USER MOD reduce.3.24.130724 H: found=0, std=0, add=793, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 795 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 87 LYS NZ :NH3+ -154:sc= -1.92! (180deg=-4.37!) USER MOD Set 1.2: A 88 TYR OH : rot -30:sc= -1.74 USER MOD Set 2.1: A 61 ASN : amide:sc= 0.497 K(o=1.6,f=-10!) USER MOD Set 2.2: A 64 LYS NZ :NH3+ -146:sc= 1.12 (180deg=0) USER MOD Set 3.1: A 26 TYR OH : rot -165:sc= -2.59! USER MOD Set 3.2: A 48 GLN : amide:sc= -0.601 K(o=-3.2,f=-3.9!) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.299 X(o=-0.3,f=-0.22) USER MOD Single : A 12 ASN : amide:sc= -7.63! C(o=-7.6!,f=-10!) USER MOD Single : A 19 ASN : amide:sc= -11.3! C(o=-11!,f=-18!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.031 K(o=-0.031,f=-0.81) USER MOD Single : A 31 MET CE :methyl -138:sc= -0.852 (180deg=-3.54!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 112:sc= 0.262 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 HIS : no HD1:sc= -5! C(o=-5!,f=-8.1!) USER MOD Single : A 62 GLN : amide:sc= -4.84! C(o=-4.8!,f=-5.6!) USER MOD Single : A 67 TYR OH : rot 85:sc= -0.206! USER MOD Single : A 72 HIS : no HD1:sc= -0.292 K(o=-0.29,f=-3.9!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.236 K(o=-0.24,f=-1.6!) USER MOD Single : A 85 THR OG1 : rot -15:sc= 0.0915 USER MOD Single : A 91 THR OG1 : rot -150:sc= -1.8 USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -177:sc=-0.000976 (180deg=-0.0331) USER MOD Single : A 98 TYR OH : rot 4:sc= -2.08 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 121 N TYR A 8 -15.268 2.287 -3.452 1.00 0.00 N ATOM 122 CA TYR A 8 -14.008 1.896 -2.863 1.00 0.00 C ATOM 123 C TYR A 8 -14.097 0.504 -2.248 1.00 0.00 C ATOM 124 O TYR A 8 -14.665 0.335 -1.172 1.00 0.00 O ATOM 125 CB TYR A 8 -13.598 2.907 -1.798 1.00 0.00 C ATOM 126 CG TYR A 8 -13.050 4.194 -2.371 1.00 0.00 C ATOM 127 CD1 TYR A 8 -11.770 4.251 -2.904 1.00 0.00 C ATOM 128 CD2 TYR A 8 -13.823 5.352 -2.378 1.00 0.00 C ATOM 129 CE1 TYR A 8 -11.276 5.431 -3.427 1.00 0.00 C ATOM 130 CE2 TYR A 8 -13.329 6.527 -2.902 1.00 0.00 C ATOM 131 CZ TYR A 8 -12.054 6.560 -3.422 1.00 0.00 C ATOM 132 OH TYR A 8 -11.558 7.730 -3.946 1.00 0.00 O ATOM 0 HA TYR A 8 -13.256 1.873 -3.652 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -14.461 3.135 -1.173 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -12.845 2.457 -1.151 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -11.154 3.364 -2.910 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -14.822 5.329 -1.968 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -10.278 5.464 -3.839 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -13.939 7.418 -2.905 1.00 0.00 H new ATOM 0 HH TYR A 8 -12.233 8.436 -3.867 1.00 0.00 H new ATOM 142 N ASP A 9 -13.521 -0.399 -2.928 1.00 0.00 N ATOM 143 CA ASP A 9 -13.520 -1.769 -2.454 1.00 0.00 C ATOM 144 C ASP A 9 -13.027 -1.822 -1.016 1.00 0.00 C ATOM 145 O ASP A 9 -11.818 -1.850 -0.766 1.00 0.00 O ATOM 146 CB ASP A 9 -12.634 -2.616 -3.356 1.00 0.00 C ATOM 147 CG ASP A 9 -11.204 -2.110 -3.406 1.00 0.00 C ATOM 148 OD1 ASP A 9 -10.951 -0.986 -2.929 1.00 0.00 O ATOM 149 OD2 ASP A 9 -10.332 -2.835 -3.944 1.00 0.00 O ATOM 0 H ASP A 9 -13.039 -0.244 -3.813 1.00 0.00 H new ATOM 0 HA ASP A 9 -14.535 -2.165 -2.483 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -12.639 -3.647 -3.001 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -13.049 -2.624 -4.364 1.00 0.00 H new ATOM 154 N ASN A 10 -13.962 -1.825 -0.094 1.00 0.00 N ATOM 155 CA ASN A 10 -13.630 -1.853 1.269 1.00 0.00 C ATOM 156 C ASN A 10 -12.625 -2.944 1.601 1.00 0.00 C ATOM 157 O ASN A 10 -12.521 -3.954 0.907 1.00 0.00 O ATOM 158 CB ASN A 10 -14.892 -2.046 2.103 1.00 0.00 C ATOM 159 CG ASN A 10 -16.020 -1.126 1.683 1.00 0.00 C ATOM 160 OD1 ASN A 10 -16.020 0.013 2.008 1.00 0.00 O ATOM 161 ND2 ASN A 10 -16.992 -1.669 0.957 1.00 0.00 N ATOM 0 H ASN A 10 -14.963 -1.808 -0.290 1.00 0.00 H new ATOM 0 HA ASN A 10 -13.163 -0.898 1.508 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -15.223 -3.081 2.019 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -14.658 -1.871 3.153 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -17.782 -1.099 0.655 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -16.948 -2.656 0.702 1.00 0.00 H new ATOM 168 N ILE A 11 -11.884 -2.716 2.677 1.00 0.00 N ATOM 169 CA ILE A 11 -10.868 -3.645 3.145 1.00 0.00 C ATOM 170 C ILE A 11 -10.262 -3.115 4.452 1.00 0.00 C ATOM 171 O ILE A 11 -10.961 -2.445 5.223 1.00 0.00 O ATOM 172 CB ILE A 11 -9.789 -3.861 2.060 1.00 0.00 C ATOM 173 CG1 ILE A 11 -9.062 -5.187 2.279 1.00 0.00 C ATOM 174 CG2 ILE A 11 -8.806 -2.692 2.015 1.00 0.00 C ATOM 175 CD1 ILE A 11 -9.498 -6.273 1.321 1.00 0.00 C ATOM 0 H ILE A 11 -11.972 -1.878 3.251 1.00 0.00 H new ATOM 0 HA ILE A 11 -11.321 -4.616 3.343 1.00 0.00 H new ATOM 0 HB ILE A 11 -10.288 -3.905 1.092 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -7.989 -5.027 2.172 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -9.234 -5.523 3.301 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -8.059 -2.874 1.242 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -9.345 -1.772 1.790 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.311 -2.595 2.981 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -8.943 -7.188 1.531 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -10.565 -6.460 1.444 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -9.301 -5.956 0.297 1.00 0.00 H new ATOM 187 N ASN A 12 -8.989 -3.394 4.720 1.00 0.00 N ATOM 188 CA ASN A 12 -8.359 -2.917 5.940 1.00 0.00 C ATOM 189 C ASN A 12 -7.759 -1.529 5.739 1.00 0.00 C ATOM 190 O ASN A 12 -6.811 -1.137 6.430 1.00 0.00 O ATOM 191 CB ASN A 12 -7.282 -3.888 6.398 1.00 0.00 C ATOM 192 CG ASN A 12 -6.109 -3.961 5.437 1.00 0.00 C ATOM 193 OD1 ASN A 12 -6.236 -4.468 4.323 1.00 0.00 O ATOM 194 ND2 ASN A 12 -4.962 -3.449 5.867 1.00 0.00 N ATOM 0 H ASN A 12 -8.381 -3.943 4.113 1.00 0.00 H new ATOM 0 HA ASN A 12 -9.127 -2.852 6.710 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -6.922 -3.587 7.382 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -7.718 -4.881 6.509 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -4.139 -3.466 5.265 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -4.904 -3.039 6.799 1.00 0.00 H new ATOM 201 N LEU A 13 -8.316 -0.783 4.802 1.00 0.00 N ATOM 202 CA LEU A 13 -7.845 0.487 4.503 1.00 0.00 C ATOM 203 C LEU A 13 -8.470 1.504 5.445 1.00 0.00 C ATOM 204 O LEU A 13 -9.028 2.514 5.014 1.00 0.00 O ATOM 205 CB LEU A 13 -8.161 0.834 3.042 1.00 0.00 C ATOM 206 CG LEU A 13 -6.977 0.747 2.092 1.00 0.00 C ATOM 207 CD1 LEU A 13 -6.683 -0.619 1.736 1.00 0.00 C ATOM 208 CD2 LEU A 13 -7.234 1.567 0.835 1.00 0.00 C ATOM 0 H LEU A 13 -9.115 -1.078 4.241 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.763 0.510 4.635 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.944 0.164 2.686 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.565 1.845 3.003 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.111 1.156 2.613 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.831 -0.643 1.056 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.445 -1.186 2.636 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.550 -1.062 1.247 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.375 1.491 0.169 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.121 1.187 0.328 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.391 2.611 1.107 1.00 0.00 H new ATOM 220 N ASP A 14 -8.355 1.225 6.726 1.00 0.00 N ATOM 221 CA ASP A 14 -8.867 2.103 7.758 1.00 0.00 C ATOM 222 C ASP A 14 -7.786 2.312 8.794 1.00 0.00 C ATOM 223 O ASP A 14 -7.325 3.436 9.024 1.00 0.00 O ATOM 224 CB ASP A 14 -10.122 1.503 8.402 1.00 0.00 C ATOM 225 CG ASP A 14 -11.217 2.528 8.604 1.00 0.00 C ATOM 226 OD1 ASP A 14 -11.092 3.362 9.524 1.00 0.00 O ATOM 227 OD2 ASP A 14 -12.200 2.498 7.832 1.00 0.00 O ATOM 0 H ASP A 14 -7.904 0.382 7.082 1.00 0.00 H new ATOM 0 HA ASP A 14 -9.146 3.061 7.320 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -10.497 0.694 7.775 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -9.858 1.064 9.364 1.00 0.00 H new ATOM 232 N GLU A 15 -7.355 1.209 9.394 1.00 0.00 N ATOM 233 CA GLU A 15 -6.306 1.246 10.389 1.00 0.00 C ATOM 234 C GLU A 15 -5.007 1.775 9.775 1.00 0.00 C ATOM 235 O GLU A 15 -4.151 2.297 10.475 1.00 0.00 O ATOM 236 CB GLU A 15 -6.073 -0.092 10.976 1.00 0.00 C ATOM 237 CG GLU A 15 -6.934 -0.380 12.195 1.00 0.00 C ATOM 238 CD GLU A 15 -8.413 -0.220 11.910 1.00 0.00 C ATOM 239 OE1 GLU A 15 -9.010 -1.112 11.286 1.00 0.00 O ATOM 240 OE2 GLU A 15 -8.993 0.759 12.320 1.00 0.00 O ATOM 0 H GLU A 15 -7.722 0.277 9.203 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.628 1.918 11.185 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -6.266 -0.851 10.218 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.023 -0.180 11.254 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -6.741 -1.396 12.540 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -6.648 0.291 13.005 1.00 0.00 H new ATOM 247 N ILE A 16 -4.865 1.633 8.452 1.00 0.00 N ATOM 248 CA ILE A 16 -3.668 2.114 7.782 1.00 0.00 C ATOM 249 C ILE A 16 -3.776 3.595 7.434 1.00 0.00 C ATOM 250 O ILE A 16 -2.768 4.250 7.155 1.00 0.00 O ATOM 251 CB ILE A 16 -3.354 1.316 6.507 1.00 0.00 C ATOM 252 CG1 ILE A 16 -3.498 -0.122 6.771 1.00 0.00 C ATOM 253 CG2 ILE A 16 -1.953 1.643 6.016 1.00 0.00 C ATOM 254 CD1 ILE A 16 -3.434 -0.949 5.518 1.00 0.00 C ATOM 0 H ILE A 16 -5.554 1.196 7.840 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.851 1.971 8.489 1.00 0.00 H new ATOM 0 HB ILE A 16 -4.060 1.595 5.725 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -2.711 -0.443 7.454 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -4.449 -0.302 7.273 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.742 1.072 5.112 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.884 2.708 5.796 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.227 1.384 6.787 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -3.546 -2.003 5.772 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -4.237 -0.651 4.844 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.473 -0.794 5.028 1.00 0.00 H new ATOM 266 N LEU A 17 -4.994 4.126 7.463 1.00 0.00 N ATOM 267 CA LEU A 17 -5.209 5.535 7.158 1.00 0.00 C ATOM 268 C LEU A 17 -5.480 6.319 8.439 1.00 0.00 C ATOM 269 O LEU A 17 -6.013 7.424 8.407 1.00 0.00 O ATOM 270 CB LEU A 17 -6.366 5.706 6.177 1.00 0.00 C ATOM 271 CG LEU A 17 -5.987 5.636 4.699 1.00 0.00 C ATOM 272 CD1 LEU A 17 -7.228 5.720 3.820 1.00 0.00 C ATOM 273 CD2 LEU A 17 -5.000 6.740 4.342 1.00 0.00 C ATOM 0 H LEU A 17 -5.841 3.606 7.693 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.305 5.926 6.692 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.110 4.936 6.381 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.843 6.668 6.367 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.504 4.676 4.517 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.935 5.668 2.771 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -7.895 4.890 4.052 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -7.743 6.662 4.007 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -4.744 6.671 3.285 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.452 7.711 4.543 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.097 6.629 4.942 1.00 0.00 H new ATOM 285 N ALA A 18 -5.108 5.726 9.569 1.00 0.00 N ATOM 286 CA ALA A 18 -5.298 6.348 10.869 1.00 0.00 C ATOM 287 C ALA A 18 -4.086 7.191 11.261 1.00 0.00 C ATOM 288 O ALA A 18 -4.152 8.412 11.275 1.00 0.00 O ATOM 289 CB ALA A 18 -5.589 5.293 11.926 1.00 0.00 C ATOM 0 H ALA A 18 -4.669 4.806 9.607 1.00 0.00 H new ATOM 0 HA ALA A 18 -6.157 7.015 10.802 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.729 5.776 12.893 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -6.495 4.749 11.658 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -4.752 4.597 11.985 1.00 0.00 H new ATOM 295 N ASN A 19 -2.991 6.518 11.607 1.00 0.00 N ATOM 296 CA ASN A 19 -1.784 7.212 12.006 1.00 0.00 C ATOM 297 C ASN A 19 -0.529 6.530 11.484 1.00 0.00 C ATOM 298 O ASN A 19 -0.560 5.399 10.985 1.00 0.00 O ATOM 299 CB ASN A 19 -1.730 7.329 13.530 1.00 0.00 C ATOM 300 CG ASN A 19 -1.355 6.026 14.213 1.00 0.00 C ATOM 301 OD1 ASN A 19 -0.353 5.957 14.906 1.00 0.00 O ATOM 302 ND2 ASN A 19 -2.173 4.999 14.034 1.00 0.00 N ATOM 0 H ASN A 19 -2.921 5.500 11.617 1.00 0.00 H new ATOM 0 HA ASN A 19 -1.816 8.208 11.564 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -1.007 8.097 13.804 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -2.701 7.659 13.898 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -1.976 4.105 14.485 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -3.000 5.102 13.446 1.00 0.00 H new ATOM 309 N LYS A 20 0.519 7.241 11.619 1.00 0.00 N ATOM 310 CA LYS A 20 1.818 6.733 11.177 1.00 0.00 C ATOM 311 C LYS A 20 2.122 5.391 11.827 1.00 0.00 C ATOM 312 O LYS A 20 2.569 4.463 11.168 1.00 0.00 O ATOM 313 CB LYS A 20 2.952 7.725 11.488 1.00 0.00 C ATOM 314 CG LYS A 20 2.501 9.138 11.818 1.00 0.00 C ATOM 315 CD LYS A 20 2.173 9.288 13.297 1.00 0.00 C ATOM 316 CE LYS A 20 1.497 10.612 13.581 1.00 0.00 C ATOM 317 NZ LYS A 20 1.857 11.142 14.934 1.00 0.00 N ATOM 0 H LYS A 20 0.537 8.176 12.026 1.00 0.00 H new ATOM 0 HA LYS A 20 1.761 6.605 10.096 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.531 7.340 12.328 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.623 7.766 10.630 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.285 9.844 11.545 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.623 9.389 11.222 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.524 8.471 13.612 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.088 9.212 13.884 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.783 11.337 12.819 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.416 10.490 13.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.374 12.050 15.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.561 10.462 15.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.886 11.283 14.989 1.00 0.00 H new ATOM 331 N ARG A 21 1.899 5.302 13.129 1.00 0.00 N ATOM 332 CA ARG A 21 2.170 4.067 13.855 1.00 0.00 C ATOM 333 C ARG A 21 1.502 2.863 13.181 1.00 0.00 C ATOM 334 O ARG A 21 1.943 1.728 13.363 1.00 0.00 O ATOM 335 CB ARG A 21 1.710 4.195 15.318 1.00 0.00 C ATOM 336 CG ARG A 21 0.393 3.506 15.637 1.00 0.00 C ATOM 337 CD ARG A 21 0.611 2.051 16.036 1.00 0.00 C ATOM 338 NE ARG A 21 0.537 1.865 17.486 1.00 0.00 N ATOM 339 CZ ARG A 21 0.862 0.738 18.104 1.00 0.00 C ATOM 340 NH1 ARG A 21 1.270 -0.258 17.411 1.00 0.00 N ATOM 341 NH2 ARG A 21 0.767 0.658 19.427 1.00 0.00 N ATOM 0 H ARG A 21 1.534 6.062 13.703 1.00 0.00 H new ATOM 0 HA ARG A 21 3.247 3.898 13.840 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.485 3.783 15.965 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.619 5.253 15.564 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -0.110 4.036 16.446 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -0.264 3.553 14.768 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -0.139 1.426 15.551 1.00 0.00 H new ATOM 0 HD3 ARG A 21 1.585 1.718 15.677 1.00 0.00 H new ATOM 0 HE ARG A 21 0.216 2.649 18.055 1.00 0.00 H new ATOM 0 HH11 ARG A 21 1.342 -0.178 16.397 1.00 0.00 H new ATOM 0 HH12 ARG A 21 1.523 -1.131 17.873 1.00 0.00 H new ATOM 0 HH21 ARG A 21 0.445 1.463 19.965 1.00 0.00 H new ATOM 0 HH22 ARG A 21 1.016 -0.208 19.905 1.00 0.00 H new ATOM 355 N LEU A 22 0.451 3.112 12.402 1.00 0.00 N ATOM 356 CA LEU A 22 -0.181 2.030 11.723 1.00 0.00 C ATOM 357 C LEU A 22 0.265 1.849 10.306 1.00 0.00 C ATOM 358 O LEU A 22 0.791 0.792 9.957 1.00 0.00 O ATOM 359 CB LEU A 22 -1.671 2.285 11.707 1.00 0.00 C ATOM 360 CG LEU A 22 -2.397 1.976 13.025 1.00 0.00 C ATOM 361 CD1 LEU A 22 -3.685 2.769 13.128 1.00 0.00 C ATOM 362 CD2 LEU A 22 -2.671 0.485 13.138 1.00 0.00 C ATOM 0 H LEU A 22 0.043 4.033 12.240 1.00 0.00 H new ATOM 0 HA LEU A 22 0.093 1.124 12.263 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.843 3.331 11.452 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.118 1.686 10.914 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.753 2.273 13.853 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.182 2.534 14.069 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.460 3.835 13.092 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.340 2.509 12.297 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.186 0.280 14.077 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.296 0.166 12.304 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.728 -0.061 13.115 1.00 0.00 H new ATOM 374 N LEU A 23 0.134 2.880 9.482 1.00 0.00 N ATOM 375 CA LEU A 23 0.612 2.803 8.104 1.00 0.00 C ATOM 376 C LEU A 23 2.084 2.423 8.093 1.00 0.00 C ATOM 377 O LEU A 23 2.537 1.644 7.246 1.00 0.00 O ATOM 378 CB LEU A 23 0.398 4.133 7.389 1.00 0.00 C ATOM 379 CG LEU A 23 0.873 5.371 8.157 1.00 0.00 C ATOM 380 CD1 LEU A 23 2.260 5.789 7.695 1.00 0.00 C ATOM 381 CD2 LEU A 23 -0.050 6.514 7.989 1.00 0.00 C ATOM 0 H LEU A 23 -0.294 3.770 9.737 1.00 0.00 H new ATOM 0 HA LEU A 23 0.044 2.038 7.574 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.916 4.099 6.430 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.665 4.244 7.174 1.00 0.00 H new ATOM 0 HG LEU A 23 0.898 5.096 9.211 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.579 6.670 8.252 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.963 4.974 7.870 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.234 6.023 6.631 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.325 7.370 8.550 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.118 6.774 6.933 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.038 6.241 8.360 1.00 0.00 H new ATOM 393 N VAL A 24 2.821 2.965 9.056 1.00 0.00 N ATOM 394 CA VAL A 24 4.238 2.686 9.184 1.00 0.00 C ATOM 395 C VAL A 24 4.448 1.269 9.699 1.00 0.00 C ATOM 396 O VAL A 24 5.284 0.538 9.189 1.00 0.00 O ATOM 397 CB VAL A 24 4.940 3.683 10.129 1.00 0.00 C ATOM 398 CG1 VAL A 24 6.403 3.296 10.326 1.00 0.00 C ATOM 399 CG2 VAL A 24 4.824 5.097 9.593 1.00 0.00 C ATOM 0 H VAL A 24 2.453 3.604 9.761 1.00 0.00 H new ATOM 0 HA VAL A 24 4.680 2.792 8.193 1.00 0.00 H new ATOM 0 HB VAL A 24 4.445 3.645 11.099 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.881 4.011 10.995 1.00 0.00 H new ATOM 0 HG12 VAL A 24 6.460 2.298 10.760 1.00 0.00 H new ATOM 0 HG13 VAL A 24 6.914 3.303 9.363 1.00 0.00 H new ATOM 0 HG21 VAL A 24 5.325 5.786 10.273 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.292 5.153 8.610 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.772 5.370 9.510 1.00 0.00 H new ATOM 409 N ALA A 25 3.672 0.891 10.706 1.00 0.00 N ATOM 410 CA ALA A 25 3.777 -0.376 11.281 1.00 0.00 C ATOM 411 C ALA A 25 3.723 -1.416 10.192 1.00 0.00 C ATOM 412 O ALA A 25 4.601 -2.276 10.090 1.00 0.00 O ATOM 413 CB ALA A 25 2.684 -0.605 12.310 1.00 0.00 C ATOM 0 H ALA A 25 2.957 1.485 11.126 1.00 0.00 H new ATOM 0 HA ALA A 25 4.730 -0.453 11.805 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.792 -1.601 12.740 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.765 0.142 13.099 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.709 -0.521 11.830 1.00 0.00 H new ATOM 419 N TYR A 26 2.705 -1.325 9.347 1.00 0.00 N ATOM 420 CA TYR A 26 2.563 -2.267 8.241 1.00 0.00 C ATOM 421 C TYR A 26 3.757 -2.110 7.310 1.00 0.00 C ATOM 422 O TYR A 26 4.418 -3.087 6.960 1.00 0.00 O ATOM 423 CB TYR A 26 1.268 -2.027 7.467 1.00 0.00 C ATOM 424 CG TYR A 26 0.968 -3.123 6.462 1.00 0.00 C ATOM 425 CD1 TYR A 26 0.804 -4.438 6.865 1.00 0.00 C ATOM 426 CD2 TYR A 26 0.861 -2.833 5.110 1.00 0.00 C ATOM 427 CE1 TYR A 26 0.541 -5.439 5.947 1.00 0.00 C ATOM 428 CE2 TYR A 26 0.589 -3.826 4.186 1.00 0.00 C ATOM 429 CZ TYR A 26 0.435 -5.120 4.612 1.00 0.00 C ATOM 430 OH TYR A 26 0.170 -6.116 3.692 1.00 0.00 O ATOM 0 H TYR A 26 1.972 -0.618 9.403 1.00 0.00 H new ATOM 0 HA TYR A 26 2.525 -3.279 8.644 1.00 0.00 H new ATOM 0 HB2 TYR A 26 0.439 -1.950 8.171 1.00 0.00 H new ATOM 0 HB3 TYR A 26 1.334 -1.072 6.946 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.883 -4.686 7.913 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.992 -1.815 4.773 1.00 0.00 H new ATOM 0 HE1 TYR A 26 0.420 -6.461 6.275 1.00 0.00 H new ATOM 0 HE2 TYR A 26 0.499 -3.584 3.137 1.00 0.00 H new ATOM 0 HH TYR A 26 0.359 -5.786 2.789 1.00 0.00 H new ATOM 440 N VAL A 27 4.036 -0.868 6.931 1.00 0.00 N ATOM 441 CA VAL A 27 5.165 -0.583 6.059 1.00 0.00 C ATOM 442 C VAL A 27 6.445 -1.175 6.622 1.00 0.00 C ATOM 443 O VAL A 27 7.262 -1.719 5.880 1.00 0.00 O ATOM 444 CB VAL A 27 5.339 0.867 5.857 1.00 0.00 C ATOM 445 CG1 VAL A 27 6.648 1.173 5.135 1.00 0.00 C ATOM 446 CG2 VAL A 27 4.164 1.442 5.085 1.00 0.00 C ATOM 0 H VAL A 27 3.499 -0.048 7.213 1.00 0.00 H new ATOM 0 HA VAL A 27 4.951 -1.043 5.094 1.00 0.00 H new ATOM 0 HB VAL A 27 5.378 1.338 6.839 1.00 0.00 H new ATOM 0 HG11 VAL A 27 6.747 2.250 5.001 1.00 0.00 H new ATOM 0 HG12 VAL A 27 7.485 0.803 5.727 1.00 0.00 H new ATOM 0 HG13 VAL A 27 6.649 0.685 4.160 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.310 2.513 4.945 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.095 0.955 4.112 1.00 0.00 H new ATOM 0 HG23 VAL A 27 3.243 1.271 5.643 1.00 0.00 H new ATOM 456 N ASN A 28 6.620 -1.083 7.938 1.00 0.00 N ATOM 457 CA ASN A 28 7.796 -1.646 8.576 1.00 0.00 C ATOM 458 C ASN A 28 7.686 -3.162 8.620 1.00 0.00 C ATOM 459 O ASN A 28 8.686 -3.873 8.646 1.00 0.00 O ATOM 460 CB ASN A 28 7.966 -1.084 9.998 1.00 0.00 C ATOM 461 CG ASN A 28 8.821 0.088 10.023 1.00 0.00 C ATOM 462 OD1 ASN A 28 8.913 0.806 9.038 1.00 0.00 O ATOM 463 ND2 ASN A 28 9.460 0.341 11.162 1.00 0.00 N ATOM 0 H ASN A 28 5.966 -0.627 8.574 1.00 0.00 H new ATOM 0 HA ASN A 28 8.674 -1.369 7.992 1.00 0.00 H new ATOM 0 HB2 ASN A 28 6.988 -0.828 10.405 1.00 0.00 H new ATOM 0 HB3 ASN A 28 8.388 -1.854 10.644 1.00 0.00 H new ATOM 0 HD21 ASN A 28 10.058 1.164 11.239 1.00 0.00 H new ATOM 0 HD22 ASN A 28 9.352 -0.288 11.958 1.00 0.00 H new ATOM 470 N CYS A 29 6.449 -3.644 8.620 1.00 0.00 N ATOM 471 CA CYS A 29 6.178 -5.063 8.647 1.00 0.00 C ATOM 472 C CYS A 29 6.462 -5.671 7.282 1.00 0.00 C ATOM 473 O CYS A 29 6.912 -6.807 7.185 1.00 0.00 O ATOM 474 CB CYS A 29 4.725 -5.306 9.051 1.00 0.00 C ATOM 475 SG CYS A 29 4.450 -5.293 10.850 1.00 0.00 S ATOM 0 H CYS A 29 5.614 -3.059 8.601 1.00 0.00 H new ATOM 0 HA CYS A 29 6.828 -5.540 9.381 1.00 0.00 H new ATOM 0 HB2 CYS A 29 4.097 -4.542 8.592 1.00 0.00 H new ATOM 0 HB3 CYS A 29 4.402 -6.267 8.651 1.00 0.00 H new ATOM 480 N VAL A 30 6.213 -4.896 6.222 1.00 0.00 N ATOM 481 CA VAL A 30 6.465 -5.366 4.865 1.00 0.00 C ATOM 482 C VAL A 30 7.940 -5.726 4.694 1.00 0.00 C ATOM 483 O VAL A 30 8.290 -6.617 3.932 1.00 0.00 O ATOM 484 CB VAL A 30 6.069 -4.314 3.808 1.00 0.00 C ATOM 485 CG1 VAL A 30 6.312 -4.850 2.401 1.00 0.00 C ATOM 486 CG2 VAL A 30 4.618 -3.898 3.971 1.00 0.00 C ATOM 0 H VAL A 30 5.840 -3.948 6.281 1.00 0.00 H new ATOM 0 HA VAL A 30 5.848 -6.251 4.711 1.00 0.00 H new ATOM 0 HB VAL A 30 6.694 -3.434 3.959 1.00 0.00 H new ATOM 0 HG11 VAL A 30 6.027 -4.094 1.669 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.368 -5.091 2.281 1.00 0.00 H new ATOM 0 HG13 VAL A 30 5.715 -5.749 2.246 1.00 0.00 H new ATOM 0 HG21 VAL A 30 4.365 -3.156 3.214 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.974 -4.770 3.854 1.00 0.00 H new ATOM 0 HG23 VAL A 30 4.472 -3.469 4.962 1.00 0.00 H new ATOM 496 N MET A 31 8.794 -5.015 5.428 1.00 0.00 N ATOM 497 CA MET A 31 10.231 -5.262 5.378 1.00 0.00 C ATOM 498 C MET A 31 10.556 -6.687 5.822 1.00 0.00 C ATOM 499 O MET A 31 11.619 -7.216 5.506 1.00 0.00 O ATOM 500 CB MET A 31 10.976 -4.258 6.257 1.00 0.00 C ATOM 501 CG MET A 31 12.286 -3.763 5.646 1.00 0.00 C ATOM 502 SD MET A 31 13.697 -4.773 6.116 1.00 0.00 S ATOM 503 CE MET A 31 13.898 -5.770 4.645 1.00 0.00 C ATOM 0 H MET A 31 8.516 -4.266 6.062 1.00 0.00 H new ATOM 0 HA MET A 31 10.558 -5.140 4.345 1.00 0.00 H new ATOM 0 HB2 MET A 31 10.327 -3.403 6.447 1.00 0.00 H new ATOM 0 HB3 MET A 31 11.186 -4.719 7.222 1.00 0.00 H new ATOM 0 HG2 MET A 31 12.195 -3.756 4.560 1.00 0.00 H new ATOM 0 HG3 MET A 31 12.461 -2.733 5.958 1.00 0.00 H new ATOM 0 HE1 MET A 31 14.107 -6.801 4.930 1.00 0.00 H new ATOM 0 HE2 MET A 31 12.983 -5.735 4.054 1.00 0.00 H new ATOM 0 HE3 MET A 31 14.727 -5.382 4.053 1.00 0.00 H new ATOM 513 N GLU A 32 9.619 -7.300 6.549 1.00 0.00 N ATOM 514 CA GLU A 32 9.798 -8.672 7.038 1.00 0.00 C ATOM 515 C GLU A 32 10.701 -8.702 8.263 1.00 0.00 C ATOM 516 O GLU A 32 11.823 -9.207 8.209 1.00 0.00 O ATOM 517 CB GLU A 32 10.365 -9.574 5.938 1.00 0.00 C ATOM 518 CG GLU A 32 9.816 -10.994 5.970 1.00 0.00 C ATOM 519 CD GLU A 32 10.880 -12.029 5.640 1.00 0.00 C ATOM 520 OE1 GLU A 32 11.719 -11.759 4.761 1.00 0.00 O ATOM 521 OE2 GLU A 32 10.859 -13.115 6.260 1.00 0.00 O ATOM 0 H GLU A 32 8.732 -6.871 6.812 1.00 0.00 H new ATOM 0 HA GLU A 32 8.818 -9.052 7.325 1.00 0.00 H new ATOM 0 HB2 GLU A 32 10.145 -9.130 4.967 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.450 -9.611 6.033 1.00 0.00 H new ATOM 0 HG2 GLU A 32 9.405 -11.201 6.958 1.00 0.00 H new ATOM 0 HG3 GLU A 32 8.995 -11.080 5.259 1.00 0.00 H new ATOM 528 N ARG A 33 10.200 -8.179 9.375 1.00 0.00 N ATOM 529 CA ARG A 33 10.950 -8.148 10.612 1.00 0.00 C ATOM 530 C ARG A 33 10.704 -9.419 11.427 1.00 0.00 C ATOM 531 O ARG A 33 11.517 -9.795 12.273 1.00 0.00 O ATOM 532 CB ARG A 33 10.563 -6.922 11.444 1.00 0.00 C ATOM 533 CG ARG A 33 9.113 -6.921 11.883 1.00 0.00 C ATOM 534 CD ARG A 33 8.953 -7.472 13.294 1.00 0.00 C ATOM 535 NE ARG A 33 8.634 -6.411 14.257 1.00 0.00 N ATOM 536 CZ ARG A 33 8.306 -6.648 15.526 1.00 0.00 C ATOM 537 NH1 ARG A 33 8.253 -7.885 15.990 1.00 0.00 N ATOM 538 NH2 ARG A 33 8.030 -5.631 16.333 1.00 0.00 N ATOM 0 H ARG A 33 9.268 -7.769 9.439 1.00 0.00 H new ATOM 0 HA ARG A 33 12.009 -8.089 10.361 1.00 0.00 H new ATOM 0 HB2 ARG A 33 11.201 -6.876 12.326 1.00 0.00 H new ATOM 0 HB3 ARG A 33 10.758 -6.022 10.862 1.00 0.00 H new ATOM 0 HG2 ARG A 33 8.721 -5.905 11.842 1.00 0.00 H new ATOM 0 HG3 ARG A 33 8.522 -7.519 11.189 1.00 0.00 H new ATOM 0 HD2 ARG A 33 8.163 -8.223 13.304 1.00 0.00 H new ATOM 0 HD3 ARG A 33 9.873 -7.973 13.596 1.00 0.00 H new ATOM 0 HE ARG A 33 8.665 -5.443 13.938 1.00 0.00 H new ATOM 0 HH11 ARG A 33 8.465 -8.670 15.374 1.00 0.00 H new ATOM 0 HH12 ARG A 33 8.001 -8.054 16.964 1.00 0.00 H new ATOM 0 HH21 ARG A 33 8.070 -4.675 15.980 1.00 0.00 H new ATOM 0 HH22 ARG A 33 7.778 -5.806 17.306 1.00 0.00 H new ATOM 552 N GLY A 34 9.584 -10.080 11.169 1.00 0.00 N ATOM 553 CA GLY A 34 9.246 -11.300 11.872 1.00 0.00 C ATOM 554 C GLY A 34 7.752 -11.569 11.885 1.00 0.00 C ATOM 555 O GLY A 34 7.044 -11.117 12.780 1.00 0.00 O ATOM 0 H GLY A 34 8.896 -9.787 10.476 1.00 0.00 H new ATOM 0 HA2 GLY A 34 9.759 -12.140 11.403 1.00 0.00 H new ATOM 0 HA3 GLY A 34 9.609 -11.237 12.898 1.00 0.00 H new ATOM 559 N LYS A 35 7.288 -12.311 10.885 1.00 0.00 N ATOM 560 CA LYS A 35 5.869 -12.647 10.777 1.00 0.00 C ATOM 561 C LYS A 35 5.018 -11.381 10.698 1.00 0.00 C ATOM 562 O LYS A 35 4.116 -11.170 11.500 1.00 0.00 O ATOM 563 CB LYS A 35 5.433 -13.495 11.981 1.00 0.00 C ATOM 564 CG LYS A 35 5.520 -14.992 11.728 1.00 0.00 C ATOM 565 CD LYS A 35 5.977 -15.742 12.965 1.00 0.00 C ATOM 566 CE LYS A 35 7.461 -16.075 12.891 1.00 0.00 C ATOM 567 NZ LYS A 35 7.850 -17.088 13.904 1.00 0.00 N ATOM 0 H LYS A 35 7.870 -12.691 10.139 1.00 0.00 H new ATOM 0 HA LYS A 35 5.722 -13.222 9.862 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.056 -13.242 12.839 1.00 0.00 H new ATOM 0 HB3 LYS A 35 4.407 -13.238 12.245 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.545 -15.366 11.415 1.00 0.00 H new ATOM 0 HG3 LYS A 35 6.213 -15.183 10.909 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.781 -15.139 13.852 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.400 -16.661 13.070 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.701 -16.447 11.895 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.045 -15.167 13.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 8.867 -17.288 13.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 7.645 -16.723 14.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 7.311 -17.963 13.745 1.00 0.00 H new ATOM 581 N CYS A 36 5.315 -10.559 9.699 1.00 0.00 N ATOM 582 CA CYS A 36 4.583 -9.321 9.492 1.00 0.00 C ATOM 583 C CYS A 36 4.513 -8.993 8.003 1.00 0.00 C ATOM 584 O CYS A 36 3.457 -8.630 7.486 1.00 0.00 O ATOM 585 CB CYS A 36 5.231 -8.175 10.267 1.00 0.00 C ATOM 586 SG CYS A 36 4.077 -7.237 11.307 1.00 0.00 S ATOM 0 H CYS A 36 6.058 -10.729 9.021 1.00 0.00 H new ATOM 0 HA CYS A 36 3.568 -9.451 9.867 1.00 0.00 H new ATOM 0 HB2 CYS A 36 6.024 -8.579 10.896 1.00 0.00 H new ATOM 0 HB3 CYS A 36 5.702 -7.493 9.559 1.00 0.00 H new ATOM 591 N SER A 37 5.650 -9.120 7.318 1.00 0.00 N ATOM 592 CA SER A 37 5.706 -8.850 5.888 1.00 0.00 C ATOM 593 C SER A 37 4.780 -9.799 5.131 1.00 0.00 C ATOM 594 O SER A 37 3.879 -9.362 4.416 1.00 0.00 O ATOM 595 CB SER A 37 7.141 -8.995 5.371 1.00 0.00 C ATOM 596 OG SER A 37 7.166 -9.308 3.989 1.00 0.00 O ATOM 0 H SER A 37 6.538 -9.407 7.731 1.00 0.00 H new ATOM 0 HA SER A 37 5.375 -7.825 5.719 1.00 0.00 H new ATOM 0 HB2 SER A 37 7.687 -8.068 5.545 1.00 0.00 H new ATOM 0 HB3 SER A 37 7.654 -9.777 5.932 1.00 0.00 H new ATOM 0 HG SER A 37 7.535 -8.550 3.489 1.00 0.00 H new ATOM 602 N PRO A 38 4.976 -11.115 5.293 1.00 0.00 N ATOM 603 CA PRO A 38 4.147 -12.123 4.628 1.00 0.00 C ATOM 604 C PRO A 38 2.740 -12.179 5.214 1.00 0.00 C ATOM 605 O PRO A 38 1.830 -12.759 4.619 1.00 0.00 O ATOM 606 CB PRO A 38 4.889 -13.435 4.896 1.00 0.00 C ATOM 607 CG PRO A 38 5.643 -13.191 6.157 1.00 0.00 C ATOM 608 CD PRO A 38 6.025 -11.738 6.138 1.00 0.00 C ATOM 0 HA PRO A 38 4.013 -11.908 3.568 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.194 -14.268 5.005 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.561 -13.685 4.075 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.030 -13.422 7.029 1.00 0.00 H new ATOM 0 HG3 PRO A 38 6.527 -13.826 6.212 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.037 -11.313 7.142 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.020 -11.590 5.717 1.00 0.00 H new ATOM 616 N GLU A 39 2.548 -11.566 6.386 1.00 0.00 N ATOM 617 CA GLU A 39 1.252 -11.555 7.032 1.00 0.00 C ATOM 618 C GLU A 39 0.245 -10.789 6.181 1.00 0.00 C ATOM 619 O GLU A 39 -0.319 -11.370 5.298 1.00 0.00 O ATOM 620 CB GLU A 39 1.354 -10.942 8.430 1.00 0.00 C ATOM 621 CG GLU A 39 1.589 -11.966 9.524 1.00 0.00 C ATOM 622 CD GLU A 39 0.355 -12.217 10.363 1.00 0.00 C ATOM 623 OE1 GLU A 39 -0.434 -13.017 9.926 1.00 0.00 O ATOM 624 OE2 GLU A 39 0.245 -11.623 11.455 1.00 0.00 O ATOM 0 H GLU A 39 3.280 -11.074 6.899 1.00 0.00 H new ATOM 0 HA GLU A 39 0.906 -12.583 7.136 1.00 0.00 H new ATOM 0 HB2 GLU A 39 2.167 -10.217 8.442 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.436 -10.395 8.646 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.915 -12.904 9.074 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.398 -11.624 10.169 1.00 0.00 H new ATOM 631 N GLY A 40 0.102 -9.480 6.445 1.00 0.00 N ATOM 632 CA GLY A 40 -0.764 -8.640 5.696 1.00 0.00 C ATOM 633 C GLY A 40 -1.839 -9.441 4.991 1.00 0.00 C ATOM 634 O GLY A 40 -2.018 -9.331 3.785 1.00 0.00 O ATOM 0 H GLY A 40 0.600 -8.999 7.195 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.228 -7.910 6.359 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.185 -8.080 4.962 1.00 0.00 H new ATOM 638 N LYS A 41 -2.525 -10.291 5.754 1.00 0.00 N ATOM 639 CA LYS A 41 -3.556 -11.161 5.214 1.00 0.00 C ATOM 640 C LYS A 41 -4.613 -10.399 4.437 1.00 0.00 C ATOM 641 O LYS A 41 -4.975 -10.789 3.335 1.00 0.00 O ATOM 642 CB LYS A 41 -4.214 -11.965 6.337 1.00 0.00 C ATOM 643 CG LYS A 41 -4.716 -13.327 5.898 1.00 0.00 C ATOM 644 CD LYS A 41 -6.149 -13.244 5.379 1.00 0.00 C ATOM 645 CE LYS A 41 -6.732 -14.637 5.156 1.00 0.00 C ATOM 646 NZ LYS A 41 -8.216 -14.643 5.303 1.00 0.00 N ATOM 0 H LYS A 41 -2.379 -10.392 6.758 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.065 -11.838 4.515 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -3.496 -12.096 7.147 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.049 -11.392 6.741 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -4.066 -13.723 5.118 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.669 -14.023 6.736 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.767 -12.697 6.092 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.169 -12.684 4.444 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.463 -14.989 4.160 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -6.293 -15.334 5.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -8.577 -15.606 5.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -8.471 -14.331 6.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -8.637 -13.997 4.605 1.00 0.00 H new ATOM 660 N GLU A 42 -5.124 -9.318 5.007 1.00 0.00 N ATOM 661 CA GLU A 42 -6.148 -8.531 4.335 1.00 0.00 C ATOM 662 C GLU A 42 -5.596 -7.900 3.068 1.00 0.00 C ATOM 663 O GLU A 42 -6.224 -7.942 2.009 1.00 0.00 O ATOM 664 CB GLU A 42 -6.702 -7.455 5.264 1.00 0.00 C ATOM 665 CG GLU A 42 -8.159 -7.106 4.995 1.00 0.00 C ATOM 666 CD GLU A 42 -9.089 -7.615 6.083 1.00 0.00 C ATOM 667 OE1 GLU A 42 -9.149 -8.844 6.284 1.00 0.00 O ATOM 668 OE2 GLU A 42 -9.760 -6.781 6.723 1.00 0.00 O ATOM 0 H GLU A 42 -4.850 -8.968 5.925 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.962 -9.202 4.061 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.603 -7.792 6.296 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.097 -6.554 5.163 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.261 -6.024 4.911 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -8.460 -7.529 4.037 1.00 0.00 H new ATOM 675 N LEU A 43 -4.405 -7.328 3.179 1.00 0.00 N ATOM 676 CA LEU A 43 -3.762 -6.695 2.042 1.00 0.00 C ATOM 677 C LEU A 43 -3.277 -7.739 1.039 1.00 0.00 C ATOM 678 O LEU A 43 -3.123 -7.439 -0.103 1.00 0.00 O ATOM 679 CB LEU A 43 -2.594 -5.835 2.520 1.00 0.00 C ATOM 680 CG LEU A 43 -2.909 -4.988 3.758 1.00 0.00 C ATOM 681 CD1 LEU A 43 -2.363 -5.648 5.013 1.00 0.00 C ATOM 682 CD2 LEU A 43 -2.356 -3.580 3.601 1.00 0.00 C ATOM 0 H LEU A 43 -3.867 -7.291 4.045 1.00 0.00 H new ATOM 0 HA LEU A 43 -4.492 -6.060 1.540 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.746 -6.483 2.742 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.287 -5.175 1.709 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.992 -4.917 3.857 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.597 -5.031 5.880 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.817 -6.631 5.134 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.282 -5.756 4.926 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.591 -2.996 4.491 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.275 -3.626 3.472 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.806 -3.108 2.728 1.00 0.00 H new ATOM 694 N LYS A 44 -3.068 -8.970 1.510 1.00 0.00 N ATOM 695 CA LYS A 44 -2.628 -10.034 0.621 1.00 0.00 C ATOM 696 C LYS A 44 -3.837 -10.667 -0.014 1.00 0.00 C ATOM 697 O LYS A 44 -3.801 -10.988 -1.165 1.00 0.00 O ATOM 698 CB LYS A 44 -1.833 -11.092 1.391 1.00 0.00 C ATOM 699 CG LYS A 44 -1.254 -12.186 0.509 1.00 0.00 C ATOM 700 CD LYS A 44 -1.202 -13.520 1.238 1.00 0.00 C ATOM 701 CE LYS A 44 -2.440 -14.348 0.964 1.00 0.00 C ATOM 702 NZ LYS A 44 -2.187 -15.806 1.153 1.00 0.00 N ATOM 0 H LYS A 44 -3.195 -9.247 2.484 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.978 -9.613 -0.146 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.020 -10.603 1.928 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.482 -11.547 2.140 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -1.858 -12.286 -0.393 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -0.250 -11.905 0.190 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.316 -14.073 0.925 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -1.108 -13.347 2.310 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.244 -14.030 1.628 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.779 -14.168 -0.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.059 -16.338 0.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -1.438 -16.116 0.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -1.888 -15.982 2.133 1.00 0.00 H new ATOM 716 N GLU A 45 -4.915 -10.811 0.707 1.00 0.00 N ATOM 717 CA GLU A 45 -6.143 -11.355 0.170 1.00 0.00 C ATOM 718 C GLU A 45 -6.696 -10.377 -0.781 1.00 0.00 C ATOM 719 O GLU A 45 -7.280 -10.765 -1.784 1.00 0.00 O ATOM 720 CB GLU A 45 -7.169 -11.597 1.279 1.00 0.00 C ATOM 721 CG GLU A 45 -7.973 -12.871 1.093 1.00 0.00 C ATOM 722 CD GLU A 45 -9.452 -12.675 1.373 1.00 0.00 C ATOM 723 OE1 GLU A 45 -9.794 -12.197 2.473 1.00 0.00 O ATOM 724 OE2 GLU A 45 -10.271 -12.998 0.485 1.00 0.00 O ATOM 0 H GLU A 45 -4.972 -10.554 1.692 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.930 -12.307 -0.316 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.652 -11.640 2.238 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.852 -10.749 1.322 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.845 -13.231 0.072 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.581 -13.643 1.755 1.00 0.00 H new ATOM 731 N HIS A 46 -6.471 -9.090 -0.523 1.00 0.00 N ATOM 732 CA HIS A 46 -6.910 -8.037 -1.397 1.00 0.00 C ATOM 733 C HIS A 46 -6.063 -8.024 -2.664 1.00 0.00 C ATOM 734 O HIS A 46 -6.598 -8.178 -3.761 1.00 0.00 O ATOM 735 CB HIS A 46 -6.823 -6.675 -0.706 1.00 0.00 C ATOM 736 CG HIS A 46 -7.768 -5.657 -1.261 1.00 0.00 C ATOM 737 ND1 HIS A 46 -7.604 -4.299 -1.082 1.00 0.00 N ATOM 738 CD2 HIS A 46 -8.899 -5.807 -1.988 1.00 0.00 C ATOM 739 CE1 HIS A 46 -8.596 -3.655 -1.681 1.00 0.00 C ATOM 740 NE2 HIS A 46 -9.387 -4.550 -2.242 1.00 0.00 N ATOM 0 H HIS A 46 -5.976 -8.761 0.306 1.00 0.00 H new ATOM 0 HA HIS A 46 -7.952 -8.226 -1.656 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -7.025 -6.804 0.357 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -5.804 -6.298 -0.793 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -9.336 -6.741 -2.308 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -8.733 -2.584 -1.706 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -10.228 -4.340 -2.779 1.00 0.00 H new ATOM 749 N LEU A 47 -4.742 -7.836 -2.508 1.00 0.00 N ATOM 750 CA LEU A 47 -3.801 -7.797 -3.636 1.00 0.00 C ATOM 751 C LEU A 47 -2.578 -6.952 -3.314 1.00 0.00 C ATOM 752 O LEU A 47 -2.658 -5.725 -3.249 1.00 0.00 O ATOM 753 CB LEU A 47 -4.448 -7.251 -4.924 1.00 0.00 C ATOM 754 CG LEU A 47 -4.759 -5.751 -4.936 1.00 0.00 C ATOM 755 CD1 LEU A 47 -5.626 -5.407 -6.134 1.00 0.00 C ATOM 756 CD2 LEU A 47 -5.436 -5.307 -3.647 1.00 0.00 C ATOM 0 H LEU A 47 -4.299 -7.707 -1.598 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.501 -8.831 -3.804 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.786 -7.471 -5.761 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.376 -7.796 -5.100 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.813 -5.215 -5.012 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.841 -4.338 -6.133 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -5.100 -5.670 -7.052 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -6.561 -5.965 -6.079 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.641 -4.237 -3.693 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.372 -5.851 -3.522 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.780 -5.515 -2.801 1.00 0.00 H new ATOM 768 N GLN A 48 -1.427 -7.599 -3.152 1.00 0.00 N ATOM 769 CA GLN A 48 -0.206 -6.879 -2.887 1.00 0.00 C ATOM 770 C GLN A 48 0.198 -6.237 -4.188 1.00 0.00 C ATOM 771 O GLN A 48 1.314 -6.480 -4.656 1.00 0.00 O ATOM 772 CB GLN A 48 0.820 -7.831 -2.358 1.00 0.00 C ATOM 773 CG GLN A 48 1.730 -7.200 -1.328 1.00 0.00 C ATOM 774 CD GLN A 48 0.994 -6.766 -0.114 1.00 0.00 C ATOM 775 OE1 GLN A 48 0.505 -5.641 -0.029 1.00 0.00 O ATOM 776 NE2 GLN A 48 0.915 -7.672 0.814 1.00 0.00 N ATOM 0 H GLN A 48 -1.324 -8.613 -3.201 1.00 0.00 H new ATOM 0 HA GLN A 48 -0.323 -6.104 -2.129 1.00 0.00 H new ATOM 0 HB2 GLN A 48 0.317 -8.690 -1.914 1.00 0.00 H new ATOM 0 HB3 GLN A 48 1.421 -8.207 -3.186 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.504 -7.913 -1.045 1.00 0.00 H new ATOM 0 HG3 GLN A 48 2.235 -6.341 -1.770 1.00 0.00 H new ATOM 0 HE21 GLN A 48 1.346 -8.586 0.673 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.422 -7.470 1.684 1.00 0.00 H new ATOM 785 N ASP A 49 -0.608 -5.441 -4.787 1.00 0.00 N ATOM 786 CA ASP A 49 -0.313 -4.789 -6.060 1.00 0.00 C ATOM 787 C ASP A 49 -0.336 -5.819 -7.191 1.00 0.00 C ATOM 788 O ASP A 49 0.110 -5.555 -8.273 1.00 0.00 O ATOM 789 CB ASP A 49 0.959 -4.075 -6.009 1.00 0.00 C ATOM 790 CG ASP A 49 0.963 -2.775 -6.782 1.00 0.00 C ATOM 791 OD1 ASP A 49 -0.027 -2.466 -7.417 1.00 0.00 O ATOM 792 OD2 ASP A 49 1.989 -2.065 -6.753 1.00 0.00 O ATOM 0 H ASP A 49 -1.527 -5.201 -4.414 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.085 -4.045 -6.257 1.00 0.00 H new ATOM 0 HB2 ASP A 49 1.207 -3.868 -4.968 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.744 -4.722 -6.401 1.00 0.00 H new ATOM 797 N ALA A 50 -0.932 -6.989 -6.924 1.00 0.00 N ATOM 798 CA ALA A 50 -1.021 -8.081 -7.910 1.00 0.00 C ATOM 799 C ALA A 50 -0.937 -9.443 -7.229 1.00 0.00 C ATOM 800 O ALA A 50 -1.290 -10.460 -7.815 1.00 0.00 O ATOM 801 CB ALA A 50 0.000 -7.971 -8.968 1.00 0.00 C ATOM 0 H ALA A 50 -1.364 -7.207 -6.026 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.995 -7.987 -8.390 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.110 -8.800 -9.667 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.127 -7.028 -9.500 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.993 -8.004 -8.520 1.00 0.00 H new ATOM 807 N ILE A 51 -0.454 -9.458 -5.986 1.00 0.00 N ATOM 808 CA ILE A 51 -0.309 -10.698 -5.225 1.00 0.00 C ATOM 809 C ILE A 51 0.856 -11.454 -5.689 1.00 0.00 C ATOM 810 O ILE A 51 1.765 -11.722 -4.902 1.00 0.00 O ATOM 811 CB ILE A 51 -1.534 -11.614 -5.356 1.00 0.00 C ATOM 812 CG1 ILE A 51 -2.827 -10.811 -5.184 1.00 0.00 C ATOM 813 CG2 ILE A 51 -1.472 -12.745 -4.339 1.00 0.00 C ATOM 814 CD1 ILE A 51 -3.927 -11.225 -6.151 1.00 0.00 C ATOM 0 H ILE A 51 -0.156 -8.622 -5.484 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.194 -10.399 -4.183 1.00 0.00 H new ATOM 0 HB ILE A 51 -1.528 -12.050 -6.355 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.187 -10.931 -4.162 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -2.610 -9.752 -5.324 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -2.350 -13.382 -4.449 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -0.571 -13.336 -4.506 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -1.451 -12.328 -3.332 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -4.814 -10.617 -5.975 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -3.585 -11.079 -7.176 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -4.171 -12.276 -5.996 1.00 0.00 H new ATOM 940 N GLU A 60 -8.952 -1.552 -10.815 1.00 0.00 N ATOM 941 CA GLU A 60 -9.958 -0.500 -10.911 1.00 0.00 C ATOM 942 C GLU A 60 -10.364 -0.034 -9.524 1.00 0.00 C ATOM 943 O GLU A 60 -9.774 0.826 -8.989 1.00 0.00 O ATOM 944 CB GLU A 60 -11.173 -0.985 -11.705 1.00 0.00 C ATOM 945 CG GLU A 60 -12.324 0.002 -11.716 1.00 0.00 C ATOM 946 CD GLU A 60 -13.316 -0.257 -12.837 1.00 0.00 C ATOM 947 OE1 GLU A 60 -12.877 -0.675 -13.926 1.00 0.00 O ATOM 948 OE2 GLU A 60 -14.528 -0.053 -12.620 1.00 0.00 O ATOM 0 HA GLU A 60 -9.527 0.347 -11.444 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -10.869 -1.187 -12.732 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.519 -1.929 -11.284 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -12.845 -0.044 -10.759 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.928 1.013 -11.815 1.00 0.00 H new ATOM 955 N ASN A 61 -11.349 -0.691 -8.927 1.00 0.00 N ATOM 956 CA ASN A 61 -11.789 -0.317 -7.587 1.00 0.00 C ATOM 957 C ASN A 61 -10.582 -0.248 -6.665 1.00 0.00 C ATOM 958 O ASN A 61 -10.342 0.682 -6.001 1.00 0.00 O ATOM 959 CB ASN A 61 -12.814 -1.326 -7.051 1.00 0.00 C ATOM 960 CG ASN A 61 -14.181 -0.703 -6.872 1.00 0.00 C ATOM 961 OD1 ASN A 61 -14.544 0.188 -7.563 1.00 0.00 O ATOM 962 ND2 ASN A 61 -14.956 -1.249 -5.936 1.00 0.00 N ATOM 0 H ASN A 61 -11.853 -1.475 -9.341 1.00 0.00 H new ATOM 0 HA ASN A 61 -12.270 0.660 -7.629 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.887 -2.169 -7.738 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -12.468 -1.722 -6.096 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -15.904 -0.901 -5.792 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -14.602 -2.015 -5.364 1.00 0.00 H new ATOM 969 N GLN A 62 -9.790 -1.312 -6.669 1.00 0.00 N ATOM 970 CA GLN A 62 -8.580 -1.359 -5.867 1.00 0.00 C ATOM 971 C GLN A 62 -7.666 -0.216 -6.269 1.00 0.00 C ATOM 972 O GLN A 62 -6.916 0.233 -5.452 1.00 0.00 O ATOM 973 CB GLN A 62 -7.863 -2.695 -6.056 1.00 0.00 C ATOM 974 CG GLN A 62 -7.650 -3.068 -7.510 1.00 0.00 C ATOM 975 CD GLN A 62 -6.186 -3.083 -7.901 1.00 0.00 C ATOM 976 OE1 GLN A 62 -5.381 -2.307 -7.379 1.00 0.00 O ATOM 977 NE2 GLN A 62 -5.820 -3.964 -8.828 1.00 0.00 N ATOM 0 H GLN A 62 -9.966 -2.153 -7.219 1.00 0.00 H new ATOM 0 HA GLN A 62 -8.847 -1.260 -4.815 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -6.896 -2.653 -5.555 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -8.441 -3.480 -5.569 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -8.082 -4.052 -7.696 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -8.184 -2.361 -8.144 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -6.513 -4.590 -9.238 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -4.847 -4.013 -9.129 1.00 0.00 H new ATOM 986 N GLU A 63 -7.746 0.121 -7.540 1.00 0.00 N ATOM 987 CA GLU A 63 -6.936 1.193 -8.044 1.00 0.00 C ATOM 988 C GLU A 63 -7.286 2.481 -7.328 1.00 0.00 C ATOM 989 O GLU A 63 -6.425 3.328 -7.109 1.00 0.00 O ATOM 990 CB GLU A 63 -7.149 1.334 -9.544 1.00 0.00 C ATOM 991 CG GLU A 63 -5.902 1.743 -10.309 1.00 0.00 C ATOM 992 CD GLU A 63 -6.187 2.706 -11.437 1.00 0.00 C ATOM 993 OE1 GLU A 63 -6.392 3.904 -11.147 1.00 0.00 O ATOM 994 OE2 GLU A 63 -6.208 2.274 -12.605 1.00 0.00 O ATOM 0 H GLU A 63 -8.354 -0.327 -8.226 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.884 0.973 -7.862 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -7.511 0.385 -9.940 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -7.931 2.073 -9.722 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -5.194 2.201 -9.619 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -5.422 0.852 -10.713 1.00 0.00 H new ATOM 1001 N LYS A 64 -8.557 2.645 -6.965 1.00 0.00 N ATOM 1002 CA LYS A 64 -8.993 3.842 -6.284 1.00 0.00 C ATOM 1003 C LYS A 64 -8.581 3.829 -4.818 1.00 0.00 C ATOM 1004 O LYS A 64 -7.790 4.663 -4.388 1.00 0.00 O ATOM 1005 CB LYS A 64 -10.504 4.004 -6.404 1.00 0.00 C ATOM 1006 CG LYS A 64 -10.982 4.244 -7.832 1.00 0.00 C ATOM 1007 CD LYS A 64 -11.921 3.140 -8.295 1.00 0.00 C ATOM 1008 CE LYS A 64 -13.134 3.024 -7.387 1.00 0.00 C ATOM 1009 NZ LYS A 64 -14.378 2.710 -8.146 1.00 0.00 N ATOM 0 H LYS A 64 -9.294 1.961 -7.135 1.00 0.00 H new ATOM 0 HA LYS A 64 -8.506 4.691 -6.763 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -10.989 3.109 -6.013 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -10.822 4.838 -5.778 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -11.492 5.206 -7.890 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -10.123 4.298 -8.501 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -12.247 3.342 -9.315 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -11.387 2.190 -8.313 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -12.957 2.245 -6.645 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -13.269 3.959 -6.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -15.189 3.176 -7.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -14.285 3.054 -9.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -14.529 1.681 -8.154 1.00 0.00 H new ATOM 1023 N GLY A 65 -9.110 2.878 -4.057 1.00 0.00 N ATOM 1024 CA GLY A 65 -8.754 2.796 -2.650 1.00 0.00 C ATOM 1025 C GLY A 65 -7.266 2.723 -2.448 1.00 0.00 C ATOM 1026 O GLY A 65 -6.751 3.163 -1.421 1.00 0.00 O ATOM 0 H GLY A 65 -9.770 2.171 -4.381 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.149 3.666 -2.125 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -9.223 1.917 -2.208 1.00 0.00 H new ATOM 1030 N ALA A 66 -6.562 2.173 -3.428 1.00 0.00 N ATOM 1031 CA ALA A 66 -5.115 2.060 -3.346 1.00 0.00 C ATOM 1032 C ALA A 66 -4.465 3.404 -3.641 1.00 0.00 C ATOM 1033 O ALA A 66 -3.827 3.996 -2.769 1.00 0.00 O ATOM 1034 CB ALA A 66 -4.597 0.990 -4.296 1.00 0.00 C ATOM 0 H ALA A 66 -6.969 1.800 -4.286 1.00 0.00 H new ATOM 0 HA ALA A 66 -4.851 1.761 -2.332 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.512 0.926 -4.215 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -5.038 0.028 -4.035 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -4.870 1.249 -5.319 1.00 0.00 H new ATOM 1040 N TYR A 67 -4.645 3.908 -4.862 1.00 0.00 N ATOM 1041 CA TYR A 67 -4.064 5.193 -5.230 1.00 0.00 C ATOM 1042 C TYR A 67 -4.408 6.237 -4.176 1.00 0.00 C ATOM 1043 O TYR A 67 -3.546 6.961 -3.700 1.00 0.00 O ATOM 1044 CB TYR A 67 -4.559 5.649 -6.607 1.00 0.00 C ATOM 1045 CG TYR A 67 -3.485 6.322 -7.445 1.00 0.00 C ATOM 1046 CD1 TYR A 67 -2.654 7.288 -6.899 1.00 0.00 C ATOM 1047 CD2 TYR A 67 -3.317 5.982 -8.779 1.00 0.00 C ATOM 1048 CE1 TYR A 67 -1.681 7.904 -7.662 1.00 0.00 C ATOM 1049 CE2 TYR A 67 -2.344 6.591 -9.550 1.00 0.00 C ATOM 1050 CZ TYR A 67 -1.531 7.551 -8.988 1.00 0.00 C ATOM 1051 OH TYR A 67 -0.564 8.157 -9.759 1.00 0.00 O ATOM 0 H TYR A 67 -5.180 3.452 -5.601 1.00 0.00 H new ATOM 0 HA TYR A 67 -2.981 5.077 -5.283 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -4.944 4.786 -7.150 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -5.391 6.340 -6.474 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -2.769 7.563 -5.861 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -3.955 5.231 -9.222 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -1.042 8.657 -7.224 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.222 6.316 -10.587 1.00 0.00 H new ATOM 0 HH TYR A 67 0.290 7.691 -9.639 1.00 0.00 H new ATOM 1061 N ARG A 68 -5.683 6.270 -3.781 1.00 0.00 N ATOM 1062 CA ARG A 68 -6.113 7.200 -2.754 1.00 0.00 C ATOM 1063 C ARG A 68 -5.218 7.061 -1.524 1.00 0.00 C ATOM 1064 O ARG A 68 -4.794 8.054 -0.924 1.00 0.00 O ATOM 1065 CB ARG A 68 -7.575 6.936 -2.382 1.00 0.00 C ATOM 1066 CG ARG A 68 -8.296 8.163 -1.844 1.00 0.00 C ATOM 1067 CD ARG A 68 -9.342 7.778 -0.810 1.00 0.00 C ATOM 1068 NE ARG A 68 -8.810 7.832 0.469 1.00 0.00 N ATOM 1069 CZ ARG A 68 -9.557 7.724 1.564 1.00 0.00 C ATOM 1070 NH1 ARG A 68 -10.871 7.563 1.466 1.00 0.00 N ATOM 1071 NH2 ARG A 68 -8.993 7.775 2.761 1.00 0.00 N ATOM 0 H ARG A 68 -6.419 5.671 -4.154 1.00 0.00 H new ATOM 0 HA ARG A 68 -6.032 8.217 -3.137 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -8.105 6.570 -3.261 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.614 6.144 -1.634 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.573 8.846 -1.397 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -8.773 8.697 -2.666 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -10.197 8.451 -0.882 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -9.709 6.772 -1.014 1.00 0.00 H new ATOM 0 HE ARG A 68 -7.804 7.960 0.575 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -11.313 7.522 0.547 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -11.439 7.481 2.309 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -7.984 7.897 2.844 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -9.568 7.692 3.600 1.00 0.00 H new ATOM 1085 N VAL A 69 -4.914 5.805 -1.178 1.00 0.00 N ATOM 1086 CA VAL A 69 -4.054 5.546 -0.056 1.00 0.00 C ATOM 1087 C VAL A 69 -2.604 5.872 -0.380 1.00 0.00 C ATOM 1088 O VAL A 69 -1.807 6.187 0.438 1.00 0.00 O ATOM 1089 CB VAL A 69 -4.179 4.086 0.359 1.00 0.00 C ATOM 1090 CG1 VAL A 69 -2.949 3.651 1.151 1.00 0.00 C ATOM 1091 CG2 VAL A 69 -5.439 3.902 1.189 1.00 0.00 C ATOM 0 H VAL A 69 -5.253 4.973 -1.661 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.365 6.190 0.767 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.245 3.464 -0.533 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.054 2.605 1.440 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.058 3.769 0.534 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -2.855 4.267 2.045 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.529 2.857 1.487 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.383 4.529 2.079 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.309 4.187 0.598 1.00 0.00 H new ATOM 1101 N ILE A 70 -2.262 5.816 -1.655 1.00 0.00 N ATOM 1102 CA ILE A 70 -0.908 6.123 -2.062 1.00 0.00 C ATOM 1103 C ILE A 70 -0.684 7.630 -2.068 1.00 0.00 C ATOM 1104 O ILE A 70 0.295 8.109 -1.685 1.00 0.00 O ATOM 1105 CB ILE A 70 -0.538 5.517 -3.440 1.00 0.00 C ATOM 1106 CG1 ILE A 70 0.875 5.179 -3.463 1.00 0.00 C ATOM 1107 CG2 ILE A 70 -0.877 6.458 -4.595 1.00 0.00 C ATOM 1108 CD1 ILE A 70 1.161 3.712 -3.285 1.00 0.00 C ATOM 0 H ILE A 70 -2.895 5.564 -2.414 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.248 5.660 -1.328 1.00 0.00 H new ATOM 0 HB ILE A 70 -1.134 4.615 -3.577 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.301 5.508 -4.411 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.383 5.735 -2.675 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -0.600 5.990 -5.539 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.947 6.665 -4.593 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.326 7.391 -4.477 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.238 3.545 -3.314 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.768 3.379 -2.324 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.684 3.148 -4.087 1.00 0.00 H new ATOM 1120 N GLU A 71 -1.708 8.359 -2.495 1.00 0.00 N ATOM 1121 CA GLU A 71 -1.642 9.804 -2.541 1.00 0.00 C ATOM 1122 C GLU A 71 -1.692 10.377 -1.132 1.00 0.00 C ATOM 1123 O GLU A 71 -1.065 11.394 -0.843 1.00 0.00 O ATOM 1124 CB GLU A 71 -2.795 10.368 -3.372 1.00 0.00 C ATOM 1125 CG GLU A 71 -4.162 9.978 -2.844 1.00 0.00 C ATOM 1126 CD GLU A 71 -5.292 10.598 -3.645 1.00 0.00 C ATOM 1127 OE1 GLU A 71 -5.643 10.039 -4.712 1.00 0.00 O ATOM 1128 OE2 GLU A 71 -5.830 11.634 -3.208 1.00 0.00 O ATOM 0 H GLU A 71 -2.594 7.966 -2.814 1.00 0.00 H new ATOM 0 HA GLU A 71 -0.700 10.090 -3.009 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -2.719 11.455 -3.396 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -2.697 10.019 -4.400 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -4.260 8.893 -2.864 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -4.247 10.287 -1.802 1.00 0.00 H new ATOM 1135 N HIS A 72 -2.429 9.711 -0.260 1.00 0.00 N ATOM 1136 CA HIS A 72 -2.541 10.168 1.045 1.00 0.00 C ATOM 1137 C HIS A 72 -1.255 9.871 1.807 1.00 0.00 C ATOM 1138 O HIS A 72 -0.713 10.753 2.469 1.00 0.00 O ATOM 1139 CB HIS A 72 -3.731 9.502 1.739 1.00 0.00 C ATOM 1140 CG HIS A 72 -3.886 9.881 3.178 1.00 0.00 C ATOM 1141 ND1 HIS A 72 -3.144 9.292 4.180 1.00 0.00 N ATOM 1142 CD2 HIS A 72 -4.688 10.784 3.785 1.00 0.00 C ATOM 1143 CE1 HIS A 72 -3.485 9.823 5.344 1.00 0.00 C ATOM 1144 NE2 HIS A 72 -4.426 10.733 5.128 1.00 0.00 N ATOM 0 H HIS A 72 -2.945 8.856 -0.467 1.00 0.00 H new ATOM 0 HA HIS A 72 -2.706 11.245 1.031 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -4.644 9.765 1.204 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -3.620 8.420 1.669 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -5.405 11.429 3.299 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -3.068 9.560 6.305 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -4.879 11.301 5.844 1.00 0.00 H new ATOM 1153 N LEU A 73 -0.776 8.643 1.706 1.00 0.00 N ATOM 1154 CA LEU A 73 0.371 8.262 2.379 1.00 0.00 C ATOM 1155 C LEU A 73 1.570 8.969 1.753 1.00 0.00 C ATOM 1156 O LEU A 73 2.568 9.236 2.418 1.00 0.00 O ATOM 1157 CB LEU A 73 0.564 6.748 2.344 1.00 0.00 C ATOM 1158 CG LEU A 73 0.019 5.997 3.559 1.00 0.00 C ATOM 1159 CD1 LEU A 73 0.614 6.570 4.836 1.00 0.00 C ATOM 1160 CD2 LEU A 73 -1.419 6.063 3.603 1.00 0.00 C ATOM 0 H LEU A 73 -1.202 7.907 1.143 1.00 0.00 H new ATOM 0 HA LEU A 73 0.277 8.550 3.426 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.082 6.356 1.448 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.629 6.535 2.252 1.00 0.00 H new ATOM 0 HG LEU A 73 0.307 4.949 3.472 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.220 6.029 5.696 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.699 6.468 4.809 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.350 7.624 4.919 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.782 5.521 4.477 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.734 7.105 3.666 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.832 5.613 2.700 1.00 0.00 H new ATOM 1172 N ILE A 74 1.462 9.274 0.458 1.00 0.00 N ATOM 1173 CA ILE A 74 2.532 9.961 -0.171 1.00 0.00 C ATOM 1174 C ILE A 74 2.836 11.301 0.427 1.00 0.00 C ATOM 1175 O ILE A 74 3.984 11.576 0.801 1.00 0.00 O ATOM 1176 CB ILE A 74 2.186 10.145 -1.669 1.00 0.00 C ATOM 1177 CG1 ILE A 74 2.897 9.087 -2.512 1.00 0.00 C ATOM 1178 CG2 ILE A 74 2.538 11.542 -2.175 1.00 0.00 C ATOM 1179 CD1 ILE A 74 2.066 8.547 -3.660 1.00 0.00 C ATOM 0 H ILE A 74 0.663 9.055 -0.137 1.00 0.00 H new ATOM 0 HA ILE A 74 3.424 9.352 -0.027 1.00 0.00 H new ATOM 0 HB ILE A 74 1.107 10.023 -1.768 1.00 0.00 H new ATOM 0 HG12 ILE A 74 3.816 9.515 -2.913 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.187 8.258 -1.866 1.00 0.00 H new ATOM 0 HG21 ILE A 74 2.277 11.623 -3.230 1.00 0.00 H new ATOM 0 HG22 ILE A 74 1.981 12.286 -1.605 1.00 0.00 H new ATOM 0 HG23 ILE A 74 3.607 11.715 -2.051 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.643 7.802 -4.208 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.159 8.087 -3.268 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.798 9.363 -4.331 1.00 0.00 H new ATOM 1191 N LYS A 75 1.785 12.123 0.602 1.00 0.00 N ATOM 1192 CA LYS A 75 1.932 13.413 1.247 1.00 0.00 C ATOM 1193 C LYS A 75 2.211 13.230 2.726 1.00 0.00 C ATOM 1194 O LYS A 75 3.180 13.776 3.255 1.00 0.00 O ATOM 1195 CB LYS A 75 0.655 14.232 1.045 1.00 0.00 C ATOM 1196 CG LYS A 75 0.013 14.042 -0.238 1.00 0.00 C ATOM 1197 CD LYS A 75 -0.219 15.381 -0.893 1.00 0.00 C ATOM 1198 CE LYS A 75 -0.205 15.268 -2.409 1.00 0.00 C ATOM 1199 NZ LYS A 75 -0.245 16.604 -3.065 1.00 0.00 N ATOM 0 H LYS A 75 0.834 11.906 0.303 1.00 0.00 H new ATOM 0 HA LYS A 75 2.773 13.945 0.801 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -0.054 13.975 1.832 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.894 15.289 1.164 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.635 13.416 -0.878 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -0.935 13.521 -0.107 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.176 15.786 -0.566 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.551 16.083 -0.572 1.00 0.00 H new ATOM 0 HE2 LYS A 75 0.692 14.735 -2.725 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -1.060 14.677 -2.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.234 16.484 -4.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -1.113 17.103 -2.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.584 17.159 -2.772 1.00 0.00 H new ATOM 1213 N ASN A 76 1.376 12.428 3.395 1.00 0.00 N ATOM 1214 CA ASN A 76 1.551 12.144 4.815 1.00 0.00 C ATOM 1215 C ASN A 76 3.005 11.806 5.095 1.00 0.00 C ATOM 1216 O ASN A 76 3.543 12.106 6.156 1.00 0.00 O ATOM 1217 CB ASN A 76 0.681 10.962 5.243 1.00 0.00 C ATOM 1218 CG ASN A 76 0.073 11.161 6.615 1.00 0.00 C ATOM 1219 OD1 ASN A 76 -0.157 12.286 7.021 1.00 0.00 O ATOM 1220 ND2 ASN A 76 -0.058 10.061 7.341 1.00 0.00 N ATOM 0 H ASN A 76 0.572 11.965 2.971 1.00 0.00 H new ATOM 0 HA ASN A 76 1.255 13.029 5.378 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -0.115 10.817 4.513 1.00 0.00 H new ATOM 0 HB3 ASN A 76 1.282 10.053 5.243 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -0.371 10.124 8.310 1.00 0.00 H new ATOM 0 HD22 ASN A 76 0.154 9.151 6.931 1.00 0.00 H new ATOM 1227 N GLU A 77 3.620 11.173 4.107 1.00 0.00 N ATOM 1228 CA GLU A 77 5.000 10.759 4.182 1.00 0.00 C ATOM 1229 C GLU A 77 5.276 9.735 3.088 1.00 0.00 C ATOM 1230 O GLU A 77 5.061 8.540 3.279 1.00 0.00 O ATOM 1231 CB GLU A 77 5.317 10.151 5.553 1.00 0.00 C ATOM 1232 CG GLU A 77 6.077 11.093 6.467 1.00 0.00 C ATOM 1233 CD GLU A 77 7.580 10.915 6.376 1.00 0.00 C ATOM 1234 OE1 GLU A 77 8.181 11.449 5.421 1.00 0.00 O ATOM 1235 OE2 GLU A 77 8.155 10.237 7.261 1.00 0.00 O ATOM 0 H GLU A 77 3.165 10.933 3.226 1.00 0.00 H new ATOM 0 HA GLU A 77 5.636 11.633 4.043 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.385 9.859 6.037 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.902 9.242 5.413 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.822 12.122 6.214 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.758 10.929 7.496 1.00 0.00 H new ATOM 1242 N ILE A 78 5.732 10.229 1.940 1.00 0.00 N ATOM 1243 CA ILE A 78 6.053 9.395 0.772 1.00 0.00 C ATOM 1244 C ILE A 78 6.789 8.102 1.123 1.00 0.00 C ATOM 1245 O ILE A 78 7.243 7.376 0.241 1.00 0.00 O ATOM 1246 CB ILE A 78 6.877 10.199 -0.172 1.00 0.00 C ATOM 1247 CG1 ILE A 78 7.208 9.333 -1.388 1.00 0.00 C ATOM 1248 CG2 ILE A 78 8.141 10.743 0.378 1.00 0.00 C ATOM 1249 CD1 ILE A 78 7.139 10.087 -2.692 1.00 0.00 C ATOM 0 H ILE A 78 5.892 11.225 1.787 1.00 0.00 H new ATOM 0 HA ILE A 78 5.108 9.093 0.321 1.00 0.00 H new ATOM 0 HB ILE A 78 6.269 11.070 -0.419 1.00 0.00 H new ATOM 0 HG12 ILE A 78 8.209 8.918 -1.269 1.00 0.00 H new ATOM 0 HG13 ILE A 78 6.516 8.491 -1.426 1.00 0.00 H new ATOM 0 HG21 ILE A 78 8.660 11.311 -0.395 1.00 0.00 H new ATOM 0 HG22 ILE A 78 7.919 11.397 1.221 1.00 0.00 H new ATOM 0 HG23 ILE A 78 8.775 9.922 0.712 1.00 0.00 H new ATOM 0 HD11 ILE A 78 7.385 9.415 -3.514 1.00 0.00 H new ATOM 0 HD12 ILE A 78 6.132 10.479 -2.833 1.00 0.00 H new ATOM 0 HD13 ILE A 78 7.851 10.912 -2.673 1.00 0.00 H new ATOM 1261 N GLU A 79 6.850 7.775 2.410 1.00 0.00 N ATOM 1262 CA GLU A 79 7.467 6.540 2.869 1.00 0.00 C ATOM 1263 C GLU A 79 7.029 5.371 1.992 1.00 0.00 C ATOM 1264 O GLU A 79 7.724 4.377 1.861 1.00 0.00 O ATOM 1265 CB GLU A 79 7.063 6.291 4.322 1.00 0.00 C ATOM 1266 CG GLU A 79 7.576 7.349 5.272 1.00 0.00 C ATOM 1267 CD GLU A 79 8.921 6.985 5.869 1.00 0.00 C ATOM 1268 OE1 GLU A 79 9.935 7.077 5.146 1.00 0.00 O ATOM 1269 OE2 GLU A 79 8.961 6.620 7.063 1.00 0.00 O ATOM 0 H GLU A 79 6.475 8.357 3.159 1.00 0.00 H new ATOM 0 HA GLU A 79 8.551 6.629 2.802 1.00 0.00 H new ATOM 0 HB2 GLU A 79 5.976 6.249 4.388 1.00 0.00 H new ATOM 0 HB3 GLU A 79 7.439 5.317 4.635 1.00 0.00 H new ATOM 0 HG2 GLU A 79 7.661 8.298 4.743 1.00 0.00 H new ATOM 0 HG3 GLU A 79 6.853 7.495 6.074 1.00 0.00 H new ATOM 1276 N ILE A 80 5.853 5.537 1.392 1.00 0.00 N ATOM 1277 CA ILE A 80 5.261 4.550 0.497 1.00 0.00 C ATOM 1278 C ILE A 80 6.311 3.850 -0.269 1.00 0.00 C ATOM 1279 O ILE A 80 6.507 2.642 -0.190 1.00 0.00 O ATOM 1280 CB ILE A 80 4.226 5.206 -0.351 1.00 0.00 C ATOM 1281 CG1 ILE A 80 3.146 5.896 0.403 1.00 0.00 C ATOM 1282 CG2 ILE A 80 3.616 4.192 -1.305 1.00 0.00 C ATOM 1283 CD1 ILE A 80 1.953 6.323 -0.330 1.00 0.00 C ATOM 0 H ILE A 80 5.279 6.371 1.516 1.00 0.00 H new ATOM 0 HA ILE A 80 4.751 3.775 1.069 1.00 0.00 H new ATOM 0 HB ILE A 80 4.753 5.989 -0.897 1.00 0.00 H new ATOM 0 HG12 ILE A 80 2.824 5.232 1.205 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.580 6.778 0.874 1.00 0.00 H new ATOM 0 HG21 ILE A 80 2.861 4.680 -1.921 1.00 0.00 H new ATOM 0 HG22 ILE A 80 4.396 3.780 -1.946 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.153 3.387 -0.734 1.00 0.00 H new ATOM 0 HD11 ILE A 80 1.259 6.809 0.356 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.239 7.024 -1.114 1.00 0.00 H new ATOM 0 HD13 ILE A 80 1.471 5.454 -0.778 1.00 0.00 H new ATOM 1295 N TRP A 81 6.993 4.614 -1.124 1.00 0.00 N ATOM 1296 CA TRP A 81 8.024 4.043 -1.993 1.00 0.00 C ATOM 1297 C TRP A 81 8.949 3.148 -1.188 1.00 0.00 C ATOM 1298 O TRP A 81 9.391 2.100 -1.668 1.00 0.00 O ATOM 1299 CB TRP A 81 8.822 5.146 -2.696 1.00 0.00 C ATOM 1300 CG TRP A 81 7.962 6.139 -3.426 1.00 0.00 C ATOM 1301 CD1 TRP A 81 8.357 7.355 -3.903 1.00 0.00 C ATOM 1302 CD2 TRP A 81 6.580 5.998 -3.768 1.00 0.00 C ATOM 1303 NE1 TRP A 81 7.299 7.985 -4.513 1.00 0.00 N ATOM 1304 CE2 TRP A 81 6.195 7.180 -4.433 1.00 0.00 C ATOM 1305 CE3 TRP A 81 5.616 5.007 -3.560 1.00 0.00 C ATOM 1306 CZ2 TRP A 81 4.898 7.384 -4.898 1.00 0.00 C ATOM 1307 CZ3 TRP A 81 4.333 5.215 -4.029 1.00 0.00 C ATOM 1308 CH2 TRP A 81 3.986 6.402 -4.688 1.00 0.00 C ATOM 0 H TRP A 81 6.853 5.618 -1.233 1.00 0.00 H new ATOM 0 HA TRP A 81 7.533 3.443 -2.759 1.00 0.00 H new ATOM 0 HB2 TRP A 81 9.425 5.674 -1.957 1.00 0.00 H new ATOM 0 HB3 TRP A 81 9.514 4.688 -3.403 1.00 0.00 H new ATOM 0 HD1 TRP A 81 9.353 7.762 -3.814 1.00 0.00 H new ATOM 0 HE1 TRP A 81 7.331 8.904 -4.954 1.00 0.00 H new ATOM 0 HE3 TRP A 81 5.870 4.094 -3.041 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 4.627 8.296 -5.410 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 3.585 4.450 -3.885 1.00 0.00 H new ATOM 0 HH2 TRP A 81 2.972 6.538 -5.036 1.00 0.00 H new ATOM 1319 N ARG A 82 9.201 3.545 -0.008 1.00 0.00 N ATOM 1320 CA ARG A 82 10.042 2.746 0.846 1.00 0.00 C ATOM 1321 C ARG A 82 9.341 1.422 1.134 1.00 0.00 C ATOM 1322 O ARG A 82 9.935 0.341 1.068 1.00 0.00 O ATOM 1323 CB ARG A 82 10.328 3.491 2.144 1.00 0.00 C ATOM 1324 CG ARG A 82 11.765 3.350 2.625 1.00 0.00 C ATOM 1325 CD ARG A 82 11.870 2.351 3.768 1.00 0.00 C ATOM 1326 NE ARG A 82 11.250 2.855 4.990 1.00 0.00 N ATOM 1327 CZ ARG A 82 11.801 3.772 5.781 1.00 0.00 C ATOM 1328 NH1 ARG A 82 12.988 4.287 5.483 1.00 0.00 N ATOM 1329 NH2 ARG A 82 11.162 4.178 6.873 1.00 0.00 N ATOM 0 H ARG A 82 8.851 4.409 0.407 1.00 0.00 H new ATOM 0 HA ARG A 82 10.992 2.551 0.349 1.00 0.00 H new ATOM 0 HB2 ARG A 82 10.103 4.548 2.003 1.00 0.00 H new ATOM 0 HB3 ARG A 82 9.657 3.123 2.920 1.00 0.00 H new ATOM 0 HG2 ARG A 82 12.398 3.027 1.798 1.00 0.00 H new ATOM 0 HG3 ARG A 82 12.138 4.321 2.952 1.00 0.00 H new ATOM 0 HD2 ARG A 82 11.392 1.415 3.478 1.00 0.00 H new ATOM 0 HD3 ARG A 82 12.919 2.127 3.959 1.00 0.00 H new ATOM 0 HE ARG A 82 10.338 2.481 5.254 1.00 0.00 H new ATOM 0 HH11 ARG A 82 13.481 3.980 4.645 1.00 0.00 H new ATOM 0 HH12 ARG A 82 13.407 4.990 6.092 1.00 0.00 H new ATOM 0 HH21 ARG A 82 10.249 3.787 7.105 1.00 0.00 H new ATOM 0 HH22 ARG A 82 11.584 4.881 7.479 1.00 0.00 H new ATOM 1343 N GLU A 83 8.043 1.512 1.417 1.00 0.00 N ATOM 1344 CA GLU A 83 7.251 0.322 1.677 1.00 0.00 C ATOM 1345 C GLU A 83 7.278 -0.500 0.458 1.00 0.00 C ATOM 1346 O GLU A 83 7.418 -1.704 0.559 1.00 0.00 O ATOM 1347 CB GLU A 83 5.814 0.703 2.080 1.00 0.00 C ATOM 1348 CG GLU A 83 4.792 0.595 0.959 1.00 0.00 C ATOM 1349 CD GLU A 83 3.567 1.469 1.196 1.00 0.00 C ATOM 1350 OE1 GLU A 83 3.579 2.259 2.152 1.00 0.00 O ATOM 1351 OE2 GLU A 83 2.597 1.355 0.415 1.00 0.00 O ATOM 0 H GLU A 83 7.526 2.389 1.471 1.00 0.00 H new ATOM 0 HA GLU A 83 7.664 -0.245 2.511 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.500 0.062 2.903 1.00 0.00 H new ATOM 0 HB3 GLU A 83 5.815 1.726 2.455 1.00 0.00 H new ATOM 0 HG2 GLU A 83 5.260 0.880 0.017 1.00 0.00 H new ATOM 0 HG3 GLU A 83 4.478 -0.444 0.857 1.00 0.00 H new ATOM 1358 N LEU A 84 7.170 0.058 -0.621 1.00 0.00 N ATOM 1359 CA LEU A 84 7.189 -0.586 -1.882 1.00 0.00 C ATOM 1360 C LEU A 84 8.504 -1.312 -2.069 1.00 0.00 C ATOM 1361 O LEU A 84 8.520 -2.444 -2.542 1.00 0.00 O ATOM 1362 CB LEU A 84 6.903 0.286 -3.035 1.00 0.00 C ATOM 1363 CG LEU A 84 5.504 0.154 -3.643 1.00 0.00 C ATOM 1364 CD1 LEU A 84 5.562 -0.637 -4.891 1.00 0.00 C ATOM 1365 CD2 LEU A 84 4.513 -0.341 -2.632 1.00 0.00 C ATOM 0 H LEU A 84 7.054 1.068 -0.698 1.00 0.00 H new ATOM 0 HA LEU A 84 6.362 -1.295 -1.863 1.00 0.00 H new ATOM 0 HB2 LEU A 84 7.048 1.322 -2.727 1.00 0.00 H new ATOM 0 HB3 LEU A 84 7.637 0.079 -3.813 1.00 0.00 H new ATOM 0 HG LEU A 84 5.135 1.138 -3.930 1.00 0.00 H new ATOM 0 HD11 LEU A 84 4.561 -0.724 -5.314 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.216 -0.140 -5.607 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.951 -1.632 -4.674 1.00 0.00 H new ATOM 0 HD21 LEU A 84 3.530 -0.423 -3.096 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.825 -1.319 -2.266 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.463 0.359 -1.798 1.00 0.00 H new ATOM 1377 N THR A 85 9.618 -0.703 -1.664 1.00 0.00 N ATOM 1378 CA THR A 85 10.897 -1.376 -1.774 1.00 0.00 C ATOM 1379 C THR A 85 10.785 -2.713 -1.048 1.00 0.00 C ATOM 1380 O THR A 85 11.479 -3.678 -1.370 1.00 0.00 O ATOM 1381 CB THR A 85 12.033 -0.521 -1.207 1.00 0.00 C ATOM 1382 OG1 THR A 85 13.266 -0.865 -1.803 1.00 0.00 O ATOM 1383 CG2 THR A 85 12.209 -0.627 0.211 1.00 0.00 C ATOM 0 H THR A 85 9.655 0.235 -1.266 1.00 0.00 H new ATOM 0 HA THR A 85 11.140 -1.543 -2.823 1.00 0.00 H new ATOM 0 HB THR A 85 11.736 0.502 -1.437 1.00 0.00 H new ATOM 0 HG1 THR A 85 13.177 -1.723 -2.267 1.00 0.00 H new ATOM 0 HG21 THR A 85 13.035 0.012 0.524 1.00 0.00 H new ATOM 0 HG22 THR A 85 11.295 -0.313 0.716 1.00 0.00 H new ATOM 0 HG23 THR A 85 12.431 -1.661 0.474 1.00 0.00 H new ATOM 1391 N ALA A 86 9.880 -2.758 -0.120 1.00 0.00 N ATOM 1392 CA ALA A 86 9.637 -3.965 0.608 1.00 0.00 C ATOM 1393 C ALA A 86 8.431 -4.730 0.029 1.00 0.00 C ATOM 1394 O ALA A 86 8.357 -5.957 0.140 1.00 0.00 O ATOM 1395 CB ALA A 86 9.395 -3.635 2.073 1.00 0.00 C ATOM 0 H ALA A 86 9.294 -1.968 0.152 1.00 0.00 H new ATOM 0 HA ALA A 86 10.514 -4.606 0.519 1.00 0.00 H new ATOM 0 HB1 ALA A 86 9.210 -4.555 2.627 1.00 0.00 H new ATOM 0 HB2 ALA A 86 10.272 -3.135 2.483 1.00 0.00 H new ATOM 0 HB3 ALA A 86 8.529 -2.979 2.160 1.00 0.00 H new ATOM 1401 N LYS A 87 7.495 -4.002 -0.510 1.00 0.00 N ATOM 1402 CA LYS A 87 6.308 -4.606 -1.104 1.00 0.00 C ATOM 1403 C LYS A 87 6.463 -4.743 -2.618 1.00 0.00 C ATOM 1404 O LYS A 87 6.739 -3.767 -3.316 1.00 0.00 O ATOM 1405 CB LYS A 87 5.038 -3.786 -0.824 1.00 0.00 C ATOM 1406 CG LYS A 87 5.104 -2.868 0.293 1.00 0.00 C ATOM 1407 CD LYS A 87 3.833 -2.925 1.124 1.00 0.00 C ATOM 1408 CE LYS A 87 2.610 -2.559 0.312 1.00 0.00 C ATOM 1409 NZ LYS A 87 2.188 -1.148 0.547 1.00 0.00 N ATOM 0 H LYS A 87 7.520 -2.983 -0.557 1.00 0.00 H new ATOM 0 HA LYS A 87 6.206 -5.589 -0.644 1.00 0.00 H new ATOM 0 HB2 LYS A 87 4.793 -3.217 -1.721 1.00 0.00 H new ATOM 0 HB3 LYS A 87 4.214 -4.478 -0.650 1.00 0.00 H new ATOM 0 HG2 LYS A 87 5.962 -3.113 0.919 1.00 0.00 H new ATOM 0 HG3 LYS A 87 5.257 -1.853 -0.075 1.00 0.00 H new ATOM 0 HD2 LYS A 87 3.711 -3.928 1.532 1.00 0.00 H new ATOM 0 HD3 LYS A 87 3.923 -2.245 1.971 1.00 0.00 H new ATOM 0 HE2 LYS A 87 2.821 -2.703 -0.748 1.00 0.00 H new ATOM 0 HE3 LYS A 87 1.790 -3.230 0.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 1.169 -1.054 0.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 2.383 -0.887 1.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 2.717 -0.517 -0.088 1.00 0.00 H new ATOM 1423 N TYR A 88 6.265 -5.955 -3.110 1.00 0.00 N ATOM 1424 CA TYR A 88 6.352 -6.247 -4.544 1.00 0.00 C ATOM 1425 C TYR A 88 7.548 -5.544 -5.192 1.00 0.00 C ATOM 1426 O TYR A 88 7.519 -5.226 -6.387 1.00 0.00 O ATOM 1427 CB TYR A 88 5.059 -5.853 -5.269 1.00 0.00 C ATOM 1428 CG TYR A 88 4.230 -4.808 -4.554 1.00 0.00 C ATOM 1429 CD1 TYR A 88 3.586 -5.101 -3.358 1.00 0.00 C ATOM 1430 CD2 TYR A 88 4.092 -3.531 -5.077 1.00 0.00 C ATOM 1431 CE1 TYR A 88 2.825 -4.151 -2.704 1.00 0.00 C ATOM 1432 CE2 TYR A 88 3.334 -2.570 -4.425 1.00 0.00 C ATOM 1433 CZ TYR A 88 2.706 -2.882 -3.237 1.00 0.00 C ATOM 1434 OH TYR A 88 1.960 -1.935 -2.589 1.00 0.00 O ATOM 0 H TYR A 88 6.040 -6.766 -2.534 1.00 0.00 H new ATOM 0 HA TYR A 88 6.495 -7.323 -4.641 1.00 0.00 H new ATOM 0 HB2 TYR A 88 5.313 -5.480 -6.261 1.00 0.00 H new ATOM 0 HB3 TYR A 88 4.451 -6.746 -5.411 1.00 0.00 H new ATOM 0 HD1 TYR A 88 3.682 -6.089 -2.932 1.00 0.00 H new ATOM 0 HD2 TYR A 88 4.582 -3.281 -6.006 1.00 0.00 H new ATOM 0 HE1 TYR A 88 2.325 -4.400 -1.780 1.00 0.00 H new ATOM 0 HE2 TYR A 88 3.236 -1.580 -4.846 1.00 0.00 H new ATOM 0 HH TYR A 88 1.235 -2.371 -2.095 1.00 0.00 H new ATOM 1444 N ASP A 89 8.603 -5.306 -4.419 1.00 0.00 N ATOM 1445 CA ASP A 89 9.797 -4.650 -4.929 1.00 0.00 C ATOM 1446 C ASP A 89 10.249 -5.260 -6.262 1.00 0.00 C ATOM 1447 O ASP A 89 10.394 -4.550 -7.258 1.00 0.00 O ATOM 1448 CB ASP A 89 10.938 -4.747 -3.912 1.00 0.00 C ATOM 1449 CG ASP A 89 11.915 -3.590 -4.020 1.00 0.00 C ATOM 1450 OD1 ASP A 89 11.603 -2.618 -4.741 1.00 0.00 O ATOM 1451 OD2 ASP A 89 12.981 -3.652 -3.381 1.00 0.00 O ATOM 0 H ASP A 89 8.653 -5.560 -3.432 1.00 0.00 H new ATOM 0 HA ASP A 89 9.546 -3.603 -5.096 1.00 0.00 H new ATOM 0 HB2 ASP A 89 10.521 -4.773 -2.905 1.00 0.00 H new ATOM 0 HB3 ASP A 89 11.473 -5.685 -4.060 1.00 0.00 H new ATOM 1456 N PRO A 90 10.480 -6.589 -6.304 1.00 0.00 N ATOM 1457 CA PRO A 90 10.918 -7.275 -7.516 1.00 0.00 C ATOM 1458 C PRO A 90 10.025 -6.949 -8.714 1.00 0.00 C ATOM 1459 O PRO A 90 10.475 -6.934 -9.852 1.00 0.00 O ATOM 1460 CB PRO A 90 10.828 -8.765 -7.167 1.00 0.00 C ATOM 1461 CG PRO A 90 10.093 -8.837 -5.869 1.00 0.00 C ATOM 1462 CD PRO A 90 10.338 -7.529 -5.180 1.00 0.00 C ATOM 0 HA PRO A 90 11.922 -6.967 -7.808 1.00 0.00 H new ATOM 0 HB2 PRO A 90 10.302 -9.317 -7.945 1.00 0.00 H new ATOM 0 HB3 PRO A 90 11.821 -9.206 -7.079 1.00 0.00 H new ATOM 0 HG2 PRO A 90 9.027 -8.998 -6.033 1.00 0.00 H new ATOM 0 HG3 PRO A 90 10.452 -9.670 -5.264 1.00 0.00 H new ATOM 0 HD2 PRO A 90 9.510 -7.255 -4.526 1.00 0.00 H new ATOM 0 HD3 PRO A 90 11.236 -7.559 -4.562 1.00 0.00 H new ATOM 1470 N THR A 91 8.754 -6.685 -8.431 1.00 0.00 N ATOM 1471 CA THR A 91 7.799 -6.351 -9.485 1.00 0.00 C ATOM 1472 C THR A 91 8.218 -5.077 -10.208 1.00 0.00 C ATOM 1473 O THR A 91 8.613 -5.111 -11.372 1.00 0.00 O ATOM 1474 CB THR A 91 6.393 -6.183 -8.902 1.00 0.00 C ATOM 1475 OG1 THR A 91 6.254 -6.936 -7.709 1.00 0.00 O ATOM 1476 CG2 THR A 91 5.303 -6.619 -9.851 1.00 0.00 C ATOM 0 H THR A 91 8.362 -6.695 -7.489 1.00 0.00 H new ATOM 0 HA THR A 91 7.787 -7.171 -10.203 1.00 0.00 H new ATOM 0 HB THR A 91 6.280 -5.116 -8.709 1.00 0.00 H new ATOM 0 HG1 THR A 91 5.321 -7.218 -7.607 1.00 0.00 H new ATOM 0 HG21 THR A 91 4.331 -6.475 -9.379 1.00 0.00 H new ATOM 0 HG22 THR A 91 5.355 -6.024 -10.763 1.00 0.00 H new ATOM 0 HG23 THR A 91 5.435 -7.673 -10.097 1.00 0.00 H new ATOM 1484 N GLY A 92 8.142 -3.952 -9.505 1.00 0.00 N ATOM 1485 CA GLY A 92 8.521 -2.675 -10.086 1.00 0.00 C ATOM 1486 C GLY A 92 7.802 -2.396 -11.399 1.00 0.00 C ATOM 1487 O GLY A 92 8.430 -2.364 -12.461 1.00 0.00 O ATOM 0 H GLY A 92 7.823 -3.901 -8.538 1.00 0.00 H new ATOM 0 HA2 GLY A 92 8.300 -1.877 -9.377 1.00 0.00 H new ATOM 0 HA3 GLY A 92 9.598 -2.661 -10.255 1.00 0.00 H new ATOM 1491 N ASN A 93 6.495 -2.192 -11.322 1.00 0.00 N ATOM 1492 CA ASN A 93 5.705 -1.914 -12.513 1.00 0.00 C ATOM 1493 C ASN A 93 4.527 -0.993 -12.188 1.00 0.00 C ATOM 1494 O ASN A 93 4.216 -0.077 -12.938 1.00 0.00 O ATOM 1495 CB ASN A 93 5.191 -3.213 -13.129 1.00 0.00 C ATOM 1496 CG ASN A 93 5.218 -3.193 -14.650 1.00 0.00 C ATOM 1497 OD1 ASN A 93 6.200 -3.623 -15.262 1.00 0.00 O ATOM 1498 ND2 ASN A 93 4.159 -2.686 -15.256 1.00 0.00 N ATOM 0 H ASN A 93 5.961 -2.213 -10.453 1.00 0.00 H new ATOM 0 HA ASN A 93 6.351 -1.410 -13.232 1.00 0.00 H new ATOM 0 HB2 ASN A 93 5.797 -4.045 -12.770 1.00 0.00 H new ATOM 0 HB3 ASN A 93 4.171 -3.392 -12.790 1.00 0.00 H new ATOM 0 HD21 ASN A 93 4.129 -2.637 -16.274 1.00 0.00 H new ATOM 0 HD22 ASN A 93 3.372 -2.343 -14.705 1.00 0.00 H new ATOM 1505 N TRP A 94 3.866 -1.256 -11.057 1.00 0.00 N ATOM 1506 CA TRP A 94 2.728 -0.446 -10.635 1.00 0.00 C ATOM 1507 C TRP A 94 3.202 0.732 -9.923 1.00 0.00 C ATOM 1508 O TRP A 94 2.607 1.805 -10.064 1.00 0.00 O ATOM 1509 CB TRP A 94 1.794 -1.247 -9.706 1.00 0.00 C ATOM 1510 CG TRP A 94 2.011 -2.738 -9.760 1.00 0.00 C ATOM 1511 CD1 TRP A 94 2.862 -3.465 -8.977 1.00 0.00 C ATOM 1512 CD2 TRP A 94 1.361 -3.667 -10.626 1.00 0.00 C ATOM 1513 NE1 TRP A 94 2.780 -4.790 -9.303 1.00 0.00 N ATOM 1514 CE2 TRP A 94 1.866 -4.947 -10.312 1.00 0.00 C ATOM 1515 CE3 TRP A 94 0.401 -3.556 -11.636 1.00 0.00 C ATOM 1516 CZ2 TRP A 94 1.447 -6.096 -10.979 1.00 0.00 C ATOM 1517 CZ3 TRP A 94 0.004 -4.695 -12.297 1.00 0.00 C ATOM 1518 CH2 TRP A 94 0.510 -5.956 -11.961 1.00 0.00 C ATOM 0 H TRP A 94 4.100 -2.020 -10.423 1.00 0.00 H new ATOM 0 HA TRP A 94 2.173 -0.151 -11.526 1.00 0.00 H new ATOM 0 HB2 TRP A 94 1.937 -0.906 -8.681 1.00 0.00 H new ATOM 0 HB3 TRP A 94 0.759 -1.030 -9.972 1.00 0.00 H new ATOM 0 HD1 TRP A 94 3.505 -3.054 -8.213 1.00 0.00 H new ATOM 0 HE1 TRP A 94 3.313 -5.541 -8.865 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -0.021 -2.595 -11.892 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 1.850 -7.066 -10.727 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -0.717 -4.614 -13.097 1.00 0.00 H new ATOM 0 HH2 TRP A 94 0.154 -6.830 -12.486 1.00 0.00 H new ATOM 1529 N ARG A 95 4.276 0.593 -9.146 1.00 0.00 N ATOM 1530 CA ARG A 95 4.839 1.716 -8.406 1.00 0.00 C ATOM 1531 C ARG A 95 5.068 2.919 -9.312 1.00 0.00 C ATOM 1532 O ARG A 95 5.069 4.056 -8.855 1.00 0.00 O ATOM 1533 CB ARG A 95 6.149 1.306 -7.738 1.00 0.00 C ATOM 1534 CG ARG A 95 7.239 0.916 -8.724 1.00 0.00 C ATOM 1535 CD ARG A 95 8.217 2.054 -8.952 1.00 0.00 C ATOM 1536 NE ARG A 95 9.202 2.150 -7.877 1.00 0.00 N ATOM 1537 CZ ARG A 95 10.287 2.914 -7.929 1.00 0.00 C ATOM 1538 NH1 ARG A 95 10.542 3.652 -9.008 1.00 0.00 N ATOM 1539 NH2 ARG A 95 11.130 2.944 -6.909 1.00 0.00 N ATOM 0 H ARG A 95 4.772 -0.288 -9.014 1.00 0.00 H new ATOM 0 HA ARG A 95 4.120 2.004 -7.638 1.00 0.00 H new ATOM 0 HB2 ARG A 95 6.506 2.131 -7.122 1.00 0.00 H new ATOM 0 HB3 ARG A 95 5.959 0.467 -7.069 1.00 0.00 H new ATOM 0 HG2 ARG A 95 7.775 0.044 -8.349 1.00 0.00 H new ATOM 0 HG3 ARG A 95 6.786 0.628 -9.673 1.00 0.00 H new ATOM 0 HD2 ARG A 95 8.730 1.907 -9.902 1.00 0.00 H new ATOM 0 HD3 ARG A 95 7.669 2.993 -9.028 1.00 0.00 H new ATOM 0 HE ARG A 95 9.047 1.596 -7.035 1.00 0.00 H new ATOM 0 HH11 ARG A 95 9.902 3.633 -9.802 1.00 0.00 H new ATOM 0 HH12 ARG A 95 11.377 4.236 -9.040 1.00 0.00 H new ATOM 0 HH21 ARG A 95 10.947 2.379 -6.080 1.00 0.00 H new ATOM 0 HH22 ARG A 95 11.962 3.532 -6.952 1.00 0.00 H new ATOM 1553 N LYS A 96 5.272 2.660 -10.606 1.00 0.00 N ATOM 1554 CA LYS A 96 5.501 3.734 -11.559 1.00 0.00 C ATOM 1555 C LYS A 96 4.307 4.677 -11.612 1.00 0.00 C ATOM 1556 O LYS A 96 4.458 5.892 -11.666 1.00 0.00 O ATOM 1557 CB LYS A 96 5.781 3.163 -12.950 1.00 0.00 C ATOM 1558 CG LYS A 96 6.744 4.005 -13.768 1.00 0.00 C ATOM 1559 CD LYS A 96 6.959 3.414 -15.157 1.00 0.00 C ATOM 1560 CE LYS A 96 6.193 4.195 -16.213 1.00 0.00 C ATOM 1561 NZ LYS A 96 4.916 3.528 -16.580 1.00 0.00 N ATOM 0 H LYS A 96 5.282 1.723 -11.009 1.00 0.00 H new ATOM 0 HA LYS A 96 6.372 4.299 -11.227 1.00 0.00 H new ATOM 0 HB2 LYS A 96 6.188 2.157 -12.846 1.00 0.00 H new ATOM 0 HB3 LYS A 96 4.840 3.071 -13.493 1.00 0.00 H new ATOM 0 HG2 LYS A 96 6.356 5.019 -13.859 1.00 0.00 H new ATOM 0 HG3 LYS A 96 7.700 4.075 -13.249 1.00 0.00 H new ATOM 0 HD2 LYS A 96 8.022 3.420 -15.397 1.00 0.00 H new ATOM 0 HD3 LYS A 96 6.636 2.373 -15.166 1.00 0.00 H new ATOM 0 HE2 LYS A 96 5.985 5.199 -15.842 1.00 0.00 H new ATOM 0 HE3 LYS A 96 6.813 4.306 -17.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 4.425 4.092 -17.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 5.116 2.580 -16.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 4.313 3.444 -15.737 1.00 0.00 H new ATOM 1575 N LYS A 97 3.105 4.102 -11.580 1.00 0.00 N ATOM 1576 CA LYS A 97 1.884 4.887 -11.609 1.00 0.00 C ATOM 1577 C LYS A 97 1.803 5.746 -10.346 1.00 0.00 C ATOM 1578 O LYS A 97 1.604 6.958 -10.421 1.00 0.00 O ATOM 1579 CB LYS A 97 0.665 3.976 -11.718 1.00 0.00 C ATOM 1580 CG LYS A 97 -0.535 4.568 -11.144 1.00 0.00 C ATOM 1581 CD LYS A 97 -1.759 3.794 -11.600 1.00 0.00 C ATOM 1582 CE LYS A 97 -2.148 2.733 -10.587 1.00 0.00 C ATOM 1583 NZ LYS A 97 -2.808 1.561 -11.240 1.00 0.00 N ATOM 0 H LYS A 97 2.957 3.094 -11.534 1.00 0.00 H new ATOM 0 HA LYS A 97 1.896 5.538 -12.483 1.00 0.00 H new ATOM 0 HB2 LYS A 97 0.484 3.743 -12.767 1.00 0.00 H new ATOM 0 HB3 LYS A 97 0.876 3.033 -11.214 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.472 4.558 -10.056 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -0.619 5.611 -11.449 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -2.592 4.481 -11.749 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -1.557 3.324 -12.563 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -1.260 2.399 -10.051 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -2.822 3.165 -9.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -3.105 0.880 -10.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -3.641 1.884 -11.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -2.138 1.103 -11.890 1.00 0.00 H new ATOM 1597 N TYR A 98 1.964 5.098 -9.203 1.00 0.00 N ATOM 1598 CA TYR A 98 1.920 5.787 -7.929 1.00 0.00 C ATOM 1599 C TYR A 98 3.096 6.752 -7.787 1.00 0.00 C ATOM 1600 O TYR A 98 3.016 7.748 -7.074 1.00 0.00 O ATOM 1601 CB TYR A 98 1.929 4.775 -6.791 1.00 0.00 C ATOM 1602 CG TYR A 98 0.652 3.968 -6.639 1.00 0.00 C ATOM 1603 CD1 TYR A 98 -0.474 4.424 -7.140 1.00 0.00 C ATOM 1604 CD2 TYR A 98 0.671 2.749 -5.975 1.00 0.00 C ATOM 1605 CE1 TYR A 98 -1.633 3.690 -6.988 1.00 0.00 C ATOM 1606 CE2 TYR A 98 -0.407 2.010 -5.812 1.00 0.00 C ATOM 1607 CZ TYR A 98 -1.592 2.479 -6.322 1.00 0.00 C ATOM 1608 OH TYR A 98 -2.741 1.753 -6.162 1.00 0.00 O ATOM 0 H TYR A 98 2.127 4.093 -9.135 1.00 0.00 H new ATOM 0 HA TYR A 98 0.999 6.368 -7.884 1.00 0.00 H new ATOM 0 HB2 TYR A 98 2.760 4.086 -6.944 1.00 0.00 H new ATOM 0 HB3 TYR A 98 2.120 5.303 -5.857 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -0.492 5.367 -7.667 1.00 0.00 H new ATOM 0 HD2 TYR A 98 1.609 2.392 -5.575 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -2.566 4.059 -7.387 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -0.360 1.064 -5.293 1.00 0.00 H new ATOM 0 HH TYR A 98 -3.478 2.200 -6.628 1.00 0.00 H new ATOM 1618 N GLU A 99 4.198 6.430 -8.468 1.00 0.00 N ATOM 1619 CA GLU A 99 5.390 7.264 -8.424 1.00 0.00 C ATOM 1620 C GLU A 99 5.264 8.441 -9.382 1.00 0.00 C ATOM 1621 O GLU A 99 5.805 9.519 -9.142 1.00 0.00 O ATOM 1622 CB GLU A 99 6.624 6.425 -8.756 1.00 0.00 C ATOM 1623 CG GLU A 99 7.864 7.249 -9.058 1.00 0.00 C ATOM 1624 CD GLU A 99 9.108 6.686 -8.403 1.00 0.00 C ATOM 1625 OE1 GLU A 99 9.114 6.511 -7.166 1.00 0.00 O ATOM 1626 OE2 GLU A 99 10.095 6.423 -9.128 1.00 0.00 O ATOM 0 H GLU A 99 4.285 5.599 -9.053 1.00 0.00 H new ATOM 0 HA GLU A 99 5.499 7.665 -7.416 1.00 0.00 H new ATOM 0 HB2 GLU A 99 6.836 5.761 -7.918 1.00 0.00 H new ATOM 0 HB3 GLU A 99 6.401 5.793 -9.616 1.00 0.00 H new ATOM 0 HG2 GLU A 99 8.013 7.293 -10.137 1.00 0.00 H new ATOM 0 HG3 GLU A 99 7.709 8.272 -8.716 1.00 0.00 H new ATOM 1633 N ASP A 100 4.536 8.231 -10.480 1.00 0.00 N ATOM 1634 CA ASP A 100 4.337 9.271 -11.479 1.00 0.00 C ATOM 1635 C ASP A 100 3.678 10.494 -10.850 1.00 0.00 C ATOM 1636 O ASP A 100 4.118 11.629 -11.053 1.00 0.00 O ATOM 1637 CB ASP A 100 3.486 8.749 -12.629 1.00 0.00 C ATOM 1638 CG ASP A 100 3.253 9.796 -13.699 1.00 0.00 C ATOM 1639 OD1 ASP A 100 4.244 10.357 -14.210 1.00 0.00 O ATOM 1640 OD2 ASP A 100 2.077 10.055 -14.033 1.00 0.00 O ATOM 0 H ASP A 100 4.075 7.347 -10.696 1.00 0.00 H new ATOM 0 HA ASP A 100 5.312 9.562 -11.871 1.00 0.00 H new ATOM 0 HB2 ASP A 100 3.974 7.882 -13.074 1.00 0.00 H new ATOM 0 HB3 ASP A 100 2.525 8.410 -12.241 1.00 0.00 H new ATOM 1645 N ARG A 101 2.618 10.263 -10.079 1.00 0.00 N ATOM 1646 CA ARG A 101 1.904 11.342 -9.418 1.00 0.00 C ATOM 1647 C ARG A 101 2.846 12.157 -8.546 1.00 0.00 C ATOM 1648 O ARG A 101 2.824 13.395 -8.577 1.00 0.00 O ATOM 1649 CB ARG A 101 0.766 10.779 -8.563 1.00 0.00 C ATOM 1650 CG ARG A 101 -0.439 11.562 -8.714 1.00 0.00 C ATOM 1651 CD ARG A 101 -1.182 11.667 -7.395 1.00 0.00 C ATOM 1652 NE ARG A 101 -2.207 12.710 -7.423 1.00 0.00 N ATOM 1653 CZ ARG A 101 -1.942 14.007 -7.282 1.00 0.00 C ATOM 1654 NH1 ARG A 101 -0.690 14.431 -7.111 1.00 0.00 N ATOM 1655 NH2 ARG A 101 -2.932 14.890 -7.323 1.00 0.00 N ATOM 0 H ARG A 101 2.237 9.334 -9.899 1.00 0.00 H new ATOM 0 HA ARG A 101 1.487 11.994 -10.186 1.00 0.00 H new ATOM 0 HB2 ARG A 101 0.570 9.746 -8.849 1.00 0.00 H new ATOM 0 HB3 ARG A 101 1.066 10.768 -7.515 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -0.187 12.559 -9.075 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -1.084 11.105 -9.464 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -1.647 10.709 -7.164 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -0.472 11.878 -6.595 1.00 0.00 H new ATOM 0 HE ARG A 101 -3.178 12.428 -7.558 1.00 0.00 H new ATOM 0 HH11 ARG A 101 0.077 13.759 -7.087 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -0.499 15.427 -7.004 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -3.892 14.574 -7.462 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -2.733 15.885 -7.215 1.00 0.00 H new ATOM 1669 N ALA A 102 3.671 11.466 -7.770 1.00 0.00 N ATOM 1670 CA ALA A 102 4.623 12.123 -6.890 1.00 0.00 C ATOM 1671 C ALA A 102 5.525 13.076 -7.673 1.00 0.00 C ATOM 1672 O ALA A 102 6.168 13.955 -7.098 1.00 0.00 O ATOM 1673 CB ALA A 102 5.460 11.088 -6.161 1.00 0.00 C ATOM 0 H ALA A 102 3.698 10.447 -7.734 1.00 0.00 H new ATOM 0 HA ALA A 102 4.065 12.708 -6.159 1.00 0.00 H new ATOM 0 HB1 ALA A 102 6.170 11.591 -5.504 1.00 0.00 H new ATOM 0 HB2 ALA A 102 4.809 10.446 -5.568 1.00 0.00 H new ATOM 0 HB3 ALA A 102 6.003 10.483 -6.887 1.00 0.00 H new ATOM 1679 N LYS A 103 5.566 12.898 -8.992 1.00 0.00 N ATOM 1680 CA LYS A 103 6.383 13.755 -9.847 1.00 0.00 C ATOM 1681 C LYS A 103 5.618 15.025 -10.203 1.00 0.00 C ATOM 1682 O LYS A 103 6.199 16.097 -10.321 1.00 0.00 O ATOM 1683 CB LYS A 103 6.800 13.004 -11.116 1.00 0.00 C ATOM 1684 CG LYS A 103 8.064 13.561 -11.756 1.00 0.00 C ATOM 1685 CD LYS A 103 8.852 12.468 -12.453 1.00 0.00 C ATOM 1686 CE LYS A 103 10.351 12.706 -12.340 1.00 0.00 C ATOM 1687 NZ LYS A 103 10.861 13.556 -13.450 1.00 0.00 N ATOM 0 H LYS A 103 5.047 12.174 -9.489 1.00 0.00 H new ATOM 0 HA LYS A 103 7.285 14.034 -9.303 1.00 0.00 H new ATOM 0 HB2 LYS A 103 6.957 11.953 -10.873 1.00 0.00 H new ATOM 0 HB3 LYS A 103 5.986 13.046 -11.839 1.00 0.00 H new ATOM 0 HG2 LYS A 103 7.800 14.337 -12.474 1.00 0.00 H new ATOM 0 HG3 LYS A 103 8.685 14.031 -10.993 1.00 0.00 H new ATOM 0 HD2 LYS A 103 8.602 11.501 -12.016 1.00 0.00 H new ATOM 0 HD3 LYS A 103 8.567 12.426 -13.504 1.00 0.00 H new ATOM 0 HE2 LYS A 103 10.572 13.183 -11.385 1.00 0.00 H new ATOM 0 HE3 LYS A 103 10.872 11.749 -12.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 11.886 13.695 -13.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 10.673 13.089 -14.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 10.382 14.479 -13.429 1.00 0.00 H new ATOM 1701 N ALA A 104 4.307 14.879 -10.370 1.00 0.00 N ATOM 1702 CA ALA A 104 3.458 16.011 -10.707 1.00 0.00 C ATOM 1703 C ALA A 104 3.251 16.899 -9.486 1.00 0.00 C ATOM 1704 O ALA A 104 3.094 18.113 -9.609 1.00 0.00 O ATOM 1705 CB ALA A 104 2.119 15.522 -11.241 1.00 0.00 C ATOM 0 H ALA A 104 3.814 13.991 -10.277 1.00 0.00 H new ATOM 0 HA ALA A 104 3.949 16.599 -11.483 1.00 0.00 H new ATOM 0 HB1 ALA A 104 1.492 16.378 -11.490 1.00 0.00 H new ATOM 0 HB2 ALA A 104 2.282 14.919 -12.135 1.00 0.00 H new ATOM 0 HB3 ALA A 104 1.623 14.918 -10.481 1.00 0.00 H new ATOM 1711 N ALA A 105 3.251 16.284 -8.304 1.00 0.00 N ATOM 1712 CA ALA A 105 3.065 17.013 -7.067 1.00 0.00 C ATOM 1713 C ALA A 105 4.403 17.484 -6.493 1.00 0.00 C ATOM 1714 O ALA A 105 4.514 18.606 -6.003 1.00 0.00 O ATOM 1715 CB ALA A 105 2.333 16.159 -6.051 1.00 0.00 C ATOM 0 H ALA A 105 3.379 15.279 -8.185 1.00 0.00 H new ATOM 0 HA ALA A 105 2.462 17.894 -7.289 1.00 0.00 H new ATOM 0 HB1 ALA A 105 2.202 16.724 -5.128 1.00 0.00 H new ATOM 0 HB2 ALA A 105 1.357 15.879 -6.447 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.913 15.259 -5.847 1.00 0.00 H new ATOM 1721 N GLY A 106 5.406 16.613 -6.561 1.00 0.00 N ATOM 1722 CA GLY A 106 6.712 16.957 -6.036 1.00 0.00 C ATOM 1723 C GLY A 106 7.134 16.010 -4.926 1.00 0.00 C ATOM 1724 O GLY A 106 8.314 15.690 -4.783 1.00 0.00 O ATOM 0 H GLY A 106 5.337 15.680 -6.968 1.00 0.00 H new ATOM 0 HA2 GLY A 106 7.448 16.927 -6.840 1.00 0.00 H new ATOM 0 HA3 GLY A 106 6.695 17.979 -5.657 1.00 0.00 H new ATOM 1728 N ILE A 107 6.156 15.568 -4.150 1.00 0.00 N ATOM 1729 CA ILE A 107 6.405 14.652 -3.045 1.00 0.00 C ATOM 1730 C ILE A 107 7.076 13.378 -3.534 1.00 0.00 C ATOM 1731 O ILE A 107 6.425 12.483 -4.069 1.00 0.00 O ATOM 1732 CB ILE A 107 5.078 14.282 -2.330 1.00 0.00 C ATOM 1733 CG1 ILE A 107 5.311 13.193 -1.287 1.00 0.00 C ATOM 1734 CG2 ILE A 107 4.030 13.835 -3.337 1.00 0.00 C ATOM 1735 CD1 ILE A 107 6.213 13.624 -0.166 1.00 0.00 C ATOM 0 H ILE A 107 5.177 15.830 -4.265 1.00 0.00 H new ATOM 0 HA ILE A 107 7.067 15.159 -2.343 1.00 0.00 H new ATOM 0 HB ILE A 107 4.709 15.173 -1.821 1.00 0.00 H new ATOM 0 HG12 ILE A 107 4.351 12.885 -0.873 1.00 0.00 H new ATOM 0 HG13 ILE A 107 5.742 12.319 -1.775 1.00 0.00 H new ATOM 0 HG21 ILE A 107 3.108 13.581 -2.814 1.00 0.00 H new ATOM 0 HG22 ILE A 107 3.836 14.643 -4.043 1.00 0.00 H new ATOM 0 HG23 ILE A 107 4.394 12.961 -3.877 1.00 0.00 H new ATOM 0 HD11 ILE A 107 6.335 12.802 0.539 1.00 0.00 H new ATOM 0 HD12 ILE A 107 7.186 13.904 -0.569 1.00 0.00 H new ATOM 0 HD13 ILE A 107 5.773 14.479 0.347 1.00 0.00 H new ATOM 1747 N VAL A 108 8.386 13.299 -3.342 1.00 0.00 N ATOM 1748 CA VAL A 108 9.139 12.131 -3.750 1.00 0.00 C ATOM 1749 C VAL A 108 9.924 11.552 -2.576 1.00 0.00 C ATOM 1750 O VAL A 108 10.161 12.237 -1.589 1.00 0.00 O ATOM 1751 CB VAL A 108 10.114 12.437 -4.906 1.00 0.00 C ATOM 1752 CG1 VAL A 108 10.612 11.136 -5.534 1.00 0.00 C ATOM 1753 CG2 VAL A 108 9.443 13.317 -5.953 1.00 0.00 C ATOM 0 H VAL A 108 8.945 14.032 -2.906 1.00 0.00 H new ATOM 0 HA VAL A 108 8.409 11.402 -4.102 1.00 0.00 H new ATOM 0 HB VAL A 108 10.971 12.979 -4.505 1.00 0.00 H new ATOM 0 HG11 VAL A 108 11.299 11.365 -6.349 1.00 0.00 H new ATOM 0 HG12 VAL A 108 11.128 10.542 -4.780 1.00 0.00 H new ATOM 0 HG13 VAL A 108 9.764 10.572 -5.922 1.00 0.00 H new ATOM 0 HG21 VAL A 108 10.146 13.522 -6.760 1.00 0.00 H new ATOM 0 HG22 VAL A 108 8.569 12.803 -6.354 1.00 0.00 H new ATOM 0 HG23 VAL A 108 9.133 14.256 -5.494 1.00 0.00 H new ATOM 1763 N ILE A 109 10.312 10.283 -2.697 1.00 0.00 N ATOM 1764 CA ILE A 109 11.064 9.608 -1.641 1.00 0.00 C ATOM 1765 C ILE A 109 12.164 10.502 -1.061 1.00 0.00 C ATOM 1766 O ILE A 109 12.913 11.129 -1.807 1.00 0.00 O ATOM 1767 CB ILE A 109 11.686 8.290 -2.144 1.00 0.00 C ATOM 1768 CG1 ILE A 109 12.063 7.392 -0.966 1.00 0.00 C ATOM 1769 CG2 ILE A 109 12.902 8.563 -3.024 1.00 0.00 C ATOM 1770 CD1 ILE A 109 10.867 6.857 -0.226 1.00 0.00 C ATOM 0 H ILE A 109 10.118 9.703 -3.514 1.00 0.00 H new ATOM 0 HA ILE A 109 10.348 9.383 -0.851 1.00 0.00 H new ATOM 0 HB ILE A 109 10.942 7.771 -2.749 1.00 0.00 H new ATOM 0 HG12 ILE A 109 12.661 6.557 -1.330 1.00 0.00 H new ATOM 0 HG13 ILE A 109 12.689 7.955 -0.274 1.00 0.00 H new ATOM 0 HG21 ILE A 109 13.323 7.618 -3.366 1.00 0.00 H new ATOM 0 HG22 ILE A 109 12.601 9.159 -3.885 1.00 0.00 H new ATOM 0 HG23 ILE A 109 13.652 9.107 -2.450 1.00 0.00 H new ATOM 0 HD11 ILE A 109 11.201 6.227 0.598 1.00 0.00 H new ATOM 0 HD12 ILE A 109 10.281 7.688 0.167 1.00 0.00 H new ATOM 0 HD13 ILE A 109 10.252 6.268 -0.906 1.00 0.00 H new ATOM 1782 N PRO A 110 12.268 10.582 0.206 1.00 0.00 N ATOM 1783 CA PRO A 110 13.274 11.408 0.853 1.00 0.00 C ATOM 1784 C PRO A 110 14.626 10.717 0.917 1.00 0.00 C ATOM 1785 O PRO A 110 15.211 10.550 1.995 1.00 0.00 O ATOM 1786 CB PRO A 110 12.697 11.606 2.253 1.00 0.00 C ATOM 1787 CG PRO A 110 11.887 10.377 2.510 1.00 0.00 C ATOM 1788 CD PRO A 110 11.416 9.871 1.169 1.00 0.00 C ATOM 0 HA PRO A 110 13.462 12.339 0.318 1.00 0.00 H new ATOM 0 HB2 PRO A 110 13.488 11.720 2.994 1.00 0.00 H new ATOM 0 HB3 PRO A 110 12.081 12.504 2.303 1.00 0.00 H new ATOM 0 HG2 PRO A 110 12.484 9.621 3.019 1.00 0.00 H new ATOM 0 HG3 PRO A 110 11.039 10.602 3.157 1.00 0.00 H new ATOM 0 HD2 PRO A 110 11.534 8.791 1.085 1.00 0.00 H new ATOM 0 HD3 PRO A 110 10.361 10.090 1.007 1.00 0.00 H new ATOM 1796 N GLU A 111 15.137 10.314 -0.177 1.00 0.00 N ATOM 1797 CA GLU A 111 16.425 9.641 -0.256 1.00 0.00 C ATOM 1798 C GLU A 111 17.572 10.649 -0.229 1.00 0.00 C ATOM 1799 O GLU A 111 18.368 10.726 -1.160 1.00 0.00 O ATOM 1800 CB GLU A 111 16.485 8.804 -1.523 1.00 0.00 C ATOM 1801 CG GLU A 111 15.656 7.538 -1.462 1.00 0.00 C ATOM 1802 CD GLU A 111 16.282 6.467 -0.581 1.00 0.00 C ATOM 1803 OE1 GLU A 111 16.182 6.583 0.575 1.00 0.00 O ATOM 1804 OE2 GLU A 111 16.881 5.522 -1.135 1.00 0.00 O ATOM 0 H GLU A 111 14.681 10.433 -1.082 1.00 0.00 H new ATOM 0 HA GLU A 111 16.533 8.990 0.612 1.00 0.00 H new ATOM 0 HB2 GLU A 111 16.145 9.409 -2.363 1.00 0.00 H new ATOM 0 HB3 GLU A 111 17.523 8.538 -1.722 1.00 0.00 H new ATOM 0 HG2 GLU A 111 14.662 7.778 -1.085 1.00 0.00 H new ATOM 0 HG3 GLU A 111 15.528 7.144 -2.470 1.00 0.00 H new ATOM 1811 N GLU A 112 17.648 11.422 0.784 1.00 0.00 N ATOM 1812 CA GLU A 112 18.699 12.419 0.926 1.00 0.00 C ATOM 1813 C GLU A 112 20.079 11.775 0.893 1.00 0.00 C ATOM 1814 O GLU A 112 20.836 12.048 -0.013 1.00 0.00 O ATOM 1815 CB GLU A 112 18.505 13.201 2.231 1.00 0.00 C ATOM 1816 CG GLU A 112 18.548 14.704 2.053 1.00 0.00 C ATOM 1817 CD GLU A 112 17.183 15.293 1.751 1.00 0.00 C ATOM 1818 OE1 GLU A 112 16.384 15.467 2.694 1.00 0.00 O ATOM 1819 OE2 GLU A 112 16.915 15.577 0.568 1.00 0.00 O ATOM 1820 OXT GLU A 112 20.394 11.005 1.825 1.00 0.00 O ATOM 0 H GLU A 112 16.987 11.401 1.561 1.00 0.00 H new ATOM 0 HA GLU A 112 18.633 13.107 0.083 1.00 0.00 H new ATOM 0 HB2 GLU A 112 17.547 12.924 2.671 1.00 0.00 H new ATOM 0 HB3 GLU A 112 19.279 12.906 2.939 1.00 0.00 H new ATOM 0 HG2 GLU A 112 18.946 15.163 2.958 1.00 0.00 H new ATOM 0 HG3 GLU A 112 19.234 14.951 1.243 1.00 0.00 H new