USER MOD reduce.3.24.130724 H: found=0, std=0, add=443, rem=0, adj=14 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= 0.276 F(o=-1.7!,f=0.28) USER MOD Set 1.2: A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 165:sc= -0.0209 USER MOD Single : A 16 GLN : amide:sc= -0.123 K(o=-0.12,f=-2!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.156 USER MOD Single : A 25 MET CE :methyl 173:sc= -3.55 (180deg=-3.72!) USER MOD Single : A 26 LYS NZ :NH3+ -150:sc= -0.429 (180deg=-1.59!) 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 -110:sc= -3.79! USER MOD Single : A 38 ASN : amide:sc= -0.102 X(o=-0.1,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -148:sc= 0.328 (180deg=-0.037) USER MOD Single : A 58 GLN : amide:sc= -0.276 X(o=-0.28,f=-0.18) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0113) USER MOD Single : A 68 LYS NZ :NH3+ -122:sc= -0.0272 (180deg=-1.03) USER MOD ----------------------------------------------------------------- ATOM 88 N GLU A 7 -5.103 -9.172 -6.781 1.00 0.00 N ATOM 89 CA GLU A 7 -6.243 -8.511 -6.157 1.00 0.00 C ATOM 90 C GLU A 7 -7.440 -9.453 -6.075 1.00 0.00 C ATOM 91 O GLU A 7 -7.365 -10.609 -6.493 1.00 0.00 O ATOM 92 CB GLU A 7 -6.622 -7.253 -6.941 1.00 0.00 C ATOM 93 CG GLU A 7 -5.784 -6.037 -6.585 1.00 0.00 C ATOM 94 CD GLU A 7 -5.962 -4.897 -7.568 1.00 0.00 C ATOM 95 OE1 GLU A 7 -6.189 -5.176 -8.764 1.00 0.00 O ATOM 96 OE2 GLU A 7 -5.873 -3.726 -7.143 1.00 0.00 O ATOM 0 HA GLU A 7 -5.957 -8.227 -5.144 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -6.519 -7.455 -8.007 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.672 -7.025 -6.760 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -6.053 -5.695 -5.586 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -4.733 -6.322 -6.552 1.00 0.00 H new ATOM 103 N LEU A 8 -8.544 -8.951 -5.533 1.00 0.00 N ATOM 104 CA LEU A 8 -9.759 -9.746 -5.395 1.00 0.00 C ATOM 105 C LEU A 8 -10.910 -9.125 -6.181 1.00 0.00 C ATOM 106 O LEU A 8 -11.090 -7.907 -6.179 1.00 0.00 O ATOM 107 CB LEU A 8 -10.144 -9.874 -3.920 1.00 0.00 C ATOM 108 CG LEU A 8 -9.472 -11.009 -3.147 1.00 0.00 C ATOM 109 CD1 LEU A 8 -9.982 -12.358 -3.629 1.00 0.00 C ATOM 110 CD2 LEU A 8 -7.959 -10.928 -3.288 1.00 0.00 C ATOM 0 H LEU A 8 -8.623 -7.997 -5.182 1.00 0.00 H new ATOM 0 HA LEU A 8 -9.561 -10.738 -5.800 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -9.910 -8.933 -3.421 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -11.224 -10.008 -3.857 1.00 0.00 H new ATOM 0 HG LEU A 8 -9.725 -10.903 -2.092 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -9.493 -13.154 -3.068 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -11.060 -12.416 -3.476 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -9.760 -12.473 -4.690 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.498 -11.744 -2.731 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -7.687 -11.007 -4.340 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -7.607 -9.975 -2.893 1.00 0.00 H new ATOM 122 N VAL A 9 -11.687 -9.970 -6.850 1.00 0.00 N ATOM 123 CA VAL A 9 -12.823 -9.505 -7.637 1.00 0.00 C ATOM 124 C VAL A 9 -14.083 -10.295 -7.304 1.00 0.00 C ATOM 125 O VAL A 9 -14.028 -11.502 -7.064 1.00 0.00 O ATOM 126 CB VAL A 9 -12.543 -9.618 -9.147 1.00 0.00 C ATOM 127 CG1 VAL A 9 -11.391 -8.709 -9.547 1.00 0.00 C ATOM 128 CG2 VAL A 9 -12.251 -11.062 -9.527 1.00 0.00 C ATOM 0 H VAL A 9 -11.551 -10.981 -6.863 1.00 0.00 H new ATOM 0 HA VAL A 9 -12.977 -8.457 -7.381 1.00 0.00 H new ATOM 0 HB VAL A 9 -13.432 -9.296 -9.689 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -11.208 -8.803 -10.617 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -11.644 -7.675 -9.311 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.494 -8.996 -8.999 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -12.055 -11.124 -10.597 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -11.378 -11.413 -8.978 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -13.111 -11.685 -9.279 1.00 0.00 H new ATOM 138 N LEU A 10 -15.220 -9.608 -7.291 1.00 0.00 N ATOM 139 CA LEU A 10 -16.497 -10.245 -6.988 1.00 0.00 C ATOM 140 C LEU A 10 -17.221 -10.648 -8.268 1.00 0.00 C ATOM 141 O LEU A 10 -17.199 -9.921 -9.261 1.00 0.00 O ATOM 142 CB LEU A 10 -17.377 -9.303 -6.165 1.00 0.00 C ATOM 143 CG LEU A 10 -18.393 -9.972 -5.238 1.00 0.00 C ATOM 144 CD1 LEU A 10 -18.702 -9.076 -4.049 1.00 0.00 C ATOM 145 CD2 LEU A 10 -19.667 -10.310 -5.999 1.00 0.00 C ATOM 0 H LEU A 10 -15.284 -8.609 -7.487 1.00 0.00 H new ATOM 0 HA LEU A 10 -16.297 -11.145 -6.407 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -16.729 -8.667 -5.562 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -17.916 -8.650 -6.851 1.00 0.00 H new ATOM 0 HG LEU A 10 -17.960 -10.900 -4.864 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -19.427 -9.569 -3.401 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -17.786 -8.885 -3.490 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -19.115 -8.131 -4.403 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -20.379 -10.785 -5.324 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -20.104 -9.396 -6.402 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -19.432 -10.991 -6.817 1.00 0.00 H new ATOM 157 N ALA A 11 -17.864 -11.811 -8.237 1.00 0.00 N ATOM 158 CA ALA A 11 -18.599 -12.309 -9.393 1.00 0.00 C ATOM 159 C ALA A 11 -19.982 -11.671 -9.481 1.00 0.00 C ATOM 160 O ALA A 11 -20.883 -12.009 -8.713 1.00 0.00 O ATOM 161 CB ALA A 11 -18.719 -13.824 -9.330 1.00 0.00 C ATOM 0 H ALA A 11 -17.891 -12.426 -7.424 1.00 0.00 H new ATOM 0 HA ALA A 11 -18.043 -12.036 -10.290 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -19.270 -14.182 -10.200 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -17.723 -14.268 -9.324 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -19.249 -14.110 -8.422 1.00 0.00 H new ATOM 167 N LEU A 12 -20.142 -10.746 -10.421 1.00 0.00 N ATOM 168 CA LEU A 12 -21.415 -10.059 -10.609 1.00 0.00 C ATOM 169 C LEU A 12 -22.536 -11.056 -10.888 1.00 0.00 C ATOM 170 O LEU A 12 -23.518 -11.125 -10.149 1.00 0.00 O ATOM 171 CB LEU A 12 -21.311 -9.056 -11.759 1.00 0.00 C ATOM 172 CG LEU A 12 -20.281 -7.940 -11.585 1.00 0.00 C ATOM 173 CD1 LEU A 12 -19.842 -7.403 -12.938 1.00 0.00 C ATOM 174 CD2 LEU A 12 -20.846 -6.821 -10.723 1.00 0.00 C ATOM 0 H LEU A 12 -19.406 -10.455 -11.065 1.00 0.00 H new ATOM 0 HA LEU A 12 -21.650 -9.524 -9.689 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -21.074 -9.603 -12.671 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -22.290 -8.600 -11.906 1.00 0.00 H new ATOM 0 HG LEU A 12 -19.408 -8.354 -11.081 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -19.109 -6.609 -12.794 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -19.395 -8.208 -13.522 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -20.707 -7.006 -13.470 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -20.099 -6.036 -10.610 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -21.736 -6.409 -11.199 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -21.109 -7.215 -9.741 1.00 0.00 H new ATOM 186 N TYR A 13 -22.381 -11.827 -11.958 1.00 0.00 N ATOM 187 CA TYR A 13 -23.379 -12.821 -12.335 1.00 0.00 C ATOM 188 C TYR A 13 -22.774 -14.221 -12.353 1.00 0.00 C ATOM 189 O TYR A 13 -21.597 -14.405 -12.045 1.00 0.00 O ATOM 190 CB TYR A 13 -23.966 -12.489 -13.708 1.00 0.00 C ATOM 191 CG TYR A 13 -24.335 -11.032 -13.873 1.00 0.00 C ATOM 192 CD1 TYR A 13 -25.384 -10.476 -13.151 1.00 0.00 C ATOM 193 CD2 TYR A 13 -23.637 -10.212 -14.750 1.00 0.00 C ATOM 194 CE1 TYR A 13 -25.726 -9.145 -13.298 1.00 0.00 C ATOM 195 CE2 TYR A 13 -23.971 -8.881 -14.903 1.00 0.00 C ATOM 196 CZ TYR A 13 -25.016 -8.352 -14.175 1.00 0.00 C ATOM 197 OH TYR A 13 -25.353 -7.026 -14.326 1.00 0.00 O ATOM 0 H TYR A 13 -21.574 -11.783 -12.580 1.00 0.00 H new ATOM 0 HA TYR A 13 -24.176 -12.799 -11.591 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -23.244 -12.762 -14.478 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -24.853 -13.101 -13.872 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -25.942 -11.094 -12.463 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -22.818 -10.623 -15.322 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -26.544 -8.728 -12.730 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -23.417 -8.258 -15.589 1.00 0.00 H new ATOM 0 HH TYR A 13 -24.754 -6.609 -14.980 1.00 0.00 H new ATOM 207 N ASP A 14 -23.589 -15.206 -12.717 1.00 0.00 N ATOM 208 CA ASP A 14 -23.136 -16.590 -12.777 1.00 0.00 C ATOM 209 C ASP A 14 -22.666 -16.947 -14.184 1.00 0.00 C ATOM 210 O ASP A 14 -23.150 -16.392 -15.171 1.00 0.00 O ATOM 211 CB ASP A 14 -24.258 -17.536 -12.346 1.00 0.00 C ATOM 212 CG ASP A 14 -24.062 -18.945 -12.870 1.00 0.00 C ATOM 213 OD1 ASP A 14 -24.354 -19.181 -14.061 1.00 0.00 O ATOM 214 OD2 ASP A 14 -23.614 -19.811 -12.090 1.00 0.00 O ATOM 0 H ASP A 14 -24.567 -15.071 -12.975 1.00 0.00 H new ATOM 0 HA ASP A 14 -22.295 -16.701 -12.093 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -24.310 -17.561 -11.258 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -25.213 -17.149 -12.702 1.00 0.00 H new ATOM 219 N TYR A 15 -21.720 -17.875 -14.269 1.00 0.00 N ATOM 220 CA TYR A 15 -21.182 -18.304 -15.554 1.00 0.00 C ATOM 221 C TYR A 15 -20.840 -19.790 -15.534 1.00 0.00 C ATOM 222 O TYR A 15 -20.943 -20.447 -14.498 1.00 0.00 O ATOM 223 CB TYR A 15 -19.937 -17.488 -15.907 1.00 0.00 C ATOM 224 CG TYR A 15 -19.752 -17.277 -17.393 1.00 0.00 C ATOM 225 CD1 TYR A 15 -20.683 -16.559 -18.134 1.00 0.00 C ATOM 226 CD2 TYR A 15 -18.647 -17.796 -18.056 1.00 0.00 C ATOM 227 CE1 TYR A 15 -20.518 -16.365 -19.492 1.00 0.00 C ATOM 228 CE2 TYR A 15 -18.473 -17.605 -19.413 1.00 0.00 C ATOM 229 CZ TYR A 15 -19.412 -16.890 -20.127 1.00 0.00 C ATOM 230 OH TYR A 15 -19.244 -16.697 -21.479 1.00 0.00 O ATOM 0 H TYR A 15 -21.309 -18.345 -13.462 1.00 0.00 H new ATOM 0 HA TYR A 15 -21.946 -18.136 -16.313 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -19.998 -16.517 -15.416 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -19.057 -17.993 -15.508 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -21.550 -16.146 -17.640 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -17.911 -18.359 -17.501 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -21.251 -15.805 -20.053 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -17.607 -18.013 -19.912 1.00 0.00 H new ATOM 0 HH TYR A 15 -18.321 -16.912 -21.728 1.00 0.00 H new ATOM 240 N GLN A 16 -20.432 -20.313 -16.686 1.00 0.00 N ATOM 241 CA GLN A 16 -20.074 -21.722 -16.801 1.00 0.00 C ATOM 242 C GLN A 16 -18.795 -21.894 -17.613 1.00 0.00 C ATOM 243 O GLN A 16 -18.373 -20.983 -18.324 1.00 0.00 O ATOM 244 CB GLN A 16 -21.215 -22.508 -17.450 1.00 0.00 C ATOM 245 CG GLN A 16 -21.167 -24.000 -17.161 1.00 0.00 C ATOM 246 CD GLN A 16 -22.526 -24.661 -17.282 1.00 0.00 C ATOM 247 OE1 GLN A 16 -23.536 -23.993 -17.505 1.00 0.00 O ATOM 248 NE2 GLN A 16 -22.557 -25.980 -17.136 1.00 0.00 N ATOM 0 H GLN A 16 -20.341 -19.782 -17.552 1.00 0.00 H new ATOM 0 HA GLN A 16 -19.900 -22.110 -15.798 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -22.166 -22.109 -17.098 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -21.184 -22.354 -18.529 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -20.472 -24.478 -17.851 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -20.778 -24.159 -16.155 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -21.695 -26.493 -16.952 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -23.443 -26.480 -17.208 1.00 0.00 H new ATOM 257 N GLU A 17 -18.182 -23.069 -17.501 1.00 0.00 N ATOM 258 CA GLU A 17 -16.950 -23.359 -18.224 1.00 0.00 C ATOM 259 C GLU A 17 -17.216 -23.491 -19.721 1.00 0.00 C ATOM 260 O GLU A 17 -17.345 -24.598 -20.245 1.00 0.00 O ATOM 261 CB GLU A 17 -16.311 -24.644 -17.693 1.00 0.00 C ATOM 262 CG GLU A 17 -15.276 -24.405 -16.607 1.00 0.00 C ATOM 263 CD GLU A 17 -14.153 -25.425 -16.637 1.00 0.00 C ATOM 264 OE1 GLU A 17 -14.279 -26.423 -17.377 1.00 0.00 O ATOM 265 OE2 GLU A 17 -13.151 -25.225 -15.920 1.00 0.00 O ATOM 0 H GLU A 17 -18.519 -23.834 -16.917 1.00 0.00 H new ATOM 0 HA GLU A 17 -16.262 -22.528 -18.067 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -17.093 -25.294 -17.301 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -15.841 -25.175 -18.521 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -14.857 -23.405 -16.723 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -15.763 -24.435 -15.633 1.00 0.00 H new ATOM 272 N LYS A 18 -17.298 -22.355 -20.404 1.00 0.00 N ATOM 273 CA LYS A 18 -17.548 -22.341 -21.840 1.00 0.00 C ATOM 274 C LYS A 18 -16.348 -22.888 -22.607 1.00 0.00 C ATOM 275 O LYS A 18 -16.473 -23.308 -23.757 1.00 0.00 O ATOM 276 CB LYS A 18 -17.862 -20.919 -22.311 1.00 0.00 C ATOM 277 CG LYS A 18 -19.032 -20.282 -21.582 1.00 0.00 C ATOM 278 CD LYS A 18 -20.361 -20.698 -22.191 1.00 0.00 C ATOM 279 CE LYS A 18 -20.896 -21.968 -21.546 1.00 0.00 C ATOM 280 NZ LYS A 18 -22.381 -22.044 -21.621 1.00 0.00 N ATOM 0 H LYS A 18 -17.195 -21.431 -19.986 1.00 0.00 H new ATOM 0 HA LYS A 18 -18.407 -22.981 -22.039 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -16.978 -20.297 -22.175 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -18.077 -20.938 -23.379 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -19.007 -20.569 -20.531 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -18.938 -19.197 -21.619 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -21.086 -19.893 -22.069 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -20.238 -20.857 -23.262 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -20.462 -22.837 -22.041 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -20.583 -22.005 -20.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -22.707 -22.923 -21.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -22.796 -21.228 -21.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -22.679 -22.034 -22.617 1.00 0.00 H new ATOM 294 N SER A 19 -15.186 -22.880 -21.962 1.00 0.00 N ATOM 295 CA SER A 19 -13.963 -23.373 -22.584 1.00 0.00 C ATOM 296 C SER A 19 -13.149 -24.205 -21.597 1.00 0.00 C ATOM 297 O SER A 19 -13.330 -24.126 -20.382 1.00 0.00 O ATOM 298 CB SER A 19 -13.121 -22.205 -23.100 1.00 0.00 C ATOM 299 OG SER A 19 -13.390 -21.947 -24.467 1.00 0.00 O ATOM 0 H SER A 19 -15.066 -22.537 -21.009 1.00 0.00 H new ATOM 0 HA SER A 19 -14.243 -24.008 -23.424 1.00 0.00 H new ATOM 0 HB2 SER A 19 -13.331 -21.313 -22.510 1.00 0.00 H new ATOM 0 HB3 SER A 19 -12.062 -22.431 -22.971 1.00 0.00 H new ATOM 0 HG SER A 19 -12.841 -21.195 -24.772 1.00 0.00 H new ATOM 305 N PRO A 20 -12.229 -25.022 -22.131 1.00 0.00 N ATOM 306 CA PRO A 20 -11.368 -25.885 -21.317 1.00 0.00 C ATOM 307 C PRO A 20 -10.340 -25.090 -20.519 1.00 0.00 C ATOM 308 O PRO A 20 -9.711 -25.616 -19.600 1.00 0.00 O ATOM 309 CB PRO A 20 -10.671 -26.771 -22.352 1.00 0.00 C ATOM 310 CG PRO A 20 -10.688 -25.970 -23.608 1.00 0.00 C ATOM 311 CD PRO A 20 -11.959 -25.168 -23.572 1.00 0.00 C ATOM 0 HA PRO A 20 -11.937 -26.443 -20.573 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -9.652 -27.009 -22.048 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -11.195 -27.718 -22.479 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -9.817 -25.318 -23.666 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.660 -26.618 -24.484 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -11.837 -24.200 -24.058 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -12.773 -25.682 -24.083 1.00 0.00 H new ATOM 319 N ARG A 21 -10.174 -23.820 -20.875 1.00 0.00 N ATOM 320 CA ARG A 21 -9.222 -22.953 -20.192 1.00 0.00 C ATOM 321 C ARG A 21 -9.935 -22.030 -19.208 1.00 0.00 C ATOM 322 O ARG A 21 -9.308 -21.449 -18.323 1.00 0.00 O ATOM 323 CB ARG A 21 -8.436 -22.123 -21.209 1.00 0.00 C ATOM 324 CG ARG A 21 -7.189 -22.818 -21.729 1.00 0.00 C ATOM 325 CD ARG A 21 -6.825 -22.338 -23.125 1.00 0.00 C ATOM 326 NE ARG A 21 -5.531 -21.661 -23.151 1.00 0.00 N ATOM 327 CZ ARG A 21 -5.354 -20.399 -22.774 1.00 0.00 C ATOM 328 NH1 ARG A 21 -6.382 -19.682 -22.344 1.00 0.00 N ATOM 329 NH2 ARG A 21 -4.145 -19.854 -22.826 1.00 0.00 N ATOM 0 H ARG A 21 -10.687 -23.369 -21.633 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.530 -23.584 -19.634 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -9.086 -21.884 -22.051 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -8.149 -21.177 -20.749 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -6.357 -22.631 -21.050 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -7.351 -23.896 -21.744 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -6.803 -23.188 -23.806 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -7.597 -21.659 -23.488 1.00 0.00 H new ATOM 0 HE ARG A 21 -4.719 -22.185 -23.476 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -7.312 -20.098 -22.302 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -6.243 -18.714 -22.055 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -3.351 -20.404 -23.155 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -4.009 -18.885 -22.537 1.00 0.00 H new ATOM 343 N GLU A 22 -11.248 -21.901 -19.371 1.00 0.00 N ATOM 344 CA GLU A 22 -12.045 -21.048 -18.497 1.00 0.00 C ATOM 345 C GLU A 22 -12.625 -21.849 -17.335 1.00 0.00 C ATOM 346 O GLU A 22 -12.671 -23.079 -17.377 1.00 0.00 O ATOM 347 CB GLU A 22 -13.175 -20.385 -19.288 1.00 0.00 C ATOM 348 CG GLU A 22 -12.740 -19.141 -20.044 1.00 0.00 C ATOM 349 CD GLU A 22 -12.123 -19.463 -21.391 1.00 0.00 C ATOM 350 OE1 GLU A 22 -11.033 -20.072 -21.413 1.00 0.00 O ATOM 351 OE2 GLU A 22 -12.729 -19.106 -22.423 1.00 0.00 O ATOM 0 H GLU A 22 -11.782 -22.376 -20.099 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.392 -20.275 -18.092 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -13.583 -21.106 -19.996 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -13.980 -20.120 -18.603 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -13.601 -18.489 -20.190 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -12.020 -18.588 -19.442 1.00 0.00 H new ATOM 358 N VAL A 23 -13.066 -21.144 -16.299 1.00 0.00 N ATOM 359 CA VAL A 23 -13.644 -21.788 -15.126 1.00 0.00 C ATOM 360 C VAL A 23 -15.092 -21.358 -14.920 1.00 0.00 C ATOM 361 O VAL A 23 -15.558 -20.393 -15.526 1.00 0.00 O ATOM 362 CB VAL A 23 -12.838 -21.464 -13.854 1.00 0.00 C ATOM 363 CG1 VAL A 23 -11.637 -22.390 -13.732 1.00 0.00 C ATOM 364 CG2 VAL A 23 -12.400 -20.007 -13.858 1.00 0.00 C ATOM 0 H VAL A 23 -13.034 -20.126 -16.248 1.00 0.00 H new ATOM 0 HA VAL A 23 -13.609 -22.863 -15.306 1.00 0.00 H new ATOM 0 HB VAL A 23 -13.480 -21.625 -12.988 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -11.080 -22.146 -12.828 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -11.978 -23.424 -13.680 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -10.991 -22.265 -14.601 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -11.832 -19.795 -12.952 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -11.775 -19.817 -14.731 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -13.279 -19.363 -13.894 1.00 0.00 H new ATOM 374 N THR A 24 -15.802 -22.081 -14.059 1.00 0.00 N ATOM 375 CA THR A 24 -17.198 -21.776 -13.772 1.00 0.00 C ATOM 376 C THR A 24 -17.317 -20.740 -12.661 1.00 0.00 C ATOM 377 O THR A 24 -16.711 -20.882 -11.600 1.00 0.00 O ATOM 378 CB THR A 24 -17.977 -23.041 -13.365 1.00 0.00 C ATOM 379 OG1 THR A 24 -17.809 -24.060 -14.356 1.00 0.00 O ATOM 380 CG2 THR A 24 -19.457 -22.733 -13.194 1.00 0.00 C ATOM 0 H THR A 24 -15.432 -22.883 -13.548 1.00 0.00 H new ATOM 0 HA THR A 24 -17.628 -21.373 -14.689 1.00 0.00 H new ATOM 0 HB THR A 24 -17.582 -23.393 -12.412 1.00 0.00 H new ATOM 0 HG1 THR A 24 -18.306 -24.861 -14.089 1.00 0.00 H new ATOM 0 HG21 THR A 24 -19.987 -23.641 -12.907 1.00 0.00 H new ATOM 0 HG22 THR A 24 -19.584 -21.978 -12.418 1.00 0.00 H new ATOM 0 HG23 THR A 24 -19.862 -22.359 -14.134 1.00 0.00 H new ATOM 388 N MET A 25 -18.103 -19.698 -12.912 1.00 0.00 N ATOM 389 CA MET A 25 -18.303 -18.638 -11.931 1.00 0.00 C ATOM 390 C MET A 25 -19.740 -18.635 -11.419 1.00 0.00 C ATOM 391 O MET A 25 -20.632 -19.213 -12.040 1.00 0.00 O ATOM 392 CB MET A 25 -17.964 -17.277 -12.542 1.00 0.00 C ATOM 393 CG MET A 25 -17.402 -16.283 -11.538 1.00 0.00 C ATOM 394 SD MET A 25 -17.166 -14.641 -12.244 1.00 0.00 S ATOM 395 CE MET A 25 -15.900 -14.977 -13.466 1.00 0.00 C ATOM 0 H MET A 25 -18.612 -19.565 -13.786 1.00 0.00 H new ATOM 0 HA MET A 25 -17.636 -18.826 -11.089 1.00 0.00 H new ATOM 0 HB2 MET A 25 -17.240 -17.418 -13.345 1.00 0.00 H new ATOM 0 HB3 MET A 25 -18.863 -16.856 -12.993 1.00 0.00 H new ATOM 0 HG2 MET A 25 -18.077 -16.214 -10.685 1.00 0.00 H new ATOM 0 HG3 MET A 25 -16.448 -16.653 -11.161 1.00 0.00 H new ATOM 0 HE1 MET A 25 -15.734 -14.087 -14.072 1.00 0.00 H new ATOM 0 HE2 MET A 25 -14.973 -15.252 -12.963 1.00 0.00 H new ATOM 0 HE3 MET A 25 -16.222 -15.798 -14.107 1.00 0.00 H new ATOM 405 N LYS A 26 -19.957 -17.981 -10.283 1.00 0.00 N ATOM 406 CA LYS A 26 -21.286 -17.902 -9.687 1.00 0.00 C ATOM 407 C LYS A 26 -21.502 -16.549 -9.017 1.00 0.00 C ATOM 408 O LYS A 26 -20.646 -16.070 -8.272 1.00 0.00 O ATOM 409 CB LYS A 26 -21.478 -19.026 -8.667 1.00 0.00 C ATOM 410 CG LYS A 26 -21.796 -20.371 -9.296 1.00 0.00 C ATOM 411 CD LYS A 26 -22.566 -21.266 -8.339 1.00 0.00 C ATOM 412 CE LYS A 26 -24.062 -21.000 -8.410 1.00 0.00 C ATOM 413 NZ LYS A 26 -24.470 -19.882 -7.514 1.00 0.00 N ATOM 0 H LYS A 26 -19.229 -17.498 -9.756 1.00 0.00 H new ATOM 0 HA LYS A 26 -22.022 -18.014 -10.484 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -20.572 -19.120 -8.068 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -22.284 -18.753 -7.986 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -22.380 -20.220 -10.204 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -20.870 -20.864 -9.591 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -22.369 -22.311 -8.578 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -22.214 -21.100 -7.321 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -24.340 -20.763 -9.437 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -24.605 -21.904 -8.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -25.446 -20.036 -7.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -23.833 -19.845 -6.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -24.417 -18.983 -8.034 1.00 0.00 H new ATOM 427 N LYS A 27 -22.650 -15.937 -9.284 1.00 0.00 N ATOM 428 CA LYS A 27 -22.981 -14.641 -8.705 1.00 0.00 C ATOM 429 C LYS A 27 -22.808 -14.662 -7.189 1.00 0.00 C ATOM 430 O LYS A 27 -23.534 -15.358 -6.482 1.00 0.00 O ATOM 431 CB LYS A 27 -24.418 -14.252 -9.059 1.00 0.00 C ATOM 432 CG LYS A 27 -25.447 -15.295 -8.658 1.00 0.00 C ATOM 433 CD LYS A 27 -26.751 -15.112 -9.416 1.00 0.00 C ATOM 434 CE LYS A 27 -27.936 -15.638 -8.621 1.00 0.00 C ATOM 435 NZ LYS A 27 -27.904 -17.121 -8.495 1.00 0.00 N ATOM 0 H LYS A 27 -23.368 -16.319 -9.899 1.00 0.00 H new ATOM 0 HA LYS A 27 -22.298 -13.901 -9.121 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -24.661 -13.308 -8.571 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -24.485 -14.082 -10.134 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -25.050 -16.292 -8.850 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -25.635 -15.228 -7.586 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -26.900 -14.055 -9.636 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -26.693 -15.632 -10.372 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -27.935 -15.189 -7.628 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -28.863 -15.335 -9.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -28.728 -17.441 -7.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -27.930 -17.550 -9.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -27.031 -17.409 -8.008 1.00 0.00 H new ATOM 449 N GLY A 28 -21.841 -13.893 -6.698 1.00 0.00 N ATOM 450 CA GLY A 28 -21.591 -13.838 -5.269 1.00 0.00 C ATOM 451 C GLY A 28 -20.303 -14.535 -4.878 1.00 0.00 C ATOM 452 O GLY A 28 -19.969 -14.619 -3.696 1.00 0.00 O ATOM 0 H GLY A 28 -21.227 -13.307 -7.264 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -21.548 -12.796 -4.951 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -22.425 -14.299 -4.739 1.00 0.00 H new ATOM 456 N ASP A 29 -19.579 -15.037 -5.872 1.00 0.00 N ATOM 457 CA ASP A 29 -18.320 -15.731 -5.626 1.00 0.00 C ATOM 458 C ASP A 29 -17.132 -14.812 -5.890 1.00 0.00 C ATOM 459 O ASP A 29 -17.076 -14.133 -6.916 1.00 0.00 O ATOM 460 CB ASP A 29 -18.221 -16.979 -6.506 1.00 0.00 C ATOM 461 CG ASP A 29 -16.864 -17.647 -6.411 1.00 0.00 C ATOM 462 OD1 ASP A 29 -16.297 -17.686 -5.299 1.00 0.00 O ATOM 463 OD2 ASP A 29 -16.368 -18.133 -7.450 1.00 0.00 O ATOM 0 H ASP A 29 -19.842 -14.976 -6.856 1.00 0.00 H new ATOM 0 HA ASP A 29 -18.298 -16.031 -4.578 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -18.994 -17.689 -6.213 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -18.416 -16.706 -7.543 1.00 0.00 H new ATOM 468 N ILE A 30 -16.186 -14.794 -4.958 1.00 0.00 N ATOM 469 CA ILE A 30 -14.999 -13.958 -5.090 1.00 0.00 C ATOM 470 C ILE A 30 -13.796 -14.779 -5.541 1.00 0.00 C ATOM 471 O ILE A 30 -13.600 -15.911 -5.096 1.00 0.00 O ATOM 472 CB ILE A 30 -14.657 -13.252 -3.764 1.00 0.00 C ATOM 473 CG1 ILE A 30 -15.904 -12.586 -3.180 1.00 0.00 C ATOM 474 CG2 ILE A 30 -13.554 -12.227 -3.979 1.00 0.00 C ATOM 475 CD1 ILE A 30 -15.660 -11.910 -1.849 1.00 0.00 C ATOM 0 H ILE A 30 -16.218 -15.349 -4.103 1.00 0.00 H new ATOM 0 HA ILE A 30 -15.226 -13.205 -5.845 1.00 0.00 H new ATOM 0 HB ILE A 30 -14.300 -13.998 -3.054 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -16.278 -11.848 -3.890 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -16.685 -13.337 -3.059 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -13.324 -11.737 -3.033 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -12.661 -12.727 -4.356 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -13.885 -11.482 -4.702 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -16.587 -11.459 -1.494 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -15.315 -12.647 -1.124 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -14.902 -11.136 -1.968 1.00 0.00 H new ATOM 487 N LEU A 31 -12.990 -14.201 -6.425 1.00 0.00 N ATOM 488 CA LEU A 31 -11.803 -14.878 -6.936 1.00 0.00 C ATOM 489 C LEU A 31 -10.586 -13.961 -6.877 1.00 0.00 C ATOM 490 O LEU A 31 -10.705 -12.769 -6.589 1.00 0.00 O ATOM 491 CB LEU A 31 -12.036 -15.342 -8.375 1.00 0.00 C ATOM 492 CG LEU A 31 -13.346 -16.087 -8.636 1.00 0.00 C ATOM 493 CD1 LEU A 31 -14.466 -15.105 -8.945 1.00 0.00 C ATOM 494 CD2 LEU A 31 -13.176 -17.081 -9.776 1.00 0.00 C ATOM 0 H LEU A 31 -13.137 -13.265 -6.803 1.00 0.00 H new ATOM 0 HA LEU A 31 -11.612 -15.747 -6.307 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -12.001 -14.469 -9.027 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -11.209 -15.990 -8.665 1.00 0.00 H new ATOM 0 HG LEU A 31 -13.613 -16.640 -7.735 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -15.390 -15.653 -9.128 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -14.604 -14.433 -8.098 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -14.207 -14.525 -9.831 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -14.118 -17.602 -9.948 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -12.885 -16.549 -10.682 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -12.403 -17.804 -9.516 1.00 0.00 H new ATOM 506 N THR A 32 -9.413 -14.524 -7.152 1.00 0.00 N ATOM 507 CA THR A 32 -8.174 -13.758 -7.131 1.00 0.00 C ATOM 508 C THR A 32 -7.713 -13.419 -8.544 1.00 0.00 C ATOM 509 O THR A 32 -7.619 -14.295 -9.404 1.00 0.00 O ATOM 510 CB THR A 32 -7.051 -14.525 -6.407 1.00 0.00 C ATOM 511 OG1 THR A 32 -7.428 -14.778 -5.049 1.00 0.00 O ATOM 512 CG2 THR A 32 -5.750 -13.738 -6.440 1.00 0.00 C ATOM 0 H THR A 32 -9.296 -15.508 -7.392 1.00 0.00 H new ATOM 0 HA THR A 32 -8.382 -12.836 -6.588 1.00 0.00 H new ATOM 0 HB THR A 32 -6.896 -15.473 -6.923 1.00 0.00 H new ATOM 0 HG1 THR A 32 -6.710 -15.267 -4.596 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.972 -14.299 -5.923 1.00 0.00 H new ATOM 0 HG22 THR A 32 -5.451 -13.573 -7.475 1.00 0.00 H new ATOM 0 HG23 THR A 32 -5.893 -12.777 -5.946 1.00 0.00 H new ATOM 520 N LEU A 33 -7.426 -12.143 -8.777 1.00 0.00 N ATOM 521 CA LEU A 33 -6.973 -11.688 -10.087 1.00 0.00 C ATOM 522 C LEU A 33 -5.571 -12.208 -10.390 1.00 0.00 C ATOM 523 O LEU A 33 -4.683 -12.162 -9.538 1.00 0.00 O ATOM 524 CB LEU A 33 -6.987 -10.160 -10.151 1.00 0.00 C ATOM 525 CG LEU A 33 -7.160 -9.547 -11.541 1.00 0.00 C ATOM 526 CD1 LEU A 33 -7.415 -8.052 -11.438 1.00 0.00 C ATOM 527 CD2 LEU A 33 -5.936 -9.824 -12.402 1.00 0.00 C ATOM 0 H LEU A 33 -7.499 -11.405 -8.076 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.657 -12.083 -10.838 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.793 -9.797 -9.513 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.054 -9.790 -9.727 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.025 -10.009 -12.016 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.535 -7.634 -12.437 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.322 -7.877 -10.859 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.571 -7.572 -10.943 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.077 -9.380 -13.388 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.054 -9.390 -11.931 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.799 -10.901 -12.505 1.00 0.00 H new ATOM 539 N LEU A 34 -5.379 -12.701 -11.609 1.00 0.00 N ATOM 540 CA LEU A 34 -4.084 -13.228 -12.025 1.00 0.00 C ATOM 541 C LEU A 34 -3.606 -12.549 -13.305 1.00 0.00 C ATOM 542 O LEU A 34 -2.437 -12.189 -13.428 1.00 0.00 O ATOM 543 CB LEU A 34 -4.172 -14.740 -12.239 1.00 0.00 C ATOM 544 CG LEU A 34 -3.784 -15.611 -11.044 1.00 0.00 C ATOM 545 CD1 LEU A 34 -4.543 -15.177 -9.799 1.00 0.00 C ATOM 546 CD2 LEU A 34 -4.046 -17.079 -11.346 1.00 0.00 C ATOM 0 H LEU A 34 -6.103 -12.747 -12.326 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.363 -13.020 -11.234 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.194 -14.987 -12.526 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.531 -15.006 -13.080 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.718 -15.484 -10.857 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.254 -15.808 -8.958 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.305 -14.138 -9.571 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.615 -15.274 -9.974 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.764 -17.684 -10.484 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.105 -17.223 -11.559 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.457 -17.383 -12.211 1.00 0.00 H new ATOM 558 N ASN A 35 -4.520 -12.376 -14.254 1.00 0.00 N ATOM 559 CA ASN A 35 -4.192 -11.738 -15.524 1.00 0.00 C ATOM 560 C ASN A 35 -5.262 -10.723 -15.915 1.00 0.00 C ATOM 561 O ASN A 35 -6.446 -11.051 -15.989 1.00 0.00 O ATOM 562 CB ASN A 35 -4.046 -12.791 -16.624 1.00 0.00 C ATOM 563 CG ASN A 35 -3.246 -12.283 -17.808 1.00 0.00 C ATOM 564 OD1 ASN A 35 -3.869 -11.442 -18.625 1.00 0.00 O flip ATOM 565 ND2 ASN A 35 -2.082 -12.642 -17.986 1.00 0.00 N flip ATOM 0 H ASN A 35 -5.493 -12.669 -14.168 1.00 0.00 H new ATOM 0 HA ASN A 35 -3.244 -11.213 -15.405 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -3.560 -13.676 -16.214 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -5.035 -13.098 -16.963 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -1.643 -13.290 -17.332 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -1.557 -12.291 -18.787 1.00 0.00 H new ATOM 572 N SER A 36 -4.836 -9.489 -16.164 1.00 0.00 N ATOM 573 CA SER A 36 -5.757 -8.424 -16.545 1.00 0.00 C ATOM 574 C SER A 36 -5.253 -7.687 -17.782 1.00 0.00 C ATOM 575 O SER A 36 -5.534 -6.503 -17.972 1.00 0.00 O ATOM 576 CB SER A 36 -5.936 -7.439 -15.388 1.00 0.00 C ATOM 577 OG SER A 36 -6.935 -7.886 -14.488 1.00 0.00 O ATOM 0 H SER A 36 -3.859 -9.202 -16.109 1.00 0.00 H new ATOM 0 HA SER A 36 -6.720 -8.876 -16.781 1.00 0.00 H new ATOM 0 HB2 SER A 36 -4.991 -7.320 -14.858 1.00 0.00 H new ATOM 0 HB3 SER A 36 -6.207 -6.459 -15.780 1.00 0.00 H new ATOM 0 HG SER A 36 -7.721 -7.305 -14.557 1.00 0.00 H new ATOM 583 N THR A 37 -4.507 -8.397 -18.623 1.00 0.00 N ATOM 584 CA THR A 37 -3.963 -7.811 -19.842 1.00 0.00 C ATOM 585 C THR A 37 -4.938 -7.956 -21.005 1.00 0.00 C ATOM 586 O THR A 37 -4.590 -7.694 -22.155 1.00 0.00 O ATOM 587 CB THR A 37 -2.622 -8.463 -20.228 1.00 0.00 C ATOM 588 OG1 THR A 37 -1.861 -8.754 -19.050 1.00 0.00 O ATOM 589 CG2 THR A 37 -1.820 -7.550 -21.143 1.00 0.00 C ATOM 0 H THR A 37 -4.266 -9.378 -18.482 1.00 0.00 H new ATOM 0 HA THR A 37 -3.800 -6.753 -19.638 1.00 0.00 H new ATOM 0 HB THR A 37 -2.834 -9.390 -20.761 1.00 0.00 H new ATOM 0 HG1 THR A 37 -1.011 -9.170 -19.304 1.00 0.00 H new ATOM 0 HG21 THR A 37 -0.877 -8.032 -21.402 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.389 -7.354 -22.052 1.00 0.00 H new ATOM 0 HG23 THR A 37 -1.618 -6.609 -20.632 1.00 0.00 H new ATOM 597 N ASN A 38 -6.162 -8.374 -20.696 1.00 0.00 N ATOM 598 CA ASN A 38 -7.188 -8.553 -21.717 1.00 0.00 C ATOM 599 C ASN A 38 -8.554 -8.115 -21.197 1.00 0.00 C ATOM 600 O ASN A 38 -9.247 -8.876 -20.521 1.00 0.00 O ATOM 601 CB ASN A 38 -7.244 -10.016 -22.162 1.00 0.00 C ATOM 602 CG ASN A 38 -7.273 -10.161 -23.671 1.00 0.00 C ATOM 603 OD1 ASN A 38 -6.501 -10.928 -24.247 1.00 0.00 O ATOM 604 ND2 ASN A 38 -8.165 -9.421 -24.319 1.00 0.00 N ATOM 0 H ASN A 38 -6.467 -8.595 -19.748 1.00 0.00 H new ATOM 0 HA ASN A 38 -6.928 -7.930 -22.573 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.379 -10.547 -21.765 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -8.130 -10.488 -21.737 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.230 -9.475 -25.335 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -8.785 -8.799 -23.800 1.00 0.00 H new ATOM 611 N LYS A 39 -8.936 -6.884 -21.518 1.00 0.00 N ATOM 612 CA LYS A 39 -10.219 -6.343 -21.086 1.00 0.00 C ATOM 613 C LYS A 39 -11.351 -7.318 -21.394 1.00 0.00 C ATOM 614 O LYS A 39 -12.350 -7.372 -20.675 1.00 0.00 O ATOM 615 CB LYS A 39 -10.487 -5.001 -21.771 1.00 0.00 C ATOM 616 CG LYS A 39 -10.389 -5.061 -23.285 1.00 0.00 C ATOM 617 CD LYS A 39 -10.565 -3.687 -23.910 1.00 0.00 C ATOM 618 CE LYS A 39 -9.312 -2.839 -23.753 1.00 0.00 C ATOM 619 NZ LYS A 39 -9.357 -1.619 -24.605 1.00 0.00 N ATOM 0 H LYS A 39 -8.375 -6.241 -22.077 1.00 0.00 H new ATOM 0 HA LYS A 39 -10.177 -6.191 -20.007 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -11.482 -4.653 -21.493 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -9.776 -4.264 -21.398 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -9.421 -5.471 -23.572 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -11.150 -5.738 -23.673 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -10.802 -3.795 -24.968 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -11.410 -3.180 -23.444 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -9.199 -2.548 -22.709 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -8.436 -3.433 -24.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -8.485 -1.068 -24.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -9.439 -1.896 -25.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -10.178 -1.039 -24.338 1.00 0.00 H new ATOM 633 N ASP A 40 -11.189 -8.087 -22.465 1.00 0.00 N ATOM 634 CA ASP A 40 -12.196 -9.062 -22.866 1.00 0.00 C ATOM 635 C ASP A 40 -12.361 -10.143 -21.802 1.00 0.00 C ATOM 636 O ASP A 40 -13.398 -10.228 -21.145 1.00 0.00 O ATOM 637 CB ASP A 40 -11.816 -9.699 -24.204 1.00 0.00 C ATOM 638 CG ASP A 40 -11.630 -8.671 -25.303 1.00 0.00 C ATOM 639 OD1 ASP A 40 -12.451 -7.734 -25.382 1.00 0.00 O ATOM 640 OD2 ASP A 40 -10.665 -8.805 -26.084 1.00 0.00 O ATOM 0 H ASP A 40 -10.369 -8.054 -23.071 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.146 -8.540 -22.978 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -10.894 -10.268 -24.083 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -12.591 -10.406 -24.499 1.00 0.00 H new ATOM 645 N TRP A 41 -11.332 -10.967 -21.640 1.00 0.00 N ATOM 646 CA TRP A 41 -11.363 -12.043 -20.656 1.00 0.00 C ATOM 647 C TRP A 41 -10.239 -11.884 -19.639 1.00 0.00 C ATOM 648 O TRP A 41 -9.095 -11.611 -20.003 1.00 0.00 O ATOM 649 CB TRP A 41 -11.250 -13.401 -21.352 1.00 0.00 C ATOM 650 CG TRP A 41 -12.277 -13.607 -22.423 1.00 0.00 C ATOM 651 CD1 TRP A 41 -12.261 -13.085 -23.685 1.00 0.00 C ATOM 652 CD2 TRP A 41 -13.473 -14.389 -22.326 1.00 0.00 C ATOM 653 NE1 TRP A 41 -13.375 -13.495 -24.378 1.00 0.00 N ATOM 654 CE2 TRP A 41 -14.133 -14.297 -23.566 1.00 0.00 C ATOM 655 CE3 TRP A 41 -14.048 -15.159 -21.312 1.00 0.00 C ATOM 656 CZ2 TRP A 41 -15.339 -14.946 -23.817 1.00 0.00 C ATOM 657 CZ3 TRP A 41 -15.245 -15.802 -21.562 1.00 0.00 C ATOM 658 CH2 TRP A 41 -15.880 -15.693 -22.807 1.00 0.00 C ATOM 0 H TRP A 41 -10.467 -10.911 -22.177 1.00 0.00 H new ATOM 0 HA TRP A 41 -12.315 -11.991 -20.127 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -10.256 -13.496 -21.789 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -11.348 -14.192 -20.608 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -11.487 -12.444 -24.080 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -13.601 -13.243 -25.340 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -13.566 -15.250 -20.350 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -15.830 -14.863 -24.775 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -15.699 -16.399 -20.785 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -16.814 -16.209 -22.972 1.00 0.00 H new ATOM 669 N TRP A 42 -10.571 -12.056 -18.365 1.00 0.00 N ATOM 670 CA TRP A 42 -9.587 -11.931 -17.295 1.00 0.00 C ATOM 671 C TRP A 42 -9.314 -13.284 -16.646 1.00 0.00 C ATOM 672 O TRP A 42 -10.216 -14.110 -16.505 1.00 0.00 O ATOM 673 CB TRP A 42 -10.073 -10.935 -16.241 1.00 0.00 C ATOM 674 CG TRP A 42 -9.949 -9.505 -16.673 1.00 0.00 C ATOM 675 CD1 TRP A 42 -9.141 -9.014 -17.659 1.00 0.00 C ATOM 676 CD2 TRP A 42 -10.653 -8.382 -16.132 1.00 0.00 C ATOM 677 NE1 TRP A 42 -9.301 -7.654 -17.763 1.00 0.00 N ATOM 678 CE2 TRP A 42 -10.224 -7.242 -16.838 1.00 0.00 C ATOM 679 CE3 TRP A 42 -11.606 -8.230 -15.121 1.00 0.00 C ATOM 680 CZ2 TRP A 42 -10.714 -5.968 -16.563 1.00 0.00 C ATOM 681 CZ3 TRP A 42 -12.092 -6.965 -14.850 1.00 0.00 C ATOM 682 CH2 TRP A 42 -11.646 -5.848 -15.569 1.00 0.00 C ATOM 0 H TRP A 42 -11.513 -12.282 -18.047 1.00 0.00 H new ATOM 0 HA TRP A 42 -8.658 -11.564 -17.731 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -11.116 -11.147 -16.005 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -9.503 -11.081 -15.324 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -8.475 -9.608 -18.267 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -8.812 -7.049 -18.422 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -11.956 -9.085 -14.562 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -10.370 -5.105 -17.115 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -12.828 -6.835 -14.071 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -12.046 -4.873 -15.334 1.00 0.00 H new ATOM 693 N LYS A 43 -8.064 -13.505 -16.253 1.00 0.00 N ATOM 694 CA LYS A 43 -7.672 -14.757 -15.617 1.00 0.00 C ATOM 695 C LYS A 43 -7.725 -14.636 -14.098 1.00 0.00 C ATOM 696 O LYS A 43 -6.993 -13.845 -13.502 1.00 0.00 O ATOM 697 CB LYS A 43 -6.262 -15.157 -16.059 1.00 0.00 C ATOM 698 CG LYS A 43 -5.969 -16.638 -15.891 1.00 0.00 C ATOM 699 CD LYS A 43 -4.501 -16.885 -15.590 1.00 0.00 C ATOM 700 CE LYS A 43 -3.702 -17.119 -16.863 1.00 0.00 C ATOM 701 NZ LYS A 43 -3.742 -18.546 -17.288 1.00 0.00 N ATOM 0 H LYS A 43 -7.305 -12.833 -16.364 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.376 -15.529 -15.926 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.128 -14.885 -17.106 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.534 -14.584 -15.485 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.580 -17.041 -15.083 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.250 -17.171 -16.800 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.090 -16.030 -15.053 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.404 -17.750 -14.934 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.098 -16.491 -17.661 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.667 -16.816 -16.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.848 -18.794 -17.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.875 -19.153 -16.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.532 -18.689 -17.950 1.00 0.00 H new ATOM 715 N VAL A 44 -8.595 -15.426 -13.475 1.00 0.00 N ATOM 716 CA VAL A 44 -8.741 -15.409 -12.025 1.00 0.00 C ATOM 717 C VAL A 44 -8.357 -16.753 -11.418 1.00 0.00 C ATOM 718 O VAL A 44 -8.055 -17.706 -12.137 1.00 0.00 O ATOM 719 CB VAL A 44 -10.184 -15.064 -11.610 1.00 0.00 C ATOM 720 CG1 VAL A 44 -10.598 -13.718 -12.185 1.00 0.00 C ATOM 721 CG2 VAL A 44 -11.141 -16.160 -12.055 1.00 0.00 C ATOM 0 H VAL A 44 -9.209 -16.086 -13.953 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.068 -14.638 -11.648 1.00 0.00 H new ATOM 0 HB VAL A 44 -10.225 -14.995 -10.523 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -11.620 -13.491 -11.881 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -9.929 -12.942 -11.813 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -10.543 -13.755 -13.273 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -12.156 -15.901 -11.754 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -11.099 -16.262 -13.139 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -10.855 -17.104 -11.591 1.00 0.00 H new ATOM 731 N GLU A 45 -8.370 -16.823 -10.091 1.00 0.00 N ATOM 732 CA GLU A 45 -8.022 -18.052 -9.387 1.00 0.00 C ATOM 733 C GLU A 45 -9.065 -18.383 -8.323 1.00 0.00 C ATOM 734 O GLU A 45 -9.545 -17.500 -7.612 1.00 0.00 O ATOM 735 CB GLU A 45 -6.641 -17.923 -8.741 1.00 0.00 C ATOM 736 CG GLU A 45 -6.190 -19.177 -8.013 1.00 0.00 C ATOM 737 CD GLU A 45 -5.130 -18.895 -6.966 1.00 0.00 C ATOM 738 OE1 GLU A 45 -5.435 -18.176 -5.992 1.00 0.00 O ATOM 739 OE2 GLU A 45 -3.996 -19.395 -7.121 1.00 0.00 O ATOM 0 H GLU A 45 -8.618 -16.043 -9.482 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.000 -18.863 -10.114 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -5.910 -17.678 -9.512 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.654 -17.090 -8.038 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.051 -19.645 -7.536 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.799 -19.892 -8.737 1.00 0.00 H new ATOM 746 N VAL A 46 -9.411 -19.663 -8.220 1.00 0.00 N ATOM 747 CA VAL A 46 -10.395 -20.112 -7.243 1.00 0.00 C ATOM 748 C VAL A 46 -9.756 -21.014 -6.193 1.00 0.00 C ATOM 749 O VAL A 46 -8.607 -21.434 -6.336 1.00 0.00 O ATOM 750 CB VAL A 46 -11.552 -20.871 -7.921 1.00 0.00 C ATOM 751 CG1 VAL A 46 -12.193 -20.014 -9.001 1.00 0.00 C ATOM 752 CG2 VAL A 46 -11.057 -22.189 -8.497 1.00 0.00 C ATOM 0 H VAL A 46 -9.024 -20.406 -8.801 1.00 0.00 H new ATOM 0 HA VAL A 46 -10.790 -19.219 -6.758 1.00 0.00 H new ATOM 0 HB VAL A 46 -12.310 -21.091 -7.169 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -13.008 -20.567 -9.468 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -12.584 -19.099 -8.555 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -11.447 -19.761 -9.755 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -11.886 -22.713 -8.972 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -10.280 -21.994 -9.236 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -10.650 -22.806 -7.696 1.00 0.00 H new ATOM 940 N GLN A 58 -6.280 -22.046 -11.224 1.00 0.00 N ATOM 941 CA GLN A 58 -6.372 -20.888 -12.107 1.00 0.00 C ATOM 942 C GLN A 58 -7.325 -21.161 -13.265 1.00 0.00 C ATOM 943 O GLN A 58 -7.467 -22.299 -13.710 1.00 0.00 O ATOM 944 CB GLN A 58 -4.988 -20.520 -12.645 1.00 0.00 C ATOM 945 CG GLN A 58 -4.264 -21.681 -13.308 1.00 0.00 C ATOM 946 CD GLN A 58 -3.413 -22.471 -12.333 1.00 0.00 C ATOM 947 OE1 GLN A 58 -3.633 -23.664 -12.123 1.00 0.00 O ATOM 948 NE2 GLN A 58 -2.432 -21.807 -11.732 1.00 0.00 N ATOM 0 HA GLN A 58 -6.764 -20.051 -11.528 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -5.091 -19.708 -13.365 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -4.377 -20.143 -11.825 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -4.996 -22.346 -13.767 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -3.632 -21.300 -14.110 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -2.286 -20.818 -11.936 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.825 -22.286 -11.066 1.00 0.00 H new ATOM 957 N GLY A 59 -7.977 -20.109 -13.750 1.00 0.00 N ATOM 958 CA GLY A 59 -8.909 -20.256 -14.852 1.00 0.00 C ATOM 959 C GLY A 59 -9.326 -18.923 -15.441 1.00 0.00 C ATOM 960 O GLY A 59 -9.404 -17.920 -14.732 1.00 0.00 O ATOM 0 H GLY A 59 -7.876 -19.157 -13.399 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.452 -20.867 -15.631 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -9.794 -20.790 -14.506 1.00 0.00 H new ATOM 964 N PHE A 60 -9.593 -18.911 -16.743 1.00 0.00 N ATOM 965 CA PHE A 60 -10.002 -17.691 -17.428 1.00 0.00 C ATOM 966 C PHE A 60 -11.505 -17.466 -17.290 1.00 0.00 C ATOM 967 O PHE A 60 -12.271 -18.412 -17.104 1.00 0.00 O ATOM 968 CB PHE A 60 -9.619 -17.759 -18.908 1.00 0.00 C ATOM 969 CG PHE A 60 -8.244 -17.226 -19.197 1.00 0.00 C ATOM 970 CD1 PHE A 60 -8.049 -15.878 -19.452 1.00 0.00 C ATOM 971 CD2 PHE A 60 -7.148 -18.073 -19.212 1.00 0.00 C ATOM 972 CE1 PHE A 60 -6.785 -15.386 -19.718 1.00 0.00 C ATOM 973 CE2 PHE A 60 -5.882 -17.587 -19.478 1.00 0.00 C ATOM 974 CZ PHE A 60 -5.700 -16.241 -19.730 1.00 0.00 C ATOM 0 H PHE A 60 -9.533 -19.733 -17.344 1.00 0.00 H new ATOM 0 HA PHE A 60 -9.483 -16.853 -16.963 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -9.676 -18.795 -19.243 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -10.348 -17.195 -19.490 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -8.893 -15.205 -19.443 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -7.285 -19.126 -19.013 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -6.646 -14.334 -19.916 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -5.036 -18.258 -19.489 1.00 0.00 H new ATOM 0 HZ PHE A 60 -4.711 -15.858 -19.936 1.00 0.00 H new ATOM 984 N VAL A 61 -11.920 -16.207 -17.381 1.00 0.00 N ATOM 985 CA VAL A 61 -13.331 -15.856 -17.267 1.00 0.00 C ATOM 986 C VAL A 61 -13.625 -14.529 -17.957 1.00 0.00 C ATOM 987 O VAL A 61 -12.741 -13.696 -18.159 1.00 0.00 O ATOM 988 CB VAL A 61 -13.769 -15.765 -15.793 1.00 0.00 C ATOM 989 CG1 VAL A 61 -14.076 -17.148 -15.240 1.00 0.00 C ATOM 990 CG2 VAL A 61 -12.698 -15.075 -14.962 1.00 0.00 C ATOM 0 H VAL A 61 -11.299 -15.412 -17.533 1.00 0.00 H new ATOM 0 HA VAL A 61 -13.895 -16.649 -17.757 1.00 0.00 H new ATOM 0 HB VAL A 61 -14.680 -15.169 -15.739 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -14.384 -17.063 -14.198 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -14.880 -17.601 -15.820 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -13.185 -17.772 -15.306 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -13.023 -15.019 -13.923 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -11.769 -15.643 -15.021 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -12.533 -14.068 -15.345 1.00 0.00 H new ATOM 1000 N PRO A 62 -14.898 -14.325 -18.328 1.00 0.00 N ATOM 1001 CA PRO A 62 -15.339 -13.099 -19.001 1.00 0.00 C ATOM 1002 C PRO A 62 -15.312 -11.888 -18.075 1.00 0.00 C ATOM 1003 O PRO A 62 -15.915 -11.901 -17.002 1.00 0.00 O ATOM 1004 CB PRO A 62 -16.776 -13.421 -19.418 1.00 0.00 C ATOM 1005 CG PRO A 62 -17.226 -14.464 -18.453 1.00 0.00 C ATOM 1006 CD PRO A 62 -16.004 -15.274 -18.120 1.00 0.00 C ATOM 0 HA PRO A 62 -14.688 -12.834 -19.834 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -17.410 -12.536 -19.369 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -16.818 -13.786 -20.444 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -17.650 -14.010 -17.557 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -18.003 -15.091 -18.890 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -16.032 -15.640 -17.094 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -15.912 -16.146 -18.767 1.00 0.00 H new ATOM 1014 N ALA A 63 -14.609 -10.842 -18.496 1.00 0.00 N ATOM 1015 CA ALA A 63 -14.505 -9.622 -17.706 1.00 0.00 C ATOM 1016 C ALA A 63 -15.868 -8.957 -17.542 1.00 0.00 C ATOM 1017 O ALA A 63 -16.046 -8.088 -16.689 1.00 0.00 O ATOM 1018 CB ALA A 63 -13.519 -8.658 -18.349 1.00 0.00 C ATOM 0 H ALA A 63 -14.102 -10.815 -19.381 1.00 0.00 H new ATOM 0 HA ALA A 63 -14.139 -9.891 -16.715 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -13.452 -7.751 -17.748 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.537 -9.128 -18.408 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -13.861 -8.403 -19.352 1.00 0.00 H new ATOM 1024 N ALA A 64 -16.826 -9.371 -18.365 1.00 0.00 N ATOM 1025 CA ALA A 64 -18.172 -8.816 -18.310 1.00 0.00 C ATOM 1026 C ALA A 64 -18.967 -9.417 -17.156 1.00 0.00 C ATOM 1027 O ALA A 64 -20.102 -9.017 -16.896 1.00 0.00 O ATOM 1028 CB ALA A 64 -18.894 -9.049 -19.629 1.00 0.00 C ATOM 0 H ALA A 64 -16.694 -10.089 -19.078 1.00 0.00 H new ATOM 0 HA ALA A 64 -18.089 -7.743 -18.139 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -19.898 -8.629 -19.573 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -18.343 -8.566 -20.436 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -18.959 -10.119 -19.824 1.00 0.00 H new ATOM 1034 N TYR A 65 -18.365 -10.381 -16.468 1.00 0.00 N ATOM 1035 CA TYR A 65 -19.019 -11.041 -15.344 1.00 0.00 C ATOM 1036 C TYR A 65 -18.155 -10.962 -14.089 1.00 0.00 C ATOM 1037 O TYR A 65 -18.144 -11.880 -13.269 1.00 0.00 O ATOM 1038 CB TYR A 65 -19.312 -12.503 -15.684 1.00 0.00 C ATOM 1039 CG TYR A 65 -20.406 -12.678 -16.712 1.00 0.00 C ATOM 1040 CD1 TYR A 65 -20.246 -12.212 -18.012 1.00 0.00 C ATOM 1041 CD2 TYR A 65 -21.600 -13.309 -16.385 1.00 0.00 C ATOM 1042 CE1 TYR A 65 -21.243 -12.369 -18.955 1.00 0.00 C ATOM 1043 CE2 TYR A 65 -22.602 -13.471 -17.322 1.00 0.00 C ATOM 1044 CZ TYR A 65 -22.419 -13.000 -18.606 1.00 0.00 C ATOM 1045 OH TYR A 65 -23.415 -13.159 -19.541 1.00 0.00 O ATOM 0 H TYR A 65 -17.425 -10.723 -16.669 1.00 0.00 H new ATOM 0 HA TYR A 65 -19.959 -10.525 -15.149 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -18.400 -12.971 -16.053 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -19.594 -13.030 -14.772 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -19.326 -11.719 -18.289 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -21.747 -13.679 -15.381 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -21.103 -12.000 -19.960 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -23.524 -13.964 -17.051 1.00 0.00 H new ATOM 0 HH TYR A 65 -24.175 -13.624 -19.133 1.00 0.00 H new ATOM 1055 N VAL A 66 -17.431 -9.856 -13.945 1.00 0.00 N ATOM 1056 CA VAL A 66 -16.565 -9.654 -12.790 1.00 0.00 C ATOM 1057 C VAL A 66 -16.431 -8.173 -12.456 1.00 0.00 C ATOM 1058 O VAL A 66 -16.424 -7.322 -13.346 1.00 0.00 O ATOM 1059 CB VAL A 66 -15.163 -10.243 -13.030 1.00 0.00 C ATOM 1060 CG1 VAL A 66 -15.249 -11.739 -13.292 1.00 0.00 C ATOM 1061 CG2 VAL A 66 -14.476 -9.531 -14.186 1.00 0.00 C ATOM 0 H VAL A 66 -17.427 -9.086 -14.614 1.00 0.00 H new ATOM 0 HA VAL A 66 -17.030 -10.172 -11.951 1.00 0.00 H new ATOM 0 HB VAL A 66 -14.566 -10.089 -12.131 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -14.248 -12.137 -13.459 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -15.697 -12.234 -12.431 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -15.863 -11.919 -14.174 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -13.486 -9.960 -14.341 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -15.070 -9.651 -15.092 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -14.379 -8.470 -13.954 1.00 0.00 H new ATOM 1071 N LYS A 67 -16.325 -7.870 -11.167 1.00 0.00 N ATOM 1072 CA LYS A 67 -16.189 -6.491 -10.713 1.00 0.00 C ATOM 1073 C LYS A 67 -15.223 -6.398 -9.535 1.00 0.00 C ATOM 1074 O LYS A 67 -15.499 -6.912 -8.451 1.00 0.00 O ATOM 1075 CB LYS A 67 -17.554 -5.928 -10.312 1.00 0.00 C ATOM 1076 CG LYS A 67 -17.569 -4.416 -10.162 1.00 0.00 C ATOM 1077 CD LYS A 67 -17.649 -3.723 -11.512 1.00 0.00 C ATOM 1078 CE LYS A 67 -17.377 -2.232 -11.391 1.00 0.00 C ATOM 1079 NZ LYS A 67 -18.385 -1.552 -10.531 1.00 0.00 N ATOM 0 H LYS A 67 -16.331 -8.562 -10.417 1.00 0.00 H new ATOM 0 HA LYS A 67 -15.787 -5.902 -11.537 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -18.291 -6.218 -11.061 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -17.862 -6.381 -9.370 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -18.419 -4.119 -9.548 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -16.669 -4.092 -9.638 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -16.928 -4.171 -12.195 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -18.637 -3.880 -11.944 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -16.381 -2.077 -10.975 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -17.382 -1.780 -12.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -18.205 -0.528 -10.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -19.339 -1.735 -10.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -18.316 -1.918 -9.560 1.00 0.00 H new ATOM 1093 N LYS A 68 -14.091 -5.739 -9.755 1.00 0.00 N ATOM 1094 CA LYS A 68 -13.085 -5.576 -8.712 1.00 0.00 C ATOM 1095 C LYS A 68 -13.693 -4.944 -7.464 1.00 0.00 C ATOM 1096 O LYS A 68 -14.442 -3.970 -7.551 1.00 0.00 O ATOM 1097 CB LYS A 68 -11.928 -4.713 -9.222 1.00 0.00 C ATOM 1098 CG LYS A 68 -10.662 -4.844 -8.393 1.00 0.00 C ATOM 1099 CD LYS A 68 -9.670 -3.737 -8.712 1.00 0.00 C ATOM 1100 CE LYS A 68 -8.983 -3.973 -10.048 1.00 0.00 C ATOM 1101 NZ LYS A 68 -9.754 -3.388 -11.180 1.00 0.00 N ATOM 0 H LYS A 68 -13.847 -5.309 -10.647 1.00 0.00 H new ATOM 0 HA LYS A 68 -12.706 -6.564 -8.450 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -11.707 -4.988 -10.253 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -12.241 -3.669 -9.231 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -10.915 -4.813 -7.333 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -10.201 -5.813 -8.582 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -10.187 -2.778 -8.732 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -8.921 -3.679 -7.922 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -7.985 -3.536 -10.025 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -8.859 -5.044 -10.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -9.988 -4.136 -11.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -10.632 -2.962 -10.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -9.182 -2.657 -11.649 1.00 0.00 H new ATOM 1115 N LEU A 69 -13.365 -5.503 -6.305 1.00 0.00 N ATOM 1116 CA LEU A 69 -13.878 -4.993 -5.037 1.00 0.00 C ATOM 1117 C LEU A 69 -12.784 -4.265 -4.262 1.00 0.00 C ATOM 1118 O LEU A 69 -13.008 -3.180 -3.724 1.00 0.00 O ATOM 1119 CB LEU A 69 -14.441 -6.138 -4.194 1.00 0.00 C ATOM 1120 CG LEU A 69 -13.480 -7.290 -3.900 1.00 0.00 C ATOM 1121 CD1 LEU A 69 -12.860 -7.129 -2.521 1.00 0.00 C ATOM 1122 CD2 LEU A 69 -14.200 -8.626 -4.010 1.00 0.00 C ATOM 0 H LEU A 69 -12.746 -6.309 -6.216 1.00 0.00 H new ATOM 0 HA LEU A 69 -14.677 -4.284 -5.255 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -14.786 -5.728 -3.245 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -15.316 -6.542 -4.704 1.00 0.00 H new ATOM 0 HG LEU A 69 -12.680 -7.269 -4.640 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -12.179 -7.958 -2.329 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -12.309 -6.189 -2.477 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -13.647 -7.124 -1.767 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -13.501 -9.435 -3.798 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -15.020 -8.658 -3.293 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -14.596 -8.744 -5.019 1.00 0.00 H new ATOM 1134 N ASP A 70 -11.602 -4.867 -4.210 1.00 0.00 N ATOM 1135 CA ASP A 70 -10.472 -4.275 -3.503 1.00 0.00 C ATOM 1136 C ASP A 70 -10.096 -2.928 -4.112 1.00 0.00 C ATOM 1137 O ASP A 70 -10.377 -2.665 -5.282 1.00 0.00 O ATOM 1138 CB ASP A 70 -9.269 -5.219 -3.538 1.00 0.00 C ATOM 1139 CG ASP A 70 -8.194 -4.824 -2.545 1.00 0.00 C ATOM 1140 OD1 ASP A 70 -8.548 -4.377 -1.434 1.00 0.00 O ATOM 1141 OD2 ASP A 70 -6.998 -4.962 -2.878 1.00 0.00 O ATOM 0 H ASP A 70 -11.401 -5.765 -4.649 1.00 0.00 H new ATOM 0 HA ASP A 70 -10.767 -4.115 -2.466 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -9.602 -6.235 -3.324 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -8.846 -5.227 -4.543 1.00 0.00 H new