70 -4.421 4.453 -5.006 1.00 0.00 C ATOM 1164 O LEU A 70 -3.907 5.460 -5.436 1.00 0.00 O ATOM 1165 CB LEU A 70 -3.111 2.423 -4.376 1.00 0.00 C ATOM 1166 CG LEU A 70 -2.230 1.677 -3.363 1.00 0.00 C ATOM 1167 CD1 LEU A 70 -1.837 0.311 -3.890 1.00 0.00 C ATOM 1168 CD2 LEU A 70 -0.989 2.485 -3.043 1.00 0.00 C ATOM 0 H LEU A 70 -4.833 2.399 -2.619 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.030 4.343 -3.411 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.885 1.741 -4.726 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.499 2.681 -5.240 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.809 1.542 -2.450 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.213 -0.197 -3.154 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.734 -0.280 -4.075 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.280 0.426 -4.820 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.376 1.941 -2.324 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.417 2.650 -3.956 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.280 3.446 -2.619 1.00 0.00 H new ATOM 1180 N GLN A 71 -5.560 3.981 -5.451 1.00 0.00 N ATOM 1181 CA GLN A 71 -6.259 4.604 -6.564 1.00 0.00 C ATOM 1182 C GLN A 71 -6.802 5.973 -6.158 1.00 0.00 C ATOM 1183 O GLN A 71 -6.580 6.977 -6.837 1.00 0.00 O ATOM 1184 CB GLN A 71 -7.403 3.716 -7.022 1.00 0.00 C ATOM 1185 CG GLN A 71 -6.984 2.297 -7.351 1.00 0.00 C ATOM 1186 CD GLN A 71 -8.132 1.448 -7.830 1.00 0.00 C ATOM 1187 OE1 GLN A 71 -9.067 1.940 -8.458 1.00 0.00 O ATOM 1188 NE2 GLN A 71 -8.097 0.193 -7.508 1.00 0.00 N ATOM 0 H GLN A 71 -6.030 3.164 -5.062 1.00 0.00 H new ATOM 0 HA GLN A 71 -5.553 4.735 -7.384 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -8.164 3.688 -6.242 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -7.866 4.161 -7.903 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -6.210 2.320 -8.118 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -6.543 1.838 -6.466 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -7.303 -0.178 -6.986 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -8.864 -0.424 -7.777 1.00 0.00 H new ATOM 1197 N ARG A 72 -7.476 5.995 -5.032 1.00 0.00 N ATOM 1198 CA ARG A 72 -8.116 7.160 -4.501 1.00 0.00 C ATOM 1199 C ARG A 72 -7.108 8.274 -4.194 1.00 0.00 C ATOM 1200 O ARG A 72 -7.267 9.421 -4.626 1.00 0.00 O ATOM 1201 CB ARG A 72 -8.833 6.707 -3.256 1.00 0.00 C ATOM 1202 CG ARG A 72 -9.668 7.723 -2.559 1.00 0.00 C ATOM 1203 CD ARG A 72 -10.607 7.004 -1.634 1.00 0.00 C ATOM 1204 NE ARG A 72 -11.587 6.200 -2.395 1.00 0.00 N ATOM 1205 CZ ARG A 72 -11.998 4.951 -2.095 1.00 0.00 C ATOM 1206 NH1 ARG A 72 -11.478 4.288 -1.073 1.00 0.00 N ATOM 1207 NH2 ARG A 72 -12.913 4.365 -2.848 1.00 0.00 N ATOM 0 H ARG A 72 -7.594 5.169 -4.445 1.00 0.00 H new ATOM 0 HA ARG A 72 -8.810 7.588 -5.225 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -9.472 5.864 -3.519 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -8.089 6.336 -2.551 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -9.038 8.414 -1.999 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -10.227 8.317 -3.282 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -10.040 6.356 -0.966 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -11.131 7.726 -1.008 1.00 0.00 H new ATOM 0 HE ARG A 72 -11.991 6.631 -3.226 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -10.755 4.721 -0.499 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -11.801 3.344 -0.860 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -13.304 4.857 -3.651 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -13.228 3.420 -2.626 1.00 0.00 H new ATOM 1221 N TYR A 73 -6.059 7.932 -3.505 1.00 0.00 N ATOM 1222 CA TYR A 73 -5.087 8.901 -3.113 1.00 0.00 C ATOM 1223 C TYR A 73 -4.080 9.225 -4.185 1.00 0.00 C ATOM 1224 O TYR A 73 -3.419 10.250 -4.106 1.00 0.00 O ATOM 1225 CB TYR A 73 -4.455 8.588 -1.763 1.00 0.00 C ATOM 1226 CG TYR A 73 -5.375 8.904 -0.621 1.00 0.00 C ATOM 1227 CD1 TYR A 73 -6.302 7.981 -0.161 1.00 0.00 C ATOM 1228 CD2 TYR A 73 -5.338 10.153 -0.022 1.00 0.00 C ATOM 1229 CE1 TYR A 73 -7.168 8.299 0.862 1.00 0.00 C ATOM 1230 CE2 TYR A 73 -6.189 10.473 1.003 1.00 0.00 C ATOM 1231 CZ TYR A 73 -7.102 9.548 1.441 1.00 0.00 C ATOM 1232 OH TYR A 73 -7.974 9.883 2.435 1.00 0.00 O ATOM 0 H TYR A 73 -5.857 6.979 -3.202 1.00 0.00 H new ATOM 0 HA TYR A 73 -5.644 9.827 -2.974 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.182 7.533 -1.727 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -3.533 9.159 -1.654 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -6.346 7.000 -0.611 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -4.626 10.887 -0.369 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -7.892 7.576 1.207 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -6.141 11.449 1.464 1.00 0.00 H new ATOM 0 HH TYR A 73 -7.792 10.798 2.735 1.00 0.00 H new ATOM 1242 N TYR A 74 -3.961 8.391 -5.202 1.00 0.00 N ATOM 1243 CA TYR A 74 -3.119 8.753 -6.328 1.00 0.00 C ATOM 1244 C TYR A 74 -3.763 9.932 -7.050 1.00 0.00 C ATOM 1245 O TYR A 74 -3.085 10.782 -7.613 1.00 0.00 O ATOM 1246 CB TYR A 74 -2.834 7.542 -7.259 1.00 0.00 C ATOM 1247 CG TYR A 74 -3.226 7.698 -8.714 1.00 0.00 C ATOM 1248 CD1 TYR A 74 -2.374 8.303 -9.634 1.00 0.00 C ATOM 1249 CD2 TYR A 74 -4.449 7.238 -9.160 1.00 0.00 C ATOM 1250 CE1 TYR A 74 -2.744 8.440 -10.955 1.00 0.00 C ATOM 1251 CE2 TYR A 74 -4.822 7.371 -10.469 1.00 0.00 C ATOM 1252 CZ TYR A 74 -3.969 7.971 -11.365 1.00 0.00 C ATOM 1253 OH TYR A 74 -4.353 8.107 -12.683 1.00 0.00 O ATOM 0 H TYR A 74 -4.422 7.484 -5.273 1.00 0.00 H new ATOM 0 HA TYR A 74 -2.136 9.060 -5.971 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -1.767 7.322 -7.215 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -3.355 6.673 -6.857 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -1.412 8.669 -9.309 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -5.124 6.764 -8.462 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -2.077 8.912 -11.661 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -5.784 7.006 -10.798 1.00 0.00 H new ATOM 0 HH TYR A 74 -5.246 7.722 -12.805 1.00 0.00 H new ATOM 1263 N LYS A 75 -5.077 9.985 -6.979 1.00 0.00 N ATOM 1264 CA LYS A 75 -5.831 11.072 -7.542 1.00 0.00 C ATOM 1265 C LYS A 75 -5.790 12.275 -6.602 1.00 0.00 C ATOM 1266 O LYS A 75 -5.569 13.400 -7.037 1.00 0.00 O ATOM 1267 CB LYS A 75 -7.287 10.647 -7.781 1.00 0.00 C ATOM 1268 CG LYS A 75 -7.436 9.465 -8.723 1.00 0.00 C ATOM 1269 CD LYS A 75 -8.888 9.045 -8.877 1.00 0.00 C ATOM 1270 CE LYS A 75 -9.013 7.860 -9.821 1.00 0.00 C ATOM 1271 NZ LYS A 75 -10.418 7.439 -10.022 1.00 0.00 N ATOM 0 H LYS A 75 -5.648 9.271 -6.527 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.385 11.347 -8.498 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -7.744 10.396 -6.824 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -7.841 11.494 -8.186 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -7.027 9.725 -9.700 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -6.853 8.625 -8.347 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -9.300 8.784 -7.902 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -9.474 9.881 -9.257 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -8.574 8.119 -10.784 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -8.440 7.022 -9.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -10.448 6.629 -10.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -10.832 7.165 -9.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -10.962 8.228 -10.426 1.00 0.00 H new ATOM 1285 N LYS A 76 -5.971 12.022 -5.310 1.00 0.00 N ATOM 1286 CA LYS A 76 -6.029 13.089 -4.309 1.00 0.00 C ATOM 1287 C LYS A 76 -4.656 13.736 -4.017 1.00 0.00 C ATOM 1288 O LYS A 76 -4.556 14.955 -3.947 1.00 0.00 O ATOM 1289 CB LYS A 76 -6.702 12.582 -3.007 1.00 0.00 C ATOM 1290 CG LYS A 76 -6.937 13.657 -1.935 1.00 0.00 C ATOM 1291 CD LYS A 76 -7.741 13.102 -0.754 1.00 0.00 C ATOM 1292 CE LYS A 76 -8.045 14.167 0.312 1.00 0.00 C ATOM 1293 NZ LYS A 76 -6.839 14.640 1.042 1.00 0.00 N ATOM 0 H LYS A 76 -6.081 11.083 -4.927 1.00 0.00 H new ATOM 0 HA LYS A 76 -6.643 13.881 -4.738 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -7.661 12.131 -3.264 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -6.083 11.793 -2.579 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -5.978 14.034 -1.579 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.468 14.501 -2.374 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.678 12.685 -1.122 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -7.186 12.283 -0.295 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -8.528 15.020 -0.166 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -8.757 13.758 1.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -7.116 15.355 1.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -6.389 13.837 1.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -6.167 15.059 0.368 1.00 0.00 H new ATOM 1307 N ILE A 77 -3.609 12.935 -3.852 1.00 0.00 N ATOM 1308 CA ILE A 77 -2.289 13.489 -3.491 1.00 0.00 C ATOM 1309 C ILE A 77 -1.157 13.050 -4.435 1.00 0.00 C ATOM 1310 O ILE A 77 -0.139 13.727 -4.531 1.00 0.00 O ATOM 1311 CB ILE A 77 -1.886 13.172 -2.017 1.00 0.00 C ATOM 1312 CG1 ILE A 77 -1.873 11.655 -1.769 1.00 0.00 C ATOM 1313 CG2 ILE A 77 -2.815 13.883 -1.035 1.00 0.00 C ATOM 1314 CD1 ILE A 77 -1.437 11.251 -0.381 1.00 0.00 C ATOM 0 H ILE A 77 -3.635 11.921 -3.957 1.00 0.00 H new ATOM 0 HA ILE A 77 -2.414 14.566 -3.598 1.00 0.00 H new ATOM 0 HB ILE A 77 -0.876 13.547 -1.852 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.873 11.261 -1.951 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -1.209 11.187 -2.495 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.515 13.647 -0.014 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.754 14.960 -1.191 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -3.840 13.550 -1.198 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.458 10.165 -0.295 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.424 11.610 -0.199 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -2.114 11.686 0.354 1.00 0.00 H new ATOM 1326 N GLY A 78 -1.304 11.914 -5.073 1.00 0.00 N ATOM 1327 CA GLY A 78 -0.286 11.450 -6.008 1.00 0.00 C ATOM 1328 C GLY A 78 0.242 10.094 -5.605 1.00 0.00 C ATOM 1329 O GLY A 78 0.453 9.853 -4.412 1.00 0.00 O ATOM 0 H GLY A 78 -2.107 11.293 -4.970 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -0.707 11.396 -7.012 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.534 12.167 -6.044 1.00 0.00 H new ATOM 1333 N ILE A 79 0.500 9.222 -6.586 1.00 0.00 N ATOM 1334 CA ILE A 79 0.882 7.827 -6.319 1.00 0.00 C ATOM 1335 C ILE A 79 2.188 7.730 -5.517 1.00 0.00 C ATOM 1336 O ILE A 79 2.287 6.918 -4.590 1.00 0.00 O ATOM 1337 CB ILE A 79 0.954 6.943 -7.630 1.00 0.00 C ATOM 1338 CG1 ILE A 79 1.189 5.463 -7.294 1.00 0.00 C ATOM 1339 CG2 ILE A 79 2.032 7.428 -8.594 1.00 0.00 C ATOM 1340 CD1 ILE A 79 0.075 4.820 -6.485 1.00 0.00 C ATOM 0 H ILE A 79 0.451 9.457 -7.577 1.00 0.00 H new ATOM 0 HA ILE A 79 0.081 7.415 -5.705 1.00 0.00 H new ATOM 0 HB ILE A 79 -0.013 7.047 -8.123 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.314 4.907 -8.223 1.00 0.00 H new ATOM 0 HG13 ILE A 79 2.123 5.372 -6.740 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.043 6.790 -9.478 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.820 8.455 -8.890 1.00 0.00 H new ATOM 0 HG23 ILE A 79 3.005 7.385 -8.104 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.322 3.776 -6.292 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.038 5.347 -5.538 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -0.859 4.875 -7.044 1.00 0.00 H new ATOM 1352 N GLU A 80 3.130 8.619 -5.815 1.00 0.00 N ATOM 1353 CA GLU A 80 4.441 8.641 -5.166 1.00 0.00 C ATOM 1354 C GLU A 80 4.269 8.856 -3.677 1.00 0.00 C ATOM 1355 O GLU A 80 4.887 8.180 -2.835 1.00 0.00 O ATOM 1356 CB GLU A 80 5.242 9.803 -5.708 1.00 0.00 C ATOM 1357 CG GLU A 80 5.454 9.796 -7.199 1.00 0.00 C ATOM 1358 CD GLU A 80 6.055 11.088 -7.652 1.00 0.00 C ATOM 1359 OE1 GLU A 80 5.302 12.081 -7.808 1.00 0.00 O ATOM 1360 OE2 GLU A 80 7.293 11.152 -7.820 1.00 0.00 O ATOM 0 H GLU A 80 3.007 9.349 -6.517 1.00 0.00 H new ATOM 0 HA GLU A 80 4.948 7.695 -5.357 1.00 0.00 H new ATOM 0 HB2 GLU A 80 4.739 10.730 -5.433 1.00 0.00 H new ATOM 0 HB3 GLU A 80 6.216 9.812 -5.219 1.00 0.00 H new ATOM 0 HG2 GLU A 80 6.108 8.968 -7.475 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.503 9.634 -7.706 1.00 0.00 H new ATOM 1367 N ASN A 81 3.391 9.782 -3.371 1.00 0.00 N ATOM 1368 CA ASN A 81 3.091 10.168 -2.017 1.00 0.00 C ATOM 1369 C ASN A 81 2.400 9.051 -1.286 1.00 0.00 C ATOM 1370 O ASN A 81 2.712 8.771 -0.132 1.00 0.00 O ATOM 1371 CB ASN A 81 2.243 11.449 -1.999 1.00 0.00 C ATOM 1372 CG ASN A 81 3.022 12.668 -2.459 1.00 0.00 C ATOM 1373 OD1 ASN A 81 4.241 12.754 -2.265 1.00 0.00 O ATOM 1374 ND2 ASN A 81 2.351 13.606 -3.077 1.00 0.00 N ATOM 0 H ASN A 81 2.856 10.296 -4.071 1.00 0.00 H new ATOM 0 HA ASN A 81 4.028 10.375 -1.501 1.00 0.00 H new ATOM 0 HB2 ASN A 81 1.373 11.314 -2.642 1.00 0.00 H new ATOM 0 HB3 ASN A 81 1.870 11.620 -0.989 1.00 0.00 H new ATOM 0 HD21 ASN A 81 2.833 14.439 -3.415 1.00 0.00 H new ATOM 0 HD22 ASN A 81 1.346 13.504 -3.221 1.00 0.00 H new ATOM 1381 N VAL A 82 1.494 8.376 -1.973 1.00 0.00 N ATOM 1382 CA VAL A 82 0.762 7.269 -1.376 1.00 0.00 C ATOM 1383 C VAL A 82 1.716 6.125 -1.084 1.00 0.00 C ATOM 1384 O VAL A 82 1.642 5.524 -0.026 1.00 0.00 O ATOM 1385 CB VAL A 82 -0.392 6.753 -2.266 1.00 0.00 C ATOM 1386 CG1 VAL A 82 -1.258 5.768 -1.499 1.00 0.00 C ATOM 1387 CG2 VAL A 82 -1.229 7.890 -2.770 1.00 0.00 C ATOM 0 H VAL A 82 1.247 8.574 -2.943 1.00 0.00 H new ATOM 0 HA VAL A 82 0.316 7.648 -0.456 1.00 0.00 H new ATOM 0 HB VAL A 82 0.048 6.242 -3.123 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.065 5.416 -2.142 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -0.651 4.920 -1.181 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.680 6.260 -0.623 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.034 7.501 -3.394 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -1.654 8.431 -1.925 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -0.608 8.566 -3.359 1.00 0.00 H new ATOM 1397 N ASN A 83 2.638 5.860 -2.023 1.00 0.00 N ATOM 1398 CA ASN A 83 3.662 4.810 -1.847 1.00 0.00 C ATOM 1399 C ASN A 83 4.393 5.007 -0.535 1.00 0.00 C ATOM 1400 O ASN A 83 4.487 4.093 0.288 1.00 0.00 O ATOM 1401 CB ASN A 83 4.713 4.814 -2.983 1.00 0.00 C ATOM 1402 CG ASN A 83 4.325 4.109 -4.279 1.00 0.00 C ATOM 1403 OD1 ASN A 83 5.185 3.563 -4.956 1.00 0.00 O ATOM 1404 ND2 ASN A 83 3.074 4.113 -4.648 1.00 0.00 N ATOM 0 H ASN A 83 2.698 6.356 -2.912 1.00 0.00 H new ATOM 0 HA ASN A 83 3.133 3.857 -1.862 1.00 0.00 H new ATOM 0 HB2 ASN A 83 4.955 5.850 -3.219 1.00 0.00 H new ATOM 0 HB3 ASN A 83 5.625 4.352 -2.604 1.00 0.00 H new ATOM 0 HD21 ASN A 83 2.797 3.655 -5.516 1.00 0.00 H new ATOM 0 HD22 ASN A 83 2.373 4.574 -4.068 1.00 0.00 H new ATOM 1411 N GLN A 84 4.840 6.232 -0.323 1.00 0.00 N ATOM 1412 CA GLN A 84 5.597 6.601 0.852 1.00 0.00 C ATOM 1413 C GLN A 84 4.719 6.425 2.101 1.00 0.00 C ATOM 1414 O GLN A 84 5.146 5.850 3.097 1.00 0.00 O ATOM 1415 CB GLN A 84 6.051 8.064 0.711 1.00 0.00 C ATOM 1416 CG GLN A 84 7.337 8.454 1.456 1.00 0.00 C ATOM 1417 CD GLN A 84 7.277 8.293 2.953 1.00 0.00 C ATOM 1418 OE1 GLN A 84 6.869 9.201 3.665 1.00 0.00 O ATOM 1419 NE2 GLN A 84 7.730 7.165 3.441 1.00 0.00 N ATOM 0 H GLN A 84 4.684 7.004 -0.971 1.00 0.00 H new ATOM 0 HA GLN A 84 6.475 5.963 0.953 1.00 0.00 H new ATOM 0 HB2 GLN A 84 6.192 8.278 -0.349 1.00 0.00 H new ATOM 0 HB3 GLN A 84 5.244 8.708 1.062 1.00 0.00 H new ATOM 0 HG2 GLN A 84 8.159 7.849 1.073 1.00 0.00 H new ATOM 0 HG3 GLN A 84 7.572 9.493 1.226 1.00 0.00 H new ATOM 0 HE21 GLN A 84 8.061 6.433 2.812 1.00 0.00 H new ATOM 0 HE22 GLN A 84 7.752 7.018 4.450 1.00 0.00 H new ATOM 1428 N LEU A 85 3.488 6.882 2.024 1.00 0.00 N ATOM 1429 CA LEU A 85 2.567 6.810 3.151 1.00 0.00 C ATOM 1430 C LEU A 85 2.194 5.364 3.516 1.00 0.00 C ATOM 1431 O LEU A 85 2.063 5.033 4.700 1.00 0.00 O ATOM 1432 CB LEU A 85 1.337 7.683 2.903 1.00 0.00 C ATOM 1433 CG LEU A 85 1.638 9.186 2.737 1.00 0.00 C ATOM 1434 CD1 LEU A 85 0.392 9.956 2.379 1.00 0.00 C ATOM 1435 CD2 LEU A 85 2.267 9.759 4.000 1.00 0.00 C ATOM 0 H LEU A 85 3.094 7.312 1.187 1.00 0.00 H new ATOM 0 HA LEU A 85 3.085 7.210 4.023 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.830 7.327 2.006 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.643 7.555 3.734 1.00 0.00 H new ATOM 0 HG LEU A 85 2.350 9.289 1.918 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.636 11.013 2.269 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.013 9.577 1.440 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.350 9.836 3.169 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.469 10.820 3.856 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.582 9.630 4.838 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.200 9.237 4.211 1.00 0.00 H new ATOM 1447 N ILE A 86 2.067 4.499 2.518 1.00 0.00 N ATOM 1448 CA ILE A 86 1.801 3.078 2.765 1.00 0.00 C ATOM 1449 C ILE A 86 3.007 2.462 3.479 1.00 0.00 C ATOM 1450 O ILE A 86 2.860 1.719 4.460 1.00 0.00 O ATOM 1451 CB ILE A 86 1.484 2.290 1.449 1.00 0.00 C ATOM 1452 CG1 ILE A 86 0.232 2.859 0.750 1.00 0.00 C ATOM 1453 CG2 ILE A 86 1.312 0.791 1.716 1.00 0.00 C ATOM 1454 CD1 ILE A 86 -1.039 2.838 1.589 1.00 0.00 C ATOM 0 H ILE A 86 2.143 4.750 1.532 1.00 0.00 H new ATOM 0 HA ILE A 86 0.913 3.005 3.393 1.00 0.00 H new ATOM 0 HB ILE A 86 2.339 2.416 0.784 1.00 0.00 H new ATOM 0 HG12 ILE A 86 0.436 3.888 0.453 1.00 0.00 H new ATOM 0 HG13 ILE A 86 0.055 2.292 -0.164 1.00 0.00 H new ATOM 0 HG21 ILE A 86 1.093 0.277 0.780 1.00 0.00 H new ATOM 0 HG22 ILE A 86 2.231 0.390 2.144 1.00 0.00 H new ATOM 0 HG23 ILE A 86 0.489 0.638 2.415 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.863 3.258 1.012 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.276 1.810 1.865 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.889 3.431 2.491 1.00 0.00 H new ATOM 1466 N LEU A 87 4.198 2.838 3.031 1.00 0.00 N ATOM 1467 CA LEU A 87 5.435 2.388 3.657 1.00 0.00 C ATOM 1468 C LEU A 87 5.511 2.903 5.090 1.00 0.00 C ATOM 1469 O LEU A 87 5.886 2.180 6.004 1.00 0.00 O ATOM 1470 CB LEU A 87 6.653 2.838 2.836 1.00 0.00 C ATOM 1471 CG LEU A 87 6.739 2.253 1.422 1.00 0.00 C ATOM 1472 CD1 LEU A 87 7.943 2.779 0.680 1.00 0.00 C ATOM 1473 CD2 LEU A 87 6.782 0.746 1.478 1.00 0.00 C ATOM 0 H LEU A 87 4.334 3.457 2.232 1.00 0.00 H new ATOM 0 HA LEU A 87 5.442 1.298 3.685 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.639 3.925 2.762 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.558 2.567 3.380 1.00 0.00 H new ATOM 0 HG LEU A 87 5.846 2.564 0.880 1.00 0.00 H new ATOM 0 HD11 LEU A 87 7.973 2.344 -0.319 1.00 0.00 H new ATOM 0 HD12 LEU A 87 7.876 3.864 0.601 1.00 0.00 H new ATOM 0 HD13 LEU A 87 8.850 2.509 1.221 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.843 0.346 0.466 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.655 0.428 2.047 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.879 0.374 1.961 1.00 0.00 H new ATOM 1485 N THR A 88 5.090 4.134 5.270 1.00 0.00 N ATOM 1486 CA THR A 88 5.004 4.777 6.567 1.00 0.00 C ATOM 1487 C THR A 88 4.067 3.988 7.514 1.00 0.00 C ATOM 1488 O THR A 88 4.288 3.930 8.725 1.00 0.00 O ATOM 1489 CB THR A 88 4.502 6.234 6.402 1.00 0.00 C ATOM 1490 OG1 THR A 88 5.418 6.970 5.569 1.00 0.00 O ATOM 1491 CG2 THR A 88 4.364 6.936 7.742 1.00 0.00 C ATOM 0 H THR A 88 4.790 4.733 4.501 1.00 0.00 H new ATOM 0 HA THR A 88 5.999 4.792 7.012 1.00 0.00 H new ATOM 0 HB THR A 88 3.517 6.197 5.937 1.00 0.00 H new ATOM 0 HG1 THR A 88 5.289 6.711 4.633 1.00 0.00 H new ATOM 0 HG21 THR A 88 4.010 7.955 7.584 1.00 0.00 H new ATOM 0 HG22 THR A 88 3.650 6.396 8.364 1.00 0.00 H new ATOM 0 HG23 THR A 88 5.333 6.962 8.241 1.00 0.00 H new ATOM 1499 N THR A 89 3.041 3.386 6.951 1.00 0.00 N ATOM 1500 CA THR A 89 2.076 2.642 7.715 1.00 0.00 C ATOM 1501 C THR A 89 2.698 1.357 8.283 1.00 0.00 C ATOM 1502 O THR A 89 2.600 1.098 9.481 1.00 0.00 O ATOM 1503 CB THR A 89 0.847 2.317 6.856 1.00 0.00 C ATOM 1504 OG1 THR A 89 0.401 3.517 6.244 1.00 0.00 O ATOM 1505 CG2 THR A 89 -0.278 1.785 7.712 1.00 0.00 C ATOM 0 H THR A 89 2.857 3.402 5.948 1.00 0.00 H new ATOM 0 HA THR A 89 1.756 3.260 8.554 1.00 0.00 H new ATOM 0 HB THR A 89 1.122 1.566 6.116 1.00 0.00 H new ATOM 0 HG1 THR A 89 1.079 3.833 5.611 1.00 0.00 H new ATOM 0 HG21 THR A 89 -1.139 1.561 7.083 1.00 0.00 H new ATOM 0 HG22 THR A 89 0.048 0.876 8.218 1.00 0.00 H new ATOM 0 HG23 THR A 89 -0.556 2.533 8.454 1.00 0.00 H new ATOM 1513 N ILE A 90 3.391 0.599 7.438 1.00 0.00 N ATOM 1514 CA ILE A 90 4.000 -0.656 7.881 1.00 0.00 C ATOM 1515 C ILE A 90 5.269 -0.420 8.706 1.00 0.00 C ATOM 1516 O ILE A 90 5.662 -1.259 9.526 1.00 0.00 O ATOM 1517 CB ILE A 90 4.274 -1.642 6.719 1.00 0.00 C ATOM 1518 CG1 ILE A 90 5.169 -1.002 5.644 1.00 0.00 C ATOM 1519 CG2 ILE A 90 2.959 -2.122 6.123 1.00 0.00 C ATOM 1520 CD1 ILE A 90 5.512 -1.927 4.495 1.00 0.00 C ATOM 0 H ILE A 90 3.545 0.825 6.455 1.00 0.00 H new ATOM 0 HA ILE A 90 3.260 -1.127 8.528 1.00 0.00 H new ATOM 0 HB ILE A 90 4.811 -2.503 7.116 1.00 0.00 H new ATOM 0 HG12 ILE A 90 4.668 -0.119 5.248 1.00 0.00 H new ATOM 0 HG13 ILE A 90 6.093 -0.662 6.111 1.00 0.00 H new ATOM 0 HG21 ILE A 90 3.161 -2.815 5.306 1.00 0.00 H new ATOM 0 HG22 ILE A 90 2.374 -2.627 6.892 1.00 0.00 H new ATOM 0 HG23 ILE A 90 2.398 -1.268 5.743 1.00 0.00 H new ATOM 0 HD11 ILE A 90 6.145 -1.401 3.781 1.00 0.00 H new ATOM 0 HD12 ILE A 90 6.043 -2.799 4.876 1.00 0.00 H new ATOM 0 HD13 ILE A 90 4.595 -2.248 4.000 1.00 0.00 H new