USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 888 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 7 ASN : amide:sc= -0.0199 X(o=-0.41,f=-0.78) USER MOD Set 1.2: A 56 MET CE :methyl -166:sc= -0.392 (180deg=-0.551) USER MOD Set 2.1: A 2 GLN : amide:sc= -0.165 X(o=-0.18,f=0.21) USER MOD Set 2.2: A 5 HIS : no HD1:sc= -0.0144 X(o=-0.18,f=0.21) USER MOD Single : A 1 GLU N :NH3+ -155:sc= -0.084 (180deg=-0.634) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 CYS SG : rot -100:sc= -0.209 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= -0.0201 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.227) USER MOD Single : A 18 HIS : no HE2:sc=-0.00949 K(o=-0.0095,f=-2.5) USER MOD Single : A 21 TYR OH : rot 180:sc= -0.312 USER MOD Single : A 26 TYR OH : rot 30:sc= -1.44 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= -0.138 K(o=-0.14,f=-1.5) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= -0.17 K(o=-0.17,f=-1.3) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -161:sc= -0.493 (180deg=-1.39!) USER MOD Single : A 55 LYS NZ :NH3+ -121:sc= 0.00637 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -0.0406 X(o=-0.041,f=0) USER MOD Single : A 61 TYR OH : rot 80:sc= -2.89! USER MOD Single : A 65 GLN : amide:sc= -0.0768 X(o=-0.077,f=-0.54) USER MOD Single : A 74 MET CE :methyl -113:sc= -2.22 (180deg=-6.07!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -2.11! C(o=-2.1!,f=-3.3!) USER MOD Single : A 78 CYS SG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= -0.058 USER MOD Single : A 80 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00961) USER MOD Single : A 81 TYR OH : rot -37:sc= -0.0224 USER MOD Single : A 82 ASN : amide:sc= -0.525 K(o=-0.52,f=-4.4!) USER MOD Single : A 86 HIS : no HD1:sc= -0.606 K(o=-0.61,f=-1.4) USER MOD Single : A 91 MET CE :methyl -173:sc= 0 (180deg=-0.0311) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN :FLIP amide:sc= -0.232 F(o=-1,f=-0.23) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 MET CE :methyl -120:sc= -0.442 (180deg=-1.63!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -14.787 14.184 -1.756 1.00 0.00 N ATOM 2 CA GLU A 1 -14.863 12.750 -2.152 1.00 0.00 C ATOM 3 C GLU A 1 -13.821 11.915 -1.409 1.00 0.00 C ATOM 4 O GLU A 1 -12.622 12.197 -1.481 1.00 0.00 O ATOM 5 CB GLU A 1 -14.636 12.640 -3.663 1.00 0.00 C ATOM 6 CG GLU A 1 -15.701 13.332 -4.499 1.00 0.00 C ATOM 7 CD GLU A 1 -15.269 13.522 -5.939 1.00 0.00 C ATOM 8 OE1 GLU A 1 -15.337 12.545 -6.713 1.00 0.00 O ATOM 9 OE2 GLU A 1 -14.857 14.647 -6.291 1.00 0.00 O ATOM 0 H1 GLU A 1 -15.709 14.637 -1.915 1.00 0.00 H new ATOM 0 H2 GLU A 1 -14.536 14.253 -0.749 1.00 0.00 H new ATOM 0 H3 GLU A 1 -14.063 14.664 -2.327 1.00 0.00 H new ATOM 0 HA GLU A 1 -15.848 12.365 -1.890 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -13.663 13.067 -3.906 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -14.599 11.586 -3.939 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -16.619 12.745 -4.472 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -15.930 14.303 -4.060 1.00 0.00 H new ATOM 18 N GLN A 2 -14.283 10.884 -0.699 1.00 0.00 N ATOM 19 CA GLN A 2 -13.384 10.008 0.053 1.00 0.00 C ATOM 20 C GLN A 2 -12.386 9.314 -0.878 1.00 0.00 C ATOM 21 O GLN A 2 -11.215 9.149 -0.528 1.00 0.00 O ATOM 22 CB GLN A 2 -14.182 8.960 0.839 1.00 0.00 C ATOM 23 CG GLN A 2 -14.355 9.297 2.314 1.00 0.00 C ATOM 24 CD GLN A 2 -13.037 9.337 3.071 1.00 0.00 C ATOM 25 OE1 GLN A 2 -12.235 8.406 2.993 1.00 0.00 O ATOM 26 NE2 GLN A 2 -12.805 10.418 3.810 1.00 0.00 N ATOM 0 H GLN A 2 -15.270 10.636 -0.629 1.00 0.00 H new ATOM 0 HA GLN A 2 -12.827 10.628 0.756 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -15.166 8.850 0.383 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -13.681 7.996 0.753 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -14.850 10.264 2.405 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -15.011 8.559 2.776 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -13.496 11.168 3.848 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -11.936 10.497 4.339 1.00 0.00 H new ATOM 35 N LEU A 3 -12.857 8.917 -2.067 1.00 0.00 N ATOM 36 CA LEU A 3 -12.006 8.247 -3.056 1.00 0.00 C ATOM 37 C LEU A 3 -10.804 9.120 -3.422 1.00 0.00 C ATOM 38 O LEU A 3 -9.687 8.618 -3.573 1.00 0.00 O ATOM 39 CB LEU A 3 -12.812 7.910 -4.321 1.00 0.00 C ATOM 40 CG LEU A 3 -12.666 6.473 -4.843 1.00 0.00 C ATOM 41 CD1 LEU A 3 -11.238 6.201 -5.294 1.00 0.00 C ATOM 42 CD2 LEU A 3 -13.093 5.466 -3.784 1.00 0.00 C ATOM 0 H LEU A 3 -13.823 9.049 -2.367 1.00 0.00 H new ATOM 0 HA LEU A 3 -11.641 7.321 -2.612 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -13.866 8.097 -4.118 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -12.513 8.596 -5.113 1.00 0.00 H new ATOM 0 HG LEU A 3 -13.323 6.362 -5.706 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -11.161 5.177 -5.659 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -10.971 6.892 -6.093 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -10.558 6.339 -4.453 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -12.981 4.455 -4.177 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -12.468 5.583 -2.898 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -14.136 5.638 -3.518 1.00 0.00 H new ATOM 54 N LYS A 4 -11.041 10.430 -3.557 1.00 0.00 N ATOM 55 CA LYS A 4 -9.979 11.377 -3.899 1.00 0.00 C ATOM 56 C LYS A 4 -8.873 11.357 -2.845 1.00 0.00 C ATOM 57 O LYS A 4 -7.688 11.366 -3.183 1.00 0.00 O ATOM 58 CB LYS A 4 -10.544 12.798 -4.031 1.00 0.00 C ATOM 59 CG LYS A 4 -9.936 13.602 -5.174 1.00 0.00 C ATOM 60 CD LYS A 4 -8.635 14.279 -4.763 1.00 0.00 C ATOM 61 CE LYS A 4 -8.845 15.750 -4.428 1.00 0.00 C ATOM 62 NZ LYS A 4 -8.533 16.640 -5.584 1.00 0.00 N ATOM 0 H LYS A 4 -11.960 10.856 -3.434 1.00 0.00 H new ATOM 0 HA LYS A 4 -9.556 11.073 -4.857 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -11.623 12.737 -4.176 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -10.378 13.333 -3.096 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -9.750 12.943 -6.022 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -10.649 14.357 -5.506 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -8.215 13.765 -3.898 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -7.908 14.190 -5.570 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -9.879 15.907 -4.119 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -8.215 16.022 -3.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -8.690 17.631 -5.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -7.540 16.511 -5.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -9.152 16.399 -6.384 1.00 0.00 H new ATOM 76 N HIS A 5 -9.268 11.321 -1.568 1.00 0.00 N ATOM 77 CA HIS A 5 -8.307 11.290 -0.465 1.00 0.00 C ATOM 78 C HIS A 5 -7.416 10.053 -0.554 1.00 0.00 C ATOM 79 O HIS A 5 -6.201 10.141 -0.369 1.00 0.00 O ATOM 80 CB HIS A 5 -9.032 11.315 0.886 1.00 0.00 C ATOM 81 CG HIS A 5 -9.755 12.598 1.158 1.00 0.00 C ATOM 82 ND1 HIS A 5 -10.851 12.680 1.992 1.00 0.00 N ATOM 83 CD2 HIS A 5 -9.533 13.855 0.707 1.00 0.00 C ATOM 84 CE1 HIS A 5 -11.271 13.932 2.042 1.00 0.00 C ATOM 85 NE2 HIS A 5 -10.487 14.664 1.272 1.00 0.00 N ATOM 0 H HIS A 5 -10.245 11.313 -1.275 1.00 0.00 H new ATOM 0 HA HIS A 5 -7.680 12.178 -0.544 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -9.746 10.492 0.921 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -8.307 11.142 1.681 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -8.751 14.164 0.029 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -12.112 14.294 2.615 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -10.576 15.669 1.121 1.00 0.00 H new ATOM 94 N CYS A 6 -8.029 8.902 -0.849 1.00 0.00 N ATOM 95 CA CYS A 6 -7.290 7.646 -0.976 1.00 0.00 C ATOM 96 C CYS A 6 -6.228 7.748 -2.072 1.00 0.00 C ATOM 97 O CYS A 6 -5.110 7.252 -1.911 1.00 0.00 O ATOM 98 CB CYS A 6 -8.246 6.486 -1.276 1.00 0.00 C ATOM 99 SG CYS A 6 -7.808 4.939 -0.450 1.00 0.00 S ATOM 0 H CYS A 6 -9.034 8.816 -1.004 1.00 0.00 H new ATOM 0 HA CYS A 6 -6.790 7.452 -0.027 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -9.254 6.773 -0.977 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -8.269 6.317 -2.353 1.00 0.00 H new ATOM 0 HG CYS A 6 -7.189 4.160 -1.287 1.00 0.00 H new ATOM 105 N ASN A 7 -6.583 8.405 -3.180 1.00 0.00 N ATOM 106 CA ASN A 7 -5.660 8.588 -4.300 1.00 0.00 C ATOM 107 C ASN A 7 -4.458 9.440 -3.890 1.00 0.00 C ATOM 108 O ASN A 7 -3.341 9.207 -4.354 1.00 0.00 O ATOM 109 CB ASN A 7 -6.379 9.240 -5.487 1.00 0.00 C ATOM 110 CG ASN A 7 -6.734 8.240 -6.573 1.00 0.00 C ATOM 111 OD1 ASN A 7 -5.902 7.430 -6.983 1.00 0.00 O ATOM 112 ND2 ASN A 7 -7.974 8.292 -7.049 1.00 0.00 N ATOM 0 H ASN A 7 -7.504 8.819 -3.324 1.00 0.00 H new ATOM 0 HA ASN A 7 -5.299 7.604 -4.598 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -7.288 9.726 -5.134 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -5.744 10.019 -5.909 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -8.267 7.645 -7.781 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -8.633 8.979 -6.682 1.00 0.00 H new ATOM 119 N VAL A 8 -4.694 10.427 -3.017 1.00 0.00 N ATOM 120 CA VAL A 8 -3.625 11.310 -2.544 1.00 0.00 C ATOM 121 C VAL A 8 -2.532 10.513 -1.832 1.00 0.00 C ATOM 122 O VAL A 8 -1.342 10.736 -2.066 1.00 0.00 O ATOM 123 CB VAL A 8 -4.158 12.408 -1.591 1.00 0.00 C ATOM 124 CG1 VAL A 8 -3.049 13.387 -1.225 1.00 0.00 C ATOM 125 CG2 VAL A 8 -5.337 13.144 -2.218 1.00 0.00 C ATOM 0 H VAL A 8 -5.613 10.633 -2.626 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.207 11.793 -3.427 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.505 11.925 -0.678 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.444 14.150 -0.555 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.240 12.851 -0.728 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.668 13.860 -2.130 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.695 13.910 -1.530 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.020 13.612 -3.150 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -6.141 12.436 -2.422 1.00 0.00 H new ATOM 135 N ILE A 9 -2.944 9.578 -0.973 1.00 0.00 N ATOM 136 CA ILE A 9 -1.998 8.740 -0.237 1.00 0.00 C ATOM 137 C ILE A 9 -1.182 7.869 -1.196 1.00 0.00 C ATOM 138 O ILE A 9 0.018 7.670 -0.994 1.00 0.00 O ATOM 139 CB ILE A 9 -2.716 7.840 0.796 1.00 0.00 C ATOM 140 CG1 ILE A 9 -3.647 8.679 1.681 1.00 0.00 C ATOM 141 CG2 ILE A 9 -1.699 7.093 1.650 1.00 0.00 C ATOM 142 CD1 ILE A 9 -4.442 7.859 2.675 1.00 0.00 C ATOM 0 H ILE A 9 -3.925 9.383 -0.771 1.00 0.00 H new ATOM 0 HA ILE A 9 -1.327 9.411 0.299 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.318 7.108 0.258 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.053 9.415 2.223 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.338 9.232 1.045 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.221 6.465 2.371 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -1.075 6.469 1.010 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.072 7.810 2.180 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.077 8.519 3.266 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -5.063 7.141 2.140 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -3.759 7.326 3.336 1.00 0.00 H new ATOM 154 N LEU A 10 -1.837 7.365 -2.248 1.00 0.00 N ATOM 155 CA LEU A 10 -1.167 6.531 -3.246 1.00 0.00 C ATOM 156 C LEU A 10 -0.188 7.361 -4.080 1.00 0.00 C ATOM 157 O LEU A 10 0.917 6.906 -4.382 1.00 0.00 O ATOM 158 CB LEU A 10 -2.196 5.857 -4.167 1.00 0.00 C ATOM 159 CG LEU A 10 -1.882 4.406 -4.549 1.00 0.00 C ATOM 160 CD1 LEU A 10 -3.112 3.732 -5.135 1.00 0.00 C ATOM 161 CD2 LEU A 10 -0.722 4.345 -5.534 1.00 0.00 C ATOM 0 H LEU A 10 -2.829 7.521 -2.428 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.608 5.759 -2.717 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.170 5.884 -3.678 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.282 6.445 -5.080 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.591 3.871 -3.645 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.871 2.703 -5.401 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.916 3.738 -4.399 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.432 4.271 -6.026 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.517 3.306 -5.791 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -0.982 4.897 -6.437 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.164 4.788 -5.080 1.00 0.00 H new ATOM 173 N LYS A 11 -0.600 8.582 -4.449 1.00 0.00 N ATOM 174 CA LYS A 11 0.241 9.473 -5.245 1.00 0.00 C ATOM 175 C LYS A 11 1.556 9.783 -4.529 1.00 0.00 C ATOM 176 O LYS A 11 2.609 9.832 -5.160 1.00 0.00 O ATOM 177 CB LYS A 11 -0.506 10.773 -5.562 1.00 0.00 C ATOM 178 CG LYS A 11 -1.464 10.656 -6.740 1.00 0.00 C ATOM 179 CD LYS A 11 -1.358 11.854 -7.673 1.00 0.00 C ATOM 180 CE LYS A 11 -2.342 12.953 -7.294 1.00 0.00 C ATOM 181 NZ LYS A 11 -1.787 13.877 -6.263 1.00 0.00 N ATOM 0 H LYS A 11 -1.511 8.971 -4.207 1.00 0.00 H new ATOM 0 HA LYS A 11 0.476 8.962 -6.179 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.065 11.085 -4.680 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.221 11.557 -5.773 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.249 9.743 -7.295 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.486 10.572 -6.371 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.343 12.249 -7.644 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -1.546 11.535 -8.698 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.608 13.523 -8.184 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.260 12.502 -6.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.491 14.608 -6.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.557 13.340 -5.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -0.925 14.329 -6.630 1.00 0.00 H new ATOM 195 N GLU A 12 1.488 9.983 -3.210 1.00 0.00 N ATOM 196 CA GLU A 12 2.680 10.276 -2.413 1.00 0.00 C ATOM 197 C GLU A 12 3.652 9.095 -2.436 1.00 0.00 C ATOM 198 O GLU A 12 4.867 9.284 -2.522 1.00 0.00 O ATOM 199 CB GLU A 12 2.291 10.606 -0.967 1.00 0.00 C ATOM 200 CG GLU A 12 3.448 11.136 -0.127 1.00 0.00 C ATOM 201 CD GLU A 12 3.444 10.612 1.302 1.00 0.00 C ATOM 202 OE1 GLU A 12 2.371 10.193 1.790 1.00 0.00 O ATOM 203 OE2 GLU A 12 4.521 10.626 1.938 1.00 0.00 O ATOM 0 H GLU A 12 0.621 9.947 -2.673 1.00 0.00 H new ATOM 0 HA GLU A 12 3.175 11.142 -2.852 1.00 0.00 H new ATOM 0 HB2 GLU A 12 1.491 11.346 -0.975 1.00 0.00 H new ATOM 0 HB3 GLU A 12 1.891 9.709 -0.494 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.389 10.863 -0.604 1.00 0.00 H new ATOM 0 HG3 GLU A 12 3.405 12.225 -0.107 1.00 0.00 H new ATOM 210 N LEU A 13 3.105 7.880 -2.360 1.00 0.00 N ATOM 211 CA LEU A 13 3.917 6.662 -2.372 1.00 0.00 C ATOM 212 C LEU A 13 4.602 6.458 -3.727 1.00 0.00 C ATOM 213 O LEU A 13 5.706 5.916 -3.791 1.00 0.00 O ATOM 214 CB LEU A 13 3.054 5.441 -2.034 1.00 0.00 C ATOM 215 CG LEU A 13 2.853 5.181 -0.537 1.00 0.00 C ATOM 216 CD1 LEU A 13 1.459 4.631 -0.271 1.00 0.00 C ATOM 217 CD2 LEU A 13 3.914 4.222 -0.016 1.00 0.00 C ATOM 0 H LEU A 13 2.101 7.714 -2.289 1.00 0.00 H new ATOM 0 HA LEU A 13 4.692 6.775 -1.614 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.076 5.566 -2.500 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.510 4.558 -2.482 1.00 0.00 H new ATOM 0 HG LEU A 13 2.954 6.128 -0.007 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.336 4.453 0.797 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.713 5.351 -0.607 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.328 3.694 -0.812 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.756 4.048 1.048 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.844 3.276 -0.552 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.903 4.654 -0.171 1.00 0.00 H new ATOM 229 N LEU A 14 3.940 6.890 -4.806 1.00 0.00 N ATOM 230 CA LEU A 14 4.486 6.749 -6.158 1.00 0.00 C ATOM 231 C LEU A 14 5.342 7.956 -6.555 1.00 0.00 C ATOM 232 O LEU A 14 6.290 7.816 -7.328 1.00 0.00 O ATOM 233 CB LEU A 14 3.353 6.567 -7.175 1.00 0.00 C ATOM 234 CG LEU A 14 3.524 5.387 -8.136 1.00 0.00 C ATOM 235 CD1 LEU A 14 2.793 4.160 -7.612 1.00 0.00 C ATOM 236 CD2 LEU A 14 3.026 5.753 -9.528 1.00 0.00 C ATOM 0 H LEU A 14 3.025 7.340 -4.768 1.00 0.00 H new ATOM 0 HA LEU A 14 5.124 5.865 -6.159 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.416 6.441 -6.633 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.261 7.482 -7.761 1.00 0.00 H new ATOM 0 HG LEU A 14 4.586 5.151 -8.203 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.926 3.332 -8.308 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.197 3.884 -6.638 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.731 4.384 -7.513 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.156 4.902 -10.196 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.970 6.018 -9.479 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.595 6.602 -9.907 1.00 0.00 H new ATOM 248 N SER A 15 4.992 9.140 -6.039 1.00 0.00 N ATOM 249 CA SER A 15 5.718 10.372 -6.355 1.00 0.00 C ATOM 250 C SER A 15 7.165 10.314 -5.852 1.00 0.00 C ATOM 251 O SER A 15 8.068 9.936 -6.600 1.00 0.00 O ATOM 252 CB SER A 15 4.979 11.585 -5.765 1.00 0.00 C ATOM 253 OG SER A 15 5.784 12.754 -5.799 1.00 0.00 O ATOM 0 H SER A 15 4.208 9.269 -5.399 1.00 0.00 H new ATOM 0 HA SER A 15 5.756 10.478 -7.439 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.060 11.759 -6.324 1.00 0.00 H new ATOM 0 HB3 SER A 15 4.690 11.371 -4.736 1.00 0.00 H new ATOM 0 HG SER A 15 5.284 13.506 -5.419 1.00 0.00 H new ATOM 259 N LYS A 16 7.382 10.691 -4.590 1.00 0.00 N ATOM 260 CA LYS A 16 8.722 10.680 -4.001 1.00 0.00 C ATOM 261 C LYS A 16 8.647 10.485 -2.487 1.00 0.00 C ATOM 262 O LYS A 16 7.556 10.469 -1.912 1.00 0.00 O ATOM 263 CB LYS A 16 9.465 11.986 -4.321 1.00 0.00 C ATOM 264 CG LYS A 16 9.372 12.411 -5.780 1.00 0.00 C ATOM 265 CD LYS A 16 10.148 13.693 -6.046 1.00 0.00 C ATOM 266 CE LYS A 16 9.526 14.886 -5.333 1.00 0.00 C ATOM 267 NZ LYS A 16 9.702 16.152 -6.100 1.00 0.00 N ATOM 0 H LYS A 16 6.647 11.007 -3.957 1.00 0.00 H new ATOM 0 HA LYS A 16 9.272 9.845 -4.435 1.00 0.00 H new ATOM 0 HB2 LYS A 16 9.064 12.783 -3.695 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.515 11.869 -4.054 1.00 0.00 H new ATOM 0 HG2 LYS A 16 9.758 11.614 -6.416 1.00 0.00 H new ATOM 0 HG3 LYS A 16 8.326 12.557 -6.050 1.00 0.00 H new ATOM 0 HD2 LYS A 16 11.179 13.569 -5.716 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.177 13.885 -7.119 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.463 14.701 -5.178 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.978 14.994 -4.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.264 16.938 -5.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 10.716 16.343 -6.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.249 16.059 -7.031 1.00 0.00 H new ATOM 281 N LYS A 17 9.817 10.323 -1.856 1.00 0.00 N ATOM 282 CA LYS A 17 9.932 10.115 -0.411 1.00 0.00 C ATOM 283 C LYS A 17 9.751 8.646 -0.056 1.00 0.00 C ATOM 284 O LYS A 17 10.431 8.121 0.826 1.00 0.00 O ATOM 285 CB LYS A 17 8.927 10.971 0.361 1.00 0.00 C ATOM 286 CG LYS A 17 9.587 11.904 1.353 1.00 0.00 C ATOM 287 CD LYS A 17 8.560 12.696 2.147 1.00 0.00 C ATOM 288 CE LYS A 17 8.057 13.901 1.364 1.00 0.00 C ATOM 289 NZ LYS A 17 6.749 13.634 0.699 1.00 0.00 N ATOM 0 H LYS A 17 10.715 10.333 -2.339 1.00 0.00 H new ATOM 0 HA LYS A 17 10.936 10.424 -0.119 1.00 0.00 H new ATOM 0 HB2 LYS A 17 8.339 11.557 -0.345 1.00 0.00 H new ATOM 0 HB3 LYS A 17 8.233 10.318 0.890 1.00 0.00 H new ATOM 0 HG2 LYS A 17 10.210 11.327 2.037 1.00 0.00 H new ATOM 0 HG3 LYS A 17 10.247 12.591 0.823 1.00 0.00 H new ATOM 0 HD2 LYS A 17 7.720 12.050 2.403 1.00 0.00 H new ATOM 0 HD3 LYS A 17 9.003 13.030 3.085 1.00 0.00 H new ATOM 0 HE2 LYS A 17 7.954 14.752 2.037 1.00 0.00 H new ATOM 0 HE3 LYS A 17 8.796 14.177 0.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 6.702 14.159 -0.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 6.658 12.616 0.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 5.974 13.941 1.321 1.00 0.00 H new ATOM 303 N HIS A 18 8.836 7.989 -0.756 1.00 0.00 N ATOM 304 CA HIS A 18 8.558 6.573 -0.533 1.00 0.00 C ATOM 305 C HIS A 18 8.724 5.768 -1.825 1.00 0.00 C ATOM 306 O HIS A 18 8.113 4.710 -1.988 1.00 0.00 O ATOM 307 CB HIS A 18 7.142 6.387 0.026 1.00 0.00 C ATOM 308 CG HIS A 18 6.879 7.161 1.283 1.00 0.00 C ATOM 309 ND1 HIS A 18 7.869 7.514 2.177 1.00 0.00 N ATOM 310 CD2 HIS A 18 5.726 7.655 1.791 1.00 0.00 C ATOM 311 CE1 HIS A 18 7.335 8.189 3.179 1.00 0.00 C ATOM 312 NE2 HIS A 18 6.035 8.291 2.969 1.00 0.00 N ATOM 0 H HIS A 18 8.269 8.416 -1.489 1.00 0.00 H new ATOM 0 HA HIS A 18 9.278 6.201 0.196 1.00 0.00 H new ATOM 0 HB2 HIS A 18 6.420 6.689 -0.733 1.00 0.00 H new ATOM 0 HB3 HIS A 18 6.975 5.328 0.221 1.00 0.00 H new ATOM 0 HD1 HIS A 18 8.859 7.289 2.079 1.00 0.00 H new ATOM 0 HD2 HIS A 18 4.744 7.566 1.351 1.00 0.00 H new ATOM 0 HE1 HIS A 18 7.871 8.590 4.027 1.00 0.00 H new ATOM 321 N ALA A 19 9.563 6.271 -2.738 1.00 0.00 N ATOM 322 CA ALA A 19 9.814 5.591 -4.008 1.00 0.00 C ATOM 323 C ALA A 19 10.716 4.376 -3.814 1.00 0.00 C ATOM 324 O ALA A 19 10.538 3.358 -4.481 1.00 0.00 O ATOM 325 CB ALA A 19 10.433 6.547 -5.019 1.00 0.00 C ATOM 0 H ALA A 19 10.077 7.144 -2.619 1.00 0.00 H new ATOM 0 HA ALA A 19 8.854 5.247 -4.393 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.611 6.020 -5.956 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.753 7.381 -5.195 1.00 0.00 H new ATOM 0 HB3 ALA A 19 11.378 6.926 -4.630 1.00 0.00 H new ATOM 331 N ALA A 20 11.680 4.486 -2.892 1.00 0.00 N ATOM 332 CA ALA A 20 12.605 3.387 -2.609 1.00 0.00 C ATOM 333 C ALA A 20 11.855 2.119 -2.201 1.00 0.00 C ATOM 334 O ALA A 20 12.335 1.010 -2.428 1.00 0.00 O ATOM 335 CB ALA A 20 13.596 3.788 -1.525 1.00 0.00 C ATOM 0 H ALA A 20 11.838 5.323 -2.332 1.00 0.00 H new ATOM 0 HA ALA A 20 13.155 3.172 -3.525 1.00 0.00 H new ATOM 0 HB1 ALA A 20 14.275 2.959 -1.328 1.00 0.00 H new ATOM 0 HB2 ALA A 20 14.168 4.654 -1.857 1.00 0.00 H new ATOM 0 HB3 ALA A 20 13.055 4.039 -0.612 1.00 0.00 H new ATOM 341 N TYR A 21 10.672 2.294 -1.608 1.00 0.00 N ATOM 342 CA TYR A 21 9.848 1.166 -1.183 1.00 0.00 C ATOM 343 C TYR A 21 8.729 0.893 -2.196 1.00 0.00 C ATOM 344 O TYR A 21 8.065 -0.142 -2.131 1.00 0.00 O ATOM 345 CB TYR A 21 9.243 1.419 0.206 1.00 0.00 C ATOM 346 CG TYR A 21 10.037 2.382 1.064 1.00 0.00 C ATOM 347 CD1 TYR A 21 11.103 1.940 1.835 1.00 0.00 C ATOM 348 CD2 TYR A 21 9.716 3.733 1.101 1.00 0.00 C ATOM 349 CE1 TYR A 21 11.828 2.815 2.620 1.00 0.00 C ATOM 350 CE2 TYR A 21 10.437 4.615 1.882 1.00 0.00 C ATOM 351 CZ TYR A 21 11.492 4.151 2.640 1.00 0.00 C ATOM 352 OH TYR A 21 12.213 5.026 3.421 1.00 0.00 O ATOM 0 H TYR A 21 10.265 3.208 -1.412 1.00 0.00 H new ATOM 0 HA TYR A 21 10.493 0.289 -1.129 1.00 0.00 H new ATOM 0 HB2 TYR A 21 8.232 1.808 0.084 1.00 0.00 H new ATOM 0 HB3 TYR A 21 9.158 0.468 0.731 1.00 0.00 H new ATOM 0 HD1 TYR A 21 11.370 0.894 1.821 1.00 0.00 H new ATOM 0 HD2 TYR A 21 8.890 4.099 0.510 1.00 0.00 H new ATOM 0 HE1 TYR A 21 12.654 2.454 3.215 1.00 0.00 H new ATOM 0 HE2 TYR A 21 10.176 5.663 1.899 1.00 0.00 H new ATOM 0 HH TYR A 21 11.848 5.930 3.321 1.00 0.00 H new ATOM 362 N ALA A 22 8.526 1.828 -3.131 1.00 0.00 N ATOM 363 CA ALA A 22 7.492 1.693 -4.152 1.00 0.00 C ATOM 364 C ALA A 22 7.904 0.723 -5.257 1.00 0.00 C ATOM 365 O ALA A 22 7.112 -0.130 -5.650 1.00 0.00 O ATOM 366 CB ALA A 22 7.152 3.051 -4.751 1.00 0.00 C ATOM 0 H ALA A 22 9.069 2.689 -3.198 1.00 0.00 H new ATOM 0 HA ALA A 22 6.608 1.284 -3.663 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.379 2.931 -5.510 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.789 3.714 -3.966 1.00 0.00 H new ATOM 0 HB3 ALA A 22 8.044 3.482 -5.206 1.00 0.00 H new ATOM 372 N TRP A 23 9.136 0.863 -5.767 1.00 0.00 N ATOM 373 CA TRP A 23 9.620 -0.008 -6.843 1.00 0.00 C ATOM 374 C TRP A 23 9.776 -1.473 -6.402 1.00 0.00 C ATOM 375 O TRP A 23 9.474 -2.375 -7.185 1.00 0.00 O ATOM 376 CB TRP A 23 10.936 0.516 -7.442 1.00 0.00 C ATOM 377 CG TRP A 23 12.108 0.458 -6.511 1.00 0.00 C ATOM 378 CD1 TRP A 23 12.550 1.454 -5.692 1.00 0.00 C ATOM 379 CD2 TRP A 23 12.993 -0.652 -6.310 1.00 0.00 C ATOM 380 NE1 TRP A 23 13.645 1.030 -4.984 1.00 0.00 N ATOM 381 CE2 TRP A 23 13.941 -0.257 -5.348 1.00 0.00 C ATOM 382 CE3 TRP A 23 13.074 -1.942 -6.847 1.00 0.00 C ATOM 383 CZ2 TRP A 23 14.957 -1.104 -4.912 1.00 0.00 C ATOM 384 CZ3 TRP A 23 14.084 -2.780 -6.414 1.00 0.00 C ATOM 385 CH2 TRP A 23 15.013 -2.359 -5.455 1.00 0.00 C ATOM 0 H TRP A 23 9.808 1.564 -5.455 1.00 0.00 H new ATOM 0 HA TRP A 23 8.852 0.014 -7.616 1.00 0.00 H new ATOM 0 HB2 TRP A 23 11.169 -0.062 -8.336 1.00 0.00 H new ATOM 0 HB3 TRP A 23 10.791 1.549 -7.759 1.00 0.00 H new ATOM 0 HD1 TRP A 23 12.103 2.434 -5.612 1.00 0.00 H new ATOM 0 HE1 TRP A 23 14.157 1.584 -4.297 1.00 0.00 H new ATOM 0 HE3 TRP A 23 12.361 -2.276 -7.586 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 15.675 -0.782 -4.172 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 14.158 -3.777 -6.823 1.00 0.00 H new ATOM 0 HH2 TRP A 23 15.790 -3.039 -5.137 1.00 0.00 H new ATOM 396 N PRO A 24 10.237 -1.758 -5.154 1.00 0.00 N ATOM 397 CA PRO A 24 10.398 -3.144 -4.685 1.00 0.00 C ATOM 398 C PRO A 24 9.062 -3.870 -4.553 1.00 0.00 C ATOM 399 O PRO A 24 8.967 -5.066 -4.838 1.00 0.00 O ATOM 400 CB PRO A 24 11.069 -2.997 -3.316 1.00 0.00 C ATOM 401 CG PRO A 24 10.715 -1.625 -2.864 1.00 0.00 C ATOM 402 CD PRO A 24 10.627 -0.787 -4.109 1.00 0.00 C ATOM 0 HA PRO A 24 10.979 -3.741 -5.388 1.00 0.00 H new ATOM 0 HB2 PRO A 24 10.707 -3.750 -2.616 1.00 0.00 H new ATOM 0 HB3 PRO A 24 12.149 -3.123 -3.389 1.00 0.00 H new ATOM 0 HG2 PRO A 24 9.767 -1.624 -2.326 1.00 0.00 H new ATOM 0 HG3 PRO A 24 11.469 -1.232 -2.182 1.00 0.00 H new ATOM 0 HD2 PRO A 24 9.889 0.009 -4.006 1.00 0.00 H new ATOM 0 HD3 PRO A 24 11.580 -0.310 -4.340 1.00 0.00 H new ATOM 410 N PHE A 25 8.030 -3.138 -4.129 1.00 0.00 N ATOM 411 CA PHE A 25 6.695 -3.711 -3.971 1.00 0.00 C ATOM 412 C PHE A 25 5.816 -3.438 -5.202 1.00 0.00 C ATOM 413 O PHE A 25 4.654 -3.847 -5.238 1.00 0.00 O ATOM 414 CB PHE A 25 6.022 -3.158 -2.707 1.00 0.00 C ATOM 415 CG PHE A 25 6.819 -3.372 -1.446 1.00 0.00 C ATOM 416 CD1 PHE A 25 7.398 -4.602 -1.171 1.00 0.00 C ATOM 417 CD2 PHE A 25 6.986 -2.341 -0.534 1.00 0.00 C ATOM 418 CE1 PHE A 25 8.128 -4.798 -0.014 1.00 0.00 C ATOM 419 CE2 PHE A 25 7.715 -2.531 0.624 1.00 0.00 C ATOM 420 CZ PHE A 25 8.286 -3.761 0.885 1.00 0.00 C ATOM 0 H PHE A 25 8.094 -2.149 -3.890 1.00 0.00 H new ATOM 0 HA PHE A 25 6.807 -4.791 -3.872 1.00 0.00 H new ATOM 0 HB2 PHE A 25 5.848 -2.090 -2.838 1.00 0.00 H new ATOM 0 HB3 PHE A 25 5.046 -3.628 -2.592 1.00 0.00 H new ATOM 0 HD1 PHE A 25 7.277 -5.417 -1.870 1.00 0.00 H new ATOM 0 HD2 PHE A 25 6.541 -1.377 -0.731 1.00 0.00 H new ATOM 0 HE1 PHE A 25 8.574 -5.761 0.187 1.00 0.00 H new ATOM 0 HE2 PHE A 25 7.838 -1.718 1.325 1.00 0.00 H new ATOM 0 HZ PHE A 25 8.855 -3.912 1.790 1.00 0.00 H new ATOM 430 N TYR A 26 6.373 -2.749 -6.208 1.00 0.00 N ATOM 431 CA TYR A 26 5.637 -2.428 -7.432 1.00 0.00 C ATOM 432 C TYR A 26 5.412 -3.676 -8.283 1.00 0.00 C ATOM 433 O TYR A 26 4.271 -4.079 -8.516 1.00 0.00 O ATOM 434 CB TYR A 26 6.399 -1.379 -8.248 1.00 0.00 C ATOM 435 CG TYR A 26 5.520 -0.300 -8.838 1.00 0.00 C ATOM 436 CD1 TYR A 26 4.552 -0.606 -9.786 1.00 0.00 C ATOM 437 CD2 TYR A 26 5.664 1.026 -8.450 1.00 0.00 C ATOM 438 CE1 TYR A 26 3.751 0.379 -10.330 1.00 0.00 C ATOM 439 CE2 TYR A 26 4.868 2.017 -8.990 1.00 0.00 C ATOM 440 CZ TYR A 26 3.913 1.689 -9.929 1.00 0.00 C ATOM 441 OH TYR A 26 3.119 2.673 -10.472 1.00 0.00 O ATOM 0 H TYR A 26 7.333 -2.404 -6.195 1.00 0.00 H new ATOM 0 HA TYR A 26 4.665 -2.027 -7.143 1.00 0.00 H new ATOM 0 HB2 TYR A 26 7.150 -0.913 -7.610 1.00 0.00 H new ATOM 0 HB3 TYR A 26 6.933 -1.880 -9.055 1.00 0.00 H new ATOM 0 HD1 TYR A 26 4.424 -1.630 -10.103 1.00 0.00 H new ATOM 0 HD2 TYR A 26 6.410 1.286 -7.714 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.002 0.125 -11.065 1.00 0.00 H new ATOM 0 HE2 TYR A 26 4.993 3.044 -8.678 1.00 0.00 H new ATOM 0 HH TYR A 26 2.248 2.294 -10.714 1.00 0.00 H new ATOM 451 N LYS A 27 6.509 -4.280 -8.748 1.00 0.00 N ATOM 452 CA LYS A 27 6.433 -5.481 -9.579 1.00 0.00 C ATOM 453 C LYS A 27 5.796 -6.640 -8.811 1.00 0.00 C ATOM 454 O LYS A 27 6.023 -6.795 -7.611 1.00 0.00 O ATOM 455 CB LYS A 27 7.829 -5.887 -10.066 1.00 0.00 C ATOM 456 CG LYS A 27 8.259 -5.185 -11.348 1.00 0.00 C ATOM 457 CD LYS A 27 8.258 -6.138 -12.536 1.00 0.00 C ATOM 458 CE LYS A 27 9.511 -7.005 -12.565 1.00 0.00 C ATOM 459 NZ LYS A 27 9.223 -8.395 -13.023 1.00 0.00 N ATOM 0 H LYS A 27 7.458 -3.956 -8.563 1.00 0.00 H new ATOM 0 HA LYS A 27 5.808 -5.250 -10.441 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.555 -5.670 -9.282 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.848 -6.965 -10.228 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.587 -4.351 -11.550 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.257 -4.766 -11.217 1.00 0.00 H new ATOM 0 HD2 LYS A 27 7.375 -6.776 -12.490 1.00 0.00 H new ATOM 0 HD3 LYS A 27 8.190 -5.566 -13.461 1.00 0.00 H new ATOM 0 HE2 LYS A 27 10.249 -6.552 -13.227 1.00 0.00 H new ATOM 0 HE3 LYS A 27 9.952 -7.036 -11.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 10.103 -8.949 -13.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.538 -8.838 -12.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.826 -8.369 -13.984 1.00 0.00 H new ATOM 473 N PRO A 28 4.991 -7.472 -9.500 1.00 0.00 N ATOM 474 CA PRO A 28 4.324 -8.623 -8.880 1.00 0.00 C ATOM 475 C PRO A 28 5.292 -9.775 -8.606 1.00 0.00 C ATOM 476 O PRO A 28 6.505 -9.631 -8.776 1.00 0.00 O ATOM 477 CB PRO A 28 3.287 -9.027 -9.930 1.00 0.00 C ATOM 478 CG PRO A 28 3.889 -8.612 -11.226 1.00 0.00 C ATOM 479 CD PRO A 28 4.673 -7.359 -10.938 1.00 0.00 C ATOM 0 HA PRO A 28 3.896 -8.379 -7.908 1.00 0.00 H new ATOM 0 HB2 PRO A 28 3.095 -10.100 -9.907 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.333 -8.529 -9.758 1.00 0.00 H new ATOM 0 HG2 PRO A 28 4.536 -9.394 -11.624 1.00 0.00 H new ATOM 0 HG3 PRO A 28 3.117 -8.426 -11.973 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.576 -7.303 -11.545 1.00 0.00 H new ATOM 0 HD3 PRO A 28 4.090 -6.463 -11.151 1.00 0.00 H new ATOM 487 N VAL A 29 4.749 -10.917 -8.184 1.00 0.00 N ATOM 488 CA VAL A 29 5.565 -12.092 -7.891 1.00 0.00 C ATOM 489 C VAL A 29 5.274 -13.217 -8.884 1.00 0.00 C ATOM 490 O VAL A 29 4.406 -14.061 -8.649 1.00 0.00 O ATOM 491 CB VAL A 29 5.330 -12.601 -6.452 1.00 0.00 C ATOM 492 CG1 VAL A 29 6.344 -13.679 -6.092 1.00 0.00 C ATOM 493 CG2 VAL A 29 5.388 -11.450 -5.456 1.00 0.00 C ATOM 0 H VAL A 29 3.749 -11.052 -8.038 1.00 0.00 H new ATOM 0 HA VAL A 29 6.608 -11.790 -7.985 1.00 0.00 H new ATOM 0 HB VAL A 29 4.334 -13.040 -6.404 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.162 -14.025 -5.074 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.246 -14.516 -6.783 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.351 -13.268 -6.161 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.220 -11.832 -4.449 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.368 -10.975 -5.505 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.618 -10.718 -5.700 1.00 0.00 H new ATOM 503 N ASP A 30 6.009 -13.218 -9.996 1.00 0.00 N ATOM 504 CA ASP A 30 5.839 -14.234 -11.034 1.00 0.00 C ATOM 505 C ASP A 30 6.666 -15.477 -10.719 1.00 0.00 C ATOM 506 O ASP A 30 7.730 -15.694 -11.301 1.00 0.00 O ATOM 507 CB ASP A 30 6.234 -13.670 -12.403 1.00 0.00 C ATOM 508 CG ASP A 30 5.358 -12.506 -12.830 1.00 0.00 C ATOM 509 OD1 ASP A 30 4.118 -12.634 -12.748 1.00 0.00 O ATOM 510 OD2 ASP A 30 5.912 -11.467 -13.246 1.00 0.00 O ATOM 0 H ASP A 30 6.729 -12.525 -10.201 1.00 0.00 H new ATOM 0 HA ASP A 30 4.787 -14.519 -11.060 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.274 -13.345 -12.371 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.170 -14.461 -13.150 1.00 0.00 H new ATOM 515 N ALA A 31 6.167 -16.289 -9.789 1.00 0.00 N ATOM 516 CA ALA A 31 6.854 -17.515 -9.386 1.00 0.00 C ATOM 517 C ALA A 31 7.043 -18.475 -10.563 1.00 0.00 C ATOM 518 O ALA A 31 7.989 -19.263 -10.575 1.00 0.00 O ATOM 519 CB ALA A 31 6.091 -18.205 -8.265 1.00 0.00 C ATOM 0 H ALA A 31 5.288 -16.120 -9.300 1.00 0.00 H new ATOM 0 HA ALA A 31 7.844 -17.232 -9.027 1.00 0.00 H new ATOM 0 HB1 ALA A 31 6.615 -19.116 -7.976 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.023 -17.537 -7.406 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.088 -18.457 -8.609 1.00 0.00 H new ATOM 525 N SER A 32 6.144 -18.407 -11.548 1.00 0.00 N ATOM 526 CA SER A 32 6.225 -19.275 -12.722 1.00 0.00 C ATOM 527 C SER A 32 7.480 -18.971 -13.540 1.00 0.00 C ATOM 528 O SER A 32 8.237 -19.879 -13.886 1.00 0.00 O ATOM 529 CB SER A 32 4.977 -19.116 -13.597 1.00 0.00 C ATOM 530 OG SER A 32 4.879 -20.167 -14.544 1.00 0.00 O ATOM 0 H SER A 32 5.354 -17.761 -11.555 1.00 0.00 H new ATOM 0 HA SER A 32 6.281 -20.306 -12.373 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.087 -19.105 -12.968 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.012 -18.158 -14.115 1.00 0.00 H new ATOM 0 HG SER A 32 4.074 -20.043 -15.088 1.00 0.00 H new ATOM 536 N ALA A 33 7.692 -17.688 -13.844 1.00 0.00 N ATOM 537 CA ALA A 33 8.854 -17.261 -14.621 1.00 0.00 C ATOM 538 C ALA A 33 10.104 -17.153 -13.747 1.00 0.00 C ATOM 539 O ALA A 33 11.160 -17.679 -14.100 1.00 0.00 O ATOM 540 CB ALA A 33 8.572 -15.931 -15.311 1.00 0.00 C ATOM 0 H ALA A 33 7.073 -16.928 -13.563 1.00 0.00 H new ATOM 0 HA ALA A 33 9.044 -18.020 -15.380 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.447 -15.626 -15.886 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.719 -16.042 -15.980 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.348 -15.172 -14.561 1.00 0.00 H new ATOM 546 N LEU A 34 9.974 -16.467 -12.609 1.00 0.00 N ATOM 547 CA LEU A 34 11.092 -16.284 -11.683 1.00 0.00 C ATOM 548 C LEU A 34 11.506 -17.611 -11.042 1.00 0.00 C ATOM 549 O LEU A 34 12.636 -18.067 -11.225 1.00 0.00 O ATOM 550 CB LEU A 34 10.717 -15.267 -10.598 1.00 0.00 C ATOM 551 CG LEU A 34 11.891 -14.519 -9.961 1.00 0.00 C ATOM 552 CD1 LEU A 34 12.503 -13.531 -10.944 1.00 0.00 C ATOM 553 CD2 LEU A 34 11.434 -13.802 -8.698 1.00 0.00 C ATOM 0 H LEU A 34 9.104 -16.029 -12.307 1.00 0.00 H new ATOM 0 HA LEU A 34 11.942 -15.905 -12.251 1.00 0.00 H new ATOM 0 HB2 LEU A 34 10.035 -14.535 -11.031 1.00 0.00 H new ATOM 0 HB3 LEU A 34 10.170 -15.787 -9.811 1.00 0.00 H new ATOM 0 HG LEU A 34 12.657 -15.247 -9.693 1.00 0.00 H new ATOM 0 HD11 LEU A 34 13.335 -13.012 -10.468 1.00 0.00 H new ATOM 0 HD12 LEU A 34 12.864 -14.067 -11.822 1.00 0.00 H new ATOM 0 HD13 LEU A 34 11.749 -12.805 -11.247 1.00 0.00 H new ATOM 0 HD21 LEU A 34 12.278 -13.274 -8.254 1.00 0.00 H new ATOM 0 HD22 LEU A 34 10.650 -13.088 -8.949 1.00 0.00 H new ATOM 0 HD23 LEU A 34 11.047 -14.531 -7.986 1.00 0.00 H new ATOM 565 N GLY A 35 10.586 -18.225 -10.295 1.00 0.00 N ATOM 566 CA GLY A 35 10.877 -19.493 -9.644 1.00 0.00 C ATOM 567 C GLY A 35 10.715 -19.429 -8.138 1.00 0.00 C ATOM 568 O GLY A 35 11.701 -19.502 -7.403 1.00 0.00 O ATOM 0 H GLY A 35 9.646 -17.866 -10.130 1.00 0.00 H new ATOM 0 HA2 GLY A 35 10.216 -20.262 -10.044 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.897 -19.794 -9.883 1.00 0.00 H new ATOM 572 N LEU A 36 9.471 -19.294 -7.675 1.00 0.00 N ATOM 573 CA LEU A 36 9.192 -19.222 -6.243 1.00 0.00 C ATOM 574 C LEU A 36 7.915 -19.988 -5.887 1.00 0.00 C ATOM 575 O LEU A 36 6.948 -19.411 -5.383 1.00 0.00 O ATOM 576 CB LEU A 36 9.086 -17.759 -5.794 1.00 0.00 C ATOM 577 CG LEU A 36 10.397 -17.143 -5.300 1.00 0.00 C ATOM 578 CD1 LEU A 36 11.148 -16.488 -6.449 1.00 0.00 C ATOM 579 CD2 LEU A 36 10.129 -16.137 -4.190 1.00 0.00 C ATOM 0 H LEU A 36 8.645 -19.233 -8.270 1.00 0.00 H new ATOM 0 HA LEU A 36 10.021 -19.692 -5.713 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.713 -17.164 -6.627 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.346 -17.691 -4.997 1.00 0.00 H new ATOM 0 HG LEU A 36 11.021 -17.941 -4.896 1.00 0.00 H new ATOM 0 HD11 LEU A 36 12.077 -16.056 -6.077 1.00 0.00 H new ATOM 0 HD12 LEU A 36 11.374 -17.236 -7.209 1.00 0.00 H new ATOM 0 HD13 LEU A 36 10.532 -15.702 -6.885 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.073 -15.709 -3.851 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.485 -15.342 -4.567 1.00 0.00 H new ATOM 0 HD23 LEU A 36 9.637 -16.638 -3.356 1.00 0.00 H new ATOM 591 N HIS A 37 7.925 -21.297 -6.150 1.00 0.00 N ATOM 592 CA HIS A 37 6.776 -22.158 -5.855 1.00 0.00 C ATOM 593 C HIS A 37 6.364 -22.056 -4.382 1.00 0.00 C ATOM 594 O HIS A 37 5.179 -22.133 -4.057 1.00 0.00 O ATOM 595 CB HIS A 37 7.086 -23.619 -6.216 1.00 0.00 C ATOM 596 CG HIS A 37 8.046 -24.307 -5.286 1.00 0.00 C ATOM 597 ND1 HIS A 37 9.252 -23.760 -4.893 1.00 0.00 N ATOM 598 CD2 HIS A 37 7.971 -25.516 -4.677 1.00 0.00 C ATOM 599 CE1 HIS A 37 9.875 -24.604 -4.088 1.00 0.00 C ATOM 600 NE2 HIS A 37 9.119 -25.675 -3.941 1.00 0.00 N ATOM 0 H HIS A 37 8.717 -21.785 -6.567 1.00 0.00 H new ATOM 0 HA HIS A 37 5.942 -21.812 -6.466 1.00 0.00 H new ATOM 0 HB2 HIS A 37 6.152 -24.181 -6.232 1.00 0.00 H new ATOM 0 HB3 HIS A 37 7.495 -23.650 -7.226 1.00 0.00 H new ATOM 0 HD2 HIS A 37 7.159 -26.223 -4.756 1.00 0.00 H new ATOM 0 HE1 HIS A 37 10.839 -24.444 -3.629 1.00 0.00 H new ATOM 0 HE2 HIS A 37 9.350 -26.490 -3.372 1.00 0.00 H new ATOM 609 N ASP A 38 7.350 -21.877 -3.500 1.00 0.00 N ATOM 610 CA ASP A 38 7.096 -21.757 -2.065 1.00 0.00 C ATOM 611 C ASP A 38 6.374 -20.448 -1.746 1.00 0.00 C ATOM 612 O ASP A 38 5.453 -20.426 -0.931 1.00 0.00 O ATOM 613 CB ASP A 38 8.411 -21.837 -1.279 1.00 0.00 C ATOM 614 CG ASP A 38 9.411 -20.778 -1.709 1.00 0.00 C ATOM 615 OD1 ASP A 38 9.994 -20.921 -2.806 1.00 0.00 O ATOM 616 OD2 ASP A 38 9.606 -19.804 -0.952 1.00 0.00 O ATOM 0 H ASP A 38 8.335 -21.812 -3.757 1.00 0.00 H new ATOM 0 HA ASP A 38 6.455 -22.586 -1.766 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.202 -21.724 -0.215 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.852 -22.825 -1.414 1.00 0.00 H new ATOM 621 N TYR A 39 6.795 -19.359 -2.403 1.00 0.00 N ATOM 622 CA TYR A 39 6.182 -18.046 -2.196 1.00 0.00 C ATOM 623 C TYR A 39 4.668 -18.113 -2.405 1.00 0.00 C ATOM 624 O TYR A 39 3.908 -17.458 -1.692 1.00 0.00 O ATOM 625 CB TYR A 39 6.800 -17.013 -3.149 1.00 0.00 C ATOM 626 CG TYR A 39 6.465 -15.574 -2.809 1.00 0.00 C ATOM 627 CD1 TYR A 39 5.256 -15.010 -3.200 1.00 0.00 C ATOM 628 CD2 TYR A 39 7.362 -14.778 -2.108 1.00 0.00 C ATOM 629 CE1 TYR A 39 4.951 -13.695 -2.900 1.00 0.00 C ATOM 630 CE2 TYR A 39 7.066 -13.462 -1.806 1.00 0.00 C ATOM 631 CZ TYR A 39 5.860 -12.926 -2.204 1.00 0.00 C ATOM 632 OH TYR A 39 5.564 -11.614 -1.909 1.00 0.00 O ATOM 0 H TYR A 39 7.557 -19.364 -3.081 1.00 0.00 H new ATOM 0 HA TYR A 39 6.375 -17.739 -1.168 1.00 0.00 H new ATOM 0 HB2 TYR A 39 7.883 -17.133 -3.144 1.00 0.00 H new ATOM 0 HB3 TYR A 39 6.461 -17.223 -4.163 1.00 0.00 H new ATOM 0 HD1 TYR A 39 4.543 -15.609 -3.747 1.00 0.00 H new ATOM 0 HD2 TYR A 39 8.307 -15.195 -1.793 1.00 0.00 H new ATOM 0 HE1 TYR A 39 4.006 -13.273 -3.209 1.00 0.00 H new ATOM 0 HE2 TYR A 39 7.776 -12.857 -1.261 1.00 0.00 H new ATOM 0 HH TYR A 39 6.309 -11.214 -1.414 1.00 0.00 H new ATOM 642 N HIS A 40 4.240 -18.916 -3.384 1.00 0.00 N ATOM 643 CA HIS A 40 2.819 -19.073 -3.680 1.00 0.00 C ATOM 644 C HIS A 40 2.166 -20.099 -2.749 1.00 0.00 C ATOM 645 O HIS A 40 0.989 -19.973 -2.414 1.00 0.00 O ATOM 646 CB HIS A 40 2.621 -19.485 -5.142 1.00 0.00 C ATOM 647 CG HIS A 40 1.509 -18.746 -5.823 1.00 0.00 C ATOM 648 ND1 HIS A 40 0.240 -18.633 -5.291 1.00 0.00 N ATOM 649 CD2 HIS A 40 1.482 -18.075 -6.999 1.00 0.00 C ATOM 650 CE1 HIS A 40 -0.517 -17.925 -6.110 1.00 0.00 C ATOM 651 NE2 HIS A 40 0.212 -17.574 -7.153 1.00 0.00 N ATOM 0 H HIS A 40 4.858 -19.465 -3.982 1.00 0.00 H new ATOM 0 HA HIS A 40 2.335 -18.110 -3.513 1.00 0.00 H new ATOM 0 HB2 HIS A 40 3.549 -19.315 -5.689 1.00 0.00 H new ATOM 0 HB3 HIS A 40 2.417 -20.555 -5.186 1.00 0.00 H new ATOM 0 HD2 HIS A 40 2.305 -17.956 -7.688 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -1.556 -17.676 -5.953 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -0.115 -17.020 -7.945 1.00 0.00 H new ATOM 660 N ASP A 41 2.932 -21.112 -2.335 1.00 0.00 N ATOM 661 CA ASP A 41 2.417 -22.152 -1.443 1.00 0.00 C ATOM 662 C ASP A 41 2.182 -21.613 -0.029 1.00 0.00 C ATOM 663 O ASP A 41 1.254 -22.046 0.656 1.00 0.00 O ATOM 664 CB ASP A 41 3.382 -23.344 -1.393 1.00 0.00 C ATOM 665 CG ASP A 41 3.036 -24.427 -2.403 1.00 0.00 C ATOM 666 OD1 ASP A 41 2.483 -24.095 -3.475 1.00 0.00 O ATOM 667 OD2 ASP A 41 3.325 -25.608 -2.122 1.00 0.00 O ATOM 0 H ASP A 41 3.909 -21.233 -2.603 1.00 0.00 H new ATOM 0 HA ASP A 41 1.459 -22.483 -1.844 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.397 -22.992 -1.579 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.371 -23.772 -0.391 1.00 0.00 H new ATOM 672 N ILE A 42 3.028 -20.675 0.405 1.00 0.00 N ATOM 673 CA ILE A 42 2.908 -20.089 1.740 1.00 0.00 C ATOM 674 C ILE A 42 1.875 -18.961 1.767 1.00 0.00 C ATOM 675 O ILE A 42 0.861 -19.058 2.461 1.00 0.00 O ATOM 676 CB ILE A 42 4.260 -19.535 2.245 1.00 0.00 C ATOM 677 CG1 ILE A 42 5.362 -20.591 2.129 1.00 0.00 C ATOM 678 CG2 ILE A 42 4.138 -19.055 3.686 1.00 0.00 C ATOM 679 CD1 ILE A 42 6.745 -19.996 1.975 1.00 0.00 C ATOM 0 H ILE A 42 3.802 -20.307 -0.148 1.00 0.00 H new ATOM 0 HA ILE A 42 2.582 -20.894 2.398 1.00 0.00 H new ATOM 0 HB ILE A 42 4.531 -18.687 1.617 1.00 0.00 H new ATOM 0 HG12 ILE A 42 5.343 -21.225 3.015 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.152 -21.233 1.273 1.00 0.00 H new ATOM 0 HG21 ILE A 42 5.100 -18.669 4.023 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.389 -18.265 3.744 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.838 -19.887 4.323 1.00 0.00 H new ATOM 0 HD11 ILE A 42 7.480 -20.798 1.898 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.780 -19.384 1.073 1.00 0.00 H new ATOM 0 HD13 ILE A 42 6.973 -19.377 2.842 1.00 0.00 H new ATOM 691 N ILE A 43 2.145 -17.888 1.019 1.00 0.00 N ATOM 692 CA ILE A 43 1.246 -16.735 0.970 1.00 0.00 C ATOM 693 C ILE A 43 -0.062 -17.079 0.258 1.00 0.00 C ATOM 694 O ILE A 43 -1.145 -16.882 0.814 1.00 0.00 O ATOM 695 CB ILE A 43 1.912 -15.528 0.270 1.00 0.00 C ATOM 696 CG1 ILE A 43 3.234 -15.173 0.957 1.00 0.00 C ATOM 697 CG2 ILE A 43 0.977 -14.325 0.266 1.00 0.00 C ATOM 698 CD1 ILE A 43 4.205 -14.446 0.055 1.00 0.00 C ATOM 0 H ILE A 43 2.979 -17.795 0.439 1.00 0.00 H new ATOM 0 HA ILE A 43 1.025 -16.464 2.002 1.00 0.00 H new ATOM 0 HB ILE A 43 2.120 -15.805 -0.763 1.00 0.00 H new ATOM 0 HG12 ILE A 43 3.026 -14.553 1.829 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.703 -16.088 1.320 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.465 -13.487 -0.231 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.060 -14.579 -0.266 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.736 -14.048 1.292 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.119 -14.226 0.607 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.442 -15.073 -0.805 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.755 -13.514 -0.288 1.00 0.00 H new ATOM 710 N LYS A 44 0.049 -17.591 -0.976 1.00 0.00 N ATOM 711 CA LYS A 44 -1.113 -17.975 -1.786 1.00 0.00 C ATOM 712 C LYS A 44 -1.803 -16.769 -2.437 1.00 0.00 C ATOM 713 O LYS A 44 -2.461 -16.916 -3.468 1.00 0.00 O ATOM 714 CB LYS A 44 -2.117 -18.763 -0.943 1.00 0.00 C ATOM 715 CG LYS A 44 -3.014 -19.680 -1.759 1.00 0.00 C ATOM 716 CD LYS A 44 -4.359 -19.894 -1.079 1.00 0.00 C ATOM 717 CE LYS A 44 -4.684 -21.373 -0.927 1.00 0.00 C ATOM 718 NZ LYS A 44 -5.723 -21.615 0.116 1.00 0.00 N ATOM 0 H LYS A 44 0.944 -17.750 -1.438 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.740 -18.607 -2.592 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.574 -19.359 -0.210 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.739 -18.062 -0.386 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.170 -19.252 -2.749 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.520 -20.641 -1.902 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.350 -19.421 -0.097 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.142 -19.407 -1.660 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.031 -21.767 -1.882 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.777 -21.918 -0.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.914 -22.635 0.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.383 -21.262 1.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.598 -21.116 -0.143 1.00 0.00 H new ATOM 732 N HIS A 45 -1.656 -15.584 -1.841 1.00 0.00 N ATOM 733 CA HIS A 45 -2.271 -14.371 -2.376 1.00 0.00 C ATOM 734 C HIS A 45 -1.214 -13.301 -2.668 1.00 0.00 C ATOM 735 O HIS A 45 -1.044 -12.358 -1.894 1.00 0.00 O ATOM 736 CB HIS A 45 -3.314 -13.830 -1.389 1.00 0.00 C ATOM 737 CG HIS A 45 -4.538 -13.264 -2.045 1.00 0.00 C ATOM 738 ND1 HIS A 45 -5.155 -12.108 -1.612 1.00 0.00 N ATOM 739 CD2 HIS A 45 -5.266 -13.702 -3.101 1.00 0.00 C ATOM 740 CE1 HIS A 45 -6.208 -11.861 -2.370 1.00 0.00 C ATOM 741 NE2 HIS A 45 -6.297 -12.812 -3.281 1.00 0.00 N ATOM 0 H HIS A 45 -1.116 -15.440 -0.988 1.00 0.00 H new ATOM 0 HA HIS A 45 -2.765 -14.624 -3.314 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -3.614 -14.633 -0.716 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -2.852 -13.056 -0.776 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -5.072 -14.586 -3.691 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.881 -11.024 -2.263 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -7.015 -12.876 -4.002 1.00 0.00 H new ATOM 750 N PRO A 46 -0.486 -13.437 -3.796 1.00 0.00 N ATOM 751 CA PRO A 46 0.558 -12.478 -4.192 1.00 0.00 C ATOM 752 C PRO A 46 0.003 -11.066 -4.396 1.00 0.00 C ATOM 753 O PRO A 46 -0.475 -10.726 -5.481 1.00 0.00 O ATOM 754 CB PRO A 46 1.088 -13.042 -5.517 1.00 0.00 C ATOM 755 CG PRO A 46 0.681 -14.475 -5.521 1.00 0.00 C ATOM 756 CD PRO A 46 -0.618 -14.533 -4.771 1.00 0.00 C ATOM 0 HA PRO A 46 1.325 -12.376 -3.424 1.00 0.00 H new ATOM 0 HB2 PRO A 46 0.665 -12.510 -6.369 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.171 -12.940 -5.583 1.00 0.00 H new ATOM 0 HG2 PRO A 46 0.561 -14.845 -6.539 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.437 -15.098 -5.043 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -1.472 -14.385 -5.431 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -0.758 -15.496 -4.280 1.00 0.00 H new ATOM 764 N MET A 47 0.068 -10.253 -3.343 1.00 0.00 N ATOM 765 CA MET A 47 -0.429 -8.880 -3.398 1.00 0.00 C ATOM 766 C MET A 47 0.700 -7.901 -3.718 1.00 0.00 C ATOM 767 O MET A 47 1.658 -7.771 -2.953 1.00 0.00 O ATOM 768 CB MET A 47 -1.091 -8.502 -2.070 1.00 0.00 C ATOM 769 CG MET A 47 -2.532 -8.041 -2.215 1.00 0.00 C ATOM 770 SD MET A 47 -2.709 -6.666 -3.368 1.00 0.00 S ATOM 771 CE MET A 47 -4.061 -7.251 -4.387 1.00 0.00 C ATOM 0 H MET A 47 0.460 -10.522 -2.441 1.00 0.00 H new ATOM 0 HA MET A 47 -1.170 -8.820 -4.195 1.00 0.00 H new ATOM 0 HB2 MET A 47 -1.060 -9.362 -1.401 1.00 0.00 H new ATOM 0 HB3 MET A 47 -0.511 -7.709 -1.598 1.00 0.00 H new ATOM 0 HG2 MET A 47 -3.144 -8.876 -2.555 1.00 0.00 H new ATOM 0 HG3 MET A 47 -2.914 -7.743 -1.239 1.00 0.00 H new ATOM 0 HE1 MET A 47 -4.289 -6.507 -5.151 1.00 0.00 H new ATOM 0 HE2 MET A 47 -3.777 -8.188 -4.866 1.00 0.00 H new ATOM 0 HE3 MET A 47 -4.941 -7.414 -3.765 1.00 0.00 H new ATOM 781 N ASP A 48 0.577 -7.215 -4.855 1.00 0.00 N ATOM 782 CA ASP A 48 1.585 -6.245 -5.287 1.00 0.00 C ATOM 783 C ASP A 48 0.956 -4.873 -5.547 1.00 0.00 C ATOM 784 O ASP A 48 -0.253 -4.764 -5.768 1.00 0.00 O ATOM 785 CB ASP A 48 2.296 -6.744 -6.549 1.00 0.00 C ATOM 786 CG ASP A 48 1.332 -7.095 -7.667 1.00 0.00 C ATOM 787 OD1 ASP A 48 0.759 -8.206 -7.632 1.00 0.00 O ATOM 788 OD2 ASP A 48 1.151 -6.261 -8.577 1.00 0.00 O ATOM 0 H ASP A 48 -0.212 -7.313 -5.494 1.00 0.00 H new ATOM 0 HA ASP A 48 2.315 -6.139 -4.484 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.987 -5.977 -6.899 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.893 -7.622 -6.301 1.00 0.00 H new ATOM 793 N LEU A 49 1.789 -3.828 -5.514 1.00 0.00 N ATOM 794 CA LEU A 49 1.323 -2.457 -5.740 1.00 0.00 C ATOM 795 C LEU A 49 0.724 -2.281 -7.138 1.00 0.00 C ATOM 796 O LEU A 49 -0.197 -1.483 -7.323 1.00 0.00 O ATOM 797 CB LEU A 49 2.470 -1.458 -5.533 1.00 0.00 C ATOM 798 CG LEU A 49 2.218 -0.394 -4.460 1.00 0.00 C ATOM 799 CD1 LEU A 49 2.522 -0.945 -3.075 1.00 0.00 C ATOM 800 CD2 LEU A 49 3.049 0.850 -4.732 1.00 0.00 C ATOM 0 H LEU A 49 2.790 -3.906 -5.333 1.00 0.00 H new ATOM 0 HA LEU A 49 0.537 -2.259 -5.012 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.371 -2.012 -5.269 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.670 -0.957 -6.480 1.00 0.00 H new ATOM 0 HG LEU A 49 1.164 -0.118 -4.496 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.337 -0.173 -2.328 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.881 -1.804 -2.876 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.567 -1.253 -3.027 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.855 1.593 -3.959 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.107 0.589 -4.727 1.00 0.00 H new ATOM 0 HD23 LEU A 49 2.781 1.261 -5.705 1.00 0.00 H new ATOM 812 N SER A 50 1.247 -3.023 -8.120 1.00 0.00 N ATOM 813 CA SER A 50 0.750 -2.933 -9.495 1.00 0.00 C ATOM 814 C SER A 50 -0.737 -3.281 -9.568 1.00 0.00 C ATOM 815 O SER A 50 -1.496 -2.632 -10.291 1.00 0.00 O ATOM 816 CB SER A 50 1.551 -3.849 -10.428 1.00 0.00 C ATOM 817 OG SER A 50 1.844 -3.199 -11.655 1.00 0.00 O ATOM 0 H SER A 50 2.009 -3.688 -7.989 1.00 0.00 H new ATOM 0 HA SER A 50 0.879 -1.902 -9.824 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.479 -4.148 -9.941 1.00 0.00 H new ATOM 0 HB3 SER A 50 0.985 -4.760 -10.622 1.00 0.00 H new ATOM 0 HG SER A 50 2.357 -3.804 -12.231 1.00 0.00 H new ATOM 823 N THR A 51 -1.152 -4.301 -8.813 1.00 0.00 N ATOM 824 CA THR A 51 -2.553 -4.715 -8.795 1.00 0.00 C ATOM 825 C THR A 51 -3.409 -3.702 -8.030 1.00 0.00 C ATOM 826 O THR A 51 -4.549 -3.432 -8.415 1.00 0.00 O ATOM 827 CB THR A 51 -2.699 -6.113 -8.177 1.00 0.00 C ATOM 828 OG1 THR A 51 -1.770 -7.020 -8.752 1.00 0.00 O ATOM 829 CG2 THR A 51 -4.084 -6.703 -8.358 1.00 0.00 C ATOM 0 H THR A 51 -0.540 -4.851 -8.210 1.00 0.00 H new ATOM 0 HA THR A 51 -2.906 -4.755 -9.826 1.00 0.00 H new ATOM 0 HB THR A 51 -2.510 -5.978 -7.112 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.879 -7.904 -8.343 1.00 0.00 H new ATOM 0 HG21 THR A 51 -4.121 -7.691 -7.899 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.821 -6.055 -7.884 1.00 0.00 H new ATOM 0 HG23 THR A 51 -4.307 -6.788 -9.422 1.00 0.00 H new ATOM 837 N VAL A 52 -2.850 -3.135 -6.955 1.00 0.00 N ATOM 838 CA VAL A 52 -3.563 -2.142 -6.147 1.00 0.00 C ATOM 839 C VAL A 52 -3.956 -0.924 -6.989 1.00 0.00 C ATOM 840 O VAL A 52 -5.068 -0.406 -6.861 1.00 0.00 O ATOM 841 CB VAL A 52 -2.720 -1.670 -4.939 1.00 0.00 C ATOM 842 CG1 VAL A 52 -3.536 -0.744 -4.046 1.00 0.00 C ATOM 843 CG2 VAL A 52 -2.195 -2.859 -4.142 1.00 0.00 C ATOM 0 H VAL A 52 -1.908 -3.347 -6.626 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.463 -2.633 -5.775 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.863 -1.115 -5.321 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.926 -0.422 -3.202 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.852 0.128 -4.618 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.414 -1.274 -3.678 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.606 -2.500 -3.298 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.034 -3.449 -3.773 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.569 -3.479 -4.784 1.00 0.00 H new ATOM 853 N LYS A 53 -3.040 -0.479 -7.857 1.00 0.00 N ATOM 854 CA LYS A 53 -3.297 0.669 -8.729 1.00 0.00 C ATOM 855 C LYS A 53 -4.436 0.361 -9.703 1.00 0.00 C ATOM 856 O LYS A 53 -5.259 1.230 -10.000 1.00 0.00 O ATOM 857 CB LYS A 53 -2.026 1.053 -9.500 1.00 0.00 C ATOM 858 CG LYS A 53 -2.048 2.469 -10.065 1.00 0.00 C ATOM 859 CD LYS A 53 -1.671 3.507 -9.013 1.00 0.00 C ATOM 860 CE LYS A 53 -1.586 4.906 -9.613 1.00 0.00 C ATOM 861 NZ LYS A 53 -1.676 5.972 -8.574 1.00 0.00 N ATOM 0 H LYS A 53 -2.117 -0.897 -7.973 1.00 0.00 H new ATOM 0 HA LYS A 53 -3.594 1.512 -8.106 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -1.167 0.950 -8.838 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.883 0.348 -10.319 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.356 2.536 -10.905 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.042 2.690 -10.453 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.409 3.498 -8.211 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -0.712 3.243 -8.567 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -0.647 5.010 -10.157 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.390 5.038 -10.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -1.936 6.873 -9.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.399 5.713 -7.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -0.756 6.074 -8.100 1.00 0.00 H new ATOM 875 N ARG A 54 -4.484 -0.886 -10.185 1.00 0.00 N ATOM 876 CA ARG A 54 -5.529 -1.319 -11.115 1.00 0.00 C ATOM 877 C ARG A 54 -6.919 -1.202 -10.480 1.00 0.00 C ATOM 878 O ARG A 54 -7.893 -0.897 -11.169 1.00 0.00 O ATOM 879 CB ARG A 54 -5.284 -2.765 -11.565 1.00 0.00 C ATOM 880 CG ARG A 54 -5.034 -2.910 -13.060 1.00 0.00 C ATOM 881 CD ARG A 54 -3.569 -2.689 -13.411 1.00 0.00 C ATOM 882 NE ARG A 54 -3.308 -1.315 -13.847 1.00 0.00 N ATOM 883 CZ ARG A 54 -2.221 -0.936 -14.524 1.00 0.00 C ATOM 884 NH1 ARG A 54 -1.279 -1.821 -14.844 1.00 0.00 N ATOM 885 NH2 ARG A 54 -2.078 0.334 -14.884 1.00 0.00 N ATOM 0 H ARG A 54 -3.810 -1.613 -9.945 1.00 0.00 H new ATOM 0 HA ARG A 54 -5.490 -0.663 -11.985 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -4.427 -3.164 -11.023 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -6.146 -3.372 -11.290 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -5.340 -3.904 -13.385 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -5.650 -2.193 -13.603 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.950 -2.917 -12.543 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -3.278 -3.381 -14.201 1.00 0.00 H new ATOM 0 HE ARG A 54 -4.001 -0.602 -13.619 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.384 -2.798 -14.572 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -0.452 -1.522 -15.361 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -2.797 1.016 -14.643 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -1.249 0.627 -15.401 1.00 0.00 H new ATOM 899 N LYS A 55 -7.003 -1.443 -9.165 1.00 0.00 N ATOM 900 CA LYS A 55 -8.278 -1.357 -8.446 1.00 0.00 C ATOM 901 C LYS A 55 -8.806 0.075 -8.455 1.00 0.00 C ATOM 902 O LYS A 55 -9.983 0.305 -8.718 1.00 0.00 O ATOM 903 CB LYS A 55 -8.136 -1.844 -6.994 1.00 0.00 C ATOM 904 CG LYS A 55 -7.287 -3.098 -6.822 1.00 0.00 C ATOM 905 CD LYS A 55 -7.651 -4.170 -7.835 1.00 0.00 C ATOM 906 CE LYS A 55 -7.691 -5.551 -7.197 1.00 0.00 C ATOM 907 NZ LYS A 55 -8.998 -5.832 -6.535 1.00 0.00 N ATOM 0 H LYS A 55 -6.207 -1.698 -8.581 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.987 -2.005 -8.961 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -7.700 -1.042 -6.397 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -9.130 -2.037 -6.591 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.233 -2.841 -6.928 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.419 -3.491 -5.814 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -8.623 -3.943 -8.273 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.925 -4.165 -8.648 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.503 -6.307 -7.960 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.890 -5.633 -6.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.841 -6.031 -5.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.621 -5.005 -6.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.445 -6.657 -6.985 1.00 0.00 H new ATOM 921 N MET A 56 -7.924 1.035 -8.171 1.00 0.00 N ATOM 922 CA MET A 56 -8.304 2.448 -8.155 1.00 0.00 C ATOM 923 C MET A 56 -8.663 2.937 -9.559 1.00 0.00 C ATOM 924 O MET A 56 -9.517 3.810 -9.718 1.00 0.00 O ATOM 925 CB MET A 56 -7.175 3.309 -7.575 1.00 0.00 C ATOM 926 CG MET A 56 -6.913 3.058 -6.098 1.00 0.00 C ATOM 927 SD MET A 56 -6.480 4.563 -5.202 1.00 0.00 S ATOM 928 CE MET A 56 -8.082 5.353 -5.057 1.00 0.00 C ATOM 0 H MET A 56 -6.944 0.860 -7.949 1.00 0.00 H new ATOM 0 HA MET A 56 -9.183 2.546 -7.519 1.00 0.00 H new ATOM 0 HB2 MET A 56 -6.260 3.118 -8.135 1.00 0.00 H new ATOM 0 HB3 MET A 56 -7.422 4.361 -7.718 1.00 0.00 H new ATOM 0 HG2 MET A 56 -7.800 2.614 -5.646 1.00 0.00 H new ATOM 0 HG3 MET A 56 -6.105 2.333 -5.994 1.00 0.00 H new ATOM 0 HE1 MET A 56 -7.949 6.392 -4.755 1.00 0.00 H new ATOM 0 HE2 MET A 56 -8.594 5.317 -6.019 1.00 0.00 H new ATOM 0 HE3 MET A 56 -8.679 4.831 -4.309 1.00 0.00 H new ATOM 938 N GLU A 57 -8.010 2.363 -10.573 1.00 0.00 N ATOM 939 CA GLU A 57 -8.261 2.735 -11.965 1.00 0.00 C ATOM 940 C GLU A 57 -9.619 2.217 -12.440 1.00 0.00 C ATOM 941 O GLU A 57 -10.282 2.854 -13.259 1.00 0.00 O ATOM 942 CB GLU A 57 -7.154 2.194 -12.875 1.00 0.00 C ATOM 943 CG GLU A 57 -5.845 2.961 -12.769 1.00 0.00 C ATOM 944 CD GLU A 57 -4.920 2.702 -13.944 1.00 0.00 C ATOM 945 OE1 GLU A 57 -4.548 1.528 -14.159 1.00 0.00 O ATOM 946 OE2 GLU A 57 -4.567 3.670 -14.647 1.00 0.00 O ATOM 0 H GLU A 57 -7.303 1.638 -10.454 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.268 3.824 -12.019 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.973 1.148 -12.629 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.499 2.223 -13.909 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.058 4.028 -12.707 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.339 2.683 -11.845 1.00 0.00 H new ATOM 953 N ASN A 58 -10.025 1.059 -11.918 1.00 0.00 N ATOM 954 CA ASN A 58 -11.298 0.449 -12.279 1.00 0.00 C ATOM 955 C ASN A 58 -12.366 0.742 -11.225 1.00 0.00 C ATOM 956 O ASN A 58 -13.522 0.346 -11.382 1.00 0.00 O ATOM 957 CB ASN A 58 -11.119 -1.066 -12.448 1.00 0.00 C ATOM 958 CG ASN A 58 -11.366 -1.528 -13.872 1.00 0.00 C ATOM 959 OD1 ASN A 58 -12.125 -2.468 -14.107 1.00 0.00 O ATOM 960 ND2 ASN A 58 -10.722 -0.872 -14.833 1.00 0.00 N ATOM 0 H ASN A 58 -9.484 0.524 -11.239 1.00 0.00 H new ATOM 0 HA ASN A 58 -11.631 0.879 -13.223 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -10.108 -1.344 -12.150 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -11.803 -1.586 -11.778 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -10.848 -1.143 -15.808 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -10.102 -0.098 -14.595 1.00 0.00 H new ATOM 967 N ARG A 59 -11.970 1.431 -10.144 1.00 0.00 N ATOM 968 CA ARG A 59 -12.882 1.766 -9.063 1.00 0.00 C ATOM 969 C ARG A 59 -13.406 0.495 -8.401 1.00 0.00 C ATOM 970 O ARG A 59 -14.594 0.376 -8.103 1.00 0.00 O ATOM 971 CB ARG A 59 -14.033 2.629 -9.580 1.00 0.00 C ATOM 972 CG ARG A 59 -14.759 3.392 -8.482 1.00 0.00 C ATOM 973 CD ARG A 59 -15.580 4.546 -9.043 1.00 0.00 C ATOM 974 NE ARG A 59 -16.998 4.204 -9.183 1.00 0.00 N ATOM 975 CZ ARG A 59 -17.839 4.050 -8.156 1.00 0.00 C ATOM 976 NH1 ARG A 59 -17.413 4.196 -6.905 1.00 0.00 N ATOM 977 NH2 ARG A 59 -19.114 3.751 -8.381 1.00 0.00 N ATOM 0 H ARG A 59 -11.016 1.764 -10.004 1.00 0.00 H new ATOM 0 HA ARG A 59 -12.340 2.343 -8.314 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -13.645 3.340 -10.310 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -14.747 1.993 -10.103 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -15.414 2.711 -7.938 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -14.033 3.777 -7.766 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -15.480 5.412 -8.388 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -15.180 4.834 -10.015 1.00 0.00 H new ATOM 0 HE ARG A 59 -17.367 4.075 -10.125 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -16.437 4.428 -6.723 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -18.063 4.076 -6.128 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -19.450 3.639 -9.337 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -19.756 3.633 -7.597 1.00 0.00 H new ATOM 991 N ASP A 60 -12.496 -0.452 -8.178 1.00 0.00 N ATOM 992 CA ASP A 60 -12.832 -1.725 -7.548 1.00 0.00 C ATOM 993 C ASP A 60 -13.015 -1.549 -6.042 1.00 0.00 C ATOM 994 O ASP A 60 -13.891 -2.168 -5.438 1.00 0.00 O ATOM 995 CB ASP A 60 -11.728 -2.753 -7.823 1.00 0.00 C ATOM 996 CG ASP A 60 -12.085 -4.143 -7.331 1.00 0.00 C ATOM 997 OD1 ASP A 60 -11.846 -4.429 -6.137 1.00 0.00 O ATOM 998 OD2 ASP A 60 -12.594 -4.946 -8.142 1.00 0.00 O ATOM 0 H ASP A 60 -11.511 -0.358 -8.428 1.00 0.00 H new ATOM 0 HA ASP A 60 -13.770 -2.083 -7.972 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -11.532 -2.791 -8.894 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.806 -2.427 -7.341 1.00 0.00 H new ATOM 1003 N TYR A 61 -12.173 -0.702 -5.445 1.00 0.00 N ATOM 1004 CA TYR A 61 -12.228 -0.445 -4.007 1.00 0.00 C ATOM 1005 C TYR A 61 -13.531 0.254 -3.609 1.00 0.00 C ATOM 1006 O TYR A 61 -14.355 -0.318 -2.894 1.00 0.00 O ATOM 1007 CB TYR A 61 -11.030 0.409 -3.571 1.00 0.00 C ATOM 1008 CG TYR A 61 -9.707 -0.331 -3.537 1.00 0.00 C ATOM 1009 CD1 TYR A 61 -9.601 -1.593 -2.961 1.00 0.00 C ATOM 1010 CD2 TYR A 61 -8.560 0.240 -4.076 1.00 0.00 C ATOM 1011 CE1 TYR A 61 -8.391 -2.262 -2.926 1.00 0.00 C ATOM 1012 CE2 TYR A 61 -7.348 -0.423 -4.046 1.00 0.00 C ATOM 1013 CZ TYR A 61 -7.269 -1.673 -3.470 1.00 0.00 C ATOM 1014 OH TYR A 61 -6.061 -2.334 -3.438 1.00 0.00 O ATOM 0 H TYR A 61 -11.445 -0.183 -5.937 1.00 0.00 H new ATOM 0 HA TYR A 61 -12.190 -1.409 -3.501 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -10.939 1.258 -4.249 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -11.231 0.814 -2.579 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -10.478 -2.058 -2.534 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -8.617 1.220 -4.527 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -8.325 -3.241 -2.475 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -6.468 0.036 -4.471 1.00 0.00 H new ATOM 0 HH TYR A 61 -6.032 -2.998 -4.158 1.00 0.00 H new ATOM 1024 N ARG A 62 -13.699 1.501 -4.068 1.00 0.00 N ATOM 1025 CA ARG A 62 -14.891 2.301 -3.759 1.00 0.00 C ATOM 1026 C ARG A 62 -15.024 2.567 -2.252 1.00 0.00 C ATOM 1027 O ARG A 62 -16.097 2.949 -1.781 1.00 0.00 O ATOM 1028 CB ARG A 62 -16.165 1.620 -4.285 1.00 0.00 C ATOM 1029 CG ARG A 62 -16.007 1.011 -5.673 1.00 0.00 C ATOM 1030 CD ARG A 62 -17.350 0.704 -6.326 1.00 0.00 C ATOM 1031 NE ARG A 62 -17.201 0.416 -7.754 1.00 0.00 N ATOM 1032 CZ ARG A 62 -18.113 -0.213 -8.503 1.00 0.00 C ATOM 1033 NH1 ARG A 62 -19.266 -0.615 -7.976 1.00 0.00 N ATOM 1034 NH2 ARG A 62 -17.865 -0.441 -9.789 1.00 0.00 N ATOM 0 H ARG A 62 -13.019 1.980 -4.659 1.00 0.00 H new ATOM 0 HA ARG A 62 -14.769 3.260 -4.263 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -16.463 0.838 -3.587 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -16.973 2.351 -4.309 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -15.446 1.697 -6.307 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -15.422 0.094 -5.601 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -17.811 -0.149 -5.828 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -18.022 1.552 -6.193 1.00 0.00 H new ATOM 0 HE ARG A 62 -16.340 0.717 -8.210 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -19.463 -0.445 -6.990 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -19.953 -1.094 -8.558 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -16.982 -0.137 -10.200 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -18.557 -0.920 -10.365 1.00 0.00 H new ATOM 1048 N ASP A 63 -13.932 2.375 -1.500 1.00 0.00 N ATOM 1049 CA ASP A 63 -13.937 2.602 -0.054 1.00 0.00 C ATOM 1050 C ASP A 63 -12.515 2.750 0.484 1.00 0.00 C ATOM 1051 O ASP A 63 -11.557 2.265 -0.124 1.00 0.00 O ATOM 1052 CB ASP A 63 -14.631 1.444 0.670 1.00 0.00 C ATOM 1053 CG ASP A 63 -16.113 1.688 0.879 1.00 0.00 C ATOM 1054 OD1 ASP A 63 -16.468 2.736 1.459 1.00 0.00 O ATOM 1055 OD2 ASP A 63 -16.919 0.827 0.468 1.00 0.00 O ATOM 0 H ASP A 63 -13.035 2.063 -1.872 1.00 0.00 H new ATOM 0 HA ASP A 63 -14.484 3.527 0.131 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -14.495 0.528 0.095 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -14.153 1.287 1.637 1.00 0.00 H new ATOM 1060 N ALA A 64 -12.385 3.404 1.638 1.00 0.00 N ATOM 1061 CA ALA A 64 -11.080 3.594 2.268 1.00 0.00 C ATOM 1062 C ALA A 64 -10.656 2.337 3.024 1.00 0.00 C ATOM 1063 O ALA A 64 -9.486 1.953 2.996 1.00 0.00 O ATOM 1064 CB ALA A 64 -11.101 4.795 3.204 1.00 0.00 C ATOM 0 H ALA A 64 -13.166 3.810 2.154 1.00 0.00 H new ATOM 0 HA ALA A 64 -10.351 3.785 1.481 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.119 4.917 3.662 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -11.352 5.693 2.639 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.847 4.636 3.983 1.00 0.00 H new ATOM 1070 N GLN A 65 -11.618 1.696 3.696 1.00 0.00 N ATOM 1071 CA GLN A 65 -11.343 0.477 4.455 1.00 0.00 C ATOM 1072 C GLN A 65 -10.823 -0.629 3.536 1.00 0.00 C ATOM 1073 O GLN A 65 -9.906 -1.366 3.904 1.00 0.00 O ATOM 1074 CB GLN A 65 -12.602 -0.001 5.191 1.00 0.00 C ATOM 1075 CG GLN A 65 -13.337 1.106 5.936 1.00 0.00 C ATOM 1076 CD GLN A 65 -13.749 0.698 7.339 1.00 0.00 C ATOM 1077 OE1 GLN A 65 -14.021 -0.474 7.605 1.00 0.00 O ATOM 1078 NE2 GLN A 65 -13.802 1.667 8.247 1.00 0.00 N ATOM 0 H GLN A 65 -12.591 2.002 3.728 1.00 0.00 H new ATOM 0 HA GLN A 65 -10.574 0.708 5.192 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -13.282 -0.455 4.470 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -12.323 -0.780 5.900 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -12.697 1.987 5.992 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -14.224 1.391 5.370 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -13.569 2.625 7.985 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -14.076 1.453 9.206 1.00 0.00 H new ATOM 1087 N GLU A 66 -11.405 -0.732 2.337 1.00 0.00 N ATOM 1088 CA GLU A 66 -10.989 -1.744 1.365 1.00 0.00 C ATOM 1089 C GLU A 66 -9.533 -1.542 0.949 1.00 0.00 C ATOM 1090 O GLU A 66 -8.773 -2.507 0.839 1.00 0.00 O ATOM 1091 CB GLU A 66 -11.886 -1.700 0.124 1.00 0.00 C ATOM 1092 CG GLU A 66 -13.061 -2.664 0.185 1.00 0.00 C ATOM 1093 CD GLU A 66 -12.827 -3.940 -0.607 1.00 0.00 C ATOM 1094 OE1 GLU A 66 -12.234 -3.864 -1.706 1.00 0.00 O ATOM 1095 OE2 GLU A 66 -13.239 -5.018 -0.128 1.00 0.00 O ATOM 0 H GLU A 66 -12.163 -0.128 2.018 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.084 -2.719 1.843 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -12.265 -0.686 -0.004 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.285 -1.929 -0.756 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -13.259 -2.921 1.226 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -13.952 -2.165 -0.196 1.00 0.00 H new ATOM 1102 N PHE A 67 -9.148 -0.282 0.727 1.00 0.00 N ATOM 1103 CA PHE A 67 -7.778 0.047 0.332 1.00 0.00 C ATOM 1104 C PHE A 67 -6.804 -0.267 1.466 1.00 0.00 C ATOM 1105 O PHE A 67 -5.728 -0.821 1.234 1.00 0.00 O ATOM 1106 CB PHE A 67 -7.675 1.527 -0.057 1.00 0.00 C ATOM 1107 CG PHE A 67 -6.313 1.941 -0.550 1.00 0.00 C ATOM 1108 CD1 PHE A 67 -5.348 2.398 0.335 1.00 0.00 C ATOM 1109 CD2 PHE A 67 -6.004 1.885 -1.900 1.00 0.00 C ATOM 1110 CE1 PHE A 67 -4.101 2.787 -0.117 1.00 0.00 C ATOM 1111 CE2 PHE A 67 -4.759 2.274 -2.357 1.00 0.00 C ATOM 1112 CZ PHE A 67 -3.807 2.726 -1.465 1.00 0.00 C ATOM 0 H PHE A 67 -9.766 0.525 0.814 1.00 0.00 H new ATOM 0 HA PHE A 67 -7.514 -0.562 -0.533 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -8.410 1.739 -0.833 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -7.938 2.138 0.807 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -5.573 2.451 1.390 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -6.745 1.533 -2.603 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -3.357 3.138 0.583 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -4.531 2.224 -3.411 1.00 0.00 H new ATOM 0 HZ PHE A 67 -2.834 3.031 -1.821 1.00 0.00 H new ATOM 1122 N ALA A 68 -7.198 0.084 2.693 1.00 0.00 N ATOM 1123 CA ALA A 68 -6.369 -0.166 3.870 1.00 0.00 C ATOM 1124 C ALA A 68 -6.181 -1.665 4.110 1.00 0.00 C ATOM 1125 O ALA A 68 -5.154 -2.087 4.641 1.00 0.00 O ATOM 1126 CB ALA A 68 -6.976 0.494 5.102 1.00 0.00 C ATOM 0 H ALA A 68 -8.087 0.542 2.895 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.388 0.271 3.684 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -6.345 0.297 5.969 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -7.046 1.570 4.941 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -7.972 0.088 5.279 1.00 0.00 H new ATOM 1132 N ALA A 69 -7.175 -2.465 3.713 1.00 0.00 N ATOM 1133 CA ALA A 69 -7.104 -3.913 3.883 1.00 0.00 C ATOM 1134 C ALA A 69 -6.103 -4.528 2.905 1.00 0.00 C ATOM 1135 O ALA A 69 -5.348 -5.432 3.270 1.00 0.00 O ATOM 1136 CB ALA A 69 -8.480 -4.546 3.707 1.00 0.00 C ATOM 0 H ALA A 69 -8.034 -2.133 3.274 1.00 0.00 H new ATOM 0 HA ALA A 69 -6.759 -4.116 4.897 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -8.403 -5.625 3.838 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.166 -4.138 4.450 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.856 -4.328 2.707 1.00 0.00 H new ATOM 1142 N ASP A 70 -6.102 -4.031 1.664 1.00 0.00 N ATOM 1143 CA ASP A 70 -5.191 -4.533 0.634 1.00 0.00 C ATOM 1144 C ASP A 70 -3.733 -4.242 0.990 1.00 0.00 C ATOM 1145 O ASP A 70 -2.860 -5.090 0.789 1.00 0.00 O ATOM 1146 CB ASP A 70 -5.527 -3.913 -0.727 1.00 0.00 C ATOM 1147 CG ASP A 70 -6.323 -4.854 -1.611 1.00 0.00 C ATOM 1148 OD1 ASP A 70 -7.456 -5.214 -1.227 1.00 0.00 O ATOM 1149 OD2 ASP A 70 -5.815 -5.229 -2.688 1.00 0.00 O ATOM 0 H ASP A 70 -6.721 -3.283 1.350 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.320 -5.614 0.578 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -6.095 -2.995 -0.575 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -4.603 -3.636 -1.235 1.00 0.00 H new ATOM 1154 N VAL A 71 -3.474 -3.045 1.526 1.00 0.00 N ATOM 1155 CA VAL A 71 -2.118 -2.658 1.914 1.00 0.00 C ATOM 1156 C VAL A 71 -1.661 -3.429 3.157 1.00 0.00 C ATOM 1157 O VAL A 71 -0.500 -3.830 3.253 1.00 0.00 O ATOM 1158 CB VAL A 71 -2.002 -1.132 2.165 1.00 0.00 C ATOM 1159 CG1 VAL A 71 -2.904 -0.683 3.305 1.00 0.00 C ATOM 1160 CG2 VAL A 71 -0.555 -0.742 2.438 1.00 0.00 C ATOM 0 H VAL A 71 -4.183 -2.332 1.700 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.465 -2.913 1.080 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.335 -0.622 1.261 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -2.796 0.392 3.452 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.941 -0.914 3.061 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -2.622 -1.205 4.219 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.494 0.332 2.612 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.195 -1.273 3.319 1.00 0.00 H new ATOM 0 HG23 VAL A 71 0.061 -1.006 1.579 1.00 0.00 H new ATOM 1170 N ARG A 72 -2.586 -3.648 4.099 1.00 0.00 N ATOM 1171 CA ARG A 72 -2.280 -4.385 5.326 1.00 0.00 C ATOM 1172 C ARG A 72 -1.890 -5.832 5.017 1.00 0.00 C ATOM 1173 O ARG A 72 -1.013 -6.397 5.675 1.00 0.00 O ATOM 1174 CB ARG A 72 -3.483 -4.365 6.277 1.00 0.00 C ATOM 1175 CG ARG A 72 -3.300 -3.450 7.480 1.00 0.00 C ATOM 1176 CD ARG A 72 -3.356 -4.227 8.788 1.00 0.00 C ATOM 1177 NE ARG A 72 -4.113 -3.516 9.819 1.00 0.00 N ATOM 1178 CZ ARG A 72 -5.446 -3.469 9.871 1.00 0.00 C ATOM 1179 NH1 ARG A 72 -6.179 -4.088 8.951 1.00 0.00 N ATOM 1180 NH2 ARG A 72 -6.050 -2.799 10.847 1.00 0.00 N ATOM 0 H ARG A 72 -3.551 -3.325 4.033 1.00 0.00 H new ATOM 0 HA ARG A 72 -1.434 -3.894 5.807 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -4.367 -4.049 5.723 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -3.673 -5.379 6.629 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -2.343 -2.934 7.403 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -4.076 -2.685 7.477 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -3.812 -5.201 8.611 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -2.342 -4.410 9.144 1.00 0.00 H new ATOM 0 HE ARG A 72 -3.589 -3.025 10.544 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -5.723 -4.604 8.198 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -7.197 -4.047 8.998 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -5.495 -2.321 11.557 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -7.069 -2.763 10.887 1.00 0.00 H new ATOM 1194 N LEU A 73 -2.543 -6.425 4.009 1.00 0.00 N ATOM 1195 CA LEU A 73 -2.262 -7.806 3.613 1.00 0.00 C ATOM 1196 C LEU A 73 -0.807 -7.959 3.175 1.00 0.00 C ATOM 1197 O LEU A 73 -0.138 -8.922 3.554 1.00 0.00 O ATOM 1198 CB LEU A 73 -3.201 -8.242 2.482 1.00 0.00 C ATOM 1199 CG LEU A 73 -3.187 -9.741 2.164 1.00 0.00 C ATOM 1200 CD1 LEU A 73 -4.010 -10.517 3.183 1.00 0.00 C ATOM 1201 CD2 LEU A 73 -3.709 -9.990 0.757 1.00 0.00 C ATOM 0 H LEU A 73 -3.268 -5.969 3.455 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.432 -8.447 4.478 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -4.219 -7.952 2.744 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -2.935 -7.693 1.579 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.157 -10.093 2.219 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.986 -11.579 2.938 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.593 -10.365 4.179 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -5.041 -10.163 3.163 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.693 -11.059 0.547 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -4.731 -9.620 0.677 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.078 -9.469 0.037 1.00 0.00 H new ATOM 1213 N MET A 74 -0.319 -6.995 2.390 1.00 0.00 N ATOM 1214 CA MET A 74 1.063 -7.012 1.916 1.00 0.00 C ATOM 1215 C MET A 74 2.034 -7.013 3.097 1.00 0.00 C ATOM 1216 O MET A 74 3.029 -7.740 3.092 1.00 0.00 O ATOM 1217 CB MET A 74 1.330 -5.801 1.015 1.00 0.00 C ATOM 1218 CG MET A 74 2.713 -5.796 0.381 1.00 0.00 C ATOM 1219 SD MET A 74 3.244 -4.145 -0.115 1.00 0.00 S ATOM 1220 CE MET A 74 2.005 -3.739 -1.343 1.00 0.00 C ATOM 0 H MET A 74 -0.863 -6.193 2.070 1.00 0.00 H new ATOM 0 HA MET A 74 1.218 -7.923 1.337 1.00 0.00 H new ATOM 0 HB2 MET A 74 0.579 -5.776 0.225 1.00 0.00 H new ATOM 0 HB3 MET A 74 1.207 -4.890 1.601 1.00 0.00 H new ATOM 0 HG2 MET A 74 3.434 -6.208 1.087 1.00 0.00 H new ATOM 0 HG3 MET A 74 2.711 -6.450 -0.491 1.00 0.00 H new ATOM 0 HE1 MET A 74 2.473 -3.678 -2.326 1.00 0.00 H new ATOM 0 HE2 MET A 74 1.237 -4.512 -1.354 1.00 0.00 H new ATOM 0 HE3 MET A 74 1.550 -2.779 -1.097 1.00 0.00 H new ATOM 1230 N PHE A 75 1.731 -6.198 4.111 1.00 0.00 N ATOM 1231 CA PHE A 75 2.569 -6.108 5.304 1.00 0.00 C ATOM 1232 C PHE A 75 2.542 -7.418 6.094 1.00 0.00 C ATOM 1233 O PHE A 75 3.586 -7.900 6.536 1.00 0.00 O ATOM 1234 CB PHE A 75 2.115 -4.946 6.195 1.00 0.00 C ATOM 1235 CG PHE A 75 2.338 -3.587 5.585 1.00 0.00 C ATOM 1236 CD1 PHE A 75 3.530 -3.285 4.944 1.00 0.00 C ATOM 1237 CD2 PHE A 75 1.355 -2.612 5.655 1.00 0.00 C ATOM 1238 CE1 PHE A 75 3.736 -2.038 4.386 1.00 0.00 C ATOM 1239 CE2 PHE A 75 1.556 -1.364 5.099 1.00 0.00 C ATOM 1240 CZ PHE A 75 2.748 -1.077 4.463 1.00 0.00 C ATOM 0 H PHE A 75 0.911 -5.592 4.127 1.00 0.00 H new ATOM 0 HA PHE A 75 3.593 -5.924 4.980 1.00 0.00 H new ATOM 0 HB2 PHE A 75 1.054 -5.064 6.417 1.00 0.00 H new ATOM 0 HB3 PHE A 75 2.648 -4.999 7.145 1.00 0.00 H new ATOM 0 HD1 PHE A 75 4.306 -4.033 4.880 1.00 0.00 H new ATOM 0 HD2 PHE A 75 0.421 -2.831 6.150 1.00 0.00 H new ATOM 0 HE1 PHE A 75 4.669 -1.815 3.890 1.00 0.00 H new ATOM 0 HE2 PHE A 75 0.782 -0.613 5.161 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.907 -0.102 4.027 1.00 0.00 H new ATOM 1250 N SER A 76 1.347 -7.994 6.263 1.00 0.00 N ATOM 1251 CA SER A 76 1.199 -9.254 6.996 1.00 0.00 C ATOM 1252 C SER A 76 1.874 -10.405 6.254 1.00 0.00 C ATOM 1253 O SER A 76 2.565 -11.221 6.866 1.00 0.00 O ATOM 1254 CB SER A 76 -0.280 -9.582 7.224 1.00 0.00 C ATOM 1255 OG SER A 76 -0.477 -10.196 8.488 1.00 0.00 O ATOM 0 H SER A 76 0.473 -7.610 5.904 1.00 0.00 H new ATOM 0 HA SER A 76 1.687 -9.129 7.963 1.00 0.00 H new ATOM 0 HB2 SER A 76 -0.872 -8.669 7.163 1.00 0.00 H new ATOM 0 HB3 SER A 76 -0.635 -10.245 6.435 1.00 0.00 H new ATOM 0 HG SER A 76 -1.429 -10.394 8.611 1.00 0.00 H new ATOM 1261 N ASN A 77 1.672 -10.468 4.935 1.00 0.00 N ATOM 1262 CA ASN A 77 2.269 -11.524 4.120 1.00 0.00 C ATOM 1263 C ASN A 77 3.791 -11.475 4.202 1.00 0.00 C ATOM 1264 O ASN A 77 4.440 -12.505 4.392 1.00 0.00 O ATOM 1265 CB ASN A 77 1.817 -11.401 2.661 1.00 0.00 C ATOM 1266 CG ASN A 77 0.402 -11.910 2.444 1.00 0.00 C ATOM 1267 OD1 ASN A 77 -0.195 -12.524 3.329 1.00 0.00 O ATOM 1268 ND2 ASN A 77 -0.145 -11.658 1.259 1.00 0.00 N ATOM 0 H ASN A 77 1.102 -9.803 4.413 1.00 0.00 H new ATOM 0 HA ASN A 77 1.931 -12.483 4.511 1.00 0.00 H new ATOM 0 HB2 ASN A 77 1.875 -10.357 2.353 1.00 0.00 H new ATOM 0 HB3 ASN A 77 2.502 -11.960 2.024 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -1.093 -11.977 1.057 1.00 0.00 H new ATOM 0 HD22 ASN A 77 0.383 -11.146 0.552 1.00 0.00 H new ATOM 1275 N CYS A 78 4.354 -10.272 4.069 1.00 0.00 N ATOM 1276 CA CYS A 78 5.803 -10.093 4.140 1.00 0.00 C ATOM 1277 C CYS A 78 6.327 -10.412 5.540 1.00 0.00 C ATOM 1278 O CYS A 78 7.371 -11.050 5.686 1.00 0.00 O ATOM 1279 CB CYS A 78 6.188 -8.662 3.752 1.00 0.00 C ATOM 1280 SG CYS A 78 6.277 -8.377 1.968 1.00 0.00 S ATOM 0 H CYS A 78 3.830 -9.411 3.912 1.00 0.00 H new ATOM 0 HA CYS A 78 6.260 -10.786 3.434 1.00 0.00 H new ATOM 0 HB2 CYS A 78 5.462 -7.973 4.183 1.00 0.00 H new ATOM 0 HB3 CYS A 78 7.155 -8.425 4.195 1.00 0.00 H new ATOM 0 HG CYS A 78 6.607 -7.140 1.742 1.00 0.00 H new ATOM 1286 N TYR A 79 5.595 -9.968 6.567 1.00 0.00 N ATOM 1287 CA TYR A 79 5.986 -10.210 7.957 1.00 0.00 C ATOM 1288 C TYR A 79 6.080 -11.707 8.249 1.00 0.00 C ATOM 1289 O TYR A 79 7.071 -12.174 8.813 1.00 0.00 O ATOM 1290 CB TYR A 79 4.989 -9.553 8.919 1.00 0.00 C ATOM 1291 CG TYR A 79 5.549 -8.354 9.654 1.00 0.00 C ATOM 1292 CD1 TYR A 79 5.524 -7.090 9.080 1.00 0.00 C ATOM 1293 CD2 TYR A 79 6.098 -8.488 10.923 1.00 0.00 C ATOM 1294 CE1 TYR A 79 6.030 -5.992 9.750 1.00 0.00 C ATOM 1295 CE2 TYR A 79 6.607 -7.396 11.599 1.00 0.00 C ATOM 1296 CZ TYR A 79 6.570 -6.151 11.008 1.00 0.00 C ATOM 1297 OH TYR A 79 7.074 -5.060 11.679 1.00 0.00 O ATOM 0 H TYR A 79 4.729 -9.439 6.461 1.00 0.00 H new ATOM 0 HA TYR A 79 6.970 -9.766 8.108 1.00 0.00 H new ATOM 0 HB2 TYR A 79 4.107 -9.244 8.358 1.00 0.00 H new ATOM 0 HB3 TYR A 79 4.660 -10.293 9.648 1.00 0.00 H new ATOM 0 HD1 TYR A 79 5.102 -6.963 8.094 1.00 0.00 H new ATOM 0 HD2 TYR A 79 6.127 -9.462 11.389 1.00 0.00 H new ATOM 0 HE1 TYR A 79 6.002 -5.015 9.290 1.00 0.00 H new ATOM 0 HE2 TYR A 79 7.031 -7.517 12.585 1.00 0.00 H new ATOM 0 HH TYR A 79 7.416 -5.343 12.553 1.00 0.00 H new ATOM 1307 N LYS A 80 5.045 -12.457 7.859 1.00 0.00 N ATOM 1308 CA LYS A 80 5.020 -13.903 8.081 1.00 0.00 C ATOM 1309 C LYS A 80 6.051 -14.610 7.196 1.00 0.00 C ATOM 1310 O LYS A 80 6.645 -15.609 7.605 1.00 0.00 O ATOM 1311 CB LYS A 80 3.621 -14.473 7.809 1.00 0.00 C ATOM 1312 CG LYS A 80 2.506 -13.789 8.593 1.00 0.00 C ATOM 1313 CD LYS A 80 2.495 -14.213 10.056 1.00 0.00 C ATOM 1314 CE LYS A 80 1.077 -14.445 10.566 1.00 0.00 C ATOM 1315 NZ LYS A 80 0.220 -13.230 10.438 1.00 0.00 N ATOM 0 H LYS A 80 4.218 -12.088 7.390 1.00 0.00 H new ATOM 0 HA LYS A 80 5.275 -14.082 9.126 1.00 0.00 H new ATOM 0 HB2 LYS A 80 3.407 -14.388 6.744 1.00 0.00 H new ATOM 0 HB3 LYS A 80 3.620 -15.536 8.050 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.629 -12.708 8.530 1.00 0.00 H new ATOM 0 HG3 LYS A 80 1.544 -14.028 8.139 1.00 0.00 H new ATOM 0 HD2 LYS A 80 3.078 -15.126 10.174 1.00 0.00 H new ATOM 0 HD3 LYS A 80 2.978 -13.446 10.661 1.00 0.00 H new ATOM 0 HE2 LYS A 80 0.624 -15.266 10.010 1.00 0.00 H new ATOM 0 HE3 LYS A 80 1.115 -14.751 11.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -0.712 -13.417 10.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 0.670 -12.434 10.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 0.104 -12.991 9.432 1.00 0.00 H new ATOM 1329 N TYR A 81 6.257 -14.085 5.984 1.00 0.00 N ATOM 1330 CA TYR A 81 7.214 -14.664 5.040 1.00 0.00 C ATOM 1331 C TYR A 81 8.626 -14.691 5.627 1.00 0.00 C ATOM 1332 O TYR A 81 9.235 -15.756 5.739 1.00 0.00 O ATOM 1333 CB TYR A 81 7.206 -13.876 3.725 1.00 0.00 C ATOM 1334 CG TYR A 81 7.885 -14.591 2.576 1.00 0.00 C ATOM 1335 CD1 TYR A 81 7.286 -15.685 1.961 1.00 0.00 C ATOM 1336 CD2 TYR A 81 9.122 -14.170 2.104 1.00 0.00 C ATOM 1337 CE1 TYR A 81 7.902 -16.338 0.910 1.00 0.00 C ATOM 1338 CE2 TYR A 81 9.744 -14.818 1.054 1.00 0.00 C ATOM 1339 CZ TYR A 81 9.130 -15.901 0.461 1.00 0.00 C ATOM 1340 OH TYR A 81 9.746 -16.547 -0.586 1.00 0.00 O ATOM 0 H TYR A 81 5.772 -13.259 5.635 1.00 0.00 H new ATOM 0 HA TYR A 81 6.910 -15.692 4.843 1.00 0.00 H new ATOM 0 HB2 TYR A 81 6.174 -13.662 3.448 1.00 0.00 H new ATOM 0 HB3 TYR A 81 7.698 -12.917 3.885 1.00 0.00 H new ATOM 0 HD1 TYR A 81 6.324 -16.030 2.310 1.00 0.00 H new ATOM 0 HD2 TYR A 81 9.606 -13.322 2.566 1.00 0.00 H new ATOM 0 HE1 TYR A 81 7.424 -17.186 0.443 1.00 0.00 H new ATOM 0 HE2 TYR A 81 10.706 -14.478 0.700 1.00 0.00 H new ATOM 0 HH TYR A 81 9.574 -17.510 -0.523 1.00 0.00 H new ATOM 1350 N ASN A 82 9.139 -13.519 6.003 1.00 0.00 N ATOM 1351 CA ASN A 82 10.477 -13.419 6.580 1.00 0.00 C ATOM 1352 C ASN A 82 10.478 -12.486 7.794 1.00 0.00 C ATOM 1353 O ASN A 82 10.090 -11.320 7.694 1.00 0.00 O ATOM 1354 CB ASN A 82 11.491 -12.939 5.529 1.00 0.00 C ATOM 1355 CG ASN A 82 11.085 -11.639 4.851 1.00 0.00 C ATOM 1356 OD1 ASN A 82 9.939 -11.472 4.434 1.00 0.00 O ATOM 1357 ND2 ASN A 82 12.029 -10.712 4.726 1.00 0.00 N ATOM 0 H ASN A 82 8.649 -12.629 5.918 1.00 0.00 H new ATOM 0 HA ASN A 82 10.775 -14.413 6.913 1.00 0.00 H new ATOM 0 HB2 ASN A 82 12.462 -12.804 6.006 1.00 0.00 H new ATOM 0 HB3 ASN A 82 11.613 -13.713 4.771 1.00 0.00 H new ATOM 0 HD21 ASN A 82 11.815 -9.824 4.271 1.00 0.00 H new ATOM 0 HD22 ASN A 82 12.967 -10.888 5.085 1.00 0.00 H new ATOM 1364 N PRO A 83 10.910 -12.998 8.966 1.00 0.00 N ATOM 1365 CA PRO A 83 10.956 -12.217 10.211 1.00 0.00 C ATOM 1366 C PRO A 83 11.742 -10.913 10.059 1.00 0.00 C ATOM 1367 O PRO A 83 12.594 -10.792 9.176 1.00 0.00 O ATOM 1368 CB PRO A 83 11.656 -13.156 11.198 1.00 0.00 C ATOM 1369 CG PRO A 83 11.410 -14.524 10.662 1.00 0.00 C ATOM 1370 CD PRO A 83 11.377 -14.382 9.167 1.00 0.00 C ATOM 0 HA PRO A 83 9.961 -11.908 10.531 1.00 0.00 H new ATOM 0 HB2 PRO A 83 12.723 -12.941 11.259 1.00 0.00 H new ATOM 0 HB3 PRO A 83 11.250 -13.046 12.204 1.00 0.00 H new ATOM 0 HG2 PRO A 83 12.197 -15.212 10.971 1.00 0.00 H new ATOM 0 HG3 PRO A 83 10.469 -14.927 11.037 1.00 0.00 H new ATOM 0 HD2 PRO A 83 12.361 -14.542 8.726 1.00 0.00 H new ATOM 0 HD3 PRO A 83 10.701 -15.105 8.709 1.00 0.00 H new ATOM 1378 N PRO A 84 11.459 -9.912 10.917 1.00 0.00 N ATOM 1379 CA PRO A 84 12.135 -8.610 10.866 1.00 0.00 C ATOM 1380 C PRO A 84 13.618 -8.699 11.219 1.00 0.00 C ATOM 1381 O PRO A 84 13.984 -8.898 12.379 1.00 0.00 O ATOM 1382 CB PRO A 84 11.394 -7.757 11.900 1.00 0.00 C ATOM 1383 CG PRO A 84 10.151 -8.514 12.238 1.00 0.00 C ATOM 1384 CD PRO A 84 10.458 -9.963 11.993 1.00 0.00 C ATOM 0 HA PRO A 84 12.106 -8.194 9.859 1.00 0.00 H new ATOM 0 HB2 PRO A 84 12.007 -7.597 12.787 1.00 0.00 H new ATOM 0 HB3 PRO A 84 11.155 -6.773 11.496 1.00 0.00 H new ATOM 0 HG2 PRO A 84 9.865 -8.348 13.277 1.00 0.00 H new ATOM 0 HG3 PRO A 84 9.315 -8.184 11.621 1.00 0.00 H new ATOM 0 HD2 PRO A 84 10.850 -10.449 12.886 1.00 0.00 H new ATOM 0 HD3 PRO A 84 9.570 -10.518 11.692 1.00 0.00 H new ATOM 1392 N ASP A 85 14.459 -8.538 10.201 1.00 0.00 N ATOM 1393 CA ASP A 85 15.917 -8.584 10.368 1.00 0.00 C ATOM 1394 C ASP A 85 16.647 -8.374 9.029 1.00 0.00 C ATOM 1395 O ASP A 85 17.714 -8.946 8.807 1.00 0.00 O ATOM 1396 CB ASP A 85 16.345 -9.925 10.989 1.00 0.00 C ATOM 1397 CG ASP A 85 17.045 -9.758 12.327 1.00 0.00 C ATOM 1398 OD1 ASP A 85 17.845 -8.807 12.469 1.00 0.00 O ATOM 1399 OD2 ASP A 85 16.796 -10.581 13.232 1.00 0.00 O ATOM 0 H ASP A 85 14.156 -8.373 9.241 1.00 0.00 H new ATOM 0 HA ASP A 85 16.195 -7.771 11.038 1.00 0.00 H new ATOM 0 HB2 ASP A 85 15.466 -10.556 11.120 1.00 0.00 H new ATOM 0 HB3 ASP A 85 17.010 -10.444 10.299 1.00 0.00 H new ATOM 1404 N HIS A 86 16.072 -7.550 8.143 1.00 0.00 N ATOM 1405 CA HIS A 86 16.675 -7.273 6.833 1.00 0.00 C ATOM 1406 C HIS A 86 16.145 -5.960 6.251 1.00 0.00 C ATOM 1407 O HIS A 86 15.312 -5.288 6.865 1.00 0.00 O ATOM 1408 CB HIS A 86 16.371 -8.411 5.850 1.00 0.00 C ATOM 1409 CG HIS A 86 17.265 -9.606 5.985 1.00 0.00 C ATOM 1410 ND1 HIS A 86 18.622 -9.519 6.221 1.00 0.00 N ATOM 1411 CD2 HIS A 86 16.985 -10.927 5.896 1.00 0.00 C ATOM 1412 CE1 HIS A 86 19.136 -10.735 6.268 1.00 0.00 C ATOM 1413 NE2 HIS A 86 18.164 -11.606 6.075 1.00 0.00 N ATOM 0 H HIS A 86 15.191 -7.064 8.310 1.00 0.00 H new ATOM 0 HA HIS A 86 17.752 -7.191 6.978 1.00 0.00 H new ATOM 0 HB2 HIS A 86 15.338 -8.729 5.990 1.00 0.00 H new ATOM 0 HB3 HIS A 86 16.451 -8.027 4.833 1.00 0.00 H new ATOM 0 HD2 HIS A 86 16.014 -11.365 5.717 1.00 0.00 H new ATOM 0 HE1 HIS A 86 20.175 -10.975 6.436 1.00 0.00 H new ATOM 0 HE2 HIS A 86 18.272 -12.620 6.061 1.00 0.00 H new ATOM 1422 N ASP A 87 16.619 -5.609 5.052 1.00 0.00 N ATOM 1423 CA ASP A 87 16.178 -4.387 4.376 1.00 0.00 C ATOM 1424 C ASP A 87 14.727 -4.514 3.900 1.00 0.00 C ATOM 1425 O ASP A 87 13.994 -3.525 3.859 1.00 0.00 O ATOM 1426 CB ASP A 87 17.094 -4.074 3.187 1.00 0.00 C ATOM 1427 CG ASP A 87 17.270 -2.584 2.968 1.00 0.00 C ATOM 1428 OD1 ASP A 87 17.898 -1.927 3.825 1.00 0.00 O ATOM 1429 OD2 ASP A 87 16.778 -2.073 1.940 1.00 0.00 O ATOM 0 H ASP A 87 17.307 -6.153 4.531 1.00 0.00 H new ATOM 0 HA ASP A 87 16.234 -3.568 5.093 1.00 0.00 H new ATOM 0 HB2 ASP A 87 18.069 -4.532 3.353 1.00 0.00 H new ATOM 0 HB3 ASP A 87 16.680 -4.524 2.285 1.00 0.00 H new ATOM 1434 N VAL A 88 14.320 -5.739 3.545 1.00 0.00 N ATOM 1435 CA VAL A 88 12.956 -5.999 3.075 1.00 0.00 C ATOM 1436 C VAL A 88 11.919 -5.577 4.118 1.00 0.00 C ATOM 1437 O VAL A 88 11.078 -4.718 3.849 1.00 0.00 O ATOM 1438 CB VAL A 88 12.742 -7.492 2.728 1.00 0.00 C ATOM 1439 CG1 VAL A 88 11.350 -7.714 2.149 1.00 0.00 C ATOM 1440 CG2 VAL A 88 13.812 -7.983 1.761 1.00 0.00 C ATOM 0 H VAL A 88 14.917 -6.565 3.575 1.00 0.00 H new ATOM 0 HA VAL A 88 12.823 -5.405 2.171 1.00 0.00 H new ATOM 0 HB VAL A 88 12.827 -8.070 3.648 1.00 0.00 H new ATOM 0 HG11 VAL A 88 11.219 -8.770 1.911 1.00 0.00 H new ATOM 0 HG12 VAL A 88 10.600 -7.410 2.879 1.00 0.00 H new ATOM 0 HG13 VAL A 88 11.234 -7.121 1.242 1.00 0.00 H new ATOM 0 HG21 VAL A 88 13.641 -9.035 1.532 1.00 0.00 H new ATOM 0 HG22 VAL A 88 13.767 -7.399 0.841 1.00 0.00 H new ATOM 0 HG23 VAL A 88 14.795 -7.867 2.217 1.00 0.00 H new ATOM 1450 N VAL A 89 11.987 -6.181 5.308 1.00 0.00 N ATOM 1451 CA VAL A 89 11.052 -5.858 6.388 1.00 0.00 C ATOM 1452 C VAL A 89 11.174 -4.390 6.798 1.00 0.00 C ATOM 1453 O VAL A 89 10.175 -3.748 7.131 1.00 0.00 O ATOM 1454 CB VAL A 89 11.267 -6.757 7.626 1.00 0.00 C ATOM 1455 CG1 VAL A 89 10.156 -6.539 8.645 1.00 0.00 C ATOM 1456 CG2 VAL A 89 11.341 -8.223 7.216 1.00 0.00 C ATOM 0 H VAL A 89 12.677 -6.893 5.547 1.00 0.00 H new ATOM 0 HA VAL A 89 10.050 -6.042 6.000 1.00 0.00 H new ATOM 0 HB VAL A 89 12.215 -6.483 8.090 1.00 0.00 H new ATOM 0 HG11 VAL A 89 10.324 -7.181 9.510 1.00 0.00 H new ATOM 0 HG12 VAL A 89 10.153 -5.496 8.962 1.00 0.00 H new ATOM 0 HG13 VAL A 89 9.195 -6.784 8.193 1.00 0.00 H new ATOM 0 HG21 VAL A 89 11.493 -8.841 8.101 1.00 0.00 H new ATOM 0 HG22 VAL A 89 10.411 -8.511 6.727 1.00 0.00 H new ATOM 0 HG23 VAL A 89 12.173 -8.366 6.526 1.00 0.00 H new ATOM 1466 N ALA A 90 12.401 -3.861 6.756 1.00 0.00 N ATOM 1467 CA ALA A 90 12.649 -2.463 7.108 1.00 0.00 C ATOM 1468 C ALA A 90 11.825 -1.524 6.228 1.00 0.00 C ATOM 1469 O ALA A 90 11.274 -0.534 6.712 1.00 0.00 O ATOM 1470 CB ALA A 90 14.132 -2.136 6.985 1.00 0.00 C ATOM 0 H ALA A 90 13.235 -4.380 6.482 1.00 0.00 H new ATOM 0 HA ALA A 90 12.343 -2.317 8.144 1.00 0.00 H new ATOM 0 HB1 ALA A 90 14.298 -1.092 7.251 1.00 0.00 H new ATOM 0 HB2 ALA A 90 14.703 -2.776 7.657 1.00 0.00 H new ATOM 0 HB3 ALA A 90 14.458 -2.305 5.959 1.00 0.00 H new ATOM 1476 N MET A 91 11.742 -1.847 4.935 1.00 0.00 N ATOM 1477 CA MET A 91 10.980 -1.034 3.988 1.00 0.00 C ATOM 1478 C MET A 91 9.485 -1.064 4.313 1.00 0.00 C ATOM 1479 O MET A 91 8.795 -0.053 4.169 1.00 0.00 O ATOM 1480 CB MET A 91 11.214 -1.520 2.553 1.00 0.00 C ATOM 1481 CG MET A 91 12.622 -1.255 2.038 1.00 0.00 C ATOM 1482 SD MET A 91 12.668 -0.991 0.255 1.00 0.00 S ATOM 1483 CE MET A 91 14.339 -0.379 0.040 1.00 0.00 C ATOM 0 H MET A 91 12.192 -2.664 4.522 1.00 0.00 H new ATOM 0 HA MET A 91 11.330 -0.005 4.076 1.00 0.00 H new ATOM 0 HB2 MET A 91 11.015 -2.591 2.505 1.00 0.00 H new ATOM 0 HB3 MET A 91 10.497 -1.032 1.892 1.00 0.00 H new ATOM 0 HG2 MET A 91 13.031 -0.379 2.542 1.00 0.00 H new ATOM 0 HG3 MET A 91 13.263 -2.098 2.294 1.00 0.00 H new ATOM 0 HE1 MET A 91 14.477 -0.054 -0.991 1.00 0.00 H new ATOM 0 HE2 MET A 91 14.508 0.463 0.712 1.00 0.00 H new ATOM 0 HE3 MET A 91 15.050 -1.173 0.268 1.00 0.00 H new ATOM 1493 N ALA A 92 8.993 -2.227 4.753 1.00 0.00 N ATOM 1494 CA ALA A 92 7.580 -2.390 5.101 1.00 0.00 C ATOM 1495 C ALA A 92 7.225 -1.631 6.381 1.00 0.00 C ATOM 1496 O ALA A 92 6.245 -0.884 6.411 1.00 0.00 O ATOM 1497 CB ALA A 92 7.234 -3.868 5.247 1.00 0.00 C ATOM 0 H ALA A 92 9.554 -3.070 4.876 1.00 0.00 H new ATOM 0 HA ALA A 92 6.989 -1.967 4.289 1.00 0.00 H new ATOM 0 HB1 ALA A 92 6.180 -3.971 5.506 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.428 -4.382 4.306 1.00 0.00 H new ATOM 0 HB3 ALA A 92 7.846 -4.309 6.034 1.00 0.00 H new ATOM 1503 N ARG A 93 8.025 -1.825 7.436 1.00 0.00 N ATOM 1504 CA ARG A 93 7.789 -1.153 8.716 1.00 0.00 C ATOM 1505 C ARG A 93 7.810 0.368 8.553 1.00 0.00 C ATOM 1506 O ARG A 93 7.047 1.079 9.210 1.00 0.00 O ATOM 1507 CB ARG A 93 8.834 -1.586 9.753 1.00 0.00 C ATOM 1508 CG ARG A 93 8.271 -1.741 11.161 1.00 0.00 C ATOM 1509 CD ARG A 93 9.243 -1.229 12.218 1.00 0.00 C ATOM 1510 NE ARG A 93 8.558 -0.517 13.300 1.00 0.00 N ATOM 1511 CZ ARG A 93 9.085 -0.297 14.510 1.00 0.00 C ATOM 1512 NH1 ARG A 93 10.312 -0.722 14.805 1.00 0.00 N ATOM 1513 NH2 ARG A 93 8.382 0.358 15.429 1.00 0.00 N ATOM 0 H ARG A 93 8.839 -2.440 7.427 1.00 0.00 H new ATOM 0 HA ARG A 93 6.800 -1.446 9.068 1.00 0.00 H new ATOM 0 HB2 ARG A 93 9.273 -2.533 9.440 1.00 0.00 H new ATOM 0 HB3 ARG A 93 9.640 -0.852 9.772 1.00 0.00 H new ATOM 0 HG2 ARG A 93 7.330 -1.197 11.238 1.00 0.00 H new ATOM 0 HG3 ARG A 93 8.048 -2.791 11.350 1.00 0.00 H new ATOM 0 HD2 ARG A 93 9.801 -2.068 12.633 1.00 0.00 H new ATOM 0 HD3 ARG A 93 9.969 -0.564 11.750 1.00 0.00 H new ATOM 0 HE ARG A 93 7.618 -0.166 13.119 1.00 0.00 H new ATOM 0 HH11 ARG A 93 10.861 -1.221 14.105 1.00 0.00 H new ATOM 0 HH12 ARG A 93 10.703 -0.548 15.731 1.00 0.00 H new ATOM 0 HH21 ARG A 93 7.443 0.692 15.211 1.00 0.00 H new ATOM 0 HH22 ARG A 93 8.782 0.527 16.352 1.00 0.00 H new ATOM 1527 N LYS A 94 8.684 0.859 7.668 1.00 0.00 N ATOM 1528 CA LYS A 94 8.799 2.295 7.412 1.00 0.00 C ATOM 1529 C LYS A 94 7.525 2.844 6.766 1.00 0.00 C ATOM 1530 O LYS A 94 7.141 3.987 7.018 1.00 0.00 O ATOM 1531 CB LYS A 94 10.008 2.589 6.514 1.00 0.00 C ATOM 1532 CG LYS A 94 11.282 2.895 7.290 1.00 0.00 C ATOM 1533 CD LYS A 94 12.372 3.454 6.385 1.00 0.00 C ATOM 1534 CE LYS A 94 13.237 4.475 7.112 1.00 0.00 C ATOM 1535 NZ LYS A 94 14.691 4.250 6.874 1.00 0.00 N ATOM 0 H LYS A 94 9.321 0.282 7.118 1.00 0.00 H new ATOM 0 HA LYS A 94 8.941 2.792 8.372 1.00 0.00 H new ATOM 0 HB2 LYS A 94 10.185 1.732 5.864 1.00 0.00 H new ATOM 0 HB3 LYS A 94 9.773 3.435 5.868 1.00 0.00 H new ATOM 0 HG2 LYS A 94 11.063 3.612 8.081 1.00 0.00 H new ATOM 0 HG3 LYS A 94 11.641 1.986 7.773 1.00 0.00 H new ATOM 0 HD2 LYS A 94 12.998 2.639 6.022 1.00 0.00 H new ATOM 0 HD3 LYS A 94 11.916 3.919 5.511 1.00 0.00 H new ATOM 0 HE2 LYS A 94 12.967 5.478 6.782 1.00 0.00 H new ATOM 0 HE3 LYS A 94 13.033 4.426 8.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 15.242 4.967 7.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 14.956 3.303 7.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 14.891 4.323 5.856 1.00 0.00 H new ATOM 1549 N LEU A 95 6.873 2.024 5.935 1.00 0.00 N ATOM 1550 CA LEU A 95 5.642 2.433 5.258 1.00 0.00 C ATOM 1551 C LEU A 95 4.432 2.299 6.184 1.00 0.00 C ATOM 1552 O LEU A 95 3.559 3.169 6.198 1.00 0.00 O ATOM 1553 CB LEU A 95 5.426 1.603 3.988 1.00 0.00 C ATOM 1554 CG LEU A 95 6.493 1.785 2.904 1.00 0.00 C ATOM 1555 CD1 LEU A 95 6.504 0.592 1.960 1.00 0.00 C ATOM 1556 CD2 LEU A 95 6.259 3.076 2.131 1.00 0.00 C ATOM 0 H LEU A 95 7.178 1.075 5.717 1.00 0.00 H new ATOM 0 HA LEU A 95 5.747 3.482 4.982 1.00 0.00 H new ATOM 0 HB2 LEU A 95 5.386 0.549 4.264 1.00 0.00 H new ATOM 0 HB3 LEU A 95 4.454 1.859 3.566 1.00 0.00 H new ATOM 0 HG LEU A 95 7.467 1.849 3.390 1.00 0.00 H new ATOM 0 HD11 LEU A 95 7.268 0.739 1.197 1.00 0.00 H new ATOM 0 HD12 LEU A 95 6.723 -0.315 2.523 1.00 0.00 H new ATOM 0 HD13 LEU A 95 5.529 0.496 1.483 1.00 0.00 H new ATOM 0 HD21 LEU A 95 7.028 3.186 1.366 1.00 0.00 H new ATOM 0 HD22 LEU A 95 5.278 3.044 1.658 1.00 0.00 H new ATOM 0 HD23 LEU A 95 6.304 3.923 2.815 1.00 0.00 H new ATOM 1568 N GLN A 96 4.389 1.208 6.957 1.00 0.00 N ATOM 1569 CA GLN A 96 3.286 0.965 7.889 1.00 0.00 C ATOM 1570 C GLN A 96 3.109 2.146 8.844 1.00 0.00 C ATOM 1571 O GLN A 96 1.992 2.626 9.044 1.00 0.00 O ATOM 1572 CB GLN A 96 3.535 -0.321 8.687 1.00 0.00 C ATOM 1573 CG GLN A 96 2.291 -1.181 8.869 1.00 0.00 C ATOM 1574 CD GLN A 96 2.608 -2.584 9.360 1.00 0.00 C ATOM 1575 OE1 GLN A 96 3.470 -3.291 8.636 1.00 0.00 O flip ATOM 1576 NE2 GLN A 96 2.080 -3.029 10.378 1.00 0.00 N flip ATOM 0 H GLN A 96 5.105 0.481 6.955 1.00 0.00 H new ATOM 0 HA GLN A 96 2.371 0.851 7.308 1.00 0.00 H new ATOM 0 HB2 GLN A 96 4.301 -0.909 8.181 1.00 0.00 H new ATOM 0 HB3 GLN A 96 3.931 -0.058 9.668 1.00 0.00 H new ATOM 0 HG2 GLN A 96 1.621 -0.696 9.579 1.00 0.00 H new ATOM 0 HG3 GLN A 96 1.758 -1.245 7.920 1.00 0.00 H new ATOM 0 HE21 GLN A 96 1.423 -2.453 10.905 1.00 0.00 H new ATOM 0 HE22 GLN A 96 2.299 -3.974 10.695 1.00 0.00 H new ATOM 1585 N ASP A 97 4.221 2.614 9.421 1.00 0.00 N ATOM 1586 CA ASP A 97 4.195 3.746 10.350 1.00 0.00 C ATOM 1587 C ASP A 97 3.550 4.978 9.708 1.00 0.00 C ATOM 1588 O ASP A 97 2.759 5.674 10.349 1.00 0.00 O ATOM 1589 CB ASP A 97 5.619 4.087 10.803 1.00 0.00 C ATOM 1590 CG ASP A 97 5.723 4.322 12.300 1.00 0.00 C ATOM 1591 OD1 ASP A 97 4.810 4.957 12.871 1.00 0.00 O ATOM 1592 OD2 ASP A 97 6.723 3.874 12.900 1.00 0.00 O ATOM 0 H ASP A 97 5.150 2.225 9.260 1.00 0.00 H new ATOM 0 HA ASP A 97 3.596 3.457 11.214 1.00 0.00 H new ATOM 0 HB2 ASP A 97 6.289 3.275 10.520 1.00 0.00 H new ATOM 0 HB3 ASP A 97 5.959 4.979 10.276 1.00 0.00 H new ATOM 1597 N VAL A 98 3.886 5.237 8.440 1.00 0.00 N ATOM 1598 CA VAL A 98 3.330 6.383 7.718 1.00 0.00 C ATOM 1599 C VAL A 98 1.837 6.191 7.459 1.00 0.00 C ATOM 1600 O VAL A 98 1.038 7.102 7.692 1.00 0.00 O ATOM 1601 CB VAL A 98 4.050 6.625 6.370 1.00 0.00 C ATOM 1602 CG1 VAL A 98 3.543 7.904 5.713 1.00 0.00 C ATOM 1603 CG2 VAL A 98 5.560 6.686 6.563 1.00 0.00 C ATOM 0 H VAL A 98 4.537 4.671 7.896 1.00 0.00 H new ATOM 0 HA VAL A 98 3.484 7.255 8.353 1.00 0.00 H new ATOM 0 HB VAL A 98 3.826 5.786 5.712 1.00 0.00 H new ATOM 0 HG11 VAL A 98 4.061 8.057 4.766 1.00 0.00 H new ATOM 0 HG12 VAL A 98 2.472 7.819 5.531 1.00 0.00 H new ATOM 0 HG13 VAL A 98 3.733 8.751 6.372 1.00 0.00 H new ATOM 0 HG21 VAL A 98 6.043 6.857 5.601 1.00 0.00 H new ATOM 0 HG22 VAL A 98 5.807 7.501 7.243 1.00 0.00 H new ATOM 0 HG23 VAL A 98 5.911 5.744 6.983 1.00 0.00 H new ATOM 1613 N PHE A 99 1.464 4.998 6.984 1.00 0.00 N ATOM 1614 CA PHE A 99 0.063 4.688 6.705 1.00 0.00 C ATOM 1615 C PHE A 99 -0.788 4.835 7.964 1.00 0.00 C ATOM 1616 O PHE A 99 -1.906 5.346 7.903 1.00 0.00 O ATOM 1617 CB PHE A 99 -0.079 3.269 6.143 1.00 0.00 C ATOM 1618 CG PHE A 99 -1.411 3.008 5.493 1.00 0.00 C ATOM 1619 CD1 PHE A 99 -1.648 3.403 4.185 1.00 0.00 C ATOM 1620 CD2 PHE A 99 -2.425 2.368 6.190 1.00 0.00 C ATOM 1621 CE1 PHE A 99 -2.870 3.163 3.585 1.00 0.00 C ATOM 1622 CE2 PHE A 99 -3.649 2.127 5.594 1.00 0.00 C ATOM 1623 CZ PHE A 99 -3.872 2.525 4.290 1.00 0.00 C ATOM 0 H PHE A 99 2.112 4.236 6.786 1.00 0.00 H new ATOM 0 HA PHE A 99 -0.292 5.398 5.958 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.712 3.096 5.413 1.00 0.00 H new ATOM 0 HB3 PHE A 99 0.069 2.551 6.950 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -0.869 3.904 3.629 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -2.257 2.054 7.210 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -3.041 3.474 2.565 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -4.430 1.628 6.148 1.00 0.00 H new ATOM 0 HZ PHE A 99 -4.828 2.338 3.823 1.00 0.00 H new ATOM 1633 N GLU A 100 -0.250 4.394 9.105 1.00 0.00 N ATOM 1634 CA GLU A 100 -0.966 4.489 10.375 1.00 0.00 C ATOM 1635 C GLU A 100 -1.282 5.945 10.716 1.00 0.00 C ATOM 1636 O GLU A 100 -2.380 6.251 11.186 1.00 0.00 O ATOM 1637 CB GLU A 100 -0.150 3.850 11.503 1.00 0.00 C ATOM 1638 CG GLU A 100 -0.367 2.350 11.630 1.00 0.00 C ATOM 1639 CD GLU A 100 0.743 1.662 12.400 1.00 0.00 C ATOM 1640 OE1 GLU A 100 1.769 1.313 11.777 1.00 0.00 O ATOM 1641 OE2 GLU A 100 0.586 1.471 13.624 1.00 0.00 O ATOM 0 H GLU A 100 0.675 3.970 9.173 1.00 0.00 H new ATOM 0 HA GLU A 100 -1.906 3.947 10.271 1.00 0.00 H new ATOM 0 HB2 GLU A 100 0.909 4.043 11.330 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -0.411 4.329 12.447 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -1.318 2.166 12.129 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -0.439 1.912 10.635 1.00 0.00 H new ATOM 1648 N PHE A 101 -0.320 6.840 10.469 1.00 0.00 N ATOM 1649 CA PHE A 101 -0.510 8.264 10.748 1.00 0.00 C ATOM 1650 C PHE A 101 -1.554 8.874 9.811 1.00 0.00 C ATOM 1651 O PHE A 101 -2.362 9.704 10.234 1.00 0.00 O ATOM 1652 CB PHE A 101 0.815 9.025 10.615 1.00 0.00 C ATOM 1653 CG PHE A 101 1.359 9.517 11.926 1.00 0.00 C ATOM 1654 CD1 PHE A 101 0.803 10.622 12.552 1.00 0.00 C ATOM 1655 CD2 PHE A 101 2.426 8.874 12.531 1.00 0.00 C ATOM 1656 CE1 PHE A 101 1.302 11.075 13.758 1.00 0.00 C ATOM 1657 CE2 PHE A 101 2.930 9.323 13.736 1.00 0.00 C ATOM 1658 CZ PHE A 101 2.367 10.425 14.350 1.00 0.00 C ATOM 0 H PHE A 101 0.592 6.604 10.079 1.00 0.00 H new ATOM 0 HA PHE A 101 -0.869 8.354 11.773 1.00 0.00 H new ATOM 0 HB2 PHE A 101 1.553 8.374 10.146 1.00 0.00 H new ATOM 0 HB3 PHE A 101 0.671 9.875 9.949 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -0.029 11.134 12.092 1.00 0.00 H new ATOM 0 HD2 PHE A 101 2.869 8.012 12.055 1.00 0.00 H new ATOM 0 HE1 PHE A 101 0.860 11.936 14.237 1.00 0.00 H new ATOM 0 HE2 PHE A 101 3.763 8.813 14.197 1.00 0.00 H new ATOM 0 HZ PHE A 101 2.759 10.778 15.292 1.00 0.00 H new ATOM 1668 N ARG A 102 -1.538 8.456 8.541 1.00 0.00 N ATOM 1669 CA ARG A 102 -2.493 8.964 7.554 1.00 0.00 C ATOM 1670 C ARG A 102 -3.882 8.360 7.772 1.00 0.00 C ATOM 1671 O ARG A 102 -4.893 9.030 7.554 1.00 0.00 O ATOM 1672 CB ARG A 102 -2.010 8.671 6.128 1.00 0.00 C ATOM 1673 CG ARG A 102 -1.124 9.764 5.545 1.00 0.00 C ATOM 1674 CD ARG A 102 -1.917 11.028 5.236 1.00 0.00 C ATOM 1675 NE ARG A 102 -1.048 12.192 5.050 1.00 0.00 N ATOM 1676 CZ ARG A 102 -0.508 12.893 6.052 1.00 0.00 C ATOM 1677 NH1 ARG A 102 -0.730 12.543 7.316 1.00 0.00 N ATOM 1678 NH2 ARG A 102 0.262 13.944 5.789 1.00 0.00 N ATOM 0 H ARG A 102 -0.877 7.771 8.175 1.00 0.00 H new ATOM 0 HA ARG A 102 -2.562 10.044 7.685 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -1.460 7.730 6.126 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -2.877 8.535 5.481 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -0.325 9.999 6.248 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -0.650 9.400 4.634 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -2.511 10.872 4.335 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -2.616 11.224 6.049 1.00 0.00 H new ATOM 0 HE ARG A 102 -0.842 12.486 4.095 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -1.316 11.735 7.526 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -0.314 13.083 8.075 1.00 0.00 H new ATOM 0 HH21 ARG A 102 0.441 14.216 4.822 1.00 0.00 H new ATOM 0 HH22 ARG A 102 0.674 14.479 6.554 1.00 0.00 H new ATOM 1692 N TYR A 103 -3.926 7.095 8.207 1.00 0.00 N ATOM 1693 CA TYR A 103 -5.194 6.407 8.459 1.00 0.00 C ATOM 1694 C TYR A 103 -6.009 7.133 9.530 1.00 0.00 C ATOM 1695 O TYR A 103 -7.232 7.225 9.428 1.00 0.00 O ATOM 1696 CB TYR A 103 -4.946 4.954 8.884 1.00 0.00 C ATOM 1697 CG TYR A 103 -6.096 4.013 8.575 1.00 0.00 C ATOM 1698 CD1 TYR A 103 -6.724 4.029 7.334 1.00 0.00 C ATOM 1699 CD2 TYR A 103 -6.547 3.105 9.525 1.00 0.00 C ATOM 1700 CE1 TYR A 103 -7.767 3.167 7.051 1.00 0.00 C ATOM 1701 CE2 TYR A 103 -7.590 2.240 9.249 1.00 0.00 C ATOM 1702 CZ TYR A 103 -8.196 2.275 8.012 1.00 0.00 C ATOM 1703 OH TYR A 103 -9.231 1.410 7.734 1.00 0.00 O ATOM 0 H TYR A 103 -3.098 6.529 8.391 1.00 0.00 H new ATOM 0 HA TYR A 103 -5.764 6.410 7.530 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -4.048 4.589 8.385 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -4.748 4.929 9.956 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -6.391 4.726 6.579 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -6.075 3.074 10.496 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -8.244 3.192 6.082 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -7.928 1.540 9.999 1.00 0.00 H new ATOM 0 HH TYR A 103 -9.408 0.849 8.518 1.00 0.00 H new ATOM 1713 N ALA A 104 -5.321 7.659 10.551 1.00 0.00 N ATOM 1714 CA ALA A 104 -5.987 8.390 11.631 1.00 0.00 C ATOM 1715 C ALA A 104 -6.629 9.679 11.114 1.00 0.00 C ATOM 1716 O ALA A 104 -7.576 10.188 11.714 1.00 0.00 O ATOM 1717 CB ALA A 104 -5.005 8.706 12.754 1.00 0.00 C ATOM 0 H ALA A 104 -4.308 7.591 10.650 1.00 0.00 H new ATOM 0 HA ALA A 104 -6.777 7.750 12.025 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -5.521 9.249 13.546 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -4.600 7.777 13.155 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -4.191 9.318 12.364 1.00 0.00 H new ATOM 1723 N LYS A 105 -6.109 10.202 9.999 1.00 0.00 N ATOM 1724 CA LYS A 105 -6.632 11.431 9.402 1.00 0.00 C ATOM 1725 C LYS A 105 -7.815 11.150 8.463 1.00 0.00 C ATOM 1726 O LYS A 105 -8.366 12.079 7.871 1.00 0.00 O ATOM 1727 CB LYS A 105 -5.526 12.170 8.637 1.00 0.00 C ATOM 1728 CG LYS A 105 -4.327 12.557 9.495 1.00 0.00 C ATOM 1729 CD LYS A 105 -4.625 13.776 10.359 1.00 0.00 C ATOM 1730 CE LYS A 105 -3.349 14.514 10.738 1.00 0.00 C ATOM 1731 NZ LYS A 105 -3.620 15.699 11.603 1.00 0.00 N ATOM 0 H LYS A 105 -5.325 9.791 9.492 1.00 0.00 H new ATOM 0 HA LYS A 105 -6.990 12.060 10.217 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -5.183 11.540 7.816 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -5.947 13.072 8.192 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -4.049 11.718 10.133 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -3.472 12.766 8.853 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -5.291 14.451 9.821 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -5.149 13.464 11.263 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -2.678 13.832 11.259 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -2.835 14.837 9.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -2.723 16.171 11.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -4.240 16.364 11.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -4.087 15.390 12.479 1.00 0.00 H new ATOM 1745 N MET A 106 -8.200 9.872 8.325 1.00 0.00 N ATOM 1746 CA MET A 106 -9.316 9.486 7.452 1.00 0.00 C ATOM 1747 C MET A 106 -10.557 10.350 7.700 1.00 0.00 C ATOM 1748 O MET A 106 -11.131 10.894 6.756 1.00 0.00 O ATOM 1749 CB MET A 106 -9.670 8.007 7.646 1.00 0.00 C ATOM 1750 CG MET A 106 -9.037 7.089 6.612 1.00 0.00 C ATOM 1751 SD MET A 106 -9.836 7.210 5.000 1.00 0.00 S ATOM 1752 CE MET A 106 -8.677 8.253 4.120 1.00 0.00 C ATOM 0 H MET A 106 -7.755 9.091 8.806 1.00 0.00 H new ATOM 0 HA MET A 106 -8.989 9.647 6.425 1.00 0.00 H new ATOM 0 HB2 MET A 106 -9.353 7.694 8.641 1.00 0.00 H new ATOM 0 HB3 MET A 106 -10.753 7.893 7.606 1.00 0.00 H new ATOM 0 HG2 MET A 106 -7.980 7.336 6.510 1.00 0.00 H new ATOM 0 HG3 MET A 106 -9.091 6.059 6.964 1.00 0.00 H new ATOM 0 HE1 MET A 106 -9.181 9.164 3.796 1.00 0.00 H new ATOM 0 HE2 MET A 106 -7.848 8.511 4.778 1.00 0.00 H new ATOM 0 HE3 MET A 106 -8.296 7.720 3.249 1.00 0.00 H new ATOM 1762 N PRO A 107 -10.993 10.485 8.973 1.00 0.00 N ATOM 1763 CA PRO A 107 -12.173 11.287 9.331 1.00 0.00 C ATOM 1764 C PRO A 107 -12.147 12.686 8.716 1.00 0.00 C ATOM 1765 O PRO A 107 -11.223 13.464 8.963 1.00 0.00 O ATOM 1766 CB PRO A 107 -12.085 11.381 10.854 1.00 0.00 C ATOM 1767 CG PRO A 107 -11.358 10.149 11.263 1.00 0.00 C ATOM 1768 CD PRO A 107 -10.374 9.864 10.162 1.00 0.00 C ATOM 0 HA PRO A 107 -13.093 10.834 8.963 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -11.551 12.279 11.166 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -13.076 11.426 11.307 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -10.847 10.295 12.215 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -12.047 9.315 11.396 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -9.396 10.296 10.377 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -10.226 8.793 10.024 1.00 0.00 H new ATOM 1776 N ASP A 108 -13.167 12.997 7.916 1.00 0.00 N ATOM 1777 CA ASP A 108 -13.264 14.302 7.261 1.00 0.00 C ATOM 1778 C ASP A 108 -13.739 15.381 8.236 1.00 0.00 C ATOM 1779 O ASP A 108 -13.141 16.454 8.319 1.00 0.00 O ATOM 1780 CB ASP A 108 -14.204 14.233 6.050 1.00 0.00 C ATOM 1781 CG ASP A 108 -15.575 13.671 6.390 1.00 0.00 C ATOM 1782 OD1 ASP A 108 -15.700 12.433 6.502 1.00 0.00 O ATOM 1783 OD2 ASP A 108 -16.525 14.469 6.540 1.00 0.00 O ATOM 0 H ASP A 108 -13.938 12.363 7.706 1.00 0.00 H new ATOM 0 HA ASP A 108 -12.266 14.572 6.916 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -14.321 15.233 5.631 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -13.746 13.615 5.277 1.00 0.00 H new TER 1788 ASP A 108