USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 512 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 47 SER OG : rot -143:sc= -0.101 USER MOD Set 1.2: A 50 THR OG1 : rot 180:sc= 0.0451 USER MOD Set 2.1: A 17 SER OG : rot 38:sc= 0.586 USER MOD Set 2.2: A 19 HIS : no HE2:sc= 0.666 K(o=1.3,f=-2.2!) USER MOD Single : A 1 GLY N :NH3+ -175:sc= 0 (180deg=-0.0256) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 35:sc= 0.85 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.995 K(o=-0.99,f=-0.23) USER MOD Single : A 9 MET CE :methyl -176:sc= -4.8! (180deg=-5!) USER MOD Single : A 14 HIS : no HD1:sc= -2.55! C(o=-2.6!,f=-2.6!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= -0.394 USER MOD Single : A 27 GLN : amide:sc= -0.179 K(o=-0.18,f=-3.6!) USER MOD Single : A 28 LYS NZ :NH3+ 160:sc= -0.0258 (180deg=-0.244) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.197 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= -0.0131 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.997 -14.698 14.122 1.00 0.00 N ATOM 2 CA GLY A 1 6.887 -13.872 13.683 1.00 0.00 C ATOM 3 C GLY A 1 7.151 -13.210 12.345 1.00 0.00 C ATOM 4 O GLY A 1 6.268 -13.150 11.489 1.00 0.00 O ATOM 0 H1 GLY A 1 7.735 -15.195 14.998 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.225 -15.394 13.384 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.827 -14.098 14.300 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.988 -14.485 13.611 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.690 -13.105 14.432 1.00 0.00 H new ATOM 8 N SER A 2 8.369 -12.710 12.163 1.00 0.00 N ATOM 9 CA SER A 2 8.745 -12.045 10.921 1.00 0.00 C ATOM 10 C SER A 2 8.466 -12.941 9.719 1.00 0.00 C ATOM 11 O SER A 2 8.829 -14.117 9.709 1.00 0.00 O ATOM 12 CB SER A 2 10.226 -11.659 10.953 1.00 0.00 C ATOM 13 OG SER A 2 10.422 -10.446 11.657 1.00 0.00 O ATOM 0 H SER A 2 9.112 -12.753 12.860 1.00 0.00 H new ATOM 0 HA SER A 2 8.144 -11.141 10.825 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.802 -12.454 11.426 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.600 -11.556 9.934 1.00 0.00 H new ATOM 0 HG SER A 2 11.376 -10.223 11.664 1.00 0.00 H new ATOM 19 N SER A 3 7.819 -12.375 8.705 1.00 0.00 N ATOM 20 CA SER A 3 7.487 -13.122 7.497 1.00 0.00 C ATOM 21 C SER A 3 8.728 -13.342 6.637 1.00 0.00 C ATOM 22 O SER A 3 9.581 -12.463 6.520 1.00 0.00 O ATOM 23 CB SER A 3 6.418 -12.382 6.691 1.00 0.00 C ATOM 24 OG SER A 3 5.116 -12.742 7.120 1.00 0.00 O ATOM 0 H SER A 3 7.514 -11.402 8.696 1.00 0.00 H new ATOM 0 HA SER A 3 7.096 -14.095 7.797 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.556 -11.306 6.800 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.532 -12.612 5.632 1.00 0.00 H new ATOM 0 HG SER A 3 4.451 -12.254 6.591 1.00 0.00 H new ATOM 30 N GLY A 4 8.820 -14.524 6.034 1.00 0.00 N ATOM 31 CA GLY A 4 9.959 -14.840 5.192 1.00 0.00 C ATOM 32 C GLY A 4 10.181 -13.807 4.105 1.00 0.00 C ATOM 33 O GLY A 4 9.384 -12.882 3.946 1.00 0.00 O ATOM 0 H GLY A 4 8.126 -15.268 6.114 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.854 -14.911 5.809 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.808 -15.818 4.734 1.00 0.00 H new ATOM 37 N SER A 5 11.267 -13.962 3.356 1.00 0.00 N ATOM 38 CA SER A 5 11.595 -13.032 2.282 1.00 0.00 C ATOM 39 C SER A 5 10.331 -12.551 1.575 1.00 0.00 C ATOM 40 O SER A 5 9.696 -13.303 0.836 1.00 0.00 O ATOM 41 CB SER A 5 12.535 -13.694 1.273 1.00 0.00 C ATOM 42 OG SER A 5 11.929 -14.828 0.679 1.00 0.00 O ATOM 0 H SER A 5 11.936 -14.723 3.473 1.00 0.00 H new ATOM 0 HA SER A 5 12.096 -12.170 2.723 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.807 -12.976 0.499 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.458 -13.990 1.771 1.00 0.00 H new ATOM 0 HG SER A 5 10.970 -14.664 0.564 1.00 0.00 H new ATOM 48 N SER A 6 9.971 -11.293 1.809 1.00 0.00 N ATOM 49 CA SER A 6 8.781 -10.712 1.199 1.00 0.00 C ATOM 50 C SER A 6 9.130 -9.439 0.433 1.00 0.00 C ATOM 51 O SER A 6 10.209 -8.873 0.605 1.00 0.00 O ATOM 52 CB SER A 6 7.732 -10.405 2.269 1.00 0.00 C ATOM 53 OG SER A 6 6.443 -10.269 1.695 1.00 0.00 O ATOM 0 H SER A 6 10.487 -10.657 2.417 1.00 0.00 H new ATOM 0 HA SER A 6 8.371 -11.438 0.496 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.721 -11.203 3.011 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.999 -9.487 2.792 1.00 0.00 H new ATOM 0 HG SER A 6 5.790 -10.075 2.399 1.00 0.00 H new ATOM 59 N GLY A 7 8.208 -8.995 -0.415 1.00 0.00 N ATOM 60 CA GLY A 7 8.435 -7.793 -1.196 1.00 0.00 C ATOM 61 C GLY A 7 7.317 -7.522 -2.183 1.00 0.00 C ATOM 62 O GLY A 7 7.334 -8.030 -3.303 1.00 0.00 O ATOM 0 H GLY A 7 7.307 -9.446 -0.575 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.536 -6.941 -0.524 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.377 -7.887 -1.736 1.00 0.00 H new ATOM 66 N ASN A 8 6.342 -6.721 -1.766 1.00 0.00 N ATOM 67 CA ASN A 8 5.210 -6.386 -2.622 1.00 0.00 C ATOM 68 C ASN A 8 5.112 -4.877 -2.829 1.00 0.00 C ATOM 69 O ASN A 8 4.968 -4.118 -1.871 1.00 0.00 O ATOM 70 CB ASN A 8 3.910 -6.914 -2.012 1.00 0.00 C ATOM 71 CG ASN A 8 3.954 -6.948 -0.497 1.00 0.00 C ATOM 72 OD1 ASN A 8 4.108 -8.010 0.107 1.00 0.00 O ATOM 73 ND2 ASN A 8 3.818 -5.783 0.125 1.00 0.00 N ATOM 0 H ASN A 8 6.313 -6.292 -0.841 1.00 0.00 H new ATOM 0 HA ASN A 8 5.367 -6.858 -3.592 1.00 0.00 H new ATOM 0 HB2 ASN A 8 3.079 -6.286 -2.335 1.00 0.00 H new ATOM 0 HB3 ASN A 8 3.716 -7.918 -2.390 1.00 0.00 H new ATOM 0 HD21 ASN A 8 3.839 -5.743 1.144 1.00 0.00 H new ATOM 0 HD22 ASN A 8 3.693 -4.928 -0.416 1.00 0.00 H new ATOM 80 N MET A 9 5.190 -4.452 -4.085 1.00 0.00 N ATOM 81 CA MET A 9 5.108 -3.034 -4.418 1.00 0.00 C ATOM 82 C MET A 9 3.752 -2.696 -5.029 1.00 0.00 C ATOM 83 O MET A 9 3.187 -3.487 -5.785 1.00 0.00 O ATOM 84 CB MET A 9 6.227 -2.650 -5.387 1.00 0.00 C ATOM 85 CG MET A 9 7.590 -2.528 -4.725 1.00 0.00 C ATOM 86 SD MET A 9 7.947 -0.849 -4.174 1.00 0.00 S ATOM 87 CE MET A 9 6.353 -0.363 -3.516 1.00 0.00 C ATOM 0 H MET A 9 5.310 -5.068 -4.889 1.00 0.00 H new ATOM 0 HA MET A 9 5.224 -2.463 -3.497 1.00 0.00 H new ATOM 0 HB2 MET A 9 6.283 -3.397 -6.179 1.00 0.00 H new ATOM 0 HB3 MET A 9 5.976 -1.701 -5.861 1.00 0.00 H new ATOM 0 HG2 MET A 9 7.637 -3.204 -3.871 1.00 0.00 H new ATOM 0 HG3 MET A 9 8.360 -2.847 -5.427 1.00 0.00 H new ATOM 0 HE1 MET A 9 6.392 0.680 -3.200 1.00 0.00 H new ATOM 0 HE2 MET A 9 5.590 -0.480 -4.286 1.00 0.00 H new ATOM 0 HE3 MET A 9 6.105 -0.992 -2.661 1.00 0.00 H new ATOM 97 N PHE A 10 3.235 -1.518 -4.697 1.00 0.00 N ATOM 98 CA PHE A 10 1.944 -1.077 -5.212 1.00 0.00 C ATOM 99 C PHE A 10 1.851 0.446 -5.213 1.00 0.00 C ATOM 100 O PHE A 10 2.336 1.110 -4.296 1.00 0.00 O ATOM 101 CB PHE A 10 0.808 -1.669 -4.375 1.00 0.00 C ATOM 102 CG PHE A 10 0.498 -3.100 -4.711 1.00 0.00 C ATOM 103 CD1 PHE A 10 1.183 -4.134 -4.094 1.00 0.00 C ATOM 104 CD2 PHE A 10 -0.478 -3.410 -5.644 1.00 0.00 C ATOM 105 CE1 PHE A 10 0.901 -5.451 -4.402 1.00 0.00 C ATOM 106 CE2 PHE A 10 -0.765 -4.726 -5.956 1.00 0.00 C ATOM 107 CZ PHE A 10 -0.075 -5.748 -5.333 1.00 0.00 C ATOM 0 H PHE A 10 3.690 -0.851 -4.074 1.00 0.00 H new ATOM 0 HA PHE A 10 1.850 -1.430 -6.239 1.00 0.00 H new ATOM 0 HB2 PHE A 10 1.072 -1.601 -3.320 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.090 -1.068 -4.519 1.00 0.00 H new ATOM 0 HD1 PHE A 10 1.946 -3.908 -3.364 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.021 -2.615 -6.133 1.00 0.00 H new ATOM 0 HE1 PHE A 10 1.443 -6.248 -3.915 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -1.528 -4.955 -6.686 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.298 -6.777 -5.573 1.00 0.00 H new ATOM 117 N VAL A 11 1.223 0.994 -6.249 1.00 0.00 N ATOM 118 CA VAL A 11 1.065 2.438 -6.370 1.00 0.00 C ATOM 119 C VAL A 11 -0.381 2.855 -6.123 1.00 0.00 C ATOM 120 O VAL A 11 -1.273 2.013 -6.028 1.00 0.00 O ATOM 121 CB VAL A 11 1.501 2.936 -7.761 1.00 0.00 C ATOM 122 CG1 VAL A 11 1.727 4.440 -7.743 1.00 0.00 C ATOM 123 CG2 VAL A 11 2.754 2.205 -8.219 1.00 0.00 C ATOM 0 H VAL A 11 0.816 0.459 -7.016 1.00 0.00 H new ATOM 0 HA VAL A 11 1.705 2.891 -5.613 1.00 0.00 H new ATOM 0 HB VAL A 11 0.703 2.722 -8.472 1.00 0.00 H new ATOM 0 HG11 VAL A 11 2.034 4.774 -8.734 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.802 4.944 -7.461 1.00 0.00 H new ATOM 0 HG13 VAL A 11 2.507 4.682 -7.021 1.00 0.00 H new ATOM 0 HG21 VAL A 11 3.048 2.569 -9.203 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.561 2.386 -7.509 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.552 1.135 -8.273 1.00 0.00 H new ATOM 133 N ALA A 12 -0.605 4.161 -6.022 1.00 0.00 N ATOM 134 CA ALA A 12 -1.943 4.691 -5.789 1.00 0.00 C ATOM 135 C ALA A 12 -2.571 5.185 -7.088 1.00 0.00 C ATOM 136 O ALA A 12 -3.511 4.579 -7.605 1.00 0.00 O ATOM 137 CB ALA A 12 -1.895 5.813 -4.763 1.00 0.00 C ATOM 0 H ALA A 12 0.123 4.872 -6.098 1.00 0.00 H new ATOM 0 HA ALA A 12 -2.564 3.884 -5.399 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -2.901 6.199 -4.599 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.496 5.430 -3.824 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -1.254 6.615 -5.130 1.00 0.00 H new ATOM 143 N LEU A 13 -2.049 6.289 -7.610 1.00 0.00 N ATOM 144 CA LEU A 13 -2.559 6.866 -8.848 1.00 0.00 C ATOM 145 C LEU A 13 -3.894 7.565 -8.614 1.00 0.00 C ATOM 146 O LEU A 13 -4.702 7.708 -9.532 1.00 0.00 O ATOM 147 CB LEU A 13 -2.720 5.778 -9.912 1.00 0.00 C ATOM 148 CG LEU A 13 -1.629 4.708 -9.948 1.00 0.00 C ATOM 149 CD1 LEU A 13 -1.939 3.664 -11.009 1.00 0.00 C ATOM 150 CD2 LEU A 13 -0.269 5.341 -10.202 1.00 0.00 C ATOM 0 H LEU A 13 -1.272 6.803 -7.195 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.839 7.606 -9.199 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.680 5.285 -9.756 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.763 6.258 -10.890 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.602 4.213 -8.977 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.151 2.911 -11.020 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.893 3.188 -10.783 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.995 4.144 -11.986 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.495 4.564 -10.224 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.284 5.863 -11.159 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.043 6.050 -9.405 1.00 0.00 H new ATOM 162 N HIS A 14 -4.119 8.001 -7.378 1.00 0.00 N ATOM 163 CA HIS A 14 -5.356 8.689 -7.024 1.00 0.00 C ATOM 164 C HIS A 14 -5.244 9.331 -5.644 1.00 0.00 C ATOM 165 O HIS A 14 -4.543 8.825 -4.766 1.00 0.00 O ATOM 166 CB HIS A 14 -6.532 7.713 -7.051 1.00 0.00 C ATOM 167 CG HIS A 14 -7.076 7.468 -8.424 1.00 0.00 C ATOM 168 ND1 HIS A 14 -7.525 8.479 -9.247 1.00 0.00 N ATOM 169 CD2 HIS A 14 -7.240 6.318 -9.120 1.00 0.00 C ATOM 170 CE1 HIS A 14 -7.944 7.962 -10.389 1.00 0.00 C ATOM 171 NE2 HIS A 14 -7.781 6.652 -10.337 1.00 0.00 N ATOM 0 H HIS A 14 -3.462 7.890 -6.606 1.00 0.00 H new ATOM 0 HA HIS A 14 -5.529 9.475 -7.759 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -6.215 6.763 -6.620 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -7.330 8.100 -6.417 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -6.991 5.323 -8.781 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -8.350 8.516 -11.222 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -8.019 5.995 -11.080 1.00 0.00 H new ATOM 180 N THR A 15 -5.938 10.450 -5.459 1.00 0.00 N ATOM 181 CA THR A 15 -5.914 11.162 -4.188 1.00 0.00 C ATOM 182 C THR A 15 -7.138 10.823 -3.345 1.00 0.00 C ATOM 183 O THR A 15 -8.223 11.363 -3.563 1.00 0.00 O ATOM 184 CB THR A 15 -5.858 12.687 -4.400 1.00 0.00 C ATOM 185 OG1 THR A 15 -4.837 13.012 -5.349 1.00 0.00 O ATOM 186 CG2 THR A 15 -5.584 13.406 -3.087 1.00 0.00 C ATOM 0 H THR A 15 -6.523 10.882 -6.174 1.00 0.00 H new ATOM 0 HA THR A 15 -5.014 10.842 -3.663 1.00 0.00 H new ATOM 0 HB THR A 15 -6.825 13.015 -4.781 1.00 0.00 H new ATOM 0 HG1 THR A 15 -4.809 13.983 -5.480 1.00 0.00 H new ATOM 0 HG21 THR A 15 -5.549 14.481 -3.261 1.00 0.00 H new ATOM 0 HG22 THR A 15 -6.378 13.180 -2.376 1.00 0.00 H new ATOM 0 HG23 THR A 15 -4.628 13.073 -2.682 1.00 0.00 H new ATOM 194 N TYR A 16 -6.957 9.926 -2.382 1.00 0.00 N ATOM 195 CA TYR A 16 -8.048 9.514 -1.507 1.00 0.00 C ATOM 196 C TYR A 16 -7.849 10.056 -0.095 1.00 0.00 C ATOM 197 O TYR A 16 -6.895 9.693 0.592 1.00 0.00 O ATOM 198 CB TYR A 16 -8.151 7.988 -1.470 1.00 0.00 C ATOM 199 CG TYR A 16 -9.305 7.479 -0.636 1.00 0.00 C ATOM 200 CD1 TYR A 16 -9.205 7.393 0.747 1.00 0.00 C ATOM 201 CD2 TYR A 16 -10.496 7.084 -1.233 1.00 0.00 C ATOM 202 CE1 TYR A 16 -10.257 6.928 1.512 1.00 0.00 C ATOM 203 CE2 TYR A 16 -11.554 6.619 -0.475 1.00 0.00 C ATOM 204 CZ TYR A 16 -11.429 6.542 0.896 1.00 0.00 C ATOM 205 OH TYR A 16 -12.480 6.079 1.655 1.00 0.00 O ATOM 0 H TYR A 16 -6.065 9.470 -2.188 1.00 0.00 H new ATOM 0 HA TYR A 16 -8.975 9.925 -1.907 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -8.257 7.615 -2.489 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -7.221 7.579 -1.076 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -8.289 7.695 1.232 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -10.597 7.141 -2.307 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -10.162 6.867 2.586 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -12.474 6.318 -0.954 1.00 0.00 H new ATOM 0 HH TYR A 16 -13.231 5.850 1.069 1.00 0.00 H new ATOM 215 N SER A 17 -8.758 10.927 0.331 1.00 0.00 N ATOM 216 CA SER A 17 -8.682 11.523 1.659 1.00 0.00 C ATOM 217 C SER A 17 -9.338 10.620 2.698 1.00 0.00 C ATOM 218 O SER A 17 -10.558 10.460 2.715 1.00 0.00 O ATOM 219 CB SER A 17 -9.354 12.898 1.664 1.00 0.00 C ATOM 220 OG SER A 17 -10.724 12.796 1.319 1.00 0.00 O ATOM 0 H SER A 17 -9.556 11.236 -0.225 1.00 0.00 H new ATOM 0 HA SER A 17 -7.630 11.640 1.918 1.00 0.00 H new ATOM 0 HB2 SER A 17 -9.257 13.350 2.651 1.00 0.00 H new ATOM 0 HB3 SER A 17 -8.846 13.557 0.960 1.00 0.00 H new ATOM 0 HG SER A 17 -11.101 11.982 1.714 1.00 0.00 H new ATOM 226 N ALA A 18 -8.519 10.031 3.564 1.00 0.00 N ATOM 227 CA ALA A 18 -9.019 9.145 4.608 1.00 0.00 C ATOM 228 C ALA A 18 -10.071 9.843 5.463 1.00 0.00 C ATOM 229 O ALA A 18 -9.843 10.941 5.973 1.00 0.00 O ATOM 230 CB ALA A 18 -7.872 8.653 5.477 1.00 0.00 C ATOM 0 H ALA A 18 -7.506 10.152 3.563 1.00 0.00 H new ATOM 0 HA ALA A 18 -9.490 8.287 4.127 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -8.260 7.992 6.252 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -7.157 8.108 4.861 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -7.376 9.505 5.941 1.00 0.00 H new ATOM 236 N HIS A 19 -11.225 9.201 5.615 1.00 0.00 N ATOM 237 CA HIS A 19 -12.313 9.762 6.409 1.00 0.00 C ATOM 238 C HIS A 19 -12.485 8.991 7.715 1.00 0.00 C ATOM 239 O HIS A 19 -13.004 9.523 8.697 1.00 0.00 O ATOM 240 CB HIS A 19 -13.618 9.737 5.614 1.00 0.00 C ATOM 241 CG HIS A 19 -13.793 10.922 4.714 1.00 0.00 C ATOM 242 ND1 HIS A 19 -12.760 11.470 3.982 1.00 0.00 N ATOM 243 CD2 HIS A 19 -14.889 11.662 4.427 1.00 0.00 C ATOM 244 CE1 HIS A 19 -13.214 12.498 3.287 1.00 0.00 C ATOM 245 NE2 HIS A 19 -14.503 12.635 3.538 1.00 0.00 N ATOM 0 H HIS A 19 -11.431 8.293 5.199 1.00 0.00 H new ATOM 0 HA HIS A 19 -12.061 10.795 6.647 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -13.651 8.827 5.014 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -14.457 9.692 6.309 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -11.797 11.134 3.978 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -15.883 11.515 4.823 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -12.630 13.121 2.626 1.00 0.00 H new ATOM 254 N ARG A 20 -12.046 7.737 7.719 1.00 0.00 N ATOM 255 CA ARG A 20 -12.154 6.893 8.903 1.00 0.00 C ATOM 256 C ARG A 20 -10.772 6.494 9.413 1.00 0.00 C ATOM 257 O ARG A 20 -9.773 6.571 8.698 1.00 0.00 O ATOM 258 CB ARG A 20 -12.975 5.641 8.590 1.00 0.00 C ATOM 259 CG ARG A 20 -14.465 5.812 8.840 1.00 0.00 C ATOM 260 CD ARG A 20 -15.124 4.490 9.203 1.00 0.00 C ATOM 261 NE ARG A 20 -16.529 4.660 9.561 1.00 0.00 N ATOM 262 CZ ARG A 20 -17.501 4.815 8.669 1.00 0.00 C ATOM 263 NH1 ARG A 20 -17.221 4.822 7.373 1.00 0.00 N ATOM 264 NH2 ARG A 20 -18.756 4.964 9.073 1.00 0.00 N ATOM 0 H ARG A 20 -11.612 7.283 6.915 1.00 0.00 H new ATOM 0 HA ARG A 20 -12.659 7.465 9.682 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -12.819 5.366 7.547 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -12.606 4.814 9.196 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -14.620 6.530 9.645 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -14.940 6.224 7.949 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -15.045 3.802 8.361 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -14.590 4.035 10.037 1.00 0.00 H new ATOM 0 HE ARG A 20 -16.778 4.660 10.550 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -16.257 4.708 7.059 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -17.969 4.941 6.690 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -18.975 4.960 10.069 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -19.502 5.083 8.387 1.00 0.00 H new ATOM 278 N PRO A 21 -10.713 6.057 10.680 1.00 0.00 N ATOM 279 CA PRO A 21 -9.460 5.638 11.315 1.00 0.00 C ATOM 280 C PRO A 21 -8.926 4.332 10.736 1.00 0.00 C ATOM 281 O PRO A 21 -7.906 3.813 11.189 1.00 0.00 O ATOM 282 CB PRO A 21 -9.850 5.452 12.783 1.00 0.00 C ATOM 283 CG PRO A 21 -11.311 5.161 12.752 1.00 0.00 C ATOM 284 CD PRO A 21 -11.864 5.939 11.590 1.00 0.00 C ATOM 0 HA PRO A 21 -8.662 6.365 11.161 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -9.293 4.634 13.240 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -9.637 6.348 13.366 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -11.494 4.093 12.629 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -11.788 5.461 13.685 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -12.698 5.419 11.118 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -12.233 6.917 11.900 1.00 0.00 H new ATOM 292 N GLU A 22 -9.622 3.806 9.732 1.00 0.00 N ATOM 293 CA GLU A 22 -9.216 2.560 9.093 1.00 0.00 C ATOM 294 C GLU A 22 -8.807 2.801 7.643 1.00 0.00 C ATOM 295 O GLU A 22 -8.050 2.022 7.064 1.00 0.00 O ATOM 296 CB GLU A 22 -10.354 1.538 9.150 1.00 0.00 C ATOM 297 CG GLU A 22 -11.593 1.963 8.380 1.00 0.00 C ATOM 298 CD GLU A 22 -12.844 1.241 8.843 1.00 0.00 C ATOM 299 OE1 GLU A 22 -12.842 0.723 9.979 1.00 0.00 O ATOM 300 OE2 GLU A 22 -13.822 1.193 8.069 1.00 0.00 O ATOM 0 H GLU A 22 -10.468 4.223 9.345 1.00 0.00 H new ATOM 0 HA GLU A 22 -8.356 2.167 9.635 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.998 0.588 8.753 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -10.625 1.366 10.192 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.735 3.038 8.493 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.440 1.772 7.318 1.00 0.00 H new ATOM 307 N GLU A 23 -9.313 3.885 7.063 1.00 0.00 N ATOM 308 CA GLU A 23 -9.000 4.227 5.681 1.00 0.00 C ATOM 309 C GLU A 23 -7.584 4.783 5.565 1.00 0.00 C ATOM 310 O GLU A 23 -7.053 5.364 6.512 1.00 0.00 O ATOM 311 CB GLU A 23 -10.006 5.249 5.145 1.00 0.00 C ATOM 312 CG GLU A 23 -11.380 4.662 4.867 1.00 0.00 C ATOM 313 CD GLU A 23 -12.418 5.725 4.565 1.00 0.00 C ATOM 314 OE1 GLU A 23 -12.024 6.857 4.217 1.00 0.00 O ATOM 315 OE2 GLU A 23 -13.625 5.423 4.677 1.00 0.00 O ATOM 0 H GLU A 23 -9.941 4.541 7.528 1.00 0.00 H new ATOM 0 HA GLU A 23 -9.064 3.317 5.085 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -10.106 6.061 5.866 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.614 5.685 4.226 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -11.313 3.975 4.024 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -11.703 4.079 5.729 1.00 0.00 H new ATOM 322 N LEU A 24 -6.977 4.601 4.397 1.00 0.00 N ATOM 323 CA LEU A 24 -5.622 5.083 4.155 1.00 0.00 C ATOM 324 C LEU A 24 -5.622 6.225 3.144 1.00 0.00 C ATOM 325 O LEU A 24 -6.251 6.133 2.089 1.00 0.00 O ATOM 326 CB LEU A 24 -4.735 3.942 3.653 1.00 0.00 C ATOM 327 CG LEU A 24 -3.245 4.058 3.977 1.00 0.00 C ATOM 328 CD1 LEU A 24 -2.490 2.846 3.453 1.00 0.00 C ATOM 329 CD2 LEU A 24 -2.671 5.340 3.393 1.00 0.00 C ATOM 0 H LEU A 24 -7.402 4.123 3.603 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.223 5.457 5.098 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.106 3.008 4.074 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.847 3.871 2.571 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.129 4.092 5.060 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.431 2.945 3.692 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.884 1.943 3.919 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.613 2.780 2.372 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.610 5.406 3.633 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.798 5.336 2.310 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.193 6.198 3.816 1.00 0.00 H new ATOM 341 N ASP A 25 -4.912 7.299 3.471 1.00 0.00 N ATOM 342 CA ASP A 25 -4.827 8.457 2.590 1.00 0.00 C ATOM 343 C ASP A 25 -3.912 8.172 1.403 1.00 0.00 C ATOM 344 O ASP A 25 -2.698 8.040 1.560 1.00 0.00 O ATOM 345 CB ASP A 25 -4.317 9.675 3.361 1.00 0.00 C ATOM 346 CG ASP A 25 -5.157 9.978 4.587 1.00 0.00 C ATOM 347 OD1 ASP A 25 -4.851 9.429 5.666 1.00 0.00 O ATOM 348 OD2 ASP A 25 -6.121 10.763 4.467 1.00 0.00 O ATOM 0 H ASP A 25 -4.387 7.391 4.340 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.827 8.668 2.212 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -3.285 9.503 3.665 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -4.314 10.543 2.702 1.00 0.00 H new ATOM 353 N LEU A 26 -4.503 8.076 0.217 1.00 0.00 N ATOM 354 CA LEU A 26 -3.741 7.805 -0.997 1.00 0.00 C ATOM 355 C LEU A 26 -3.335 9.104 -1.687 1.00 0.00 C ATOM 356 O LEU A 26 -4.054 10.101 -1.625 1.00 0.00 O ATOM 357 CB LEU A 26 -4.562 6.941 -1.956 1.00 0.00 C ATOM 358 CG LEU A 26 -5.257 5.727 -1.337 1.00 0.00 C ATOM 359 CD1 LEU A 26 -6.091 5.000 -2.380 1.00 0.00 C ATOM 360 CD2 LEU A 26 -4.234 4.785 -0.718 1.00 0.00 C ATOM 0 H LEU A 26 -5.507 8.182 0.070 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.836 7.266 -0.715 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.320 7.570 -2.422 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.905 6.592 -2.752 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.923 6.077 -0.548 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -6.578 4.139 -1.921 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -6.848 5.676 -2.777 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.446 4.662 -3.191 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.746 3.927 -0.282 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.542 4.442 -1.488 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.680 5.310 0.060 1.00 0.00 H new ATOM 372 N GLN A 27 -2.181 9.082 -2.345 1.00 0.00 N ATOM 373 CA GLN A 27 -1.681 10.258 -3.048 1.00 0.00 C ATOM 374 C GLN A 27 -1.195 9.891 -4.446 1.00 0.00 C ATOM 375 O GLN A 27 -0.150 9.260 -4.607 1.00 0.00 O ATOM 376 CB GLN A 27 -0.545 10.908 -2.255 1.00 0.00 C ATOM 377 CG GLN A 27 -0.965 11.390 -0.875 1.00 0.00 C ATOM 378 CD GLN A 27 -0.092 12.517 -0.361 1.00 0.00 C ATOM 379 OE1 GLN A 27 0.893 12.285 0.341 1.00 0.00 O ATOM 380 NE2 GLN A 27 -0.449 13.748 -0.708 1.00 0.00 N ATOM 0 H GLN A 27 -1.575 8.264 -2.406 1.00 0.00 H new ATOM 0 HA GLN A 27 -2.502 10.969 -3.143 1.00 0.00 H new ATOM 0 HB2 GLN A 27 0.269 10.191 -2.148 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -0.154 11.752 -2.822 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -2.001 11.726 -0.911 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -0.925 10.556 -0.175 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -1.273 13.895 -1.291 1.00 0.00 H new ATOM 0 HE22 GLN A 27 0.101 14.547 -0.391 1.00 0.00 H new ATOM 389 N LYS A 28 -1.961 10.290 -5.456 1.00 0.00 N ATOM 390 CA LYS A 28 -1.609 10.004 -6.842 1.00 0.00 C ATOM 391 C LYS A 28 -0.097 10.037 -7.038 1.00 0.00 C ATOM 392 O LYS A 28 0.527 11.094 -6.954 1.00 0.00 O ATOM 393 CB LYS A 28 -2.277 11.014 -7.778 1.00 0.00 C ATOM 394 CG LYS A 28 -2.390 10.531 -9.214 1.00 0.00 C ATOM 395 CD LYS A 28 -2.421 11.693 -10.192 1.00 0.00 C ATOM 396 CE LYS A 28 -3.156 11.324 -11.472 1.00 0.00 C ATOM 397 NZ LYS A 28 -4.620 11.174 -11.248 1.00 0.00 N ATOM 0 H LYS A 28 -2.829 10.812 -5.341 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.967 9.003 -7.082 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.274 11.242 -7.401 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -1.709 11.944 -7.760 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.547 9.880 -9.447 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.295 9.934 -9.328 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.908 12.550 -9.726 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.402 11.996 -10.431 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.981 12.092 -12.225 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.752 10.392 -11.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.121 11.261 -12.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -4.814 10.240 -10.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.950 11.916 -10.598 1.00 0.00 H new ATOM 411 N GLY A 29 0.487 8.872 -7.301 1.00 0.00 N ATOM 412 CA GLY A 29 1.922 8.791 -7.506 1.00 0.00 C ATOM 413 C GLY A 29 2.675 8.502 -6.223 1.00 0.00 C ATOM 414 O GLY A 29 3.731 9.082 -5.972 1.00 0.00 O ATOM 0 H GLY A 29 -0.007 7.983 -7.376 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.138 8.010 -8.235 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.279 9.730 -7.930 1.00 0.00 H new ATOM 418 N GLU A 30 2.130 7.604 -5.408 1.00 0.00 N ATOM 419 CA GLU A 30 2.758 7.242 -4.142 1.00 0.00 C ATOM 420 C GLU A 30 2.863 5.726 -4.001 1.00 0.00 C ATOM 421 O GLU A 30 1.970 4.990 -4.418 1.00 0.00 O ATOM 422 CB GLU A 30 1.963 7.821 -2.969 1.00 0.00 C ATOM 423 CG GLU A 30 0.735 7.004 -2.605 1.00 0.00 C ATOM 424 CD GLU A 30 0.143 7.405 -1.268 1.00 0.00 C ATOM 425 OE1 GLU A 30 0.554 8.454 -0.729 1.00 0.00 O ATOM 426 OE2 GLU A 30 -0.730 6.671 -0.760 1.00 0.00 O ATOM 0 H GLU A 30 1.256 7.114 -5.601 1.00 0.00 H new ATOM 0 HA GLU A 30 3.764 7.661 -4.132 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.615 7.890 -2.098 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.653 8.836 -3.217 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.020 7.123 -3.383 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.001 5.947 -2.578 1.00 0.00 H new ATOM 433 N GLY A 31 3.963 5.268 -3.410 1.00 0.00 N ATOM 434 CA GLY A 31 4.166 3.843 -3.225 1.00 0.00 C ATOM 435 C GLY A 31 3.432 3.305 -2.013 1.00 0.00 C ATOM 436 O GLY A 31 3.175 4.040 -1.059 1.00 0.00 O ATOM 0 H GLY A 31 4.716 5.858 -3.056 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.828 3.313 -4.115 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.232 3.642 -3.119 1.00 0.00 H new ATOM 440 N ILE A 32 3.093 2.021 -2.049 1.00 0.00 N ATOM 441 CA ILE A 32 2.384 1.387 -0.945 1.00 0.00 C ATOM 442 C ILE A 32 2.783 -0.079 -0.805 1.00 0.00 C ATOM 443 O ILE A 32 2.981 -0.776 -1.800 1.00 0.00 O ATOM 444 CB ILE A 32 0.858 1.477 -1.130 1.00 0.00 C ATOM 445 CG1 ILE A 32 0.434 2.930 -1.354 1.00 0.00 C ATOM 446 CG2 ILE A 32 0.142 0.891 0.078 1.00 0.00 C ATOM 447 CD1 ILE A 32 -0.991 3.076 -1.839 1.00 0.00 C ATOM 0 H ILE A 32 3.298 1.399 -2.831 1.00 0.00 H new ATOM 0 HA ILE A 32 2.664 1.925 -0.040 1.00 0.00 H new ATOM 0 HB ILE A 32 0.579 0.897 -2.010 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.550 3.482 -0.421 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.105 3.388 -2.081 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.936 0.962 -0.068 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.424 -0.155 0.196 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.424 1.446 0.973 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.222 4.132 -1.976 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.108 2.553 -2.788 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.672 2.648 -1.103 1.00 0.00 H new ATOM 459 N ARG A 33 2.896 -0.539 0.436 1.00 0.00 N ATOM 460 CA ARG A 33 3.270 -1.922 0.707 1.00 0.00 C ATOM 461 C ARG A 33 2.081 -2.712 1.246 1.00 0.00 C ATOM 462 O ARG A 33 1.754 -2.631 2.430 1.00 0.00 O ATOM 463 CB ARG A 33 4.426 -1.974 1.707 1.00 0.00 C ATOM 464 CG ARG A 33 5.329 -3.185 1.532 1.00 0.00 C ATOM 465 CD ARG A 33 6.466 -3.181 2.542 1.00 0.00 C ATOM 466 NE ARG A 33 7.377 -4.306 2.344 1.00 0.00 N ATOM 467 CZ ARG A 33 7.104 -5.548 2.727 1.00 0.00 C ATOM 468 NH1 ARG A 33 5.953 -5.824 3.324 1.00 0.00 N ATOM 469 NH2 ARG A 33 7.983 -6.518 2.512 1.00 0.00 N ATOM 0 H ARG A 33 2.734 0.025 1.270 1.00 0.00 H new ATOM 0 HA ARG A 33 3.590 -2.375 -0.231 1.00 0.00 H new ATOM 0 HB2 ARG A 33 5.024 -1.068 1.606 1.00 0.00 H new ATOM 0 HB3 ARG A 33 4.020 -1.977 2.719 1.00 0.00 H new ATOM 0 HG2 ARG A 33 4.743 -4.097 1.646 1.00 0.00 H new ATOM 0 HG3 ARG A 33 5.738 -3.193 0.522 1.00 0.00 H new ATOM 0 HD2 ARG A 33 7.021 -2.246 2.460 1.00 0.00 H new ATOM 0 HD3 ARG A 33 6.055 -3.220 3.551 1.00 0.00 H new ATOM 0 HE ARG A 33 8.271 -4.128 1.887 1.00 0.00 H new ATOM 0 HH11 ARG A 33 5.274 -5.081 3.490 1.00 0.00 H new ATOM 0 HH12 ARG A 33 5.747 -6.779 3.617 1.00 0.00 H new ATOM 0 HH21 ARG A 33 8.869 -6.310 2.052 1.00 0.00 H new ATOM 0 HH22 ARG A 33 7.772 -7.472 2.807 1.00 0.00 H new ATOM 483 N VAL A 34 1.436 -3.475 0.369 1.00 0.00 N ATOM 484 CA VAL A 34 0.284 -4.279 0.756 1.00 0.00 C ATOM 485 C VAL A 34 0.664 -5.311 1.813 1.00 0.00 C ATOM 486 O VAL A 34 1.484 -6.196 1.565 1.00 0.00 O ATOM 487 CB VAL A 34 -0.328 -5.005 -0.457 1.00 0.00 C ATOM 488 CG1 VAL A 34 -1.224 -6.146 -0.001 1.00 0.00 C ATOM 489 CG2 VAL A 34 -1.100 -4.026 -1.328 1.00 0.00 C ATOM 0 H VAL A 34 1.693 -3.553 -0.615 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.455 -3.593 1.170 1.00 0.00 H new ATOM 0 HB VAL A 34 0.482 -5.427 -1.053 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.647 -6.647 -0.872 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.638 -6.859 0.579 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.030 -5.751 0.617 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.526 -4.555 -2.181 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.902 -3.574 -0.744 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.426 -3.247 -1.684 1.00 0.00 H new ATOM 499 N LEU A 35 0.062 -5.192 2.991 1.00 0.00 N ATOM 500 CA LEU A 35 0.336 -6.115 4.087 1.00 0.00 C ATOM 501 C LEU A 35 -0.755 -7.176 4.192 1.00 0.00 C ATOM 502 O LEU A 35 -0.525 -8.348 3.899 1.00 0.00 O ATOM 503 CB LEU A 35 0.449 -5.351 5.407 1.00 0.00 C ATOM 504 CG LEU A 35 1.034 -3.941 5.319 1.00 0.00 C ATOM 505 CD1 LEU A 35 0.453 -3.053 6.408 1.00 0.00 C ATOM 506 CD2 LEU A 35 2.552 -3.985 5.417 1.00 0.00 C ATOM 0 H LEU A 35 -0.619 -4.466 3.212 1.00 0.00 H new ATOM 0 HA LEU A 35 1.283 -6.614 3.881 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.544 -5.283 5.851 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.064 -5.936 6.091 1.00 0.00 H new ATOM 0 HG LEU A 35 0.765 -3.517 4.351 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.881 -2.054 6.329 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.629 -2.994 6.291 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.690 -3.473 7.385 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.950 -2.972 5.352 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.842 -4.429 6.369 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.952 -4.585 4.600 1.00 0.00 H new ATOM 518 N GLY A 36 -1.944 -6.754 4.610 1.00 0.00 N ATOM 519 CA GLY A 36 -3.054 -7.680 4.744 1.00 0.00 C ATOM 520 C GLY A 36 -4.072 -7.529 3.631 1.00 0.00 C ATOM 521 O GLY A 36 -3.981 -6.611 2.816 1.00 0.00 O ATOM 0 H GLY A 36 -2.159 -5.788 4.858 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -2.673 -8.701 4.748 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -3.544 -7.519 5.704 1.00 0.00 H new ATOM 525 N LYS A 37 -5.045 -8.433 3.595 1.00 0.00 N ATOM 526 CA LYS A 37 -6.085 -8.399 2.574 1.00 0.00 C ATOM 527 C LYS A 37 -7.468 -8.295 3.209 1.00 0.00 C ATOM 528 O LYS A 37 -7.969 -9.259 3.790 1.00 0.00 O ATOM 529 CB LYS A 37 -6.008 -9.649 1.695 1.00 0.00 C ATOM 530 CG LYS A 37 -7.145 -9.760 0.694 1.00 0.00 C ATOM 531 CD LYS A 37 -6.806 -10.724 -0.430 1.00 0.00 C ATOM 532 CE LYS A 37 -7.827 -10.651 -1.555 1.00 0.00 C ATOM 533 NZ LYS A 37 -7.516 -11.610 -2.650 1.00 0.00 N ATOM 0 H LYS A 37 -5.135 -9.199 4.262 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.922 -7.517 1.955 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -5.060 -9.646 1.157 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -6.010 -10.532 2.333 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -8.048 -10.097 1.203 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -7.362 -8.776 0.278 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.815 -10.494 -0.821 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -6.766 -11.741 -0.039 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.820 -10.863 -1.158 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -7.853 -9.638 -1.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -8.235 -11.529 -3.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.579 -11.393 -3.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -7.516 -12.579 -2.273 1.00 0.00 H new ATOM 547 N TYR A 38 -8.081 -7.123 3.094 1.00 0.00 N ATOM 548 CA TYR A 38 -9.406 -6.894 3.658 1.00 0.00 C ATOM 549 C TYR A 38 -10.437 -7.821 3.021 1.00 0.00 C ATOM 550 O TYR A 38 -10.985 -8.703 3.682 1.00 0.00 O ATOM 551 CB TYR A 38 -9.823 -5.436 3.459 1.00 0.00 C ATOM 552 CG TYR A 38 -10.776 -4.929 4.518 1.00 0.00 C ATOM 553 CD1 TYR A 38 -10.377 -4.822 5.845 1.00 0.00 C ATOM 554 CD2 TYR A 38 -12.074 -4.557 4.193 1.00 0.00 C ATOM 555 CE1 TYR A 38 -11.244 -4.360 6.816 1.00 0.00 C ATOM 556 CE2 TYR A 38 -12.948 -4.093 5.157 1.00 0.00 C ATOM 557 CZ TYR A 38 -12.528 -3.996 6.467 1.00 0.00 C ATOM 558 OH TYR A 38 -13.396 -3.535 7.431 1.00 0.00 O ATOM 0 H TYR A 38 -7.682 -6.316 2.615 1.00 0.00 H new ATOM 0 HA TYR A 38 -9.361 -7.110 4.726 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -8.931 -4.809 3.454 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -10.291 -5.331 2.480 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -9.372 -5.105 6.122 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -12.406 -4.632 3.168 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -10.918 -4.284 7.843 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -13.954 -3.808 4.886 1.00 0.00 H new ATOM 0 HH TYR A 38 -14.259 -3.321 7.019 1.00 0.00 H new ATOM 568 N GLN A 39 -10.693 -7.614 1.734 1.00 0.00 N ATOM 569 CA GLN A 39 -11.658 -8.431 1.007 1.00 0.00 C ATOM 570 C GLN A 39 -11.627 -8.112 -0.484 1.00 0.00 C ATOM 571 O GLN A 39 -10.948 -7.180 -0.916 1.00 0.00 O ATOM 572 CB GLN A 39 -13.066 -8.207 1.559 1.00 0.00 C ATOM 573 CG GLN A 39 -13.606 -6.809 1.302 1.00 0.00 C ATOM 574 CD GLN A 39 -15.120 -6.770 1.243 1.00 0.00 C ATOM 575 OE1 GLN A 39 -15.708 -6.664 0.167 1.00 0.00 O ATOM 576 NE2 GLN A 39 -15.761 -6.856 2.403 1.00 0.00 N ATOM 0 H GLN A 39 -10.246 -6.888 1.173 1.00 0.00 H new ATOM 0 HA GLN A 39 -11.385 -9.478 1.142 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -13.742 -8.936 1.113 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -13.060 -8.393 2.633 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -13.260 -6.139 2.089 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -13.200 -6.434 0.363 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -15.234 -6.943 3.272 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -16.781 -6.835 2.425 1.00 0.00 H new ATOM 585 N ASP A 40 -12.367 -8.890 -1.266 1.00 0.00 N ATOM 586 CA ASP A 40 -12.425 -8.690 -2.710 1.00 0.00 C ATOM 587 C ASP A 40 -12.724 -7.232 -3.044 1.00 0.00 C ATOM 588 O ASP A 40 -13.867 -6.786 -2.955 1.00 0.00 O ATOM 589 CB ASP A 40 -13.489 -9.597 -3.329 1.00 0.00 C ATOM 590 CG ASP A 40 -12.986 -11.010 -3.554 1.00 0.00 C ATOM 591 OD1 ASP A 40 -12.383 -11.580 -2.621 1.00 0.00 O ATOM 592 OD2 ASP A 40 -13.194 -11.544 -4.663 1.00 0.00 O ATOM 0 H ASP A 40 -12.935 -9.665 -0.925 1.00 0.00 H new ATOM 0 HA ASP A 40 -11.452 -8.948 -3.128 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -14.362 -9.625 -2.677 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -13.814 -9.174 -4.280 1.00 0.00 H new ATOM 597 N GLY A 41 -11.687 -6.494 -3.429 1.00 0.00 N ATOM 598 CA GLY A 41 -11.860 -5.094 -3.770 1.00 0.00 C ATOM 599 C GLY A 41 -11.120 -4.171 -2.822 1.00 0.00 C ATOM 600 O GLY A 41 -10.684 -3.088 -3.214 1.00 0.00 O ATOM 0 H GLY A 41 -10.731 -6.840 -3.511 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -11.507 -4.925 -4.787 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -12.922 -4.848 -3.756 1.00 0.00 H new ATOM 604 N TRP A 42 -10.979 -4.598 -1.573 1.00 0.00 N ATOM 605 CA TRP A 42 -10.288 -3.801 -0.566 1.00 0.00 C ATOM 606 C TRP A 42 -9.064 -4.539 -0.033 1.00 0.00 C ATOM 607 O TRP A 42 -9.113 -5.744 0.216 1.00 0.00 O ATOM 608 CB TRP A 42 -11.236 -3.463 0.585 1.00 0.00 C ATOM 609 CG TRP A 42 -12.358 -2.554 0.183 1.00 0.00 C ATOM 610 CD1 TRP A 42 -13.607 -2.925 -0.227 1.00 0.00 C ATOM 611 CD2 TRP A 42 -12.331 -1.123 0.151 1.00 0.00 C ATOM 612 NE1 TRP A 42 -14.358 -1.810 -0.512 1.00 0.00 N ATOM 613 CE2 TRP A 42 -13.599 -0.692 -0.288 1.00 0.00 C ATOM 614 CE3 TRP A 42 -11.361 -0.163 0.451 1.00 0.00 C ATOM 615 CZ2 TRP A 42 -13.918 0.655 -0.433 1.00 0.00 C ATOM 616 CZ3 TRP A 42 -11.680 1.174 0.306 1.00 0.00 C ATOM 617 CH2 TRP A 42 -12.949 1.573 -0.132 1.00 0.00 C ATOM 0 H TRP A 42 -11.334 -5.492 -1.233 1.00 0.00 H new ATOM 0 HA TRP A 42 -9.955 -2.876 -1.037 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -11.652 -4.387 0.986 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -10.668 -2.994 1.388 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -13.953 -3.944 -0.314 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -15.325 -1.814 -0.838 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -10.380 -0.460 0.790 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -14.896 0.965 -0.771 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -10.938 1.924 0.535 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -13.167 2.626 -0.234 1.00 0.00 H new ATOM 628 N LEU A 43 -7.968 -3.809 0.141 1.00 0.00 N ATOM 629 CA LEU A 43 -6.731 -4.395 0.645 1.00 0.00 C ATOM 630 C LEU A 43 -6.081 -3.485 1.682 1.00 0.00 C ATOM 631 O LEU A 43 -6.299 -2.273 1.685 1.00 0.00 O ATOM 632 CB LEU A 43 -5.758 -4.650 -0.507 1.00 0.00 C ATOM 633 CG LEU A 43 -6.362 -5.260 -1.773 1.00 0.00 C ATOM 634 CD1 LEU A 43 -5.411 -5.099 -2.949 1.00 0.00 C ATOM 635 CD2 LEU A 43 -6.694 -6.729 -1.551 1.00 0.00 C ATOM 0 H LEU A 43 -7.911 -2.811 -0.059 1.00 0.00 H new ATOM 0 HA LEU A 43 -6.976 -5.344 1.123 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.285 -3.704 -0.773 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.969 -5.311 -0.150 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.286 -4.730 -2.004 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -5.857 -5.539 -3.841 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -5.223 -4.039 -3.122 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.470 -5.603 -2.728 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -7.123 -7.147 -2.462 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.785 -7.273 -1.295 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -7.413 -6.821 -0.737 1.00 0.00 H new ATOM 647 N LYS A 44 -5.280 -4.076 2.562 1.00 0.00 N ATOM 648 CA LYS A 44 -4.594 -3.320 3.603 1.00 0.00 C ATOM 649 C LYS A 44 -3.106 -3.191 3.291 1.00 0.00 C ATOM 650 O LYS A 44 -2.415 -4.189 3.094 1.00 0.00 O ATOM 651 CB LYS A 44 -4.784 -3.996 4.962 1.00 0.00 C ATOM 652 CG LYS A 44 -3.920 -3.404 6.062 1.00 0.00 C ATOM 653 CD LYS A 44 -4.348 -3.897 7.434 1.00 0.00 C ATOM 654 CE LYS A 44 -4.027 -2.879 8.518 1.00 0.00 C ATOM 655 NZ LYS A 44 -4.498 -3.327 9.857 1.00 0.00 N ATOM 0 H LYS A 44 -5.090 -5.078 2.575 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.028 -2.321 3.637 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.832 -3.919 5.253 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.557 -5.058 4.865 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.877 -3.668 5.889 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.983 -2.316 6.029 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.419 -4.101 7.431 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.845 -4.838 7.657 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.951 -2.710 8.550 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.493 -1.925 8.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.260 -2.606 10.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.529 -3.464 9.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.035 -4.224 10.106 1.00 0.00 H new ATOM 669 N GLY A 45 -2.620 -1.954 3.250 1.00 0.00 N ATOM 670 CA GLY A 45 -1.217 -1.718 2.963 1.00 0.00 C ATOM 671 C GLY A 45 -0.686 -0.474 3.647 1.00 0.00 C ATOM 672 O GLY A 45 -1.458 0.347 4.144 1.00 0.00 O ATOM 0 H GLY A 45 -3.172 -1.112 3.410 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.634 -2.582 3.283 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.081 -1.623 1.886 1.00 0.00 H new ATOM 676 N LEU A 46 0.634 -0.334 3.676 1.00 0.00 N ATOM 677 CA LEU A 46 1.268 0.819 4.306 1.00 0.00 C ATOM 678 C LEU A 46 1.913 1.725 3.262 1.00 0.00 C ATOM 679 O LEU A 46 2.809 1.305 2.530 1.00 0.00 O ATOM 680 CB LEU A 46 2.319 0.358 5.318 1.00 0.00 C ATOM 681 CG LEU A 46 3.265 1.439 5.841 1.00 0.00 C ATOM 682 CD1 LEU A 46 4.343 1.749 4.814 1.00 0.00 C ATOM 683 CD2 LEU A 46 2.490 2.699 6.200 1.00 0.00 C ATOM 0 H LEU A 46 1.287 -1.005 3.271 1.00 0.00 H new ATOM 0 HA LEU A 46 0.497 1.388 4.826 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.804 -0.089 6.169 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.917 -0.429 4.858 1.00 0.00 H new ATOM 0 HG LEU A 46 3.749 1.064 6.743 1.00 0.00 H new ATOM 0 HD11 LEU A 46 5.006 2.521 5.205 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.918 0.847 4.607 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.878 2.102 3.894 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.180 3.457 6.570 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.978 3.076 5.315 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.757 2.467 6.972 1.00 0.00 H new ATOM 695 N SER A 47 1.452 2.970 3.200 1.00 0.00 N ATOM 696 CA SER A 47 1.983 3.935 2.245 1.00 0.00 C ATOM 697 C SER A 47 3.437 4.270 2.562 1.00 0.00 C ATOM 698 O SER A 47 3.739 4.847 3.608 1.00 0.00 O ATOM 699 CB SER A 47 1.139 5.211 2.255 1.00 0.00 C ATOM 700 OG SER A 47 1.345 5.968 1.074 1.00 0.00 O ATOM 0 H SER A 47 0.712 3.334 3.800 1.00 0.00 H new ATOM 0 HA SER A 47 1.940 3.488 1.252 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.084 4.952 2.346 1.00 0.00 H new ATOM 0 HB3 SER A 47 1.395 5.814 3.126 1.00 0.00 H new ATOM 0 HG SER A 47 1.333 6.923 1.292 1.00 0.00 H new ATOM 706 N LEU A 48 4.334 3.905 1.653 1.00 0.00 N ATOM 707 CA LEU A 48 5.757 4.167 1.834 1.00 0.00 C ATOM 708 C LEU A 48 6.059 5.656 1.703 1.00 0.00 C ATOM 709 O LEU A 48 7.133 6.120 2.088 1.00 0.00 O ATOM 710 CB LEU A 48 6.575 3.377 0.811 1.00 0.00 C ATOM 711 CG LEU A 48 6.266 1.883 0.713 1.00 0.00 C ATOM 712 CD1 LEU A 48 6.849 1.300 -0.565 1.00 0.00 C ATOM 713 CD2 LEU A 48 6.802 1.146 1.931 1.00 0.00 C ATOM 0 H LEU A 48 4.101 3.427 0.783 1.00 0.00 H new ATOM 0 HA LEU A 48 6.035 3.847 2.838 1.00 0.00 H new ATOM 0 HB2 LEU A 48 6.421 3.824 -0.171 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.632 3.494 1.052 1.00 0.00 H new ATOM 0 HG LEU A 48 5.184 1.757 0.685 1.00 0.00 H new ATOM 0 HD11 LEU A 48 6.619 0.236 -0.617 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.416 1.808 -1.427 1.00 0.00 H new ATOM 0 HD13 LEU A 48 7.930 1.438 -0.568 1.00 0.00 H new ATOM 0 HD21 LEU A 48 6.573 0.084 1.844 1.00 0.00 H new ATOM 0 HD22 LEU A 48 7.882 1.280 1.991 1.00 0.00 H new ATOM 0 HD23 LEU A 48 6.336 1.545 2.832 1.00 0.00 H new ATOM 725 N LEU A 49 5.103 6.402 1.159 1.00 0.00 N ATOM 726 CA LEU A 49 5.265 7.840 0.978 1.00 0.00 C ATOM 727 C LEU A 49 4.946 8.590 2.268 1.00 0.00 C ATOM 728 O LEU A 49 5.810 9.250 2.846 1.00 0.00 O ATOM 729 CB LEU A 49 4.361 8.337 -0.151 1.00 0.00 C ATOM 730 CG LEU A 49 4.335 9.850 -0.373 1.00 0.00 C ATOM 731 CD1 LEU A 49 4.059 10.170 -1.834 1.00 0.00 C ATOM 732 CD2 LEU A 49 3.293 10.503 0.523 1.00 0.00 C ATOM 0 H LEU A 49 4.208 6.035 0.836 1.00 0.00 H new ATOM 0 HA LEU A 49 6.305 8.033 0.714 1.00 0.00 H new ATOM 0 HB2 LEU A 49 4.676 7.859 -1.079 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.344 8.002 0.051 1.00 0.00 H new ATOM 0 HG LEU A 49 5.314 10.253 -0.112 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.044 11.251 -1.973 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.841 9.735 -2.456 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.093 9.754 -2.122 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.289 11.579 0.351 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.309 10.095 0.293 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.534 10.303 1.567 1.00 0.00 H new ATOM 744 N THR A 50 3.699 8.482 2.716 1.00 0.00 N ATOM 745 CA THR A 50 3.265 9.148 3.938 1.00 0.00 C ATOM 746 C THR A 50 3.586 8.305 5.167 1.00 0.00 C ATOM 747 O THR A 50 4.005 8.829 6.198 1.00 0.00 O ATOM 748 CB THR A 50 1.753 9.443 3.911 1.00 0.00 C ATOM 749 OG1 THR A 50 1.052 8.349 3.310 1.00 0.00 O ATOM 750 CG2 THR A 50 1.465 10.722 3.140 1.00 0.00 C ATOM 0 H THR A 50 2.972 7.939 2.251 1.00 0.00 H new ATOM 0 HA THR A 50 3.810 10.090 3.995 1.00 0.00 H new ATOM 0 HB THR A 50 1.412 9.573 4.938 1.00 0.00 H new ATOM 0 HG1 THR A 50 0.091 8.543 3.298 1.00 0.00 H new ATOM 0 HG21 THR A 50 0.391 10.910 3.135 1.00 0.00 H new ATOM 0 HG22 THR A 50 1.977 11.558 3.617 1.00 0.00 H new ATOM 0 HG23 THR A 50 1.820 10.617 2.115 1.00 0.00 H new ATOM 758 N GLY A 51 3.386 6.996 5.050 1.00 0.00 N ATOM 759 CA GLY A 51 3.659 6.102 6.159 1.00 0.00 C ATOM 760 C GLY A 51 2.412 5.758 6.948 1.00 0.00 C ATOM 761 O GLY A 51 2.481 5.489 8.147 1.00 0.00 O ATOM 0 H GLY A 51 3.040 6.539 4.206 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.109 5.185 5.780 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.389 6.565 6.823 1.00 0.00 H new ATOM 765 N ARG A 52 1.266 5.767 6.274 1.00 0.00 N ATOM 766 CA ARG A 52 -0.003 5.456 6.920 1.00 0.00 C ATOM 767 C ARG A 52 -0.473 4.052 6.550 1.00 0.00 C ATOM 768 O ARG A 52 -0.144 3.538 5.480 1.00 0.00 O ATOM 769 CB ARG A 52 -1.066 6.482 6.523 1.00 0.00 C ATOM 770 CG ARG A 52 -0.607 7.923 6.670 1.00 0.00 C ATOM 771 CD ARG A 52 -0.105 8.208 8.077 1.00 0.00 C ATOM 772 NE ARG A 52 -0.277 9.610 8.447 1.00 0.00 N ATOM 773 CZ ARG A 52 0.328 10.176 9.486 1.00 0.00 C ATOM 774 NH1 ARG A 52 1.140 9.462 10.253 1.00 0.00 N ATOM 775 NH2 ARG A 52 0.121 11.458 9.758 1.00 0.00 N ATOM 0 H ARG A 52 1.191 5.986 5.281 1.00 0.00 H new ATOM 0 HA ARG A 52 0.148 5.497 7.999 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -1.359 6.307 5.488 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.954 6.328 7.136 1.00 0.00 H new ATOM 0 HG2 ARG A 52 0.186 8.128 5.951 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.432 8.595 6.434 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -0.640 7.578 8.787 1.00 0.00 H new ATOM 0 HD3 ARG A 52 0.950 7.942 8.146 1.00 0.00 H new ATOM 0 HE ARG A 52 -0.896 10.187 7.877 1.00 0.00 H new ATOM 0 HH11 ARG A 52 1.301 8.476 10.046 1.00 0.00 H new ATOM 0 HH12 ARG A 52 1.603 9.898 11.050 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -0.503 12.010 9.169 1.00 0.00 H new ATOM 0 HH22 ARG A 52 0.586 11.892 10.556 1.00 0.00 H new ATOM 789 N THR A 53 -1.242 3.436 7.442 1.00 0.00 N ATOM 790 CA THR A 53 -1.755 2.092 7.210 1.00 0.00 C ATOM 791 C THR A 53 -3.278 2.067 7.270 1.00 0.00 C ATOM 792 O THR A 53 -3.875 2.395 8.295 1.00 0.00 O ATOM 793 CB THR A 53 -1.196 1.092 8.239 1.00 0.00 C ATOM 794 OG1 THR A 53 0.201 1.330 8.444 1.00 0.00 O ATOM 795 CG2 THR A 53 -1.409 -0.340 7.774 1.00 0.00 C ATOM 0 H THR A 53 -1.523 3.847 8.332 1.00 0.00 H new ATOM 0 HA THR A 53 -1.428 1.797 6.213 1.00 0.00 H new ATOM 0 HB THR A 53 -1.730 1.235 9.178 1.00 0.00 H new ATOM 0 HG1 THR A 53 0.549 0.691 9.101 1.00 0.00 H new ATOM 0 HG21 THR A 53 -1.006 -1.028 8.517 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.475 -0.527 7.648 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.899 -0.494 6.823 1.00 0.00 H new ATOM 803 N GLY A 54 -3.903 1.674 6.164 1.00 0.00 N ATOM 804 CA GLY A 54 -5.352 1.613 6.112 1.00 0.00 C ATOM 805 C GLY A 54 -5.855 0.698 5.014 1.00 0.00 C ATOM 806 O GLY A 54 -5.079 -0.045 4.412 1.00 0.00 O ATOM 0 H GLY A 54 -3.431 1.397 5.303 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.733 1.266 7.073 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.749 2.616 5.955 1.00 0.00 H new ATOM 810 N ILE A 55 -7.157 0.750 4.752 1.00 0.00 N ATOM 811 CA ILE A 55 -7.762 -0.082 3.719 1.00 0.00 C ATOM 812 C ILE A 55 -8.064 0.732 2.466 1.00 0.00 C ATOM 813 O ILE A 55 -8.811 1.710 2.512 1.00 0.00 O ATOM 814 CB ILE A 55 -9.063 -0.740 4.216 1.00 0.00 C ATOM 815 CG1 ILE A 55 -9.981 0.308 4.847 1.00 0.00 C ATOM 816 CG2 ILE A 55 -8.749 -1.846 5.213 1.00 0.00 C ATOM 817 CD1 ILE A 55 -11.314 -0.249 5.296 1.00 0.00 C ATOM 0 H ILE A 55 -7.813 1.359 5.241 1.00 0.00 H new ATOM 0 HA ILE A 55 -7.039 -0.862 3.478 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.579 -1.181 3.363 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -9.475 0.754 5.704 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -10.154 1.108 4.127 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -9.678 -2.302 5.555 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -8.129 -2.603 4.733 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -8.215 -1.426 6.066 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -11.913 0.549 5.734 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -11.840 -0.669 4.439 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -11.151 -1.029 6.040 1.00 0.00 H new ATOM 829 N PHE A 56 -7.480 0.321 1.345 1.00 0.00 N ATOM 830 CA PHE A 56 -7.688 1.011 0.077 1.00 0.00 C ATOM 831 C PHE A 56 -8.190 0.045 -0.992 1.00 0.00 C ATOM 832 O PHE A 56 -7.982 -1.166 -0.918 1.00 0.00 O ATOM 833 CB PHE A 56 -6.388 1.672 -0.387 1.00 0.00 C ATOM 834 CG PHE A 56 -5.181 0.791 -0.237 1.00 0.00 C ATOM 835 CD1 PHE A 56 -4.979 -0.283 -1.090 1.00 0.00 C ATOM 836 CD2 PHE A 56 -4.248 1.035 0.758 1.00 0.00 C ATOM 837 CE1 PHE A 56 -3.869 -1.095 -0.954 1.00 0.00 C ATOM 838 CE2 PHE A 56 -3.136 0.226 0.898 1.00 0.00 C ATOM 839 CZ PHE A 56 -2.947 -0.841 0.042 1.00 0.00 C ATOM 0 H PHE A 56 -6.859 -0.486 1.289 1.00 0.00 H new ATOM 0 HA PHE A 56 -8.445 1.780 0.230 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -6.490 1.960 -1.433 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -6.232 2.588 0.182 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -5.697 -0.488 -1.870 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.391 1.867 1.432 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -3.723 -1.928 -1.626 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.415 0.428 1.677 1.00 0.00 H new ATOM 0 HZ PHE A 56 -2.080 -1.475 0.151 1.00 0.00 H new ATOM 849 N PRO A 57 -8.868 0.593 -2.012 1.00 0.00 N ATOM 850 CA PRO A 57 -9.415 -0.202 -3.116 1.00 0.00 C ATOM 851 C PRO A 57 -8.324 -0.769 -4.018 1.00 0.00 C ATOM 852 O PRO A 57 -7.494 -0.028 -4.545 1.00 0.00 O ATOM 853 CB PRO A 57 -10.275 0.805 -3.885 1.00 0.00 C ATOM 854 CG PRO A 57 -9.676 2.132 -3.571 1.00 0.00 C ATOM 855 CD PRO A 57 -9.153 2.029 -2.165 1.00 0.00 C ATOM 0 HA PRO A 57 -9.968 -1.071 -2.758 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -10.256 0.605 -4.956 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -11.318 0.757 -3.571 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -8.874 2.373 -4.269 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -10.419 2.925 -3.654 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -8.257 2.634 -2.024 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -9.888 2.373 -1.437 1.00 0.00 H new ATOM 863 N SER A 58 -8.331 -2.086 -4.191 1.00 0.00 N ATOM 864 CA SER A 58 -7.339 -2.753 -5.027 1.00 0.00 C ATOM 865 C SER A 58 -7.322 -2.156 -6.430 1.00 0.00 C ATOM 866 O SER A 58 -6.275 -2.086 -7.074 1.00 0.00 O ATOM 867 CB SER A 58 -7.630 -4.253 -5.101 1.00 0.00 C ATOM 868 OG SER A 58 -8.830 -4.505 -5.811 1.00 0.00 O ATOM 0 H SER A 58 -9.012 -2.713 -3.764 1.00 0.00 H new ATOM 0 HA SER A 58 -6.358 -2.603 -4.576 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.800 -4.764 -5.590 1.00 0.00 H new ATOM 0 HB3 SER A 58 -7.707 -4.662 -4.094 1.00 0.00 H new ATOM 0 HG SER A 58 -8.993 -5.471 -5.846 1.00 0.00 H new ATOM 874 N ASP A 59 -8.489 -1.728 -6.898 1.00 0.00 N ATOM 875 CA ASP A 59 -8.611 -1.136 -8.225 1.00 0.00 C ATOM 876 C ASP A 59 -7.729 0.103 -8.350 1.00 0.00 C ATOM 877 O ASP A 59 -7.338 0.490 -9.452 1.00 0.00 O ATOM 878 CB ASP A 59 -10.068 -0.771 -8.513 1.00 0.00 C ATOM 879 CG ASP A 59 -10.334 -0.574 -9.993 1.00 0.00 C ATOM 880 OD1 ASP A 59 -9.406 -0.146 -10.711 1.00 0.00 O ATOM 881 OD2 ASP A 59 -11.469 -0.849 -10.432 1.00 0.00 O ATOM 0 H ASP A 59 -9.365 -1.780 -6.378 1.00 0.00 H new ATOM 0 HA ASP A 59 -8.278 -1.873 -8.956 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -10.719 -1.558 -8.131 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -10.324 0.143 -7.976 1.00 0.00 H new ATOM 886 N TYR A 60 -7.420 0.720 -7.215 1.00 0.00 N ATOM 887 CA TYR A 60 -6.587 1.916 -7.198 1.00 0.00 C ATOM 888 C TYR A 60 -5.107 1.551 -7.245 1.00 0.00 C ATOM 889 O TYR A 60 -4.283 2.310 -7.756 1.00 0.00 O ATOM 890 CB TYR A 60 -6.879 2.748 -5.948 1.00 0.00 C ATOM 891 CG TYR A 60 -8.062 3.677 -6.101 1.00 0.00 C ATOM 892 CD1 TYR A 60 -9.279 3.210 -6.581 1.00 0.00 C ATOM 893 CD2 TYR A 60 -7.963 5.021 -5.763 1.00 0.00 C ATOM 894 CE1 TYR A 60 -10.362 4.056 -6.723 1.00 0.00 C ATOM 895 CE2 TYR A 60 -9.041 5.874 -5.901 1.00 0.00 C ATOM 896 CZ TYR A 60 -10.239 5.386 -6.381 1.00 0.00 C ATOM 897 OH TYR A 60 -11.316 6.231 -6.520 1.00 0.00 O ATOM 0 H TYR A 60 -7.734 0.412 -6.295 1.00 0.00 H new ATOM 0 HA TYR A 60 -6.825 2.506 -8.083 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -7.062 2.076 -5.109 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -5.996 3.336 -5.699 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -9.380 2.168 -6.848 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -7.027 5.406 -5.386 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -11.301 3.677 -7.100 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -8.947 6.916 -5.635 1.00 0.00 H new ATOM 0 HH TYR A 60 -11.063 7.134 -6.234 1.00 0.00 H new ATOM 907 N VAL A 61 -4.776 0.380 -6.709 1.00 0.00 N ATOM 908 CA VAL A 61 -3.395 -0.089 -6.690 1.00 0.00 C ATOM 909 C VAL A 61 -3.203 -1.267 -7.639 1.00 0.00 C ATOM 910 O VAL A 61 -3.935 -2.255 -7.574 1.00 0.00 O ATOM 911 CB VAL A 61 -2.965 -0.510 -5.273 1.00 0.00 C ATOM 912 CG1 VAL A 61 -3.024 0.676 -4.322 1.00 0.00 C ATOM 913 CG2 VAL A 61 -3.834 -1.652 -4.769 1.00 0.00 C ATOM 0 H VAL A 61 -5.445 -0.261 -6.282 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.773 0.744 -7.018 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.934 -0.860 -5.315 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.717 0.359 -3.325 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.354 1.460 -4.676 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.043 1.060 -4.282 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.516 -1.936 -3.766 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.876 -1.332 -4.742 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.734 -2.507 -5.437 1.00 0.00 H new ATOM 923 N ILE A 62 -2.214 -1.155 -8.519 1.00 0.00 N ATOM 924 CA ILE A 62 -1.924 -2.212 -9.480 1.00 0.00 C ATOM 925 C ILE A 62 -0.657 -2.970 -9.099 1.00 0.00 C ATOM 926 O ILE A 62 0.356 -2.383 -8.717 1.00 0.00 O ATOM 927 CB ILE A 62 -1.763 -1.649 -10.905 1.00 0.00 C ATOM 928 CG1 ILE A 62 -2.111 -2.719 -11.942 1.00 0.00 C ATOM 929 CG2 ILE A 62 -0.345 -1.140 -11.116 1.00 0.00 C ATOM 930 CD1 ILE A 62 -2.261 -2.174 -13.345 1.00 0.00 C ATOM 0 H ILE A 62 -1.600 -0.343 -8.586 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.773 -2.896 -9.462 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.451 -0.812 -11.029 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.334 -3.483 -11.939 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -3.040 -3.208 -11.650 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.247 -0.745 -12.127 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.131 -0.350 -10.396 1.00 0.00 H new ATOM 0 HG23 ILE A 62 0.360 -1.959 -10.976 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.508 -2.988 -14.027 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -3.058 -1.431 -13.363 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.325 -1.710 -13.657 1.00 0.00 H new ATOM 942 N PRO A 63 -0.711 -4.305 -9.206 1.00 0.00 N ATOM 943 CA PRO A 63 0.425 -5.173 -8.879 1.00 0.00 C ATOM 944 C PRO A 63 1.563 -5.040 -9.885 1.00 0.00 C ATOM 945 O PRO A 63 1.503 -5.595 -10.983 1.00 0.00 O ATOM 946 CB PRO A 63 -0.176 -6.580 -8.933 1.00 0.00 C ATOM 947 CG PRO A 63 -1.340 -6.459 -9.855 1.00 0.00 C ATOM 948 CD PRO A 63 -1.885 -5.072 -9.655 1.00 0.00 C ATOM 0 HA PRO A 63 0.867 -4.921 -7.915 1.00 0.00 H new ATOM 0 HB2 PRO A 63 0.548 -7.306 -9.303 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -0.488 -6.916 -7.944 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -1.035 -6.613 -10.890 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -2.096 -7.211 -9.630 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -2.301 -4.667 -10.578 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.683 -5.057 -8.912 1.00 0.00 H new ATOM 956 N VAL A 64 2.601 -4.302 -9.504 1.00 0.00 N ATOM 957 CA VAL A 64 3.754 -4.099 -10.372 1.00 0.00 C ATOM 958 C VAL A 64 4.648 -5.334 -10.398 1.00 0.00 C ATOM 959 O VAL A 64 4.808 -6.018 -9.387 1.00 0.00 O ATOM 960 CB VAL A 64 4.589 -2.885 -9.922 1.00 0.00 C ATOM 961 CG1 VAL A 64 3.734 -1.627 -9.901 1.00 0.00 C ATOM 962 CG2 VAL A 64 5.207 -3.141 -8.556 1.00 0.00 C ATOM 0 H VAL A 64 2.667 -3.835 -8.600 1.00 0.00 H new ATOM 0 HA VAL A 64 3.366 -3.914 -11.374 1.00 0.00 H new ATOM 0 HB VAL A 64 5.396 -2.735 -10.639 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.341 -0.780 -9.581 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.343 -1.436 -10.900 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.905 -1.762 -9.207 1.00 0.00 H new ATOM 0 HG21 VAL A 64 5.793 -2.273 -8.254 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.417 -3.317 -7.826 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.854 -4.016 -8.608 1.00 0.00 H new ATOM 972 N SER A 65 5.228 -5.614 -11.561 1.00 0.00 N ATOM 973 CA SER A 65 6.103 -6.769 -11.720 1.00 0.00 C ATOM 974 C SER A 65 7.488 -6.485 -11.145 1.00 0.00 C ATOM 975 O SER A 65 7.866 -5.331 -10.948 1.00 0.00 O ATOM 976 CB SER A 65 6.220 -7.147 -13.198 1.00 0.00 C ATOM 977 OG SER A 65 6.819 -8.422 -13.352 1.00 0.00 O ATOM 0 H SER A 65 5.107 -5.057 -12.407 1.00 0.00 H new ATOM 0 HA SER A 65 5.665 -7.603 -11.172 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.231 -7.149 -13.656 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.813 -6.397 -13.723 1.00 0.00 H new ATOM 0 HG SER A 65 6.881 -8.641 -14.305 1.00 0.00 H new ATOM 983 N GLY A 66 8.241 -7.548 -10.878 1.00 0.00 N ATOM 984 CA GLY A 66 9.575 -7.393 -10.329 1.00 0.00 C ATOM 985 C GLY A 66 10.549 -6.803 -11.329 1.00 0.00 C ATOM 986 O GLY A 66 10.159 -6.148 -12.296 1.00 0.00 O ATOM 0 H GLY A 66 7.951 -8.514 -11.032 1.00 0.00 H new ATOM 0 HA2 GLY A 66 9.530 -6.752 -9.449 1.00 0.00 H new ATOM 0 HA3 GLY A 66 9.943 -8.364 -9.997 1.00 0.00 H new ATOM 990 N PRO A 67 11.850 -7.035 -11.101 1.00 0.00 N ATOM 991 CA PRO A 67 12.910 -6.529 -11.979 1.00 0.00 C ATOM 992 C PRO A 67 12.923 -7.229 -13.334 1.00 0.00 C ATOM 993 O PRO A 67 13.376 -6.664 -14.330 1.00 0.00 O ATOM 994 CB PRO A 67 14.192 -6.842 -11.203 1.00 0.00 C ATOM 995 CG PRO A 67 13.835 -7.995 -10.330 1.00 0.00 C ATOM 996 CD PRO A 67 12.387 -7.808 -9.969 1.00 0.00 C ATOM 0 HA PRO A 67 12.781 -5.471 -12.207 1.00 0.00 H new ATOM 0 HB2 PRO A 67 15.011 -7.094 -11.877 1.00 0.00 H new ATOM 0 HB3 PRO A 67 14.517 -5.985 -10.613 1.00 0.00 H new ATOM 0 HG2 PRO A 67 13.989 -8.941 -10.850 1.00 0.00 H new ATOM 0 HG3 PRO A 67 14.460 -8.017 -9.437 1.00 0.00 H new ATOM 0 HD2 PRO A 67 11.875 -8.763 -9.856 1.00 0.00 H new ATOM 0 HD3 PRO A 67 12.274 -7.272 -9.027 1.00 0.00 H new ATOM 1004 N SER A 68 12.423 -8.460 -13.364 1.00 0.00 N ATOM 1005 CA SER A 68 12.380 -9.237 -14.597 1.00 0.00 C ATOM 1006 C SER A 68 11.104 -10.070 -14.670 1.00 0.00 C ATOM 1007 O SER A 68 10.827 -10.880 -13.786 1.00 0.00 O ATOM 1008 CB SER A 68 13.605 -10.150 -14.692 1.00 0.00 C ATOM 1009 OG SER A 68 14.806 -9.400 -14.628 1.00 0.00 O ATOM 0 H SER A 68 12.042 -8.941 -12.549 1.00 0.00 H new ATOM 0 HA SER A 68 12.388 -8.542 -15.436 1.00 0.00 H new ATOM 0 HB2 SER A 68 13.584 -10.878 -13.881 1.00 0.00 H new ATOM 0 HB3 SER A 68 13.572 -10.712 -15.626 1.00 0.00 H new ATOM 0 HG SER A 68 15.574 -10.006 -14.689 1.00 0.00 H new ATOM 1015 N SER A 69 10.331 -9.864 -15.731 1.00 0.00 N ATOM 1016 CA SER A 69 9.081 -10.593 -15.919 1.00 0.00 C ATOM 1017 C SER A 69 9.339 -12.092 -16.030 1.00 0.00 C ATOM 1018 O SER A 69 10.172 -12.534 -16.820 1.00 0.00 O ATOM 1019 CB SER A 69 8.359 -10.093 -17.172 1.00 0.00 C ATOM 1020 OG SER A 69 8.932 -10.644 -18.345 1.00 0.00 O ATOM 0 H SER A 69 10.547 -9.199 -16.473 1.00 0.00 H new ATOM 0 HA SER A 69 8.449 -10.414 -15.049 1.00 0.00 H new ATOM 0 HB2 SER A 69 7.304 -10.361 -17.119 1.00 0.00 H new ATOM 0 HB3 SER A 69 8.410 -9.005 -17.215 1.00 0.00 H new ATOM 0 HG SER A 69 8.452 -10.310 -19.131 1.00 0.00 H new ATOM 1026 N GLY A 70 8.615 -12.871 -15.232 1.00 0.00 N ATOM 1027 CA GLY A 70 8.778 -14.313 -15.255 1.00 0.00 C ATOM 1028 C GLY A 70 10.164 -14.746 -14.820 1.00 0.00 C ATOM 1029 O GLY A 70 10.339 -15.839 -14.280 1.00 0.00 O ATOM 0 H GLY A 70 7.918 -12.529 -14.570 1.00 0.00 H new ATOM 0 HA2 GLY A 70 8.036 -14.770 -14.601 1.00 0.00 H new ATOM 0 HA3 GLY A 70 8.585 -14.682 -16.262 1.00 0.00 H new TER 1033 GLY A 70