USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 504 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 30 GLN : amide:sc= -0.567 K(o=-1.1,f=-0.0055) USER MOD Set 1.2: A 34 ASN : amide:sc= -0.558 K(o=-1.1,f=-0.0055) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -4.24! C(o=-4.2!,f=-4.1!) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.527 X(o=-0.53,f=-0.18) USER MOD Single : A 23 SER OG : rot -46:sc= 0.536 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 THR OG1 : rot 94:sc= 0.161 USER MOD Single : A 27 ASN : amide:sc= 0.195 X(o=0.19,f=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= -1.35 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 MET CE :methyl -94:sc= -0.204 (180deg=-1.32) USER MOD Single : A 38 GLN : amide:sc=-0.00869 X(o=-0.0087,f=0) USER MOD Single : A 39 GLN : amide:sc=-0.00505 K(o=-0.0051,f=-1.1) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.0189 X(o=-0.019,f=-0.0087) USER MOD Single : A 56 CYS SG : rot 35:sc= 0.00826 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 CYS SG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 CYS SG : rot 13:sc= 0.208 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -24.834 4.870 10.235 1.00 0.00 N ATOM 2 CA MET A 1 -24.902 4.044 9.042 1.00 0.00 C ATOM 3 C MET A 1 -23.512 3.546 8.639 1.00 0.00 C ATOM 4 O MET A 1 -22.573 4.332 8.537 1.00 0.00 O ATOM 5 CB MET A 1 -25.507 4.855 7.894 1.00 0.00 C ATOM 6 CG MET A 1 -26.912 4.356 7.550 1.00 0.00 C ATOM 7 SD MET A 1 -27.696 5.479 6.405 1.00 0.00 S ATOM 8 CE MET A 1 -29.158 4.538 6.000 1.00 0.00 C ATOM 0 H1 MET A 1 -25.789 5.195 10.487 1.00 0.00 H new ATOM 0 H2 MET A 1 -24.439 4.314 11.020 1.00 0.00 H new ATOM 0 H3 MET A 1 -24.225 5.693 10.053 1.00 0.00 H new ATOM 0 HA MET A 1 -25.528 3.178 9.257 1.00 0.00 H new ATOM 0 HB2 MET A 1 -25.549 5.908 8.171 1.00 0.00 H new ATOM 0 HB3 MET A 1 -24.866 4.782 7.015 1.00 0.00 H new ATOM 0 HG2 MET A 1 -26.856 3.359 7.113 1.00 0.00 H new ATOM 0 HG3 MET A 1 -27.510 4.273 8.458 1.00 0.00 H new ATOM 0 HE1 MET A 1 -29.766 5.098 5.289 1.00 0.00 H new ATOM 0 HE2 MET A 1 -28.867 3.586 5.557 1.00 0.00 H new ATOM 0 HE3 MET A 1 -29.735 4.355 6.906 1.00 0.00 H new ATOM 16 N ALA A 2 -23.427 2.242 8.421 1.00 0.00 N ATOM 17 CA ALA A 2 -22.168 1.630 8.031 1.00 0.00 C ATOM 18 C ALA A 2 -22.421 0.184 7.599 1.00 0.00 C ATOM 19 O ALA A 2 -23.276 -0.497 8.164 1.00 0.00 O ATOM 20 CB ALA A 2 -21.174 1.726 9.191 1.00 0.00 C ATOM 0 H ALA A 2 -24.209 1.593 8.507 1.00 0.00 H new ATOM 0 HA ALA A 2 -21.732 2.156 7.182 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -20.229 1.267 8.899 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -21.007 2.774 9.441 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -21.577 1.206 10.060 1.00 0.00 H new ATOM 26 N SER A 3 -21.663 -0.243 6.599 1.00 0.00 N ATOM 27 CA SER A 3 -21.795 -1.594 6.084 1.00 0.00 C ATOM 28 C SER A 3 -20.977 -1.747 4.799 1.00 0.00 C ATOM 29 O SER A 3 -20.605 -0.755 4.175 1.00 0.00 O ATOM 30 CB SER A 3 -23.261 -1.945 5.824 1.00 0.00 C ATOM 31 OG SER A 3 -23.949 -0.895 5.148 1.00 0.00 O ATOM 0 H SER A 3 -20.955 0.324 6.132 1.00 0.00 H new ATOM 0 HA SER A 3 -21.412 -2.284 6.836 1.00 0.00 H new ATOM 0 HB2 SER A 3 -23.316 -2.856 5.229 1.00 0.00 H new ATOM 0 HB3 SER A 3 -23.758 -2.153 6.772 1.00 0.00 H new ATOM 0 HG SER A 3 -24.881 -1.158 4.999 1.00 0.00 H new ATOM 36 N LEU A 4 -20.723 -2.997 4.443 1.00 0.00 N ATOM 37 CA LEU A 4 -19.957 -3.292 3.244 1.00 0.00 C ATOM 38 C LEU A 4 -20.632 -2.638 2.038 1.00 0.00 C ATOM 39 O LEU A 4 -19.958 -2.136 1.140 1.00 0.00 O ATOM 40 CB LEU A 4 -19.758 -4.802 3.094 1.00 0.00 C ATOM 41 CG LEU A 4 -18.424 -5.356 3.601 1.00 0.00 C ATOM 42 CD1 LEU A 4 -18.510 -6.867 3.829 1.00 0.00 C ATOM 43 CD2 LEU A 4 -17.280 -4.983 2.656 1.00 0.00 C ATOM 0 H LEU A 4 -21.034 -3.817 4.963 1.00 0.00 H new ATOM 0 HA LEU A 4 -18.956 -2.867 3.318 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -20.564 -5.309 3.624 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -19.858 -5.059 2.039 1.00 0.00 H new ATOM 0 HG LEU A 4 -18.207 -4.896 4.565 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -17.550 -7.236 4.189 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -19.281 -7.080 4.569 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -18.761 -7.363 2.891 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -16.344 -5.389 3.040 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -17.476 -5.396 1.667 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -17.204 -3.898 2.588 1.00 0.00 H new ATOM 54 N ILE A 5 -21.957 -2.664 2.056 1.00 0.00 N ATOM 55 CA ILE A 5 -22.732 -2.080 0.974 1.00 0.00 C ATOM 56 C ILE A 5 -22.345 -0.608 0.813 1.00 0.00 C ATOM 57 O ILE A 5 -22.205 -0.119 -0.306 1.00 0.00 O ATOM 58 CB ILE A 5 -24.228 -2.301 1.207 1.00 0.00 C ATOM 59 CG1 ILE A 5 -24.505 -3.731 1.675 1.00 0.00 C ATOM 60 CG2 ILE A 5 -25.037 -1.939 -0.041 1.00 0.00 C ATOM 61 CD1 ILE A 5 -23.685 -4.740 0.868 1.00 0.00 C ATOM 0 H ILE A 5 -22.513 -3.080 2.803 1.00 0.00 H new ATOM 0 HA ILE A 5 -22.504 -2.575 0.030 1.00 0.00 H new ATOM 0 HB ILE A 5 -24.551 -1.633 2.005 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -24.263 -3.824 2.734 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -25.567 -3.953 1.570 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -26.097 -2.105 0.152 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -24.873 -0.890 -0.289 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -24.718 -2.563 -0.875 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -23.900 -5.749 1.220 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -23.947 -4.661 -0.187 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -22.623 -4.530 0.995 1.00 0.00 H new ATOM 72 N GLN A 6 -22.185 0.056 1.948 1.00 0.00 N ATOM 73 CA GLN A 6 -21.817 1.462 1.947 1.00 0.00 C ATOM 74 C GLN A 6 -20.488 1.662 1.216 1.00 0.00 C ATOM 75 O GLN A 6 -20.396 2.476 0.298 1.00 0.00 O ATOM 76 CB GLN A 6 -21.748 2.011 3.373 1.00 0.00 C ATOM 77 CG GLN A 6 -23.005 2.815 3.713 1.00 0.00 C ATOM 78 CD GLN A 6 -22.655 4.060 4.530 1.00 0.00 C ATOM 79 OE1 GLN A 6 -23.198 4.308 5.595 1.00 0.00 O ATOM 80 NE2 GLN A 6 -21.720 4.826 3.976 1.00 0.00 N ATOM 0 H GLN A 6 -22.303 -0.353 2.875 1.00 0.00 H new ATOM 0 HA GLN A 6 -22.588 2.020 1.416 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -21.637 1.188 4.078 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -20.867 2.644 3.481 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -23.512 3.109 2.794 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -23.700 2.190 4.275 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -21.306 4.560 3.082 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -21.416 5.679 4.445 1.00 0.00 H new ATOM 87 N VAL A 7 -19.490 0.906 1.651 1.00 0.00 N ATOM 88 CA VAL A 7 -18.170 0.991 1.050 1.00 0.00 C ATOM 89 C VAL A 7 -18.239 0.488 -0.393 1.00 0.00 C ATOM 90 O VAL A 7 -17.737 1.142 -1.306 1.00 0.00 O ATOM 91 CB VAL A 7 -17.157 0.224 1.903 1.00 0.00 C ATOM 92 CG1 VAL A 7 -15.798 0.147 1.203 1.00 0.00 C ATOM 93 CG2 VAL A 7 -17.023 0.851 3.292 1.00 0.00 C ATOM 0 H VAL A 7 -19.569 0.232 2.412 1.00 0.00 H new ATOM 0 HA VAL A 7 -17.830 2.026 1.018 1.00 0.00 H new ATOM 0 HB VAL A 7 -17.528 -0.793 2.029 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -15.096 -0.403 1.830 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -15.909 -0.366 0.247 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -15.419 1.155 1.032 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -16.297 0.287 3.877 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -16.687 1.883 3.194 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -17.990 0.830 3.795 1.00 0.00 H new ATOM 103 N ARG A 8 -18.865 -0.669 -0.555 1.00 0.00 N ATOM 104 CA ARG A 8 -19.005 -1.266 -1.871 1.00 0.00 C ATOM 105 C ARG A 8 -19.607 -0.256 -2.851 1.00 0.00 C ATOM 106 O ARG A 8 -19.192 -0.185 -4.007 1.00 0.00 O ATOM 107 CB ARG A 8 -19.894 -2.510 -1.820 1.00 0.00 C ATOM 108 CG ARG A 8 -19.122 -3.715 -1.281 1.00 0.00 C ATOM 109 CD ARG A 8 -19.563 -5.004 -1.975 1.00 0.00 C ATOM 110 NE ARG A 8 -19.192 -4.962 -3.407 1.00 0.00 N ATOM 111 CZ ARG A 8 -19.600 -5.867 -4.322 1.00 0.00 C ATOM 112 NH1 ARG A 8 -20.398 -6.894 -3.961 1.00 0.00 N ATOM 113 NH2 ARG A 8 -19.206 -5.732 -5.574 1.00 0.00 N ATOM 0 H ARG A 8 -19.281 -1.208 0.204 1.00 0.00 H new ATOM 0 HA ARG A 8 -18.011 -1.558 -2.210 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -20.760 -2.316 -1.187 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -20.271 -2.733 -2.818 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -18.053 -3.564 -1.432 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -19.283 -3.803 -0.206 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -19.095 -5.863 -1.495 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -20.641 -5.130 -1.874 1.00 0.00 H new ATOM 0 HE ARG A 8 -18.590 -4.201 -3.723 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -20.697 -6.991 -2.991 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -20.702 -7.573 -4.659 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -18.603 -4.953 -5.838 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -19.505 -6.407 -6.278 1.00 0.00 H new ATOM 123 N ASP A 9 -20.576 0.497 -2.352 1.00 0.00 N ATOM 124 CA ASP A 9 -21.239 1.499 -3.169 1.00 0.00 C ATOM 125 C ASP A 9 -20.312 2.704 -3.343 1.00 0.00 C ATOM 126 O ASP A 9 -20.136 3.201 -4.455 1.00 0.00 O ATOM 127 CB ASP A 9 -22.528 1.987 -2.503 1.00 0.00 C ATOM 128 CG ASP A 9 -23.585 2.533 -3.465 1.00 0.00 C ATOM 129 OD1 ASP A 9 -24.243 3.546 -3.183 1.00 0.00 O ATOM 130 OD2 ASP A 9 -23.725 1.864 -4.559 1.00 0.00 O ATOM 0 H ASP A 9 -20.918 0.434 -1.393 1.00 0.00 H new ATOM 0 HA ASP A 9 -21.478 1.046 -4.131 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -22.963 1.162 -1.939 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -22.275 2.766 -1.784 1.00 0.00 H new ATOM 135 N LEU A 10 -19.744 3.140 -2.229 1.00 0.00 N ATOM 136 CA LEU A 10 -18.840 4.277 -2.245 1.00 0.00 C ATOM 137 C LEU A 10 -17.680 3.987 -3.200 1.00 0.00 C ATOM 138 O LEU A 10 -17.372 4.798 -4.072 1.00 0.00 O ATOM 139 CB LEU A 10 -18.393 4.626 -0.824 1.00 0.00 C ATOM 140 CG LEU A 10 -19.099 5.817 -0.173 1.00 0.00 C ATOM 141 CD1 LEU A 10 -19.048 7.048 -1.080 1.00 0.00 C ATOM 142 CD2 LEU A 10 -20.533 5.456 0.222 1.00 0.00 C ATOM 0 H LEU A 10 -19.892 2.726 -1.309 1.00 0.00 H new ATOM 0 HA LEU A 10 -19.350 5.164 -2.621 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -18.542 3.751 -0.192 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -17.322 4.828 -0.841 1.00 0.00 H new ATOM 0 HG LEU A 10 -18.566 6.070 0.744 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -19.557 7.880 -0.593 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -18.009 7.318 -1.268 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -19.542 6.824 -2.026 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -21.012 6.320 0.682 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -21.092 5.162 -0.666 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -20.518 4.629 0.932 1.00 0.00 H new ATOM 153 N LEU A 11 -17.069 2.828 -3.003 1.00 0.00 N ATOM 154 CA LEU A 11 -15.950 2.422 -3.836 1.00 0.00 C ATOM 155 C LEU A 11 -16.372 2.464 -5.306 1.00 0.00 C ATOM 156 O LEU A 11 -15.534 2.632 -6.192 1.00 0.00 O ATOM 157 CB LEU A 11 -15.416 1.060 -3.389 1.00 0.00 C ATOM 158 CG LEU A 11 -14.315 1.086 -2.327 1.00 0.00 C ATOM 159 CD1 LEU A 11 -13.744 -0.314 -2.094 1.00 0.00 C ATOM 160 CD2 LEU A 11 -13.225 2.096 -2.693 1.00 0.00 C ATOM 0 H LEU A 11 -17.328 2.158 -2.279 1.00 0.00 H new ATOM 0 HA LEU A 11 -15.119 3.118 -3.722 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -16.250 0.473 -3.004 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -15.035 0.536 -4.266 1.00 0.00 H new ATOM 0 HG LEU A 11 -14.756 1.414 -1.386 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -12.963 -0.267 -1.335 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -14.539 -0.980 -1.757 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -13.323 -0.695 -3.024 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -12.454 2.095 -1.922 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -12.781 1.822 -3.650 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -13.662 3.092 -2.768 1.00 0.00 H new ATOM 171 N ALA A 12 -17.671 2.309 -5.521 1.00 0.00 N ATOM 172 CA ALA A 12 -18.213 2.327 -6.868 1.00 0.00 C ATOM 173 C ALA A 12 -18.501 3.773 -7.278 1.00 0.00 C ATOM 174 O ALA A 12 -17.956 4.262 -8.266 1.00 0.00 O ATOM 175 CB ALA A 12 -19.462 1.444 -6.927 1.00 0.00 C ATOM 0 H ALA A 12 -18.363 2.170 -4.784 1.00 0.00 H new ATOM 0 HA ALA A 12 -17.492 1.921 -7.578 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -19.869 1.457 -7.938 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -19.198 0.422 -6.655 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -20.209 1.823 -6.230 1.00 0.00 H new ATOM 181 N LEU A 13 -19.357 4.416 -6.497 1.00 0.00 N ATOM 182 CA LEU A 13 -19.724 5.797 -6.767 1.00 0.00 C ATOM 183 C LEU A 13 -18.459 6.657 -6.806 1.00 0.00 C ATOM 184 O LEU A 13 -18.162 7.284 -7.822 1.00 0.00 O ATOM 185 CB LEU A 13 -20.766 6.281 -5.757 1.00 0.00 C ATOM 186 CG LEU A 13 -22.219 5.911 -6.063 1.00 0.00 C ATOM 187 CD1 LEU A 13 -22.616 6.370 -7.468 1.00 0.00 C ATOM 188 CD2 LEU A 13 -22.458 4.413 -5.860 1.00 0.00 C ATOM 0 H LEU A 13 -19.807 4.007 -5.678 1.00 0.00 H new ATOM 0 HA LEU A 13 -20.198 5.882 -7.745 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -20.508 5.878 -4.777 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -20.696 7.366 -5.684 1.00 0.00 H new ATOM 0 HG LEU A 13 -22.862 6.437 -5.358 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -23.653 6.095 -7.661 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -22.508 7.452 -7.541 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -21.970 5.890 -8.204 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -23.498 4.177 -6.084 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -21.806 3.847 -6.525 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -22.240 4.147 -4.826 1.00 0.00 H new ATOM 199 N ARG A 14 -17.748 6.659 -5.688 1.00 0.00 N ATOM 200 CA ARG A 14 -16.523 7.433 -5.582 1.00 0.00 C ATOM 201 C ARG A 14 -15.400 6.759 -6.374 1.00 0.00 C ATOM 202 O ARG A 14 -14.351 7.359 -6.602 1.00 0.00 O ATOM 203 CB ARG A 14 -16.090 7.579 -4.122 1.00 0.00 C ATOM 204 CG ARG A 14 -16.871 8.697 -3.428 1.00 0.00 C ATOM 205 CD ARG A 14 -18.336 8.695 -3.867 1.00 0.00 C ATOM 206 NE ARG A 14 -19.084 9.747 -3.141 1.00 0.00 N ATOM 207 CZ ARG A 14 -20.196 10.349 -3.614 1.00 0.00 C ATOM 208 NH1 ARG A 14 -20.701 10.006 -4.819 1.00 0.00 N ATOM 209 NH2 ARG A 14 -20.782 11.276 -2.882 1.00 0.00 N ATOM 0 H ARG A 14 -17.997 6.137 -4.848 1.00 0.00 H new ATOM 0 HA ARG A 14 -16.719 8.423 -5.993 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -16.250 6.638 -3.596 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -15.022 7.793 -4.075 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -16.811 8.571 -2.347 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -16.419 9.661 -3.662 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -18.402 8.866 -4.941 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -18.782 7.720 -3.671 1.00 0.00 H new ATOM 0 HE ARG A 14 -18.737 10.035 -2.226 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -20.242 9.287 -5.379 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -21.542 10.466 -5.169 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -20.394 11.529 -1.973 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -21.623 11.741 -3.225 1.00 0.00 H new ATOM 219 N GLY A 15 -15.660 5.523 -6.773 1.00 0.00 N ATOM 220 CA GLY A 15 -14.684 4.762 -7.536 1.00 0.00 C ATOM 221 C GLY A 15 -13.505 4.344 -6.655 1.00 0.00 C ATOM 222 O GLY A 15 -13.686 4.015 -5.483 1.00 0.00 O ATOM 0 H GLY A 15 -16.532 5.029 -6.583 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -15.158 3.877 -7.959 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -14.323 5.361 -8.372 1.00 0.00 H new ATOM 226 N ARG A 16 -12.323 4.372 -7.253 1.00 0.00 N ATOM 227 CA ARG A 16 -11.114 4.000 -6.537 1.00 0.00 C ATOM 228 C ARG A 16 -10.677 5.135 -5.609 1.00 0.00 C ATOM 229 O ARG A 16 -10.439 6.254 -6.059 1.00 0.00 O ATOM 230 CB ARG A 16 -9.976 3.678 -7.508 1.00 0.00 C ATOM 231 CG ARG A 16 -9.797 4.800 -8.534 1.00 0.00 C ATOM 232 CD ARG A 16 -8.314 5.084 -8.782 1.00 0.00 C ATOM 233 NE ARG A 16 -8.104 5.479 -10.193 1.00 0.00 N ATOM 234 CZ ARG A 16 -8.573 6.622 -10.736 1.00 0.00 C ATOM 235 NH1 ARG A 16 -9.285 7.494 -9.990 1.00 0.00 N ATOM 236 NH2 ARG A 16 -8.326 6.875 -12.009 1.00 0.00 N ATOM 0 H ARG A 16 -12.177 4.646 -8.224 1.00 0.00 H new ATOM 0 HA ARG A 16 -11.337 3.110 -5.949 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -9.049 3.536 -6.953 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -10.186 2.740 -8.022 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -10.279 4.521 -9.471 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -10.290 5.705 -8.179 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -7.971 5.878 -8.118 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -7.722 4.198 -8.552 1.00 0.00 H new ATOM 0 HE ARG A 16 -7.572 4.848 -10.792 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -9.472 7.291 -9.008 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -9.636 8.356 -10.409 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -7.788 6.211 -12.566 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -8.673 7.734 -12.435 1.00 0.00 H new ATOM 246 N MET A 17 -10.584 4.806 -4.328 1.00 0.00 N ATOM 247 CA MET A 17 -10.179 5.784 -3.332 1.00 0.00 C ATOM 248 C MET A 17 -9.526 5.102 -2.128 1.00 0.00 C ATOM 249 O MET A 17 -9.482 3.874 -2.054 1.00 0.00 O ATOM 250 CB MET A 17 -11.404 6.575 -2.868 1.00 0.00 C ATOM 251 CG MET A 17 -11.841 7.583 -3.933 1.00 0.00 C ATOM 252 SD MET A 17 -10.537 8.764 -4.230 1.00 0.00 S ATOM 253 CE MET A 17 -11.267 9.707 -5.558 1.00 0.00 C ATOM 0 H MET A 17 -10.782 3.877 -3.957 1.00 0.00 H new ATOM 0 HA MET A 17 -9.450 6.456 -3.784 1.00 0.00 H new ATOM 0 HB2 MET A 17 -12.224 5.890 -2.653 1.00 0.00 H new ATOM 0 HB3 MET A 17 -11.174 7.098 -1.940 1.00 0.00 H new ATOM 0 HG2 MET A 17 -12.088 7.062 -4.858 1.00 0.00 H new ATOM 0 HG3 MET A 17 -12.743 8.100 -3.607 1.00 0.00 H new ATOM 0 HE1 MET A 17 -10.579 10.494 -5.867 1.00 0.00 H new ATOM 0 HE2 MET A 17 -11.469 9.049 -6.403 1.00 0.00 H new ATOM 0 HE3 MET A 17 -12.200 10.155 -5.216 1.00 0.00 H new ATOM 261 N GLU A 18 -9.035 5.927 -1.216 1.00 0.00 N ATOM 262 CA GLU A 18 -8.386 5.418 -0.019 1.00 0.00 C ATOM 263 C GLU A 18 -9.430 5.071 1.044 1.00 0.00 C ATOM 264 O GLU A 18 -10.566 5.536 0.979 1.00 0.00 O ATOM 265 CB GLU A 18 -7.367 6.424 0.521 1.00 0.00 C ATOM 266 CG GLU A 18 -8.013 7.793 0.746 1.00 0.00 C ATOM 267 CD GLU A 18 -7.697 8.745 -0.409 1.00 0.00 C ATOM 268 OE1 GLU A 18 -7.021 9.764 -0.206 1.00 0.00 O ATOM 269 OE2 GLU A 18 -8.180 8.394 -1.552 1.00 0.00 O ATOM 0 H GLU A 18 -9.073 6.944 -1.281 1.00 0.00 H new ATOM 0 HA GLU A 18 -7.846 4.508 -0.280 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -6.950 6.056 1.459 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.539 6.520 -0.181 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.093 7.678 0.842 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.653 8.219 1.682 1.00 0.00 H new ATOM 275 N ALA A 19 -9.006 4.255 1.999 1.00 0.00 N ATOM 276 CA ALA A 19 -9.890 3.839 3.074 1.00 0.00 C ATOM 277 C ALA A 19 -10.210 5.045 3.960 1.00 0.00 C ATOM 278 O ALA A 19 -11.348 5.215 4.397 1.00 0.00 O ATOM 279 CB ALA A 19 -9.239 2.698 3.857 1.00 0.00 C ATOM 0 H ALA A 19 -8.062 3.871 2.050 1.00 0.00 H new ATOM 0 HA ALA A 19 -10.832 3.464 2.673 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -9.902 2.386 4.664 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -9.058 1.856 3.189 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -8.292 3.038 4.277 1.00 0.00 H new ATOM 285 N ALA A 20 -9.187 5.853 4.198 1.00 0.00 N ATOM 286 CA ALA A 20 -9.347 7.039 5.023 1.00 0.00 C ATOM 287 C ALA A 20 -10.619 7.779 4.606 1.00 0.00 C ATOM 288 O ALA A 20 -11.340 8.307 5.451 1.00 0.00 O ATOM 289 CB ALA A 20 -8.098 7.914 4.905 1.00 0.00 C ATOM 0 H ALA A 20 -8.245 5.710 3.834 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.456 6.765 6.072 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -8.217 8.804 5.523 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.227 7.352 5.242 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -7.959 8.211 3.865 1.00 0.00 H new ATOM 295 N GLN A 21 -10.856 7.793 3.302 1.00 0.00 N ATOM 296 CA GLN A 21 -12.029 8.459 2.762 1.00 0.00 C ATOM 297 C GLN A 21 -13.286 7.631 3.041 1.00 0.00 C ATOM 298 O GLN A 21 -14.279 8.153 3.545 1.00 0.00 O ATOM 299 CB GLN A 21 -11.868 8.725 1.264 1.00 0.00 C ATOM 300 CG GLN A 21 -11.427 10.167 1.008 1.00 0.00 C ATOM 301 CD GLN A 21 -12.530 10.961 0.305 1.00 0.00 C ATOM 302 OE1 GLN A 21 -12.865 12.073 0.678 1.00 0.00 O ATOM 303 NE2 GLN A 21 -13.076 10.329 -0.731 1.00 0.00 N ATOM 0 H GLN A 21 -10.256 7.354 2.604 1.00 0.00 H new ATOM 0 HA GLN A 21 -12.136 9.423 3.259 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -11.134 8.037 0.846 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -12.812 8.533 0.753 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -11.175 10.647 1.953 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -10.524 10.172 0.397 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -12.749 9.398 -0.991 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -13.822 10.775 -1.265 1.00 0.00 H new ATOM 310 N ILE A 22 -13.201 6.354 2.700 1.00 0.00 N ATOM 311 CA ILE A 22 -14.318 5.449 2.906 1.00 0.00 C ATOM 312 C ILE A 22 -14.773 5.531 4.364 1.00 0.00 C ATOM 313 O ILE A 22 -15.956 5.723 4.640 1.00 0.00 O ATOM 314 CB ILE A 22 -13.951 4.033 2.456 1.00 0.00 C ATOM 315 CG1 ILE A 22 -13.703 3.984 0.946 1.00 0.00 C ATOM 316 CG2 ILE A 22 -15.016 3.025 2.894 1.00 0.00 C ATOM 317 CD1 ILE A 22 -12.655 2.926 0.597 1.00 0.00 C ATOM 0 H ILE A 22 -12.375 5.925 2.282 1.00 0.00 H new ATOM 0 HA ILE A 22 -15.166 5.745 2.289 1.00 0.00 H new ATOM 0 HB ILE A 22 -13.019 3.750 2.945 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -14.636 3.762 0.428 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -13.369 4.961 0.597 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -14.731 2.027 2.562 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -15.101 3.035 3.981 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -15.975 3.294 2.452 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -12.498 2.912 -0.481 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -11.717 3.164 1.098 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -13.003 1.947 0.926 1.00 0.00 H new ATOM 328 N SER A 23 -13.809 5.382 5.261 1.00 0.00 N ATOM 329 CA SER A 23 -14.096 5.437 6.684 1.00 0.00 C ATOM 330 C SER A 23 -14.804 6.750 7.025 1.00 0.00 C ATOM 331 O SER A 23 -15.754 6.763 7.807 1.00 0.00 O ATOM 332 CB SER A 23 -12.815 5.295 7.510 1.00 0.00 C ATOM 333 OG SER A 23 -12.036 6.488 7.496 1.00 0.00 O ATOM 0 H SER A 23 -12.828 5.223 5.030 1.00 0.00 H new ATOM 0 HA SER A 23 -14.752 4.603 6.933 1.00 0.00 H new ATOM 0 HB2 SER A 23 -13.073 5.042 8.538 1.00 0.00 H new ATOM 0 HB3 SER A 23 -12.221 4.469 7.118 1.00 0.00 H new ATOM 0 HG SER A 23 -11.975 6.828 6.579 1.00 0.00 H new ATOM 338 N GLN A 24 -14.314 7.823 6.422 1.00 0.00 N ATOM 339 CA GLN A 24 -14.888 9.138 6.651 1.00 0.00 C ATOM 340 C GLN A 24 -16.366 9.147 6.259 1.00 0.00 C ATOM 341 O GLN A 24 -17.204 9.673 6.991 1.00 0.00 O ATOM 342 CB GLN A 24 -14.112 10.216 5.890 1.00 0.00 C ATOM 343 CG GLN A 24 -13.245 11.043 6.842 1.00 0.00 C ATOM 344 CD GLN A 24 -12.773 12.334 6.173 1.00 0.00 C ATOM 345 OE1 GLN A 24 -13.151 13.432 6.547 1.00 0.00 O ATOM 346 NE2 GLN A 24 -11.928 12.142 5.163 1.00 0.00 N ATOM 0 H GLN A 24 -13.526 7.809 5.775 1.00 0.00 H new ATOM 0 HA GLN A 24 -14.813 9.366 7.714 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -13.483 9.749 5.132 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -14.809 10.870 5.367 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -13.813 11.282 7.741 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -12.382 10.456 7.156 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -11.652 11.195 4.902 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -11.556 12.941 4.650 1.00 0.00 H new ATOM 353 N THR A 25 -16.643 8.562 5.103 1.00 0.00 N ATOM 354 CA THR A 25 -18.006 8.496 4.605 1.00 0.00 C ATOM 355 C THR A 25 -18.965 8.086 5.724 1.00 0.00 C ATOM 356 O THR A 25 -20.008 8.708 5.913 1.00 0.00 O ATOM 357 CB THR A 25 -18.027 7.543 3.408 1.00 0.00 C ATOM 358 OG1 THR A 25 -17.040 8.072 2.527 1.00 0.00 O ATOM 359 CG2 THR A 25 -19.328 7.636 2.608 1.00 0.00 C ATOM 0 H THR A 25 -15.946 8.129 4.497 1.00 0.00 H new ATOM 0 HA THR A 25 -18.350 9.474 4.267 1.00 0.00 H new ATOM 0 HB THR A 25 -17.887 6.520 3.756 1.00 0.00 H new ATOM 0 HG1 THR A 25 -16.183 7.627 2.691 1.00 0.00 H new ATOM 0 HG21 THR A 25 -19.291 6.940 1.770 1.00 0.00 H new ATOM 0 HG22 THR A 25 -20.170 7.384 3.252 1.00 0.00 H new ATOM 0 HG23 THR A 25 -19.451 8.651 2.231 1.00 0.00 H new ATOM 367 N LEU A 26 -18.576 7.039 6.439 1.00 0.00 N ATOM 368 CA LEU A 26 -19.387 6.538 7.535 1.00 0.00 C ATOM 369 C LEU A 26 -18.736 6.925 8.864 1.00 0.00 C ATOM 370 O LEU A 26 -18.943 6.260 9.878 1.00 0.00 O ATOM 371 CB LEU A 26 -19.625 5.035 7.381 1.00 0.00 C ATOM 372 CG LEU A 26 -18.606 4.278 6.528 1.00 0.00 C ATOM 373 CD1 LEU A 26 -18.603 2.787 6.870 1.00 0.00 C ATOM 374 CD2 LEU A 26 -18.849 4.523 5.037 1.00 0.00 C ATOM 0 H LEU A 26 -17.710 6.525 6.280 1.00 0.00 H new ATOM 0 HA LEU A 26 -20.375 6.997 7.519 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -19.642 4.586 8.374 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -20.614 4.887 6.947 1.00 0.00 H new ATOM 0 HG LEU A 26 -17.613 4.663 6.761 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -17.870 2.273 6.249 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -18.345 2.655 7.921 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -19.592 2.369 6.684 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -18.111 3.973 4.453 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -19.849 4.182 4.771 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -18.760 5.588 4.824 1.00 0.00 H new ATOM 385 N ASN A 27 -17.962 8.000 8.817 1.00 0.00 N ATOM 386 CA ASN A 27 -17.279 8.483 10.005 1.00 0.00 C ATOM 387 C ASN A 27 -16.814 7.290 10.842 1.00 0.00 C ATOM 388 O ASN A 27 -16.804 7.355 12.070 1.00 0.00 O ATOM 389 CB ASN A 27 -18.213 9.332 10.870 1.00 0.00 C ATOM 390 CG ASN A 27 -17.466 10.518 11.484 1.00 0.00 C ATOM 391 OD1 ASN A 27 -17.448 11.615 10.953 1.00 0.00 O ATOM 392 ND2 ASN A 27 -16.851 10.235 12.628 1.00 0.00 N ATOM 0 H ASN A 27 -17.793 8.550 7.975 1.00 0.00 H new ATOM 0 HA ASN A 27 -16.433 9.090 9.684 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -19.044 9.695 10.266 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -18.640 8.717 11.662 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -16.323 10.959 13.116 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -16.907 9.294 13.018 1.00 0.00 H new ATOM 398 N THR A 28 -16.440 6.227 10.143 1.00 0.00 N ATOM 399 CA THR A 28 -15.975 5.021 10.806 1.00 0.00 C ATOM 400 C THR A 28 -14.480 5.125 11.114 1.00 0.00 C ATOM 401 O THR A 28 -13.782 5.961 10.542 1.00 0.00 O ATOM 402 CB THR A 28 -16.333 3.827 9.920 1.00 0.00 C ATOM 403 OG1 THR A 28 -16.933 2.897 10.817 1.00 0.00 O ATOM 404 CG2 THR A 28 -15.095 3.095 9.397 1.00 0.00 C ATOM 0 H THR A 28 -16.450 6.177 9.124 1.00 0.00 H new ATOM 0 HA THR A 28 -16.464 4.885 11.771 1.00 0.00 H new ATOM 0 HB THR A 28 -16.936 4.167 9.078 1.00 0.00 H new ATOM 0 HG1 THR A 28 -17.198 2.092 10.325 1.00 0.00 H new ATOM 0 HG21 THR A 28 -15.405 2.256 8.774 1.00 0.00 H new ATOM 0 HG22 THR A 28 -14.489 3.782 8.806 1.00 0.00 H new ATOM 0 HG23 THR A 28 -14.509 2.725 10.238 1.00 0.00 H new ATOM 412 N PRO A 29 -14.022 4.240 12.039 1.00 0.00 N ATOM 413 CA PRO A 29 -12.622 4.224 12.429 1.00 0.00 C ATOM 414 C PRO A 29 -11.757 3.586 11.340 1.00 0.00 C ATOM 415 O PRO A 29 -12.122 2.557 10.775 1.00 0.00 O ATOM 416 CB PRO A 29 -12.588 3.455 13.740 1.00 0.00 C ATOM 417 CG PRO A 29 -13.890 2.674 13.799 1.00 0.00 C ATOM 418 CD PRO A 29 -14.820 3.235 12.736 1.00 0.00 C ATOM 0 HA PRO A 29 -12.210 5.225 12.558 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -11.729 2.785 13.778 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -12.501 4.133 14.589 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -13.707 1.614 13.625 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -14.343 2.761 14.787 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -15.158 2.455 12.054 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -15.711 3.676 13.182 1.00 0.00 H new ATOM 423 N GLN A 30 -10.625 4.224 11.079 1.00 0.00 N ATOM 424 CA GLN A 30 -9.705 3.733 10.068 1.00 0.00 C ATOM 425 C GLN A 30 -9.553 2.215 10.181 1.00 0.00 C ATOM 426 O GLN A 30 -9.723 1.494 9.198 1.00 0.00 O ATOM 427 CB GLN A 30 -8.347 4.429 10.176 1.00 0.00 C ATOM 428 CG GLN A 30 -7.887 4.951 8.813 1.00 0.00 C ATOM 429 CD GLN A 30 -7.297 3.822 7.965 1.00 0.00 C ATOM 430 OE1 GLN A 30 -6.275 3.240 8.287 1.00 0.00 O ATOM 431 NE2 GLN A 30 -7.996 3.549 6.867 1.00 0.00 N ATOM 0 H GLN A 30 -10.325 5.077 11.551 1.00 0.00 H new ATOM 0 HA GLN A 30 -10.118 3.966 9.086 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.414 5.256 10.882 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.608 3.732 10.571 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -8.730 5.402 8.289 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -7.142 5.734 8.952 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -8.844 4.076 6.658 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -7.684 2.812 6.234 1.00 0.00 H new ATOM 438 N PRO A 31 -9.227 1.760 11.420 1.00 0.00 N ATOM 439 CA PRO A 31 -9.050 0.341 11.676 1.00 0.00 C ATOM 440 C PRO A 31 -10.399 -0.379 11.730 1.00 0.00 C ATOM 441 O PRO A 31 -10.699 -1.070 12.701 1.00 0.00 O ATOM 442 CB PRO A 31 -8.285 0.269 12.988 1.00 0.00 C ATOM 443 CG PRO A 31 -8.467 1.624 13.651 1.00 0.00 C ATOM 444 CD PRO A 31 -9.017 2.584 12.608 1.00 0.00 C ATOM 0 HA PRO A 31 -8.500 -0.164 10.882 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -8.670 -0.530 13.621 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -7.230 0.058 12.814 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -9.151 1.546 14.496 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -7.517 1.988 14.042 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -9.948 3.041 12.943 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -8.317 3.395 12.408 1.00 0.00 H new ATOM 449 N MET A 32 -11.177 -0.190 10.674 1.00 0.00 N ATOM 450 CA MET A 32 -12.487 -0.812 10.590 1.00 0.00 C ATOM 451 C MET A 32 -12.795 -1.249 9.156 1.00 0.00 C ATOM 452 O MET A 32 -13.285 -2.354 8.932 1.00 0.00 O ATOM 453 CB MET A 32 -13.555 0.178 11.062 1.00 0.00 C ATOM 454 CG MET A 32 -14.835 -0.552 11.473 1.00 0.00 C ATOM 455 SD MET A 32 -14.827 -0.856 13.231 1.00 0.00 S ATOM 456 CE MET A 32 -16.579 -0.795 13.565 1.00 0.00 C ATOM 0 H MET A 32 -10.925 0.385 9.870 1.00 0.00 H new ATOM 0 HA MET A 32 -12.490 -1.695 11.229 1.00 0.00 H new ATOM 0 HB2 MET A 32 -13.174 0.755 11.905 1.00 0.00 H new ATOM 0 HB3 MET A 32 -13.777 0.887 10.265 1.00 0.00 H new ATOM 0 HG2 MET A 32 -15.706 0.045 11.203 1.00 0.00 H new ATOM 0 HG3 MET A 32 -14.915 -1.495 10.933 1.00 0.00 H new ATOM 0 HE1 MET A 32 -16.753 -0.967 14.627 1.00 0.00 H new ATOM 0 HE2 MET A 32 -16.969 0.184 13.287 1.00 0.00 H new ATOM 0 HE3 MET A 32 -17.087 -1.565 12.985 1.00 0.00 H new ATOM 464 N ILE A 33 -12.495 -0.358 8.222 1.00 0.00 N ATOM 465 CA ILE A 33 -12.733 -0.638 6.817 1.00 0.00 C ATOM 466 C ILE A 33 -11.632 -1.559 6.290 1.00 0.00 C ATOM 467 O ILE A 33 -11.887 -2.420 5.450 1.00 0.00 O ATOM 468 CB ILE A 33 -12.874 0.666 6.027 1.00 0.00 C ATOM 469 CG1 ILE A 33 -14.044 1.502 6.551 1.00 0.00 C ATOM 470 CG2 ILE A 33 -12.994 0.388 4.528 1.00 0.00 C ATOM 471 CD1 ILE A 33 -15.383 0.874 6.160 1.00 0.00 C ATOM 0 H ILE A 33 -12.089 0.558 8.411 1.00 0.00 H new ATOM 0 HA ILE A 33 -13.678 -1.166 6.689 1.00 0.00 H new ATOM 0 HB ILE A 33 -11.968 1.254 6.174 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -13.980 1.585 7.636 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -13.981 2.514 6.150 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -13.093 1.331 3.990 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -12.102 -0.135 4.182 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -13.872 -0.230 4.342 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -16.198 1.487 6.544 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -15.454 0.815 5.074 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -15.452 -0.128 6.583 1.00 0.00 H new ATOM 482 N ASN A 34 -10.431 -1.348 6.807 1.00 0.00 N ATOM 483 CA ASN A 34 -9.289 -2.150 6.400 1.00 0.00 C ATOM 484 C ASN A 34 -9.593 -3.628 6.652 1.00 0.00 C ATOM 485 O ASN A 34 -9.222 -4.486 5.853 1.00 0.00 O ATOM 486 CB ASN A 34 -8.041 -1.780 7.204 1.00 0.00 C ATOM 487 CG ASN A 34 -7.460 -0.446 6.733 1.00 0.00 C ATOM 488 OD1 ASN A 34 -7.035 -0.290 5.600 1.00 0.00 O ATOM 489 ND2 ASN A 34 -7.466 0.506 7.662 1.00 0.00 N ATOM 0 H ASN A 34 -10.223 -0.633 7.504 1.00 0.00 H new ATOM 0 HA ASN A 34 -9.105 -1.962 5.342 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -8.292 -1.718 8.263 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -7.291 -2.564 7.100 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -7.100 1.433 7.445 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -7.837 0.309 8.592 1.00 0.00 H new ATOM 495 N ALA A 35 -10.265 -3.879 7.767 1.00 0.00 N ATOM 496 CA ALA A 35 -10.623 -5.238 8.134 1.00 0.00 C ATOM 497 C ALA A 35 -11.519 -5.837 7.047 1.00 0.00 C ATOM 498 O ALA A 35 -11.342 -6.990 6.658 1.00 0.00 O ATOM 499 CB ALA A 35 -11.296 -5.235 9.507 1.00 0.00 C ATOM 0 H ALA A 35 -10.570 -3.164 8.427 1.00 0.00 H new ATOM 0 HA ALA A 35 -9.733 -5.862 8.208 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -11.565 -6.255 9.783 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -10.608 -4.828 10.248 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -12.195 -4.620 9.470 1.00 0.00 H new ATOM 505 N MET A 36 -12.460 -5.025 6.587 1.00 0.00 N ATOM 506 CA MET A 36 -13.383 -5.460 5.553 1.00 0.00 C ATOM 507 C MET A 36 -12.687 -5.533 4.192 1.00 0.00 C ATOM 508 O MET A 36 -12.906 -6.472 3.429 1.00 0.00 O ATOM 509 CB MET A 36 -14.557 -4.483 5.474 1.00 0.00 C ATOM 510 CG MET A 36 -15.143 -4.216 6.861 1.00 0.00 C ATOM 511 SD MET A 36 -15.853 -2.579 6.921 1.00 0.00 S ATOM 512 CE MET A 36 -17.585 -2.987 6.775 1.00 0.00 C ATOM 0 H MET A 36 -12.603 -4.069 6.912 1.00 0.00 H new ATOM 0 HA MET A 36 -13.744 -6.456 5.809 1.00 0.00 H new ATOM 0 HB2 MET A 36 -14.225 -3.545 5.029 1.00 0.00 H new ATOM 0 HB3 MET A 36 -15.329 -4.889 4.821 1.00 0.00 H new ATOM 0 HG2 MET A 36 -15.905 -4.960 7.092 1.00 0.00 H new ATOM 0 HG3 MET A 36 -14.365 -4.311 7.618 1.00 0.00 H new ATOM 0 HE1 MET A 36 -17.885 -2.933 5.728 1.00 0.00 H new ATOM 0 HE2 MET A 36 -17.754 -3.997 7.149 1.00 0.00 H new ATOM 0 HE3 MET A 36 -18.176 -2.281 7.358 1.00 0.00 H new ATOM 520 N LEU A 37 -11.861 -4.531 3.931 1.00 0.00 N ATOM 521 CA LEU A 37 -11.132 -4.469 2.675 1.00 0.00 C ATOM 522 C LEU A 37 -10.225 -5.696 2.558 1.00 0.00 C ATOM 523 O LEU A 37 -10.001 -6.204 1.460 1.00 0.00 O ATOM 524 CB LEU A 37 -10.387 -3.139 2.553 1.00 0.00 C ATOM 525 CG LEU A 37 -11.256 -1.904 2.307 1.00 0.00 C ATOM 526 CD1 LEU A 37 -10.537 -0.630 2.757 1.00 0.00 C ATOM 527 CD2 LEU A 37 -11.695 -1.827 0.843 1.00 0.00 C ATOM 0 H LEU A 37 -11.680 -3.755 4.568 1.00 0.00 H new ATOM 0 HA LEU A 37 -11.821 -4.499 1.831 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -9.815 -2.980 3.467 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -9.668 -3.221 1.738 1.00 0.00 H new ATOM 0 HG LEU A 37 -12.159 -1.995 2.911 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -11.176 0.233 2.571 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.315 -0.695 3.822 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -9.607 -0.520 2.198 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -12.311 -0.940 0.694 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -10.815 -1.769 0.202 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -12.271 -2.717 0.589 1.00 0.00 H new ATOM 538 N GLN A 38 -9.727 -6.136 3.703 1.00 0.00 N ATOM 539 CA GLN A 38 -8.849 -7.293 3.743 1.00 0.00 C ATOM 540 C GLN A 38 -9.634 -8.565 3.416 1.00 0.00 C ATOM 541 O GLN A 38 -9.175 -9.398 2.634 1.00 0.00 O ATOM 542 CB GLN A 38 -8.157 -7.411 5.102 1.00 0.00 C ATOM 543 CG GLN A 38 -6.642 -7.542 4.937 1.00 0.00 C ATOM 544 CD GLN A 38 -6.032 -8.345 6.087 1.00 0.00 C ATOM 545 OE1 GLN A 38 -6.323 -8.129 7.252 1.00 0.00 O ATOM 546 NE2 GLN A 38 -5.172 -9.282 5.696 1.00 0.00 N ATOM 0 H GLN A 38 -9.915 -5.712 4.611 1.00 0.00 H new ATOM 0 HA GLN A 38 -8.074 -7.162 2.988 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -8.386 -6.534 5.708 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.544 -8.278 5.637 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -6.417 -8.030 3.989 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -6.190 -6.551 4.901 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.974 -9.410 4.704 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.711 -9.872 6.389 1.00 0.00 H new ATOM 553 N GLN A 39 -10.802 -8.677 4.030 1.00 0.00 N ATOM 554 CA GLN A 39 -11.654 -9.834 3.814 1.00 0.00 C ATOM 555 C GLN A 39 -12.061 -9.925 2.342 1.00 0.00 C ATOM 556 O GLN A 39 -11.986 -10.995 1.738 1.00 0.00 O ATOM 557 CB GLN A 39 -12.884 -9.786 4.721 1.00 0.00 C ATOM 558 CG GLN A 39 -13.143 -11.148 5.368 1.00 0.00 C ATOM 559 CD GLN A 39 -14.068 -11.014 6.579 1.00 0.00 C ATOM 560 OE1 GLN A 39 -14.598 -9.956 6.873 1.00 0.00 O ATOM 561 NE2 GLN A 39 -14.233 -12.143 7.262 1.00 0.00 N ATOM 0 H GLN A 39 -11.179 -7.985 4.678 1.00 0.00 H new ATOM 0 HA GLN A 39 -11.089 -10.730 4.071 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -12.739 -9.033 5.496 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -13.756 -9.483 4.141 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -13.590 -11.822 4.638 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -12.197 -11.594 5.676 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -13.759 -12.995 6.961 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -14.833 -12.157 8.087 1.00 0.00 H new ATOM 568 N LEU A 40 -12.484 -8.790 1.806 1.00 0.00 N ATOM 569 CA LEU A 40 -12.903 -8.728 0.417 1.00 0.00 C ATOM 570 C LEU A 40 -11.741 -9.157 -0.481 1.00 0.00 C ATOM 571 O LEU A 40 -11.932 -9.921 -1.427 1.00 0.00 O ATOM 572 CB LEU A 40 -13.457 -7.341 0.085 1.00 0.00 C ATOM 573 CG LEU A 40 -14.574 -6.829 0.998 1.00 0.00 C ATOM 574 CD1 LEU A 40 -14.531 -5.304 1.113 1.00 0.00 C ATOM 575 CD2 LEU A 40 -15.940 -7.331 0.527 1.00 0.00 C ATOM 0 H LEU A 40 -12.546 -7.905 2.310 1.00 0.00 H new ATOM 0 HA LEU A 40 -13.722 -9.424 0.235 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -12.634 -6.626 0.114 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -13.830 -7.356 -0.939 1.00 0.00 H new ATOM 0 HG LEU A 40 -14.411 -7.232 1.998 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -15.335 -4.966 1.767 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -13.571 -4.997 1.529 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -14.656 -4.861 0.125 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -16.716 -6.953 1.193 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -16.128 -6.977 -0.487 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -15.951 -8.421 0.539 1.00 0.00 H new ATOM 586 N GLU A 41 -10.564 -8.647 -0.154 1.00 0.00 N ATOM 587 CA GLU A 41 -9.370 -8.968 -0.919 1.00 0.00 C ATOM 588 C GLU A 41 -9.145 -10.481 -0.943 1.00 0.00 C ATOM 589 O GLU A 41 -8.973 -11.071 -2.008 1.00 0.00 O ATOM 590 CB GLU A 41 -8.147 -8.240 -0.359 1.00 0.00 C ATOM 591 CG GLU A 41 -6.899 -8.545 -1.190 1.00 0.00 C ATOM 592 CD GLU A 41 -5.740 -8.987 -0.296 1.00 0.00 C ATOM 593 OE1 GLU A 41 -5.424 -8.307 0.692 1.00 0.00 O ATOM 594 OE2 GLU A 41 -5.157 -10.080 -0.657 1.00 0.00 O ATOM 0 H GLU A 41 -10.410 -8.013 0.630 1.00 0.00 H new ATOM 0 HA GLU A 41 -9.517 -8.626 -1.944 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -8.330 -7.166 -0.353 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.982 -8.541 0.675 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -7.123 -9.328 -1.915 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.609 -7.660 -1.756 1.00 0.00 H new ATOM 600 N SER A 42 -9.154 -11.067 0.246 1.00 0.00 N ATOM 601 CA SER A 42 -8.952 -12.500 0.376 1.00 0.00 C ATOM 602 C SER A 42 -9.950 -13.251 -0.508 1.00 0.00 C ATOM 603 O SER A 42 -9.564 -14.129 -1.278 1.00 0.00 O ATOM 604 CB SER A 42 -9.093 -12.946 1.833 1.00 0.00 C ATOM 605 OG SER A 42 -8.326 -14.114 2.110 1.00 0.00 O ATOM 0 H SER A 42 -9.298 -10.575 1.128 1.00 0.00 H new ATOM 0 HA SER A 42 -7.939 -12.734 0.049 1.00 0.00 H new ATOM 0 HB2 SER A 42 -8.774 -12.138 2.492 1.00 0.00 H new ATOM 0 HB3 SER A 42 -10.143 -13.141 2.053 1.00 0.00 H new ATOM 0 HG SER A 42 -8.441 -14.366 3.050 1.00 0.00 H new ATOM 610 N MET A 43 -11.213 -12.876 -0.368 1.00 0.00 N ATOM 611 CA MET A 43 -12.270 -13.504 -1.145 1.00 0.00 C ATOM 612 C MET A 43 -12.068 -13.260 -2.642 1.00 0.00 C ATOM 613 O MET A 43 -12.058 -14.203 -3.432 1.00 0.00 O ATOM 614 CB MET A 43 -13.625 -12.939 -0.714 1.00 0.00 C ATOM 615 CG MET A 43 -14.054 -13.517 0.636 1.00 0.00 C ATOM 616 SD MET A 43 -15.812 -13.830 0.635 1.00 0.00 S ATOM 617 CE MET A 43 -16.099 -13.999 2.388 1.00 0.00 C ATOM 0 H MET A 43 -11.529 -12.146 0.271 1.00 0.00 H new ATOM 0 HA MET A 43 -12.240 -14.578 -0.963 1.00 0.00 H new ATOM 0 HB2 MET A 43 -13.566 -11.853 -0.646 1.00 0.00 H new ATOM 0 HB3 MET A 43 -14.377 -13.171 -1.469 1.00 0.00 H new ATOM 0 HG2 MET A 43 -13.512 -14.442 0.834 1.00 0.00 H new ATOM 0 HG3 MET A 43 -13.801 -12.821 1.436 1.00 0.00 H new ATOM 0 HE1 MET A 43 -17.156 -14.199 2.566 1.00 0.00 H new ATOM 0 HE2 MET A 43 -15.503 -14.825 2.776 1.00 0.00 H new ATOM 0 HE3 MET A 43 -15.814 -13.076 2.894 1.00 0.00 H new ATOM 625 N GLY A 44 -11.913 -11.991 -2.987 1.00 0.00 N ATOM 626 CA GLY A 44 -11.712 -11.611 -4.375 1.00 0.00 C ATOM 627 C GLY A 44 -12.854 -10.723 -4.871 1.00 0.00 C ATOM 628 O GLY A 44 -13.371 -10.926 -5.968 1.00 0.00 O ATOM 0 H GLY A 44 -11.923 -11.212 -2.329 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -10.764 -11.082 -4.477 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -11.646 -12.505 -4.995 1.00 0.00 H new ATOM 632 N LYS A 45 -13.215 -9.756 -4.039 1.00 0.00 N ATOM 633 CA LYS A 45 -14.285 -8.836 -4.380 1.00 0.00 C ATOM 634 C LYS A 45 -13.683 -7.518 -4.871 1.00 0.00 C ATOM 635 O LYS A 45 -13.832 -7.161 -6.038 1.00 0.00 O ATOM 636 CB LYS A 45 -15.246 -8.672 -3.200 1.00 0.00 C ATOM 637 CG LYS A 45 -15.335 -9.962 -2.381 1.00 0.00 C ATOM 638 CD LYS A 45 -16.012 -11.074 -3.184 1.00 0.00 C ATOM 639 CE LYS A 45 -16.748 -12.047 -2.260 1.00 0.00 C ATOM 640 NZ LYS A 45 -18.134 -11.585 -2.020 1.00 0.00 N ATOM 0 H LYS A 45 -12.784 -9.591 -3.129 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.885 -9.236 -5.197 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.908 -7.855 -2.562 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -16.236 -8.401 -3.568 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -14.335 -10.279 -2.085 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -15.895 -9.777 -1.464 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -16.715 -10.638 -3.894 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -15.265 -11.614 -3.766 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -16.762 -13.042 -2.706 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -16.217 -12.130 -1.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -18.620 -12.256 -1.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -18.115 -10.645 -1.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -18.643 -11.529 -2.925 1.00 0.00 H new ATOM 649 N ALA A 46 -13.017 -6.831 -3.955 1.00 0.00 N ATOM 650 CA ALA A 46 -12.392 -5.561 -4.280 1.00 0.00 C ATOM 651 C ALA A 46 -10.961 -5.809 -4.760 1.00 0.00 C ATOM 652 O ALA A 46 -10.485 -6.944 -4.746 1.00 0.00 O ATOM 653 CB ALA A 46 -12.447 -4.637 -3.062 1.00 0.00 C ATOM 0 H ALA A 46 -12.897 -7.130 -2.987 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.929 -5.066 -5.089 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -11.978 -3.684 -3.307 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -13.486 -4.468 -2.780 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -11.916 -5.100 -2.230 1.00 0.00 H new ATOM 659 N VAL A 47 -10.313 -4.730 -5.173 1.00 0.00 N ATOM 660 CA VAL A 47 -8.945 -4.817 -5.657 1.00 0.00 C ATOM 661 C VAL A 47 -8.121 -3.679 -5.049 1.00 0.00 C ATOM 662 O VAL A 47 -8.670 -2.647 -4.665 1.00 0.00 O ATOM 663 CB VAL A 47 -8.930 -4.817 -7.186 1.00 0.00 C ATOM 664 CG1 VAL A 47 -9.543 -6.104 -7.741 1.00 0.00 C ATOM 665 CG2 VAL A 47 -9.646 -3.584 -7.742 1.00 0.00 C ATOM 0 H VAL A 47 -10.710 -3.790 -5.183 1.00 0.00 H new ATOM 0 HA VAL A 47 -8.486 -5.754 -5.342 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.890 -4.775 -7.510 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.520 -6.078 -8.830 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -8.971 -6.962 -7.386 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -10.575 -6.191 -7.402 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -9.621 -3.609 -8.831 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -10.682 -3.581 -7.403 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -9.146 -2.682 -7.388 1.00 0.00 H new ATOM 675 N ARG A 48 -6.817 -3.905 -4.983 1.00 0.00 N ATOM 676 CA ARG A 48 -5.913 -2.912 -4.431 1.00 0.00 C ATOM 677 C ARG A 48 -5.452 -1.947 -5.524 1.00 0.00 C ATOM 678 O ARG A 48 -5.078 -2.373 -6.617 1.00 0.00 O ATOM 679 CB ARG A 48 -4.689 -3.575 -3.795 1.00 0.00 C ATOM 680 CG ARG A 48 -3.905 -2.574 -2.943 1.00 0.00 C ATOM 681 CD ARG A 48 -4.035 -2.903 -1.453 1.00 0.00 C ATOM 682 NE ARG A 48 -2.706 -3.226 -0.889 1.00 0.00 N ATOM 683 CZ ARG A 48 -2.153 -4.457 -0.912 1.00 0.00 C ATOM 684 NH1 ARG A 48 -2.811 -5.493 -1.472 1.00 0.00 N ATOM 685 NH2 ARG A 48 -0.958 -4.632 -0.377 1.00 0.00 N ATOM 0 H ARG A 48 -6.365 -4.762 -5.303 1.00 0.00 H new ATOM 0 HA ARG A 48 -6.455 -2.362 -3.662 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -5.006 -4.415 -3.177 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -4.043 -3.979 -4.575 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -2.854 -2.589 -3.232 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -4.273 -1.565 -3.130 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -4.469 -2.056 -0.922 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -4.712 -3.746 -1.316 1.00 0.00 H new ATOM 0 HE ARG A 48 -2.174 -2.471 -0.456 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -3.734 -5.349 -1.882 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -2.386 -6.420 -1.485 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -0.468 -3.843 0.045 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -0.526 -5.556 -0.386 1.00 0.00 H new ATOM 695 N ILE A 49 -5.492 -0.665 -5.193 1.00 0.00 N ATOM 696 CA ILE A 49 -5.083 0.365 -6.134 1.00 0.00 C ATOM 697 C ILE A 49 -3.778 1.001 -5.651 1.00 0.00 C ATOM 698 O ILE A 49 -3.511 1.045 -4.452 1.00 0.00 O ATOM 699 CB ILE A 49 -6.214 1.372 -6.352 1.00 0.00 C ATOM 700 CG1 ILE A 49 -7.404 0.717 -7.057 1.00 0.00 C ATOM 701 CG2 ILE A 49 -5.712 2.607 -7.103 1.00 0.00 C ATOM 702 CD1 ILE A 49 -6.958 0.005 -8.336 1.00 0.00 C ATOM 0 H ILE A 49 -5.801 -0.315 -4.286 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.883 -0.071 -7.113 1.00 0.00 H new ATOM 0 HB ILE A 49 -6.564 1.709 -5.376 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -7.881 0.003 -6.386 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -8.150 1.474 -7.299 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.536 3.307 -7.245 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -4.923 3.088 -6.525 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.319 2.307 -8.075 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -7.822 -0.452 -8.818 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -6.503 0.727 -9.015 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.230 -0.768 -8.088 1.00 0.00 H new ATOM 713 N GLN A 50 -2.999 1.478 -6.611 1.00 0.00 N ATOM 714 CA GLN A 50 -1.728 2.110 -6.300 1.00 0.00 C ATOM 715 C GLN A 50 -1.765 3.592 -6.678 1.00 0.00 C ATOM 716 O GLN A 50 -2.500 3.987 -7.582 1.00 0.00 O ATOM 717 CB GLN A 50 -0.573 1.393 -7.002 1.00 0.00 C ATOM 718 CG GLN A 50 0.732 2.178 -6.849 1.00 0.00 C ATOM 719 CD GLN A 50 1.945 1.276 -7.093 1.00 0.00 C ATOM 720 OE1 GLN A 50 2.209 0.337 -6.360 1.00 0.00 O ATOM 721 NE2 GLN A 50 2.663 1.614 -8.159 1.00 0.00 N ATOM 0 H GLN A 50 -3.224 1.439 -7.605 1.00 0.00 H new ATOM 0 HA GLN A 50 -1.560 2.034 -5.226 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -0.452 0.394 -6.583 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -0.806 1.269 -8.060 1.00 0.00 H new ATOM 0 HG2 GLN A 50 0.745 3.010 -7.553 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.788 2.606 -5.848 1.00 0.00 H new ATOM 0 HE21 GLN A 50 2.384 2.413 -8.729 1.00 0.00 H new ATOM 0 HE22 GLN A 50 3.493 1.075 -8.407 1.00 0.00 H new ATOM 728 N GLU A 51 -0.964 4.372 -5.967 1.00 0.00 N ATOM 729 CA GLU A 51 -0.895 5.801 -6.217 1.00 0.00 C ATOM 730 C GLU A 51 0.418 6.156 -6.918 1.00 0.00 C ATOM 731 O GLU A 51 1.309 5.316 -7.035 1.00 0.00 O ATOM 732 CB GLU A 51 -1.054 6.592 -4.918 1.00 0.00 C ATOM 733 CG GLU A 51 -2.501 7.052 -4.728 1.00 0.00 C ATOM 734 CD GLU A 51 -2.557 8.445 -4.098 1.00 0.00 C ATOM 735 OE1 GLU A 51 -2.132 9.427 -4.726 1.00 0.00 O ATOM 736 OE2 GLU A 51 -3.065 8.489 -2.914 1.00 0.00 O ATOM 0 H GLU A 51 -0.357 4.041 -5.217 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.720 6.075 -6.875 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.751 5.974 -4.073 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.392 7.458 -4.932 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -3.012 7.064 -5.691 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.032 6.341 -4.095 1.00 0.00 H new ATOM 742 N GLU A 52 0.495 7.400 -7.366 1.00 0.00 N ATOM 743 CA GLU A 52 1.684 7.876 -8.053 1.00 0.00 C ATOM 744 C GLU A 52 2.942 7.405 -7.321 1.00 0.00 C ATOM 745 O GLU A 52 3.190 7.805 -6.185 1.00 0.00 O ATOM 746 CB GLU A 52 1.665 9.399 -8.189 1.00 0.00 C ATOM 747 CG GLU A 52 0.992 9.824 -9.495 1.00 0.00 C ATOM 748 CD GLU A 52 1.915 10.722 -10.322 1.00 0.00 C ATOM 749 OE1 GLU A 52 2.624 10.229 -11.212 1.00 0.00 O ATOM 750 OE2 GLU A 52 1.881 11.974 -10.012 1.00 0.00 O ATOM 0 H GLU A 52 -0.247 8.093 -7.267 1.00 0.00 H new ATOM 0 HA GLU A 52 1.694 7.456 -9.059 1.00 0.00 H new ATOM 0 HB2 GLU A 52 1.135 9.837 -7.343 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.685 9.783 -8.159 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.724 8.940 -10.074 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.065 10.354 -9.275 1.00 0.00 H new ATOM 756 N PRO A 53 3.725 6.541 -8.022 1.00 0.00 N ATOM 757 CA PRO A 53 4.953 6.012 -7.451 1.00 0.00 C ATOM 758 C PRO A 53 6.058 7.069 -7.454 1.00 0.00 C ATOM 759 O PRO A 53 5.783 8.259 -7.591 1.00 0.00 O ATOM 760 CB PRO A 53 5.289 4.797 -8.299 1.00 0.00 C ATOM 761 CG PRO A 53 4.504 4.960 -9.591 1.00 0.00 C ATOM 762 CD PRO A 53 3.463 6.044 -9.370 1.00 0.00 C ATOM 0 HA PRO A 53 4.844 5.731 -6.403 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.360 4.743 -8.497 1.00 0.00 H new ATOM 0 HB3 PRO A 53 5.012 3.875 -7.788 1.00 0.00 H new ATOM 0 HG2 PRO A 53 5.170 5.231 -10.410 1.00 0.00 H new ATOM 0 HG3 PRO A 53 4.025 4.021 -9.867 1.00 0.00 H new ATOM 0 HD2 PRO A 53 3.556 6.839 -10.110 1.00 0.00 H new ATOM 0 HD3 PRO A 53 2.452 5.645 -9.456 1.00 0.00 H new ATOM 767 N ASP A 54 7.286 6.595 -7.300 1.00 0.00 N ATOM 768 CA ASP A 54 8.435 7.484 -7.284 1.00 0.00 C ATOM 769 C ASP A 54 9.214 7.328 -8.591 1.00 0.00 C ATOM 770 O ASP A 54 9.057 6.333 -9.297 1.00 0.00 O ATOM 771 CB ASP A 54 9.378 7.144 -6.128 1.00 0.00 C ATOM 772 CG ASP A 54 8.747 7.216 -4.735 1.00 0.00 C ATOM 773 OD1 ASP A 54 8.024 6.302 -4.314 1.00 0.00 O ATOM 774 OD2 ASP A 54 9.029 8.282 -4.065 1.00 0.00 O ATOM 0 H ASP A 54 7.510 5.607 -7.185 1.00 0.00 H new ATOM 0 HA ASP A 54 8.070 8.504 -7.164 1.00 0.00 H new ATOM 0 HB2 ASP A 54 9.769 6.138 -6.282 1.00 0.00 H new ATOM 0 HB3 ASP A 54 10.229 7.825 -6.161 1.00 0.00 H new ATOM 779 N GLY A 55 10.037 8.327 -8.875 1.00 0.00 N ATOM 780 CA GLY A 55 10.841 8.314 -10.085 1.00 0.00 C ATOM 781 C GLY A 55 11.933 9.385 -10.030 1.00 0.00 C ATOM 782 O GLY A 55 11.635 10.578 -9.990 1.00 0.00 O ATOM 0 H GLY A 55 10.164 9.151 -8.287 1.00 0.00 H new ATOM 0 HA2 GLY A 55 11.296 7.332 -10.213 1.00 0.00 H new ATOM 0 HA3 GLY A 55 10.203 8.485 -10.952 1.00 0.00 H new ATOM 786 N CYS A 56 13.173 8.920 -10.030 1.00 0.00 N ATOM 787 CA CYS A 56 14.311 9.823 -9.981 1.00 0.00 C ATOM 788 C CYS A 56 15.446 9.211 -10.802 1.00 0.00 C ATOM 789 O CYS A 56 15.546 7.990 -10.916 1.00 0.00 O ATOM 790 CB CYS A 56 14.740 10.114 -8.541 1.00 0.00 C ATOM 791 SG CYS A 56 14.079 11.735 -8.007 1.00 0.00 S ATOM 0 H CYS A 56 13.415 7.930 -10.063 1.00 0.00 H new ATOM 0 HA CYS A 56 14.033 10.786 -10.410 1.00 0.00 H new ATOM 0 HB2 CYS A 56 14.377 9.328 -7.879 1.00 0.00 H new ATOM 0 HB3 CYS A 56 15.828 10.114 -8.470 1.00 0.00 H new ATOM 0 HG CYS A 56 12.911 11.926 -8.546 1.00 0.00 H new ATOM 796 N LEU A 57 16.274 10.086 -11.354 1.00 0.00 N ATOM 797 CA LEU A 57 17.399 9.646 -12.161 1.00 0.00 C ATOM 798 C LEU A 57 18.385 8.878 -11.279 1.00 0.00 C ATOM 799 O LEU A 57 18.826 9.384 -10.248 1.00 0.00 O ATOM 800 CB LEU A 57 18.027 10.833 -12.897 1.00 0.00 C ATOM 801 CG LEU A 57 17.307 11.290 -14.167 1.00 0.00 C ATOM 802 CD1 LEU A 57 17.239 10.161 -15.195 1.00 0.00 C ATOM 803 CD2 LEU A 57 15.923 11.853 -13.840 1.00 0.00 C ATOM 0 H LEU A 57 16.188 11.098 -11.258 1.00 0.00 H new ATOM 0 HA LEU A 57 17.065 8.959 -12.938 1.00 0.00 H new ATOM 0 HB2 LEU A 57 18.078 11.676 -12.208 1.00 0.00 H new ATOM 0 HB3 LEU A 57 19.053 10.572 -13.158 1.00 0.00 H new ATOM 0 HG LEU A 57 17.885 12.098 -14.615 1.00 0.00 H new ATOM 0 HD11 LEU A 57 16.722 10.513 -16.088 1.00 0.00 H new ATOM 0 HD12 LEU A 57 18.249 9.849 -15.460 1.00 0.00 H new ATOM 0 HD13 LEU A 57 16.697 9.315 -14.771 1.00 0.00 H new ATOM 0 HD21 LEU A 57 15.433 12.171 -14.760 1.00 0.00 H new ATOM 0 HD22 LEU A 57 15.322 11.083 -13.356 1.00 0.00 H new ATOM 0 HD23 LEU A 57 16.026 12.707 -13.171 1.00 0.00 H new ATOM 814 N SER A 58 18.703 7.668 -11.716 1.00 0.00 N ATOM 815 CA SER A 58 19.629 6.825 -10.979 1.00 0.00 C ATOM 816 C SER A 58 21.071 7.188 -11.344 1.00 0.00 C ATOM 817 O SER A 58 21.304 7.976 -12.258 1.00 0.00 O ATOM 818 CB SER A 58 19.367 5.344 -11.259 1.00 0.00 C ATOM 819 OG SER A 58 18.911 4.655 -10.098 1.00 0.00 O ATOM 0 H SER A 58 18.336 7.251 -12.571 1.00 0.00 H new ATOM 0 HA SER A 58 19.476 6.998 -9.914 1.00 0.00 H new ATOM 0 HB2 SER A 58 18.624 5.250 -12.051 1.00 0.00 H new ATOM 0 HB3 SER A 58 20.282 4.876 -11.623 1.00 0.00 H new ATOM 0 HG SER A 58 18.753 3.713 -10.317 1.00 0.00 H new ATOM 824 N GLY A 59 22.000 6.596 -10.608 1.00 0.00 N ATOM 825 CA GLY A 59 23.412 6.846 -10.843 1.00 0.00 C ATOM 826 C GLY A 59 24.271 6.197 -9.756 1.00 0.00 C ATOM 827 O GLY A 59 23.827 6.038 -8.620 1.00 0.00 O ATOM 0 H GLY A 59 21.803 5.944 -9.849 1.00 0.00 H new ATOM 0 HA2 GLY A 59 23.697 6.454 -11.819 1.00 0.00 H new ATOM 0 HA3 GLY A 59 23.596 7.920 -10.865 1.00 0.00 H new ATOM 831 N SER A 60 25.487 5.840 -10.143 1.00 0.00 N ATOM 832 CA SER A 60 26.414 5.212 -9.216 1.00 0.00 C ATOM 833 C SER A 60 25.672 4.197 -8.343 1.00 0.00 C ATOM 834 O SER A 60 25.329 4.491 -7.199 1.00 0.00 O ATOM 835 CB SER A 60 27.111 6.256 -8.342 1.00 0.00 C ATOM 836 OG SER A 60 27.899 7.157 -9.114 1.00 0.00 O ATOM 0 H SER A 60 25.852 5.974 -11.086 1.00 0.00 H new ATOM 0 HA SER A 60 27.179 4.694 -9.794 1.00 0.00 H new ATOM 0 HB2 SER A 60 26.363 6.817 -7.781 1.00 0.00 H new ATOM 0 HB3 SER A 60 27.746 5.753 -7.612 1.00 0.00 H new ATOM 0 HG SER A 60 28.326 7.809 -8.520 1.00 0.00 H new ATOM 841 N CYS A 61 25.447 3.024 -8.915 1.00 0.00 N ATOM 842 CA CYS A 61 24.753 1.964 -8.203 1.00 0.00 C ATOM 843 C CYS A 61 25.102 0.631 -8.868 1.00 0.00 C ATOM 844 O CYS A 61 25.386 0.584 -10.064 1.00 0.00 O ATOM 845 CB CYS A 61 23.243 2.204 -8.164 1.00 0.00 C ATOM 846 SG CYS A 61 22.589 1.804 -6.502 1.00 0.00 S ATOM 0 H CYS A 61 25.733 2.784 -9.864 1.00 0.00 H new ATOM 0 HA CYS A 61 25.079 1.947 -7.163 1.00 0.00 H new ATOM 0 HB2 CYS A 61 23.025 3.243 -8.409 1.00 0.00 H new ATOM 0 HB3 CYS A 61 22.749 1.589 -8.916 1.00 0.00 H new ATOM 0 HG CYS A 61 21.306 2.013 -6.479 1.00 0.00 H new ATOM 851 N LYS A 62 25.068 -0.421 -8.064 1.00 0.00 N ATOM 852 CA LYS A 62 25.376 -1.753 -8.559 1.00 0.00 C ATOM 853 C LYS A 62 24.111 -2.610 -8.525 1.00 0.00 C ATOM 854 O LYS A 62 23.610 -3.025 -9.569 1.00 0.00 O ATOM 855 CB LYS A 62 26.549 -2.354 -7.780 1.00 0.00 C ATOM 856 CG LYS A 62 27.299 -3.383 -8.630 1.00 0.00 C ATOM 857 CD LYS A 62 26.965 -4.808 -8.187 1.00 0.00 C ATOM 858 CE LYS A 62 26.367 -5.615 -9.341 1.00 0.00 C ATOM 859 NZ LYS A 62 26.862 -7.010 -9.310 1.00 0.00 N ATOM 0 H LYS A 62 24.832 -0.379 -7.073 1.00 0.00 H new ATOM 0 HA LYS A 62 25.702 -1.709 -9.598 1.00 0.00 H new ATOM 0 HB2 LYS A 62 27.232 -1.561 -7.474 1.00 0.00 H new ATOM 0 HB3 LYS A 62 26.182 -2.827 -6.869 1.00 0.00 H new ATOM 0 HG2 LYS A 62 27.036 -3.254 -9.680 1.00 0.00 H new ATOM 0 HG3 LYS A 62 28.373 -3.215 -8.547 1.00 0.00 H new ATOM 0 HD2 LYS A 62 27.867 -5.300 -7.823 1.00 0.00 H new ATOM 0 HD3 LYS A 62 26.261 -4.779 -7.356 1.00 0.00 H new ATOM 0 HE2 LYS A 62 25.279 -5.607 -9.272 1.00 0.00 H new ATOM 0 HE3 LYS A 62 26.630 -5.151 -10.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 26.446 -7.544 -10.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 27.898 -7.013 -9.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 26.590 -7.455 -8.410 1.00 0.00 H new ATOM 868 N SER A 63 23.628 -2.850 -7.314 1.00 0.00 N ATOM 869 CA SER A 63 22.430 -3.652 -7.131 1.00 0.00 C ATOM 870 C SER A 63 22.102 -3.769 -5.642 1.00 0.00 C ATOM 871 O SER A 63 22.703 -4.573 -4.931 1.00 0.00 O ATOM 872 CB SER A 63 22.597 -5.041 -7.749 1.00 0.00 C ATOM 873 OG SER A 63 21.418 -5.830 -7.616 1.00 0.00 O ATOM 0 H SER A 63 24.045 -2.503 -6.450 1.00 0.00 H new ATOM 0 HA SER A 63 21.604 -3.155 -7.640 1.00 0.00 H new ATOM 0 HB2 SER A 63 22.848 -4.940 -8.805 1.00 0.00 H new ATOM 0 HB3 SER A 63 23.432 -5.553 -7.270 1.00 0.00 H new ATOM 0 HG SER A 63 21.565 -6.709 -8.024 1.00 0.00 H new ATOM 878 N CYS A 64 21.148 -2.955 -5.213 1.00 0.00 N ATOM 879 CA CYS A 64 20.733 -2.957 -3.820 1.00 0.00 C ATOM 880 C CYS A 64 19.241 -3.293 -3.764 1.00 0.00 C ATOM 881 O CYS A 64 18.486 -2.936 -4.668 1.00 0.00 O ATOM 882 CB CYS A 64 21.043 -1.624 -3.135 1.00 0.00 C ATOM 883 SG CYS A 64 19.852 -0.347 -3.681 1.00 0.00 S ATOM 0 H CYS A 64 20.651 -2.290 -5.805 1.00 0.00 H new ATOM 0 HA CYS A 64 21.296 -3.712 -3.272 1.00 0.00 H new ATOM 0 HB2 CYS A 64 20.992 -1.742 -2.053 1.00 0.00 H new ATOM 0 HB3 CYS A 64 22.059 -1.311 -3.374 1.00 0.00 H new ATOM 0 HG CYS A 64 18.863 -0.915 -4.306 1.00 0.00 H new ATOM 888 N PRO A 65 18.851 -3.995 -2.667 1.00 0.00 N ATOM 889 CA PRO A 65 17.463 -4.383 -2.482 1.00 0.00 C ATOM 890 C PRO A 65 16.610 -3.185 -2.063 1.00 0.00 C ATOM 891 O PRO A 65 17.019 -2.037 -2.231 1.00 0.00 O ATOM 892 CB PRO A 65 17.499 -5.482 -1.433 1.00 0.00 C ATOM 893 CG PRO A 65 18.842 -5.349 -0.734 1.00 0.00 C ATOM 894 CD PRO A 65 19.717 -4.435 -1.577 1.00 0.00 C ATOM 0 HA PRO A 65 17.000 -4.742 -3.401 1.00 0.00 H new ATOM 0 HB2 PRO A 65 16.678 -5.373 -0.725 1.00 0.00 H new ATOM 0 HB3 PRO A 65 17.394 -6.464 -1.893 1.00 0.00 H new ATOM 0 HG2 PRO A 65 18.712 -4.937 0.267 1.00 0.00 H new ATOM 0 HG3 PRO A 65 19.311 -6.326 -0.618 1.00 0.00 H new ATOM 0 HD2 PRO A 65 20.082 -3.589 -0.995 1.00 0.00 H new ATOM 0 HD3 PRO A 65 20.592 -4.963 -1.955 1.00 0.00 H new ATOM 899 N GLU A 66 15.439 -3.492 -1.524 1.00 0.00 N ATOM 900 CA GLU A 66 14.524 -2.454 -1.079 1.00 0.00 C ATOM 901 C GLU A 66 14.225 -2.614 0.413 1.00 0.00 C ATOM 902 O GLU A 66 15.068 -3.092 1.171 1.00 0.00 O ATOM 903 CB GLU A 66 13.233 -2.472 -1.902 1.00 0.00 C ATOM 904 CG GLU A 66 12.379 -3.692 -1.555 1.00 0.00 C ATOM 905 CD GLU A 66 12.402 -4.718 -2.690 1.00 0.00 C ATOM 906 OE1 GLU A 66 12.270 -4.346 -3.865 1.00 0.00 O ATOM 907 OE2 GLU A 66 12.565 -5.941 -2.315 1.00 0.00 O ATOM 0 H GLU A 66 15.103 -4.445 -1.385 1.00 0.00 H new ATOM 0 HA GLU A 66 15.001 -1.486 -1.232 1.00 0.00 H new ATOM 0 HB2 GLU A 66 12.665 -1.561 -1.714 1.00 0.00 H new ATOM 0 HB3 GLU A 66 13.475 -2.483 -2.965 1.00 0.00 H new ATOM 0 HG2 GLU A 66 12.749 -4.150 -0.638 1.00 0.00 H new ATOM 0 HG3 GLU A 66 11.353 -3.379 -1.363 1.00 0.00 H new ATOM 913 N GLY A 67 13.022 -2.205 0.790 1.00 0.00 N ATOM 914 CA GLY A 67 12.602 -2.297 2.178 1.00 0.00 C ATOM 915 C GLY A 67 12.196 -0.925 2.719 1.00 0.00 C ATOM 916 O GLY A 67 12.781 -0.437 3.686 1.00 0.00 O ATOM 0 H GLY A 67 12.325 -1.809 0.159 1.00 0.00 H new ATOM 0 HA2 GLY A 67 11.764 -2.988 2.263 1.00 0.00 H new ATOM 0 HA3 GLY A 67 13.413 -2.704 2.781 1.00 0.00 H new ATOM 920 N LYS A 68 11.198 -0.340 2.074 1.00 0.00 N ATOM 921 CA LYS A 68 10.708 0.966 2.479 1.00 0.00 C ATOM 922 C LYS A 68 9.179 0.941 2.521 1.00 0.00 C ATOM 923 O LYS A 68 8.561 -0.068 2.185 1.00 0.00 O ATOM 924 CB LYS A 68 11.280 2.058 1.572 1.00 0.00 C ATOM 925 CG LYS A 68 10.625 2.021 0.190 1.00 0.00 C ATOM 926 CD LYS A 68 11.573 2.567 -0.881 1.00 0.00 C ATOM 927 CE LYS A 68 11.781 4.073 -0.714 1.00 0.00 C ATOM 928 NZ LYS A 68 12.087 4.702 -2.018 1.00 0.00 N ATOM 0 H LYS A 68 10.715 -0.747 1.273 1.00 0.00 H new ATOM 0 HA LYS A 68 11.052 1.207 3.485 1.00 0.00 H new ATOM 0 HB2 LYS A 68 11.120 3.035 2.028 1.00 0.00 H new ATOM 0 HB3 LYS A 68 12.357 1.925 1.472 1.00 0.00 H new ATOM 0 HG2 LYS A 68 10.344 0.997 -0.056 1.00 0.00 H new ATOM 0 HG3 LYS A 68 9.707 2.609 0.203 1.00 0.00 H new ATOM 0 HD2 LYS A 68 12.533 2.055 -0.817 1.00 0.00 H new ATOM 0 HD3 LYS A 68 11.166 2.360 -1.871 1.00 0.00 H new ATOM 0 HE2 LYS A 68 10.885 4.525 -0.287 1.00 0.00 H new ATOM 0 HE3 LYS A 68 12.596 4.258 -0.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 12.225 5.724 -1.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 12.954 4.283 -2.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 11.297 4.541 -2.675 1.00 0.00 H new ATOM 937 N ALA A 69 8.611 2.064 2.939 1.00 0.00 N ATOM 938 CA ALA A 69 7.166 2.184 3.030 1.00 0.00 C ATOM 939 C ALA A 69 6.573 2.232 1.620 1.00 0.00 C ATOM 940 O ALA A 69 7.121 2.884 0.734 1.00 0.00 O ATOM 941 CB ALA A 69 6.808 3.420 3.857 1.00 0.00 C ATOM 0 H ALA A 69 9.126 2.899 3.218 1.00 0.00 H new ATOM 0 HA ALA A 69 6.739 1.319 3.537 1.00 0.00 H new ATOM 0 HB1 ALA A 69 5.724 3.510 3.926 1.00 0.00 H new ATOM 0 HB2 ALA A 69 7.228 3.322 4.858 1.00 0.00 H new ATOM 0 HB3 ALA A 69 7.217 4.309 3.378 1.00 0.00 H new ATOM 947 N CYS A 70 5.460 1.531 1.458 1.00 0.00 N ATOM 948 CA CYS A 70 4.786 1.486 0.172 1.00 0.00 C ATOM 949 C CYS A 70 3.874 2.709 0.064 1.00 0.00 C ATOM 950 O CYS A 70 3.363 3.197 1.070 1.00 0.00 O ATOM 951 CB CYS A 70 4.013 0.178 -0.016 1.00 0.00 C ATOM 952 SG CYS A 70 5.178 -1.229 -0.119 1.00 0.00 S ATOM 0 H CYS A 70 5.009 0.990 2.196 1.00 0.00 H new ATOM 0 HA CYS A 70 5.524 1.514 -0.630 1.00 0.00 H new ATOM 0 HB2 CYS A 70 3.324 0.030 0.816 1.00 0.00 H new ATOM 0 HB3 CYS A 70 3.411 0.229 -0.923 1.00 0.00 H new ATOM 0 HG CYS A 70 4.511 -2.334 -0.276 1.00 0.00 H new ATOM 957 N LEU A 71 3.697 3.167 -1.166 1.00 0.00 N ATOM 958 CA LEU A 71 2.854 4.325 -1.419 1.00 0.00 C ATOM 959 C LEU A 71 1.459 4.070 -0.845 1.00 0.00 C ATOM 960 O LEU A 71 1.088 2.925 -0.592 1.00 0.00 O ATOM 961 CB LEU A 71 2.852 4.671 -2.910 1.00 0.00 C ATOM 962 CG LEU A 71 4.001 5.558 -3.394 1.00 0.00 C ATOM 963 CD1 LEU A 71 3.960 6.928 -2.716 1.00 0.00 C ATOM 964 CD2 LEU A 71 5.350 4.862 -3.199 1.00 0.00 C ATOM 0 H LEU A 71 4.122 2.758 -1.998 1.00 0.00 H new ATOM 0 HA LEU A 71 3.252 5.204 -0.912 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.873 3.741 -3.479 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.911 5.168 -3.146 1.00 0.00 H new ATOM 0 HG LEU A 71 3.876 5.725 -4.464 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.788 7.538 -3.078 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.016 7.421 -2.949 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.047 6.803 -1.637 1.00 0.00 H new ATOM 0 HD21 LEU A 71 6.150 5.514 -3.551 1.00 0.00 H new ATOM 0 HD22 LEU A 71 5.498 4.645 -2.141 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.364 3.931 -3.766 1.00 0.00 H new ATOM 975 N ARG A 72 0.725 5.157 -0.655 1.00 0.00 N ATOM 976 CA ARG A 72 -0.621 5.065 -0.115 1.00 0.00 C ATOM 977 C ARG A 72 -1.519 4.265 -1.061 1.00 0.00 C ATOM 978 O ARG A 72 -2.163 4.833 -1.941 1.00 0.00 O ATOM 979 CB ARG A 72 -1.225 6.456 0.096 1.00 0.00 C ATOM 980 CG ARG A 72 -1.153 6.866 1.568 1.00 0.00 C ATOM 981 CD ARG A 72 -2.552 7.106 2.140 1.00 0.00 C ATOM 982 NE ARG A 72 -2.527 6.967 3.614 1.00 0.00 N ATOM 983 CZ ARG A 72 -3.619 6.723 4.370 1.00 0.00 C ATOM 984 NH1 ARG A 72 -4.833 6.589 3.795 1.00 0.00 N ATOM 985 NH2 ARG A 72 -3.481 6.617 5.678 1.00 0.00 N ATOM 0 H ARG A 72 1.037 6.105 -0.865 1.00 0.00 H new ATOM 0 HA ARG A 72 -0.559 4.558 0.848 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -0.692 7.185 -0.515 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -2.263 6.460 -0.236 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -0.650 6.087 2.142 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -0.555 7.772 1.668 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -2.900 8.102 1.866 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -3.256 6.393 1.711 1.00 0.00 H new ATOM 0 HE ARG A 72 -1.629 7.061 4.088 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -4.930 6.672 2.783 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -5.653 6.405 4.373 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -2.560 6.719 6.104 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -4.296 6.433 6.264 1.00 0.00 H new ATOM 995 N GLU A 73 -1.534 2.957 -0.846 1.00 0.00 N ATOM 996 CA GLU A 73 -2.342 2.074 -1.668 1.00 0.00 C ATOM 997 C GLU A 73 -3.824 2.430 -1.532 1.00 0.00 C ATOM 998 O GLU A 73 -4.321 2.621 -0.424 1.00 0.00 O ATOM 999 CB GLU A 73 -2.095 0.608 -1.303 1.00 0.00 C ATOM 1000 CG GLU A 73 -0.619 0.242 -1.475 1.00 0.00 C ATOM 1001 CD GLU A 73 -0.216 -0.875 -0.511 1.00 0.00 C ATOM 1002 OE1 GLU A 73 0.007 -2.016 -0.943 1.00 0.00 O ATOM 1003 OE2 GLU A 73 -0.139 -0.525 0.728 1.00 0.00 O ATOM 0 H GLU A 73 -0.999 2.489 -0.114 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.050 2.210 -2.709 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -2.400 0.430 -0.272 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -2.709 -0.036 -1.933 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -0.436 -0.075 -2.502 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.001 1.121 -1.298 1.00 0.00 H new ATOM 1009 N TRP A 74 -4.488 2.508 -2.676 1.00 0.00 N ATOM 1010 CA TRP A 74 -5.903 2.837 -2.699 1.00 0.00 C ATOM 1011 C TRP A 74 -6.690 1.532 -2.827 1.00 0.00 C ATOM 1012 O TRP A 74 -6.110 0.472 -3.054 1.00 0.00 O ATOM 1013 CB TRP A 74 -6.215 3.836 -3.816 1.00 0.00 C ATOM 1014 CG TRP A 74 -5.904 5.290 -3.456 1.00 0.00 C ATOM 1015 CD1 TRP A 74 -5.610 5.797 -2.250 1.00 0.00 C ATOM 1016 CD2 TRP A 74 -5.867 6.412 -4.364 1.00 0.00 C ATOM 1017 NE1 TRP A 74 -5.387 7.157 -2.315 1.00 0.00 N ATOM 1018 CE2 TRP A 74 -5.549 7.542 -3.640 1.00 0.00 C ATOM 1019 CE3 TRP A 74 -6.094 6.468 -5.750 1.00 0.00 C ATOM 1020 CZ2 TRP A 74 -5.429 8.813 -4.217 1.00 0.00 C ATOM 1021 CZ3 TRP A 74 -5.971 7.744 -6.312 1.00 0.00 C ATOM 1022 CH2 TRP A 74 -5.651 8.893 -5.597 1.00 0.00 C ATOM 0 H TRP A 74 -4.072 2.349 -3.594 1.00 0.00 H new ATOM 0 HA TRP A 74 -6.199 3.332 -1.774 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -5.645 3.562 -4.704 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -7.270 3.755 -4.077 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -5.555 5.214 -1.342 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -5.147 7.768 -1.534 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -6.344 5.595 -6.335 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -5.179 9.684 -3.629 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -6.136 7.843 -7.375 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -5.574 9.843 -6.104 1.00 0.00 H new ATOM 1032 N TRP A 75 -8.002 1.652 -2.673 1.00 0.00 N ATOM 1033 CA TRP A 75 -8.875 0.494 -2.769 1.00 0.00 C ATOM 1034 C TRP A 75 -9.935 0.788 -3.832 1.00 0.00 C ATOM 1035 O TRP A 75 -10.352 1.934 -3.998 1.00 0.00 O ATOM 1036 CB TRP A 75 -9.476 0.148 -1.406 1.00 0.00 C ATOM 1037 CG TRP A 75 -8.443 -0.278 -0.360 1.00 0.00 C ATOM 1038 CD1 TRP A 75 -7.806 0.492 0.532 1.00 0.00 C ATOM 1039 CD2 TRP A 75 -7.952 -1.616 -0.132 1.00 0.00 C ATOM 1040 NE1 TRP A 75 -6.942 -0.248 1.314 1.00 0.00 N ATOM 1041 CE2 TRP A 75 -7.034 -1.571 0.897 1.00 0.00 C ATOM 1042 CE3 TRP A 75 -8.273 -2.824 -0.775 1.00 0.00 C ATOM 1043 CZ2 TRP A 75 -6.362 -2.702 1.375 1.00 0.00 C ATOM 1044 CZ3 TRP A 75 -7.592 -3.946 -0.286 1.00 0.00 C ATOM 1045 CH2 TRP A 75 -6.665 -3.917 0.750 1.00 0.00 C ATOM 0 H TRP A 75 -8.480 2.533 -2.483 1.00 0.00 H new ATOM 0 HA TRP A 75 -8.313 -0.389 -3.073 1.00 0.00 H new ATOM 0 HB2 TRP A 75 -10.022 1.014 -1.031 1.00 0.00 H new ATOM 0 HB3 TRP A 75 -10.201 -0.656 -1.534 1.00 0.00 H new ATOM 0 HD1 TRP A 75 -7.950 1.558 0.627 1.00 0.00 H new ATOM 0 HE1 TRP A 75 -6.346 0.110 2.060 1.00 0.00 H new ATOM 0 HE3 TRP A 75 -8.988 -2.882 -1.582 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 -5.648 -2.640 2.183 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 -7.802 -4.900 -0.746 1.00 0.00 H new ATOM 0 HH2 TRP A 75 -6.181 -4.828 1.071 1.00 0.00 H new ATOM 1055 N ALA A 76 -10.341 -0.266 -4.525 1.00 0.00 N ATOM 1056 CA ALA A 76 -11.344 -0.135 -5.568 1.00 0.00 C ATOM 1057 C ALA A 76 -12.041 -1.482 -5.770 1.00 0.00 C ATOM 1058 O ALA A 76 -11.666 -2.478 -5.154 1.00 0.00 O ATOM 1059 CB ALA A 76 -10.684 0.378 -6.849 1.00 0.00 C ATOM 0 H ALA A 76 -9.993 -1.215 -4.384 1.00 0.00 H new ATOM 0 HA ALA A 76 -12.105 0.590 -5.281 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -11.436 0.476 -7.632 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -10.228 1.350 -6.659 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -9.916 -0.326 -7.170 1.00 0.00 H new ATOM 1065 N LEU A 77 -13.045 -1.469 -6.635 1.00 0.00 N ATOM 1066 CA LEU A 77 -13.798 -2.676 -6.927 1.00 0.00 C ATOM 1067 C LEU A 77 -13.186 -3.373 -8.144 1.00 0.00 C ATOM 1068 O LEU A 77 -12.524 -2.735 -8.961 1.00 0.00 O ATOM 1069 CB LEU A 77 -15.285 -2.355 -7.085 1.00 0.00 C ATOM 1070 CG LEU A 77 -15.893 -1.448 -6.014 1.00 0.00 C ATOM 1071 CD1 LEU A 77 -17.297 -0.990 -6.416 1.00 0.00 C ATOM 1072 CD2 LEU A 77 -15.883 -2.132 -4.645 1.00 0.00 C ATOM 0 H LEU A 77 -13.354 -0.640 -7.143 1.00 0.00 H new ATOM 0 HA LEU A 77 -13.734 -3.376 -6.094 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -15.434 -1.886 -8.057 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -15.840 -3.293 -7.096 1.00 0.00 H new ATOM 0 HG LEU A 77 -15.274 -0.555 -5.932 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -17.707 -0.346 -5.637 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -17.245 -0.437 -7.354 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -17.941 -1.860 -6.544 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -16.321 -1.465 -3.902 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -16.465 -3.053 -4.694 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -14.857 -2.366 -4.363 1.00 0.00 H new ATOM 1083 N ARG A 78 -13.429 -4.673 -8.226 1.00 0.00 N ATOM 1084 CA ARG A 78 -12.910 -5.462 -9.331 1.00 0.00 C ATOM 1085 C ARG A 78 -13.484 -4.961 -10.657 1.00 0.00 C ATOM 1086 O ARG A 78 -14.698 -4.825 -10.799 1.00 0.00 O ATOM 1087 CB ARG A 78 -13.256 -6.943 -9.159 1.00 0.00 C ATOM 1088 CG ARG A 78 -12.781 -7.760 -10.361 1.00 0.00 C ATOM 1089 CD ARG A 78 -11.262 -7.942 -10.336 1.00 0.00 C ATOM 1090 NE ARG A 78 -10.821 -8.686 -11.536 1.00 0.00 N ATOM 1091 CZ ARG A 78 -10.576 -8.115 -12.734 1.00 0.00 C ATOM 1092 NH1 ARG A 78 -10.727 -6.784 -12.902 1.00 0.00 N ATOM 1093 NH2 ARG A 78 -10.185 -8.878 -13.739 1.00 0.00 N ATOM 0 H ARG A 78 -13.978 -5.199 -7.546 1.00 0.00 H new ATOM 0 HA ARG A 78 -11.826 -5.352 -9.337 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -12.793 -7.325 -8.249 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -14.333 -7.057 -9.040 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -13.268 -8.735 -10.357 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -13.076 -7.260 -11.284 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -10.772 -6.969 -10.301 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -10.967 -8.481 -9.435 1.00 0.00 H new ATOM 0 HE ARG A 78 -10.694 -9.695 -11.453 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -11.028 -6.202 -12.120 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -10.540 -6.360 -13.811 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -10.073 -9.883 -13.603 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -9.996 -8.463 -14.651 1.00 0.00 H new TER 1103 ARG A 78