USER MOD reduce.3.24.130724 H: found=0, std=0, add=443, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 445 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 35 ASN :FLIP amide:sc= 0.786 F(o=0.06,f=1.5) USER MOD Set 1.2: A 37 THR OG1 : rot -62:sc= 0.717 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 123:sc= 0.111 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ -154:sc= -0.105 (180deg=-0.967) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 151:sc= -0.341 USER MOD Single : A 25 MET CE :methyl -145:sc= -2.67 (180deg=-8.53!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.0319 X(o=-0.032,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -146:sc= 0.427 (180deg=0.0522) USER MOD Single : A 58 GLN : amide:sc= -0.848 K(o=-0.85,f=-2.6) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -111:sc= 0.0831 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 88 N GLU A 7 -4.922 -8.312 -7.140 1.00 0.00 N ATOM 89 CA GLU A 7 -6.120 -7.738 -6.539 1.00 0.00 C ATOM 90 C GLU A 7 -7.224 -8.785 -6.420 1.00 0.00 C ATOM 91 O GLU A 7 -7.023 -9.955 -6.747 1.00 0.00 O ATOM 92 CB GLU A 7 -6.615 -6.551 -7.368 1.00 0.00 C ATOM 93 CG GLU A 7 -6.935 -6.908 -8.810 1.00 0.00 C ATOM 94 CD GLU A 7 -7.143 -5.684 -9.681 1.00 0.00 C ATOM 95 OE1 GLU A 7 -6.964 -4.557 -9.174 1.00 0.00 O ATOM 96 OE2 GLU A 7 -7.483 -5.854 -10.871 1.00 0.00 O ATOM 0 HA GLU A 7 -5.863 -7.391 -5.538 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -7.507 -6.137 -6.898 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -5.856 -5.768 -7.356 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -6.123 -7.508 -9.221 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -7.833 -7.526 -8.837 1.00 0.00 H new ATOM 103 N LEU A 8 -8.389 -8.355 -5.948 1.00 0.00 N ATOM 104 CA LEU A 8 -9.526 -9.254 -5.785 1.00 0.00 C ATOM 105 C LEU A 8 -10.740 -8.744 -6.556 1.00 0.00 C ATOM 106 O LEU A 8 -11.075 -7.561 -6.495 1.00 0.00 O ATOM 107 CB LEU A 8 -9.875 -9.402 -4.303 1.00 0.00 C ATOM 108 CG LEU A 8 -9.085 -10.459 -3.529 1.00 0.00 C ATOM 109 CD1 LEU A 8 -9.444 -11.855 -4.013 1.00 0.00 C ATOM 110 CD2 LEU A 8 -7.589 -10.213 -3.668 1.00 0.00 C ATOM 0 H LEU A 8 -8.571 -7.390 -5.672 1.00 0.00 H new ATOM 0 HA LEU A 8 -9.247 -10.228 -6.186 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -9.726 -8.438 -3.817 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -10.936 -9.639 -4.222 1.00 0.00 H new ATOM 0 HG LEU A 8 -9.350 -10.383 -2.474 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -8.872 -12.593 -3.451 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -10.509 -12.030 -3.862 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -9.208 -11.944 -5.073 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.042 -10.974 -3.111 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -7.309 -10.261 -4.720 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -7.344 -9.227 -3.272 1.00 0.00 H new ATOM 122 N VAL A 9 -11.396 -9.645 -7.280 1.00 0.00 N ATOM 123 CA VAL A 9 -12.574 -9.288 -8.060 1.00 0.00 C ATOM 124 C VAL A 9 -13.784 -10.116 -7.641 1.00 0.00 C ATOM 125 O VAL A 9 -13.664 -11.307 -7.352 1.00 0.00 O ATOM 126 CB VAL A 9 -12.330 -9.484 -9.568 1.00 0.00 C ATOM 127 CG1 VAL A 9 -11.247 -8.536 -10.061 1.00 0.00 C ATOM 128 CG2 VAL A 9 -11.959 -10.929 -9.864 1.00 0.00 C ATOM 0 H VAL A 9 -11.131 -10.628 -7.342 1.00 0.00 H new ATOM 0 HA VAL A 9 -12.774 -8.234 -7.865 1.00 0.00 H new ATOM 0 HB VAL A 9 -13.252 -9.253 -10.101 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -11.088 -8.689 -11.128 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -11.557 -7.506 -9.884 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.319 -8.733 -9.524 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -11.790 -11.049 -10.934 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -11.050 -11.190 -9.322 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -12.770 -11.585 -9.549 1.00 0.00 H new ATOM 138 N LEU A 10 -14.949 -9.478 -7.610 1.00 0.00 N ATOM 139 CA LEU A 10 -16.182 -10.156 -7.227 1.00 0.00 C ATOM 140 C LEU A 10 -16.997 -10.542 -8.457 1.00 0.00 C ATOM 141 O LEU A 10 -17.065 -9.790 -9.429 1.00 0.00 O ATOM 142 CB LEU A 10 -17.016 -9.260 -6.309 1.00 0.00 C ATOM 143 CG LEU A 10 -18.453 -9.714 -6.052 1.00 0.00 C ATOM 144 CD1 LEU A 10 -18.471 -11.093 -5.412 1.00 0.00 C ATOM 145 CD2 LEU A 10 -19.182 -8.707 -5.174 1.00 0.00 C ATOM 0 H LEU A 10 -15.065 -8.492 -7.845 1.00 0.00 H new ATOM 0 HA LEU A 10 -15.915 -11.067 -6.691 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -16.504 -9.180 -5.350 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -17.044 -8.259 -6.739 1.00 0.00 H new ATOM 0 HG LEU A 10 -18.971 -9.774 -7.009 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -19.502 -11.399 -5.237 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -17.988 -11.809 -6.077 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -17.936 -11.061 -4.463 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -20.203 -9.047 -5.002 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -18.664 -8.615 -4.219 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -19.201 -7.737 -5.671 1.00 0.00 H new ATOM 157 N ALA A 11 -17.615 -11.717 -8.407 1.00 0.00 N ATOM 158 CA ALA A 11 -18.429 -12.200 -9.515 1.00 0.00 C ATOM 159 C ALA A 11 -19.810 -11.554 -9.505 1.00 0.00 C ATOM 160 O ALA A 11 -20.500 -11.555 -8.485 1.00 0.00 O ATOM 161 CB ALA A 11 -18.553 -13.716 -9.457 1.00 0.00 C ATOM 0 H ALA A 11 -17.567 -12.352 -7.610 1.00 0.00 H new ATOM 0 HA ALA A 11 -17.934 -11.922 -10.445 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -19.164 -14.063 -10.290 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -17.562 -14.165 -9.522 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -19.023 -14.007 -8.517 1.00 0.00 H new ATOM 167 N LEU A 12 -20.207 -11.000 -10.646 1.00 0.00 N ATOM 168 CA LEU A 12 -21.507 -10.349 -10.768 1.00 0.00 C ATOM 169 C LEU A 12 -22.607 -11.373 -11.028 1.00 0.00 C ATOM 170 O LEU A 12 -23.549 -11.499 -10.245 1.00 0.00 O ATOM 171 CB LEU A 12 -21.477 -9.317 -11.897 1.00 0.00 C ATOM 172 CG LEU A 12 -20.487 -8.164 -11.728 1.00 0.00 C ATOM 173 CD1 LEU A 12 -20.642 -7.157 -12.856 1.00 0.00 C ATOM 174 CD2 LEU A 12 -20.680 -7.489 -10.378 1.00 0.00 C ATOM 0 H LEU A 12 -19.648 -10.989 -11.499 1.00 0.00 H new ATOM 0 HA LEU A 12 -21.723 -9.843 -9.827 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -21.246 -9.834 -12.828 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -22.477 -8.897 -12.005 1.00 0.00 H new ATOM 0 HG LEU A 12 -19.476 -8.570 -11.768 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -19.929 -6.344 -12.718 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -20.453 -7.648 -13.811 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -21.656 -6.756 -12.849 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -19.967 -6.671 -10.275 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -21.695 -7.097 -10.309 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -20.517 -8.215 -9.582 1.00 0.00 H new ATOM 186 N TYR A 13 -22.480 -12.102 -12.131 1.00 0.00 N ATOM 187 CA TYR A 13 -23.464 -13.115 -12.494 1.00 0.00 C ATOM 188 C TYR A 13 -22.862 -14.514 -12.410 1.00 0.00 C ATOM 189 O TYR A 13 -21.682 -14.677 -12.096 1.00 0.00 O ATOM 190 CB TYR A 13 -23.993 -12.859 -13.906 1.00 0.00 C ATOM 191 CG TYR A 13 -24.601 -11.487 -14.086 1.00 0.00 C ATOM 192 CD1 TYR A 13 -23.797 -10.367 -14.258 1.00 0.00 C ATOM 193 CD2 TYR A 13 -25.979 -11.310 -14.082 1.00 0.00 C ATOM 194 CE1 TYR A 13 -24.348 -9.110 -14.422 1.00 0.00 C ATOM 195 CE2 TYR A 13 -26.539 -10.057 -14.246 1.00 0.00 C ATOM 196 CZ TYR A 13 -25.719 -8.961 -14.416 1.00 0.00 C ATOM 197 OH TYR A 13 -26.273 -7.712 -14.578 1.00 0.00 O ATOM 0 H TYR A 13 -21.706 -12.011 -12.789 1.00 0.00 H new ATOM 0 HA TYR A 13 -24.291 -13.052 -11.786 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -23.177 -12.982 -14.618 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -24.742 -13.613 -14.146 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -22.723 -10.481 -14.264 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -26.624 -12.166 -13.948 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -23.709 -8.250 -14.554 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -27.612 -9.937 -14.241 1.00 0.00 H new ATOM 0 HH TYR A 13 -27.250 -7.781 -14.551 1.00 0.00 H new ATOM 207 N ASP A 14 -23.680 -15.521 -12.694 1.00 0.00 N ATOM 208 CA ASP A 14 -23.229 -16.908 -12.653 1.00 0.00 C ATOM 209 C ASP A 14 -22.718 -17.354 -14.020 1.00 0.00 C ATOM 210 O ASP A 14 -23.394 -17.178 -15.034 1.00 0.00 O ATOM 211 CB ASP A 14 -24.367 -17.823 -12.197 1.00 0.00 C ATOM 212 CG ASP A 14 -25.584 -17.725 -13.095 1.00 0.00 C ATOM 213 OD1 ASP A 14 -25.596 -18.389 -14.153 1.00 0.00 O ATOM 214 OD2 ASP A 14 -26.525 -16.985 -12.741 1.00 0.00 O ATOM 0 H ASP A 14 -24.659 -15.403 -12.955 1.00 0.00 H new ATOM 0 HA ASP A 14 -22.409 -16.977 -11.938 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -24.015 -18.854 -12.179 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -24.650 -17.565 -11.177 1.00 0.00 H new ATOM 219 N TYR A 15 -21.522 -17.930 -14.039 1.00 0.00 N ATOM 220 CA TYR A 15 -20.918 -18.398 -15.281 1.00 0.00 C ATOM 221 C TYR A 15 -20.417 -19.831 -15.137 1.00 0.00 C ATOM 222 O TYR A 15 -20.370 -20.376 -14.035 1.00 0.00 O ATOM 223 CB TYR A 15 -19.764 -17.480 -15.689 1.00 0.00 C ATOM 224 CG TYR A 15 -19.486 -17.481 -17.175 1.00 0.00 C ATOM 225 CD1 TYR A 15 -20.422 -16.990 -18.077 1.00 0.00 C ATOM 226 CD2 TYR A 15 -18.287 -17.972 -17.678 1.00 0.00 C ATOM 227 CE1 TYR A 15 -20.173 -16.989 -19.436 1.00 0.00 C ATOM 228 CE2 TYR A 15 -18.029 -17.974 -19.035 1.00 0.00 C ATOM 229 CZ TYR A 15 -18.975 -17.482 -19.910 1.00 0.00 C ATOM 230 OH TYR A 15 -18.722 -17.482 -21.262 1.00 0.00 O ATOM 0 H TYR A 15 -20.951 -18.084 -13.208 1.00 0.00 H new ATOM 0 HA TYR A 15 -21.682 -18.376 -16.058 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -19.990 -16.462 -15.371 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -18.862 -17.786 -15.159 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -21.361 -16.602 -17.709 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -17.544 -18.359 -16.996 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -20.912 -16.604 -20.123 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -17.092 -18.359 -19.409 1.00 0.00 H new ATOM 0 HH TYR A 15 -17.896 -16.985 -21.440 1.00 0.00 H new ATOM 240 N GLN A 16 -20.043 -20.436 -16.260 1.00 0.00 N ATOM 241 CA GLN A 16 -19.546 -21.806 -16.260 1.00 0.00 C ATOM 242 C GLN A 16 -18.296 -21.932 -17.126 1.00 0.00 C ATOM 243 O GLN A 16 -17.970 -21.028 -17.895 1.00 0.00 O ATOM 244 CB GLN A 16 -20.627 -22.764 -16.763 1.00 0.00 C ATOM 245 CG GLN A 16 -21.472 -23.365 -15.652 1.00 0.00 C ATOM 246 CD GLN A 16 -22.824 -23.845 -16.141 1.00 0.00 C ATOM 247 OE1 GLN A 16 -22.918 -24.559 -17.140 1.00 0.00 O ATOM 248 NE2 GLN A 16 -23.881 -23.454 -15.439 1.00 0.00 N ATOM 0 H GLN A 16 -20.075 -19.999 -17.181 1.00 0.00 H new ATOM 0 HA GLN A 16 -19.285 -22.070 -15.235 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -21.278 -22.232 -17.456 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -20.154 -23.570 -17.325 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -20.935 -24.201 -15.204 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -21.617 -22.622 -14.868 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -23.757 -22.862 -14.617 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -24.817 -23.745 -15.721 1.00 0.00 H new ATOM 257 N GLU A 17 -17.601 -23.058 -16.994 1.00 0.00 N ATOM 258 CA GLU A 17 -16.387 -23.299 -17.764 1.00 0.00 C ATOM 259 C GLU A 17 -16.719 -23.613 -19.220 1.00 0.00 C ATOM 260 O GLU A 17 -16.662 -24.766 -19.648 1.00 0.00 O ATOM 261 CB GLU A 17 -15.590 -24.453 -17.152 1.00 0.00 C ATOM 262 CG GLU A 17 -16.413 -25.710 -16.928 1.00 0.00 C ATOM 263 CD GLU A 17 -16.387 -26.175 -15.485 1.00 0.00 C ATOM 264 OE1 GLU A 17 -15.282 -26.271 -14.911 1.00 0.00 O ATOM 265 OE2 GLU A 17 -17.473 -26.442 -14.929 1.00 0.00 O ATOM 0 H GLU A 17 -17.858 -23.816 -16.362 1.00 0.00 H new ATOM 0 HA GLU A 17 -15.783 -22.392 -17.734 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -14.751 -24.690 -17.805 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -15.171 -24.129 -16.199 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -17.444 -25.523 -17.227 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -16.035 -26.506 -17.569 1.00 0.00 H new ATOM 272 N LYS A 18 -17.067 -22.578 -19.977 1.00 0.00 N ATOM 273 CA LYS A 18 -17.408 -22.740 -21.386 1.00 0.00 C ATOM 274 C LYS A 18 -16.197 -23.203 -22.189 1.00 0.00 C ATOM 275 O LYS A 18 -16.340 -23.802 -23.255 1.00 0.00 O ATOM 276 CB LYS A 18 -17.940 -21.424 -21.957 1.00 0.00 C ATOM 277 CG LYS A 18 -18.737 -21.595 -23.239 1.00 0.00 C ATOM 278 CD LYS A 18 -20.103 -22.202 -22.970 1.00 0.00 C ATOM 279 CE LYS A 18 -21.157 -21.127 -22.751 1.00 0.00 C ATOM 280 NZ LYS A 18 -21.164 -20.635 -21.345 1.00 0.00 N ATOM 0 H LYS A 18 -17.120 -21.617 -19.638 1.00 0.00 H new ATOM 0 HA LYS A 18 -18.184 -23.502 -21.462 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -18.570 -20.941 -21.209 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -17.101 -20.755 -22.147 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -18.858 -20.627 -23.725 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -18.184 -22.232 -23.930 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -20.394 -22.833 -23.810 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -20.050 -22.845 -22.092 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -20.970 -20.292 -23.427 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -22.140 -21.526 -23.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -22.109 -20.269 -21.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -20.926 -21.417 -20.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -20.462 -19.875 -21.240 1.00 0.00 H new ATOM 294 N SER A 19 -15.006 -22.922 -21.670 1.00 0.00 N ATOM 295 CA SER A 19 -13.770 -23.308 -22.340 1.00 0.00 C ATOM 296 C SER A 19 -12.914 -24.190 -21.436 1.00 0.00 C ATOM 297 O SER A 19 -13.084 -24.224 -20.217 1.00 0.00 O ATOM 298 CB SER A 19 -12.980 -22.065 -22.755 1.00 0.00 C ATOM 299 OG SER A 19 -13.353 -21.634 -24.053 1.00 0.00 O ATOM 0 H SER A 19 -14.871 -22.428 -20.788 1.00 0.00 H new ATOM 0 HA SER A 19 -14.032 -23.878 -23.232 1.00 0.00 H new ATOM 0 HB2 SER A 19 -13.155 -21.263 -22.038 1.00 0.00 H new ATOM 0 HB3 SER A 19 -11.913 -22.285 -22.734 1.00 0.00 H new ATOM 0 HG SER A 19 -12.836 -20.838 -24.294 1.00 0.00 H new ATOM 305 N PRO A 20 -11.971 -24.923 -22.047 1.00 0.00 N ATOM 306 CA PRO A 20 -11.069 -25.818 -21.317 1.00 0.00 C ATOM 307 C PRO A 20 -10.062 -25.056 -20.462 1.00 0.00 C ATOM 308 O PRO A 20 -9.335 -25.650 -19.665 1.00 0.00 O ATOM 309 CB PRO A 20 -10.352 -26.585 -22.432 1.00 0.00 C ATOM 310 CG PRO A 20 -10.412 -25.679 -23.613 1.00 0.00 C ATOM 311 CD PRO A 20 -11.712 -24.932 -23.496 1.00 0.00 C ATOM 0 HA PRO A 20 -11.608 -26.458 -20.618 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -9.321 -26.811 -22.158 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -10.843 -27.536 -22.637 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -9.566 -24.992 -23.621 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.370 -26.246 -24.543 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -11.632 -23.921 -23.896 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -12.512 -25.430 -24.044 1.00 0.00 H new ATOM 319 N ARG A 21 -10.025 -23.739 -20.632 1.00 0.00 N ATOM 320 CA ARG A 21 -9.107 -22.896 -19.876 1.00 0.00 C ATOM 321 C ARG A 21 -9.866 -22.020 -18.883 1.00 0.00 C ATOM 322 O ARG A 21 -9.280 -21.475 -17.948 1.00 0.00 O ATOM 323 CB ARG A 21 -8.287 -22.019 -20.824 1.00 0.00 C ATOM 324 CG ARG A 21 -9.125 -21.025 -21.611 1.00 0.00 C ATOM 325 CD ARG A 21 -8.275 -20.235 -22.594 1.00 0.00 C ATOM 326 NE ARG A 21 -8.126 -20.929 -23.870 1.00 0.00 N ATOM 327 CZ ARG A 21 -7.206 -20.615 -24.775 1.00 0.00 C ATOM 328 NH1 ARG A 21 -6.356 -19.623 -24.544 1.00 0.00 N ATOM 329 NH2 ARG A 21 -7.133 -21.294 -25.912 1.00 0.00 N ATOM 0 H ARG A 21 -10.620 -23.232 -21.287 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.432 -23.546 -19.319 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.540 -21.475 -20.247 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.747 -22.659 -21.522 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -9.909 -21.556 -22.151 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -9.620 -20.339 -20.923 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -8.730 -19.259 -22.763 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -7.291 -20.057 -22.161 1.00 0.00 H new ATOM 0 HE ARG A 21 -8.764 -21.697 -24.078 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -6.408 -19.100 -23.670 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -5.650 -19.384 -25.240 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -7.784 -22.058 -26.092 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -6.426 -21.052 -26.606 1.00 0.00 H new ATOM 343 N GLU A 22 -11.172 -21.889 -19.095 1.00 0.00 N ATOM 344 CA GLU A 22 -12.009 -21.078 -18.219 1.00 0.00 C ATOM 345 C GLU A 22 -12.596 -21.923 -17.092 1.00 0.00 C ATOM 346 O GLU A 22 -12.728 -23.140 -17.217 1.00 0.00 O ATOM 347 CB GLU A 22 -13.136 -20.422 -19.019 1.00 0.00 C ATOM 348 CG GLU A 22 -12.752 -19.082 -19.626 1.00 0.00 C ATOM 349 CD GLU A 22 -13.444 -18.822 -20.949 1.00 0.00 C ATOM 350 OE1 GLU A 22 -14.664 -19.071 -21.041 1.00 0.00 O ATOM 351 OE2 GLU A 22 -12.765 -18.367 -21.894 1.00 0.00 O ATOM 0 H GLU A 22 -11.672 -22.333 -19.865 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.384 -20.300 -17.779 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -13.445 -21.098 -19.817 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -13.999 -20.282 -18.368 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -13.003 -18.285 -18.926 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.672 -19.050 -19.772 1.00 0.00 H new ATOM 358 N VAL A 23 -12.947 -21.267 -15.990 1.00 0.00 N ATOM 359 CA VAL A 23 -13.520 -21.956 -14.840 1.00 0.00 C ATOM 360 C VAL A 23 -14.942 -21.480 -14.567 1.00 0.00 C ATOM 361 O VAL A 23 -15.410 -20.510 -15.163 1.00 0.00 O ATOM 362 CB VAL A 23 -12.667 -21.743 -13.575 1.00 0.00 C ATOM 363 CG1 VAL A 23 -11.442 -22.644 -13.599 1.00 0.00 C ATOM 364 CG2 VAL A 23 -12.262 -20.282 -13.446 1.00 0.00 C ATOM 0 H VAL A 23 -12.844 -20.259 -15.870 1.00 0.00 H new ATOM 0 HA VAL A 23 -13.536 -23.018 -15.083 1.00 0.00 H new ATOM 0 HB VAL A 23 -13.267 -22.009 -12.704 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -10.852 -22.480 -12.698 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -11.758 -23.686 -13.641 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -10.837 -22.413 -14.476 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -11.660 -20.149 -12.547 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -11.680 -19.987 -14.319 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -13.156 -19.661 -13.379 1.00 0.00 H new ATOM 374 N THR A 24 -15.627 -22.169 -13.659 1.00 0.00 N ATOM 375 CA THR A 24 -16.997 -21.818 -13.307 1.00 0.00 C ATOM 376 C THR A 24 -17.028 -20.766 -12.204 1.00 0.00 C ATOM 377 O THR A 24 -16.339 -20.893 -11.192 1.00 0.00 O ATOM 378 CB THR A 24 -17.792 -23.053 -12.844 1.00 0.00 C ATOM 379 OG1 THR A 24 -17.679 -24.100 -13.815 1.00 0.00 O ATOM 380 CG2 THR A 24 -19.258 -22.705 -12.635 1.00 0.00 C ATOM 0 H THR A 24 -15.255 -22.973 -13.154 1.00 0.00 H new ATOM 0 HA THR A 24 -17.461 -21.413 -14.206 1.00 0.00 H new ATOM 0 HB THR A 24 -17.376 -23.391 -11.895 1.00 0.00 H new ATOM 0 HG1 THR A 24 -17.752 -24.969 -13.369 1.00 0.00 H new ATOM 0 HG21 THR A 24 -19.800 -23.593 -12.308 1.00 0.00 H new ATOM 0 HG22 THR A 24 -19.343 -21.928 -11.875 1.00 0.00 H new ATOM 0 HG23 THR A 24 -19.684 -22.345 -13.572 1.00 0.00 H new ATOM 388 N MET A 25 -17.832 -19.727 -12.406 1.00 0.00 N ATOM 389 CA MET A 25 -17.954 -18.654 -11.426 1.00 0.00 C ATOM 390 C MET A 25 -19.399 -18.504 -10.961 1.00 0.00 C ATOM 391 O MET A 25 -20.330 -18.918 -11.651 1.00 0.00 O ATOM 392 CB MET A 25 -17.457 -17.334 -12.020 1.00 0.00 C ATOM 393 CG MET A 25 -16.004 -17.029 -11.693 1.00 0.00 C ATOM 394 SD MET A 25 -15.593 -15.288 -11.915 1.00 0.00 S ATOM 395 CE MET A 25 -16.384 -14.950 -13.486 1.00 0.00 C ATOM 0 H MET A 25 -18.408 -19.605 -13.239 1.00 0.00 H new ATOM 0 HA MET A 25 -17.339 -18.911 -10.564 1.00 0.00 H new ATOM 0 HB2 MET A 25 -17.579 -17.364 -13.103 1.00 0.00 H new ATOM 0 HB3 MET A 25 -18.082 -16.521 -11.651 1.00 0.00 H new ATOM 0 HG2 MET A 25 -15.799 -17.318 -10.662 1.00 0.00 H new ATOM 0 HG3 MET A 25 -15.358 -17.635 -12.328 1.00 0.00 H new ATOM 0 HE1 MET A 25 -15.783 -14.237 -14.050 1.00 0.00 H new ATOM 0 HE2 MET A 25 -16.476 -15.876 -14.054 1.00 0.00 H new ATOM 0 HE3 MET A 25 -17.375 -14.531 -13.312 1.00 0.00 H new ATOM 405 N LYS A 26 -19.579 -17.909 -9.787 1.00 0.00 N ATOM 406 CA LYS A 26 -20.910 -17.703 -9.229 1.00 0.00 C ATOM 407 C LYS A 26 -21.031 -16.315 -8.608 1.00 0.00 C ATOM 408 O LYS A 26 -20.119 -15.846 -7.926 1.00 0.00 O ATOM 409 CB LYS A 26 -21.216 -18.772 -8.177 1.00 0.00 C ATOM 410 CG LYS A 26 -22.692 -18.887 -7.839 1.00 0.00 C ATOM 411 CD LYS A 26 -23.452 -19.648 -8.912 1.00 0.00 C ATOM 412 CE LYS A 26 -23.417 -21.148 -8.663 1.00 0.00 C ATOM 413 NZ LYS A 26 -23.740 -21.922 -9.894 1.00 0.00 N ATOM 0 H LYS A 26 -18.819 -17.561 -9.203 1.00 0.00 H new ATOM 0 HA LYS A 26 -21.633 -17.783 -10.041 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -20.858 -19.737 -8.536 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -20.660 -18.544 -7.267 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -22.808 -19.394 -6.881 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -23.119 -17.891 -7.727 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -24.487 -19.307 -8.938 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -23.020 -19.430 -9.889 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -22.428 -21.434 -8.303 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -24.128 -21.402 -7.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -23.706 -22.940 -9.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -24.693 -21.669 -10.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -23.047 -21.699 -10.636 1.00 0.00 H new ATOM 427 N LYS A 27 -22.163 -15.661 -8.847 1.00 0.00 N ATOM 428 CA LYS A 27 -22.405 -14.328 -8.310 1.00 0.00 C ATOM 429 C LYS A 27 -22.152 -14.293 -6.806 1.00 0.00 C ATOM 430 O LYS A 27 -22.679 -15.116 -6.059 1.00 0.00 O ATOM 431 CB LYS A 27 -23.841 -13.889 -8.606 1.00 0.00 C ATOM 432 CG LYS A 27 -24.890 -14.884 -8.140 1.00 0.00 C ATOM 433 CD LYS A 27 -25.506 -15.633 -9.309 1.00 0.00 C ATOM 434 CE LYS A 27 -26.943 -16.039 -9.016 1.00 0.00 C ATOM 435 NZ LYS A 27 -27.920 -15.082 -9.604 1.00 0.00 N ATOM 0 H LYS A 27 -22.928 -16.034 -9.410 1.00 0.00 H new ATOM 0 HA LYS A 27 -21.713 -13.638 -8.794 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -24.025 -12.928 -8.125 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -23.951 -13.734 -9.679 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -24.437 -15.595 -7.449 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -25.672 -14.359 -7.590 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -25.479 -15.005 -10.200 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -24.913 -16.521 -9.527 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -27.127 -17.037 -9.414 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -27.092 -16.094 -7.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -28.887 -15.393 -9.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -27.761 -14.135 -9.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -27.795 -15.048 -10.636 1.00 0.00 H new ATOM 449 N GLY A 28 -21.343 -13.333 -6.368 1.00 0.00 N ATOM 450 CA GLY A 28 -21.036 -13.209 -4.955 1.00 0.00 C ATOM 451 C GLY A 28 -19.696 -13.818 -4.597 1.00 0.00 C ATOM 452 O GLY A 28 -19.154 -13.557 -3.523 1.00 0.00 O ATOM 0 H GLY A 28 -20.895 -12.639 -6.966 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -21.038 -12.155 -4.677 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -21.819 -13.694 -4.372 1.00 0.00 H new ATOM 456 N ASP A 29 -19.159 -14.634 -5.498 1.00 0.00 N ATOM 457 CA ASP A 29 -17.873 -15.284 -5.272 1.00 0.00 C ATOM 458 C ASP A 29 -16.724 -14.385 -5.719 1.00 0.00 C ATOM 459 O ASP A 29 -16.688 -13.930 -6.862 1.00 0.00 O ATOM 460 CB ASP A 29 -17.814 -16.618 -6.017 1.00 0.00 C ATOM 461 CG ASP A 29 -18.820 -17.621 -5.490 1.00 0.00 C ATOM 462 OD1 ASP A 29 -19.647 -17.239 -4.636 1.00 0.00 O ATOM 463 OD2 ASP A 29 -18.781 -18.789 -5.930 1.00 0.00 O ATOM 0 H ASP A 29 -19.595 -14.861 -6.392 1.00 0.00 H new ATOM 0 HA ASP A 29 -17.770 -15.470 -4.203 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -17.998 -16.447 -7.078 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -16.811 -17.035 -5.931 1.00 0.00 H new ATOM 468 N ILE A 30 -15.789 -14.133 -4.809 1.00 0.00 N ATOM 469 CA ILE A 30 -14.639 -13.289 -5.110 1.00 0.00 C ATOM 470 C ILE A 30 -13.396 -14.130 -5.383 1.00 0.00 C ATOM 471 O ILE A 30 -13.052 -15.019 -4.603 1.00 0.00 O ATOM 472 CB ILE A 30 -14.341 -12.312 -3.958 1.00 0.00 C ATOM 473 CG1 ILE A 30 -15.591 -11.498 -3.615 1.00 0.00 C ATOM 474 CG2 ILE A 30 -13.189 -11.391 -4.330 1.00 0.00 C ATOM 475 CD1 ILE A 30 -15.452 -10.684 -2.347 1.00 0.00 C ATOM 0 H ILE A 30 -15.805 -14.501 -3.858 1.00 0.00 H new ATOM 0 HA ILE A 30 -14.892 -12.718 -6.003 1.00 0.00 H new ATOM 0 HB ILE A 30 -14.052 -12.887 -3.078 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -15.818 -10.828 -4.444 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -16.439 -12.175 -3.512 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -12.990 -10.706 -3.506 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -12.298 -11.986 -4.531 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -13.452 -10.820 -5.220 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -16.375 -10.133 -2.166 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -15.256 -11.350 -1.507 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -14.625 -9.982 -2.454 1.00 0.00 H new ATOM 487 N LEU A 31 -12.726 -13.842 -6.493 1.00 0.00 N ATOM 488 CA LEU A 31 -11.519 -14.570 -6.868 1.00 0.00 C ATOM 489 C LEU A 31 -10.310 -13.640 -6.902 1.00 0.00 C ATOM 490 O LEU A 31 -10.450 -12.419 -6.823 1.00 0.00 O ATOM 491 CB LEU A 31 -11.704 -15.233 -8.234 1.00 0.00 C ATOM 492 CG LEU A 31 -12.972 -16.069 -8.408 1.00 0.00 C ATOM 493 CD1 LEU A 31 -13.277 -16.848 -7.138 1.00 0.00 C ATOM 494 CD2 LEU A 31 -14.149 -15.181 -8.786 1.00 0.00 C ATOM 0 H LEU A 31 -12.998 -13.110 -7.149 1.00 0.00 H new ATOM 0 HA LEU A 31 -11.341 -15.340 -6.117 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -11.699 -14.455 -8.997 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -10.842 -15.873 -8.425 1.00 0.00 H new ATOM 0 HG LEU A 31 -12.806 -16.782 -9.216 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -14.183 -17.437 -7.281 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -12.444 -17.513 -6.910 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -13.423 -16.153 -6.311 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -15.043 -15.793 -8.906 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -14.316 -14.444 -8.000 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -13.932 -14.669 -9.723 1.00 0.00 H new ATOM 506 N THR A 32 -9.122 -14.226 -7.021 1.00 0.00 N ATOM 507 CA THR A 32 -7.889 -13.450 -7.066 1.00 0.00 C ATOM 508 C THR A 32 -7.507 -13.108 -8.501 1.00 0.00 C ATOM 509 O THR A 32 -7.430 -13.987 -9.361 1.00 0.00 O ATOM 510 CB THR A 32 -6.724 -14.209 -6.404 1.00 0.00 C ATOM 511 OG1 THR A 32 -7.136 -14.729 -5.135 1.00 0.00 O ATOM 512 CG2 THR A 32 -5.520 -13.298 -6.218 1.00 0.00 C ATOM 0 H THR A 32 -8.988 -15.235 -7.088 1.00 0.00 H new ATOM 0 HA THR A 32 -8.074 -12.529 -6.513 1.00 0.00 H new ATOM 0 HB THR A 32 -6.438 -15.033 -7.058 1.00 0.00 H new ATOM 0 HG1 THR A 32 -6.390 -15.212 -4.721 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.710 -13.857 -5.749 1.00 0.00 H new ATOM 0 HG22 THR A 32 -5.190 -12.928 -7.189 1.00 0.00 H new ATOM 0 HG23 THR A 32 -5.796 -12.456 -5.583 1.00 0.00 H new ATOM 520 N LEU A 33 -7.268 -11.826 -8.755 1.00 0.00 N ATOM 521 CA LEU A 33 -6.893 -11.367 -10.088 1.00 0.00 C ATOM 522 C LEU A 33 -5.497 -11.858 -10.460 1.00 0.00 C ATOM 523 O LEU A 33 -4.536 -11.648 -9.719 1.00 0.00 O ATOM 524 CB LEU A 33 -6.944 -9.840 -10.156 1.00 0.00 C ATOM 525 CG LEU A 33 -7.189 -9.237 -11.540 1.00 0.00 C ATOM 526 CD1 LEU A 33 -6.044 -9.576 -12.481 1.00 0.00 C ATOM 527 CD2 LEU A 33 -8.512 -9.729 -12.108 1.00 0.00 C ATOM 0 H LEU A 33 -7.327 -11.086 -8.055 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.606 -11.780 -10.802 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.731 -9.493 -9.486 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.002 -9.448 -9.772 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.239 -8.153 -11.439 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.236 -9.138 -13.461 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.113 -9.175 -12.081 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.961 -10.659 -12.577 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.671 -9.290 -13.093 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.490 -10.815 -12.194 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.325 -9.434 -11.444 1.00 0.00 H new ATOM 539 N LEU A 34 -5.393 -12.510 -11.612 1.00 0.00 N ATOM 540 CA LEU A 34 -4.114 -13.030 -12.085 1.00 0.00 C ATOM 541 C LEU A 34 -3.708 -12.366 -13.397 1.00 0.00 C ATOM 542 O LEU A 34 -2.581 -11.897 -13.543 1.00 0.00 O ATOM 543 CB LEU A 34 -4.194 -14.546 -12.271 1.00 0.00 C ATOM 544 CG LEU A 34 -3.664 -15.393 -11.113 1.00 0.00 C ATOM 545 CD1 LEU A 34 -4.341 -15.000 -9.810 1.00 0.00 C ATOM 546 CD2 LEU A 34 -3.869 -16.873 -11.398 1.00 0.00 C ATOM 0 H LEU A 34 -6.179 -12.692 -12.237 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.357 -12.802 -11.334 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.235 -14.816 -12.446 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.641 -14.811 -13.172 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.595 -15.208 -11.012 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.951 -15.613 -8.998 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.142 -13.949 -9.599 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.416 -15.155 -9.898 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.486 -17.461 -10.564 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.932 -17.075 -11.526 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.336 -17.145 -12.309 1.00 0.00 H new ATOM 558 N ASN A 35 -4.637 -12.328 -14.347 1.00 0.00 N ATOM 559 CA ASN A 35 -4.376 -11.720 -15.647 1.00 0.00 C ATOM 560 C ASN A 35 -5.458 -10.703 -15.998 1.00 0.00 C ATOM 561 O ASN A 35 -6.645 -11.028 -16.025 1.00 0.00 O ATOM 562 CB ASN A 35 -4.301 -12.796 -16.731 1.00 0.00 C ATOM 563 CG ASN A 35 -3.499 -12.347 -17.937 1.00 0.00 C ATOM 564 OD1 ASN A 35 -4.099 -11.497 -18.762 1.00 0.00 O flip ATOM 565 ND2 ASN A 35 -2.355 -12.759 -18.125 1.00 0.00 N flip ATOM 0 H ASN A 35 -5.577 -12.711 -14.241 1.00 0.00 H new ATOM 0 HA ASN A 35 -3.419 -11.202 -15.593 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -3.851 -13.697 -16.314 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -5.310 -13.060 -17.047 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -1.933 -13.412 -17.465 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -1.829 -12.448 -18.941 1.00 0.00 H new ATOM 572 N SER A 36 -5.039 -9.470 -16.267 1.00 0.00 N ATOM 573 CA SER A 36 -5.972 -8.405 -16.614 1.00 0.00 C ATOM 574 C SER A 36 -5.513 -7.668 -17.869 1.00 0.00 C ATOM 575 O SER A 36 -5.801 -6.484 -18.049 1.00 0.00 O ATOM 576 CB SER A 36 -6.108 -7.419 -15.451 1.00 0.00 C ATOM 577 OG SER A 36 -4.877 -7.265 -14.767 1.00 0.00 O ATOM 0 H SER A 36 -4.060 -9.185 -16.251 1.00 0.00 H new ATOM 0 HA SER A 36 -6.943 -8.857 -16.814 1.00 0.00 H new ATOM 0 HB2 SER A 36 -6.442 -6.452 -15.827 1.00 0.00 H new ATOM 0 HB3 SER A 36 -6.871 -7.772 -14.758 1.00 0.00 H new ATOM 0 HG SER A 36 -4.990 -6.629 -14.030 1.00 0.00 H new ATOM 583 N THR A 37 -4.795 -8.377 -18.734 1.00 0.00 N ATOM 584 CA THR A 37 -4.294 -7.792 -19.972 1.00 0.00 C ATOM 585 C THR A 37 -5.260 -8.037 -21.126 1.00 0.00 C ATOM 586 O THR A 37 -4.882 -7.948 -22.293 1.00 0.00 O ATOM 587 CB THR A 37 -2.913 -8.362 -20.344 1.00 0.00 C ATOM 588 OG1 THR A 37 -3.047 -9.712 -20.804 1.00 0.00 O ATOM 589 CG2 THR A 37 -1.970 -8.320 -19.150 1.00 0.00 C ATOM 0 H THR A 37 -4.547 -9.357 -18.600 1.00 0.00 H new ATOM 0 HA THR A 37 -4.202 -6.720 -19.800 1.00 0.00 H new ATOM 0 HB THR A 37 -2.494 -7.747 -21.140 1.00 0.00 H new ATOM 0 HG1 THR A 37 -3.417 -10.267 -20.086 1.00 0.00 H new ATOM 0 HG21 THR A 37 -1.001 -8.728 -19.437 1.00 0.00 H new ATOM 0 HG22 THR A 37 -1.846 -7.288 -18.820 1.00 0.00 H new ATOM 0 HG23 THR A 37 -2.387 -8.914 -18.336 1.00 0.00 H new ATOM 597 N ASN A 38 -6.509 -8.345 -20.791 1.00 0.00 N ATOM 598 CA ASN A 38 -7.529 -8.602 -21.801 1.00 0.00 C ATOM 599 C ASN A 38 -8.907 -8.175 -21.303 1.00 0.00 C ATOM 600 O ASN A 38 -9.572 -8.911 -20.574 1.00 0.00 O ATOM 601 CB ASN A 38 -7.546 -10.086 -22.172 1.00 0.00 C ATOM 602 CG ASN A 38 -7.450 -10.309 -23.669 1.00 0.00 C ATOM 603 OD1 ASN A 38 -6.581 -11.041 -24.144 1.00 0.00 O ATOM 604 ND2 ASN A 38 -8.344 -9.677 -24.420 1.00 0.00 N ATOM 0 H ASN A 38 -6.839 -8.423 -19.829 1.00 0.00 H new ATOM 0 HA ASN A 38 -7.284 -8.016 -22.687 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.716 -10.591 -21.678 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -8.463 -10.541 -21.798 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.328 -9.788 -25.434 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -9.046 -9.080 -23.983 1.00 0.00 H new ATOM 611 N LYS A 39 -9.330 -6.981 -21.703 1.00 0.00 N ATOM 612 CA LYS A 39 -10.629 -6.455 -21.301 1.00 0.00 C ATOM 613 C LYS A 39 -11.732 -7.479 -21.550 1.00 0.00 C ATOM 614 O LYS A 39 -12.719 -7.533 -20.816 1.00 0.00 O ATOM 615 CB LYS A 39 -10.937 -5.163 -22.061 1.00 0.00 C ATOM 616 CG LYS A 39 -9.800 -4.156 -22.036 1.00 0.00 C ATOM 617 CD LYS A 39 -9.354 -3.854 -20.615 1.00 0.00 C ATOM 618 CE LYS A 39 -8.466 -2.620 -20.559 1.00 0.00 C ATOM 619 NZ LYS A 39 -7.102 -2.894 -21.090 1.00 0.00 N ATOM 0 H LYS A 39 -8.792 -6.359 -22.306 1.00 0.00 H new ATOM 0 HA LYS A 39 -10.591 -6.241 -20.233 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -11.171 -5.408 -23.097 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -11.828 -4.703 -21.633 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.957 -4.543 -22.608 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -10.119 -3.234 -22.522 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -10.229 -3.703 -19.982 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.814 -4.711 -20.212 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -8.925 -1.816 -21.134 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -8.392 -2.273 -19.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -6.528 -2.029 -21.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -6.654 -3.644 -20.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -7.171 -3.201 -22.081 1.00 0.00 H new ATOM 633 N ASP A 40 -11.557 -8.289 -22.587 1.00 0.00 N ATOM 634 CA ASP A 40 -12.536 -9.314 -22.931 1.00 0.00 C ATOM 635 C ASP A 40 -12.669 -10.337 -21.808 1.00 0.00 C ATOM 636 O ASP A 40 -13.710 -10.427 -21.157 1.00 0.00 O ATOM 637 CB ASP A 40 -12.138 -10.014 -24.231 1.00 0.00 C ATOM 638 CG ASP A 40 -11.903 -9.037 -25.367 1.00 0.00 C ATOM 639 OD1 ASP A 40 -12.754 -8.146 -25.567 1.00 0.00 O ATOM 640 OD2 ASP A 40 -10.869 -9.164 -26.055 1.00 0.00 O ATOM 0 H ASP A 40 -10.746 -8.256 -23.205 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.501 -8.827 -23.071 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -11.232 -10.597 -24.064 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -12.921 -10.717 -24.516 1.00 0.00 H new ATOM 645 N TRP A 41 -11.609 -11.106 -21.587 1.00 0.00 N ATOM 646 CA TRP A 41 -11.608 -12.125 -20.543 1.00 0.00 C ATOM 647 C TRP A 41 -10.480 -11.881 -19.546 1.00 0.00 C ATOM 648 O TRP A 41 -9.401 -11.419 -19.917 1.00 0.00 O ATOM 649 CB TRP A 41 -11.468 -13.517 -21.160 1.00 0.00 C ATOM 650 CG TRP A 41 -12.453 -13.781 -22.259 1.00 0.00 C ATOM 651 CD1 TRP A 41 -12.400 -13.306 -23.538 1.00 0.00 C ATOM 652 CD2 TRP A 41 -13.637 -14.582 -22.174 1.00 0.00 C ATOM 653 NE1 TRP A 41 -13.481 -13.763 -24.254 1.00 0.00 N ATOM 654 CE2 TRP A 41 -14.254 -14.548 -23.440 1.00 0.00 C ATOM 655 CE3 TRP A 41 -14.235 -15.325 -21.153 1.00 0.00 C ATOM 656 CZ2 TRP A 41 -15.438 -15.228 -23.709 1.00 0.00 C ATOM 657 CZ3 TRP A 41 -15.411 -16.000 -21.421 1.00 0.00 C ATOM 658 CH2 TRP A 41 -16.002 -15.948 -22.691 1.00 0.00 C ATOM 0 H TRP A 41 -10.739 -11.044 -22.116 1.00 0.00 H new ATOM 0 HA TRP A 41 -12.557 -12.066 -20.011 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -10.457 -13.633 -21.552 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -11.595 -14.267 -20.380 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -11.623 -12.666 -23.929 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -13.676 -13.552 -25.233 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -13.786 -15.371 -20.172 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -15.896 -15.189 -24.687 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -15.882 -16.577 -20.639 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -16.921 -16.487 -22.870 1.00 0.00 H new ATOM 669 N TRP A 42 -10.736 -12.195 -18.281 1.00 0.00 N ATOM 670 CA TRP A 42 -9.741 -12.010 -17.231 1.00 0.00 C ATOM 671 C TRP A 42 -9.437 -13.330 -16.531 1.00 0.00 C ATOM 672 O TRP A 42 -10.324 -14.162 -16.340 1.00 0.00 O ATOM 673 CB TRP A 42 -10.230 -10.979 -16.213 1.00 0.00 C ATOM 674 CG TRP A 42 -10.163 -9.569 -16.717 1.00 0.00 C ATOM 675 CD1 TRP A 42 -9.359 -9.091 -17.712 1.00 0.00 C ATOM 676 CD2 TRP A 42 -10.930 -8.454 -16.247 1.00 0.00 C ATOM 677 NE1 TRP A 42 -9.580 -7.747 -17.890 1.00 0.00 N ATOM 678 CE2 TRP A 42 -10.539 -7.332 -17.004 1.00 0.00 C ATOM 679 CE3 TRP A 42 -11.909 -8.295 -15.264 1.00 0.00 C ATOM 680 CZ2 TRP A 42 -11.094 -6.071 -16.805 1.00 0.00 C ATOM 681 CZ3 TRP A 42 -12.459 -7.043 -15.067 1.00 0.00 C ATOM 682 CH2 TRP A 42 -12.051 -5.944 -15.835 1.00 0.00 C ATOM 0 H TRP A 42 -11.624 -12.579 -17.958 1.00 0.00 H new ATOM 0 HA TRP A 42 -8.824 -11.646 -17.694 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -11.259 -11.210 -15.938 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -9.631 -11.062 -15.306 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -8.653 -9.683 -18.276 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -9.107 -7.154 -18.572 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -12.231 -9.136 -14.668 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -10.780 -5.223 -17.395 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -13.216 -6.909 -14.308 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -12.501 -4.978 -15.658 1.00 0.00 H new ATOM 693 N LYS A 43 -8.178 -13.516 -16.149 1.00 0.00 N ATOM 694 CA LYS A 43 -7.756 -14.734 -15.468 1.00 0.00 C ATOM 695 C LYS A 43 -7.815 -14.559 -13.954 1.00 0.00 C ATOM 696 O LYS A 43 -7.091 -13.742 -13.385 1.00 0.00 O ATOM 697 CB LYS A 43 -6.336 -15.115 -15.893 1.00 0.00 C ATOM 698 CG LYS A 43 -6.018 -16.588 -15.701 1.00 0.00 C ATOM 699 CD LYS A 43 -4.519 -16.838 -15.692 1.00 0.00 C ATOM 700 CE LYS A 43 -4.195 -18.267 -15.284 1.00 0.00 C ATOM 701 NZ LYS A 43 -4.146 -19.181 -16.459 1.00 0.00 N ATOM 0 H LYS A 43 -7.431 -12.838 -16.300 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.440 -15.534 -15.751 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.198 -14.856 -16.943 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.623 -14.521 -15.322 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.451 -16.936 -14.763 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.480 -17.168 -16.500 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.110 -16.640 -16.683 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.037 -16.144 -15.003 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.236 -18.289 -14.767 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.946 -18.622 -14.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.494 -20.121 -16.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.744 -18.801 -17.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.166 -19.260 -16.797 1.00 0.00 H new ATOM 715 N VAL A 44 -8.680 -15.333 -13.307 1.00 0.00 N ATOM 716 CA VAL A 44 -8.831 -15.265 -11.858 1.00 0.00 C ATOM 717 C VAL A 44 -8.418 -16.577 -11.200 1.00 0.00 C ATOM 718 O VAL A 44 -8.235 -17.590 -11.875 1.00 0.00 O ATOM 719 CB VAL A 44 -10.283 -14.939 -11.460 1.00 0.00 C ATOM 720 CG1 VAL A 44 -10.741 -13.649 -12.122 1.00 0.00 C ATOM 721 CG2 VAL A 44 -11.207 -16.092 -11.823 1.00 0.00 C ATOM 0 H VAL A 44 -9.287 -16.014 -13.763 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.178 -14.465 -11.509 1.00 0.00 H new ATOM 0 HB VAL A 44 -10.322 -14.799 -10.380 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -11.769 -13.435 -11.829 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -10.096 -12.829 -11.807 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -10.687 -13.757 -13.205 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -12.229 -15.844 -11.535 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -11.166 -16.267 -12.898 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -10.890 -16.992 -11.297 1.00 0.00 H new ATOM 731 N GLU A 45 -8.275 -16.551 -9.879 1.00 0.00 N ATOM 732 CA GLU A 45 -7.883 -17.740 -9.130 1.00 0.00 C ATOM 733 C GLU A 45 -8.915 -18.070 -8.056 1.00 0.00 C ATOM 734 O GLU A 45 -9.334 -17.200 -7.293 1.00 0.00 O ATOM 735 CB GLU A 45 -6.509 -17.535 -8.488 1.00 0.00 C ATOM 736 CG GLU A 45 -5.813 -18.833 -8.114 1.00 0.00 C ATOM 737 CD GLU A 45 -4.377 -18.619 -7.675 1.00 0.00 C ATOM 738 OE1 GLU A 45 -3.503 -18.472 -8.554 1.00 0.00 O ATOM 739 OE2 GLU A 45 -4.129 -18.598 -6.451 1.00 0.00 O ATOM 0 H GLU A 45 -8.424 -15.721 -9.305 1.00 0.00 H new ATOM 0 HA GLU A 45 -7.829 -18.577 -9.827 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -5.875 -16.978 -9.177 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.623 -16.923 -7.594 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.366 -19.319 -7.310 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.831 -19.510 -8.968 1.00 0.00 H new ATOM 746 N VAL A 46 -9.321 -19.335 -8.003 1.00 0.00 N ATOM 747 CA VAL A 46 -10.303 -19.782 -7.022 1.00 0.00 C ATOM 748 C VAL A 46 -9.702 -20.812 -6.073 1.00 0.00 C ATOM 749 O VAL A 46 -8.539 -21.195 -6.209 1.00 0.00 O ATOM 750 CB VAL A 46 -11.541 -20.391 -7.706 1.00 0.00 C ATOM 751 CG1 VAL A 46 -12.144 -19.406 -8.695 1.00 0.00 C ATOM 752 CG2 VAL A 46 -11.180 -21.698 -8.396 1.00 0.00 C ATOM 0 H VAL A 46 -8.985 -20.068 -8.628 1.00 0.00 H new ATOM 0 HA VAL A 46 -10.606 -18.903 -6.454 1.00 0.00 H new ATOM 0 HB VAL A 46 -12.288 -20.604 -6.941 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -13.018 -19.854 -9.168 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -12.442 -18.499 -8.169 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -11.406 -19.158 -9.457 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -12.067 -22.114 -8.874 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -10.415 -21.512 -9.150 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -10.799 -22.405 -7.659 1.00 0.00 H new ATOM 940 N GLN A 58 -6.190 -21.847 -10.808 1.00 0.00 N ATOM 941 CA GLN A 58 -6.385 -20.698 -11.684 1.00 0.00 C ATOM 942 C GLN A 58 -7.351 -21.033 -12.815 1.00 0.00 C ATOM 943 O GLN A 58 -7.528 -22.198 -13.169 1.00 0.00 O ATOM 944 CB GLN A 58 -5.046 -20.236 -12.261 1.00 0.00 C ATOM 945 CG GLN A 58 -3.932 -20.164 -11.229 1.00 0.00 C ATOM 946 CD GLN A 58 -3.220 -21.490 -11.047 1.00 0.00 C ATOM 947 OE1 GLN A 58 -3.609 -22.503 -11.629 1.00 0.00 O ATOM 948 NE2 GLN A 58 -2.169 -21.492 -10.234 1.00 0.00 N ATOM 0 HA GLN A 58 -6.815 -19.891 -11.091 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -4.748 -20.918 -13.058 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -5.175 -19.253 -12.714 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -3.209 -19.406 -11.532 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -4.347 -19.844 -10.273 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -1.880 -20.630 -9.772 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.651 -22.356 -10.072 1.00 0.00 H new ATOM 957 N GLY A 59 -7.974 -20.003 -13.380 1.00 0.00 N ATOM 958 CA GLY A 59 -8.915 -20.210 -14.466 1.00 0.00 C ATOM 959 C GLY A 59 -9.364 -18.908 -15.100 1.00 0.00 C ATOM 960 O GLY A 59 -9.474 -17.885 -14.423 1.00 0.00 O ATOM 0 H GLY A 59 -7.844 -19.029 -13.105 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.455 -20.841 -15.226 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -9.786 -20.747 -14.091 1.00 0.00 H new ATOM 964 N PHE A 60 -9.621 -18.945 -16.403 1.00 0.00 N ATOM 965 CA PHE A 60 -10.058 -17.758 -17.129 1.00 0.00 C ATOM 966 C PHE A 60 -11.562 -17.551 -16.980 1.00 0.00 C ATOM 967 O PHE A 60 -12.310 -18.499 -16.739 1.00 0.00 O ATOM 968 CB PHE A 60 -9.693 -17.878 -18.611 1.00 0.00 C ATOM 969 CG PHE A 60 -8.262 -17.531 -18.906 1.00 0.00 C ATOM 970 CD1 PHE A 60 -7.891 -16.219 -19.155 1.00 0.00 C ATOM 971 CD2 PHE A 60 -7.288 -18.516 -18.935 1.00 0.00 C ATOM 972 CE1 PHE A 60 -6.575 -15.896 -19.426 1.00 0.00 C ATOM 973 CE2 PHE A 60 -5.970 -18.198 -19.205 1.00 0.00 C ATOM 974 CZ PHE A 60 -5.613 -16.887 -19.453 1.00 0.00 C ATOM 0 H PHE A 60 -9.534 -19.783 -16.978 1.00 0.00 H new ATOM 0 HA PHE A 60 -9.547 -16.894 -16.704 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -9.887 -18.898 -18.943 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -10.344 -17.224 -19.191 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -8.639 -15.440 -19.137 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -7.561 -19.543 -18.745 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -6.299 -14.869 -19.617 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -5.220 -18.975 -19.222 1.00 0.00 H new ATOM 0 HZ PHE A 60 -4.584 -16.637 -19.667 1.00 0.00 H new ATOM 984 N VAL A 61 -11.999 -16.304 -17.123 1.00 0.00 N ATOM 985 CA VAL A 61 -13.414 -15.971 -17.004 1.00 0.00 C ATOM 986 C VAL A 61 -13.744 -14.695 -17.770 1.00 0.00 C ATOM 987 O VAL A 61 -12.881 -13.858 -18.033 1.00 0.00 O ATOM 988 CB VAL A 61 -13.827 -15.794 -15.531 1.00 0.00 C ATOM 989 CG1 VAL A 61 -14.059 -17.146 -14.875 1.00 0.00 C ATOM 990 CG2 VAL A 61 -12.773 -14.999 -14.774 1.00 0.00 C ATOM 0 H VAL A 61 -11.394 -15.507 -17.321 1.00 0.00 H new ATOM 0 HA VAL A 61 -13.972 -16.803 -17.432 1.00 0.00 H new ATOM 0 HB VAL A 61 -14.763 -15.236 -15.499 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -14.350 -17.001 -13.835 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -14.852 -17.675 -15.403 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -13.141 -17.733 -14.916 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -13.081 -14.883 -13.735 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -11.821 -15.528 -14.813 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -12.661 -14.016 -15.231 1.00 0.00 H new ATOM 1000 N PRO A 62 -15.025 -14.541 -18.138 1.00 0.00 N ATOM 1001 CA PRO A 62 -15.500 -13.369 -18.879 1.00 0.00 C ATOM 1002 C PRO A 62 -15.489 -12.102 -18.029 1.00 0.00 C ATOM 1003 O PRO A 62 -16.113 -12.049 -16.970 1.00 0.00 O ATOM 1004 CB PRO A 62 -16.934 -13.746 -19.258 1.00 0.00 C ATOM 1005 CG PRO A 62 -17.351 -14.736 -18.226 1.00 0.00 C ATOM 1006 CD PRO A 62 -16.108 -15.499 -17.859 1.00 0.00 C ATOM 0 HA PRO A 62 -14.864 -13.143 -19.735 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -17.587 -12.873 -19.256 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -16.979 -14.175 -20.259 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -17.774 -14.237 -17.354 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -18.119 -15.405 -18.614 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -16.117 -15.802 -16.812 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -16.004 -16.407 -18.453 1.00 0.00 H new ATOM 1014 N ALA A 63 -14.776 -11.085 -18.501 1.00 0.00 N ATOM 1015 CA ALA A 63 -14.686 -9.818 -17.785 1.00 0.00 C ATOM 1016 C ALA A 63 -16.041 -9.121 -17.733 1.00 0.00 C ATOM 1017 O ALA A 63 -16.231 -8.170 -16.975 1.00 0.00 O ATOM 1018 CB ALA A 63 -13.650 -8.915 -18.439 1.00 0.00 C ATOM 0 H ALA A 63 -14.252 -11.113 -19.376 1.00 0.00 H new ATOM 0 HA ALA A 63 -14.375 -10.028 -16.762 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -13.593 -7.973 -17.894 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.676 -9.405 -18.420 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -13.938 -8.720 -19.472 1.00 0.00 H new ATOM 1024 N ALA A 64 -16.980 -9.598 -18.543 1.00 0.00 N ATOM 1025 CA ALA A 64 -18.317 -9.021 -18.587 1.00 0.00 C ATOM 1026 C ALA A 64 -19.167 -9.514 -17.421 1.00 0.00 C ATOM 1027 O ALA A 64 -20.257 -8.998 -17.173 1.00 0.00 O ATOM 1028 CB ALA A 64 -18.991 -9.352 -19.911 1.00 0.00 C ATOM 0 H ALA A 64 -16.839 -10.383 -19.178 1.00 0.00 H new ATOM 0 HA ALA A 64 -18.222 -7.939 -18.500 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -19.989 -8.915 -19.930 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -18.400 -8.945 -20.732 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -19.067 -10.434 -20.020 1.00 0.00 H new ATOM 1034 N TYR A 65 -18.662 -10.515 -16.709 1.00 0.00 N ATOM 1035 CA TYR A 65 -19.376 -11.080 -15.571 1.00 0.00 C ATOM 1036 C TYR A 65 -18.538 -10.984 -14.299 1.00 0.00 C ATOM 1037 O TYR A 65 -18.584 -11.867 -13.443 1.00 0.00 O ATOM 1038 CB TYR A 65 -19.742 -12.540 -15.845 1.00 0.00 C ATOM 1039 CG TYR A 65 -20.851 -12.706 -16.859 1.00 0.00 C ATOM 1040 CD1 TYR A 65 -21.985 -11.905 -16.816 1.00 0.00 C ATOM 1041 CD2 TYR A 65 -20.763 -13.663 -17.863 1.00 0.00 C ATOM 1042 CE1 TYR A 65 -23.001 -12.054 -17.741 1.00 0.00 C ATOM 1043 CE2 TYR A 65 -21.772 -13.818 -18.793 1.00 0.00 C ATOM 1044 CZ TYR A 65 -22.889 -13.012 -18.727 1.00 0.00 C ATOM 1045 OH TYR A 65 -23.898 -13.162 -19.651 1.00 0.00 O ATOM 0 H TYR A 65 -17.760 -10.952 -16.900 1.00 0.00 H new ATOM 0 HA TYR A 65 -20.290 -10.504 -15.426 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -18.856 -13.068 -16.198 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -20.043 -13.012 -14.910 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -22.074 -11.153 -16.046 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -19.890 -14.297 -17.917 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -23.877 -11.424 -17.692 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -21.687 -14.566 -19.567 1.00 0.00 H new ATOM 0 HH TYR A 65 -23.664 -13.878 -20.278 1.00 0.00 H new ATOM 1055 N VAL A 66 -17.772 -9.904 -14.184 1.00 0.00 N ATOM 1056 CA VAL A 66 -16.924 -9.690 -13.017 1.00 0.00 C ATOM 1057 C VAL A 66 -16.812 -8.206 -12.684 1.00 0.00 C ATOM 1058 O VAL A 66 -17.080 -7.348 -13.525 1.00 0.00 O ATOM 1059 CB VAL A 66 -15.511 -10.264 -13.237 1.00 0.00 C ATOM 1060 CG1 VAL A 66 -15.586 -11.730 -13.636 1.00 0.00 C ATOM 1061 CG2 VAL A 66 -14.766 -9.454 -14.288 1.00 0.00 C ATOM 0 H VAL A 66 -17.721 -9.164 -14.884 1.00 0.00 H new ATOM 0 HA VAL A 66 -17.394 -10.212 -12.184 1.00 0.00 H new ATOM 0 HB VAL A 66 -14.959 -10.196 -12.299 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -14.579 -12.118 -13.787 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -16.079 -12.297 -12.846 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -16.154 -11.827 -14.561 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -13.770 -9.873 -14.431 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -15.313 -9.489 -15.230 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -14.680 -8.419 -13.957 1.00 0.00 H new ATOM 1071 N LYS A 67 -16.413 -7.911 -11.452 1.00 0.00 N ATOM 1072 CA LYS A 67 -16.263 -6.531 -11.006 1.00 0.00 C ATOM 1073 C LYS A 67 -15.219 -6.427 -9.898 1.00 0.00 C ATOM 1074 O LYS A 67 -15.413 -6.945 -8.799 1.00 0.00 O ATOM 1075 CB LYS A 67 -17.604 -5.984 -10.511 1.00 0.00 C ATOM 1076 CG LYS A 67 -17.743 -4.480 -10.668 1.00 0.00 C ATOM 1077 CD LYS A 67 -16.854 -3.732 -9.688 1.00 0.00 C ATOM 1078 CE LYS A 67 -17.234 -2.262 -9.601 1.00 0.00 C ATOM 1079 NZ LYS A 67 -16.407 -1.534 -8.598 1.00 0.00 N ATOM 0 H LYS A 67 -16.187 -8.610 -10.744 1.00 0.00 H new ATOM 0 HA LYS A 67 -15.926 -5.936 -11.855 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -18.410 -6.474 -11.057 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -17.727 -6.244 -9.460 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -17.483 -4.194 -11.687 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -18.782 -4.191 -10.511 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -16.934 -4.188 -8.701 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -15.813 -3.822 -9.998 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -17.112 -1.797 -10.579 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -18.288 -2.174 -9.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -17.001 -1.265 -7.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -15.635 -2.150 -8.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -16.007 -0.679 -9.033 1.00 0.00 H new ATOM 1093 N LYS A 68 -14.113 -5.753 -10.195 1.00 0.00 N ATOM 1094 CA LYS A 68 -13.040 -5.579 -9.224 1.00 0.00 C ATOM 1095 C LYS A 68 -13.556 -4.903 -7.957 1.00 0.00 C ATOM 1096 O LYS A 68 -14.383 -3.993 -8.020 1.00 0.00 O ATOM 1097 CB LYS A 68 -11.905 -4.749 -9.830 1.00 0.00 C ATOM 1098 CG LYS A 68 -10.663 -4.688 -8.958 1.00 0.00 C ATOM 1099 CD LYS A 68 -9.931 -3.367 -9.122 1.00 0.00 C ATOM 1100 CE LYS A 68 -9.465 -3.162 -10.555 1.00 0.00 C ATOM 1101 NZ LYS A 68 -8.681 -1.905 -10.709 1.00 0.00 N ATOM 0 H LYS A 68 -13.937 -5.318 -11.101 1.00 0.00 H new ATOM 0 HA LYS A 68 -12.660 -6.566 -8.960 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -11.637 -5.168 -10.800 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -12.263 -3.735 -10.009 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -10.944 -4.822 -7.913 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -9.995 -5.510 -9.217 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -10.588 -2.547 -8.831 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -9.072 -3.340 -8.452 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -8.855 -4.011 -10.863 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -10.330 -3.134 -11.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.382 -1.802 -11.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -9.271 -1.092 -10.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -7.842 -1.942 -10.096 1.00 0.00 H new ATOM 1115 N LEU A 69 -13.063 -5.354 -6.809 1.00 0.00 N ATOM 1116 CA LEU A 69 -13.474 -4.792 -5.527 1.00 0.00 C ATOM 1117 C LEU A 69 -12.485 -3.729 -5.057 1.00 0.00 C ATOM 1118 O LEU A 69 -12.804 -2.540 -5.028 1.00 0.00 O ATOM 1119 CB LEU A 69 -13.589 -5.898 -4.477 1.00 0.00 C ATOM 1120 CG LEU A 69 -14.626 -6.986 -4.759 1.00 0.00 C ATOM 1121 CD1 LEU A 69 -14.174 -8.317 -4.178 1.00 0.00 C ATOM 1122 CD2 LEU A 69 -15.983 -6.589 -4.196 1.00 0.00 C ATOM 0 H LEU A 69 -12.378 -6.107 -6.739 1.00 0.00 H new ATOM 0 HA LEU A 69 -14.449 -4.322 -5.659 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.614 -6.373 -4.370 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -13.826 -5.438 -3.518 1.00 0.00 H new ATOM 0 HG LEU A 69 -14.722 -7.098 -5.839 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -14.924 -9.079 -4.388 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -13.225 -8.607 -4.629 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -14.048 -8.219 -3.100 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -16.708 -7.375 -4.406 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -15.903 -6.448 -3.118 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -16.311 -5.659 -4.660 1.00 0.00 H new ATOM 1134 N ASP A 70 -11.285 -4.166 -4.691 1.00 0.00 N ATOM 1135 CA ASP A 70 -10.248 -3.252 -4.226 1.00 0.00 C ATOM 1136 C ASP A 70 -9.586 -2.538 -5.400 1.00 0.00 C ATOM 1137 O ASP A 70 -8.984 -1.476 -5.233 1.00 0.00 O ATOM 1138 CB ASP A 70 -9.196 -4.011 -3.415 1.00 0.00 C ATOM 1139 CG ASP A 70 -8.459 -5.042 -4.246 1.00 0.00 C ATOM 1140 OD1 ASP A 70 -7.568 -4.649 -5.028 1.00 0.00 O ATOM 1141 OD2 ASP A 70 -8.772 -6.244 -4.113 1.00 0.00 O ATOM 0 H ASP A 70 -11.006 -5.147 -4.707 1.00 0.00 H new ATOM 0 HA ASP A 70 -10.717 -2.504 -3.588 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -8.479 -3.302 -3.001 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -9.678 -4.505 -2.572 1.00 0.00 H new