USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 731 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 35 SER OG : rot 100:sc= 1.3 USER MOD Set 1.2: A 75 GLN : amide:sc= 0.442 K(o=1.7,f=-1.5) USER MOD Set 2.1: A 18 THR OG1 : rot -100:sc= 0.636 USER MOD Set 2.2: A 38 HIS : no HE2:sc= 0.251 K(o=0.89,f=-5!) USER MOD Set 3.1: A 1 MET CE :methyl 174:sc= -0.0579 (180deg=-0.158) USER MOD Set 3.2: A 9 HIS :FLIP no HD1:sc= -0.12 F(o=-1.4,f=-0.18) USER MOD Single : A 1 MET N :NH3+ 170:sc= 1.25 (180deg=1.17) USER MOD Single : A 5 SER OG : rot 180:sc= 0.0538 USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 ASN : amide:sc= -0.181 K(o=-0.18,f=-0.93) USER MOD Single : A 34 SER OG : rot 30:sc= 0.368 USER MOD Single : A 37 MET CE :methyl -112:sc= -0.686 (180deg=-3.36!) USER MOD Single : A 44 ASN :FLIP amide:sc= -0.034 F(o=-0.7!,f=-0.034) USER MOD Single : A 46 SER OG : rot -76:sc= 0.709 USER MOD Single : A 47 SER OG : rot -37:sc= 0.462 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -170:sc= 0.343 (180deg=0.311) USER MOD Single : A 60 ASN : amide:sc= 0.309 X(o=0.31,f=-0.057) USER MOD Single : A 62 SER OG : rot 180:sc= 0.00733 USER MOD Single : A 65 THR OG1 : rot -76:sc= 1.32 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN :FLIP amide:sc= -0.123 F(o=-1.2,f=-0.12) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.0133 USER MOD Single : A 80 GLN : amide:sc= -0.142 K(o=-0.14,f=-0.79) USER MOD Single : A 82 GLN : amide:sc= -1.33 K(o=-1.3,f=-5.9!) USER MOD Single : A 83 ASN : amide:sc= -0.223 K(o=-0.22,f=-9.5!) USER MOD Single : A 92 SER OG : rot 80:sc= 0.436 USER MOD Single : A 97 ASN : amide:sc= 1.13 K(o=1.1,f=-0.025) USER MOD Single : A 100 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0246) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.390 -1.196 -1.220 1.00 0.00 N ATOM 2 CA MET A 1 -13.035 -2.618 -1.396 1.00 0.00 C ATOM 3 C MET A 1 -12.176 -2.777 -2.635 1.00 0.00 C ATOM 4 O MET A 1 -12.597 -2.449 -3.742 1.00 0.00 O ATOM 5 CB MET A 1 -14.299 -3.471 -1.517 1.00 0.00 C ATOM 6 CG MET A 1 -14.049 -4.957 -1.677 1.00 0.00 C ATOM 7 SD MET A 1 -15.590 -5.883 -1.847 1.00 0.00 S ATOM 8 CE MET A 1 -14.982 -7.563 -1.927 1.00 0.00 C ATOM 0 H1 MET A 1 -14.112 -1.108 -0.476 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.543 -0.658 -0.946 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.766 -0.819 -2.113 1.00 0.00 H new ATOM 0 HA MET A 1 -12.474 -2.955 -0.524 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.913 -3.313 -0.630 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.877 -3.120 -2.372 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.424 -5.128 -2.553 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.496 -5.327 -0.814 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.824 -8.255 -1.925 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.404 -7.697 -2.841 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.347 -7.762 -1.063 1.00 0.00 H new ATOM 20 N LEU A 2 -10.975 -3.279 -2.439 1.00 0.00 N ATOM 21 CA LEU A 2 -10.020 -3.426 -3.523 1.00 0.00 C ATOM 22 C LEU A 2 -10.092 -4.840 -4.084 1.00 0.00 C ATOM 23 O LEU A 2 -9.574 -5.790 -3.497 1.00 0.00 O ATOM 24 CB LEU A 2 -8.604 -3.104 -3.024 1.00 0.00 C ATOM 25 CG LEU A 2 -7.623 -2.557 -4.074 1.00 0.00 C ATOM 26 CD1 LEU A 2 -7.335 -3.583 -5.158 1.00 0.00 C ATOM 27 CD2 LEU A 2 -8.162 -1.275 -4.687 1.00 0.00 C ATOM 0 H LEU A 2 -10.633 -3.595 -1.532 1.00 0.00 H new ATOM 0 HA LEU A 2 -10.266 -2.725 -4.321 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -8.682 -2.376 -2.216 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -8.177 -4.011 -2.596 1.00 0.00 H new ATOM 0 HG LEU A 2 -6.683 -2.338 -3.567 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -6.638 -3.161 -5.882 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -6.896 -4.474 -4.708 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -8.264 -3.851 -5.662 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -7.456 -0.901 -5.428 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -9.120 -1.476 -5.167 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -8.298 -0.527 -3.906 1.00 0.00 H new ATOM 39 N VAL A 3 -10.772 -4.968 -5.202 1.00 0.00 N ATOM 40 CA VAL A 3 -10.916 -6.248 -5.873 1.00 0.00 C ATOM 41 C VAL A 3 -9.741 -6.482 -6.818 1.00 0.00 C ATOM 42 O VAL A 3 -9.608 -5.801 -7.839 1.00 0.00 O ATOM 43 CB VAL A 3 -12.240 -6.324 -6.662 1.00 0.00 C ATOM 44 CG1 VAL A 3 -12.396 -7.680 -7.339 1.00 0.00 C ATOM 45 CG2 VAL A 3 -13.422 -6.043 -5.745 1.00 0.00 C ATOM 0 H VAL A 3 -11.240 -4.194 -5.673 1.00 0.00 H new ATOM 0 HA VAL A 3 -10.929 -7.024 -5.108 1.00 0.00 H new ATOM 0 HB VAL A 3 -12.216 -5.561 -7.440 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -13.337 -7.706 -7.888 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -11.568 -7.839 -8.030 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -12.394 -8.466 -6.584 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -14.348 -6.100 -6.317 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -13.444 -6.781 -4.943 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -13.321 -5.046 -5.317 1.00 0.00 H new ATOM 55 N ILE A 4 -8.889 -7.435 -6.465 1.00 0.00 N ATOM 56 CA ILE A 4 -7.721 -7.754 -7.275 1.00 0.00 C ATOM 57 C ILE A 4 -8.041 -8.901 -8.224 1.00 0.00 C ATOM 58 O ILE A 4 -8.091 -8.724 -9.440 1.00 0.00 O ATOM 59 CB ILE A 4 -6.509 -8.138 -6.396 1.00 0.00 C ATOM 60 CG1 ILE A 4 -6.215 -7.032 -5.376 1.00 0.00 C ATOM 61 CG2 ILE A 4 -5.284 -8.392 -7.267 1.00 0.00 C ATOM 62 CD1 ILE A 4 -5.068 -7.353 -4.435 1.00 0.00 C ATOM 0 H ILE A 4 -8.985 -8.001 -5.622 1.00 0.00 H new ATOM 0 HA ILE A 4 -7.462 -6.863 -7.846 1.00 0.00 H new ATOM 0 HB ILE A 4 -6.750 -9.053 -5.855 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -5.987 -6.110 -5.910 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -7.113 -6.845 -4.788 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -4.438 -8.661 -6.635 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -5.493 -9.207 -7.960 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -5.044 -7.490 -7.829 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -4.921 -6.523 -3.744 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -5.301 -8.257 -3.872 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -4.157 -7.510 -5.012 1.00 0.00 H new ATOM 74 N SER A 5 -8.286 -10.065 -7.654 1.00 0.00 N ATOM 75 CA SER A 5 -8.610 -11.243 -8.434 1.00 0.00 C ATOM 76 C SER A 5 -9.898 -11.851 -7.887 1.00 0.00 C ATOM 77 O SER A 5 -10.558 -11.242 -7.041 1.00 0.00 O ATOM 78 CB SER A 5 -7.448 -12.241 -8.371 1.00 0.00 C ATOM 79 OG SER A 5 -7.502 -13.182 -9.435 1.00 0.00 O ATOM 0 H SER A 5 -8.266 -10.220 -6.646 1.00 0.00 H new ATOM 0 HA SER A 5 -8.763 -10.979 -9.480 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.502 -11.701 -8.411 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.473 -12.769 -7.418 1.00 0.00 H new ATOM 0 HG SER A 5 -6.745 -13.801 -9.363 1.00 0.00 H new ATOM 85 N ASN A 6 -10.250 -13.038 -8.350 1.00 0.00 N ATOM 86 CA ASN A 6 -11.494 -13.678 -7.933 1.00 0.00 C ATOM 87 C ASN A 6 -11.471 -14.061 -6.457 1.00 0.00 C ATOM 88 O ASN A 6 -12.437 -13.821 -5.731 1.00 0.00 O ATOM 89 CB ASN A 6 -11.787 -14.920 -8.775 1.00 0.00 C ATOM 90 CG ASN A 6 -12.358 -14.585 -10.139 1.00 0.00 C ATOM 91 OD1 ASN A 6 -11.625 -14.450 -11.118 1.00 0.00 O ATOM 92 ND2 ASN A 6 -13.674 -14.455 -10.206 1.00 0.00 N ATOM 0 H ASN A 6 -9.696 -13.580 -9.013 1.00 0.00 H new ATOM 0 HA ASN A 6 -12.286 -12.945 -8.087 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -10.868 -15.492 -8.902 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -12.489 -15.559 -8.239 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -14.120 -14.234 -11.096 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -14.242 -14.576 -9.367 1.00 0.00 H new ATOM 99 N ASN A 7 -10.372 -14.654 -6.018 1.00 0.00 N ATOM 100 CA ASN A 7 -10.272 -15.154 -4.651 1.00 0.00 C ATOM 101 C ASN A 7 -9.572 -14.150 -3.739 1.00 0.00 C ATOM 102 O ASN A 7 -9.370 -14.401 -2.553 1.00 0.00 O ATOM 103 CB ASN A 7 -9.517 -16.487 -4.638 1.00 0.00 C ATOM 104 CG ASN A 7 -9.621 -17.218 -3.310 1.00 0.00 C ATOM 105 OD1 ASN A 7 -10.630 -17.120 -2.608 1.00 0.00 O ATOM 106 ND2 ASN A 7 -8.582 -17.959 -2.961 1.00 0.00 N ATOM 0 H ASN A 7 -9.537 -14.802 -6.585 1.00 0.00 H new ATOM 0 HA ASN A 7 -11.283 -15.303 -4.272 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -9.907 -17.127 -5.430 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -8.466 -16.305 -4.864 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -8.597 -18.476 -2.082 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -7.766 -18.013 -3.571 1.00 0.00 H new ATOM 113 N VAL A 8 -9.218 -13.001 -4.285 1.00 0.00 N ATOM 114 CA VAL A 8 -8.492 -12.006 -3.515 1.00 0.00 C ATOM 115 C VAL A 8 -9.219 -10.669 -3.543 1.00 0.00 C ATOM 116 O VAL A 8 -9.368 -10.048 -4.597 1.00 0.00 O ATOM 117 CB VAL A 8 -7.056 -11.810 -4.052 1.00 0.00 C ATOM 118 CG1 VAL A 8 -6.286 -10.818 -3.192 1.00 0.00 C ATOM 119 CG2 VAL A 8 -6.315 -13.137 -4.127 1.00 0.00 C ATOM 0 H VAL A 8 -9.419 -12.735 -5.249 1.00 0.00 H new ATOM 0 HA VAL A 8 -8.437 -12.372 -2.490 1.00 0.00 H new ATOM 0 HB VAL A 8 -7.131 -11.404 -5.061 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -5.278 -10.697 -3.590 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -6.798 -9.856 -3.200 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -6.230 -11.190 -2.169 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.307 -12.970 -4.508 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -6.258 -13.579 -3.132 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -6.848 -13.814 -4.795 1.00 0.00 H new ATOM 129 N HIS A 9 -9.649 -10.231 -2.372 1.00 0.00 N ATOM 130 CA HIS A 9 -10.280 -8.929 -2.212 1.00 0.00 C ATOM 131 C HIS A 9 -9.705 -8.253 -0.980 1.00 0.00 C ATOM 132 O HIS A 9 -9.443 -8.911 0.026 1.00 0.00 O ATOM 133 CB HIS A 9 -11.805 -9.039 -2.036 1.00 0.00 C ATOM 134 CG HIS A 9 -12.504 -9.908 -3.042 1.00 0.00 C ATOM 135 ND1 HIS A 9 -12.497 -9.894 -4.395 1.00 0.00 N flip ATOM 136 CD2 HIS A 9 -13.355 -10.932 -2.679 1.00 0.00 C flip ATOM 137 CE1 HIS A 9 -13.333 -10.896 -4.816 1.00 0.00 C flip ATOM 138 NE2 HIS A 9 -13.836 -11.508 -3.762 1.00 0.00 N flip ATOM 0 H HIS A 9 -9.572 -10.765 -1.507 1.00 0.00 H new ATOM 0 HA HIS A 9 -10.082 -8.352 -3.116 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -12.012 -9.426 -1.039 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -12.233 -8.038 -2.085 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -13.590 -11.217 -1.664 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -13.545 -11.144 -5.845 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -14.487 -12.293 -3.782 1.00 0.00 H new ATOM 147 N LEU A 10 -9.496 -6.955 -1.061 1.00 0.00 N ATOM 148 CA LEU A 10 -9.057 -6.189 0.089 1.00 0.00 C ATOM 149 C LEU A 10 -10.200 -5.337 0.616 1.00 0.00 C ATOM 150 O LEU A 10 -10.547 -4.312 0.028 1.00 0.00 O ATOM 151 CB LEU A 10 -7.862 -5.307 -0.271 1.00 0.00 C ATOM 152 CG LEU A 10 -6.610 -6.065 -0.714 1.00 0.00 C ATOM 153 CD1 LEU A 10 -5.455 -5.102 -0.946 1.00 0.00 C ATOM 154 CD2 LEU A 10 -6.233 -7.116 0.319 1.00 0.00 C ATOM 0 H LEU A 10 -9.623 -6.407 -1.912 1.00 0.00 H new ATOM 0 HA LEU A 10 -8.745 -6.885 0.868 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.159 -4.627 -1.070 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -7.610 -4.692 0.593 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.827 -6.570 -1.655 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.573 -5.660 -1.261 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.728 -4.387 -1.722 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -5.235 -4.568 -0.022 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -5.340 -7.647 -0.011 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -6.035 -6.632 1.275 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.054 -7.824 0.434 1.00 0.00 H new ATOM 166 N PRO A 11 -10.836 -5.776 1.706 1.00 0.00 N ATOM 167 CA PRO A 11 -11.906 -5.019 2.351 1.00 0.00 C ATOM 168 C PRO A 11 -11.406 -3.673 2.863 1.00 0.00 C ATOM 169 O PRO A 11 -10.246 -3.543 3.259 1.00 0.00 O ATOM 170 CB PRO A 11 -12.337 -5.916 3.523 1.00 0.00 C ATOM 171 CG PRO A 11 -11.826 -7.274 3.180 1.00 0.00 C ATOM 172 CD PRO A 11 -10.567 -7.046 2.397 1.00 0.00 C ATOM 0 HA PRO A 11 -12.721 -4.790 1.665 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -11.917 -5.563 4.465 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -13.421 -5.920 3.639 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -11.628 -7.857 4.080 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -12.557 -7.831 2.594 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -9.694 -6.976 3.046 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -10.376 -7.856 1.693 1.00 0.00 H new ATOM 180 N ASP A 12 -12.281 -2.677 2.838 1.00 0.00 N ATOM 181 CA ASP A 12 -11.951 -1.334 3.302 1.00 0.00 C ATOM 182 C ASP A 12 -11.442 -1.346 4.737 1.00 0.00 C ATOM 183 O ASP A 12 -10.585 -0.546 5.106 1.00 0.00 O ATOM 184 CB ASP A 12 -13.182 -0.439 3.208 1.00 0.00 C ATOM 185 CG ASP A 12 -13.515 -0.052 1.784 1.00 0.00 C ATOM 186 OD1 ASP A 12 -12.898 0.895 1.258 1.00 0.00 O ATOM 187 OD2 ASP A 12 -14.384 -0.710 1.172 1.00 0.00 O ATOM 0 H ASP A 12 -13.237 -2.775 2.497 1.00 0.00 H new ATOM 0 HA ASP A 12 -11.157 -0.946 2.663 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -14.035 -0.954 3.649 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -13.016 0.464 3.796 1.00 0.00 H new ATOM 192 N ALA A 13 -11.974 -2.257 5.536 1.00 0.00 N ATOM 193 CA ALA A 13 -11.562 -2.396 6.929 1.00 0.00 C ATOM 194 C ALA A 13 -10.107 -2.853 7.040 1.00 0.00 C ATOM 195 O ALA A 13 -9.438 -2.576 8.032 1.00 0.00 O ATOM 196 CB ALA A 13 -12.480 -3.368 7.654 1.00 0.00 C ATOM 0 H ALA A 13 -12.696 -2.916 5.244 1.00 0.00 H new ATOM 0 HA ALA A 13 -11.638 -1.416 7.400 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -12.162 -3.463 8.692 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -13.504 -2.995 7.621 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -12.433 -4.343 7.169 1.00 0.00 H new ATOM 202 N GLU A 14 -9.618 -3.529 6.007 1.00 0.00 N ATOM 203 CA GLU A 14 -8.261 -4.071 6.021 1.00 0.00 C ATOM 204 C GLU A 14 -7.275 -3.051 5.479 1.00 0.00 C ATOM 205 O GLU A 14 -6.065 -3.270 5.482 1.00 0.00 O ATOM 206 CB GLU A 14 -8.190 -5.351 5.185 1.00 0.00 C ATOM 207 CG GLU A 14 -9.129 -6.445 5.662 1.00 0.00 C ATOM 208 CD GLU A 14 -8.763 -6.972 7.030 1.00 0.00 C ATOM 209 OE1 GLU A 14 -9.007 -6.269 8.029 1.00 0.00 O ATOM 210 OE2 GLU A 14 -8.251 -8.106 7.113 1.00 0.00 O ATOM 0 H GLU A 14 -10.138 -3.716 5.150 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.998 -4.304 7.053 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.424 -5.110 4.148 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.168 -5.729 5.202 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -10.148 -6.058 5.687 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.117 -7.266 4.946 1.00 0.00 H new ATOM 217 N ILE A 15 -7.806 -1.937 5.020 1.00 0.00 N ATOM 218 CA ILE A 15 -6.997 -0.892 4.418 1.00 0.00 C ATOM 219 C ILE A 15 -7.046 0.372 5.262 1.00 0.00 C ATOM 220 O ILE A 15 -8.118 0.924 5.508 1.00 0.00 O ATOM 221 CB ILE A 15 -7.483 -0.551 2.989 1.00 0.00 C ATOM 222 CG1 ILE A 15 -7.523 -1.802 2.108 1.00 0.00 C ATOM 223 CG2 ILE A 15 -6.588 0.507 2.361 1.00 0.00 C ATOM 224 CD1 ILE A 15 -6.175 -2.459 1.908 1.00 0.00 C ATOM 0 H ILE A 15 -8.804 -1.729 5.052 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.975 -1.268 4.366 1.00 0.00 H new ATOM 0 HB ILE A 15 -8.496 -0.155 3.064 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -8.206 -2.526 2.554 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -7.933 -1.535 1.134 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -6.944 0.735 1.356 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -6.612 1.412 2.969 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -5.565 0.133 2.307 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -6.289 -3.337 1.273 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -5.493 -1.754 1.433 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -5.770 -2.760 2.874 1.00 0.00 H new ATOM 236 N GLU A 16 -5.889 0.831 5.709 1.00 0.00 N ATOM 237 CA GLU A 16 -5.818 2.083 6.443 1.00 0.00 C ATOM 238 C GLU A 16 -5.316 3.193 5.529 1.00 0.00 C ATOM 239 O GLU A 16 -4.109 3.350 5.319 1.00 0.00 O ATOM 240 CB GLU A 16 -4.911 1.972 7.670 1.00 0.00 C ATOM 241 CG GLU A 16 -4.940 3.214 8.552 1.00 0.00 C ATOM 242 CD GLU A 16 -3.916 3.178 9.668 1.00 0.00 C ATOM 243 OE1 GLU A 16 -4.127 2.438 10.654 1.00 0.00 O ATOM 244 OE2 GLU A 16 -2.897 3.896 9.569 1.00 0.00 O ATOM 0 H GLU A 16 -4.994 0.360 5.578 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.823 2.319 6.792 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -5.214 1.108 8.261 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.887 1.791 7.342 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.764 4.095 7.934 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.935 3.322 8.984 1.00 0.00 H new ATOM 251 N LEU A 17 -6.249 3.932 4.954 1.00 0.00 N ATOM 252 CA LEU A 17 -5.908 5.089 4.153 1.00 0.00 C ATOM 253 C LEU A 17 -6.104 6.341 4.985 1.00 0.00 C ATOM 254 O LEU A 17 -7.233 6.722 5.289 1.00 0.00 O ATOM 255 CB LEU A 17 -6.782 5.162 2.898 1.00 0.00 C ATOM 256 CG LEU A 17 -6.591 4.028 1.890 1.00 0.00 C ATOM 257 CD1 LEU A 17 -7.559 4.182 0.728 1.00 0.00 C ATOM 258 CD2 LEU A 17 -5.157 3.999 1.385 1.00 0.00 C ATOM 0 H LEU A 17 -7.250 3.749 5.029 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.867 5.006 3.839 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.827 5.177 3.206 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.584 6.108 2.394 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.799 3.083 2.392 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -7.410 3.367 0.020 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -8.583 4.156 1.101 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -7.379 5.134 0.229 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.040 3.186 0.669 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.923 4.947 0.900 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.479 3.844 2.224 1.00 0.00 H new ATOM 270 N THR A 18 -5.011 6.977 5.355 1.00 0.00 N ATOM 271 CA THR A 18 -5.082 8.163 6.187 1.00 0.00 C ATOM 272 C THR A 18 -4.612 9.398 5.430 1.00 0.00 C ATOM 273 O THR A 18 -3.531 9.405 4.840 1.00 0.00 O ATOM 274 CB THR A 18 -4.264 7.978 7.480 1.00 0.00 C ATOM 275 OG1 THR A 18 -3.212 7.023 7.269 1.00 0.00 O ATOM 276 CG2 THR A 18 -5.160 7.509 8.616 1.00 0.00 C ATOM 0 H THR A 18 -4.066 6.695 5.095 1.00 0.00 H new ATOM 0 HA THR A 18 -6.127 8.312 6.460 1.00 0.00 H new ATOM 0 HB THR A 18 -3.827 8.940 7.749 1.00 0.00 H new ATOM 0 HG1 THR A 18 -3.482 6.153 7.631 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.565 7.384 9.521 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.940 8.250 8.794 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.618 6.557 8.349 1.00 0.00 H new ATOM 284 N ALA A 19 -5.449 10.424 5.425 1.00 0.00 N ATOM 285 CA ALA A 19 -5.125 11.682 4.774 1.00 0.00 C ATOM 286 C ALA A 19 -4.494 12.645 5.770 1.00 0.00 C ATOM 287 O ALA A 19 -5.108 13.000 6.775 1.00 0.00 O ATOM 288 CB ALA A 19 -6.371 12.293 4.160 1.00 0.00 C ATOM 0 H ALA A 19 -6.367 10.408 5.870 1.00 0.00 H new ATOM 0 HA ALA A 19 -4.406 11.489 3.978 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.114 13.235 3.676 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.787 11.607 3.422 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -7.109 12.476 4.941 1.00 0.00 H new ATOM 294 N ILE A 20 -3.270 13.062 5.489 1.00 0.00 N ATOM 295 CA ILE A 20 -2.527 13.917 6.394 1.00 0.00 C ATOM 296 C ILE A 20 -2.233 15.254 5.717 1.00 0.00 C ATOM 297 O ILE A 20 -2.301 15.373 4.492 1.00 0.00 O ATOM 298 CB ILE A 20 -1.192 13.248 6.820 1.00 0.00 C ATOM 299 CG1 ILE A 20 -1.426 11.781 7.195 1.00 0.00 C ATOM 300 CG2 ILE A 20 -0.559 13.995 7.987 1.00 0.00 C ATOM 301 CD1 ILE A 20 -0.156 11.038 7.546 1.00 0.00 C ATOM 0 H ILE A 20 -2.769 12.819 4.634 1.00 0.00 H new ATOM 0 HA ILE A 20 -3.133 14.080 7.285 1.00 0.00 H new ATOM 0 HB ILE A 20 -0.506 13.290 5.974 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -2.110 11.736 8.042 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -1.915 11.275 6.363 1.00 0.00 H new ATOM 0 HG21 ILE A 20 0.375 13.508 8.267 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -0.357 15.025 7.693 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -1.242 13.988 8.837 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -0.397 10.006 7.801 1.00 0.00 H new ATOM 0 HD12 ILE A 20 0.522 11.052 6.692 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.324 11.520 8.398 1.00 0.00 H new ATOM 313 N ARG A 21 -1.937 16.258 6.513 1.00 0.00 N ATOM 314 CA ARG A 21 -1.536 17.547 5.985 1.00 0.00 C ATOM 315 C ARG A 21 -0.023 17.591 5.867 1.00 0.00 C ATOM 316 O ARG A 21 0.650 16.569 6.009 1.00 0.00 O ATOM 317 CB ARG A 21 -1.999 18.678 6.897 1.00 0.00 C ATOM 318 CG ARG A 21 -3.464 18.606 7.271 1.00 0.00 C ATOM 319 CD ARG A 21 -3.859 19.787 8.131 1.00 0.00 C ATOM 320 NE ARG A 21 -4.067 21.002 7.345 1.00 0.00 N ATOM 321 CZ ARG A 21 -3.452 22.162 7.575 1.00 0.00 C ATOM 322 NH1 ARG A 21 -2.513 22.259 8.511 1.00 0.00 N ATOM 323 NH2 ARG A 21 -3.770 23.220 6.850 1.00 0.00 N ATOM 0 H ARG A 21 -1.966 16.208 7.531 1.00 0.00 H new ATOM 0 HA ARG A 21 -1.997 17.678 5.006 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -1.401 18.664 7.808 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.807 19.631 6.404 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -4.074 18.588 6.368 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -3.662 17.678 7.807 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -4.773 19.548 8.675 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -3.083 19.967 8.875 1.00 0.00 H new ATOM 0 HE ARG A 21 -4.727 20.959 6.569 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -2.256 21.440 9.062 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -2.049 23.152 8.678 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -4.480 23.145 6.122 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -3.305 24.112 7.018 1.00 0.00 H new ATOM 494 N SER A 34 -2.651 19.576 2.042 1.00 0.00 N ATOM 495 CA SER A 34 -1.571 19.005 1.278 1.00 0.00 C ATOM 496 C SER A 34 -1.955 17.626 0.742 1.00 0.00 C ATOM 497 O SER A 34 -2.907 17.011 1.215 1.00 0.00 O ATOM 498 CB SER A 34 -0.363 18.905 2.186 1.00 0.00 C ATOM 499 OG SER A 34 -0.158 20.125 2.876 1.00 0.00 O ATOM 0 HA SER A 34 -1.347 19.636 0.418 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.505 18.095 2.902 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.522 18.660 1.598 1.00 0.00 H new ATOM 0 HG SER A 34 -1.019 20.571 3.015 1.00 0.00 H new ATOM 505 N SER A 35 -1.192 17.139 -0.225 1.00 0.00 N ATOM 506 CA SER A 35 -1.480 15.868 -0.881 1.00 0.00 C ATOM 507 C SER A 35 -0.792 14.694 -0.183 1.00 0.00 C ATOM 508 O SER A 35 -0.483 13.683 -0.812 1.00 0.00 O ATOM 509 CB SER A 35 -1.023 15.960 -2.330 1.00 0.00 C ATOM 510 OG SER A 35 0.220 16.639 -2.419 1.00 0.00 O ATOM 0 H SER A 35 -0.359 17.610 -0.577 1.00 0.00 H new ATOM 0 HA SER A 35 -2.553 15.682 -0.829 1.00 0.00 H new ATOM 0 HB2 SER A 35 -0.928 14.959 -2.751 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.773 16.485 -2.921 1.00 0.00 H new ATOM 0 HG SER A 35 0.944 15.985 -2.509 1.00 0.00 H new ATOM 516 N ALA A 36 -0.584 14.814 1.117 1.00 0.00 N ATOM 517 CA ALA A 36 0.134 13.803 1.875 1.00 0.00 C ATOM 518 C ALA A 36 -0.808 12.717 2.386 1.00 0.00 C ATOM 519 O ALA A 36 -1.699 12.975 3.190 1.00 0.00 O ATOM 520 CB ALA A 36 0.881 14.445 3.038 1.00 0.00 C ATOM 0 H ALA A 36 -0.904 15.607 1.673 1.00 0.00 H new ATOM 0 HA ALA A 36 0.855 13.333 1.206 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.414 13.676 3.597 1.00 0.00 H new ATOM 0 HB2 ALA A 36 1.594 15.175 2.654 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.170 14.944 3.696 1.00 0.00 H new ATOM 526 N MET A 37 -0.625 11.508 1.891 1.00 0.00 N ATOM 527 CA MET A 37 -1.380 10.367 2.383 1.00 0.00 C ATOM 528 C MET A 37 -0.467 9.365 3.070 1.00 0.00 C ATOM 529 O MET A 37 0.725 9.290 2.781 1.00 0.00 O ATOM 530 CB MET A 37 -2.117 9.666 1.245 1.00 0.00 C ATOM 531 CG MET A 37 -3.255 10.474 0.648 1.00 0.00 C ATOM 532 SD MET A 37 -4.281 9.489 -0.457 1.00 0.00 S ATOM 533 CE MET A 37 -4.863 8.219 0.665 1.00 0.00 C ATOM 0 H MET A 37 0.039 11.288 1.149 1.00 0.00 H new ATOM 0 HA MET A 37 -2.105 10.747 3.102 1.00 0.00 H new ATOM 0 HB2 MET A 37 -1.403 9.429 0.457 1.00 0.00 H new ATOM 0 HB3 MET A 37 -2.513 8.719 1.612 1.00 0.00 H new ATOM 0 HG2 MET A 37 -3.872 10.878 1.451 1.00 0.00 H new ATOM 0 HG3 MET A 37 -2.847 11.324 0.101 1.00 0.00 H new ATOM 0 HE1 MET A 37 -4.426 7.260 0.387 1.00 0.00 H new ATOM 0 HE2 MET A 37 -4.568 8.470 1.684 1.00 0.00 H new ATOM 0 HE3 MET A 37 -5.950 8.153 0.608 1.00 0.00 H new ATOM 543 N HIS A 38 -1.044 8.602 3.975 1.00 0.00 N ATOM 544 CA HIS A 38 -0.342 7.527 4.656 1.00 0.00 C ATOM 545 C HIS A 38 -1.096 6.227 4.451 1.00 0.00 C ATOM 546 O HIS A 38 -2.315 6.167 4.619 1.00 0.00 O ATOM 547 CB HIS A 38 -0.215 7.844 6.151 1.00 0.00 C ATOM 548 CG HIS A 38 0.208 6.683 7.008 1.00 0.00 C ATOM 549 ND1 HIS A 38 -0.648 6.064 7.893 1.00 0.00 N ATOM 550 CD2 HIS A 38 1.392 6.032 7.119 1.00 0.00 C ATOM 551 CE1 HIS A 38 -0.014 5.089 8.514 1.00 0.00 C ATOM 552 NE2 HIS A 38 1.226 5.046 8.062 1.00 0.00 N ATOM 0 H HIS A 38 -2.017 8.708 4.262 1.00 0.00 H new ATOM 0 HA HIS A 38 0.661 7.427 4.241 1.00 0.00 H new ATOM 0 HB2 HIS A 38 0.506 8.652 6.277 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -1.175 8.214 6.512 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -1.623 6.321 8.045 1.00 0.00 H new ATOM 0 HD2 HIS A 38 2.296 6.248 6.569 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -0.437 4.437 9.264 1.00 0.00 H new ATOM 561 N LEU A 39 -0.368 5.199 4.065 1.00 0.00 N ATOM 562 CA LEU A 39 -0.945 3.887 3.881 1.00 0.00 C ATOM 563 C LEU A 39 -0.391 2.922 4.907 1.00 0.00 C ATOM 564 O LEU A 39 0.800 2.954 5.230 1.00 0.00 O ATOM 565 CB LEU A 39 -0.678 3.347 2.477 1.00 0.00 C ATOM 566 CG LEU A 39 -1.604 3.872 1.377 1.00 0.00 C ATOM 567 CD1 LEU A 39 -1.228 5.290 0.970 1.00 0.00 C ATOM 568 CD2 LEU A 39 -1.578 2.935 0.182 1.00 0.00 C ATOM 0 H LEU A 39 0.632 5.250 3.872 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.023 3.982 4.011 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.350 3.586 2.205 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.757 2.260 2.505 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.620 3.905 1.769 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.904 5.635 0.187 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.307 5.950 1.834 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.204 5.302 0.597 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.240 3.318 -0.595 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.562 2.870 -0.207 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.913 1.944 0.489 1.00 0.00 H new ATOM 580 N ARG A 40 -1.260 2.078 5.418 1.00 0.00 N ATOM 581 CA ARG A 40 -0.885 1.094 6.409 1.00 0.00 C ATOM 582 C ARG A 40 -1.687 -0.178 6.178 1.00 0.00 C ATOM 583 O ARG A 40 -2.896 -0.212 6.406 1.00 0.00 O ATOM 584 CB ARG A 40 -1.145 1.660 7.804 1.00 0.00 C ATOM 585 CG ARG A 40 -0.754 0.743 8.946 1.00 0.00 C ATOM 586 CD ARG A 40 -1.061 1.403 10.276 1.00 0.00 C ATOM 587 NE ARG A 40 -0.753 0.549 11.413 1.00 0.00 N ATOM 588 CZ ARG A 40 -1.652 0.173 12.317 1.00 0.00 C ATOM 589 NH1 ARG A 40 -2.924 0.548 12.201 1.00 0.00 N ATOM 590 NH2 ARG A 40 -1.273 -0.572 13.340 1.00 0.00 N ATOM 0 H ARG A 40 -2.246 2.055 5.158 1.00 0.00 H new ATOM 0 HA ARG A 40 0.175 0.856 6.325 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.600 2.598 7.907 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.205 1.896 7.893 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -1.295 -0.200 8.866 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.308 0.507 8.885 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.491 2.328 10.357 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.116 1.675 10.307 1.00 0.00 H new ATOM 0 HE ARG A 40 0.206 0.220 11.523 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -3.215 1.128 11.414 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -3.608 0.255 12.899 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -0.297 -0.854 13.432 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -1.956 -0.865 14.038 1.00 0.00 H new ATOM 604 N PHE A 41 -1.028 -1.209 5.678 1.00 0.00 N ATOM 605 CA PHE A 41 -1.716 -2.446 5.346 1.00 0.00 C ATOM 606 C PHE A 41 -1.102 -3.628 6.080 1.00 0.00 C ATOM 607 O PHE A 41 0.049 -4.000 5.838 1.00 0.00 O ATOM 608 CB PHE A 41 -1.682 -2.667 3.831 1.00 0.00 C ATOM 609 CG PHE A 41 -2.329 -3.946 3.383 1.00 0.00 C ATOM 610 CD1 PHE A 41 -3.679 -4.165 3.590 1.00 0.00 C ATOM 611 CD2 PHE A 41 -1.586 -4.929 2.749 1.00 0.00 C ATOM 612 CE1 PHE A 41 -4.277 -5.340 3.174 1.00 0.00 C ATOM 613 CE2 PHE A 41 -2.178 -6.104 2.333 1.00 0.00 C ATOM 614 CZ PHE A 41 -3.525 -6.309 2.545 1.00 0.00 C ATOM 0 H PHE A 41 -0.025 -1.216 5.494 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.754 -2.364 5.667 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.179 -1.830 3.341 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -0.644 -2.661 3.497 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -4.273 -3.409 4.082 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.531 -4.774 2.578 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -5.332 -5.499 3.342 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -1.587 -6.863 1.842 1.00 0.00 H new ATOM 0 HZ PHE A 41 -3.990 -7.227 2.219 1.00 0.00 H new ATOM 624 N ASP A 42 -1.878 -4.193 6.992 1.00 0.00 N ATOM 625 CA ASP A 42 -1.470 -5.376 7.734 1.00 0.00 C ATOM 626 C ASP A 42 -1.558 -6.612 6.854 1.00 0.00 C ATOM 627 O ASP A 42 -2.631 -7.187 6.681 1.00 0.00 O ATOM 628 CB ASP A 42 -2.342 -5.569 8.977 1.00 0.00 C ATOM 629 CG ASP A 42 -2.001 -4.606 10.094 1.00 0.00 C ATOM 630 OD1 ASP A 42 -2.195 -3.389 9.924 1.00 0.00 O ATOM 631 OD2 ASP A 42 -1.555 -5.073 11.164 1.00 0.00 O ATOM 0 H ASP A 42 -2.805 -3.846 7.238 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.436 -5.232 8.049 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -3.389 -5.442 8.703 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.229 -6.591 9.339 1.00 0.00 H new ATOM 636 N ILE A 43 -0.430 -7.009 6.294 1.00 0.00 N ATOM 637 CA ILE A 43 -0.381 -8.170 5.423 1.00 0.00 C ATOM 638 C ILE A 43 -0.563 -9.450 6.232 1.00 0.00 C ATOM 639 O ILE A 43 -1.182 -10.408 5.771 1.00 0.00 O ATOM 640 CB ILE A 43 0.955 -8.240 4.649 1.00 0.00 C ATOM 641 CG1 ILE A 43 1.195 -6.930 3.891 1.00 0.00 C ATOM 642 CG2 ILE A 43 0.959 -9.424 3.689 1.00 0.00 C ATOM 643 CD1 ILE A 43 2.515 -6.891 3.149 1.00 0.00 C ATOM 0 H ILE A 43 0.468 -6.543 6.427 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.194 -8.073 4.704 1.00 0.00 H new ATOM 0 HB ILE A 43 1.765 -8.382 5.365 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.383 -6.778 3.180 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.160 -6.100 4.597 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.908 -9.455 3.154 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.829 -10.349 4.251 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.143 -9.316 2.974 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.616 -5.934 2.636 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.334 -7.011 3.858 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.546 -7.699 2.418 1.00 0.00 H new ATOM 655 N ASN A 44 -0.042 -9.446 7.450 1.00 0.00 N ATOM 656 CA ASN A 44 -0.076 -10.622 8.305 1.00 0.00 C ATOM 657 C ASN A 44 -1.510 -11.081 8.569 1.00 0.00 C ATOM 658 O ASN A 44 -1.808 -12.271 8.505 1.00 0.00 O ATOM 659 CB ASN A 44 0.629 -10.321 9.630 1.00 0.00 C ATOM 660 CG ASN A 44 1.210 -11.562 10.284 1.00 0.00 C ATOM 661 OD1 ASN A 44 0.577 -12.704 10.079 1.00 0.00 O flip ATOM 662 ND2 ASN A 44 2.227 -11.494 10.972 1.00 0.00 N flip ATOM 0 H ASN A 44 0.412 -8.635 7.870 1.00 0.00 H new ATOM 0 HA ASN A 44 0.444 -11.429 7.789 1.00 0.00 H new ATOM 0 HB2 ASN A 44 1.428 -9.600 9.455 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -0.079 -9.853 10.314 1.00 0.00 H new ATOM 0 HD21 ASN A 44 2.691 -10.596 11.110 1.00 0.00 H new ATOM 0 HD22 ASN A 44 2.607 -12.336 11.405 1.00 0.00 H new ATOM 669 N ALA A 45 -2.395 -10.138 8.849 1.00 0.00 N ATOM 670 CA ALA A 45 -3.779 -10.470 9.173 1.00 0.00 C ATOM 671 C ALA A 45 -4.730 -10.122 8.032 1.00 0.00 C ATOM 672 O ALA A 45 -5.946 -10.077 8.222 1.00 0.00 O ATOM 673 CB ALA A 45 -4.200 -9.750 10.440 1.00 0.00 C ATOM 0 H ALA A 45 -2.184 -9.140 8.859 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.834 -11.547 9.329 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.234 -10.003 10.676 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.555 -10.056 11.264 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.114 -8.673 10.292 1.00 0.00 H new ATOM 679 N SER A 46 -4.177 -9.901 6.846 1.00 0.00 N ATOM 680 CA SER A 46 -4.977 -9.513 5.689 1.00 0.00 C ATOM 681 C SER A 46 -5.805 -10.686 5.166 1.00 0.00 C ATOM 682 O SER A 46 -5.693 -11.812 5.657 1.00 0.00 O ATOM 683 CB SER A 46 -4.068 -8.990 4.578 1.00 0.00 C ATOM 684 OG SER A 46 -3.197 -10.005 4.106 1.00 0.00 O ATOM 0 H SER A 46 -3.178 -9.984 6.659 1.00 0.00 H new ATOM 0 HA SER A 46 -5.662 -8.726 6.004 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.675 -8.616 3.754 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.483 -8.149 4.949 1.00 0.00 H new ATOM 0 HG SER A 46 -2.472 -10.140 4.751 1.00 0.00 H new ATOM 690 N SER A 47 -6.617 -10.421 4.148 1.00 0.00 N ATOM 691 CA SER A 47 -7.460 -11.446 3.555 1.00 0.00 C ATOM 692 C SER A 47 -6.696 -12.227 2.483 1.00 0.00 C ATOM 693 O SER A 47 -7.261 -13.094 1.817 1.00 0.00 O ATOM 694 CB SER A 47 -8.720 -10.809 2.955 1.00 0.00 C ATOM 695 OG SER A 47 -9.645 -11.794 2.524 1.00 0.00 O ATOM 0 H SER A 47 -6.707 -9.501 3.717 1.00 0.00 H new ATOM 0 HA SER A 47 -7.755 -12.145 4.338 1.00 0.00 H new ATOM 0 HB2 SER A 47 -9.192 -10.165 3.697 1.00 0.00 H new ATOM 0 HB3 SER A 47 -8.443 -10.175 2.113 1.00 0.00 H new ATOM 0 HG SER A 47 -9.159 -12.555 2.143 1.00 0.00 H new ATOM 701 N LEU A 48 -5.411 -11.914 2.318 1.00 0.00 N ATOM 702 CA LEU A 48 -4.573 -12.618 1.357 1.00 0.00 C ATOM 703 C LEU A 48 -4.339 -14.053 1.802 1.00 0.00 C ATOM 704 O LEU A 48 -4.108 -14.312 2.984 1.00 0.00 O ATOM 705 CB LEU A 48 -3.219 -11.917 1.184 1.00 0.00 C ATOM 706 CG LEU A 48 -3.221 -10.673 0.293 1.00 0.00 C ATOM 707 CD1 LEU A 48 -3.905 -9.507 0.984 1.00 0.00 C ATOM 708 CD2 LEU A 48 -1.800 -10.298 -0.098 1.00 0.00 C ATOM 0 H LEU A 48 -4.932 -11.179 2.838 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.097 -12.614 0.401 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -2.849 -11.634 2.170 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.510 -12.635 0.772 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.783 -10.907 -0.611 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.892 -8.637 0.328 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.937 -9.774 1.212 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.378 -9.272 1.909 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.819 -9.411 -0.732 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.218 -10.090 0.800 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.343 -11.124 -0.643 1.00 0.00 H new ATOM 720 N PRO A 49 -4.424 -15.005 0.863 1.00 0.00 N ATOM 721 CA PRO A 49 -4.108 -16.404 1.131 1.00 0.00 C ATOM 722 C PRO A 49 -2.682 -16.561 1.646 1.00 0.00 C ATOM 723 O PRO A 49 -1.784 -15.818 1.231 1.00 0.00 O ATOM 724 CB PRO A 49 -4.269 -17.094 -0.230 1.00 0.00 C ATOM 725 CG PRO A 49 -4.295 -15.993 -1.236 1.00 0.00 C ATOM 726 CD PRO A 49 -4.851 -14.794 -0.526 1.00 0.00 C ATOM 0 HA PRO A 49 -4.752 -16.830 1.900 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -3.445 -17.781 -0.421 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -5.187 -17.680 -0.266 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.294 -15.790 -1.618 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -4.915 -16.261 -2.092 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -4.454 -13.864 -0.933 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -5.936 -14.742 -0.611 1.00 0.00 H new ATOM 734 N PRO A 50 -2.461 -17.530 2.552 1.00 0.00 N ATOM 735 CA PRO A 50 -1.166 -17.753 3.206 1.00 0.00 C ATOM 736 C PRO A 50 0.006 -17.779 2.225 1.00 0.00 C ATOM 737 O PRO A 50 1.080 -17.272 2.532 1.00 0.00 O ATOM 738 CB PRO A 50 -1.324 -19.121 3.890 1.00 0.00 C ATOM 739 CG PRO A 50 -2.630 -19.671 3.413 1.00 0.00 C ATOM 740 CD PRO A 50 -3.466 -18.488 3.026 1.00 0.00 C ATOM 0 HA PRO A 50 -0.932 -16.942 3.896 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -0.501 -19.786 3.627 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -1.317 -19.018 4.975 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -2.484 -20.339 2.564 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -3.117 -20.252 4.196 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -4.187 -18.738 2.248 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -4.032 -18.097 3.872 1.00 0.00 H new ATOM 748 N PHE A 51 -0.214 -18.356 1.046 1.00 0.00 N ATOM 749 CA PHE A 51 0.829 -18.452 0.026 1.00 0.00 C ATOM 750 C PHE A 51 1.365 -17.071 -0.356 1.00 0.00 C ATOM 751 O PHE A 51 2.568 -16.823 -0.299 1.00 0.00 O ATOM 752 CB PHE A 51 0.287 -19.166 -1.219 1.00 0.00 C ATOM 753 CG PHE A 51 1.306 -19.344 -2.311 1.00 0.00 C ATOM 754 CD1 PHE A 51 2.277 -20.327 -2.219 1.00 0.00 C ATOM 755 CD2 PHE A 51 1.290 -18.525 -3.430 1.00 0.00 C ATOM 756 CE1 PHE A 51 3.215 -20.489 -3.220 1.00 0.00 C ATOM 757 CE2 PHE A 51 2.225 -18.684 -4.434 1.00 0.00 C ATOM 758 CZ PHE A 51 3.187 -19.667 -4.331 1.00 0.00 C ATOM 0 H PHE A 51 -1.107 -18.765 0.772 1.00 0.00 H new ATOM 0 HA PHE A 51 1.653 -19.030 0.444 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.094 -20.145 -0.928 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -0.557 -18.600 -1.612 1.00 0.00 H new ATOM 0 HD1 PHE A 51 2.301 -20.974 -1.355 1.00 0.00 H new ATOM 0 HD2 PHE A 51 0.538 -17.755 -3.517 1.00 0.00 H new ATOM 0 HE1 PHE A 51 3.969 -21.257 -3.135 1.00 0.00 H new ATOM 0 HE2 PHE A 51 2.203 -18.039 -5.300 1.00 0.00 H new ATOM 0 HZ PHE A 51 3.917 -19.794 -5.117 1.00 0.00 H new ATOM 768 N TYR A 52 0.463 -16.177 -0.738 1.00 0.00 N ATOM 769 CA TYR A 52 0.842 -14.840 -1.159 1.00 0.00 C ATOM 770 C TYR A 52 1.360 -14.026 0.020 1.00 0.00 C ATOM 771 O TYR A 52 2.343 -13.295 -0.102 1.00 0.00 O ATOM 772 CB TYR A 52 -0.353 -14.137 -1.800 1.00 0.00 C ATOM 773 CG TYR A 52 -0.659 -14.599 -3.207 1.00 0.00 C ATOM 774 CD1 TYR A 52 -1.462 -15.711 -3.441 1.00 0.00 C ATOM 775 CD2 TYR A 52 -0.145 -13.919 -4.304 1.00 0.00 C ATOM 776 CE1 TYR A 52 -1.743 -16.129 -4.728 1.00 0.00 C ATOM 777 CE2 TYR A 52 -0.424 -14.331 -5.594 1.00 0.00 C ATOM 778 CZ TYR A 52 -1.220 -15.435 -5.801 1.00 0.00 C ATOM 779 OH TYR A 52 -1.500 -15.845 -7.084 1.00 0.00 O ATOM 0 H TYR A 52 -0.541 -16.357 -0.764 1.00 0.00 H new ATOM 0 HA TYR A 52 1.643 -14.924 -1.893 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -1.233 -14.298 -1.177 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -0.165 -13.064 -1.814 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -1.872 -16.256 -2.604 1.00 0.00 H new ATOM 0 HD2 TYR A 52 0.483 -13.054 -4.147 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -2.368 -16.994 -4.894 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -0.019 -13.789 -6.436 1.00 0.00 H new ATOM 0 HH TYR A 52 -1.056 -15.248 -7.722 1.00 0.00 H new ATOM 789 N LYS A 53 0.698 -14.175 1.160 1.00 0.00 N ATOM 790 CA LYS A 53 1.059 -13.469 2.370 1.00 0.00 C ATOM 791 C LYS A 53 2.488 -13.802 2.791 1.00 0.00 C ATOM 792 O LYS A 53 3.280 -12.912 3.100 1.00 0.00 O ATOM 793 CB LYS A 53 0.072 -13.877 3.455 1.00 0.00 C ATOM 794 CG LYS A 53 0.311 -13.226 4.793 1.00 0.00 C ATOM 795 CD LYS A 53 -0.569 -13.856 5.850 1.00 0.00 C ATOM 796 CE LYS A 53 -2.047 -13.618 5.578 1.00 0.00 C ATOM 797 NZ LYS A 53 -2.902 -14.287 6.592 1.00 0.00 N ATOM 0 H LYS A 53 -0.107 -14.793 1.266 1.00 0.00 H new ATOM 0 HA LYS A 53 1.017 -12.393 2.202 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.937 -13.633 3.121 1.00 0.00 H new ATOM 0 HB3 LYS A 53 0.114 -14.959 3.579 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.359 -13.331 5.074 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.104 -12.158 4.727 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.376 -14.928 5.890 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -0.310 -13.448 6.827 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.250 -12.547 5.579 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.300 -13.990 4.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -3.896 -14.250 6.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.608 -15.279 6.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.802 -13.801 7.506 1.00 0.00 H new ATOM 811 N GLU A 54 2.809 -15.089 2.775 1.00 0.00 N ATOM 812 CA GLU A 54 4.119 -15.583 3.184 1.00 0.00 C ATOM 813 C GLU A 54 5.218 -14.971 2.320 1.00 0.00 C ATOM 814 O GLU A 54 6.240 -14.512 2.828 1.00 0.00 O ATOM 815 CB GLU A 54 4.129 -17.108 3.056 1.00 0.00 C ATOM 816 CG GLU A 54 5.159 -17.818 3.920 1.00 0.00 C ATOM 817 CD GLU A 54 6.549 -17.800 3.323 1.00 0.00 C ATOM 818 OE1 GLU A 54 6.693 -18.149 2.132 1.00 0.00 O ATOM 819 OE2 GLU A 54 7.505 -17.454 4.046 1.00 0.00 O ATOM 0 H GLU A 54 2.166 -15.823 2.477 1.00 0.00 H new ATOM 0 HA GLU A 54 4.310 -15.297 4.219 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.139 -17.486 3.312 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.309 -17.369 2.013 1.00 0.00 H new ATOM 0 HG2 GLU A 54 5.186 -17.348 4.903 1.00 0.00 H new ATOM 0 HG3 GLU A 54 4.848 -18.852 4.070 1.00 0.00 H new ATOM 826 N ARG A 55 4.988 -14.958 1.012 1.00 0.00 N ATOM 827 CA ARG A 55 5.956 -14.405 0.069 1.00 0.00 C ATOM 828 C ARG A 55 6.249 -12.939 0.377 1.00 0.00 C ATOM 829 O ARG A 55 7.402 -12.512 0.360 1.00 0.00 O ATOM 830 CB ARG A 55 5.446 -14.535 -1.364 1.00 0.00 C ATOM 831 CG ARG A 55 5.177 -15.965 -1.784 1.00 0.00 C ATOM 832 CD ARG A 55 4.887 -16.057 -3.271 1.00 0.00 C ATOM 833 NE ARG A 55 6.048 -15.671 -4.074 1.00 0.00 N ATOM 834 CZ ARG A 55 6.829 -16.539 -4.706 1.00 0.00 C ATOM 835 NH1 ARG A 55 6.558 -17.838 -4.658 1.00 0.00 N ATOM 836 NH2 ARG A 55 7.880 -16.111 -5.390 1.00 0.00 N ATOM 0 H ARG A 55 4.140 -15.324 0.579 1.00 0.00 H new ATOM 0 HA ARG A 55 6.879 -14.975 0.173 1.00 0.00 H new ATOM 0 HB2 ARG A 55 4.529 -13.956 -1.468 1.00 0.00 H new ATOM 0 HB3 ARG A 55 6.178 -14.097 -2.043 1.00 0.00 H new ATOM 0 HG2 ARG A 55 6.039 -16.586 -1.540 1.00 0.00 H new ATOM 0 HG3 ARG A 55 4.331 -16.359 -1.221 1.00 0.00 H new ATOM 0 HD2 ARG A 55 4.594 -17.076 -3.522 1.00 0.00 H new ATOM 0 HD3 ARG A 55 4.043 -15.412 -3.518 1.00 0.00 H new ATOM 0 HE ARG A 55 6.270 -14.679 -4.153 1.00 0.00 H new ATOM 0 HH11 ARG A 55 5.748 -18.171 -4.135 1.00 0.00 H new ATOM 0 HH12 ARG A 55 7.160 -18.503 -5.144 1.00 0.00 H new ATOM 0 HH21 ARG A 55 8.090 -15.114 -5.431 1.00 0.00 H new ATOM 0 HH22 ARG A 55 8.479 -16.779 -5.875 1.00 0.00 H new ATOM 850 N LEU A 56 5.197 -12.180 0.659 1.00 0.00 N ATOM 851 CA LEU A 56 5.331 -10.760 0.965 1.00 0.00 C ATOM 852 C LEU A 56 6.105 -10.549 2.261 1.00 0.00 C ATOM 853 O LEU A 56 7.002 -9.710 2.340 1.00 0.00 O ATOM 854 CB LEU A 56 3.948 -10.117 1.084 1.00 0.00 C ATOM 855 CG LEU A 56 3.130 -10.065 -0.211 1.00 0.00 C ATOM 856 CD1 LEU A 56 1.774 -9.428 0.041 1.00 0.00 C ATOM 857 CD2 LEU A 56 3.884 -9.299 -1.287 1.00 0.00 C ATOM 0 H LEU A 56 4.238 -12.526 0.682 1.00 0.00 H new ATOM 0 HA LEU A 56 5.884 -10.290 0.151 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.375 -10.664 1.833 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.070 -9.100 1.457 1.00 0.00 H new ATOM 0 HG LEU A 56 2.973 -11.086 -0.559 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.207 -9.399 -0.889 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.228 -10.014 0.781 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.912 -8.413 0.413 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.288 -9.272 -2.199 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.071 -8.281 -0.946 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.834 -9.794 -1.488 1.00 0.00 H new ATOM 869 N LEU A 57 5.745 -11.330 3.274 1.00 0.00 N ATOM 870 CA LEU A 57 6.368 -11.258 4.579 1.00 0.00 C ATOM 871 C LEU A 57 7.863 -11.565 4.516 1.00 0.00 C ATOM 872 O LEU A 57 8.644 -11.071 5.332 1.00 0.00 O ATOM 873 CB LEU A 57 5.670 -12.246 5.509 1.00 0.00 C ATOM 874 CG LEU A 57 4.209 -11.921 5.834 1.00 0.00 C ATOM 875 CD1 LEU A 57 3.636 -12.948 6.799 1.00 0.00 C ATOM 876 CD2 LEU A 57 4.089 -10.520 6.413 1.00 0.00 C ATOM 0 H LEU A 57 5.008 -12.032 3.206 1.00 0.00 H new ATOM 0 HA LEU A 57 6.265 -10.241 4.956 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.712 -13.237 5.057 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.230 -12.298 6.443 1.00 0.00 H new ATOM 0 HG LEU A 57 3.635 -11.960 4.908 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.597 -12.701 7.019 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.686 -13.939 6.348 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.214 -12.941 7.723 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.044 -10.307 6.637 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.678 -10.453 7.328 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.460 -9.794 5.689 1.00 0.00 H new ATOM 888 N ALA A 58 8.255 -12.382 3.550 1.00 0.00 N ATOM 889 CA ALA A 58 9.644 -12.789 3.408 1.00 0.00 C ATOM 890 C ALA A 58 10.319 -12.101 2.222 1.00 0.00 C ATOM 891 O ALA A 58 11.219 -12.665 1.596 1.00 0.00 O ATOM 892 CB ALA A 58 9.721 -14.300 3.253 1.00 0.00 C ATOM 0 H ALA A 58 7.627 -12.777 2.850 1.00 0.00 H new ATOM 0 HA ALA A 58 10.178 -12.485 4.308 1.00 0.00 H new ATOM 0 HB1 ALA A 58 10.763 -14.602 3.147 1.00 0.00 H new ATOM 0 HB2 ALA A 58 9.292 -14.778 4.134 1.00 0.00 H new ATOM 0 HB3 ALA A 58 9.163 -14.604 2.367 1.00 0.00 H new ATOM 898 N LEU A 59 9.897 -10.877 1.920 1.00 0.00 N ATOM 899 CA LEU A 59 10.476 -10.123 0.839 1.00 0.00 C ATOM 900 C LEU A 59 11.689 -9.331 1.312 1.00 0.00 C ATOM 901 O LEU A 59 11.954 -9.232 2.509 1.00 0.00 O ATOM 902 CB LEU A 59 9.427 -9.182 0.265 1.00 0.00 C ATOM 903 CG LEU A 59 8.690 -9.701 -0.976 1.00 0.00 C ATOM 904 CD1 LEU A 59 7.693 -8.668 -1.473 1.00 0.00 C ATOM 905 CD2 LEU A 59 9.678 -10.060 -2.079 1.00 0.00 C ATOM 0 H LEU A 59 9.151 -10.393 2.419 1.00 0.00 H new ATOM 0 HA LEU A 59 10.810 -10.816 0.067 1.00 0.00 H new ATOM 0 HB2 LEU A 59 8.692 -8.967 1.041 1.00 0.00 H new ATOM 0 HB3 LEU A 59 9.909 -8.238 0.013 1.00 0.00 H new ATOM 0 HG LEU A 59 8.145 -10.603 -0.697 1.00 0.00 H new ATOM 0 HD11 LEU A 59 7.179 -9.053 -2.354 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.964 -8.460 -0.690 1.00 0.00 H new ATOM 0 HD13 LEU A 59 8.220 -7.750 -1.732 1.00 0.00 H new ATOM 0 HD21 LEU A 59 9.134 -10.426 -2.950 1.00 0.00 H new ATOM 0 HD22 LEU A 59 10.252 -9.176 -2.355 1.00 0.00 H new ATOM 0 HD23 LEU A 59 10.356 -10.836 -1.722 1.00 0.00 H new ATOM 917 N ASN A 60 12.413 -8.769 0.361 1.00 0.00 N ATOM 918 CA ASN A 60 13.613 -7.989 0.653 1.00 0.00 C ATOM 919 C ASN A 60 13.306 -6.510 0.460 1.00 0.00 C ATOM 920 O ASN A 60 14.204 -5.670 0.362 1.00 0.00 O ATOM 921 CB ASN A 60 14.744 -8.431 -0.280 1.00 0.00 C ATOM 922 CG ASN A 60 16.138 -8.252 0.312 1.00 0.00 C ATOM 923 OD1 ASN A 60 17.028 -9.064 0.065 1.00 0.00 O ATOM 924 ND2 ASN A 60 16.355 -7.185 1.070 1.00 0.00 N ATOM 0 H ASN A 60 12.191 -8.837 -0.632 1.00 0.00 H new ATOM 0 HA ASN A 60 13.926 -8.153 1.684 1.00 0.00 H new ATOM 0 HB2 ASN A 60 14.601 -9.481 -0.537 1.00 0.00 H new ATOM 0 HB3 ASN A 60 14.679 -7.864 -1.209 1.00 0.00 H new ATOM 0 HD21 ASN A 60 17.281 -7.020 1.466 1.00 0.00 H new ATOM 0 HD22 ASN A 60 15.596 -6.529 1.257 1.00 0.00 H new ATOM 931 N ASP A 61 12.021 -6.203 0.412 1.00 0.00 N ATOM 932 CA ASP A 61 11.559 -4.863 0.108 1.00 0.00 C ATOM 933 C ASP A 61 11.649 -3.962 1.336 1.00 0.00 C ATOM 934 O ASP A 61 11.823 -4.434 2.458 1.00 0.00 O ATOM 935 CB ASP A 61 10.126 -4.914 -0.432 1.00 0.00 C ATOM 936 CG ASP A 61 9.582 -3.542 -0.759 1.00 0.00 C ATOM 937 OD1 ASP A 61 10.169 -2.859 -1.628 1.00 0.00 O ATOM 938 OD2 ASP A 61 8.597 -3.132 -0.125 1.00 0.00 O ATOM 0 H ASP A 61 11.272 -6.874 0.582 1.00 0.00 H new ATOM 0 HA ASP A 61 12.205 -4.437 -0.660 1.00 0.00 H new ATOM 0 HB2 ASP A 61 10.100 -5.534 -1.328 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.480 -5.391 0.305 1.00 0.00 H new ATOM 943 N SER A 62 11.541 -2.666 1.105 1.00 0.00 N ATOM 944 CA SER A 62 11.682 -1.667 2.156 1.00 0.00 C ATOM 945 C SER A 62 10.335 -1.057 2.557 1.00 0.00 C ATOM 946 O SER A 62 10.236 -0.370 3.574 1.00 0.00 O ATOM 947 CB SER A 62 12.649 -0.576 1.692 1.00 0.00 C ATOM 948 OG SER A 62 12.441 -0.260 0.322 1.00 0.00 O ATOM 0 H SER A 62 11.353 -2.273 0.183 1.00 0.00 H new ATOM 0 HA SER A 62 12.081 -2.161 3.042 1.00 0.00 H new ATOM 0 HB2 SER A 62 12.513 0.318 2.300 1.00 0.00 H new ATOM 0 HB3 SER A 62 13.676 -0.909 1.840 1.00 0.00 H new ATOM 0 HG SER A 62 13.069 0.441 0.049 1.00 0.00 H new ATOM 954 N ARG A 63 9.298 -1.307 1.762 1.00 0.00 N ATOM 955 CA ARG A 63 7.961 -0.818 2.077 1.00 0.00 C ATOM 956 C ARG A 63 7.253 -1.825 2.971 1.00 0.00 C ATOM 957 O ARG A 63 6.541 -1.453 3.907 1.00 0.00 O ATOM 958 CB ARG A 63 7.157 -0.587 0.787 1.00 0.00 C ATOM 959 CG ARG A 63 7.763 0.462 -0.134 1.00 0.00 C ATOM 960 CD ARG A 63 7.177 1.848 0.106 1.00 0.00 C ATOM 961 NE ARG A 63 7.183 2.230 1.517 1.00 0.00 N ATOM 962 CZ ARG A 63 7.844 3.279 2.008 1.00 0.00 C ATOM 963 NH1 ARG A 63 8.590 4.037 1.211 1.00 0.00 N ATOM 964 NH2 ARG A 63 7.753 3.568 3.300 1.00 0.00 N ATOM 0 H ARG A 63 9.359 -1.844 0.897 1.00 0.00 H new ATOM 0 HA ARG A 63 8.041 0.134 2.602 1.00 0.00 H new ATOM 0 HB2 ARG A 63 7.077 -1.530 0.246 1.00 0.00 H new ATOM 0 HB3 ARG A 63 6.144 -0.284 1.051 1.00 0.00 H new ATOM 0 HG2 ARG A 63 8.842 0.495 0.016 1.00 0.00 H new ATOM 0 HG3 ARG A 63 7.594 0.173 -1.171 1.00 0.00 H new ATOM 0 HD2 ARG A 63 7.745 2.581 -0.466 1.00 0.00 H new ATOM 0 HD3 ARG A 63 6.154 1.874 -0.268 1.00 0.00 H new ATOM 0 HE ARG A 63 6.647 1.657 2.168 1.00 0.00 H new ATOM 0 HH11 ARG A 63 8.660 3.818 0.217 1.00 0.00 H new ATOM 0 HH12 ARG A 63 9.093 4.838 1.593 1.00 0.00 H new ATOM 0 HH21 ARG A 63 7.179 2.989 3.913 1.00 0.00 H new ATOM 0 HH22 ARG A 63 8.257 4.369 3.680 1.00 0.00 H new ATOM 978 N ILE A 64 7.456 -3.100 2.672 1.00 0.00 N ATOM 979 CA ILE A 64 6.928 -4.175 3.500 1.00 0.00 C ATOM 980 C ILE A 64 7.877 -4.458 4.658 1.00 0.00 C ATOM 981 O ILE A 64 9.029 -4.830 4.445 1.00 0.00 O ATOM 982 CB ILE A 64 6.732 -5.475 2.687 1.00 0.00 C ATOM 983 CG1 ILE A 64 5.803 -5.223 1.498 1.00 0.00 C ATOM 984 CG2 ILE A 64 6.178 -6.583 3.577 1.00 0.00 C ATOM 985 CD1 ILE A 64 5.579 -6.439 0.625 1.00 0.00 C ATOM 0 H ILE A 64 7.985 -3.416 1.859 1.00 0.00 H new ATOM 0 HA ILE A 64 5.959 -3.849 3.878 1.00 0.00 H new ATOM 0 HB ILE A 64 7.701 -5.796 2.305 1.00 0.00 H new ATOM 0 HG12 ILE A 64 4.840 -4.873 1.870 1.00 0.00 H new ATOM 0 HG13 ILE A 64 6.220 -4.422 0.888 1.00 0.00 H new ATOM 0 HG21 ILE A 64 6.046 -7.491 2.988 1.00 0.00 H new ATOM 0 HG22 ILE A 64 6.875 -6.777 4.392 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.217 -6.274 3.987 1.00 0.00 H new ATOM 0 HD11 ILE A 64 4.910 -6.180 -0.195 1.00 0.00 H new ATOM 0 HD12 ILE A 64 6.533 -6.778 0.222 1.00 0.00 H new ATOM 0 HD13 ILE A 64 5.132 -7.236 1.219 1.00 0.00 H new ATOM 997 N THR A 65 7.401 -4.270 5.879 1.00 0.00 N ATOM 998 CA THR A 65 8.229 -4.511 7.047 1.00 0.00 C ATOM 999 C THR A 65 8.135 -5.970 7.474 1.00 0.00 C ATOM 1000 O THR A 65 7.145 -6.650 7.184 1.00 0.00 O ATOM 1001 CB THR A 65 7.823 -3.613 8.234 1.00 0.00 C ATOM 1002 OG1 THR A 65 6.476 -3.902 8.635 1.00 0.00 O ATOM 1003 CG2 THR A 65 7.944 -2.141 7.867 1.00 0.00 C ATOM 0 H THR A 65 6.453 -3.954 6.085 1.00 0.00 H new ATOM 0 HA THR A 65 9.254 -4.271 6.766 1.00 0.00 H new ATOM 0 HB THR A 65 8.499 -3.821 9.063 1.00 0.00 H new ATOM 0 HG1 THR A 65 5.851 -3.502 7.995 1.00 0.00 H new ATOM 0 HG21 THR A 65 7.652 -1.528 8.720 1.00 0.00 H new ATOM 0 HG22 THR A 65 8.976 -1.917 7.595 1.00 0.00 H new ATOM 0 HG23 THR A 65 7.291 -1.922 7.022 1.00 0.00 H new ATOM 1011 N SER A 66 9.157 -6.442 8.174 1.00 0.00 N ATOM 1012 CA SER A 66 9.180 -7.808 8.679 1.00 0.00 C ATOM 1013 C SER A 66 8.155 -7.992 9.797 1.00 0.00 C ATOM 1014 O SER A 66 7.913 -9.107 10.258 1.00 0.00 O ATOM 1015 CB SER A 66 10.577 -8.148 9.190 1.00 0.00 C ATOM 1016 OG SER A 66 11.556 -7.944 8.181 1.00 0.00 O ATOM 0 H SER A 66 9.986 -5.895 8.406 1.00 0.00 H new ATOM 0 HA SER A 66 8.920 -8.482 7.863 1.00 0.00 H new ATOM 0 HB2 SER A 66 10.810 -7.530 10.057 1.00 0.00 H new ATOM 0 HB3 SER A 66 10.603 -9.186 9.522 1.00 0.00 H new ATOM 0 HG SER A 66 12.442 -8.167 8.535 1.00 0.00 H new ATOM 1022 N ASP A 67 7.553 -6.885 10.218 1.00 0.00 N ATOM 1023 CA ASP A 67 6.533 -6.905 11.256 1.00 0.00 C ATOM 1024 C ASP A 67 5.223 -7.449 10.700 1.00 0.00 C ATOM 1025 O ASP A 67 4.344 -7.892 11.444 1.00 0.00 O ATOM 1026 CB ASP A 67 6.338 -5.495 11.815 1.00 0.00 C ATOM 1027 CG ASP A 67 5.348 -5.445 12.961 1.00 0.00 C ATOM 1028 OD1 ASP A 67 5.607 -6.089 13.996 1.00 0.00 O ATOM 1029 OD2 ASP A 67 4.324 -4.741 12.838 1.00 0.00 O ATOM 0 H ASP A 67 7.758 -5.955 9.851 1.00 0.00 H new ATOM 0 HA ASP A 67 6.858 -7.561 12.064 1.00 0.00 H new ATOM 0 HB2 ASP A 67 7.299 -5.109 12.155 1.00 0.00 H new ATOM 0 HB3 ASP A 67 5.995 -4.838 11.016 1.00 0.00 H new ATOM 1034 N GLY A 68 5.110 -7.430 9.380 1.00 0.00 N ATOM 1035 CA GLY A 68 3.926 -7.945 8.727 1.00 0.00 C ATOM 1036 C GLY A 68 3.024 -6.847 8.209 1.00 0.00 C ATOM 1037 O GLY A 68 1.872 -7.098 7.856 1.00 0.00 O ATOM 0 H GLY A 68 5.822 -7.065 8.747 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.223 -8.588 7.898 1.00 0.00 H new ATOM 0 HA3 GLY A 68 3.370 -8.567 9.429 1.00 0.00 H new ATOM 1041 N VAL A 69 3.545 -5.627 8.159 1.00 0.00 N ATOM 1042 CA VAL A 69 2.771 -4.482 7.704 1.00 0.00 C ATOM 1043 C VAL A 69 3.530 -3.725 6.622 1.00 0.00 C ATOM 1044 O VAL A 69 4.734 -3.505 6.740 1.00 0.00 O ATOM 1045 CB VAL A 69 2.463 -3.514 8.871 1.00 0.00 C ATOM 1046 CG1 VAL A 69 1.570 -2.369 8.414 1.00 0.00 C ATOM 1047 CG2 VAL A 69 1.824 -4.256 10.036 1.00 0.00 C ATOM 0 H VAL A 69 4.503 -5.406 8.429 1.00 0.00 H new ATOM 0 HA VAL A 69 1.832 -4.861 7.301 1.00 0.00 H new ATOM 0 HB VAL A 69 3.409 -3.091 9.210 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.370 -1.705 9.255 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.070 -1.811 7.622 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.629 -2.770 8.037 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.617 -3.555 10.844 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.892 -4.716 9.707 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.505 -5.029 10.392 1.00 0.00 H new ATOM 1057 N ILE A 70 2.838 -3.344 5.567 1.00 0.00 N ATOM 1058 CA ILE A 70 3.442 -2.509 4.545 1.00 0.00 C ATOM 1059 C ILE A 70 3.021 -1.057 4.759 1.00 0.00 C ATOM 1060 O ILE A 70 1.830 -0.735 4.777 1.00 0.00 O ATOM 1061 CB ILE A 70 3.089 -2.983 3.110 1.00 0.00 C ATOM 1062 CG1 ILE A 70 3.735 -2.067 2.065 1.00 0.00 C ATOM 1063 CG2 ILE A 70 1.584 -3.054 2.903 1.00 0.00 C ATOM 1064 CD1 ILE A 70 3.491 -2.499 0.631 1.00 0.00 C ATOM 0 H ILE A 70 1.865 -3.596 5.394 1.00 0.00 H new ATOM 0 HA ILE A 70 4.525 -2.592 4.640 1.00 0.00 H new ATOM 0 HB ILE A 70 3.489 -3.989 2.985 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.354 -1.055 2.199 1.00 0.00 H new ATOM 0 HG13 ILE A 70 4.809 -2.029 2.244 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.372 -3.389 1.888 1.00 0.00 H new ATOM 0 HG22 ILE A 70 1.152 -3.757 3.615 1.00 0.00 H new ATOM 0 HG23 ILE A 70 1.148 -2.067 3.058 1.00 0.00 H new ATOM 0 HD11 ILE A 70 3.980 -1.800 -0.048 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.898 -3.499 0.478 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.419 -2.509 0.431 1.00 0.00 H new ATOM 1076 N VAL A 71 4.002 -0.193 4.960 1.00 0.00 N ATOM 1077 CA VAL A 71 3.740 1.207 5.259 1.00 0.00 C ATOM 1078 C VAL A 71 4.195 2.082 4.103 1.00 0.00 C ATOM 1079 O VAL A 71 5.309 1.919 3.598 1.00 0.00 O ATOM 1080 CB VAL A 71 4.467 1.653 6.545 1.00 0.00 C ATOM 1081 CG1 VAL A 71 4.169 3.114 6.861 1.00 0.00 C ATOM 1082 CG2 VAL A 71 4.089 0.762 7.720 1.00 0.00 C ATOM 0 H VAL A 71 4.992 -0.437 4.922 1.00 0.00 H new ATOM 0 HA VAL A 71 2.666 1.317 5.409 1.00 0.00 H new ATOM 0 HB VAL A 71 5.539 1.554 6.374 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.693 3.403 7.772 1.00 0.00 H new ATOM 0 HG12 VAL A 71 4.504 3.741 6.035 1.00 0.00 H new ATOM 0 HG13 VAL A 71 3.096 3.244 7.003 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.614 1.097 8.614 1.00 0.00 H new ATOM 0 HG22 VAL A 71 3.014 0.819 7.888 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.368 -0.268 7.500 1.00 0.00 H new ATOM 1092 N LEU A 72 3.339 3.003 3.681 1.00 0.00 N ATOM 1093 CA LEU A 72 3.658 3.880 2.570 1.00 0.00 C ATOM 1094 C LEU A 72 3.233 5.300 2.884 1.00 0.00 C ATOM 1095 O LEU A 72 2.393 5.539 3.758 1.00 0.00 O ATOM 1096 CB LEU A 72 2.969 3.439 1.267 1.00 0.00 C ATOM 1097 CG LEU A 72 3.196 1.987 0.829 1.00 0.00 C ATOM 1098 CD1 LEU A 72 2.199 1.053 1.500 1.00 0.00 C ATOM 1099 CD2 LEU A 72 3.105 1.867 -0.682 1.00 0.00 C ATOM 0 H LEU A 72 2.419 3.160 4.093 1.00 0.00 H new ATOM 0 HA LEU A 72 4.737 3.827 2.427 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.896 3.598 1.378 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.307 4.094 0.464 1.00 0.00 H new ATOM 0 HG LEU A 72 4.198 1.692 1.141 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.382 0.030 1.172 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.315 1.114 2.582 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.185 1.346 1.227 1.00 0.00 H new ATOM 0 HD21 LEU A 72 3.269 0.830 -0.975 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.117 2.186 -1.013 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.864 2.499 -1.144 1.00 0.00 H new ATOM 1111 N LYS A 73 3.812 6.230 2.159 1.00 0.00 N ATOM 1112 CA LYS A 73 3.442 7.628 2.246 1.00 0.00 C ATOM 1113 C LYS A 73 3.211 8.148 0.841 1.00 0.00 C ATOM 1114 O LYS A 73 4.151 8.356 0.073 1.00 0.00 O ATOM 1115 CB LYS A 73 4.521 8.454 2.942 1.00 0.00 C ATOM 1116 CG LYS A 73 4.812 8.012 4.369 1.00 0.00 C ATOM 1117 CD LYS A 73 5.870 8.881 5.026 1.00 0.00 C ATOM 1118 CE LYS A 73 6.122 8.445 6.459 1.00 0.00 C ATOM 1119 NZ LYS A 73 7.159 9.274 7.131 1.00 0.00 N ATOM 0 H LYS A 73 4.557 6.039 1.489 1.00 0.00 H new ATOM 0 HA LYS A 73 2.534 7.719 2.842 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.441 8.397 2.360 1.00 0.00 H new ATOM 0 HB3 LYS A 73 4.214 9.500 2.951 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.894 8.051 4.956 1.00 0.00 H new ATOM 0 HG3 LYS A 73 5.145 6.974 4.367 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.798 8.823 4.456 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.551 9.923 5.010 1.00 0.00 H new ATOM 0 HE2 LYS A 73 5.191 8.505 7.023 1.00 0.00 H new ATOM 0 HE3 LYS A 73 6.434 7.401 6.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 7.295 8.937 8.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 8.056 9.197 6.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.852 10.268 7.148 1.00 0.00 H new ATOM 1133 N ALA A 74 1.960 8.319 0.502 1.00 0.00 N ATOM 1134 CA ALA A 74 1.585 8.706 -0.842 1.00 0.00 C ATOM 1135 C ALA A 74 1.586 10.217 -0.977 1.00 0.00 C ATOM 1136 O ALA A 74 0.665 10.895 -0.524 1.00 0.00 O ATOM 1137 CB ALA A 74 0.225 8.129 -1.205 1.00 0.00 C ATOM 0 H ALA A 74 1.174 8.196 1.141 1.00 0.00 H new ATOM 0 HA ALA A 74 2.320 8.301 -1.538 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.040 8.431 -2.218 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.265 7.041 -1.149 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -0.526 8.501 -0.508 1.00 0.00 H new ATOM 1143 N GLN A 75 2.639 10.737 -1.582 1.00 0.00 N ATOM 1144 CA GLN A 75 2.771 12.166 -1.797 1.00 0.00 C ATOM 1145 C GLN A 75 3.648 12.410 -3.020 1.00 0.00 C ATOM 1146 O GLN A 75 4.867 12.514 -2.914 1.00 0.00 O ATOM 1147 CB GLN A 75 3.372 12.835 -0.554 1.00 0.00 C ATOM 1148 CG GLN A 75 2.993 14.301 -0.381 1.00 0.00 C ATOM 1149 CD GLN A 75 3.400 15.172 -1.552 1.00 0.00 C ATOM 1150 OE1 GLN A 75 2.625 15.374 -2.490 1.00 0.00 O ATOM 1151 NE2 GLN A 75 4.617 15.691 -1.509 1.00 0.00 N ATOM 0 H GLN A 75 3.421 10.185 -1.935 1.00 0.00 H new ATOM 0 HA GLN A 75 1.788 12.602 -1.972 1.00 0.00 H new ATOM 0 HB2 GLN A 75 3.053 12.283 0.330 1.00 0.00 H new ATOM 0 HB3 GLN A 75 4.458 12.757 -0.604 1.00 0.00 H new ATOM 0 HG2 GLN A 75 1.915 14.375 -0.241 1.00 0.00 H new ATOM 0 HG3 GLN A 75 3.460 14.684 0.526 1.00 0.00 H new ATOM 0 HE21 GLN A 75 5.226 15.498 -0.714 1.00 0.00 H new ATOM 0 HE22 GLN A 75 4.946 16.284 -2.271 1.00 0.00 H new ATOM 1160 N GLN A 76 3.026 12.431 -4.187 1.00 0.00 N ATOM 1161 CA GLN A 76 3.738 12.707 -5.418 1.00 0.00 C ATOM 1162 C GLN A 76 2.906 13.606 -6.319 1.00 0.00 C ATOM 1163 O GLN A 76 3.416 14.547 -6.926 1.00 0.00 O ATOM 1164 CB GLN A 76 4.062 11.399 -6.132 1.00 0.00 C ATOM 1165 CG GLN A 76 4.971 11.568 -7.333 1.00 0.00 C ATOM 1166 CD GLN A 76 6.346 12.103 -6.966 1.00 0.00 C ATOM 1167 OE1 GLN A 76 6.813 11.779 -5.768 1.00 0.00 O flip ATOM 1168 NE2 GLN A 76 6.984 12.796 -7.758 1.00 0.00 N flip ATOM 0 H GLN A 76 2.027 12.260 -4.305 1.00 0.00 H new ATOM 0 HA GLN A 76 4.669 13.222 -5.180 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.533 10.716 -5.425 1.00 0.00 H new ATOM 0 HB3 GLN A 76 3.132 10.932 -6.455 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.083 10.607 -7.835 1.00 0.00 H new ATOM 0 HG3 GLN A 76 4.501 12.247 -8.045 1.00 0.00 H new ATOM 0 HE21 GLN A 76 6.589 13.023 -8.671 1.00 0.00 H new ATOM 0 HE22 GLN A 76 7.908 13.144 -7.502 1.00 0.00 H new ATOM 1177 N TYR A 77 1.615 13.312 -6.395 1.00 0.00 N ATOM 1178 CA TYR A 77 0.706 14.064 -7.229 1.00 0.00 C ATOM 1179 C TYR A 77 0.229 15.331 -6.525 1.00 0.00 C ATOM 1180 O TYR A 77 0.580 15.588 -5.374 1.00 0.00 O ATOM 1181 CB TYR A 77 -0.486 13.187 -7.594 1.00 0.00 C ATOM 1182 CG TYR A 77 -0.558 12.834 -9.063 1.00 0.00 C ATOM 1183 CD1 TYR A 77 0.197 11.789 -9.584 1.00 0.00 C ATOM 1184 CD2 TYR A 77 -1.377 13.547 -9.929 1.00 0.00 C ATOM 1185 CE1 TYR A 77 0.132 11.461 -10.924 1.00 0.00 C ATOM 1186 CE2 TYR A 77 -1.450 13.223 -11.270 1.00 0.00 C ATOM 1187 CZ TYR A 77 -0.691 12.183 -11.765 1.00 0.00 C ATOM 1188 OH TYR A 77 -0.759 11.862 -13.102 1.00 0.00 O ATOM 0 H TYR A 77 1.176 12.548 -5.880 1.00 0.00 H new ATOM 0 HA TYR A 77 1.233 14.365 -8.134 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -0.440 12.267 -7.011 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -1.404 13.701 -7.308 1.00 0.00 H new ATOM 0 HD1 TYR A 77 0.845 11.224 -8.930 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -1.966 14.368 -9.548 1.00 0.00 H new ATOM 0 HE1 TYR A 77 0.722 10.644 -11.312 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -2.099 13.782 -11.928 1.00 0.00 H new ATOM 0 HH TYR A 77 -1.385 12.467 -13.552 1.00 0.00 H new ATOM 1198 N ARG A 78 -0.582 16.106 -7.233 1.00 0.00 N ATOM 1199 CA ARG A 78 -1.093 17.377 -6.731 1.00 0.00 C ATOM 1200 C ARG A 78 -2.114 17.176 -5.610 1.00 0.00 C ATOM 1201 O ARG A 78 -2.093 17.887 -4.601 1.00 0.00 O ATOM 1202 CB ARG A 78 -1.731 18.150 -7.889 1.00 0.00 C ATOM 1203 CG ARG A 78 -2.529 19.369 -7.459 1.00 0.00 C ATOM 1204 CD ARG A 78 -3.244 19.993 -8.642 1.00 0.00 C ATOM 1205 NE ARG A 78 -4.245 20.971 -8.227 1.00 0.00 N ATOM 1206 CZ ARG A 78 -5.273 21.343 -8.984 1.00 0.00 C ATOM 1207 NH1 ARG A 78 -5.420 20.832 -10.204 1.00 0.00 N ATOM 1208 NH2 ARG A 78 -6.155 22.219 -8.521 1.00 0.00 N ATOM 0 H ARG A 78 -0.905 15.872 -8.172 1.00 0.00 H new ATOM 0 HA ARG A 78 -0.260 17.942 -6.314 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -0.946 18.467 -8.576 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.386 17.478 -8.443 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -3.256 19.083 -6.699 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -1.863 20.102 -7.003 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -2.514 20.476 -9.292 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -3.725 19.210 -9.228 1.00 0.00 H new ATOM 0 HE ARG A 78 -4.151 21.393 -7.303 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -4.744 20.155 -10.558 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -6.209 21.117 -10.785 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -6.045 22.607 -7.584 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -6.944 22.504 -9.102 1.00 0.00 H new ATOM 1222 N THR A 79 -3.012 16.220 -5.790 1.00 0.00 N ATOM 1223 CA THR A 79 -4.075 15.985 -4.825 1.00 0.00 C ATOM 1224 C THR A 79 -3.905 14.642 -4.122 1.00 0.00 C ATOM 1225 O THR A 79 -3.193 13.758 -4.609 1.00 0.00 O ATOM 1226 CB THR A 79 -5.460 16.038 -5.503 1.00 0.00 C ATOM 1227 OG1 THR A 79 -5.483 15.177 -6.651 1.00 0.00 O ATOM 1228 CG2 THR A 79 -5.807 17.458 -5.921 1.00 0.00 C ATOM 0 H THR A 79 -3.026 15.594 -6.595 1.00 0.00 H new ATOM 0 HA THR A 79 -4.011 16.779 -4.081 1.00 0.00 H new ATOM 0 HB THR A 79 -6.202 15.697 -4.781 1.00 0.00 H new ATOM 0 HG1 THR A 79 -6.367 15.217 -7.072 1.00 0.00 H new ATOM 0 HG21 THR A 79 -6.788 17.468 -6.396 1.00 0.00 H new ATOM 0 HG22 THR A 79 -5.823 18.102 -5.042 1.00 0.00 H new ATOM 0 HG23 THR A 79 -5.059 17.823 -6.625 1.00 0.00 H new ATOM 1236 N GLN A 80 -4.567 14.497 -2.978 1.00 0.00 N ATOM 1237 CA GLN A 80 -4.555 13.245 -2.231 1.00 0.00 C ATOM 1238 C GLN A 80 -5.303 12.182 -3.021 1.00 0.00 C ATOM 1239 O GLN A 80 -4.936 11.013 -3.030 1.00 0.00 O ATOM 1240 CB GLN A 80 -5.229 13.420 -0.863 1.00 0.00 C ATOM 1241 CG GLN A 80 -4.544 14.422 0.052 1.00 0.00 C ATOM 1242 CD GLN A 80 -5.302 14.630 1.354 1.00 0.00 C ATOM 1243 OE1 GLN A 80 -6.530 14.529 1.397 1.00 0.00 O ATOM 1244 NE2 GLN A 80 -4.579 14.922 2.423 1.00 0.00 N ATOM 0 H GLN A 80 -5.122 15.236 -2.547 1.00 0.00 H new ATOM 0 HA GLN A 80 -3.519 12.943 -2.076 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -6.261 13.735 -1.018 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -5.262 12.453 -0.362 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -3.534 14.076 0.274 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -4.448 15.376 -0.466 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -3.565 14.997 2.348 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -5.036 15.072 3.322 1.00 0.00 H new ATOM 1253 N GLU A 81 -6.346 12.628 -3.701 1.00 0.00 N ATOM 1254 CA GLU A 81 -7.234 11.755 -4.450 1.00 0.00 C ATOM 1255 C GLU A 81 -6.487 10.976 -5.534 1.00 0.00 C ATOM 1256 O GLU A 81 -6.782 9.806 -5.784 1.00 0.00 O ATOM 1257 CB GLU A 81 -8.340 12.606 -5.067 1.00 0.00 C ATOM 1258 CG GLU A 81 -9.079 13.457 -4.043 1.00 0.00 C ATOM 1259 CD GLU A 81 -9.614 14.750 -4.628 1.00 0.00 C ATOM 1260 OE1 GLU A 81 -10.677 14.722 -5.282 1.00 0.00 O ATOM 1261 OE2 GLU A 81 -8.962 15.799 -4.449 1.00 0.00 O ATOM 0 H GLU A 81 -6.602 13.614 -3.749 1.00 0.00 H new ATOM 0 HA GLU A 81 -7.660 11.017 -3.770 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -7.908 13.256 -5.828 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -9.053 11.954 -5.572 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -9.907 12.881 -3.629 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -8.407 13.688 -3.217 1.00 0.00 H new ATOM 1268 N GLN A 82 -5.524 11.625 -6.171 1.00 0.00 N ATOM 1269 CA GLN A 82 -4.724 10.969 -7.200 1.00 0.00 C ATOM 1270 C GLN A 82 -3.707 10.023 -6.570 1.00 0.00 C ATOM 1271 O GLN A 82 -3.488 8.915 -7.060 1.00 0.00 O ATOM 1272 CB GLN A 82 -4.014 12.005 -8.071 1.00 0.00 C ATOM 1273 CG GLN A 82 -4.958 12.836 -8.929 1.00 0.00 C ATOM 1274 CD GLN A 82 -5.611 12.032 -10.041 1.00 0.00 C ATOM 1275 OE1 GLN A 82 -5.866 10.834 -9.906 1.00 0.00 O ATOM 1276 NE2 GLN A 82 -5.881 12.687 -11.158 1.00 0.00 N ATOM 0 H GLN A 82 -5.277 12.599 -5.997 1.00 0.00 H new ATOM 0 HA GLN A 82 -5.395 10.386 -7.831 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -3.438 12.672 -7.430 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -3.302 11.494 -8.720 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -5.734 13.266 -8.295 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -4.406 13.668 -9.366 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -5.656 13.679 -11.235 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -6.314 12.200 -11.943 1.00 0.00 H new ATOM 1285 N ASN A 83 -3.104 10.459 -5.468 1.00 0.00 N ATOM 1286 CA ASN A 83 -2.148 9.626 -4.741 1.00 0.00 C ATOM 1287 C ASN A 83 -2.840 8.381 -4.197 1.00 0.00 C ATOM 1288 O ASN A 83 -2.246 7.303 -4.137 1.00 0.00 O ATOM 1289 CB ASN A 83 -1.496 10.416 -3.599 1.00 0.00 C ATOM 1290 CG ASN A 83 -0.505 11.460 -4.090 1.00 0.00 C ATOM 1291 OD1 ASN A 83 0.155 11.283 -5.113 1.00 0.00 O ATOM 1292 ND2 ASN A 83 -0.382 12.554 -3.355 1.00 0.00 N ATOM 0 H ASN A 83 -3.259 11.381 -5.059 1.00 0.00 H new ATOM 0 HA ASN A 83 -1.365 9.318 -5.434 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -2.274 10.908 -3.014 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -0.985 9.723 -2.931 1.00 0.00 H new ATOM 0 HD21 ASN A 83 0.276 13.283 -3.631 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -0.945 12.668 -2.512 1.00 0.00 H new ATOM 1299 N ARG A 84 -4.103 8.545 -3.813 1.00 0.00 N ATOM 1300 CA ARG A 84 -4.932 7.439 -3.352 1.00 0.00 C ATOM 1301 C ARG A 84 -4.979 6.327 -4.396 1.00 0.00 C ATOM 1302 O ARG A 84 -4.764 5.155 -4.085 1.00 0.00 O ATOM 1303 CB ARG A 84 -6.349 7.945 -3.093 1.00 0.00 C ATOM 1304 CG ARG A 84 -7.172 7.062 -2.173 1.00 0.00 C ATOM 1305 CD ARG A 84 -8.615 7.532 -2.121 1.00 0.00 C ATOM 1306 NE ARG A 84 -9.338 7.004 -0.964 1.00 0.00 N ATOM 1307 CZ ARG A 84 -10.588 6.545 -1.014 1.00 0.00 C ATOM 1308 NH1 ARG A 84 -11.202 6.384 -2.178 1.00 0.00 N ATOM 1309 NH2 ARG A 84 -11.221 6.219 0.102 1.00 0.00 N ATOM 0 H ARG A 84 -4.578 9.447 -3.813 1.00 0.00 H new ATOM 0 HA ARG A 84 -4.501 7.039 -2.434 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -6.292 8.944 -2.662 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -6.868 8.039 -4.047 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -7.134 6.030 -2.522 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -6.744 7.076 -1.171 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -8.637 8.621 -2.092 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -9.126 7.226 -3.034 1.00 0.00 H new ATOM 0 HE ARG A 84 -8.856 6.986 -0.065 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -10.717 6.612 -3.046 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -12.159 6.032 -2.205 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -10.752 6.319 1.002 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -12.178 5.868 0.062 1.00 0.00 H new ATOM 1323 N ALA A 85 -5.246 6.714 -5.638 1.00 0.00 N ATOM 1324 CA ALA A 85 -5.395 5.758 -6.732 1.00 0.00 C ATOM 1325 C ALA A 85 -4.061 5.102 -7.089 1.00 0.00 C ATOM 1326 O ALA A 85 -3.998 3.891 -7.313 1.00 0.00 O ATOM 1327 CB ALA A 85 -5.990 6.443 -7.953 1.00 0.00 C ATOM 0 H ALA A 85 -5.365 7.689 -5.915 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.073 4.973 -6.398 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.096 5.719 -8.761 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -6.969 6.851 -7.701 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -5.332 7.251 -8.274 1.00 0.00 H new ATOM 1333 N ASP A 86 -3.005 5.906 -7.130 1.00 0.00 N ATOM 1334 CA ASP A 86 -1.670 5.411 -7.469 1.00 0.00 C ATOM 1335 C ASP A 86 -1.215 4.377 -6.451 1.00 0.00 C ATOM 1336 O ASP A 86 -0.785 3.279 -6.804 1.00 0.00 O ATOM 1337 CB ASP A 86 -0.662 6.566 -7.502 1.00 0.00 C ATOM 1338 CG ASP A 86 0.702 6.154 -8.033 1.00 0.00 C ATOM 1339 OD1 ASP A 86 1.536 5.651 -7.249 1.00 0.00 O ATOM 1340 OD2 ASP A 86 0.959 6.360 -9.242 1.00 0.00 O ATOM 0 H ASP A 86 -3.044 6.906 -6.933 1.00 0.00 H new ATOM 0 HA ASP A 86 -1.720 4.950 -8.455 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -1.059 7.369 -8.123 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -0.547 6.968 -6.496 1.00 0.00 H new ATOM 1345 N ALA A 87 -1.344 4.735 -5.183 1.00 0.00 N ATOM 1346 CA ALA A 87 -0.902 3.886 -4.085 1.00 0.00 C ATOM 1347 C ALA A 87 -1.640 2.547 -4.067 1.00 0.00 C ATOM 1348 O ALA A 87 -1.024 1.500 -3.863 1.00 0.00 O ATOM 1349 CB ALA A 87 -1.083 4.612 -2.765 1.00 0.00 C ATOM 0 H ALA A 87 -1.757 5.619 -4.885 1.00 0.00 H new ATOM 0 HA ALA A 87 0.156 3.669 -4.234 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.750 3.971 -1.949 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -0.493 5.529 -2.770 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.136 4.859 -2.627 1.00 0.00 H new ATOM 1355 N LEU A 88 -2.949 2.578 -4.289 1.00 0.00 N ATOM 1356 CA LEU A 88 -3.749 1.355 -4.292 1.00 0.00 C ATOM 1357 C LEU A 88 -3.371 0.460 -5.470 1.00 0.00 C ATOM 1358 O LEU A 88 -3.327 -0.770 -5.345 1.00 0.00 O ATOM 1359 CB LEU A 88 -5.240 1.687 -4.330 1.00 0.00 C ATOM 1360 CG LEU A 88 -5.780 2.374 -3.074 1.00 0.00 C ATOM 1361 CD1 LEU A 88 -7.257 2.694 -3.236 1.00 0.00 C ATOM 1362 CD2 LEU A 88 -5.554 1.499 -1.847 1.00 0.00 C ATOM 0 H LEU A 88 -3.478 3.431 -4.469 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.539 0.812 -3.370 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -5.432 2.330 -5.189 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.799 0.765 -4.491 1.00 0.00 H new ATOM 0 HG LEU A 88 -5.238 3.309 -2.933 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.625 3.182 -2.333 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -7.394 3.358 -4.089 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -7.813 1.771 -3.402 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.944 2.004 -0.963 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -6.069 0.548 -1.979 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.486 1.319 -1.720 1.00 0.00 H new ATOM 1374 N LEU A 89 -3.088 1.081 -6.607 1.00 0.00 N ATOM 1375 CA LEU A 89 -2.638 0.352 -7.785 1.00 0.00 C ATOM 1376 C LEU A 89 -1.260 -0.245 -7.526 1.00 0.00 C ATOM 1377 O LEU A 89 -0.994 -1.402 -7.848 1.00 0.00 O ATOM 1378 CB LEU A 89 -2.581 1.293 -8.993 1.00 0.00 C ATOM 1379 CG LEU A 89 -2.239 0.623 -10.326 1.00 0.00 C ATOM 1380 CD1 LEU A 89 -3.306 -0.390 -10.708 1.00 0.00 C ATOM 1381 CD2 LEU A 89 -2.079 1.670 -11.419 1.00 0.00 C ATOM 0 H LEU A 89 -3.162 2.090 -6.739 1.00 0.00 H new ATOM 0 HA LEU A 89 -3.342 -0.453 -7.997 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.546 1.790 -9.092 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -1.841 2.069 -8.794 1.00 0.00 H new ATOM 0 HG LEU A 89 -1.293 0.093 -10.212 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -3.043 -0.854 -11.658 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.373 -1.156 -9.936 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.268 0.113 -10.804 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -1.836 1.178 -12.361 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -3.010 2.226 -11.529 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -1.276 2.357 -11.150 1.00 0.00 H new ATOM 1393 N ARG A 90 -0.408 0.562 -6.914 1.00 0.00 N ATOM 1394 CA ARG A 90 0.963 0.184 -6.602 1.00 0.00 C ATOM 1395 C ARG A 90 0.993 -1.016 -5.665 1.00 0.00 C ATOM 1396 O ARG A 90 1.809 -1.924 -5.826 1.00 0.00 O ATOM 1397 CB ARG A 90 1.666 1.378 -5.961 1.00 0.00 C ATOM 1398 CG ARG A 90 3.108 1.548 -6.384 1.00 0.00 C ATOM 1399 CD ARG A 90 3.612 2.934 -6.024 1.00 0.00 C ATOM 1400 NE ARG A 90 4.909 3.214 -6.621 1.00 0.00 N ATOM 1401 CZ ARG A 90 5.143 4.227 -7.454 1.00 0.00 C ATOM 1402 NH1 ARG A 90 4.171 5.080 -7.778 1.00 0.00 N ATOM 1403 NH2 ARG A 90 6.352 4.385 -7.970 1.00 0.00 N ATOM 0 H ARG A 90 -0.650 1.507 -6.617 1.00 0.00 H new ATOM 0 HA ARG A 90 1.479 -0.100 -7.519 1.00 0.00 H new ATOM 0 HB2 ARG A 90 1.116 2.286 -6.210 1.00 0.00 H new ATOM 0 HB3 ARG A 90 1.627 1.269 -4.877 1.00 0.00 H new ATOM 0 HG2 ARG A 90 3.726 0.793 -5.898 1.00 0.00 H new ATOM 0 HG3 ARG A 90 3.198 1.390 -7.459 1.00 0.00 H new ATOM 0 HD2 ARG A 90 2.891 3.680 -6.357 1.00 0.00 H new ATOM 0 HD3 ARG A 90 3.685 3.023 -4.940 1.00 0.00 H new ATOM 0 HE ARG A 90 5.687 2.597 -6.387 1.00 0.00 H new ATOM 0 HH11 ARG A 90 3.236 4.961 -7.387 1.00 0.00 H new ATOM 0 HH12 ARG A 90 4.362 5.852 -8.417 1.00 0.00 H new ATOM 0 HH21 ARG A 90 7.098 3.733 -7.729 1.00 0.00 H new ATOM 0 HH22 ARG A 90 6.537 5.159 -8.608 1.00 0.00 H new ATOM 1417 N LEU A 91 0.101 -1.006 -4.681 1.00 0.00 N ATOM 1418 CA LEU A 91 -0.014 -2.105 -3.727 1.00 0.00 C ATOM 1419 C LEU A 91 -0.313 -3.412 -4.448 1.00 0.00 C ATOM 1420 O LEU A 91 0.370 -4.418 -4.251 1.00 0.00 O ATOM 1421 CB LEU A 91 -1.135 -1.810 -2.728 1.00 0.00 C ATOM 1422 CG LEU A 91 -1.295 -2.829 -1.593 1.00 0.00 C ATOM 1423 CD1 LEU A 91 -0.045 -2.872 -0.730 1.00 0.00 C ATOM 1424 CD2 LEU A 91 -2.515 -2.500 -0.747 1.00 0.00 C ATOM 0 H LEU A 91 -0.558 -0.244 -4.522 1.00 0.00 H new ATOM 0 HA LEU A 91 0.934 -2.202 -3.198 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.957 -0.828 -2.289 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.077 -1.749 -3.273 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.439 -3.814 -2.037 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -0.179 -3.601 0.069 1.00 0.00 H new ATOM 0 HD12 LEU A 91 0.810 -3.158 -1.342 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.132 -1.888 -0.297 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -2.612 -3.234 0.053 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.401 -1.506 -0.315 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -3.408 -2.524 -1.371 1.00 0.00 H new ATOM 1436 N SER A 92 -1.331 -3.373 -5.288 1.00 0.00 N ATOM 1437 CA SER A 92 -1.753 -4.542 -6.046 1.00 0.00 C ATOM 1438 C SER A 92 -0.629 -5.036 -6.957 1.00 0.00 C ATOM 1439 O SER A 92 -0.345 -6.234 -7.019 1.00 0.00 O ATOM 1440 CB SER A 92 -2.996 -4.199 -6.869 1.00 0.00 C ATOM 1441 OG SER A 92 -4.005 -3.620 -6.052 1.00 0.00 O ATOM 0 H SER A 92 -1.887 -2.537 -5.465 1.00 0.00 H new ATOM 0 HA SER A 92 -1.995 -5.343 -5.348 1.00 0.00 H new ATOM 0 HB2 SER A 92 -2.728 -3.507 -7.667 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.382 -5.101 -7.345 1.00 0.00 H new ATOM 0 HG SER A 92 -3.801 -2.673 -5.901 1.00 0.00 H new ATOM 1447 N GLU A 93 0.019 -4.101 -7.642 1.00 0.00 N ATOM 1448 CA GLU A 93 1.131 -4.423 -8.529 1.00 0.00 C ATOM 1449 C GLU A 93 2.263 -5.110 -7.778 1.00 0.00 C ATOM 1450 O GLU A 93 2.859 -6.064 -8.282 1.00 0.00 O ATOM 1451 CB GLU A 93 1.647 -3.155 -9.202 1.00 0.00 C ATOM 1452 CG GLU A 93 0.958 -2.839 -10.518 1.00 0.00 C ATOM 1453 CD GLU A 93 1.242 -3.881 -11.585 1.00 0.00 C ATOM 1454 OE1 GLU A 93 2.415 -4.288 -11.726 1.00 0.00 O ATOM 1455 OE2 GLU A 93 0.296 -4.298 -12.291 1.00 0.00 O ATOM 0 H GLU A 93 -0.208 -3.108 -7.600 1.00 0.00 H new ATOM 0 HA GLU A 93 0.764 -5.114 -9.288 1.00 0.00 H new ATOM 0 HB2 GLU A 93 1.515 -2.314 -8.522 1.00 0.00 H new ATOM 0 HB3 GLU A 93 2.718 -3.258 -9.378 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -0.118 -2.774 -10.355 1.00 0.00 H new ATOM 0 HG3 GLU A 93 1.287 -1.862 -10.872 1.00 0.00 H new ATOM 1462 N LEU A 94 2.553 -4.629 -6.576 1.00 0.00 N ATOM 1463 CA LEU A 94 3.605 -5.214 -5.754 1.00 0.00 C ATOM 1464 C LEU A 94 3.279 -6.678 -5.461 1.00 0.00 C ATOM 1465 O LEU A 94 4.127 -7.557 -5.627 1.00 0.00 O ATOM 1466 CB LEU A 94 3.755 -4.412 -4.447 1.00 0.00 C ATOM 1467 CG LEU A 94 5.095 -4.557 -3.701 1.00 0.00 C ATOM 1468 CD1 LEU A 94 5.250 -5.940 -3.087 1.00 0.00 C ATOM 1469 CD2 LEU A 94 6.260 -4.255 -4.632 1.00 0.00 C ATOM 0 H LEU A 94 2.075 -3.836 -6.149 1.00 0.00 H new ATOM 0 HA LEU A 94 4.552 -5.173 -6.292 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.604 -3.357 -4.675 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.954 -4.710 -3.770 1.00 0.00 H new ATOM 0 HG LEU A 94 5.098 -3.832 -2.887 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.207 -6.003 -2.570 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.442 -6.116 -2.377 1.00 0.00 H new ATOM 0 HD13 LEU A 94 5.212 -6.694 -3.874 1.00 0.00 H new ATOM 0 HD21 LEU A 94 7.198 -4.362 -4.088 1.00 0.00 H new ATOM 0 HD22 LEU A 94 6.245 -4.951 -5.471 1.00 0.00 H new ATOM 0 HD23 LEU A 94 6.172 -3.235 -5.006 1.00 0.00 H new ATOM 1481 N ILE A 95 2.038 -6.927 -5.058 1.00 0.00 N ATOM 1482 CA ILE A 95 1.580 -8.276 -4.735 1.00 0.00 C ATOM 1483 C ILE A 95 1.750 -9.216 -5.931 1.00 0.00 C ATOM 1484 O ILE A 95 2.287 -10.317 -5.797 1.00 0.00 O ATOM 1485 CB ILE A 95 0.098 -8.272 -4.295 1.00 0.00 C ATOM 1486 CG1 ILE A 95 -0.087 -7.395 -3.050 1.00 0.00 C ATOM 1487 CG2 ILE A 95 -0.387 -9.691 -4.021 1.00 0.00 C ATOM 1488 CD1 ILE A 95 -1.530 -7.265 -2.608 1.00 0.00 C ATOM 0 H ILE A 95 1.325 -6.206 -4.946 1.00 0.00 H new ATOM 0 HA ILE A 95 2.194 -8.635 -3.909 1.00 0.00 H new ATOM 0 HB ILE A 95 -0.499 -7.856 -5.107 1.00 0.00 H new ATOM 0 HG12 ILE A 95 0.499 -7.813 -2.231 1.00 0.00 H new ATOM 0 HG13 ILE A 95 0.313 -6.402 -3.253 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -1.432 -9.665 -3.713 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -0.290 -10.290 -4.927 1.00 0.00 H new ATOM 0 HG23 ILE A 95 0.214 -10.134 -3.227 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -1.584 -6.631 -1.723 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -2.117 -6.818 -3.410 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -1.929 -8.252 -2.372 1.00 0.00 H new ATOM 1500 N VAL A 96 1.307 -8.764 -7.097 1.00 0.00 N ATOM 1501 CA VAL A 96 1.396 -9.561 -8.315 1.00 0.00 C ATOM 1502 C VAL A 96 2.854 -9.838 -8.687 1.00 0.00 C ATOM 1503 O VAL A 96 3.206 -10.952 -9.074 1.00 0.00 O ATOM 1504 CB VAL A 96 0.688 -8.866 -9.497 1.00 0.00 C ATOM 1505 CG1 VAL A 96 0.782 -9.707 -10.761 1.00 0.00 C ATOM 1506 CG2 VAL A 96 -0.765 -8.581 -9.161 1.00 0.00 C ATOM 0 H VAL A 96 0.881 -7.846 -7.226 1.00 0.00 H new ATOM 0 HA VAL A 96 0.894 -10.507 -8.113 1.00 0.00 H new ATOM 0 HB VAL A 96 1.195 -7.918 -9.679 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.275 -9.194 -11.578 1.00 0.00 H new ATOM 0 HG12 VAL A 96 1.830 -9.857 -11.021 1.00 0.00 H new ATOM 0 HG13 VAL A 96 0.309 -10.674 -10.591 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.245 -8.091 -10.008 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.279 -9.518 -8.945 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.816 -7.930 -8.289 1.00 0.00 H new ATOM 1516 N ASN A 97 3.700 -8.823 -8.550 1.00 0.00 N ATOM 1517 CA ASN A 97 5.106 -8.945 -8.902 1.00 0.00 C ATOM 1518 C ASN A 97 5.829 -9.916 -7.972 1.00 0.00 C ATOM 1519 O ASN A 97 6.669 -10.701 -8.414 1.00 0.00 O ATOM 1520 CB ASN A 97 5.776 -7.570 -8.855 1.00 0.00 C ATOM 1521 CG ASN A 97 5.702 -6.829 -10.182 1.00 0.00 C ATOM 1522 OD1 ASN A 97 6.588 -6.956 -11.028 1.00 0.00 O ATOM 1523 ND2 ASN A 97 4.648 -6.051 -10.374 1.00 0.00 N ATOM 0 H ASN A 97 3.433 -7.904 -8.196 1.00 0.00 H new ATOM 0 HA ASN A 97 5.169 -9.343 -9.915 1.00 0.00 H new ATOM 0 HB2 ASN A 97 5.302 -6.967 -8.081 1.00 0.00 H new ATOM 0 HB3 ASN A 97 6.821 -7.690 -8.570 1.00 0.00 H new ATOM 0 HD21 ASN A 97 4.550 -5.532 -11.246 1.00 0.00 H new ATOM 0 HD22 ASN A 97 3.934 -5.971 -9.650 1.00 0.00 H new ATOM 1530 N ALA A 98 5.473 -9.881 -6.692 1.00 0.00 N ATOM 1531 CA ALA A 98 6.123 -10.713 -5.682 1.00 0.00 C ATOM 1532 C ALA A 98 5.784 -12.191 -5.864 1.00 0.00 C ATOM 1533 O ALA A 98 6.427 -13.062 -5.278 1.00 0.00 O ATOM 1534 CB ALA A 98 5.732 -10.251 -4.290 1.00 0.00 C ATOM 0 H ALA A 98 4.733 -9.282 -6.327 1.00 0.00 H new ATOM 0 HA ALA A 98 7.200 -10.604 -5.806 1.00 0.00 H new ATOM 0 HB1 ALA A 98 6.223 -10.879 -3.547 1.00 0.00 H new ATOM 0 HB2 ALA A 98 6.041 -9.215 -4.150 1.00 0.00 H new ATOM 0 HB3 ALA A 98 4.651 -10.327 -4.172 1.00 0.00 H new ATOM 1540 N ALA A 99 4.765 -12.472 -6.663 1.00 0.00 N ATOM 1541 CA ALA A 99 4.375 -13.846 -6.933 1.00 0.00 C ATOM 1542 C ALA A 99 5.404 -14.539 -7.820 1.00 0.00 C ATOM 1543 O ALA A 99 5.668 -15.731 -7.670 1.00 0.00 O ATOM 1544 CB ALA A 99 2.995 -13.890 -7.574 1.00 0.00 C ATOM 0 H ALA A 99 4.196 -11.769 -7.134 1.00 0.00 H new ATOM 0 HA ALA A 99 4.333 -14.382 -5.985 1.00 0.00 H new ATOM 0 HB1 ALA A 99 2.718 -14.926 -7.770 1.00 0.00 H new ATOM 0 HB2 ALA A 99 2.266 -13.440 -6.900 1.00 0.00 H new ATOM 0 HB3 ALA A 99 3.012 -13.335 -8.512 1.00 0.00 H new ATOM 1550 N LYS A 100 5.994 -13.780 -8.738 1.00 0.00 N ATOM 1551 CA LYS A 100 6.981 -14.328 -9.661 1.00 0.00 C ATOM 1552 C LYS A 100 8.399 -14.093 -9.157 1.00 0.00 C ATOM 1553 O LYS A 100 9.339 -14.778 -9.568 1.00 0.00 O ATOM 1554 CB LYS A 100 6.807 -13.744 -11.069 1.00 0.00 C ATOM 1555 CG LYS A 100 5.689 -14.398 -11.877 1.00 0.00 C ATOM 1556 CD LYS A 100 4.318 -14.147 -11.266 1.00 0.00 C ATOM 1557 CE LYS A 100 3.247 -15.021 -11.896 1.00 0.00 C ATOM 1558 NZ LYS A 100 3.129 -14.802 -13.364 1.00 0.00 N ATOM 0 H LYS A 100 5.806 -12.785 -8.862 1.00 0.00 H new ATOM 0 HA LYS A 100 6.815 -15.404 -9.715 1.00 0.00 H new ATOM 0 HB2 LYS A 100 6.605 -12.676 -10.986 1.00 0.00 H new ATOM 0 HB3 LYS A 100 7.745 -13.850 -11.614 1.00 0.00 H new ATOM 0 HG2 LYS A 100 5.707 -14.013 -12.897 1.00 0.00 H new ATOM 0 HG3 LYS A 100 5.867 -15.472 -11.938 1.00 0.00 H new ATOM 0 HD2 LYS A 100 4.358 -14.339 -10.194 1.00 0.00 H new ATOM 0 HD3 LYS A 100 4.051 -13.098 -11.393 1.00 0.00 H new ATOM 0 HE2 LYS A 100 3.478 -16.069 -11.705 1.00 0.00 H new ATOM 0 HE3 LYS A 100 2.287 -14.814 -11.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 2.310 -15.329 -13.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 3.000 -13.788 -13.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 3.994 -15.136 -13.835 1.00 0.00 H new ATOM 1572 N LEU A 101 8.547 -13.127 -8.268 1.00 0.00 N ATOM 1573 CA LEU A 101 9.835 -12.823 -7.673 1.00 0.00 C ATOM 1574 C LEU A 101 10.084 -13.706 -6.457 1.00 0.00 C ATOM 1575 O LEU A 101 9.263 -13.761 -5.541 1.00 0.00 O ATOM 1576 CB LEU A 101 9.890 -11.350 -7.270 1.00 0.00 C ATOM 1577 CG LEU A 101 9.918 -10.352 -8.428 1.00 0.00 C ATOM 1578 CD1 LEU A 101 9.878 -8.926 -7.904 1.00 0.00 C ATOM 1579 CD2 LEU A 101 11.153 -10.571 -9.284 1.00 0.00 C ATOM 0 H LEU A 101 7.783 -12.535 -7.940 1.00 0.00 H new ATOM 0 HA LEU A 101 10.613 -13.021 -8.410 1.00 0.00 H new ATOM 0 HB2 LEU A 101 9.025 -11.130 -6.644 1.00 0.00 H new ATOM 0 HB3 LEU A 101 10.776 -11.192 -6.656 1.00 0.00 H new ATOM 0 HG LEU A 101 9.035 -10.514 -9.046 1.00 0.00 H new ATOM 0 HD11 LEU A 101 9.899 -8.230 -8.742 1.00 0.00 H new ATOM 0 HD12 LEU A 101 8.964 -8.775 -7.329 1.00 0.00 H new ATOM 0 HD13 LEU A 101 10.742 -8.749 -7.264 1.00 0.00 H new ATOM 0 HD21 LEU A 101 11.159 -9.853 -10.104 1.00 0.00 H new ATOM 0 HD22 LEU A 101 12.047 -10.434 -8.675 1.00 0.00 H new ATOM 0 HD23 LEU A 101 11.141 -11.583 -9.688 1.00 0.00 H new