USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 531 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 60 LYS NZ :NH3+ -140:sc= 0.979! (180deg=0.342) USER MOD Set 1.2: A 63 GLN : amide:sc= 1.15 K(o=2.1,f=-18!) USER MOD Set 2.1: A 58 THR OG1 : rot -79:sc= 0.975 USER MOD Set 2.2: A 61 THR OG1 : rot -179:sc= 1.21 USER MOD Set 3.1: A 40 LYS NZ :NH3+ -111:sc= 0.841! (180deg=-1.76!) USER MOD Set 3.2: A 42 SER OG : rot -86:sc= 0.561! USER MOD Set 4.1: A 28 GLN : amide:sc= -0.0264 X(o=-0.7,f=-0.69) USER MOD Set 4.2: A 29 GLN : amide:sc= -0.679 K(o=-0.7,f=-2.2!) USER MOD Set 5.1: A 18 THR OG1 : rot -53:sc= 1.71 USER MOD Set 5.2: A 19 CYS SG : rot -59:sc= 1.29 USER MOD Set 5.3: A 21 SER OG : rot -121:sc= 1.7 USER MOD Set 5.4: A 22 CYS SG : rot 38:sc= 1.49 USER MOD Set 6.1: A 13 SER OG : rot -44:sc= 0.171 USER MOD Set 6.2: A 47 ASN : amide:sc= -0.54 K(o=-0.37,f=-0.99!) USER MOD Set 7.1: A 11 THR OG1 : rot 66:sc= 0.763 USER MOD Set 7.2: A 49 THR OG1 : rot 118:sc= 0.924 USER MOD Single : A 8 ASN : amide:sc= -0.155 K(o=-0.16,f=-2) USER MOD Single : A 9 SER OG : rot 180:sc= -0.0421 USER MOD Single : A 17 MET CE :methyl 149:sc= -3.64! (180deg=-6.7!) USER MOD Single : A 20 ASN : amide:sc= -2.07! C(o=-2.1!,f=-5!) USER MOD Single : A 25 THR OG1 : rot 108:sc= 0.912 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= 0.276 K(o=0.28,f=-1.3) USER MOD Single : A 37 HIS :FLIP no HD1:sc= -0.35 F(o=-1.8,f=-0.35) USER MOD Single : A 38 HIS :FLIP no HD1:sc= -2.05 F(o=-6!,f=-2.1) USER MOD Single : A 46 LYS NZ :NH3+ 162:sc= 1.82 (180deg=1.52) USER MOD Single : A 52 TYR OH : rot 180:sc= -0.462 USER MOD Single : A 55 LYS NZ :NH3+ 172:sc= 0.747 (180deg=0.584) USER MOD Single : A 57 GLN : amide:sc= -3.36! C(o=-3.4!,f=-8.9!) USER MOD Single : A 69 MET CE :methyl -177:sc= -3.36! (180deg=-3.4!) USER MOD ----------------------------------------------------------------- ATOM 81 N VAL A 7 1.994 -15.712 -0.400 1.00 0.00 N ATOM 82 CA VAL A 7 1.912 -14.218 -0.230 1.00 0.00 C ATOM 83 C VAL A 7 0.957 -13.606 -1.282 1.00 0.00 C ATOM 84 O VAL A 7 0.676 -14.200 -2.306 1.00 0.00 O ATOM 85 CB VAL A 7 3.353 -13.696 -0.396 1.00 0.00 C ATOM 86 CG1 VAL A 7 3.425 -12.238 0.031 1.00 0.00 C ATOM 87 CG2 VAL A 7 4.314 -14.497 0.491 1.00 0.00 C ATOM 0 HA VAL A 7 1.510 -13.939 0.744 1.00 0.00 H new ATOM 0 HB VAL A 7 3.636 -13.802 -1.443 1.00 0.00 H new ATOM 0 HG11 VAL A 7 4.445 -11.874 -0.088 1.00 0.00 H new ATOM 0 HG12 VAL A 7 2.753 -11.644 -0.588 1.00 0.00 H new ATOM 0 HG13 VAL A 7 3.128 -12.150 1.076 1.00 0.00 H new ATOM 0 HG21 VAL A 7 5.328 -14.118 0.364 1.00 0.00 H new ATOM 0 HG22 VAL A 7 4.017 -14.395 1.535 1.00 0.00 H new ATOM 0 HG23 VAL A 7 4.281 -15.549 0.206 1.00 0.00 H new ATOM 97 N ASN A 8 0.437 -12.428 -1.024 1.00 0.00 N ATOM 98 CA ASN A 8 -0.515 -11.797 -2.002 1.00 0.00 C ATOM 99 C ASN A 8 -0.036 -10.393 -2.424 1.00 0.00 C ATOM 100 O ASN A 8 0.848 -9.817 -1.816 1.00 0.00 O ATOM 101 CB ASN A 8 -1.847 -11.722 -1.246 1.00 0.00 C ATOM 102 CG ASN A 8 -2.585 -13.060 -1.355 1.00 0.00 C ATOM 103 OD1 ASN A 8 -2.696 -13.786 -0.390 1.00 0.00 O ATOM 104 ND2 ASN A 8 -3.103 -13.416 -2.494 1.00 0.00 N ATOM 0 H ASN A 8 0.627 -11.878 -0.186 1.00 0.00 H new ATOM 0 HA ASN A 8 -0.595 -12.370 -2.926 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -1.667 -11.480 -0.198 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -2.464 -10.922 -1.656 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -3.600 -14.303 -2.573 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -3.012 -12.808 -3.308 1.00 0.00 H new ATOM 111 N SER A 9 -0.613 -9.840 -3.472 1.00 0.00 N ATOM 112 CA SER A 9 -0.186 -8.476 -3.943 1.00 0.00 C ATOM 113 C SER A 9 -1.345 -7.476 -3.917 1.00 0.00 C ATOM 114 O SER A 9 -2.487 -7.820 -4.151 1.00 0.00 O ATOM 115 CB SER A 9 0.308 -8.680 -5.375 1.00 0.00 C ATOM 116 OG SER A 9 1.692 -9.017 -5.352 1.00 0.00 O ATOM 0 H SER A 9 -1.358 -10.272 -4.019 1.00 0.00 H new ATOM 0 HA SER A 9 0.584 -8.061 -3.292 1.00 0.00 H new ATOM 0 HB2 SER A 9 -0.263 -9.472 -5.860 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.153 -7.772 -5.958 1.00 0.00 H new ATOM 0 HG SER A 9 2.012 -9.150 -6.269 1.00 0.00 H new ATOM 122 N VAL A 10 -1.048 -6.234 -3.620 1.00 0.00 N ATOM 123 CA VAL A 10 -2.115 -5.187 -3.554 1.00 0.00 C ATOM 124 C VAL A 10 -1.676 -3.908 -4.292 1.00 0.00 C ATOM 125 O VAL A 10 -0.531 -3.493 -4.211 1.00 0.00 O ATOM 126 CB VAL A 10 -2.290 -4.937 -2.044 1.00 0.00 C ATOM 127 CG1 VAL A 10 -2.516 -3.446 -1.751 1.00 0.00 C ATOM 128 CG2 VAL A 10 -3.499 -5.729 -1.545 1.00 0.00 C ATOM 0 H VAL A 10 -0.106 -5.899 -3.419 1.00 0.00 H new ATOM 0 HA VAL A 10 -3.044 -5.495 -4.034 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.382 -5.257 -1.534 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.636 -3.300 -0.677 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.658 -2.872 -2.101 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.414 -3.106 -2.266 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.630 -5.558 -0.477 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -4.393 -5.403 -2.077 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.337 -6.792 -1.725 1.00 0.00 H new ATOM 138 N THR A 11 -2.584 -3.270 -4.997 1.00 0.00 N ATOM 139 CA THR A 11 -2.233 -2.007 -5.721 1.00 0.00 C ATOM 140 C THR A 11 -3.082 -0.841 -5.193 1.00 0.00 C ATOM 141 O THR A 11 -4.292 -0.944 -5.062 1.00 0.00 O ATOM 142 CB THR A 11 -2.507 -2.286 -7.202 1.00 0.00 C ATOM 143 OG1 THR A 11 -1.436 -3.062 -7.733 1.00 0.00 O ATOM 144 CG2 THR A 11 -2.587 -0.968 -7.968 1.00 0.00 C ATOM 0 H THR A 11 -3.553 -3.571 -5.101 1.00 0.00 H new ATOM 0 HA THR A 11 -1.192 -1.720 -5.571 1.00 0.00 H new ATOM 0 HB THR A 11 -3.450 -2.824 -7.301 1.00 0.00 H new ATOM 0 HG1 THR A 11 -1.431 -3.946 -7.309 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.782 -1.170 -9.021 1.00 0.00 H new ATOM 0 HG22 THR A 11 -3.394 -0.359 -7.560 1.00 0.00 H new ATOM 0 HG23 THR A 11 -1.643 -0.432 -7.870 1.00 0.00 H new ATOM 152 N ILE A 12 -2.451 0.259 -4.861 1.00 0.00 N ATOM 153 CA ILE A 12 -3.201 1.430 -4.306 1.00 0.00 C ATOM 154 C ILE A 12 -2.981 2.690 -5.149 1.00 0.00 C ATOM 155 O ILE A 12 -1.866 3.044 -5.477 1.00 0.00 O ATOM 156 CB ILE A 12 -2.619 1.639 -2.899 1.00 0.00 C ATOM 157 CG1 ILE A 12 -2.708 0.340 -2.095 1.00 0.00 C ATOM 158 CG2 ILE A 12 -3.396 2.740 -2.169 1.00 0.00 C ATOM 159 CD1 ILE A 12 -1.821 0.447 -0.853 1.00 0.00 C ATOM 0 H ILE A 12 -1.444 0.397 -4.951 1.00 0.00 H new ATOM 0 HA ILE A 12 -4.275 1.245 -4.300 1.00 0.00 H new ATOM 0 HB ILE A 12 -1.574 1.934 -2.994 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.741 0.151 -1.802 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.392 -0.503 -2.709 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.977 2.882 -1.173 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.321 3.671 -2.730 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -4.444 2.451 -2.084 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.884 -0.478 -0.280 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.788 0.616 -1.157 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.158 1.280 -0.236 1.00 0.00 H new ATOM 171 N SER A 13 -4.036 3.394 -5.473 1.00 0.00 N ATOM 172 CA SER A 13 -3.869 4.658 -6.261 1.00 0.00 C ATOM 173 C SER A 13 -3.634 5.819 -5.285 1.00 0.00 C ATOM 174 O SER A 13 -4.471 6.123 -4.464 1.00 0.00 O ATOM 175 CB SER A 13 -5.171 4.849 -7.039 1.00 0.00 C ATOM 176 OG SER A 13 -4.865 5.016 -8.421 1.00 0.00 O ATOM 0 H SER A 13 -4.997 3.154 -5.230 1.00 0.00 H new ATOM 0 HA SER A 13 -3.021 4.618 -6.944 1.00 0.00 H new ATOM 0 HB2 SER A 13 -5.823 3.987 -6.899 1.00 0.00 H new ATOM 0 HB3 SER A 13 -5.709 5.720 -6.665 1.00 0.00 H new ATOM 0 HG SER A 13 -4.107 5.629 -8.516 1.00 0.00 H new ATOM 182 N VAL A 14 -2.492 6.451 -5.353 1.00 0.00 N ATOM 183 CA VAL A 14 -2.180 7.567 -4.425 1.00 0.00 C ATOM 184 C VAL A 14 -2.112 8.898 -5.191 1.00 0.00 C ATOM 185 O VAL A 14 -1.201 9.146 -5.955 1.00 0.00 O ATOM 186 CB VAL A 14 -0.825 7.180 -3.799 1.00 0.00 C ATOM 187 CG1 VAL A 14 0.281 7.133 -4.859 1.00 0.00 C ATOM 188 CG2 VAL A 14 -0.454 8.197 -2.722 1.00 0.00 C ATOM 0 H VAL A 14 -1.754 6.235 -6.024 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.941 7.713 -3.659 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.921 6.187 -3.360 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.225 6.858 -4.388 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.025 6.395 -5.619 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.380 8.113 -5.325 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.504 7.924 -2.279 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.378 9.188 -3.168 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.222 8.205 -1.949 1.00 0.00 H new ATOM 198 N GLU A 15 -3.085 9.750 -5.003 1.00 0.00 N ATOM 199 CA GLU A 15 -3.095 11.045 -5.739 1.00 0.00 C ATOM 200 C GLU A 15 -2.786 12.227 -4.822 1.00 0.00 C ATOM 201 O GLU A 15 -2.188 13.199 -5.256 1.00 0.00 O ATOM 202 CB GLU A 15 -4.512 11.164 -6.308 1.00 0.00 C ATOM 203 CG GLU A 15 -4.439 11.243 -7.836 1.00 0.00 C ATOM 204 CD GLU A 15 -4.377 12.708 -8.273 1.00 0.00 C ATOM 205 OE1 GLU A 15 -5.420 13.331 -8.339 1.00 0.00 O ATOM 206 OE2 GLU A 15 -3.281 13.178 -8.538 1.00 0.00 O ATOM 0 H GLU A 15 -3.872 9.604 -4.371 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.328 11.064 -6.513 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.111 10.305 -6.005 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.003 12.052 -5.910 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.560 10.708 -8.196 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.310 10.758 -8.277 1.00 0.00 H new ATOM 213 N GLY A 16 -3.170 12.165 -3.569 1.00 0.00 N ATOM 214 CA GLY A 16 -2.899 13.308 -2.633 1.00 0.00 C ATOM 215 C GLY A 16 -1.403 13.445 -2.298 1.00 0.00 C ATOM 216 O GLY A 16 -1.053 13.896 -1.224 1.00 0.00 O ATOM 0 H GLY A 16 -3.659 11.373 -3.152 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -3.255 14.235 -3.082 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -3.464 13.163 -1.712 1.00 0.00 H new ATOM 220 N MET A 17 -0.512 13.091 -3.193 1.00 0.00 N ATOM 221 CA MET A 17 0.938 13.246 -2.887 1.00 0.00 C ATOM 222 C MET A 17 1.424 14.631 -3.352 1.00 0.00 C ATOM 223 O MET A 17 0.644 15.467 -3.763 1.00 0.00 O ATOM 224 CB MET A 17 1.636 12.115 -3.646 1.00 0.00 C ATOM 225 CG MET A 17 1.570 12.368 -5.153 1.00 0.00 C ATOM 226 SD MET A 17 2.706 11.244 -5.990 1.00 0.00 S ATOM 227 CE MET A 17 2.061 9.712 -5.281 1.00 0.00 C ATOM 0 H MET A 17 -0.727 12.705 -4.113 1.00 0.00 H new ATOM 0 HA MET A 17 1.152 13.186 -1.820 1.00 0.00 H new ATOM 0 HB2 MET A 17 2.676 12.042 -3.328 1.00 0.00 H new ATOM 0 HB3 MET A 17 1.162 11.162 -3.409 1.00 0.00 H new ATOM 0 HG2 MET A 17 0.554 12.215 -5.516 1.00 0.00 H new ATOM 0 HG3 MET A 17 1.834 13.402 -5.373 1.00 0.00 H new ATOM 0 HE1 MET A 17 2.188 8.899 -5.995 1.00 0.00 H new ATOM 0 HE2 MET A 17 2.603 9.479 -4.365 1.00 0.00 H new ATOM 0 HE3 MET A 17 1.002 9.834 -5.055 1.00 0.00 H new ATOM 237 N THR A 18 2.703 14.876 -3.281 1.00 0.00 N ATOM 238 CA THR A 18 3.252 16.221 -3.707 1.00 0.00 C ATOM 239 C THR A 18 4.659 16.110 -4.315 1.00 0.00 C ATOM 240 O THR A 18 5.057 16.926 -5.117 1.00 0.00 O ATOM 241 CB THR A 18 3.319 17.085 -2.429 1.00 0.00 C ATOM 242 OG1 THR A 18 4.417 16.678 -1.605 1.00 0.00 O ATOM 243 CG2 THR A 18 2.022 16.962 -1.629 1.00 0.00 C ATOM 0 H THR A 18 3.402 14.212 -2.948 1.00 0.00 H new ATOM 0 HA THR A 18 2.610 16.653 -4.475 1.00 0.00 H new ATOM 0 HB THR A 18 3.459 18.122 -2.733 1.00 0.00 H new ATOM 0 HG1 THR A 18 4.359 15.715 -1.435 1.00 0.00 H new ATOM 0 HG21 THR A 18 2.088 17.578 -0.732 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.184 17.299 -2.240 1.00 0.00 H new ATOM 0 HG23 THR A 18 1.868 15.921 -1.344 1.00 0.00 H new ATOM 251 N CYS A 19 5.420 15.117 -3.925 1.00 0.00 N ATOM 252 CA CYS A 19 6.808 14.949 -4.451 1.00 0.00 C ATOM 253 C CYS A 19 7.422 13.705 -3.813 1.00 0.00 C ATOM 254 O CYS A 19 6.802 13.088 -2.960 1.00 0.00 O ATOM 255 CB CYS A 19 7.569 16.210 -4.019 1.00 0.00 C ATOM 256 SG CYS A 19 7.433 16.432 -2.221 1.00 0.00 S ATOM 0 H CYS A 19 5.132 14.405 -3.254 1.00 0.00 H new ATOM 0 HA CYS A 19 6.840 14.826 -5.534 1.00 0.00 H new ATOM 0 HB2 CYS A 19 8.618 16.128 -4.305 1.00 0.00 H new ATOM 0 HB3 CYS A 19 7.165 17.082 -4.533 1.00 0.00 H new ATOM 0 HG CYS A 19 6.181 16.545 -1.891 1.00 0.00 H new ATOM 261 N ASN A 20 8.624 13.336 -4.198 1.00 0.00 N ATOM 262 CA ASN A 20 9.277 12.124 -3.598 1.00 0.00 C ATOM 263 C ASN A 20 9.069 12.095 -2.076 1.00 0.00 C ATOM 264 O ASN A 20 8.949 11.044 -1.486 1.00 0.00 O ATOM 265 CB ASN A 20 10.765 12.240 -3.941 1.00 0.00 C ATOM 266 CG ASN A 20 11.019 11.671 -5.335 1.00 0.00 C ATOM 267 OD1 ASN A 20 10.510 12.178 -6.308 1.00 0.00 O ATOM 268 ND2 ASN A 20 11.795 10.634 -5.475 1.00 0.00 N ATOM 0 H ASN A 20 9.181 13.821 -4.901 1.00 0.00 H new ATOM 0 HA ASN A 20 8.848 11.202 -3.990 1.00 0.00 H new ATOM 0 HB2 ASN A 20 11.077 13.284 -3.902 1.00 0.00 H new ATOM 0 HB3 ASN A 20 11.361 11.701 -3.204 1.00 0.00 H new ATOM 0 HD21 ASN A 20 11.972 10.251 -6.404 1.00 0.00 H new ATOM 0 HD22 ASN A 20 12.225 10.205 -4.656 1.00 0.00 H new ATOM 275 N SER A 21 8.992 13.242 -1.440 1.00 0.00 N ATOM 276 CA SER A 21 8.751 13.275 0.046 1.00 0.00 C ATOM 277 C SER A 21 7.486 12.466 0.404 1.00 0.00 C ATOM 278 O SER A 21 7.347 11.934 1.488 1.00 0.00 O ATOM 279 CB SER A 21 8.533 14.757 0.382 1.00 0.00 C ATOM 280 OG SER A 21 7.139 15.078 0.273 1.00 0.00 O ATOM 0 H SER A 21 9.085 14.157 -1.882 1.00 0.00 H new ATOM 0 HA SER A 21 9.582 12.840 0.602 1.00 0.00 H new ATOM 0 HB2 SER A 21 8.886 14.967 1.392 1.00 0.00 H new ATOM 0 HB3 SER A 21 9.114 15.383 -0.295 1.00 0.00 H new ATOM 0 HG SER A 21 7.018 15.790 -0.390 1.00 0.00 H new ATOM 286 N CYS A 22 6.580 12.359 -0.532 1.00 0.00 N ATOM 287 CA CYS A 22 5.314 11.593 -0.322 1.00 0.00 C ATOM 288 C CYS A 22 5.526 10.151 -0.773 1.00 0.00 C ATOM 289 O CYS A 22 4.922 9.232 -0.269 1.00 0.00 O ATOM 290 CB CYS A 22 4.293 12.317 -1.195 1.00 0.00 C ATOM 291 SG CYS A 22 4.185 14.043 -0.645 1.00 0.00 S ATOM 0 H CYS A 22 6.666 12.781 -1.457 1.00 0.00 H new ATOM 0 HA CYS A 22 4.987 11.550 0.717 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.590 12.271 -2.243 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.319 11.834 -1.119 1.00 0.00 H new ATOM 0 HG CYS A 22 5.369 14.469 -0.317 1.00 0.00 H new ATOM 296 N VAL A 23 6.446 9.953 -1.677 1.00 0.00 N ATOM 297 CA VAL A 23 6.781 8.578 -2.124 1.00 0.00 C ATOM 298 C VAL A 23 7.684 7.998 -1.055 1.00 0.00 C ATOM 299 O VAL A 23 7.514 6.878 -0.627 1.00 0.00 O ATOM 300 CB VAL A 23 7.523 8.731 -3.455 1.00 0.00 C ATOM 301 CG1 VAL A 23 8.316 7.455 -3.759 1.00 0.00 C ATOM 302 CG2 VAL A 23 6.510 8.971 -4.571 1.00 0.00 C ATOM 0 H VAL A 23 6.983 10.694 -2.127 1.00 0.00 H new ATOM 0 HA VAL A 23 5.917 7.928 -2.263 1.00 0.00 H new ATOM 0 HB VAL A 23 8.210 9.575 -3.389 1.00 0.00 H new ATOM 0 HG11 VAL A 23 8.841 7.570 -4.707 1.00 0.00 H new ATOM 0 HG12 VAL A 23 9.039 7.277 -2.963 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.632 6.609 -3.824 1.00 0.00 H new ATOM 0 HG21 VAL A 23 7.034 9.081 -5.521 1.00 0.00 H new ATOM 0 HG22 VAL A 23 5.826 8.124 -4.630 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.946 9.880 -4.361 1.00 0.00 H new ATOM 312 N TRP A 24 8.605 8.795 -0.562 1.00 0.00 N ATOM 313 CA TRP A 24 9.481 8.309 0.544 1.00 0.00 C ATOM 314 C TRP A 24 8.589 7.971 1.725 1.00 0.00 C ATOM 315 O TRP A 24 8.778 6.988 2.406 1.00 0.00 O ATOM 316 CB TRP A 24 10.399 9.472 0.927 1.00 0.00 C ATOM 317 CG TRP A 24 11.617 9.503 0.060 1.00 0.00 C ATOM 318 CD1 TRP A 24 12.453 8.465 -0.186 1.00 0.00 C ATOM 319 CD2 TRP A 24 12.150 10.633 -0.664 1.00 0.00 C ATOM 320 NE1 TRP A 24 13.462 8.904 -1.031 1.00 0.00 N ATOM 321 CE2 TRP A 24 13.316 10.237 -1.351 1.00 0.00 C ATOM 322 CE3 TRP A 24 11.723 11.955 -0.785 1.00 0.00 C ATOM 323 CZ2 TRP A 24 14.037 11.137 -2.137 1.00 0.00 C ATOM 324 CZ3 TRP A 24 12.432 12.867 -1.569 1.00 0.00 C ATOM 325 CH2 TRP A 24 13.592 12.461 -2.249 1.00 0.00 C ATOM 0 H TRP A 24 8.784 9.749 -0.876 1.00 0.00 H new ATOM 0 HA TRP A 24 10.063 7.435 0.253 1.00 0.00 H new ATOM 0 HB2 TRP A 24 9.858 10.413 0.833 1.00 0.00 H new ATOM 0 HB3 TRP A 24 10.695 9.377 1.972 1.00 0.00 H new ATOM 0 HD1 TRP A 24 12.351 7.465 0.209 1.00 0.00 H new ATOM 0 HE1 TRP A 24 14.219 8.313 -1.374 1.00 0.00 H new ATOM 0 HE3 TRP A 24 10.833 12.277 -0.266 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 14.929 10.816 -2.654 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 12.088 13.887 -1.653 1.00 0.00 H new ATOM 0 HH2 TRP A 24 14.139 13.167 -2.856 1.00 0.00 H new ATOM 336 N THR A 25 7.609 8.797 1.953 1.00 0.00 N ATOM 337 CA THR A 25 6.665 8.568 3.098 1.00 0.00 C ATOM 338 C THR A 25 5.813 7.304 2.886 1.00 0.00 C ATOM 339 O THR A 25 5.439 6.644 3.830 1.00 0.00 O ATOM 340 CB THR A 25 5.761 9.810 3.129 1.00 0.00 C ATOM 341 OG1 THR A 25 6.526 10.953 3.489 1.00 0.00 O ATOM 342 CG2 THR A 25 4.642 9.610 4.154 1.00 0.00 C ATOM 0 H THR A 25 7.414 9.629 1.396 1.00 0.00 H new ATOM 0 HA THR A 25 7.209 8.420 4.031 1.00 0.00 H new ATOM 0 HB THR A 25 5.328 9.958 2.140 1.00 0.00 H new ATOM 0 HG1 THR A 25 6.650 11.524 2.703 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.003 10.493 4.173 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.048 8.738 3.879 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.077 9.456 5.142 1.00 0.00 H new ATOM 350 N ILE A 26 5.509 6.964 1.660 1.00 0.00 N ATOM 351 CA ILE A 26 4.663 5.751 1.389 1.00 0.00 C ATOM 352 C ILE A 26 5.537 4.549 1.000 1.00 0.00 C ATOM 353 O ILE A 26 5.117 3.412 1.086 1.00 0.00 O ATOM 354 CB ILE A 26 3.730 6.177 0.245 1.00 0.00 C ATOM 355 CG1 ILE A 26 2.549 6.956 0.829 1.00 0.00 C ATOM 356 CG2 ILE A 26 3.190 4.949 -0.488 1.00 0.00 C ATOM 357 CD1 ILE A 26 2.364 8.266 0.064 1.00 0.00 C ATOM 0 H ILE A 26 5.809 7.473 0.828 1.00 0.00 H new ATOM 0 HA ILE A 26 4.101 5.428 2.265 1.00 0.00 H new ATOM 0 HB ILE A 26 4.291 6.796 -0.455 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.640 6.357 0.768 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.724 7.162 1.885 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.531 5.268 -1.295 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.021 4.378 -0.902 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.633 4.324 0.210 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.522 8.817 0.484 1.00 0.00 H new ATOM 0 HD12 ILE A 26 3.269 8.867 0.148 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.169 8.050 -0.986 1.00 0.00 H new ATOM 369 N GLU A 27 6.761 4.796 0.625 1.00 0.00 N ATOM 370 CA GLU A 27 7.696 3.687 0.287 1.00 0.00 C ATOM 371 C GLU A 27 8.364 3.267 1.587 1.00 0.00 C ATOM 372 O GLU A 27 8.672 2.109 1.804 1.00 0.00 O ATOM 373 CB GLU A 27 8.716 4.286 -0.693 1.00 0.00 C ATOM 374 CG GLU A 27 9.306 3.189 -1.589 1.00 0.00 C ATOM 375 CD GLU A 27 9.075 3.540 -3.063 1.00 0.00 C ATOM 376 OE1 GLU A 27 9.674 4.500 -3.519 1.00 0.00 O ATOM 377 OE2 GLU A 27 8.306 2.845 -3.711 1.00 0.00 O ATOM 0 H GLU A 27 7.158 5.731 0.537 1.00 0.00 H new ATOM 0 HA GLU A 27 7.215 2.818 -0.162 1.00 0.00 H new ATOM 0 HB2 GLU A 27 8.235 5.047 -1.308 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.514 4.781 -0.140 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.373 3.083 -1.394 1.00 0.00 H new ATOM 0 HG3 GLU A 27 8.843 2.230 -1.358 1.00 0.00 H new ATOM 384 N GLN A 28 8.545 4.214 2.478 1.00 0.00 N ATOM 385 CA GLN A 28 9.150 3.895 3.799 1.00 0.00 C ATOM 386 C GLN A 28 8.073 3.301 4.716 1.00 0.00 C ATOM 387 O GLN A 28 8.326 2.365 5.453 1.00 0.00 O ATOM 388 CB GLN A 28 9.663 5.236 4.343 1.00 0.00 C ATOM 389 CG GLN A 28 10.037 5.098 5.823 1.00 0.00 C ATOM 390 CD GLN A 28 9.062 5.915 6.673 1.00 0.00 C ATOM 391 OE1 GLN A 28 9.059 7.126 6.618 1.00 0.00 O ATOM 392 NE2 GLN A 28 8.231 5.301 7.462 1.00 0.00 N ATOM 0 H GLN A 28 8.297 5.194 2.341 1.00 0.00 H new ATOM 0 HA GLN A 28 9.957 3.165 3.732 1.00 0.00 H new ATOM 0 HB2 GLN A 28 10.531 5.561 3.770 1.00 0.00 H new ATOM 0 HB3 GLN A 28 8.897 6.002 4.224 1.00 0.00 H new ATOM 0 HG2 GLN A 28 10.006 4.050 6.121 1.00 0.00 H new ATOM 0 HG3 GLN A 28 11.057 5.445 5.985 1.00 0.00 H new ATOM 0 HE21 GLN A 28 8.232 4.282 7.510 1.00 0.00 H new ATOM 0 HE22 GLN A 28 7.578 5.838 8.033 1.00 0.00 H new ATOM 401 N GLN A 29 6.866 3.824 4.668 1.00 0.00 N ATOM 402 CA GLN A 29 5.787 3.262 5.549 1.00 0.00 C ATOM 403 C GLN A 29 5.372 1.866 5.061 1.00 0.00 C ATOM 404 O GLN A 29 5.493 0.887 5.776 1.00 0.00 O ATOM 405 CB GLN A 29 4.619 4.252 5.458 1.00 0.00 C ATOM 406 CG GLN A 29 4.773 5.332 6.540 1.00 0.00 C ATOM 407 CD GLN A 29 4.493 4.733 7.924 1.00 0.00 C ATOM 408 OE1 GLN A 29 5.345 4.092 8.505 1.00 0.00 O ATOM 409 NE2 GLN A 29 3.335 4.923 8.486 1.00 0.00 N ATOM 0 H GLN A 29 6.585 4.601 4.069 1.00 0.00 H new ATOM 0 HA GLN A 29 6.122 3.144 6.579 1.00 0.00 H new ATOM 0 HB2 GLN A 29 4.596 4.713 4.471 1.00 0.00 H new ATOM 0 HB3 GLN A 29 3.673 3.726 5.587 1.00 0.00 H new ATOM 0 HG2 GLN A 29 5.781 5.746 6.511 1.00 0.00 H new ATOM 0 HG3 GLN A 29 4.085 6.154 6.345 1.00 0.00 H new ATOM 0 HE21 GLN A 29 2.616 5.461 8.003 1.00 0.00 H new ATOM 0 HE22 GLN A 29 3.147 4.534 9.410 1.00 0.00 H new ATOM 418 N ILE A 30 4.896 1.762 3.849 1.00 0.00 N ATOM 419 CA ILE A 30 4.482 0.421 3.318 1.00 0.00 C ATOM 420 C ILE A 30 5.681 -0.546 3.301 1.00 0.00 C ATOM 421 O ILE A 30 5.556 -1.699 3.669 1.00 0.00 O ATOM 422 CB ILE A 30 3.966 0.689 1.895 1.00 0.00 C ATOM 423 CG1 ILE A 30 2.741 1.610 1.958 1.00 0.00 C ATOM 424 CG2 ILE A 30 3.574 -0.630 1.222 1.00 0.00 C ATOM 425 CD1 ILE A 30 1.635 0.953 2.786 1.00 0.00 C ATOM 0 H ILE A 30 4.774 2.541 3.202 1.00 0.00 H new ATOM 0 HA ILE A 30 3.718 -0.047 3.938 1.00 0.00 H new ATOM 0 HB ILE A 30 4.756 1.167 1.316 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.018 2.567 2.400 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.379 1.817 0.951 1.00 0.00 H new ATOM 0 HG21 ILE A 30 3.210 -0.430 0.214 1.00 0.00 H new ATOM 0 HG22 ILE A 30 4.444 -1.285 1.170 1.00 0.00 H new ATOM 0 HG23 ILE A 30 2.789 -1.115 1.802 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.769 1.614 2.826 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.349 0.007 2.326 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.998 0.769 3.797 1.00 0.00 H new ATOM 437 N GLY A 31 6.841 -0.081 2.888 1.00 0.00 N ATOM 438 CA GLY A 31 8.052 -0.966 2.849 1.00 0.00 C ATOM 439 C GLY A 31 8.259 -1.661 4.202 1.00 0.00 C ATOM 440 O GLY A 31 8.512 -2.851 4.262 1.00 0.00 O ATOM 0 H GLY A 31 7.000 0.877 2.576 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.937 -1.714 2.064 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.933 -0.375 2.600 1.00 0.00 H new ATOM 444 N LYS A 32 8.160 -0.930 5.285 1.00 0.00 N ATOM 445 CA LYS A 32 8.359 -1.560 6.631 1.00 0.00 C ATOM 446 C LYS A 32 7.065 -1.528 7.466 1.00 0.00 C ATOM 447 O LYS A 32 7.117 -1.506 8.682 1.00 0.00 O ATOM 448 CB LYS A 32 9.447 -0.715 7.300 1.00 0.00 C ATOM 449 CG LYS A 32 10.786 -1.460 7.245 1.00 0.00 C ATOM 450 CD LYS A 32 11.767 -0.831 8.246 1.00 0.00 C ATOM 451 CE LYS A 32 12.479 -1.931 9.043 1.00 0.00 C ATOM 452 NZ LYS A 32 13.918 -1.525 9.068 1.00 0.00 N ATOM 0 H LYS A 32 7.952 0.068 5.298 1.00 0.00 H new ATOM 0 HA LYS A 32 8.637 -2.611 6.545 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.534 0.248 6.796 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.176 -0.510 8.336 1.00 0.00 H new ATOM 0 HG2 LYS A 32 10.637 -2.514 7.480 1.00 0.00 H new ATOM 0 HG3 LYS A 32 11.199 -1.413 6.237 1.00 0.00 H new ATOM 0 HD2 LYS A 32 12.500 -0.222 7.716 1.00 0.00 H new ATOM 0 HD3 LYS A 32 11.231 -0.167 8.925 1.00 0.00 H new ATOM 0 HE2 LYS A 32 12.075 -2.011 10.052 1.00 0.00 H new ATOM 0 HE3 LYS A 32 12.352 -2.905 8.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 14.469 -2.231 9.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 14.278 -1.464 8.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 14.009 -0.598 9.530 1.00 0.00 H new ATOM 466 N VAL A 33 5.908 -1.518 6.839 1.00 0.00 N ATOM 467 CA VAL A 33 4.631 -1.476 7.628 1.00 0.00 C ATOM 468 C VAL A 33 4.427 -2.769 8.438 1.00 0.00 C ATOM 469 O VAL A 33 4.043 -2.727 9.595 1.00 0.00 O ATOM 470 CB VAL A 33 3.506 -1.282 6.596 1.00 0.00 C ATOM 471 CG1 VAL A 33 3.388 -2.508 5.684 1.00 0.00 C ATOM 472 CG2 VAL A 33 2.182 -1.073 7.332 1.00 0.00 C ATOM 0 H VAL A 33 5.793 -1.537 5.826 1.00 0.00 H new ATOM 0 HA VAL A 33 4.645 -0.667 8.358 1.00 0.00 H new ATOM 0 HB VAL A 33 3.739 -0.412 5.982 1.00 0.00 H new ATOM 0 HG11 VAL A 33 2.587 -2.349 4.962 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.329 -2.659 5.154 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.165 -3.389 6.286 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.380 -0.935 6.607 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.967 -1.946 7.949 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.254 -0.189 7.966 1.00 0.00 H new ATOM 482 N ASN A 34 4.683 -3.915 7.849 1.00 0.00 N ATOM 483 CA ASN A 34 4.505 -5.207 8.592 1.00 0.00 C ATOM 484 C ASN A 34 4.891 -6.400 7.709 1.00 0.00 C ATOM 485 O ASN A 34 5.672 -7.245 8.100 1.00 0.00 O ATOM 486 CB ASN A 34 3.012 -5.274 8.937 1.00 0.00 C ATOM 487 CG ASN A 34 2.840 -5.754 10.377 1.00 0.00 C ATOM 488 OD1 ASN A 34 2.461 -6.880 10.611 1.00 0.00 O ATOM 489 ND2 ASN A 34 3.104 -4.942 11.357 1.00 0.00 N ATOM 0 H ASN A 34 5.007 -4.012 6.887 1.00 0.00 H new ATOM 0 HA ASN A 34 5.137 -5.248 9.479 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.555 -4.292 8.813 1.00 0.00 H new ATOM 0 HB3 ASN A 34 2.501 -5.952 8.254 1.00 0.00 H new ATOM 0 HD21 ASN A 34 2.992 -5.254 12.322 1.00 0.00 H new ATOM 0 HD22 ASN A 34 3.423 -3.993 11.161 1.00 0.00 H new ATOM 496 N GLY A 35 4.335 -6.475 6.525 1.00 0.00 N ATOM 497 CA GLY A 35 4.644 -7.611 5.612 1.00 0.00 C ATOM 498 C GLY A 35 4.573 -7.140 4.163 1.00 0.00 C ATOM 499 O GLY A 35 3.588 -7.340 3.486 1.00 0.00 O ATOM 0 H GLY A 35 3.676 -5.791 6.152 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.637 -8.004 5.828 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.937 -8.424 5.775 1.00 0.00 H new ATOM 503 N VAL A 36 5.621 -6.528 3.686 1.00 0.00 N ATOM 504 CA VAL A 36 5.659 -6.052 2.285 1.00 0.00 C ATOM 505 C VAL A 36 6.985 -6.476 1.673 1.00 0.00 C ATOM 506 O VAL A 36 8.010 -5.842 1.848 1.00 0.00 O ATOM 507 CB VAL A 36 5.549 -4.531 2.352 1.00 0.00 C ATOM 508 CG1 VAL A 36 5.926 -3.935 0.994 1.00 0.00 C ATOM 509 CG2 VAL A 36 4.111 -4.141 2.696 1.00 0.00 C ATOM 0 H VAL A 36 6.467 -6.337 4.223 1.00 0.00 H new ATOM 0 HA VAL A 36 4.855 -6.463 1.674 1.00 0.00 H new ATOM 0 HB VAL A 36 6.224 -4.149 3.118 1.00 0.00 H new ATOM 0 HG11 VAL A 36 5.848 -2.849 1.039 1.00 0.00 H new ATOM 0 HG12 VAL A 36 6.949 -4.215 0.745 1.00 0.00 H new ATOM 0 HG13 VAL A 36 5.249 -4.316 0.229 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.030 -3.055 2.744 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.437 -4.521 1.928 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.839 -4.568 3.661 1.00 0.00 H new ATOM 519 N HIS A 37 6.963 -7.555 0.969 1.00 0.00 N ATOM 520 CA HIS A 37 8.220 -8.062 0.336 1.00 0.00 C ATOM 521 C HIS A 37 8.614 -7.154 -0.841 1.00 0.00 C ATOM 522 O HIS A 37 9.779 -6.986 -1.139 1.00 0.00 O ATOM 523 CB HIS A 37 7.898 -9.486 -0.135 1.00 0.00 C ATOM 524 CG HIS A 37 7.498 -10.343 1.043 1.00 0.00 C ATOM 525 ND1 HIS A 37 6.326 -10.440 1.757 1.00 0.00 N flip ATOM 526 CD2 HIS A 37 8.365 -11.260 1.614 1.00 0.00 C flip ATOM 527 CE1 HIS A 37 6.464 -11.402 2.752 1.00 0.00 C flip ATOM 528 NE2 HIS A 37 7.710 -11.864 2.624 1.00 0.00 N flip ATOM 0 H HIS A 37 6.132 -8.120 0.796 1.00 0.00 H new ATOM 0 HA HIS A 37 9.064 -8.063 1.026 1.00 0.00 H new ATOM 0 HB2 HIS A 37 7.091 -9.462 -0.868 1.00 0.00 H new ATOM 0 HB3 HIS A 37 8.767 -9.919 -0.631 1.00 0.00 H new ATOM 0 HD2 HIS A 37 9.381 -11.455 1.305 1.00 0.00 H new ATOM 0 HE1 HIS A 37 5.722 -11.710 3.474 1.00 0.00 H new ATOM 0 HE2 HIS A 37 8.116 -12.586 3.219 1.00 0.00 H new ATOM 536 N HIS A 38 7.649 -6.538 -1.481 1.00 0.00 N ATOM 537 CA HIS A 38 7.954 -5.607 -2.612 1.00 0.00 C ATOM 538 C HIS A 38 6.952 -4.455 -2.581 1.00 0.00 C ATOM 539 O HIS A 38 5.762 -4.661 -2.742 1.00 0.00 O ATOM 540 CB HIS A 38 7.788 -6.385 -3.929 1.00 0.00 C ATOM 541 CG HIS A 38 8.623 -7.633 -3.929 1.00 0.00 C ATOM 542 ND1 HIS A 38 8.505 -8.805 -3.239 1.00 0.00 N flip ATOM 543 CD2 HIS A 38 9.732 -7.780 -4.742 1.00 0.00 C flip ATOM 544 CE1 HIS A 38 9.521 -9.677 -3.611 1.00 0.00 C flip ATOM 545 NE2 HIS A 38 10.235 -9.008 -4.520 1.00 0.00 N flip ATOM 0 H HIS A 38 6.657 -6.641 -1.267 1.00 0.00 H new ATOM 0 HA HIS A 38 8.968 -5.216 -2.528 1.00 0.00 H new ATOM 0 HB2 HIS A 38 6.739 -6.646 -4.071 1.00 0.00 H new ATOM 0 HB3 HIS A 38 8.076 -5.751 -4.768 1.00 0.00 H new ATOM 0 HD2 HIS A 38 10.123 -7.044 -5.429 1.00 0.00 H new ATOM 0 HE1 HIS A 38 9.695 -10.678 -3.245 1.00 0.00 H new ATOM 0 HE2 HIS A 38 11.060 -9.382 -4.988 1.00 0.00 H new ATOM 553 N ILE A 39 7.411 -3.250 -2.385 1.00 0.00 N ATOM 554 CA ILE A 39 6.480 -2.097 -2.360 1.00 0.00 C ATOM 555 C ILE A 39 6.848 -1.150 -3.512 1.00 0.00 C ATOM 556 O ILE A 39 7.988 -0.742 -3.643 1.00 0.00 O ATOM 557 CB ILE A 39 6.686 -1.437 -0.983 1.00 0.00 C ATOM 558 CG1 ILE A 39 5.979 -0.076 -0.960 1.00 0.00 C ATOM 559 CG2 ILE A 39 8.182 -1.257 -0.680 1.00 0.00 C ATOM 560 CD1 ILE A 39 6.908 0.993 -1.526 1.00 0.00 C ATOM 0 H ILE A 39 8.394 -3.018 -2.241 1.00 0.00 H new ATOM 0 HA ILE A 39 5.435 -2.376 -2.492 1.00 0.00 H new ATOM 0 HB ILE A 39 6.260 -2.085 -0.217 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.061 -0.122 -1.546 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.693 0.179 0.060 1.00 0.00 H new ATOM 0 HG21 ILE A 39 8.302 -0.789 0.297 1.00 0.00 H new ATOM 0 HG22 ILE A 39 8.673 -2.230 -0.679 1.00 0.00 H new ATOM 0 HG23 ILE A 39 8.634 -0.624 -1.443 1.00 0.00 H new ATOM 0 HD11 ILE A 39 6.404 1.959 -1.509 1.00 0.00 H new ATOM 0 HD12 ILE A 39 7.813 1.045 -0.921 1.00 0.00 H new ATOM 0 HD13 ILE A 39 7.172 0.739 -2.553 1.00 0.00 H new ATOM 572 N LYS A 40 5.915 -0.806 -4.363 1.00 0.00 N ATOM 573 CA LYS A 40 6.258 0.109 -5.499 1.00 0.00 C ATOM 574 C LYS A 40 5.320 1.314 -5.534 1.00 0.00 C ATOM 575 O LYS A 40 4.125 1.178 -5.706 1.00 0.00 O ATOM 576 CB LYS A 40 6.101 -0.727 -6.777 1.00 0.00 C ATOM 577 CG LYS A 40 6.573 0.088 -7.997 1.00 0.00 C ATOM 578 CD LYS A 40 5.410 0.916 -8.571 1.00 0.00 C ATOM 579 CE LYS A 40 5.811 1.502 -9.934 1.00 0.00 C ATOM 580 NZ LYS A 40 6.202 2.923 -9.670 1.00 0.00 N ATOM 0 H LYS A 40 4.943 -1.113 -4.324 1.00 0.00 H new ATOM 0 HA LYS A 40 7.270 0.501 -5.395 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.682 -1.645 -6.695 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.059 -1.020 -6.905 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.390 0.749 -7.707 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.962 -0.583 -8.762 1.00 0.00 H new ATOM 0 HD2 LYS A 40 4.525 0.289 -8.680 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.149 1.719 -7.882 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.639 0.944 -10.371 1.00 0.00 H new ATOM 0 HE3 LYS A 40 4.983 1.449 -10.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 5.497 3.561 -10.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.247 3.086 -8.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.134 3.111 -10.091 1.00 0.00 H new ATOM 594 N VAL A 41 5.864 2.494 -5.406 1.00 0.00 N ATOM 595 CA VAL A 41 5.034 3.730 -5.460 1.00 0.00 C ATOM 596 C VAL A 41 5.309 4.431 -6.797 1.00 0.00 C ATOM 597 O VAL A 41 6.207 4.042 -7.526 1.00 0.00 O ATOM 598 CB VAL A 41 5.500 4.591 -4.272 1.00 0.00 C ATOM 599 CG1 VAL A 41 4.653 5.865 -4.180 1.00 0.00 C ATOM 600 CG2 VAL A 41 5.348 3.806 -2.965 1.00 0.00 C ATOM 0 H VAL A 41 6.861 2.655 -5.265 1.00 0.00 H new ATOM 0 HA VAL A 41 3.963 3.538 -5.395 1.00 0.00 H new ATOM 0 HB VAL A 41 6.546 4.854 -4.427 1.00 0.00 H new ATOM 0 HG11 VAL A 41 4.991 6.467 -3.336 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.758 6.439 -5.100 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.606 5.596 -4.038 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.680 4.422 -2.130 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.302 3.535 -2.823 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.954 2.901 -3.011 1.00 0.00 H new ATOM 610 N SER A 42 4.557 5.442 -7.146 1.00 0.00 N ATOM 611 CA SER A 42 4.801 6.128 -8.444 1.00 0.00 C ATOM 612 C SER A 42 4.412 7.603 -8.356 1.00 0.00 C ATOM 613 O SER A 42 3.314 7.990 -8.700 1.00 0.00 O ATOM 614 CB SER A 42 3.934 5.395 -9.468 1.00 0.00 C ATOM 615 OG SER A 42 4.777 4.635 -10.337 1.00 0.00 O ATOM 0 H SER A 42 3.789 5.819 -6.590 1.00 0.00 H new ATOM 0 HA SER A 42 5.855 6.101 -8.722 1.00 0.00 H new ATOM 0 HB2 SER A 42 3.227 4.738 -8.961 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.347 6.110 -10.044 1.00 0.00 H new ATOM 0 HG SER A 42 5.078 5.201 -11.078 1.00 0.00 H new ATOM 621 N LEU A 43 5.319 8.417 -7.887 1.00 0.00 N ATOM 622 CA LEU A 43 5.065 9.884 -7.753 1.00 0.00 C ATOM 623 C LEU A 43 4.334 10.465 -8.977 1.00 0.00 C ATOM 624 O LEU A 43 3.435 11.274 -8.842 1.00 0.00 O ATOM 625 CB LEU A 43 6.471 10.475 -7.648 1.00 0.00 C ATOM 626 CG LEU A 43 6.400 11.909 -7.144 1.00 0.00 C ATOM 627 CD1 LEU A 43 5.816 11.931 -5.734 1.00 0.00 C ATOM 628 CD2 LEU A 43 7.810 12.477 -7.109 1.00 0.00 C ATOM 0 H LEU A 43 6.247 8.121 -7.584 1.00 0.00 H new ATOM 0 HA LEU A 43 4.423 10.111 -6.901 1.00 0.00 H new ATOM 0 HB2 LEU A 43 7.077 9.873 -6.971 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.959 10.448 -8.622 1.00 0.00 H new ATOM 0 HG LEU A 43 5.767 12.503 -7.803 1.00 0.00 H new ATOM 0 HD11 LEU A 43 5.767 12.960 -5.377 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.813 11.504 -5.749 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.450 11.346 -5.068 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.779 13.506 -6.750 1.00 0.00 H new ATOM 0 HD22 LEU A 43 8.427 11.877 -6.440 1.00 0.00 H new ATOM 0 HD23 LEU A 43 8.236 12.456 -8.112 1.00 0.00 H new ATOM 640 N GLU A 44 4.728 10.084 -10.163 1.00 0.00 N ATOM 641 CA GLU A 44 4.073 10.642 -11.389 1.00 0.00 C ATOM 642 C GLU A 44 2.783 9.903 -11.727 1.00 0.00 C ATOM 643 O GLU A 44 1.774 10.511 -12.027 1.00 0.00 O ATOM 644 CB GLU A 44 5.112 10.489 -12.507 1.00 0.00 C ATOM 645 CG GLU A 44 6.175 11.596 -12.391 1.00 0.00 C ATOM 646 CD GLU A 44 7.086 11.337 -11.186 1.00 0.00 C ATOM 647 OE1 GLU A 44 7.689 10.278 -11.136 1.00 0.00 O ATOM 648 OE2 GLU A 44 7.162 12.205 -10.331 1.00 0.00 O ATOM 0 H GLU A 44 5.474 9.411 -10.339 1.00 0.00 H new ATOM 0 HA GLU A 44 3.781 11.682 -11.245 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.586 9.510 -12.443 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.623 10.543 -13.480 1.00 0.00 H new ATOM 0 HG2 GLU A 44 6.770 11.635 -13.303 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.689 12.566 -12.286 1.00 0.00 H new ATOM 655 N GLU A 45 2.793 8.609 -11.664 1.00 0.00 N ATOM 656 CA GLU A 45 1.542 7.844 -11.969 1.00 0.00 C ATOM 657 C GLU A 45 0.603 7.849 -10.753 1.00 0.00 C ATOM 658 O GLU A 45 -0.392 7.149 -10.742 1.00 0.00 O ATOM 659 CB GLU A 45 1.994 6.418 -12.286 1.00 0.00 C ATOM 660 CG GLU A 45 2.870 6.418 -13.541 1.00 0.00 C ATOM 661 CD GLU A 45 3.988 5.394 -13.376 1.00 0.00 C ATOM 662 OE1 GLU A 45 4.906 5.668 -12.620 1.00 0.00 O ATOM 663 OE2 GLU A 45 3.904 4.349 -13.996 1.00 0.00 O ATOM 0 H GLU A 45 3.604 8.041 -11.417 1.00 0.00 H new ATOM 0 HA GLU A 45 0.993 8.286 -12.801 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.550 6.007 -11.443 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.126 5.777 -12.438 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.269 6.179 -14.418 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.291 7.410 -13.704 1.00 0.00 H new ATOM 670 N LYS A 46 0.912 8.634 -9.732 1.00 0.00 N ATOM 671 CA LYS A 46 0.044 8.691 -8.505 1.00 0.00 C ATOM 672 C LYS A 46 -0.527 7.295 -8.166 1.00 0.00 C ATOM 673 O LYS A 46 -1.727 7.091 -8.123 1.00 0.00 O ATOM 674 CB LYS A 46 -1.073 9.682 -8.867 1.00 0.00 C ATOM 675 CG LYS A 46 -0.471 11.053 -9.213 1.00 0.00 C ATOM 676 CD LYS A 46 -0.059 11.785 -7.927 1.00 0.00 C ATOM 677 CE LYS A 46 0.004 13.295 -8.187 1.00 0.00 C ATOM 678 NZ LYS A 46 -1.186 13.871 -7.480 1.00 0.00 N ATOM 0 H LYS A 46 1.733 9.238 -9.701 1.00 0.00 H new ATOM 0 HA LYS A 46 0.596 9.006 -7.620 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.645 9.303 -9.714 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.767 9.781 -8.032 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.395 10.926 -9.862 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.198 11.650 -9.764 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.774 11.573 -7.132 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.912 11.424 -7.587 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.932 13.721 -7.805 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.031 13.512 -9.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.051 14.894 -7.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.042 13.703 -8.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -1.292 13.416 -6.551 1.00 0.00 H new ATOM 692 N ASN A 47 0.334 6.330 -7.925 1.00 0.00 N ATOM 693 CA ASN A 47 -0.145 4.946 -7.599 1.00 0.00 C ATOM 694 C ASN A 47 0.935 4.144 -6.871 1.00 0.00 C ATOM 695 O ASN A 47 2.117 4.332 -7.083 1.00 0.00 O ATOM 696 CB ASN A 47 -0.459 4.303 -8.952 1.00 0.00 C ATOM 697 CG ASN A 47 -1.323 3.058 -8.734 1.00 0.00 C ATOM 698 OD1 ASN A 47 -0.817 1.994 -8.449 1.00 0.00 O ATOM 699 ND2 ASN A 47 -2.615 3.147 -8.848 1.00 0.00 N ATOM 0 H ASN A 47 1.348 6.442 -7.940 1.00 0.00 H new ATOM 0 HA ASN A 47 -1.012 4.969 -6.938 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -0.981 5.014 -9.593 1.00 0.00 H new ATOM 0 HB3 ASN A 47 0.466 4.033 -9.462 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -3.198 2.324 -8.698 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -3.046 4.040 -9.088 1.00 0.00 H new ATOM 706 N ALA A 48 0.533 3.246 -6.017 1.00 0.00 N ATOM 707 CA ALA A 48 1.523 2.421 -5.273 1.00 0.00 C ATOM 708 C ALA A 48 1.050 0.961 -5.173 1.00 0.00 C ATOM 709 O ALA A 48 -0.008 0.674 -4.647 1.00 0.00 O ATOM 710 CB ALA A 48 1.604 3.069 -3.890 1.00 0.00 C ATOM 0 H ALA A 48 -0.444 3.047 -5.801 1.00 0.00 H new ATOM 0 HA ALA A 48 2.494 2.391 -5.768 1.00 0.00 H new ATOM 0 HB1 ALA A 48 2.316 2.521 -3.272 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.933 4.103 -3.991 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.621 3.045 -3.419 1.00 0.00 H new ATOM 716 N THR A 49 1.839 0.039 -5.659 1.00 0.00 N ATOM 717 CA THR A 49 1.461 -1.403 -5.573 1.00 0.00 C ATOM 718 C THR A 49 2.436 -2.134 -4.643 1.00 0.00 C ATOM 719 O THR A 49 3.570 -1.721 -4.473 1.00 0.00 O ATOM 720 CB THR A 49 1.510 -1.948 -7.011 1.00 0.00 C ATOM 721 OG1 THR A 49 0.851 -3.207 -7.059 1.00 0.00 O ATOM 722 CG2 THR A 49 2.959 -2.124 -7.470 1.00 0.00 C ATOM 0 H THR A 49 2.733 0.223 -6.114 1.00 0.00 H new ATOM 0 HA THR A 49 0.465 -1.549 -5.156 1.00 0.00 H new ATOM 0 HB THR A 49 1.013 -1.237 -7.672 1.00 0.00 H new ATOM 0 HG1 THR A 49 0.081 -3.151 -7.663 1.00 0.00 H new ATOM 0 HG21 THR A 49 2.973 -2.510 -8.489 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.470 -1.162 -7.439 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.467 -2.826 -6.809 1.00 0.00 H new ATOM 730 N ILE A 50 2.001 -3.186 -4.006 1.00 0.00 N ATOM 731 CA ILE A 50 2.912 -3.898 -3.053 1.00 0.00 C ATOM 732 C ILE A 50 2.444 -5.339 -2.777 1.00 0.00 C ATOM 733 O ILE A 50 1.278 -5.667 -2.910 1.00 0.00 O ATOM 734 CB ILE A 50 2.863 -3.036 -1.770 1.00 0.00 C ATOM 735 CG1 ILE A 50 3.378 -3.833 -0.562 1.00 0.00 C ATOM 736 CG2 ILE A 50 1.431 -2.556 -1.495 1.00 0.00 C ATOM 737 CD1 ILE A 50 2.248 -4.652 0.079 1.00 0.00 C ATOM 0 H ILE A 50 1.066 -3.583 -4.099 1.00 0.00 H new ATOM 0 HA ILE A 50 3.921 -4.002 -3.452 1.00 0.00 H new ATOM 0 HB ILE A 50 3.505 -2.169 -1.924 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.181 -4.499 -0.877 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.801 -3.150 0.175 1.00 0.00 H new ATOM 0 HG21 ILE A 50 1.418 -1.951 -0.588 1.00 0.00 H new ATOM 0 HG22 ILE A 50 1.080 -1.957 -2.336 1.00 0.00 H new ATOM 0 HG23 ILE A 50 0.777 -3.418 -1.366 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.639 -5.207 0.932 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.457 -3.981 0.415 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.844 -5.351 -0.654 1.00 0.00 H new ATOM 749 N ILE A 51 3.355 -6.189 -2.356 1.00 0.00 N ATOM 750 CA ILE A 51 2.986 -7.603 -2.027 1.00 0.00 C ATOM 751 C ILE A 51 3.076 -7.809 -0.516 1.00 0.00 C ATOM 752 O ILE A 51 3.793 -7.112 0.175 1.00 0.00 O ATOM 753 CB ILE A 51 3.967 -8.517 -2.796 1.00 0.00 C ATOM 754 CG1 ILE A 51 3.979 -9.920 -2.175 1.00 0.00 C ATOM 755 CG2 ILE A 51 5.388 -7.957 -2.788 1.00 0.00 C ATOM 756 CD1 ILE A 51 4.868 -9.921 -0.930 1.00 0.00 C ATOM 0 H ILE A 51 4.341 -5.961 -2.226 1.00 0.00 H new ATOM 0 HA ILE A 51 1.964 -7.840 -2.323 1.00 0.00 H new ATOM 0 HB ILE A 51 3.622 -8.567 -3.829 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.965 -10.221 -1.911 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.348 -10.646 -2.899 1.00 0.00 H new ATOM 0 HG21 ILE A 51 6.047 -8.628 -3.339 1.00 0.00 H new ATOM 0 HG22 ILE A 51 5.395 -6.974 -3.260 1.00 0.00 H new ATOM 0 HG23 ILE A 51 5.738 -7.868 -1.760 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.876 -10.918 -0.489 1.00 0.00 H new ATOM 0 HD12 ILE A 51 5.884 -9.639 -1.208 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.479 -9.207 -0.204 1.00 0.00 H new ATOM 768 N TYR A 52 2.313 -8.729 0.003 1.00 0.00 N ATOM 769 CA TYR A 52 2.301 -8.939 1.479 1.00 0.00 C ATOM 770 C TYR A 52 1.805 -10.343 1.853 1.00 0.00 C ATOM 771 O TYR A 52 1.114 -11.001 1.091 1.00 0.00 O ATOM 772 CB TYR A 52 1.287 -7.897 1.964 1.00 0.00 C ATOM 773 CG TYR A 52 -0.024 -8.161 1.259 1.00 0.00 C ATOM 774 CD1 TYR A 52 -0.217 -7.700 -0.049 1.00 0.00 C ATOM 775 CD2 TYR A 52 -1.022 -8.909 1.890 1.00 0.00 C ATOM 776 CE1 TYR A 52 -1.396 -7.989 -0.720 1.00 0.00 C ATOM 777 CE2 TYR A 52 -2.215 -9.191 1.216 1.00 0.00 C ATOM 778 CZ TYR A 52 -2.401 -8.734 -0.091 1.00 0.00 C ATOM 779 OH TYR A 52 -3.565 -9.028 -0.765 1.00 0.00 O ATOM 0 H TYR A 52 1.698 -9.344 -0.529 1.00 0.00 H new ATOM 0 HA TYR A 52 3.295 -8.844 1.917 1.00 0.00 H new ATOM 0 HB2 TYR A 52 1.159 -7.963 3.044 1.00 0.00 H new ATOM 0 HB3 TYR A 52 1.641 -6.890 1.746 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.553 -7.119 -0.536 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -0.872 -9.269 2.897 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -1.539 -7.638 -1.731 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -2.991 -9.761 1.705 1.00 0.00 H new ATOM 0 HH TYR A 52 -4.155 -9.553 -0.185 1.00 0.00 H new ATOM 789 N ASP A 53 2.119 -10.781 3.043 1.00 0.00 N ATOM 790 CA ASP A 53 1.643 -12.114 3.516 1.00 0.00 C ATOM 791 C ASP A 53 0.251 -11.951 4.141 1.00 0.00 C ATOM 792 O ASP A 53 0.098 -11.219 5.101 1.00 0.00 O ATOM 793 CB ASP A 53 2.673 -12.547 4.569 1.00 0.00 C ATOM 794 CG ASP A 53 2.927 -14.052 4.470 1.00 0.00 C ATOM 795 OD1 ASP A 53 2.108 -14.744 3.890 1.00 0.00 O ATOM 796 OD2 ASP A 53 3.938 -14.493 4.996 1.00 0.00 O ATOM 0 H ASP A 53 2.690 -10.267 3.714 1.00 0.00 H new ATOM 0 HA ASP A 53 1.558 -12.852 2.718 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.606 -12.003 4.422 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.312 -12.296 5.566 1.00 0.00 H new ATOM 801 N PRO A 54 -0.724 -12.642 3.588 1.00 0.00 N ATOM 802 CA PRO A 54 -2.117 -12.549 4.116 1.00 0.00 C ATOM 803 C PRO A 54 -2.143 -12.981 5.585 1.00 0.00 C ATOM 804 O PRO A 54 -2.932 -12.496 6.371 1.00 0.00 O ATOM 805 CB PRO A 54 -2.903 -13.498 3.207 1.00 0.00 C ATOM 806 CG PRO A 54 -1.870 -14.430 2.667 1.00 0.00 C ATOM 807 CD PRO A 54 -0.641 -13.585 2.463 1.00 0.00 C ATOM 0 HA PRO A 54 -2.537 -11.543 4.104 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -3.672 -14.035 3.762 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -3.407 -12.956 2.407 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -1.675 -15.247 3.362 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -2.198 -14.880 1.730 1.00 0.00 H new ATOM 0 HD2 PRO A 54 0.272 -14.179 2.496 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -0.654 -13.073 1.501 1.00 0.00 H new ATOM 815 N LYS A 55 -1.252 -13.863 5.957 1.00 0.00 N ATOM 816 CA LYS A 55 -1.170 -14.318 7.379 1.00 0.00 C ATOM 817 C LYS A 55 -0.701 -13.166 8.294 1.00 0.00 C ATOM 818 O LYS A 55 -0.876 -13.212 9.496 1.00 0.00 O ATOM 819 CB LYS A 55 -0.127 -15.446 7.369 1.00 0.00 C ATOM 820 CG LYS A 55 1.198 -14.931 6.778 1.00 0.00 C ATOM 821 CD LYS A 55 2.233 -14.768 7.898 1.00 0.00 C ATOM 822 CE LYS A 55 3.242 -15.918 7.844 1.00 0.00 C ATOM 823 NZ LYS A 55 4.470 -15.324 7.237 1.00 0.00 N ATOM 0 H LYS A 55 -0.571 -14.292 5.331 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.137 -14.647 7.759 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.035 -15.812 8.383 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -0.494 -16.287 6.781 1.00 0.00 H new ATOM 0 HG2 LYS A 55 1.568 -15.628 6.026 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.037 -13.977 6.276 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.749 -13.814 7.792 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.734 -14.755 8.867 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.445 -16.313 8.840 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.865 -16.746 7.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.250 -16.010 7.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 4.285 -15.086 6.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 4.732 -14.462 7.756 1.00 0.00 H new ATOM 837 N LEU A 56 -0.090 -12.146 7.736 1.00 0.00 N ATOM 838 CA LEU A 56 0.403 -11.009 8.577 1.00 0.00 C ATOM 839 C LEU A 56 -0.166 -9.660 8.091 1.00 0.00 C ATOM 840 O LEU A 56 -0.471 -8.789 8.884 1.00 0.00 O ATOM 841 CB LEU A 56 1.924 -11.061 8.412 1.00 0.00 C ATOM 842 CG LEU A 56 2.577 -9.867 9.114 1.00 0.00 C ATOM 843 CD1 LEU A 56 3.461 -10.366 10.255 1.00 0.00 C ATOM 844 CD2 LEU A 56 3.441 -9.106 8.113 1.00 0.00 C ATOM 0 H LEU A 56 0.088 -12.053 6.736 1.00 0.00 H new ATOM 0 HA LEU A 56 0.091 -11.095 9.618 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.310 -11.992 8.828 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.182 -11.054 7.353 1.00 0.00 H new ATOM 0 HG LEU A 56 1.802 -9.211 9.510 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.925 -9.516 10.754 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.853 -10.919 10.971 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.236 -11.020 9.855 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.908 -8.255 8.609 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.214 -9.768 7.723 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.819 -8.751 7.291 1.00 0.00 H new ATOM 856 N GLN A 57 -0.311 -9.481 6.803 1.00 0.00 N ATOM 857 CA GLN A 57 -0.861 -8.193 6.274 1.00 0.00 C ATOM 858 C GLN A 57 -1.994 -8.465 5.277 1.00 0.00 C ATOM 859 O GLN A 57 -2.054 -9.514 4.665 1.00 0.00 O ATOM 860 CB GLN A 57 0.320 -7.510 5.578 1.00 0.00 C ATOM 861 CG GLN A 57 0.779 -6.307 6.409 1.00 0.00 C ATOM 862 CD GLN A 57 -0.329 -5.253 6.486 1.00 0.00 C ATOM 863 OE1 GLN A 57 -1.187 -5.179 5.631 1.00 0.00 O ATOM 864 NE2 GLN A 57 -0.346 -4.423 7.486 1.00 0.00 N ATOM 0 H GLN A 57 -0.072 -10.172 6.092 1.00 0.00 H new ATOM 0 HA GLN A 57 -1.281 -7.571 7.064 1.00 0.00 H new ATOM 0 HB2 GLN A 57 1.142 -8.216 5.457 1.00 0.00 H new ATOM 0 HB3 GLN A 57 0.028 -7.185 4.579 1.00 0.00 H new ATOM 0 HG2 GLN A 57 1.049 -6.633 7.413 1.00 0.00 H new ATOM 0 HG3 GLN A 57 1.674 -5.871 5.964 1.00 0.00 H new ATOM 0 HE21 GLN A 57 0.372 -4.480 8.208 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -1.078 -3.715 7.549 1.00 0.00 H new ATOM 873 N THR A 58 -2.893 -7.530 5.102 1.00 0.00 N ATOM 874 CA THR A 58 -4.022 -7.748 4.138 1.00 0.00 C ATOM 875 C THR A 58 -4.243 -6.480 3.300 1.00 0.00 C ATOM 876 O THR A 58 -3.645 -5.455 3.564 1.00 0.00 O ATOM 877 CB THR A 58 -5.267 -8.046 5.000 1.00 0.00 C ATOM 878 OG1 THR A 58 -5.811 -6.824 5.474 1.00 0.00 O ATOM 879 CG2 THR A 58 -4.910 -8.937 6.196 1.00 0.00 C ATOM 0 H THR A 58 -2.897 -6.629 5.580 1.00 0.00 H new ATOM 0 HA THR A 58 -3.814 -8.566 3.449 1.00 0.00 H new ATOM 0 HB THR A 58 -5.996 -8.572 4.383 1.00 0.00 H new ATOM 0 HG1 THR A 58 -5.284 -6.506 6.237 1.00 0.00 H new ATOM 0 HG21 THR A 58 -5.806 -9.131 6.786 1.00 0.00 H new ATOM 0 HG22 THR A 58 -4.501 -9.881 5.837 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.169 -8.433 6.817 1.00 0.00 H new ATOM 887 N PRO A 59 -5.108 -6.578 2.316 1.00 0.00 N ATOM 888 CA PRO A 59 -5.403 -5.403 1.445 1.00 0.00 C ATOM 889 C PRO A 59 -6.154 -4.311 2.231 1.00 0.00 C ATOM 890 O PRO A 59 -6.241 -3.179 1.800 1.00 0.00 O ATOM 891 CB PRO A 59 -6.275 -5.990 0.336 1.00 0.00 C ATOM 892 CG PRO A 59 -6.891 -7.209 0.941 1.00 0.00 C ATOM 893 CD PRO A 59 -5.894 -7.758 1.926 1.00 0.00 C ATOM 0 HA PRO A 59 -4.505 -4.920 1.061 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -7.037 -5.280 0.014 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -5.681 -6.241 -0.543 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -7.829 -6.962 1.438 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -7.122 -7.947 0.173 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -6.388 -8.213 2.785 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -5.266 -8.527 1.475 1.00 0.00 H new ATOM 901 N LYS A 60 -6.673 -4.641 3.387 1.00 0.00 N ATOM 902 CA LYS A 60 -7.396 -3.629 4.213 1.00 0.00 C ATOM 903 C LYS A 60 -6.403 -2.947 5.167 1.00 0.00 C ATOM 904 O LYS A 60 -6.447 -1.752 5.385 1.00 0.00 O ATOM 905 CB LYS A 60 -8.443 -4.435 4.987 1.00 0.00 C ATOM 906 CG LYS A 60 -9.815 -3.778 4.829 1.00 0.00 C ATOM 907 CD LYS A 60 -9.932 -2.630 5.829 1.00 0.00 C ATOM 908 CE LYS A 60 -10.978 -1.623 5.346 1.00 0.00 C ATOM 909 NZ LYS A 60 -10.244 -0.330 5.229 1.00 0.00 N ATOM 0 H LYS A 60 -6.626 -5.574 3.796 1.00 0.00 H new ATOM 0 HA LYS A 60 -7.859 -2.841 3.619 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -8.474 -5.460 4.617 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -8.172 -4.485 6.042 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -9.940 -3.406 3.812 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -10.605 -4.509 5.000 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -10.212 -3.017 6.809 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -8.967 -2.137 5.945 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -11.403 -1.924 4.388 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -11.806 -1.545 6.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.849 0.444 5.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -9.377 -0.370 5.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.994 -0.161 4.234 1.00 0.00 H new ATOM 923 N THR A 61 -5.480 -3.708 5.696 1.00 0.00 N ATOM 924 CA THR A 61 -4.437 -3.162 6.604 1.00 0.00 C ATOM 925 C THR A 61 -3.446 -2.363 5.767 1.00 0.00 C ATOM 926 O THR A 61 -2.852 -1.406 6.220 1.00 0.00 O ATOM 927 CB THR A 61 -3.763 -4.392 7.229 1.00 0.00 C ATOM 928 OG1 THR A 61 -4.574 -5.554 7.051 1.00 0.00 O ATOM 929 CG2 THR A 61 -3.575 -4.150 8.715 1.00 0.00 C ATOM 0 H THR A 61 -5.408 -4.712 5.529 1.00 0.00 H new ATOM 0 HA THR A 61 -4.834 -2.502 7.375 1.00 0.00 H new ATOM 0 HB THR A 61 -2.801 -4.552 6.741 1.00 0.00 H new ATOM 0 HG1 THR A 61 -4.136 -6.325 7.468 1.00 0.00 H new ATOM 0 HG21 THR A 61 -3.097 -5.019 9.167 1.00 0.00 H new ATOM 0 HG22 THR A 61 -2.947 -3.271 8.864 1.00 0.00 H new ATOM 0 HG23 THR A 61 -4.546 -3.986 9.183 1.00 0.00 H new ATOM 937 N LEU A 62 -3.324 -2.721 4.516 1.00 0.00 N ATOM 938 CA LEU A 62 -2.438 -1.961 3.593 1.00 0.00 C ATOM 939 C LEU A 62 -3.130 -0.632 3.312 1.00 0.00 C ATOM 940 O LEU A 62 -2.506 0.389 3.099 1.00 0.00 O ATOM 941 CB LEU A 62 -2.354 -2.808 2.314 1.00 0.00 C ATOM 942 CG LEU A 62 -1.324 -3.927 2.482 1.00 0.00 C ATOM 943 CD1 LEU A 62 -1.608 -5.035 1.463 1.00 0.00 C ATOM 944 CD2 LEU A 62 0.077 -3.367 2.238 1.00 0.00 C ATOM 0 H LEU A 62 -3.805 -3.515 4.093 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.441 -1.770 3.990 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.331 -3.235 2.088 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.080 -2.176 1.469 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.387 -4.332 3.492 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.876 -5.834 1.580 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.609 -5.433 1.628 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.542 -4.627 0.454 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.813 -4.162 2.357 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.137 -2.966 1.226 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.282 -2.573 2.956 1.00 0.00 H new ATOM 956 N GLN A 63 -4.439 -0.646 3.382 1.00 0.00 N ATOM 957 CA GLN A 63 -5.218 0.604 3.188 1.00 0.00 C ATOM 958 C GLN A 63 -5.245 1.339 4.518 1.00 0.00 C ATOM 959 O GLN A 63 -5.211 2.543 4.579 1.00 0.00 O ATOM 960 CB GLN A 63 -6.622 0.159 2.778 1.00 0.00 C ATOM 961 CG GLN A 63 -7.528 1.388 2.675 1.00 0.00 C ATOM 962 CD GLN A 63 -8.963 0.954 2.386 1.00 0.00 C ATOM 963 OE1 GLN A 63 -9.471 0.038 3.003 1.00 0.00 O ATOM 964 NE2 GLN A 63 -9.652 1.578 1.476 1.00 0.00 N ATOM 0 H GLN A 63 -4.999 -1.478 3.567 1.00 0.00 H new ATOM 0 HA GLN A 63 -4.797 1.268 2.433 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -6.587 -0.363 1.822 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -7.022 -0.543 3.510 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -7.491 1.956 3.604 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -7.172 2.048 1.884 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -9.231 2.347 0.955 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -10.614 1.298 1.283 1.00 0.00 H new ATOM 973 N GLU A 64 -5.240 0.599 5.593 1.00 0.00 N ATOM 974 CA GLU A 64 -5.207 1.220 6.941 1.00 0.00 C ATOM 975 C GLU A 64 -3.823 1.813 7.167 1.00 0.00 C ATOM 976 O GLU A 64 -3.635 2.706 7.964 1.00 0.00 O ATOM 977 CB GLU A 64 -5.483 0.073 7.913 1.00 0.00 C ATOM 978 CG GLU A 64 -6.852 0.281 8.549 1.00 0.00 C ATOM 979 CD GLU A 64 -7.875 -0.651 7.908 1.00 0.00 C ATOM 980 OE1 GLU A 64 -8.007 -1.770 8.374 1.00 0.00 O ATOM 981 OE2 GLU A 64 -8.519 -0.225 6.963 1.00 0.00 O ATOM 0 H GLU A 64 -5.258 -0.421 5.591 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.934 2.022 7.068 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.453 -0.881 7.387 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.712 0.038 8.682 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.796 0.090 9.621 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.165 1.318 8.425 1.00 0.00 H new ATOM 988 N ALA A 65 -2.865 1.348 6.412 1.00 0.00 N ATOM 989 CA ALA A 65 -1.486 1.898 6.513 1.00 0.00 C ATOM 990 C ALA A 65 -1.372 3.060 5.529 1.00 0.00 C ATOM 991 O ALA A 65 -0.599 3.981 5.713 1.00 0.00 O ATOM 992 CB ALA A 65 -0.559 0.742 6.120 1.00 0.00 C ATOM 0 H ALA A 65 -2.981 0.604 5.724 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.232 2.270 7.506 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.478 1.074 6.171 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -0.707 -0.092 6.805 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -0.788 0.422 5.104 1.00 0.00 H new ATOM 998 N ILE A 66 -2.186 3.035 4.501 1.00 0.00 N ATOM 999 CA ILE A 66 -2.174 4.153 3.512 1.00 0.00 C ATOM 1000 C ILE A 66 -3.153 5.224 3.999 1.00 0.00 C ATOM 1001 O ILE A 66 -2.878 6.418 3.945 1.00 0.00 O ATOM 1002 CB ILE A 66 -2.606 3.518 2.172 1.00 0.00 C ATOM 1003 CG1 ILE A 66 -1.462 3.646 1.156 1.00 0.00 C ATOM 1004 CG2 ILE A 66 -3.856 4.207 1.614 1.00 0.00 C ATOM 1005 CD1 ILE A 66 -1.247 5.119 0.790 1.00 0.00 C ATOM 0 H ILE A 66 -2.855 2.290 4.306 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.203 4.635 3.394 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.839 2.468 2.348 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.546 3.229 1.574 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.694 3.070 0.260 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.138 3.740 0.670 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.675 4.108 2.327 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.645 5.263 1.447 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.434 5.200 0.069 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.161 5.522 0.353 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.994 5.684 1.687 1.00 0.00 H new ATOM 1017 N ASP A 67 -4.273 4.795 4.529 1.00 0.00 N ATOM 1018 CA ASP A 67 -5.261 5.767 5.077 1.00 0.00 C ATOM 1019 C ASP A 67 -4.655 6.404 6.338 1.00 0.00 C ATOM 1020 O ASP A 67 -4.927 7.544 6.667 1.00 0.00 O ATOM 1021 CB ASP A 67 -6.511 4.934 5.425 1.00 0.00 C ATOM 1022 CG ASP A 67 -7.290 4.539 4.158 1.00 0.00 C ATOM 1023 OD1 ASP A 67 -6.846 4.858 3.065 1.00 0.00 O ATOM 1024 OD2 ASP A 67 -8.328 3.915 4.308 1.00 0.00 O ATOM 0 H ASP A 67 -4.542 3.814 4.604 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.514 6.566 4.380 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -6.213 4.036 5.966 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -7.159 5.506 6.089 1.00 0.00 H new ATOM 1029 N ASP A 68 -3.807 5.667 7.034 1.00 0.00 N ATOM 1030 CA ASP A 68 -3.150 6.218 8.263 1.00 0.00 C ATOM 1031 C ASP A 68 -2.073 7.242 7.866 1.00 0.00 C ATOM 1032 O ASP A 68 -1.971 8.303 8.455 1.00 0.00 O ATOM 1033 CB ASP A 68 -2.526 4.996 8.955 1.00 0.00 C ATOM 1034 CG ASP A 68 -1.409 5.423 9.911 1.00 0.00 C ATOM 1035 OD1 ASP A 68 -1.707 5.666 11.069 1.00 0.00 O ATOM 1036 OD2 ASP A 68 -0.272 5.491 9.470 1.00 0.00 O ATOM 0 H ASP A 68 -3.546 4.709 6.799 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.848 6.738 8.919 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.294 4.453 9.506 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.128 4.312 8.205 1.00 0.00 H new ATOM 1041 N MET A 69 -1.272 6.930 6.869 1.00 0.00 N ATOM 1042 CA MET A 69 -0.206 7.883 6.430 1.00 0.00 C ATOM 1043 C MET A 69 -0.800 9.273 6.174 1.00 0.00 C ATOM 1044 O MET A 69 -0.304 10.266 6.673 1.00 0.00 O ATOM 1045 CB MET A 69 0.354 7.288 5.140 1.00 0.00 C ATOM 1046 CG MET A 69 1.492 6.330 5.483 1.00 0.00 C ATOM 1047 SD MET A 69 2.487 6.038 4.003 1.00 0.00 S ATOM 1048 CE MET A 69 1.417 4.787 3.257 1.00 0.00 C ATOM 0 H MET A 69 -1.314 6.057 6.344 1.00 0.00 H new ATOM 0 HA MET A 69 0.567 8.010 7.188 1.00 0.00 H new ATOM 0 HB2 MET A 69 -0.431 6.760 4.598 1.00 0.00 H new ATOM 0 HB3 MET A 69 0.715 8.082 4.486 1.00 0.00 H new ATOM 0 HG2 MET A 69 2.111 6.750 6.275 1.00 0.00 H new ATOM 0 HG3 MET A 69 1.091 5.388 5.858 1.00 0.00 H new ATOM 0 HE1 MET A 69 1.874 4.418 2.339 1.00 0.00 H new ATOM 0 HE2 MET A 69 1.284 3.960 3.954 1.00 0.00 H new ATOM 0 HE3 MET A 69 0.447 5.228 3.028 1.00 0.00 H new ATOM 1058 N GLY A 70 -1.864 9.351 5.416 1.00 0.00 N ATOM 1059 CA GLY A 70 -2.490 10.687 5.157 1.00 0.00 C ATOM 1060 C GLY A 70 -2.299 11.081 3.695 1.00 0.00 C ATOM 1061 O GLY A 70 -1.784 12.138 3.387 1.00 0.00 O ATOM 0 H GLY A 70 -2.324 8.558 4.969 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -3.553 10.652 5.396 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -2.042 11.439 5.806 1.00 0.00 H new ATOM 1065 N PHE A 71 -2.722 10.240 2.796 1.00 0.00 N ATOM 1066 CA PHE A 71 -2.580 10.552 1.347 1.00 0.00 C ATOM 1067 C PHE A 71 -3.880 10.200 0.623 1.00 0.00 C ATOM 1068 O PHE A 71 -4.350 9.080 0.704 1.00 0.00 O ATOM 1069 CB PHE A 71 -1.433 9.658 0.863 1.00 0.00 C ATOM 1070 CG PHE A 71 -0.104 10.322 1.143 1.00 0.00 C ATOM 1071 CD1 PHE A 71 0.373 11.323 0.288 1.00 0.00 C ATOM 1072 CD2 PHE A 71 0.659 9.933 2.254 1.00 0.00 C ATOM 1073 CE1 PHE A 71 1.610 11.932 0.540 1.00 0.00 C ATOM 1074 CE2 PHE A 71 1.894 10.544 2.504 1.00 0.00 C ATOM 1075 CZ PHE A 71 2.369 11.542 1.647 1.00 0.00 C ATOM 0 H PHE A 71 -3.163 9.344 3.003 1.00 0.00 H new ATOM 0 HA PHE A 71 -2.377 11.606 1.158 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -1.478 8.691 1.365 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -1.536 9.468 -0.205 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -0.213 11.626 -0.567 1.00 0.00 H new ATOM 0 HD2 PHE A 71 0.294 9.162 2.917 1.00 0.00 H new ATOM 0 HE1 PHE A 71 1.977 12.703 -0.121 1.00 0.00 H new ATOM 0 HE2 PHE A 71 2.481 10.244 3.360 1.00 0.00 H new ATOM 0 HZ PHE A 71 3.322 12.011 1.841 1.00 0.00 H new ATOM 1085 N ASP A 72 -4.468 11.141 -0.075 1.00 0.00 N ATOM 1086 CA ASP A 72 -5.744 10.850 -0.805 1.00 0.00 C ATOM 1087 C ASP A 72 -5.528 9.671 -1.766 1.00 0.00 C ATOM 1088 O ASP A 72 -5.068 9.838 -2.889 1.00 0.00 O ATOM 1089 CB ASP A 72 -6.074 12.136 -1.574 1.00 0.00 C ATOM 1090 CG ASP A 72 -6.269 13.289 -0.590 1.00 0.00 C ATOM 1091 OD1 ASP A 72 -7.354 13.401 -0.045 1.00 0.00 O ATOM 1092 OD2 ASP A 72 -5.326 14.037 -0.398 1.00 0.00 O ATOM 0 H ASP A 72 -4.122 12.096 -0.171 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.558 10.573 -0.135 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -5.269 12.372 -2.270 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -6.977 11.995 -2.167 1.00 0.00 H new ATOM 1097 N ALA A 73 -5.814 8.475 -1.315 1.00 0.00 N ATOM 1098 CA ALA A 73 -5.590 7.282 -2.177 1.00 0.00 C ATOM 1099 C ALA A 73 -6.887 6.495 -2.425 1.00 0.00 C ATOM 1100 O ALA A 73 -7.946 6.815 -1.919 1.00 0.00 O ATOM 1101 CB ALA A 73 -4.585 6.436 -1.389 1.00 0.00 C ATOM 0 H ALA A 73 -6.192 8.277 -0.389 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.231 7.561 -3.167 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -4.356 5.529 -1.948 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -3.670 7.008 -1.235 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -5.013 6.169 -0.423 1.00 0.00 H new ATOM 1107 N VAL A 74 -6.784 5.450 -3.203 1.00 0.00 N ATOM 1108 CA VAL A 74 -7.961 4.591 -3.517 1.00 0.00 C ATOM 1109 C VAL A 74 -7.445 3.223 -3.984 1.00 0.00 C ATOM 1110 O VAL A 74 -7.143 3.006 -5.144 1.00 0.00 O ATOM 1111 CB VAL A 74 -8.751 5.331 -4.612 1.00 0.00 C ATOM 1112 CG1 VAL A 74 -7.840 5.706 -5.784 1.00 0.00 C ATOM 1113 CG2 VAL A 74 -9.880 4.437 -5.127 1.00 0.00 C ATOM 0 H VAL A 74 -5.914 5.150 -3.643 1.00 0.00 H new ATOM 0 HA VAL A 74 -8.613 4.415 -2.661 1.00 0.00 H new ATOM 0 HB VAL A 74 -9.162 6.242 -4.178 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -8.421 6.228 -6.544 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -7.040 6.356 -5.430 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -7.409 4.802 -6.214 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -10.437 4.964 -5.902 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -9.459 3.522 -5.542 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -10.550 4.187 -4.305 1.00 0.00 H new ATOM 1123 N ILE A 75 -7.298 2.315 -3.062 1.00 0.00 N ATOM 1124 CA ILE A 75 -6.773 0.970 -3.379 1.00 0.00 C ATOM 1125 C ILE A 75 -7.617 0.268 -4.445 1.00 0.00 C ATOM 1126 O ILE A 75 -8.798 0.516 -4.609 1.00 0.00 O ATOM 1127 CB ILE A 75 -6.825 0.204 -2.053 1.00 0.00 C ATOM 1128 CG1 ILE A 75 -8.280 0.042 -1.595 1.00 0.00 C ATOM 1129 CG2 ILE A 75 -6.038 0.956 -0.975 1.00 0.00 C ATOM 1130 CD1 ILE A 75 -8.364 -1.071 -0.550 1.00 0.00 C ATOM 0 H ILE A 75 -7.527 2.458 -2.078 1.00 0.00 H new ATOM 0 HA ILE A 75 -5.765 1.022 -3.790 1.00 0.00 H new ATOM 0 HB ILE A 75 -6.380 -0.779 -2.205 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -8.647 0.979 -1.175 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -8.917 -0.196 -2.447 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -6.083 0.401 -0.038 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -4.999 1.057 -1.287 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -6.472 1.946 -0.832 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -9.398 -1.187 -0.224 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -8.014 -2.007 -0.986 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -7.740 -0.814 0.306 1.00 0.00 H new