USER MOD reduce.3.24.130724 H: found=0, std=0, add=532, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 532 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 8 ASN : amide:sc= 0.588 X(o=1.6,f=1.4) USER MOD Set 1.2: A 71 SER OG : rot 84:sc= 1.05 USER MOD Set 2.1: A 52 THR OG1 : rot 180:sc= 0.698 USER MOD Set 2.2: A 53 SER OG : rot -28:sc= 0.195 USER MOD Set 2.3: A 56 THR OG1 : rot 124:sc= 1.61 USER MOD Set 3.1: A 37 SER OG : rot 100:sc= 0.978 USER MOD Set 3.2: A 40 ASN : amide:sc= 0.696 X(o=1.7,f=1.4) USER MOD Set 4.1: A 14 CYS SG : rot 180:sc= -0.239 USER MOD Set 4.2: A 15 ASN : amide:sc= 0.746 K(o=1.2,f=-0.37) USER MOD Set 4.3: A 16 SER OG : rot 180:sc= 0.00647 USER MOD Set 4.4: A 19 GLN : amide:sc= 0.704 K(o=1.2,f=-0.74) USER MOD Single : A 1 LEU N :NH3+ 176:sc= 0.122 (180deg=0.118) USER MOD Single : A 2 THR OG1 : rot 32:sc= 0.101 USER MOD Single : A 3 GLN : amide:sc= 0.676 K(o=0.68,f=-0.082) USER MOD Single : A 5 THR OG1 : rot -160:sc= 0 USER MOD Single : A 12 MET CE :methyl 178:sc= -0.134 (180deg=-0.137) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 105:sc= 1.03 USER MOD Single : A 20 SER OG : rot 74:sc= 0.791 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0298) USER MOD Single : A 28 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0869) USER MOD Single : A 32 LYS NZ :NH3+ 166:sc= 0.285 (180deg=-0.0924) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 5:sc= 0.385 USER MOD Single : A 42 ASN : amide:sc= -0.0896 K(o=-0.09,f=-1.5!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl 170:sc= 0 (180deg=-0.126) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 6.338 -24.126 1.321 1.00 0.00 N ATOM 2 CA LEU A 1 4.889 -24.047 1.060 1.00 0.00 C ATOM 3 C LEU A 1 4.418 -22.594 1.108 1.00 0.00 C ATOM 4 O LEU A 1 4.711 -21.890 2.069 1.00 0.00 O ATOM 5 CB LEU A 1 4.126 -24.927 2.061 1.00 0.00 C ATOM 6 CG LEU A 1 2.596 -24.902 1.901 1.00 0.00 C ATOM 7 CD1 LEU A 1 2.144 -25.387 0.517 1.00 0.00 C ATOM 8 CD2 LEU A 1 1.974 -25.805 2.972 1.00 0.00 C ATOM 0 H1 LEU A 1 6.631 -25.123 1.352 1.00 0.00 H new ATOM 0 H2 LEU A 1 6.855 -23.637 0.562 1.00 0.00 H new ATOM 0 H3 LEU A 1 6.552 -23.674 2.233 1.00 0.00 H new ATOM 0 HA LEU A 1 4.682 -24.424 0.059 1.00 0.00 H new ATOM 0 HB2 LEU A 1 4.472 -25.955 1.958 1.00 0.00 H new ATOM 0 HB3 LEU A 1 4.378 -24.606 3.072 1.00 0.00 H new ATOM 0 HG LEU A 1 2.266 -23.869 2.012 1.00 0.00 H new ATOM 0 HD11 LEU A 1 1.056 -25.350 0.456 1.00 0.00 H new ATOM 0 HD12 LEU A 1 2.573 -24.744 -0.252 1.00 0.00 H new ATOM 0 HD13 LEU A 1 2.481 -26.412 0.363 1.00 0.00 H new ATOM 0 HD21 LEU A 1 0.889 -25.796 2.870 1.00 0.00 H new ATOM 0 HD22 LEU A 1 2.342 -26.823 2.848 1.00 0.00 H new ATOM 0 HD23 LEU A 1 2.248 -25.438 3.961 1.00 0.00 H new ATOM 22 N THR A 2 3.701 -22.148 0.070 1.00 0.00 N ATOM 23 CA THR A 2 3.218 -20.782 -0.073 1.00 0.00 C ATOM 24 C THR A 2 1.713 -20.723 0.185 1.00 0.00 C ATOM 25 O THR A 2 0.943 -21.414 -0.479 1.00 0.00 O ATOM 26 CB THR A 2 3.547 -20.271 -1.484 1.00 0.00 C ATOM 27 OG1 THR A 2 3.180 -21.233 -2.455 1.00 0.00 O ATOM 28 CG2 THR A 2 5.041 -19.968 -1.619 1.00 0.00 C ATOM 0 H THR A 2 3.437 -22.748 -0.711 1.00 0.00 H new ATOM 0 HA THR A 2 3.712 -20.144 0.660 1.00 0.00 H new ATOM 0 HB THR A 2 2.981 -19.354 -1.646 1.00 0.00 H new ATOM 0 HG1 THR A 2 2.397 -21.732 -2.142 1.00 0.00 H new ATOM 0 HG21 THR A 2 5.250 -19.608 -2.626 1.00 0.00 H new ATOM 0 HG22 THR A 2 5.324 -19.204 -0.895 1.00 0.00 H new ATOM 0 HG23 THR A 2 5.615 -20.876 -1.432 1.00 0.00 H new ATOM 36 N GLN A 3 1.304 -19.881 1.142 1.00 0.00 N ATOM 37 CA GLN A 3 -0.083 -19.509 1.395 1.00 0.00 C ATOM 38 C GLN A 3 -0.122 -18.000 1.632 1.00 0.00 C ATOM 39 O GLN A 3 0.902 -17.401 1.952 1.00 0.00 O ATOM 40 CB GLN A 3 -0.640 -20.265 2.609 1.00 0.00 C ATOM 41 CG GLN A 3 -0.903 -21.753 2.341 1.00 0.00 C ATOM 42 CD GLN A 3 -2.068 -21.975 1.378 1.00 0.00 C ATOM 43 OE1 GLN A 3 -3.223 -21.983 1.796 1.00 0.00 O ATOM 44 NE2 GLN A 3 -1.777 -22.159 0.089 1.00 0.00 N ATOM 0 H GLN A 3 1.957 -19.427 1.781 1.00 0.00 H new ATOM 0 HA GLN A 3 -0.705 -19.774 0.540 1.00 0.00 H new ATOM 0 HB2 GLN A 3 0.063 -20.173 3.437 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -1.570 -19.792 2.925 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -0.003 -22.210 1.929 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -1.114 -22.257 3.284 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -0.805 -22.146 -0.221 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -2.526 -22.313 -0.586 1.00 0.00 H new ATOM 53 N GLU A 4 -1.299 -17.386 1.459 1.00 0.00 N ATOM 54 CA GLU A 4 -1.482 -15.947 1.589 1.00 0.00 C ATOM 55 C GLU A 4 -2.804 -15.651 2.291 1.00 0.00 C ATOM 56 O GLU A 4 -3.768 -16.402 2.139 1.00 0.00 O ATOM 57 CB GLU A 4 -1.396 -15.299 0.199 1.00 0.00 C ATOM 58 CG GLU A 4 -1.358 -13.766 0.267 1.00 0.00 C ATOM 59 CD GLU A 4 -1.100 -13.151 -1.105 1.00 0.00 C ATOM 60 OE1 GLU A 4 -0.011 -13.430 -1.652 1.00 0.00 O ATOM 61 OE2 GLU A 4 -1.988 -12.410 -1.577 1.00 0.00 O ATOM 0 H GLU A 4 -2.156 -17.886 1.222 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.692 -15.518 2.205 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -0.503 -15.659 -0.312 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.253 -15.612 -0.398 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -2.304 -13.395 0.661 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -0.578 -13.451 0.960 1.00 0.00 H new ATOM 68 N THR A 5 -2.835 -14.562 3.069 1.00 0.00 N ATOM 69 CA THR A 5 -4.000 -14.123 3.821 1.00 0.00 C ATOM 70 C THR A 5 -4.088 -12.598 3.801 1.00 0.00 C ATOM 71 O THR A 5 -3.071 -11.916 3.675 1.00 0.00 O ATOM 72 CB THR A 5 -3.942 -14.674 5.255 1.00 0.00 C ATOM 73 OG1 THR A 5 -5.139 -14.357 5.936 1.00 0.00 O ATOM 74 CG2 THR A 5 -2.754 -14.127 6.058 1.00 0.00 C ATOM 0 H THR A 5 -2.027 -13.952 3.191 1.00 0.00 H new ATOM 0 HA THR A 5 -4.904 -14.514 3.355 1.00 0.00 H new ATOM 0 HB THR A 5 -3.815 -15.753 5.172 1.00 0.00 H new ATOM 0 HG1 THR A 5 -4.990 -14.414 6.903 1.00 0.00 H new ATOM 0 HG21 THR A 5 -2.767 -14.552 7.062 1.00 0.00 H new ATOM 0 HG22 THR A 5 -1.823 -14.398 5.561 1.00 0.00 H new ATOM 0 HG23 THR A 5 -2.828 -13.041 6.123 1.00 0.00 H new ATOM 82 N VAL A 6 -5.316 -12.082 3.936 1.00 0.00 N ATOM 83 CA VAL A 6 -5.613 -10.667 4.086 1.00 0.00 C ATOM 84 C VAL A 6 -6.220 -10.484 5.474 1.00 0.00 C ATOM 85 O VAL A 6 -7.296 -11.011 5.753 1.00 0.00 O ATOM 86 CB VAL A 6 -6.566 -10.190 2.975 1.00 0.00 C ATOM 87 CG1 VAL A 6 -6.870 -8.692 3.134 1.00 0.00 C ATOM 88 CG2 VAL A 6 -5.951 -10.422 1.590 1.00 0.00 C ATOM 0 H VAL A 6 -6.153 -12.665 3.943 1.00 0.00 H new ATOM 0 HA VAL A 6 -4.710 -10.063 3.992 1.00 0.00 H new ATOM 0 HB VAL A 6 -7.488 -10.766 3.063 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -7.545 -8.371 2.340 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -7.339 -8.517 4.102 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -5.942 -8.124 3.072 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -6.643 -10.077 0.822 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -5.015 -9.869 1.510 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -5.757 -11.486 1.452 1.00 0.00 H new ATOM 98 N ILE A 7 -5.523 -9.739 6.336 1.00 0.00 N ATOM 99 CA ILE A 7 -5.973 -9.404 7.675 1.00 0.00 C ATOM 100 C ILE A 7 -6.388 -7.937 7.645 1.00 0.00 C ATOM 101 O ILE A 7 -5.599 -7.087 7.247 1.00 0.00 O ATOM 102 CB ILE A 7 -4.855 -9.675 8.700 1.00 0.00 C ATOM 103 CG1 ILE A 7 -4.361 -11.127 8.550 1.00 0.00 C ATOM 104 CG2 ILE A 7 -5.381 -9.405 10.118 1.00 0.00 C ATOM 105 CD1 ILE A 7 -3.329 -11.546 9.599 1.00 0.00 C ATOM 0 H ILE A 7 -4.609 -9.346 6.110 1.00 0.00 H new ATOM 0 HA ILE A 7 -6.819 -10.019 7.982 1.00 0.00 H new ATOM 0 HB ILE A 7 -4.012 -9.009 8.519 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -5.217 -11.799 8.609 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -3.926 -11.251 7.558 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.589 -9.597 10.842 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -5.700 -8.366 10.196 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -6.227 -10.061 10.323 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -3.032 -12.580 9.425 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -2.454 -10.900 9.527 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.765 -11.456 10.594 1.00 0.00 H new ATOM 117 N ASN A 8 -7.622 -7.639 8.051 1.00 0.00 N ATOM 118 CA ASN A 8 -8.158 -6.289 8.106 1.00 0.00 C ATOM 119 C ASN A 8 -7.638 -5.637 9.382 1.00 0.00 C ATOM 120 O ASN A 8 -7.911 -6.142 10.470 1.00 0.00 O ATOM 121 CB ASN A 8 -9.691 -6.331 8.089 1.00 0.00 C ATOM 122 CG ASN A 8 -10.219 -7.156 6.919 1.00 0.00 C ATOM 123 OD1 ASN A 8 -10.442 -6.628 5.833 1.00 0.00 O ATOM 124 ND2 ASN A 8 -10.411 -8.459 7.137 1.00 0.00 N ATOM 0 H ASN A 8 -8.288 -8.349 8.357 1.00 0.00 H new ATOM 0 HA ASN A 8 -7.840 -5.708 7.240 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -10.054 -6.754 9.026 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -10.082 -5.316 8.025 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -10.756 -9.056 6.386 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -10.213 -8.857 8.055 1.00 0.00 H new ATOM 131 N ILE A 9 -6.878 -4.544 9.243 1.00 0.00 N ATOM 132 CA ILE A 9 -6.209 -3.870 10.346 1.00 0.00 C ATOM 133 C ILE A 9 -6.806 -2.473 10.469 1.00 0.00 C ATOM 134 O ILE A 9 -6.468 -1.585 9.689 1.00 0.00 O ATOM 135 CB ILE A 9 -4.683 -3.809 10.128 1.00 0.00 C ATOM 136 CG1 ILE A 9 -4.103 -5.184 9.760 1.00 0.00 C ATOM 137 CG2 ILE A 9 -4.045 -3.279 11.419 1.00 0.00 C ATOM 138 CD1 ILE A 9 -2.591 -5.148 9.518 1.00 0.00 C ATOM 0 H ILE A 9 -6.712 -4.100 8.340 1.00 0.00 H new ATOM 0 HA ILE A 9 -6.365 -4.427 11.270 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.462 -3.146 9.291 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.321 -5.891 10.561 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.601 -5.554 8.864 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.963 -3.225 11.295 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.436 -2.285 11.636 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.282 -3.950 12.244 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.240 -6.148 9.262 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.370 -4.465 8.698 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.086 -4.806 10.421 1.00 0.00 H new ATOM 150 N ASP A 10 -7.688 -2.280 11.454 1.00 0.00 N ATOM 151 CA ASP A 10 -8.333 -1.000 11.693 1.00 0.00 C ATOM 152 C ASP A 10 -7.616 -0.281 12.837 1.00 0.00 C ATOM 153 O ASP A 10 -7.171 -0.913 13.796 1.00 0.00 O ATOM 154 CB ASP A 10 -9.825 -1.209 11.977 1.00 0.00 C ATOM 155 CG ASP A 10 -10.517 -1.916 10.814 1.00 0.00 C ATOM 156 OD1 ASP A 10 -10.885 -1.203 9.854 1.00 0.00 O ATOM 157 OD2 ASP A 10 -10.661 -3.155 10.899 1.00 0.00 O ATOM 0 H ASP A 10 -7.971 -3.012 12.105 1.00 0.00 H new ATOM 0 HA ASP A 10 -8.263 -0.369 10.807 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -9.945 -1.797 12.887 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -10.302 -0.245 12.155 1.00 0.00 H new ATOM 162 N GLY A 11 -7.498 1.045 12.712 1.00 0.00 N ATOM 163 CA GLY A 11 -6.845 1.911 13.683 1.00 0.00 C ATOM 164 C GLY A 11 -5.386 2.219 13.330 1.00 0.00 C ATOM 165 O GLY A 11 -4.634 2.637 14.209 1.00 0.00 O ATOM 0 H GLY A 11 -7.866 1.554 11.908 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -7.400 2.846 13.757 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -6.883 1.439 14.665 1.00 0.00 H new ATOM 169 N MET A 12 -4.980 2.042 12.063 1.00 0.00 N ATOM 170 CA MET A 12 -3.647 2.412 11.597 1.00 0.00 C ATOM 171 C MET A 12 -3.602 3.920 11.342 1.00 0.00 C ATOM 172 O MET A 12 -3.513 4.366 10.199 1.00 0.00 O ATOM 173 CB MET A 12 -3.266 1.616 10.341 1.00 0.00 C ATOM 174 CG MET A 12 -3.203 0.112 10.618 1.00 0.00 C ATOM 175 SD MET A 12 -2.346 -0.868 9.354 1.00 0.00 S ATOM 176 CE MET A 12 -3.433 -0.616 7.935 1.00 0.00 C ATOM 0 H MET A 12 -5.572 1.638 11.337 1.00 0.00 H new ATOM 0 HA MET A 12 -2.914 2.166 12.365 1.00 0.00 H new ATOM 0 HB2 MET A 12 -3.994 1.810 9.553 1.00 0.00 H new ATOM 0 HB3 MET A 12 -2.299 1.959 9.973 1.00 0.00 H new ATOM 0 HG2 MET A 12 -2.707 -0.045 11.576 1.00 0.00 H new ATOM 0 HG3 MET A 12 -4.220 -0.266 10.721 1.00 0.00 H new ATOM 0 HE1 MET A 12 -3.021 -1.128 7.066 1.00 0.00 H new ATOM 0 HE2 MET A 12 -4.422 -1.017 8.158 1.00 0.00 H new ATOM 0 HE3 MET A 12 -3.514 0.450 7.723 1.00 0.00 H new ATOM 186 N THR A 13 -3.672 4.705 12.423 1.00 0.00 N ATOM 187 CA THR A 13 -3.695 6.157 12.377 1.00 0.00 C ATOM 188 C THR A 13 -2.346 6.676 11.878 1.00 0.00 C ATOM 189 O THR A 13 -1.376 6.674 12.630 1.00 0.00 O ATOM 190 CB THR A 13 -4.041 6.696 13.774 1.00 0.00 C ATOM 191 OG1 THR A 13 -5.236 6.091 14.227 1.00 0.00 O ATOM 192 CG2 THR A 13 -4.228 8.216 13.761 1.00 0.00 C ATOM 0 H THR A 13 -3.715 4.332 13.372 1.00 0.00 H new ATOM 0 HA THR A 13 -4.457 6.507 11.681 1.00 0.00 H new ATOM 0 HB THR A 13 -3.212 6.457 14.441 1.00 0.00 H new ATOM 0 HG1 THR A 13 -5.458 6.432 15.119 1.00 0.00 H new ATOM 0 HG21 THR A 13 -4.472 8.561 14.766 1.00 0.00 H new ATOM 0 HG22 THR A 13 -3.307 8.693 13.427 1.00 0.00 H new ATOM 0 HG23 THR A 13 -5.039 8.477 13.081 1.00 0.00 H new ATOM 200 N CYS A 14 -2.306 7.112 10.611 1.00 0.00 N ATOM 201 CA CYS A 14 -1.139 7.629 9.902 1.00 0.00 C ATOM 202 C CYS A 14 -0.244 6.494 9.398 1.00 0.00 C ATOM 203 O CYS A 14 -0.151 5.437 10.021 1.00 0.00 O ATOM 204 CB CYS A 14 -0.362 8.659 10.744 1.00 0.00 C ATOM 205 SG CYS A 14 0.871 9.517 9.731 1.00 0.00 S ATOM 0 H CYS A 14 -3.140 7.111 10.024 1.00 0.00 H new ATOM 0 HA CYS A 14 -1.501 8.163 9.023 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -1.055 9.383 11.172 1.00 0.00 H new ATOM 0 HB3 CYS A 14 0.130 8.158 11.577 1.00 0.00 H new ATOM 0 HG CYS A 14 1.510 10.380 10.464 1.00 0.00 H new ATOM 211 N ASN A 15 0.421 6.737 8.261 1.00 0.00 N ATOM 212 CA ASN A 15 1.379 5.844 7.621 1.00 0.00 C ATOM 213 C ASN A 15 2.474 5.343 8.570 1.00 0.00 C ATOM 214 O ASN A 15 3.033 4.279 8.331 1.00 0.00 O ATOM 215 CB ASN A 15 1.986 6.533 6.390 1.00 0.00 C ATOM 216 CG ASN A 15 2.580 7.905 6.710 1.00 0.00 C ATOM 217 OD1 ASN A 15 1.931 8.924 6.487 1.00 0.00 O ATOM 218 ND2 ASN A 15 3.807 7.945 7.230 1.00 0.00 N ATOM 0 H ASN A 15 0.295 7.606 7.742 1.00 0.00 H new ATOM 0 HA ASN A 15 0.831 4.954 7.310 1.00 0.00 H new ATOM 0 HB2 ASN A 15 2.763 5.895 5.969 1.00 0.00 H new ATOM 0 HB3 ASN A 15 1.217 6.645 5.626 1.00 0.00 H new ATOM 0 HD21 ASN A 15 4.236 8.842 7.456 1.00 0.00 H new ATOM 0 HD22 ASN A 15 4.317 7.078 7.402 1.00 0.00 H new ATOM 225 N SER A 16 2.775 6.084 9.645 1.00 0.00 N ATOM 226 CA SER A 16 3.695 5.658 10.692 1.00 0.00 C ATOM 227 C SER A 16 3.350 4.255 11.211 1.00 0.00 C ATOM 228 O SER A 16 4.239 3.421 11.376 1.00 0.00 O ATOM 229 CB SER A 16 3.658 6.681 11.831 1.00 0.00 C ATOM 230 OG SER A 16 3.883 7.981 11.322 1.00 0.00 O ATOM 0 H SER A 16 2.377 7.009 9.808 1.00 0.00 H new ATOM 0 HA SER A 16 4.701 5.605 10.276 1.00 0.00 H new ATOM 0 HB2 SER A 16 2.692 6.641 12.335 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.416 6.437 12.575 1.00 0.00 H new ATOM 0 HG SER A 16 3.856 8.629 12.057 1.00 0.00 H new ATOM 236 N CYS A 17 2.059 3.999 11.454 1.00 0.00 N ATOM 237 CA CYS A 17 1.564 2.709 11.919 1.00 0.00 C ATOM 238 C CYS A 17 1.847 1.628 10.880 1.00 0.00 C ATOM 239 O CYS A 17 2.409 0.586 11.213 1.00 0.00 O ATOM 240 CB CYS A 17 0.060 2.791 12.206 1.00 0.00 C ATOM 241 SG CYS A 17 -0.241 3.914 13.594 1.00 0.00 S ATOM 0 H CYS A 17 1.324 4.695 11.330 1.00 0.00 H new ATOM 0 HA CYS A 17 2.082 2.448 12.842 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -0.470 3.143 11.321 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -0.330 1.800 12.438 1.00 0.00 H new ATOM 0 HG CYS A 17 -0.728 5.034 13.148 1.00 0.00 H new ATOM 247 N VAL A 18 1.465 1.884 9.623 1.00 0.00 N ATOM 248 CA VAL A 18 1.681 0.981 8.503 1.00 0.00 C ATOM 249 C VAL A 18 3.155 0.588 8.402 1.00 0.00 C ATOM 250 O VAL A 18 3.458 -0.598 8.313 1.00 0.00 O ATOM 251 CB VAL A 18 1.151 1.625 7.210 1.00 0.00 C ATOM 252 CG1 VAL A 18 1.599 0.877 5.950 1.00 0.00 C ATOM 253 CG2 VAL A 18 -0.379 1.652 7.249 1.00 0.00 C ATOM 0 H VAL A 18 0.987 2.745 9.358 1.00 0.00 H new ATOM 0 HA VAL A 18 1.125 0.058 8.664 1.00 0.00 H new ATOM 0 HB VAL A 18 1.562 2.633 7.161 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.196 1.375 5.068 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.688 0.872 5.898 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.232 -0.149 5.986 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.758 2.108 6.334 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.759 0.634 7.332 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.711 2.234 8.109 1.00 0.00 H new ATOM 263 N GLN A 19 4.063 1.569 8.428 1.00 0.00 N ATOM 264 CA GLN A 19 5.503 1.348 8.364 1.00 0.00 C ATOM 265 C GLN A 19 5.980 0.442 9.501 1.00 0.00 C ATOM 266 O GLN A 19 6.758 -0.480 9.262 1.00 0.00 O ATOM 267 CB GLN A 19 6.235 2.694 8.405 1.00 0.00 C ATOM 268 CG GLN A 19 6.029 3.488 7.111 1.00 0.00 C ATOM 269 CD GLN A 19 6.543 4.914 7.267 1.00 0.00 C ATOM 270 OE1 GLN A 19 5.763 5.838 7.485 1.00 0.00 O ATOM 271 NE2 GLN A 19 7.861 5.101 7.161 1.00 0.00 N ATOM 0 H GLN A 19 3.809 2.554 8.495 1.00 0.00 H new ATOM 0 HA GLN A 19 5.732 0.843 7.425 1.00 0.00 H new ATOM 0 HB2 GLN A 19 5.876 3.278 9.252 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.300 2.525 8.563 1.00 0.00 H new ATOM 0 HG2 GLN A 19 6.550 2.996 6.290 1.00 0.00 H new ATOM 0 HG3 GLN A 19 4.970 3.504 6.853 1.00 0.00 H new ATOM 0 HE21 GLN A 19 8.476 4.308 6.979 1.00 0.00 H new ATOM 0 HE22 GLN A 19 8.253 6.037 7.262 1.00 0.00 H new ATOM 280 N SER A 20 5.518 0.699 10.732 1.00 0.00 N ATOM 281 CA SER A 20 5.886 -0.097 11.896 1.00 0.00 C ATOM 282 C SER A 20 5.475 -1.560 11.708 1.00 0.00 C ATOM 283 O SER A 20 6.307 -2.457 11.833 1.00 0.00 O ATOM 284 CB SER A 20 5.258 0.496 13.164 1.00 0.00 C ATOM 285 OG SER A 20 5.654 1.842 13.330 1.00 0.00 O ATOM 0 H SER A 20 4.879 1.466 10.942 1.00 0.00 H new ATOM 0 HA SER A 20 6.970 -0.070 12.007 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.171 0.436 13.101 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.560 -0.088 14.034 1.00 0.00 H new ATOM 0 HG SER A 20 5.176 2.405 12.686 1.00 0.00 H new ATOM 291 N ILE A 21 4.193 -1.791 11.398 1.00 0.00 N ATOM 292 CA ILE A 21 3.615 -3.115 11.197 1.00 0.00 C ATOM 293 C ILE A 21 4.371 -3.848 10.082 1.00 0.00 C ATOM 294 O ILE A 21 4.809 -4.981 10.277 1.00 0.00 O ATOM 295 CB ILE A 21 2.111 -2.977 10.894 1.00 0.00 C ATOM 296 CG1 ILE A 21 1.364 -2.361 12.094 1.00 0.00 C ATOM 297 CG2 ILE A 21 1.483 -4.339 10.560 1.00 0.00 C ATOM 298 CD1 ILE A 21 0.024 -1.759 11.664 1.00 0.00 C ATOM 0 H ILE A 21 3.515 -1.038 11.278 1.00 0.00 H new ATOM 0 HA ILE A 21 3.715 -3.713 12.103 1.00 0.00 H new ATOM 0 HB ILE A 21 2.016 -2.319 10.030 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.195 -3.126 12.852 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.982 -1.589 12.553 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.421 -4.209 10.351 1.00 0.00 H new ATOM 0 HG22 ILE A 21 1.976 -4.762 9.685 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.606 -5.014 11.407 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.479 -1.333 12.532 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.197 -0.977 10.925 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.602 -2.538 11.229 1.00 0.00 H new ATOM 310 N GLU A 22 4.523 -3.186 8.928 1.00 0.00 N ATOM 311 CA GLU A 22 5.232 -3.672 7.753 1.00 0.00 C ATOM 312 C GLU A 22 6.616 -4.194 8.148 1.00 0.00 C ATOM 313 O GLU A 22 6.923 -5.361 7.917 1.00 0.00 O ATOM 314 CB GLU A 22 5.325 -2.520 6.735 1.00 0.00 C ATOM 315 CG GLU A 22 5.870 -2.925 5.362 1.00 0.00 C ATOM 316 CD GLU A 22 4.787 -3.585 4.517 1.00 0.00 C ATOM 317 OE1 GLU A 22 4.048 -2.836 3.841 1.00 0.00 O ATOM 318 OE2 GLU A 22 4.712 -4.829 4.567 1.00 0.00 O ATOM 0 H GLU A 22 4.134 -2.253 8.789 1.00 0.00 H new ATOM 0 HA GLU A 22 4.695 -4.505 7.299 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.333 -2.087 6.604 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.962 -1.738 7.148 1.00 0.00 H new ATOM 0 HG2 GLU A 22 6.254 -2.045 4.845 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.707 -3.612 5.487 1.00 0.00 H new ATOM 325 N GLY A 23 7.437 -3.327 8.752 1.00 0.00 N ATOM 326 CA GLY A 23 8.805 -3.635 9.140 1.00 0.00 C ATOM 327 C GLY A 23 8.879 -4.828 10.089 1.00 0.00 C ATOM 328 O GLY A 23 9.591 -5.791 9.807 1.00 0.00 O ATOM 0 H GLY A 23 7.157 -2.375 8.986 1.00 0.00 H new ATOM 0 HA2 GLY A 23 9.396 -3.845 8.248 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.250 -2.763 9.619 1.00 0.00 H new ATOM 332 N VAL A 24 8.148 -4.762 11.208 1.00 0.00 N ATOM 333 CA VAL A 24 8.169 -5.789 12.243 1.00 0.00 C ATOM 334 C VAL A 24 7.768 -7.149 11.667 1.00 0.00 C ATOM 335 O VAL A 24 8.512 -8.117 11.805 1.00 0.00 O ATOM 336 CB VAL A 24 7.269 -5.366 13.420 1.00 0.00 C ATOM 337 CG1 VAL A 24 7.064 -6.507 14.426 1.00 0.00 C ATOM 338 CG2 VAL A 24 7.897 -4.178 14.164 1.00 0.00 C ATOM 0 H VAL A 24 7.521 -3.985 11.417 1.00 0.00 H new ATOM 0 HA VAL A 24 9.185 -5.895 12.623 1.00 0.00 H new ATOM 0 HB VAL A 24 6.303 -5.091 12.997 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.424 -6.165 15.239 1.00 0.00 H new ATOM 0 HG12 VAL A 24 6.594 -7.353 13.925 1.00 0.00 H new ATOM 0 HG13 VAL A 24 8.029 -6.814 14.829 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.253 -3.887 14.994 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.876 -4.465 14.548 1.00 0.00 H new ATOM 0 HG23 VAL A 24 8.008 -3.337 13.479 1.00 0.00 H new ATOM 348 N ILE A 25 6.593 -7.227 11.031 1.00 0.00 N ATOM 349 CA ILE A 25 6.040 -8.494 10.573 1.00 0.00 C ATOM 350 C ILE A 25 6.872 -9.085 9.430 1.00 0.00 C ATOM 351 O ILE A 25 7.024 -10.303 9.368 1.00 0.00 O ATOM 352 CB ILE A 25 4.538 -8.356 10.266 1.00 0.00 C ATOM 353 CG1 ILE A 25 3.817 -7.932 11.560 1.00 0.00 C ATOM 354 CG2 ILE A 25 3.962 -9.687 9.759 1.00 0.00 C ATOM 355 CD1 ILE A 25 2.305 -7.799 11.393 1.00 0.00 C ATOM 0 H ILE A 25 6.008 -6.418 10.824 1.00 0.00 H new ATOM 0 HA ILE A 25 6.108 -9.226 11.378 1.00 0.00 H new ATOM 0 HB ILE A 25 4.392 -7.608 9.487 1.00 0.00 H new ATOM 0 HG12 ILE A 25 4.026 -8.663 12.341 1.00 0.00 H new ATOM 0 HG13 ILE A 25 4.223 -6.979 11.899 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.899 -9.567 9.548 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.481 -9.985 8.848 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.096 -10.455 10.521 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.859 -7.498 12.341 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.087 -7.047 10.635 1.00 0.00 H new ATOM 0 HD13 ILE A 25 1.887 -8.757 11.084 1.00 0.00 H new ATOM 367 N SER A 26 7.441 -8.248 8.551 1.00 0.00 N ATOM 368 CA SER A 26 8.347 -8.707 7.500 1.00 0.00 C ATOM 369 C SER A 26 9.526 -9.525 8.048 1.00 0.00 C ATOM 370 O SER A 26 10.054 -10.370 7.328 1.00 0.00 O ATOM 371 CB SER A 26 8.854 -7.513 6.681 1.00 0.00 C ATOM 372 OG SER A 26 9.591 -7.962 5.563 1.00 0.00 O ATOM 0 H SER A 26 7.285 -7.240 8.552 1.00 0.00 H new ATOM 0 HA SER A 26 7.777 -9.374 6.854 1.00 0.00 H new ATOM 0 HB2 SER A 26 8.011 -6.907 6.350 1.00 0.00 H new ATOM 0 HB3 SER A 26 9.480 -6.875 7.305 1.00 0.00 H new ATOM 0 HG SER A 26 9.907 -7.190 5.048 1.00 0.00 H new ATOM 378 N LYS A 27 9.938 -9.285 9.300 1.00 0.00 N ATOM 379 CA LYS A 27 11.065 -9.972 9.921 1.00 0.00 C ATOM 380 C LYS A 27 10.643 -11.257 10.646 1.00 0.00 C ATOM 381 O LYS A 27 11.513 -12.012 11.077 1.00 0.00 O ATOM 382 CB LYS A 27 11.782 -9.017 10.888 1.00 0.00 C ATOM 383 CG LYS A 27 12.427 -7.838 10.145 1.00 0.00 C ATOM 384 CD LYS A 27 12.997 -6.783 11.105 1.00 0.00 C ATOM 385 CE LYS A 27 14.077 -7.313 12.056 1.00 0.00 C ATOM 386 NZ LYS A 27 15.210 -7.911 11.329 1.00 0.00 N ATOM 0 H LYS A 27 9.491 -8.602 9.911 1.00 0.00 H new ATOM 0 HA LYS A 27 11.748 -10.272 9.126 1.00 0.00 H new ATOM 0 HB2 LYS A 27 11.070 -8.639 11.622 1.00 0.00 H new ATOM 0 HB3 LYS A 27 12.548 -9.563 11.439 1.00 0.00 H new ATOM 0 HG2 LYS A 27 13.225 -8.210 9.502 1.00 0.00 H new ATOM 0 HG3 LYS A 27 11.686 -7.372 9.496 1.00 0.00 H new ATOM 0 HD2 LYS A 27 13.415 -5.964 10.520 1.00 0.00 H new ATOM 0 HD3 LYS A 27 12.181 -6.368 11.696 1.00 0.00 H new ATOM 0 HE2 LYS A 27 14.439 -6.498 12.683 1.00 0.00 H new ATOM 0 HE3 LYS A 27 13.640 -8.058 12.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 15.946 -8.195 12.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 14.883 -8.746 10.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 15.602 -7.215 10.663 1.00 0.00 H new ATOM 400 N LYS A 28 9.336 -11.528 10.790 1.00 0.00 N ATOM 401 CA LYS A 28 8.857 -12.714 11.492 1.00 0.00 C ATOM 402 C LYS A 28 9.101 -13.965 10.637 1.00 0.00 C ATOM 403 O LYS A 28 8.944 -13.910 9.416 1.00 0.00 O ATOM 404 CB LYS A 28 7.365 -12.573 11.832 1.00 0.00 C ATOM 405 CG LYS A 28 7.072 -11.412 12.792 1.00 0.00 C ATOM 406 CD LYS A 28 7.458 -11.722 14.245 1.00 0.00 C ATOM 407 CE LYS A 28 7.258 -10.498 15.147 1.00 0.00 C ATOM 408 NZ LYS A 28 5.851 -10.065 15.196 1.00 0.00 N ATOM 0 H LYS A 28 8.593 -10.933 10.424 1.00 0.00 H new ATOM 0 HA LYS A 28 9.410 -12.816 12.426 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.801 -12.426 10.911 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.011 -13.503 12.277 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.614 -10.527 12.459 1.00 0.00 H new ATOM 0 HG3 LYS A 28 6.010 -11.171 12.748 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.855 -12.551 14.615 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.499 -12.041 14.287 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.599 -10.733 16.155 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.876 -9.677 14.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.744 -9.313 15.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.566 -9.704 14.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.248 -10.872 15.453 1.00 0.00 H new ATOM 422 N PRO A 29 9.487 -15.095 11.255 1.00 0.00 N ATOM 423 CA PRO A 29 9.838 -16.311 10.541 1.00 0.00 C ATOM 424 C PRO A 29 8.617 -16.867 9.811 1.00 0.00 C ATOM 425 O PRO A 29 7.542 -16.991 10.396 1.00 0.00 O ATOM 426 CB PRO A 29 10.365 -17.281 11.603 1.00 0.00 C ATOM 427 CG PRO A 29 9.671 -16.814 12.882 1.00 0.00 C ATOM 428 CD PRO A 29 9.598 -15.300 12.690 1.00 0.00 C ATOM 0 HA PRO A 29 10.594 -16.137 9.775 1.00 0.00 H new ATOM 0 HB2 PRO A 29 10.114 -18.314 11.364 1.00 0.00 H new ATOM 0 HB3 PRO A 29 11.450 -17.229 11.692 1.00 0.00 H new ATOM 0 HG2 PRO A 29 8.681 -17.257 12.990 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.239 -17.082 13.772 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.740 -14.879 13.214 1.00 0.00 H new ATOM 0 HD3 PRO A 29 10.487 -14.811 13.089 1.00 0.00 H new ATOM 436 N GLY A 30 8.796 -17.188 8.525 1.00 0.00 N ATOM 437 CA GLY A 30 7.744 -17.704 7.668 1.00 0.00 C ATOM 438 C GLY A 30 7.230 -16.652 6.693 1.00 0.00 C ATOM 439 O GLY A 30 6.865 -17.007 5.574 1.00 0.00 O ATOM 0 H GLY A 30 9.694 -17.092 8.051 1.00 0.00 H new ATOM 0 HA2 GLY A 30 8.120 -18.562 7.110 1.00 0.00 H new ATOM 0 HA3 GLY A 30 6.918 -18.061 8.284 1.00 0.00 H new ATOM 443 N VAL A 31 7.190 -15.375 7.102 1.00 0.00 N ATOM 444 CA VAL A 31 6.668 -14.298 6.270 1.00 0.00 C ATOM 445 C VAL A 31 7.588 -14.090 5.066 1.00 0.00 C ATOM 446 O VAL A 31 8.775 -13.817 5.236 1.00 0.00 O ATOM 447 CB VAL A 31 6.496 -13.011 7.094 1.00 0.00 C ATOM 448 CG1 VAL A 31 5.978 -11.866 6.211 1.00 0.00 C ATOM 449 CG2 VAL A 31 5.500 -13.248 8.237 1.00 0.00 C ATOM 0 H VAL A 31 7.519 -15.068 8.017 1.00 0.00 H new ATOM 0 HA VAL A 31 5.680 -14.571 5.898 1.00 0.00 H new ATOM 0 HB VAL A 31 7.469 -12.737 7.501 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.863 -10.965 6.814 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.689 -11.677 5.407 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.014 -12.143 5.785 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.385 -12.331 8.815 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.535 -13.540 7.824 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.872 -14.041 8.885 1.00 0.00 H new ATOM 459 N LYS A 32 7.029 -14.225 3.856 1.00 0.00 N ATOM 460 CA LYS A 32 7.731 -14.020 2.601 1.00 0.00 C ATOM 461 C LYS A 32 7.551 -12.557 2.185 1.00 0.00 C ATOM 462 O LYS A 32 8.222 -11.686 2.737 1.00 0.00 O ATOM 463 CB LYS A 32 7.229 -15.026 1.552 1.00 0.00 C ATOM 464 CG LYS A 32 7.469 -16.472 1.999 1.00 0.00 C ATOM 465 CD LYS A 32 7.205 -17.429 0.831 1.00 0.00 C ATOM 466 CE LYS A 32 7.275 -18.894 1.273 1.00 0.00 C ATOM 467 NZ LYS A 32 6.117 -19.262 2.102 1.00 0.00 N ATOM 0 H LYS A 32 6.051 -14.487 3.730 1.00 0.00 H new ATOM 0 HA LYS A 32 8.800 -14.204 2.705 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.164 -14.870 1.377 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.737 -14.848 0.604 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.494 -16.588 2.351 1.00 0.00 H new ATOM 0 HG3 LYS A 32 6.815 -16.717 2.836 1.00 0.00 H new ATOM 0 HD2 LYS A 32 6.222 -17.223 0.407 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.936 -17.251 0.042 1.00 0.00 H new ATOM 0 HE2 LYS A 32 7.315 -19.539 0.395 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.194 -19.062 1.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.066 -20.297 2.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.219 -18.842 3.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 5.246 -18.908 1.658 1.00 0.00 H new ATOM 481 N SER A 33 6.647 -12.277 1.238 1.00 0.00 N ATOM 482 CA SER A 33 6.286 -10.925 0.846 1.00 0.00 C ATOM 483 C SER A 33 5.144 -10.442 1.736 1.00 0.00 C ATOM 484 O SER A 33 4.242 -11.212 2.061 1.00 0.00 O ATOM 485 CB SER A 33 5.887 -10.900 -0.634 1.00 0.00 C ATOM 486 OG SER A 33 4.821 -11.791 -0.890 1.00 0.00 O ATOM 0 H SER A 33 6.144 -12.998 0.721 1.00 0.00 H new ATOM 0 HA SER A 33 7.137 -10.256 0.972 1.00 0.00 H new ATOM 0 HB2 SER A 33 5.596 -9.889 -0.918 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.745 -11.169 -1.250 1.00 0.00 H new ATOM 0 HG SER A 33 4.585 -11.754 -1.840 1.00 0.00 H new ATOM 492 N ILE A 34 5.177 -9.164 2.122 1.00 0.00 N ATOM 493 CA ILE A 34 4.127 -8.534 2.904 1.00 0.00 C ATOM 494 C ILE A 34 3.933 -7.106 2.399 1.00 0.00 C ATOM 495 O ILE A 34 4.903 -6.416 2.087 1.00 0.00 O ATOM 496 CB ILE A 34 4.424 -8.625 4.412 1.00 0.00 C ATOM 497 CG1 ILE A 34 3.305 -7.915 5.195 1.00 0.00 C ATOM 498 CG2 ILE A 34 5.817 -8.089 4.772 1.00 0.00 C ATOM 499 CD1 ILE A 34 3.390 -8.127 6.706 1.00 0.00 C ATOM 0 H ILE A 34 5.947 -8.535 1.894 1.00 0.00 H new ATOM 0 HA ILE A 34 3.183 -9.063 2.772 1.00 0.00 H new ATOM 0 HB ILE A 34 4.439 -9.677 4.698 1.00 0.00 H new ATOM 0 HG12 ILE A 34 3.346 -6.847 4.983 1.00 0.00 H new ATOM 0 HG13 ILE A 34 2.339 -8.274 4.839 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.974 -8.177 5.847 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.577 -8.667 4.246 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.891 -7.042 4.479 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.571 -7.599 7.194 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.319 -9.192 6.929 1.00 0.00 H new ATOM 0 HD13 ILE A 34 4.341 -7.742 7.075 1.00 0.00 H new ATOM 511 N ARG A 35 2.667 -6.694 2.293 1.00 0.00 N ATOM 512 CA ARG A 35 2.253 -5.388 1.814 1.00 0.00 C ATOM 513 C ARG A 35 1.086 -4.915 2.680 1.00 0.00 C ATOM 514 O ARG A 35 -0.004 -5.483 2.613 1.00 0.00 O ATOM 515 CB ARG A 35 1.890 -5.417 0.314 1.00 0.00 C ATOM 516 CG ARG A 35 1.438 -6.770 -0.268 1.00 0.00 C ATOM 517 CD ARG A 35 2.613 -7.618 -0.781 1.00 0.00 C ATOM 518 NE ARG A 35 2.164 -8.815 -1.504 1.00 0.00 N ATOM 519 CZ ARG A 35 1.848 -10.002 -0.960 1.00 0.00 C ATOM 520 NH1 ARG A 35 1.802 -10.175 0.369 1.00 0.00 N ATOM 521 NH2 ARG A 35 1.574 -11.031 -1.769 1.00 0.00 N ATOM 0 H ARG A 35 1.879 -7.288 2.550 1.00 0.00 H new ATOM 0 HA ARG A 35 3.079 -4.683 1.901 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.094 -4.692 0.143 1.00 0.00 H new ATOM 0 HB3 ARG A 35 2.758 -5.077 -0.252 1.00 0.00 H new ATOM 0 HG2 ARG A 35 0.899 -7.328 0.498 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.739 -6.594 -1.085 1.00 0.00 H new ATOM 0 HD2 ARG A 35 3.236 -7.012 -1.439 1.00 0.00 H new ATOM 0 HD3 ARG A 35 3.237 -7.918 0.061 1.00 0.00 H new ATOM 0 HE ARG A 35 2.084 -8.738 -2.518 1.00 0.00 H new ATOM 0 HH11 ARG A 35 2.010 -9.395 0.992 1.00 0.00 H new ATOM 0 HH12 ARG A 35 1.559 -11.087 0.757 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.607 -10.907 -2.781 1.00 0.00 H new ATOM 0 HH22 ARG A 35 1.332 -11.940 -1.374 1.00 0.00 H new ATOM 535 N VAL A 36 1.330 -3.879 3.493 1.00 0.00 N ATOM 536 CA VAL A 36 0.348 -3.268 4.377 1.00 0.00 C ATOM 537 C VAL A 36 -0.096 -1.939 3.763 1.00 0.00 C ATOM 538 O VAL A 36 0.732 -1.060 3.530 1.00 0.00 O ATOM 539 CB VAL A 36 0.937 -3.092 5.790 1.00 0.00 C ATOM 540 CG1 VAL A 36 -0.127 -2.559 6.759 1.00 0.00 C ATOM 541 CG2 VAL A 36 1.476 -4.415 6.352 1.00 0.00 C ATOM 0 H VAL A 36 2.246 -3.435 3.550 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.526 -3.910 4.482 1.00 0.00 H new ATOM 0 HB VAL A 36 1.757 -2.380 5.699 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.310 -2.442 7.751 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.490 -1.594 6.406 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.958 -3.262 6.809 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.882 -4.248 7.349 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.667 -5.143 6.407 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.262 -4.794 5.699 1.00 0.00 H new ATOM 551 N SER A 37 -1.401 -1.804 3.496 1.00 0.00 N ATOM 552 CA SER A 37 -2.005 -0.632 2.874 1.00 0.00 C ATOM 553 C SER A 37 -2.720 0.229 3.917 1.00 0.00 C ATOM 554 O SER A 37 -3.553 -0.275 4.670 1.00 0.00 O ATOM 555 CB SER A 37 -2.999 -1.088 1.802 1.00 0.00 C ATOM 556 OG SER A 37 -3.647 0.024 1.215 1.00 0.00 O ATOM 0 H SER A 37 -2.081 -2.532 3.716 1.00 0.00 H new ATOM 0 HA SER A 37 -1.220 -0.029 2.417 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.477 -1.658 1.034 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.739 -1.754 2.245 1.00 0.00 H new ATOM 0 HG SER A 37 -3.224 0.233 0.356 1.00 0.00 H new ATOM 562 N LEU A 38 -2.412 1.532 3.923 1.00 0.00 N ATOM 563 CA LEU A 38 -3.131 2.544 4.687 1.00 0.00 C ATOM 564 C LEU A 38 -4.543 2.666 4.106 1.00 0.00 C ATOM 565 O LEU A 38 -5.528 2.491 4.822 1.00 0.00 O ATOM 566 CB LEU A 38 -2.352 3.874 4.609 1.00 0.00 C ATOM 567 CG LEU A 38 -2.767 5.004 5.576 1.00 0.00 C ATOM 568 CD1 LEU A 38 -4.187 5.530 5.344 1.00 0.00 C ATOM 569 CD2 LEU A 38 -2.582 4.630 7.050 1.00 0.00 C ATOM 0 H LEU A 38 -1.637 1.915 3.382 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.215 2.271 5.739 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.298 3.656 4.780 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.438 4.254 3.591 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.078 5.815 5.339 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.404 6.321 6.062 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.267 5.927 4.332 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.902 4.717 5.473 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.891 5.465 7.679 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.190 3.756 7.283 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.533 4.402 7.239 1.00 0.00 H new ATOM 581 N ALA A 39 -4.623 2.957 2.800 1.00 0.00 N ATOM 582 CA ALA A 39 -5.856 3.205 2.063 1.00 0.00 C ATOM 583 C ALA A 39 -6.892 2.100 2.269 1.00 0.00 C ATOM 584 O ALA A 39 -8.048 2.394 2.569 1.00 0.00 O ATOM 585 CB ALA A 39 -5.532 3.373 0.577 1.00 0.00 C ATOM 0 H ALA A 39 -3.794 3.027 2.211 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.301 4.122 2.450 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.452 3.559 0.023 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -4.853 4.215 0.446 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -5.060 2.465 0.203 1.00 0.00 H new ATOM 591 N ASN A 40 -6.479 0.834 2.122 1.00 0.00 N ATOM 592 CA ASN A 40 -7.372 -0.312 2.261 1.00 0.00 C ATOM 593 C ASN A 40 -7.434 -0.809 3.711 1.00 0.00 C ATOM 594 O ASN A 40 -8.225 -1.703 4.004 1.00 0.00 O ATOM 595 CB ASN A 40 -6.935 -1.438 1.316 1.00 0.00 C ATOM 596 CG ASN A 40 -6.979 -1.011 -0.149 1.00 0.00 C ATOM 597 OD1 ASN A 40 -7.996 -1.181 -0.816 1.00 0.00 O ATOM 598 ND2 ASN A 40 -5.875 -0.462 -0.658 1.00 0.00 N ATOM 0 H ASN A 40 -5.515 0.581 1.903 1.00 0.00 H new ATOM 0 HA ASN A 40 -8.377 0.008 1.987 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -5.923 -1.752 1.571 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -7.583 -2.303 1.460 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -5.856 -0.167 -1.634 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -5.050 -0.338 -0.071 1.00 0.00 H new ATOM 605 N SER A 41 -6.622 -0.233 4.613 1.00 0.00 N ATOM 606 CA SER A 41 -6.603 -0.532 6.040 1.00 0.00 C ATOM 607 C SER A 41 -6.488 -2.036 6.292 1.00 0.00 C ATOM 608 O SER A 41 -7.315 -2.624 6.989 1.00 0.00 O ATOM 609 CB SER A 41 -7.821 0.097 6.728 1.00 0.00 C ATOM 610 OG SER A 41 -7.768 1.503 6.601 1.00 0.00 O ATOM 0 H SER A 41 -5.939 0.478 4.351 1.00 0.00 H new ATOM 0 HA SER A 41 -5.714 -0.085 6.484 1.00 0.00 H new ATOM 0 HB2 SER A 41 -8.740 -0.283 6.281 1.00 0.00 H new ATOM 0 HB3 SER A 41 -7.840 -0.182 7.782 1.00 0.00 H new ATOM 0 HG SER A 41 -7.003 1.752 6.042 1.00 0.00 H new ATOM 616 N ASN A 42 -5.459 -2.660 5.709 1.00 0.00 N ATOM 617 CA ASN A 42 -5.260 -4.098 5.793 1.00 0.00 C ATOM 618 C ASN A 42 -3.799 -4.471 5.564 1.00 0.00 C ATOM 619 O ASN A 42 -3.029 -3.698 4.996 1.00 0.00 O ATOM 620 CB ASN A 42 -6.213 -4.840 4.838 1.00 0.00 C ATOM 621 CG ASN A 42 -6.009 -4.532 3.354 1.00 0.00 C ATOM 622 OD1 ASN A 42 -5.075 -3.838 2.961 1.00 0.00 O ATOM 623 ND2 ASN A 42 -6.897 -5.061 2.511 1.00 0.00 N ATOM 0 H ASN A 42 -4.744 -2.176 5.167 1.00 0.00 H new ATOM 0 HA ASN A 42 -5.507 -4.419 6.805 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -6.094 -5.913 4.991 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -7.240 -4.592 5.108 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -6.811 -4.893 1.509 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.662 -5.633 2.869 1.00 0.00 H new ATOM 630 N GLY A 43 -3.443 -5.674 6.020 1.00 0.00 N ATOM 631 CA GLY A 43 -2.157 -6.313 5.839 1.00 0.00 C ATOM 632 C GLY A 43 -2.355 -7.557 4.986 1.00 0.00 C ATOM 633 O GLY A 43 -3.003 -8.505 5.427 1.00 0.00 O ATOM 0 H GLY A 43 -4.089 -6.254 6.555 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.458 -5.629 5.356 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.727 -6.580 6.804 1.00 0.00 H new ATOM 637 N THR A 44 -1.786 -7.551 3.777 1.00 0.00 N ATOM 638 CA THR A 44 -1.796 -8.688 2.872 1.00 0.00 C ATOM 639 C THR A 44 -0.442 -9.369 3.036 1.00 0.00 C ATOM 640 O THR A 44 0.584 -8.809 2.652 1.00 0.00 O ATOM 641 CB THR A 44 -2.057 -8.211 1.436 1.00 0.00 C ATOM 642 OG1 THR A 44 -3.333 -7.608 1.375 1.00 0.00 O ATOM 643 CG2 THR A 44 -2.012 -9.376 0.440 1.00 0.00 C ATOM 0 H THR A 44 -1.299 -6.738 3.400 1.00 0.00 H new ATOM 0 HA THR A 44 -2.592 -9.398 3.097 1.00 0.00 H new ATOM 0 HB THR A 44 -1.277 -7.498 1.167 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.506 -7.299 0.461 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.201 -9.002 -0.566 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.029 -9.846 0.474 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.774 -10.110 0.703 1.00 0.00 H new ATOM 651 N VAL A 45 -0.455 -10.559 3.648 1.00 0.00 N ATOM 652 CA VAL A 45 0.734 -11.271 4.089 1.00 0.00 C ATOM 653 C VAL A 45 0.820 -12.606 3.356 1.00 0.00 C ATOM 654 O VAL A 45 -0.109 -13.407 3.444 1.00 0.00 O ATOM 655 CB VAL A 45 0.672 -11.514 5.611 1.00 0.00 C ATOM 656 CG1 VAL A 45 2.045 -11.987 6.107 1.00 0.00 C ATOM 657 CG2 VAL A 45 0.245 -10.270 6.402 1.00 0.00 C ATOM 0 H VAL A 45 -1.319 -11.060 3.852 1.00 0.00 H new ATOM 0 HA VAL A 45 1.617 -10.672 3.865 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.087 -12.277 5.782 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.004 -12.159 7.182 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.315 -12.914 5.601 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.793 -11.224 5.890 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.221 -10.506 7.466 1.00 0.00 H new ATOM 0 HG22 VAL A 45 0.957 -9.464 6.225 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.747 -9.955 6.077 1.00 0.00 H new ATOM 667 N GLU A 46 1.935 -12.843 2.655 1.00 0.00 N ATOM 668 CA GLU A 46 2.289 -14.138 2.092 1.00 0.00 C ATOM 669 C GLU A 46 3.238 -14.797 3.090 1.00 0.00 C ATOM 670 O GLU A 46 4.164 -14.142 3.569 1.00 0.00 O ATOM 671 CB GLU A 46 2.951 -13.952 0.725 1.00 0.00 C ATOM 672 CG GLU A 46 3.143 -15.290 0.004 1.00 0.00 C ATOM 673 CD GLU A 46 3.834 -15.081 -1.338 1.00 0.00 C ATOM 674 OE1 GLU A 46 3.111 -14.761 -2.307 1.00 0.00 O ATOM 675 OE2 GLU A 46 5.074 -15.241 -1.370 1.00 0.00 O ATOM 0 H GLU A 46 2.627 -12.119 2.463 1.00 0.00 H new ATOM 0 HA GLU A 46 1.412 -14.765 1.933 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.339 -13.292 0.111 1.00 0.00 H new ATOM 0 HB3 GLU A 46 3.918 -13.464 0.852 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.737 -15.962 0.624 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.176 -15.769 -0.149 1.00 0.00 H new ATOM 682 N TYR A 47 2.998 -16.067 3.431 1.00 0.00 N ATOM 683 CA TYR A 47 3.689 -16.738 4.521 1.00 0.00 C ATOM 684 C TYR A 47 3.817 -18.242 4.283 1.00 0.00 C ATOM 685 O TYR A 47 3.200 -18.793 3.372 1.00 0.00 O ATOM 686 CB TYR A 47 2.945 -16.454 5.833 1.00 0.00 C ATOM 687 CG TYR A 47 1.558 -17.070 5.894 1.00 0.00 C ATOM 688 CD1 TYR A 47 0.477 -16.430 5.261 1.00 0.00 C ATOM 689 CD2 TYR A 47 1.378 -18.350 6.450 1.00 0.00 C ATOM 690 CE1 TYR A 47 -0.760 -17.084 5.145 1.00 0.00 C ATOM 691 CE2 TYR A 47 0.137 -18.999 6.342 1.00 0.00 C ATOM 692 CZ TYR A 47 -0.927 -18.373 5.673 1.00 0.00 C ATOM 693 OH TYR A 47 -2.125 -19.012 5.533 1.00 0.00 O ATOM 0 H TYR A 47 2.315 -16.655 2.953 1.00 0.00 H new ATOM 0 HA TYR A 47 4.705 -16.346 4.579 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.538 -16.832 6.666 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.860 -15.375 5.966 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.599 -15.433 4.863 1.00 0.00 H new ATOM 0 HD2 TYR A 47 2.196 -18.835 6.961 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -1.584 -16.594 4.648 1.00 0.00 H new ATOM 0 HE2 TYR A 47 0.001 -19.980 6.774 1.00 0.00 H new ATOM 0 HH TYR A 47 -2.075 -19.896 5.953 1.00 0.00 H new ATOM 703 N ASP A 48 4.623 -18.893 5.136 1.00 0.00 N ATOM 704 CA ASP A 48 4.813 -20.335 5.180 1.00 0.00 C ATOM 705 C ASP A 48 4.012 -20.927 6.350 1.00 0.00 C ATOM 706 O ASP A 48 4.356 -20.649 7.498 1.00 0.00 O ATOM 707 CB ASP A 48 6.304 -20.649 5.338 1.00 0.00 C ATOM 708 CG ASP A 48 6.548 -22.155 5.312 1.00 0.00 C ATOM 709 OD1 ASP A 48 6.755 -22.685 4.199 1.00 0.00 O ATOM 710 OD2 ASP A 48 6.516 -22.750 6.410 1.00 0.00 O ATOM 0 H ASP A 48 5.178 -18.402 5.837 1.00 0.00 H new ATOM 0 HA ASP A 48 4.455 -20.781 4.252 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.867 -20.171 4.537 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.670 -20.233 6.277 1.00 0.00 H new ATOM 715 N PRO A 49 2.970 -21.740 6.088 1.00 0.00 N ATOM 716 CA PRO A 49 2.131 -22.390 7.095 1.00 0.00 C ATOM 717 C PRO A 49 2.880 -23.053 8.253 1.00 0.00 C ATOM 718 O PRO A 49 2.439 -22.963 9.398 1.00 0.00 O ATOM 719 CB PRO A 49 1.298 -23.418 6.331 1.00 0.00 C ATOM 720 CG PRO A 49 1.107 -22.728 4.988 1.00 0.00 C ATOM 721 CD PRO A 49 2.462 -22.060 4.763 1.00 0.00 C ATOM 0 HA PRO A 49 1.534 -21.626 7.593 1.00 0.00 H new ATOM 0 HB2 PRO A 49 1.817 -24.371 6.231 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.348 -23.622 6.824 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.869 -23.439 4.197 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.296 -22.000 5.017 1.00 0.00 H new ATOM 0 HD2 PRO A 49 3.143 -22.726 4.233 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.359 -21.161 4.156 1.00 0.00 H new ATOM 729 N LEU A 50 3.994 -23.734 7.962 1.00 0.00 N ATOM 730 CA LEU A 50 4.735 -24.500 8.957 1.00 0.00 C ATOM 731 C LEU A 50 5.401 -23.589 9.995 1.00 0.00 C ATOM 732 O LEU A 50 5.596 -24.008 11.134 1.00 0.00 O ATOM 733 CB LEU A 50 5.779 -25.403 8.282 1.00 0.00 C ATOM 734 CG LEU A 50 5.233 -26.253 7.121 1.00 0.00 C ATOM 735 CD1 LEU A 50 6.370 -27.095 6.536 1.00 0.00 C ATOM 736 CD2 LEU A 50 4.094 -27.175 7.572 1.00 0.00 C ATOM 0 H LEU A 50 4.403 -23.766 7.028 1.00 0.00 H new ATOM 0 HA LEU A 50 4.018 -25.130 9.484 1.00 0.00 H new ATOM 0 HB2 LEU A 50 6.592 -24.780 7.909 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.206 -26.068 9.033 1.00 0.00 H new ATOM 0 HG LEU A 50 4.832 -25.575 6.367 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.989 -27.699 5.713 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.158 -26.437 6.169 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.774 -27.749 7.309 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.738 -27.757 6.722 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.457 -27.850 8.347 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.275 -26.575 7.969 1.00 0.00 H new ATOM 748 N LEU A 51 5.754 -22.357 9.604 1.00 0.00 N ATOM 749 CA LEU A 51 6.493 -21.412 10.430 1.00 0.00 C ATOM 750 C LEU A 51 5.564 -20.377 11.074 1.00 0.00 C ATOM 751 O LEU A 51 5.813 -19.968 12.208 1.00 0.00 O ATOM 752 CB LEU A 51 7.574 -20.738 9.577 1.00 0.00 C ATOM 753 CG LEU A 51 8.672 -21.711 9.103 1.00 0.00 C ATOM 754 CD1 LEU A 51 9.550 -21.019 8.055 1.00 0.00 C ATOM 755 CD2 LEU A 51 9.560 -22.183 10.261 1.00 0.00 C ATOM 0 H LEU A 51 5.525 -21.988 8.681 1.00 0.00 H new ATOM 0 HA LEU A 51 6.968 -21.954 11.248 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.106 -20.278 8.707 1.00 0.00 H new ATOM 0 HB3 LEU A 51 8.034 -19.935 10.153 1.00 0.00 H new ATOM 0 HG LEU A 51 8.177 -22.584 8.677 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.326 -21.707 7.720 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.936 -20.722 7.205 1.00 0.00 H new ATOM 0 HD13 LEU A 51 10.013 -20.135 8.494 1.00 0.00 H new ATOM 0 HD21 LEU A 51 10.320 -22.867 9.882 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.044 -21.322 10.722 1.00 0.00 H new ATOM 0 HD23 LEU A 51 8.948 -22.696 11.003 1.00 0.00 H new ATOM 767 N THR A 52 4.503 -19.952 10.377 1.00 0.00 N ATOM 768 CA THR A 52 3.512 -19.016 10.903 1.00 0.00 C ATOM 769 C THR A 52 2.161 -19.259 10.227 1.00 0.00 C ATOM 770 O THR A 52 2.071 -20.034 9.279 1.00 0.00 O ATOM 771 CB THR A 52 4.016 -17.569 10.747 1.00 0.00 C ATOM 772 OG1 THR A 52 3.187 -16.672 11.456 1.00 0.00 O ATOM 773 CG2 THR A 52 4.063 -17.130 9.282 1.00 0.00 C ATOM 0 H THR A 52 4.310 -20.254 9.422 1.00 0.00 H new ATOM 0 HA THR A 52 3.367 -19.182 11.971 1.00 0.00 H new ATOM 0 HB THR A 52 5.028 -17.549 11.152 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.524 -15.758 11.346 1.00 0.00 H new ATOM 0 HG21 THR A 52 4.424 -16.103 9.221 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.735 -17.785 8.727 1.00 0.00 H new ATOM 0 HG23 THR A 52 3.063 -17.189 8.852 1.00 0.00 H new ATOM 781 N SER A 53 1.107 -18.606 10.725 1.00 0.00 N ATOM 782 CA SER A 53 -0.271 -18.812 10.304 1.00 0.00 C ATOM 783 C SER A 53 -1.057 -17.498 10.422 1.00 0.00 C ATOM 784 O SER A 53 -0.593 -16.574 11.091 1.00 0.00 O ATOM 785 CB SER A 53 -0.886 -19.910 11.184 1.00 0.00 C ATOM 786 OG SER A 53 -0.996 -19.465 12.522 1.00 0.00 O ATOM 0 H SER A 53 1.198 -17.899 11.454 1.00 0.00 H new ATOM 0 HA SER A 53 -0.309 -19.125 9.261 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.870 -20.182 10.802 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.268 -20.807 11.142 1.00 0.00 H new ATOM 0 HG SER A 53 -0.301 -18.799 12.703 1.00 0.00 H new ATOM 792 N PRO A 54 -2.245 -17.388 9.801 1.00 0.00 N ATOM 793 CA PRO A 54 -3.110 -16.223 9.930 1.00 0.00 C ATOM 794 C PRO A 54 -3.398 -15.876 11.392 1.00 0.00 C ATOM 795 O PRO A 54 -3.434 -14.702 11.749 1.00 0.00 O ATOM 796 CB PRO A 54 -4.394 -16.572 9.171 1.00 0.00 C ATOM 797 CG PRO A 54 -3.919 -17.592 8.140 1.00 0.00 C ATOM 798 CD PRO A 54 -2.867 -18.370 8.926 1.00 0.00 C ATOM 0 HA PRO A 54 -2.630 -15.335 9.518 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -5.152 -16.991 9.833 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.834 -15.694 8.697 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -4.730 -18.234 7.798 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -3.497 -17.113 7.256 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.321 -19.178 9.500 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.134 -18.825 8.260 1.00 0.00 H new ATOM 806 N GLU A 55 -3.590 -16.904 12.230 1.00 0.00 N ATOM 807 CA GLU A 55 -3.864 -16.761 13.651 1.00 0.00 C ATOM 808 C GLU A 55 -2.720 -16.026 14.354 1.00 0.00 C ATOM 809 O GLU A 55 -2.963 -15.049 15.059 1.00 0.00 O ATOM 810 CB GLU A 55 -4.045 -18.149 14.291 1.00 0.00 C ATOM 811 CG GLU A 55 -5.183 -18.986 13.690 1.00 0.00 C ATOM 812 CD GLU A 55 -6.556 -18.397 13.994 1.00 0.00 C ATOM 813 OE1 GLU A 55 -6.906 -18.357 15.193 1.00 0.00 O ATOM 814 OE2 GLU A 55 -7.237 -17.999 13.025 1.00 0.00 O ATOM 0 H GLU A 55 -3.557 -17.876 11.924 1.00 0.00 H new ATOM 0 HA GLU A 55 -4.779 -16.180 13.765 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -3.112 -18.704 14.193 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.229 -18.022 15.358 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -5.050 -19.054 12.610 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -5.131 -20.002 14.082 1.00 0.00 H new ATOM 821 N THR A 56 -1.478 -16.497 14.171 1.00 0.00 N ATOM 822 CA THR A 56 -0.303 -15.893 14.789 1.00 0.00 C ATOM 823 C THR A 56 -0.079 -14.467 14.287 1.00 0.00 C ATOM 824 O THR A 56 0.270 -13.593 15.075 1.00 0.00 O ATOM 825 CB THR A 56 0.949 -16.749 14.541 1.00 0.00 C ATOM 826 OG1 THR A 56 1.008 -17.199 13.209 1.00 0.00 O ATOM 827 CG2 THR A 56 0.979 -17.974 15.458 1.00 0.00 C ATOM 0 H THR A 56 -1.267 -17.308 13.589 1.00 0.00 H new ATOM 0 HA THR A 56 -0.486 -15.848 15.863 1.00 0.00 H new ATOM 0 HB THR A 56 1.805 -16.109 14.753 1.00 0.00 H new ATOM 0 HG1 THR A 56 1.853 -16.913 12.804 1.00 0.00 H new ATOM 0 HG21 THR A 56 1.877 -18.557 15.256 1.00 0.00 H new ATOM 0 HG22 THR A 56 0.983 -17.650 16.499 1.00 0.00 H new ATOM 0 HG23 THR A 56 0.098 -18.589 15.273 1.00 0.00 H new ATOM 835 N LEU A 57 -0.272 -14.234 12.985 1.00 0.00 N ATOM 836 CA LEU A 57 -0.059 -12.932 12.368 1.00 0.00 C ATOM 837 C LEU A 57 -1.077 -11.918 12.897 1.00 0.00 C ATOM 838 O LEU A 57 -0.698 -10.810 13.272 1.00 0.00 O ATOM 839 CB LEU A 57 -0.116 -13.081 10.842 1.00 0.00 C ATOM 840 CG LEU A 57 1.054 -13.926 10.303 1.00 0.00 C ATOM 841 CD1 LEU A 57 0.721 -14.414 8.888 1.00 0.00 C ATOM 842 CD2 LEU A 57 2.360 -13.124 10.267 1.00 0.00 C ATOM 0 H LEU A 57 -0.582 -14.952 12.330 1.00 0.00 H new ATOM 0 HA LEU A 57 0.927 -12.550 12.630 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.060 -13.545 10.558 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.094 -12.094 10.380 1.00 0.00 H new ATOM 0 HG LEU A 57 1.194 -14.774 10.974 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.548 -15.012 8.505 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.184 -15.022 8.916 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.561 -13.556 8.235 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.163 -13.753 9.881 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.236 -12.256 9.620 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.611 -12.792 11.274 1.00 0.00 H new ATOM 854 N ARG A 58 -2.356 -12.304 12.959 1.00 0.00 N ATOM 855 CA ARG A 58 -3.407 -11.529 13.609 1.00 0.00 C ATOM 856 C ARG A 58 -3.004 -11.228 15.054 1.00 0.00 C ATOM 857 O ARG A 58 -3.084 -10.082 15.489 1.00 0.00 O ATOM 858 CB ARG A 58 -4.721 -12.313 13.548 1.00 0.00 C ATOM 859 CG ARG A 58 -5.909 -11.513 14.102 1.00 0.00 C ATOM 860 CD ARG A 58 -7.137 -12.412 14.256 1.00 0.00 C ATOM 861 NE ARG A 58 -6.882 -13.460 15.253 1.00 0.00 N ATOM 862 CZ ARG A 58 -7.125 -14.776 15.123 1.00 0.00 C ATOM 863 NH1 ARG A 58 -7.769 -15.269 14.057 1.00 0.00 N ATOM 864 NH2 ARG A 58 -6.707 -15.612 16.082 1.00 0.00 N ATOM 0 H ARG A 58 -2.690 -13.177 12.552 1.00 0.00 H new ATOM 0 HA ARG A 58 -3.548 -10.579 13.094 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.926 -12.593 12.515 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -4.615 -13.239 14.114 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.645 -11.080 15.067 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -6.140 -10.684 13.433 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -7.997 -11.815 14.559 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -7.386 -12.866 13.297 1.00 0.00 H new ATOM 0 HE ARG A 58 -6.477 -13.157 16.139 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -8.088 -14.642 13.319 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -7.940 -16.272 13.983 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -6.212 -15.248 16.896 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -6.884 -16.613 15.998 1.00 0.00 H new ATOM 878 N GLY A 59 -2.558 -12.260 15.781 1.00 0.00 N ATOM 879 CA GLY A 59 -2.043 -12.150 17.139 1.00 0.00 C ATOM 880 C GLY A 59 -0.943 -11.093 17.268 1.00 0.00 C ATOM 881 O GLY A 59 -0.963 -10.306 18.210 1.00 0.00 O ATOM 0 H GLY A 59 -2.548 -13.216 15.426 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.861 -11.902 17.815 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.651 -13.117 17.454 1.00 0.00 H new ATOM 885 N ALA A 60 0.014 -11.071 16.330 1.00 0.00 N ATOM 886 CA ALA A 60 1.123 -10.127 16.331 1.00 0.00 C ATOM 887 C ALA A 60 0.624 -8.693 16.150 1.00 0.00 C ATOM 888 O ALA A 60 1.022 -7.805 16.899 1.00 0.00 O ATOM 889 CB ALA A 60 2.131 -10.503 15.242 1.00 0.00 C ATOM 0 H ALA A 60 0.033 -11.719 15.543 1.00 0.00 H new ATOM 0 HA ALA A 60 1.623 -10.178 17.298 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.957 -9.792 15.250 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.514 -11.506 15.431 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.641 -10.479 14.269 1.00 0.00 H new ATOM 895 N ILE A 61 -0.250 -8.467 15.165 1.00 0.00 N ATOM 896 CA ILE A 61 -0.839 -7.159 14.893 1.00 0.00 C ATOM 897 C ILE A 61 -1.614 -6.668 16.125 1.00 0.00 C ATOM 898 O ILE A 61 -1.490 -5.511 16.525 1.00 0.00 O ATOM 899 CB ILE A 61 -1.737 -7.251 13.645 1.00 0.00 C ATOM 900 CG1 ILE A 61 -0.928 -7.626 12.390 1.00 0.00 C ATOM 901 CG2 ILE A 61 -2.439 -5.911 13.397 1.00 0.00 C ATOM 902 CD1 ILE A 61 -1.798 -8.256 11.299 1.00 0.00 C ATOM 0 H ILE A 61 -0.570 -9.197 14.529 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.055 -6.430 14.689 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.473 -8.032 13.834 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.443 -6.734 11.994 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.136 -8.322 12.666 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.071 -5.989 12.512 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.054 -5.657 14.260 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.692 -5.132 13.242 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.179 -8.502 10.436 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.262 -9.165 11.683 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.574 -7.551 11.000 1.00 0.00 H new ATOM 914 N GLU A 62 -2.408 -7.561 16.727 1.00 0.00 N ATOM 915 CA GLU A 62 -3.173 -7.297 17.935 1.00 0.00 C ATOM 916 C GLU A 62 -2.246 -6.932 19.099 1.00 0.00 C ATOM 917 O GLU A 62 -2.538 -5.999 19.843 1.00 0.00 O ATOM 918 CB GLU A 62 -4.046 -8.521 18.243 1.00 0.00 C ATOM 919 CG GLU A 62 -5.023 -8.267 19.393 1.00 0.00 C ATOM 920 CD GLU A 62 -5.944 -9.468 19.587 1.00 0.00 C ATOM 921 OE1 GLU A 62 -5.532 -10.388 20.328 1.00 0.00 O ATOM 922 OE2 GLU A 62 -7.039 -9.449 18.985 1.00 0.00 O ATOM 0 H GLU A 62 -2.534 -8.509 16.373 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.826 -6.437 17.785 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.605 -8.799 17.350 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.406 -9.367 18.494 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.470 -8.073 20.312 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.616 -7.377 19.184 1.00 0.00 H new ATOM 929 N ASP A 63 -1.130 -7.656 19.247 1.00 0.00 N ATOM 930 CA ASP A 63 -0.127 -7.407 20.273 1.00 0.00 C ATOM 931 C ASP A 63 0.505 -6.023 20.102 1.00 0.00 C ATOM 932 O ASP A 63 0.668 -5.306 21.088 1.00 0.00 O ATOM 933 CB ASP A 63 0.929 -8.519 20.253 1.00 0.00 C ATOM 934 CG ASP A 63 1.979 -8.315 21.341 1.00 0.00 C ATOM 935 OD1 ASP A 63 1.675 -8.671 22.499 1.00 0.00 O ATOM 936 OD2 ASP A 63 3.067 -7.804 20.994 1.00 0.00 O ATOM 0 H ASP A 63 -0.901 -8.445 18.642 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.613 -7.416 21.249 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.444 -9.485 20.391 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.415 -8.543 19.277 1.00 0.00 H new ATOM 941 N MET A 64 0.848 -5.641 18.863 1.00 0.00 N ATOM 942 CA MET A 64 1.345 -4.302 18.557 1.00 0.00 C ATOM 943 C MET A 64 0.313 -3.241 18.951 1.00 0.00 C ATOM 944 O MET A 64 0.686 -2.205 19.499 1.00 0.00 O ATOM 945 CB MET A 64 1.739 -4.182 17.079 1.00 0.00 C ATOM 946 CG MET A 64 3.000 -4.992 16.762 1.00 0.00 C ATOM 947 SD MET A 64 3.577 -4.870 15.047 1.00 0.00 S ATOM 948 CE MET A 64 4.198 -3.168 15.047 1.00 0.00 C ATOM 0 H MET A 64 0.787 -6.254 18.050 1.00 0.00 H new ATOM 0 HA MET A 64 2.245 -4.129 19.147 1.00 0.00 H new ATOM 0 HB2 MET A 64 0.917 -4.529 16.454 1.00 0.00 H new ATOM 0 HB3 MET A 64 1.908 -3.134 16.831 1.00 0.00 H new ATOM 0 HG2 MET A 64 3.801 -4.663 17.424 1.00 0.00 H new ATOM 0 HG3 MET A 64 2.808 -6.040 16.991 1.00 0.00 H new ATOM 0 HE1 MET A 64 4.750 -2.982 14.126 1.00 0.00 H new ATOM 0 HE2 MET A 64 3.360 -2.475 15.114 1.00 0.00 H new ATOM 0 HE3 MET A 64 4.859 -3.022 15.901 1.00 0.00 H new ATOM 958 N GLY A 65 -0.975 -3.508 18.694 1.00 0.00 N ATOM 959 CA GLY A 65 -2.086 -2.711 19.196 1.00 0.00 C ATOM 960 C GLY A 65 -2.924 -2.131 18.065 1.00 0.00 C ATOM 961 O GLY A 65 -3.089 -0.914 17.985 1.00 0.00 O ATOM 0 H GLY A 65 -1.271 -4.298 18.121 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.717 -3.329 19.835 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.701 -1.901 19.815 1.00 0.00 H new ATOM 965 N PHE A 66 -3.464 -3.003 17.205 1.00 0.00 N ATOM 966 CA PHE A 66 -4.385 -2.632 16.138 1.00 0.00 C ATOM 967 C PHE A 66 -5.479 -3.692 16.035 1.00 0.00 C ATOM 968 O PHE A 66 -5.230 -4.863 16.317 1.00 0.00 O ATOM 969 CB PHE A 66 -3.628 -2.484 14.815 1.00 0.00 C ATOM 970 CG PHE A 66 -2.469 -1.511 14.869 1.00 0.00 C ATOM 971 CD1 PHE A 66 -2.725 -0.130 14.824 1.00 0.00 C ATOM 972 CD2 PHE A 66 -1.162 -1.974 15.114 1.00 0.00 C ATOM 973 CE1 PHE A 66 -1.678 0.788 15.002 1.00 0.00 C ATOM 974 CE2 PHE A 66 -0.112 -1.055 15.281 1.00 0.00 C ATOM 975 CZ PHE A 66 -0.368 0.326 15.220 1.00 0.00 C ATOM 0 H PHE A 66 -3.266 -4.003 17.237 1.00 0.00 H new ATOM 0 HA PHE A 66 -4.847 -1.671 16.363 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.253 -3.462 14.512 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -4.326 -2.158 14.044 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.730 0.226 14.652 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.967 -3.035 15.174 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.879 1.849 14.972 1.00 0.00 H new ATOM 0 HE2 PHE A 66 0.893 -1.410 15.456 1.00 0.00 H new ATOM 0 HZ PHE A 66 0.441 1.031 15.340 1.00 0.00 H new ATOM 985 N ASP A 67 -6.690 -3.284 15.636 1.00 0.00 N ATOM 986 CA ASP A 67 -7.837 -4.176 15.548 1.00 0.00 C ATOM 987 C ASP A 67 -7.687 -5.080 14.324 1.00 0.00 C ATOM 988 O ASP A 67 -8.038 -4.688 13.212 1.00 0.00 O ATOM 989 CB ASP A 67 -9.129 -3.353 15.511 1.00 0.00 C ATOM 990 CG ASP A 67 -10.359 -4.230 15.286 1.00 0.00 C ATOM 991 OD1 ASP A 67 -10.610 -5.091 16.157 1.00 0.00 O ATOM 992 OD2 ASP A 67 -11.023 -4.027 14.247 1.00 0.00 O ATOM 0 H ASP A 67 -6.895 -2.322 15.366 1.00 0.00 H new ATOM 0 HA ASP A 67 -7.886 -4.819 16.427 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -9.239 -2.808 16.449 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -9.063 -2.610 14.716 1.00 0.00 H new ATOM 997 N ALA A 68 -7.154 -6.286 14.552 1.00 0.00 N ATOM 998 CA ALA A 68 -6.834 -7.266 13.527 1.00 0.00 C ATOM 999 C ALA A 68 -7.932 -8.325 13.448 1.00 0.00 C ATOM 1000 O ALA A 68 -8.312 -8.890 14.474 1.00 0.00 O ATOM 1001 CB ALA A 68 -5.497 -7.918 13.883 1.00 0.00 C ATOM 0 H ALA A 68 -6.928 -6.611 15.492 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.763 -6.777 12.555 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.239 -8.657 13.125 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.720 -7.155 13.925 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -5.578 -8.407 14.854 1.00 0.00 H new ATOM 1007 N THR A 69 -8.432 -8.604 12.238 1.00 0.00 N ATOM 1008 CA THR A 69 -9.398 -9.669 12.001 1.00 0.00 C ATOM 1009 C THR A 69 -9.219 -10.224 10.589 1.00 0.00 C ATOM 1010 O THR A 69 -9.063 -9.462 9.639 1.00 0.00 O ATOM 1011 CB THR A 69 -10.830 -9.177 12.269 1.00 0.00 C ATOM 1012 OG1 THR A 69 -11.741 -10.246 12.116 1.00 0.00 O ATOM 1013 CG2 THR A 69 -11.264 -8.014 11.371 1.00 0.00 C ATOM 0 H THR A 69 -8.173 -8.091 11.395 1.00 0.00 H new ATOM 0 HA THR A 69 -9.218 -10.486 12.699 1.00 0.00 H new ATOM 0 HB THR A 69 -10.834 -8.803 13.293 1.00 0.00 H new ATOM 0 HG1 THR A 69 -12.651 -9.927 12.290 1.00 0.00 H new ATOM 0 HG21 THR A 69 -12.285 -7.723 11.620 1.00 0.00 H new ATOM 0 HG22 THR A 69 -10.597 -7.166 11.526 1.00 0.00 H new ATOM 0 HG23 THR A 69 -11.220 -8.324 10.327 1.00 0.00 H new ATOM 1021 N LEU A 70 -9.235 -11.555 10.451 1.00 0.00 N ATOM 1022 CA LEU A 70 -9.026 -12.229 9.176 1.00 0.00 C ATOM 1023 C LEU A 70 -10.163 -11.894 8.207 1.00 0.00 C ATOM 1024 O LEU A 70 -11.294 -11.668 8.639 1.00 0.00 O ATOM 1025 CB LEU A 70 -8.955 -13.753 9.373 1.00 0.00 C ATOM 1026 CG LEU A 70 -8.021 -14.227 10.501 1.00 0.00 C ATOM 1027 CD1 LEU A 70 -7.954 -15.757 10.506 1.00 0.00 C ATOM 1028 CD2 LEU A 70 -6.599 -13.677 10.373 1.00 0.00 C ATOM 0 H LEU A 70 -9.395 -12.194 11.230 1.00 0.00 H new ATOM 0 HA LEU A 70 -8.081 -11.881 8.760 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -9.960 -14.124 9.576 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -8.629 -14.209 8.438 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.441 -13.847 11.432 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.292 -16.090 11.306 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -8.952 -16.164 10.668 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -7.570 -16.108 9.548 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.990 -14.047 11.198 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.166 -14.003 9.427 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.626 -12.588 10.403 1.00 0.00 H new ATOM 1040 N SER A 71 -9.874 -11.885 6.899 1.00 0.00 N ATOM 1041 CA SER A 71 -10.896 -11.793 5.861 1.00 0.00 C ATOM 1042 C SER A 71 -11.524 -13.176 5.651 1.00 0.00 C ATOM 1043 O SER A 71 -11.406 -13.759 4.574 1.00 0.00 O ATOM 1044 CB SER A 71 -10.284 -11.247 4.565 1.00 0.00 C ATOM 1045 OG SER A 71 -9.736 -9.967 4.784 1.00 0.00 O ATOM 0 H SER A 71 -8.923 -11.942 6.536 1.00 0.00 H new ATOM 0 HA SER A 71 -11.680 -11.101 6.169 1.00 0.00 H new ATOM 0 HB2 SER A 71 -9.510 -11.925 4.207 1.00 0.00 H new ATOM 0 HB3 SER A 71 -11.047 -11.195 3.788 1.00 0.00 H new ATOM 0 HG SER A 71 -8.830 -10.057 5.146 1.00 0.00 H new ATOM 1051 N ASP A 72 -12.178 -13.696 6.694 1.00 0.00 N ATOM 1052 CA ASP A 72 -12.777 -15.021 6.720 1.00 0.00 C ATOM 1053 C ASP A 72 -13.786 -15.080 7.865 1.00 0.00 C ATOM 1054 O ASP A 72 -13.434 -14.583 8.957 1.00 0.00 O ATOM 1055 CB ASP A 72 -11.682 -16.080 6.901 1.00 0.00 C ATOM 1056 CG ASP A 72 -12.262 -17.491 6.950 1.00 0.00 C ATOM 1057 OD1 ASP A 72 -12.694 -17.966 5.879 1.00 0.00 O ATOM 1058 OD2 ASP A 72 -12.260 -18.073 8.058 1.00 0.00 O ATOM 1059 OXT ASP A 72 -14.889 -15.620 7.629 1.00 0.00 O ATOM 0 H ASP A 72 -12.306 -13.185 7.568 1.00 0.00 H new ATOM 0 HA ASP A 72 -13.291 -15.222 5.780 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -10.968 -16.009 6.081 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -11.132 -15.881 7.821 1.00 0.00 H new TER 1064 ASP A 72