USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=24 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 47 MET CE :methyl -117:sc= -0.033 (180deg=-0.348) USER MOD Set 1.2: A 55 LYS NZ :NH3+ -146:sc= 1.11 (180deg=-0.573) USER MOD Set 2.1: A 2 GLN : amide:sc= 0.75 K(o=0.48,f=-2.1) USER MOD Set 2.2: A 106 MET CE :methyl -137:sc= -0.272 (180deg=-0.971) USER MOD Single : A 1 GLU N :NH3+ 171:sc= -0.0191 (180deg=-0.15) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 CYS SG : rot -116:sc= 0.277 USER MOD Single : A 7 ASN :FLIP amide:sc= -0.737 F(o=-1.3!,f=-0.74) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HD1:sc= -1.26 X(o=-1.3,f=-1.5) USER MOD Single : A 21 TYR OH : rot 30:sc= 0 USER MOD Single : A 26 TYR OH : rot 60:sc= -1.22 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= -0.183 X(o=-0.18,f=-0.016) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= -0.0874 X(o=-0.087,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= -0.0192 X(o=-0.019,f=0) USER MOD Single : A 50 SER OG : rot 61:sc= 0.0859 USER MOD Single : A 51 THR OG1 : rot 115:sc= 1.14 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl 141:sc= -0.356 (180deg=-3.12!) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 TYR OH : rot 39:sc= -3.42! USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.095) USER MOD Single : A 74 MET CE :methyl 144:sc= -1.13 (180deg=-2.02) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -2.19 K(o=-2.2,f=-5.1!) USER MOD Single : A 78 CYS SG : rot 180:sc= -0.694 USER MOD Single : A 79 TYR OH : rot 180:sc= -0.926 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 HIS : no HE2:sc= -0.859 K(o=-0.86,f=-2.8!) USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -142:sc= 0.418 (180deg=-0.0476) USER MOD Single : A 96 GLN :FLIP amide:sc= -0.375 F(o=-0.91,f=-0.38) 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 ----------------------------------------------------------------- ATOM 1 N GLU A 1 -16.278 10.975 0.692 1.00 0.00 N ATOM 2 CA GLU A 1 -15.102 11.703 0.127 1.00 0.00 C ATOM 3 C GLU A 1 -13.776 11.187 0.698 1.00 0.00 C ATOM 4 O GLU A 1 -12.803 11.935 0.809 1.00 0.00 O ATOM 5 CB GLU A 1 -15.267 13.195 0.428 1.00 0.00 C ATOM 6 CG GLU A 1 -15.139 13.548 1.904 1.00 0.00 C ATOM 7 CD GLU A 1 -14.095 14.619 2.160 1.00 0.00 C ATOM 8 OE1 GLU A 1 -14.284 15.758 1.684 1.00 0.00 O ATOM 9 OE2 GLU A 1 -13.087 14.316 2.833 1.00 0.00 O ATOM 0 H1 GLU A 1 -17.155 11.452 0.399 1.00 0.00 H new ATOM 0 H2 GLU A 1 -16.282 9.996 0.341 1.00 0.00 H new ATOM 0 H3 GLU A 1 -16.217 10.970 1.730 1.00 0.00 H new ATOM 0 HA GLU A 1 -15.068 11.532 -0.949 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -14.519 13.753 -0.135 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -16.244 13.521 0.070 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -16.104 13.890 2.277 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -14.880 12.651 2.467 1.00 0.00 H new ATOM 18 N GLN A 2 -13.744 9.905 1.050 1.00 0.00 N ATOM 19 CA GLN A 2 -12.544 9.283 1.601 1.00 0.00 C ATOM 20 C GLN A 2 -11.626 8.768 0.487 1.00 0.00 C ATOM 21 O GLN A 2 -10.410 8.685 0.668 1.00 0.00 O ATOM 22 CB GLN A 2 -12.926 8.132 2.537 1.00 0.00 C ATOM 23 CG GLN A 2 -13.299 8.578 3.944 1.00 0.00 C ATOM 24 CD GLN A 2 -12.108 9.084 4.740 1.00 0.00 C ATOM 25 OE1 GLN A 2 -10.971 8.673 4.510 1.00 0.00 O ATOM 26 NE2 GLN A 2 -12.366 9.980 5.687 1.00 0.00 N ATOM 0 H GLN A 2 -14.540 9.273 0.963 1.00 0.00 H new ATOM 0 HA GLN A 2 -12.002 10.041 2.167 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -13.766 7.588 2.104 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -12.091 7.434 2.597 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -14.050 9.366 3.883 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -13.756 7.743 4.475 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -13.324 10.294 5.845 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -11.606 10.354 6.256 1.00 0.00 H new ATOM 35 N LEU A 3 -12.215 8.423 -0.663 1.00 0.00 N ATOM 36 CA LEU A 3 -11.450 7.916 -1.804 1.00 0.00 C ATOM 37 C LEU A 3 -10.356 8.902 -2.220 1.00 0.00 C ATOM 38 O LEU A 3 -9.229 8.499 -2.512 1.00 0.00 O ATOM 39 CB LEU A 3 -12.382 7.643 -2.992 1.00 0.00 C ATOM 40 CG LEU A 3 -12.008 6.430 -3.853 1.00 0.00 C ATOM 41 CD1 LEU A 3 -13.258 5.756 -4.399 1.00 0.00 C ATOM 42 CD2 LEU A 3 -11.084 6.843 -4.991 1.00 0.00 C ATOM 0 H LEU A 3 -13.220 8.486 -0.827 1.00 0.00 H new ATOM 0 HA LEU A 3 -10.974 6.984 -1.498 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -13.394 7.501 -2.613 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -12.401 8.528 -3.628 1.00 0.00 H new ATOM 0 HG LEU A 3 -11.478 5.715 -3.224 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -12.972 4.898 -5.007 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -13.883 5.422 -3.571 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -13.816 6.465 -5.011 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -10.831 5.968 -5.590 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -11.586 7.579 -5.619 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -10.173 7.278 -4.580 1.00 0.00 H new ATOM 54 N LYS A 4 -10.693 10.195 -2.241 1.00 0.00 N ATOM 55 CA LYS A 4 -9.734 11.236 -2.618 1.00 0.00 C ATOM 56 C LYS A 4 -8.536 11.248 -1.669 1.00 0.00 C ATOM 57 O LYS A 4 -7.392 11.380 -2.107 1.00 0.00 O ATOM 58 CB LYS A 4 -10.406 12.615 -2.634 1.00 0.00 C ATOM 59 CG LYS A 4 -10.842 13.107 -1.260 1.00 0.00 C ATOM 60 CD LYS A 4 -11.904 14.188 -1.363 1.00 0.00 C ATOM 61 CE LYS A 4 -11.285 15.576 -1.393 1.00 0.00 C ATOM 62 NZ LYS A 4 -11.990 16.481 -2.344 1.00 0.00 N ATOM 0 H LYS A 4 -11.621 10.545 -2.002 1.00 0.00 H new ATOM 0 HA LYS A 4 -9.376 11.009 -3.622 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -9.715 13.339 -3.066 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -11.277 12.576 -3.288 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -11.230 12.270 -0.679 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -9.978 13.496 -0.721 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -12.496 14.033 -2.265 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -12.586 14.111 -0.517 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -11.314 16.008 -0.393 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -10.235 15.499 -1.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -11.536 17.417 -2.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -11.941 16.083 -3.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -12.986 16.576 -2.059 1.00 0.00 H new ATOM 76 N HIS A 5 -8.807 11.106 -0.371 1.00 0.00 N ATOM 77 CA HIS A 5 -7.752 11.095 0.640 1.00 0.00 C ATOM 78 C HIS A 5 -6.788 9.935 0.404 1.00 0.00 C ATOM 79 O HIS A 5 -5.571 10.100 0.498 1.00 0.00 O ATOM 80 CB HIS A 5 -8.357 10.990 2.042 1.00 0.00 C ATOM 81 CG HIS A 5 -8.561 12.315 2.707 1.00 0.00 C ATOM 82 ND1 HIS A 5 -7.772 12.765 3.744 1.00 0.00 N ATOM 83 CD2 HIS A 5 -9.472 13.292 2.479 1.00 0.00 C ATOM 84 CE1 HIS A 5 -8.188 13.958 4.127 1.00 0.00 C ATOM 85 NE2 HIS A 5 -9.218 14.301 3.375 1.00 0.00 N ATOM 0 H HIS A 5 -9.749 10.997 0.004 1.00 0.00 H new ATOM 0 HA HIS A 5 -7.198 12.031 0.561 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -9.315 10.474 1.978 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -7.706 10.377 2.665 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -10.252 13.279 1.732 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -7.759 14.552 4.920 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -9.740 15.174 3.448 1.00 0.00 H new ATOM 94 N CYS A 6 -7.344 8.763 0.091 1.00 0.00 N ATOM 95 CA CYS A 6 -6.539 7.572 -0.168 1.00 0.00 C ATOM 96 C CYS A 6 -5.654 7.770 -1.401 1.00 0.00 C ATOM 97 O CYS A 6 -4.501 7.336 -1.422 1.00 0.00 O ATOM 98 CB CYS A 6 -7.443 6.351 -0.365 1.00 0.00 C ATOM 99 SG CYS A 6 -6.790 4.824 0.349 1.00 0.00 S ATOM 0 H CYS A 6 -8.350 8.615 0.011 1.00 0.00 H new ATOM 0 HA CYS A 6 -5.896 7.403 0.696 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -8.417 6.559 0.078 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -7.604 6.200 -1.432 1.00 0.00 H new ATOM 0 HG CYS A 6 -6.558 3.966 -0.600 1.00 0.00 H new ATOM 105 N ASN A 7 -6.203 8.432 -2.423 1.00 0.00 N ATOM 106 CA ASN A 7 -5.467 8.694 -3.660 1.00 0.00 C ATOM 107 C ASN A 7 -4.203 9.505 -3.388 1.00 0.00 C ATOM 108 O ASN A 7 -3.141 9.214 -3.938 1.00 0.00 O ATOM 109 CB ASN A 7 -6.350 9.438 -4.664 1.00 0.00 C ATOM 110 CG ASN A 7 -7.019 8.503 -5.651 1.00 0.00 C ATOM 111 OD1 ASN A 7 -8.031 7.780 -5.186 1.00 0.00 O flip ATOM 112 ND2 ASN A 7 -6.631 8.431 -6.817 1.00 0.00 N flip ATOM 0 H ASN A 7 -7.156 8.796 -2.417 1.00 0.00 H new ATOM 0 HA ASN A 7 -5.178 7.731 -4.082 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -7.113 10.000 -4.126 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -5.745 10.163 -5.208 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -5.849 9.006 -7.131 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -7.092 7.797 -7.469 1.00 0.00 H new ATOM 119 N VAL A 8 -4.327 10.524 -2.536 1.00 0.00 N ATOM 120 CA VAL A 8 -3.193 11.380 -2.190 1.00 0.00 C ATOM 121 C VAL A 8 -2.047 10.556 -1.601 1.00 0.00 C ATOM 122 O VAL A 8 -0.874 10.838 -1.855 1.00 0.00 O ATOM 123 CB VAL A 8 -3.593 12.484 -1.186 1.00 0.00 C ATOM 124 CG1 VAL A 8 -2.455 13.478 -0.996 1.00 0.00 C ATOM 125 CG2 VAL A 8 -4.859 13.201 -1.642 1.00 0.00 C ATOM 0 H VAL A 8 -5.201 10.776 -2.074 1.00 0.00 H new ATOM 0 HA VAL A 8 -2.863 11.854 -3.114 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.798 12.009 -0.227 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.758 14.247 -0.285 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -1.577 12.957 -0.615 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.214 13.943 -1.952 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.120 13.974 -0.919 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -4.687 13.659 -2.616 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.676 12.484 -1.718 1.00 0.00 H new ATOM 135 N ILE A 9 -2.396 9.532 -0.821 1.00 0.00 N ATOM 136 CA ILE A 9 -1.400 8.663 -0.203 1.00 0.00 C ATOM 137 C ILE A 9 -0.594 7.919 -1.267 1.00 0.00 C ATOM 138 O ILE A 9 0.637 7.912 -1.231 1.00 0.00 O ATOM 139 CB ILE A 9 -2.050 7.636 0.751 1.00 0.00 C ATOM 140 CG1 ILE A 9 -2.964 8.335 1.764 1.00 0.00 C ATOM 141 CG2 ILE A 9 -0.977 6.828 1.468 1.00 0.00 C ATOM 142 CD1 ILE A 9 -3.795 7.376 2.588 1.00 0.00 C ATOM 0 H ILE A 9 -3.362 9.286 -0.604 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.736 9.304 0.376 1.00 0.00 H new ATOM 0 HB ILE A 9 -2.661 6.955 0.158 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -2.354 8.943 2.433 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.629 9.016 1.232 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.449 6.108 2.137 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -0.370 6.297 0.734 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -0.342 7.499 2.047 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -4.418 7.939 3.283 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -4.431 6.786 1.928 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -3.136 6.712 3.147 1.00 0.00 H new ATOM 154 N LEU A 10 -1.296 7.297 -2.217 1.00 0.00 N ATOM 155 CA LEU A 10 -0.639 6.554 -3.293 1.00 0.00 C ATOM 156 C LEU A 10 0.205 7.486 -4.162 1.00 0.00 C ATOM 157 O LEU A 10 1.333 7.150 -4.528 1.00 0.00 O ATOM 158 CB LEU A 10 -1.675 5.825 -4.159 1.00 0.00 C ATOM 159 CG LEU A 10 -1.244 4.449 -4.682 1.00 0.00 C ATOM 160 CD1 LEU A 10 -0.860 3.529 -3.530 1.00 0.00 C ATOM 161 CD2 LEU A 10 -2.354 3.825 -5.518 1.00 0.00 C ATOM 0 H LEU A 10 -2.315 7.293 -2.263 1.00 0.00 H new ATOM 0 HA LEU A 10 0.019 5.815 -2.836 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.589 5.704 -3.578 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -1.921 6.458 -5.011 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.368 4.584 -5.316 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.558 2.559 -3.924 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.032 3.969 -2.974 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.715 3.400 -2.866 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.031 2.849 -5.881 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.248 3.707 -4.906 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -2.578 4.472 -6.366 1.00 0.00 H new ATOM 173 N LYS A 11 -0.346 8.660 -4.485 1.00 0.00 N ATOM 174 CA LYS A 11 0.353 9.643 -5.305 1.00 0.00 C ATOM 175 C LYS A 11 1.672 10.060 -4.655 1.00 0.00 C ATOM 176 O LYS A 11 2.685 10.204 -5.335 1.00 0.00 O ATOM 177 CB LYS A 11 -0.532 10.871 -5.525 1.00 0.00 C ATOM 178 CG LYS A 11 -1.793 10.587 -6.329 1.00 0.00 C ATOM 179 CD LYS A 11 -2.909 11.559 -5.975 1.00 0.00 C ATOM 180 CE LYS A 11 -4.046 11.501 -6.985 1.00 0.00 C ATOM 181 NZ LYS A 11 -3.952 12.591 -7.998 1.00 0.00 N ATOM 0 H LYS A 11 -1.278 8.950 -4.188 1.00 0.00 H new ATOM 0 HA LYS A 11 0.576 9.184 -6.268 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.816 11.281 -4.556 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.049 11.638 -6.037 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.571 10.658 -7.394 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.124 9.566 -6.140 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.292 11.327 -4.981 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.510 12.572 -5.934 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.033 10.535 -7.490 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.999 11.574 -6.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -4.746 12.514 -8.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -3.991 13.514 -7.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -3.054 12.507 -8.516 1.00 0.00 H new ATOM 195 N GLU A 12 1.651 10.247 -3.333 1.00 0.00 N ATOM 196 CA GLU A 12 2.850 10.642 -2.593 1.00 0.00 C ATOM 197 C GLU A 12 3.895 9.526 -2.611 1.00 0.00 C ATOM 198 O GLU A 12 5.078 9.777 -2.848 1.00 0.00 O ATOM 199 CB GLU A 12 2.488 10.996 -1.145 1.00 0.00 C ATOM 200 CG GLU A 12 3.667 11.502 -0.323 1.00 0.00 C ATOM 201 CD GLU A 12 3.759 13.018 -0.288 1.00 0.00 C ATOM 202 OE1 GLU A 12 2.744 13.669 0.043 1.00 0.00 O ATOM 203 OE2 GLU A 12 4.847 13.553 -0.589 1.00 0.00 O ATOM 0 H GLU A 12 0.819 10.131 -2.755 1.00 0.00 H new ATOM 0 HA GLU A 12 3.275 11.520 -3.080 1.00 0.00 H new ATOM 0 HB2 GLU A 12 1.708 11.757 -1.151 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.070 10.115 -0.659 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.581 11.125 0.696 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.591 11.097 -0.736 1.00 0.00 H new ATOM 210 N LEU A 13 3.449 8.293 -2.360 1.00 0.00 N ATOM 211 CA LEU A 13 4.342 7.134 -2.346 1.00 0.00 C ATOM 212 C LEU A 13 5.007 6.921 -3.709 1.00 0.00 C ATOM 213 O LEU A 13 6.160 6.491 -3.781 1.00 0.00 O ATOM 214 CB LEU A 13 3.573 5.871 -1.939 1.00 0.00 C ATOM 215 CG LEU A 13 2.947 5.908 -0.540 1.00 0.00 C ATOM 216 CD1 LEU A 13 1.825 4.885 -0.433 1.00 0.00 C ATOM 217 CD2 LEU A 13 4.005 5.660 0.528 1.00 0.00 C ATOM 0 H LEU A 13 2.473 8.072 -2.163 1.00 0.00 H new ATOM 0 HA LEU A 13 5.125 7.331 -1.613 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.782 5.696 -2.668 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.251 5.019 -1.993 1.00 0.00 H new ATOM 0 HG LEU A 13 2.525 6.900 -0.377 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.391 4.924 0.566 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.056 5.110 -1.172 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.224 3.887 -0.617 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.541 5.690 1.514 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.459 4.682 0.370 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.773 6.431 0.465 1.00 0.00 H new ATOM 229 N LEU A 14 4.276 7.220 -4.786 1.00 0.00 N ATOM 230 CA LEU A 14 4.801 7.056 -6.142 1.00 0.00 C ATOM 231 C LEU A 14 5.542 8.307 -6.622 1.00 0.00 C ATOM 232 O LEU A 14 6.497 8.207 -7.392 1.00 0.00 O ATOM 233 CB LEU A 14 3.666 6.725 -7.116 1.00 0.00 C ATOM 234 CG LEU A 14 3.453 5.233 -7.384 1.00 0.00 C ATOM 235 CD1 LEU A 14 2.642 4.597 -6.264 1.00 0.00 C ATOM 236 CD2 LEU A 14 2.769 5.025 -8.729 1.00 0.00 C ATOM 0 H LEU A 14 3.321 7.576 -4.745 1.00 0.00 H new ATOM 0 HA LEU A 14 5.513 6.231 -6.116 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.739 7.144 -6.725 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.865 7.224 -8.065 1.00 0.00 H new ATOM 0 HG LEU A 14 4.428 4.747 -7.416 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.502 3.537 -6.473 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.173 4.713 -5.319 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.670 5.085 -6.196 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.625 3.959 -8.903 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.801 5.526 -8.726 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.391 5.442 -9.522 1.00 0.00 H new ATOM 248 N SER A 15 5.091 9.482 -6.176 1.00 0.00 N ATOM 249 CA SER A 15 5.710 10.748 -6.574 1.00 0.00 C ATOM 250 C SER A 15 7.159 10.836 -6.093 1.00 0.00 C ATOM 251 O SER A 15 8.088 10.575 -6.858 1.00 0.00 O ATOM 252 CB SER A 15 4.895 11.932 -6.037 1.00 0.00 C ATOM 253 OG SER A 15 5.562 13.164 -6.258 1.00 0.00 O ATOM 0 H SER A 15 4.300 9.583 -5.540 1.00 0.00 H new ATOM 0 HA SER A 15 5.717 10.789 -7.663 1.00 0.00 H new ATOM 0 HB2 SER A 15 3.919 11.953 -6.522 1.00 0.00 H new ATOM 0 HB3 SER A 15 4.718 11.799 -4.970 1.00 0.00 H new ATOM 0 HG SER A 15 5.017 13.899 -5.907 1.00 0.00 H new ATOM 259 N LYS A 16 7.346 11.206 -4.824 1.00 0.00 N ATOM 260 CA LYS A 16 8.682 11.330 -4.247 1.00 0.00 C ATOM 261 C LYS A 16 8.637 11.168 -2.729 1.00 0.00 C ATOM 262 O LYS A 16 7.558 11.108 -2.138 1.00 0.00 O ATOM 263 CB LYS A 16 9.297 12.689 -4.604 1.00 0.00 C ATOM 264 CG LYS A 16 9.590 12.861 -6.087 1.00 0.00 C ATOM 265 CD LYS A 16 10.357 14.145 -6.364 1.00 0.00 C ATOM 266 CE LYS A 16 11.806 13.863 -6.738 1.00 0.00 C ATOM 267 NZ LYS A 16 12.763 14.679 -5.938 1.00 0.00 N ATOM 0 H LYS A 16 6.587 11.425 -4.178 1.00 0.00 H new ATOM 0 HA LYS A 16 9.302 10.537 -4.665 1.00 0.00 H new ATOM 0 HB2 LYS A 16 8.619 13.480 -4.283 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.223 12.817 -4.043 1.00 0.00 H new ATOM 0 HG2 LYS A 16 10.167 12.008 -6.445 1.00 0.00 H new ATOM 0 HG3 LYS A 16 8.653 12.869 -6.644 1.00 0.00 H new ATOM 0 HD2 LYS A 16 9.872 14.692 -7.172 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.326 14.785 -5.482 1.00 0.00 H new ATOM 0 HE2 LYS A 16 12.019 12.805 -6.587 1.00 0.00 H new ATOM 0 HE3 LYS A 16 11.953 14.070 -7.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 13.737 14.454 -6.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 12.578 15.689 -6.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 12.643 14.464 -4.928 1.00 0.00 H new ATOM 281 N LYS A 17 9.821 11.089 -2.110 1.00 0.00 N ATOM 282 CA LYS A 17 9.960 10.930 -0.658 1.00 0.00 C ATOM 283 C LYS A 17 9.817 9.466 -0.240 1.00 0.00 C ATOM 284 O LYS A 17 10.464 9.021 0.710 1.00 0.00 O ATOM 285 CB LYS A 17 8.947 11.794 0.102 1.00 0.00 C ATOM 286 CG LYS A 17 8.768 13.197 -0.464 1.00 0.00 C ATOM 287 CD LYS A 17 8.930 14.257 0.613 1.00 0.00 C ATOM 288 CE LYS A 17 10.358 14.776 0.675 1.00 0.00 C ATOM 289 NZ LYS A 17 10.454 16.058 1.429 1.00 0.00 N ATOM 0 H LYS A 17 10.712 11.134 -2.604 1.00 0.00 H new ATOM 0 HA LYS A 17 10.963 11.267 -0.397 1.00 0.00 H new ATOM 0 HB2 LYS A 17 7.982 11.288 0.099 1.00 0.00 H new ATOM 0 HB3 LYS A 17 9.263 11.872 1.142 1.00 0.00 H new ATOM 0 HG2 LYS A 17 9.498 13.367 -1.256 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.780 13.285 -0.917 1.00 0.00 H new ATOM 0 HD2 LYS A 17 8.249 15.085 0.415 1.00 0.00 H new ATOM 0 HD3 LYS A 17 8.651 13.839 1.581 1.00 0.00 H new ATOM 0 HE2 LYS A 17 10.995 14.029 1.148 1.00 0.00 H new ATOM 0 HE3 LYS A 17 10.735 14.922 -0.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 11.444 16.377 1.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 9.867 16.779 0.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 10.119 15.914 2.403 1.00 0.00 H new ATOM 303 N HIS A 18 8.974 8.723 -0.957 1.00 0.00 N ATOM 304 CA HIS A 18 8.750 7.309 -0.668 1.00 0.00 C ATOM 305 C HIS A 18 8.954 6.444 -1.917 1.00 0.00 C ATOM 306 O HIS A 18 8.487 5.304 -1.972 1.00 0.00 O ATOM 307 CB HIS A 18 7.340 7.106 -0.115 1.00 0.00 C ATOM 308 CG HIS A 18 7.259 7.251 1.372 1.00 0.00 C ATOM 309 ND1 HIS A 18 7.026 6.188 2.216 1.00 0.00 N ATOM 310 CD2 HIS A 18 7.385 8.340 2.166 1.00 0.00 C ATOM 311 CE1 HIS A 18 7.010 6.615 3.466 1.00 0.00 C ATOM 312 NE2 HIS A 18 7.226 7.917 3.462 1.00 0.00 N ATOM 0 H HIS A 18 8.434 9.080 -1.745 1.00 0.00 H new ATOM 0 HA HIS A 18 9.480 6.998 0.079 1.00 0.00 H new ATOM 0 HB2 HIS A 18 6.668 7.827 -0.580 1.00 0.00 H new ATOM 0 HB3 HIS A 18 6.987 6.114 -0.396 1.00 0.00 H new ATOM 0 HD2 HIS A 18 7.575 9.352 1.841 1.00 0.00 H new ATOM 0 HE1 HIS A 18 6.848 6.003 4.341 1.00 0.00 H new ATOM 0 HE2 HIS A 18 7.268 8.513 4.289 1.00 0.00 H new ATOM 321 N ALA A 19 9.662 6.985 -2.913 1.00 0.00 N ATOM 322 CA ALA A 19 9.929 6.253 -4.149 1.00 0.00 C ATOM 323 C ALA A 19 10.887 5.089 -3.907 1.00 0.00 C ATOM 324 O ALA A 19 10.774 4.046 -4.551 1.00 0.00 O ATOM 325 CB ALA A 19 10.492 7.184 -5.213 1.00 0.00 C ATOM 0 H ALA A 19 10.058 7.924 -2.885 1.00 0.00 H new ATOM 0 HA ALA A 19 8.982 5.846 -4.504 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.684 6.620 -6.126 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.773 7.976 -5.421 1.00 0.00 H new ATOM 0 HB3 ALA A 19 11.423 7.624 -4.856 1.00 0.00 H new ATOM 331 N ALA A 20 11.823 5.270 -2.969 1.00 0.00 N ATOM 332 CA ALA A 20 12.796 4.225 -2.638 1.00 0.00 C ATOM 333 C ALA A 20 12.101 2.934 -2.203 1.00 0.00 C ATOM 334 O ALA A 20 12.638 1.841 -2.386 1.00 0.00 O ATOM 335 CB ALA A 20 13.747 4.702 -1.548 1.00 0.00 C ATOM 0 H ALA A 20 11.927 6.128 -2.427 1.00 0.00 H new ATOM 0 HA ALA A 20 13.371 4.013 -3.539 1.00 0.00 H new ATOM 0 HB1 ALA A 20 14.461 3.912 -1.317 1.00 0.00 H new ATOM 0 HB2 ALA A 20 14.283 5.586 -1.894 1.00 0.00 H new ATOM 0 HB3 ALA A 20 13.178 4.950 -0.652 1.00 0.00 H new ATOM 341 N TYR A 21 10.904 3.071 -1.633 1.00 0.00 N ATOM 342 CA TYR A 21 10.123 1.922 -1.178 1.00 0.00 C ATOM 343 C TYR A 21 9.031 1.555 -2.193 1.00 0.00 C ATOM 344 O TYR A 21 8.365 0.525 -2.053 1.00 0.00 O ATOM 345 CB TYR A 21 9.479 2.216 0.184 1.00 0.00 C ATOM 346 CG TYR A 21 10.344 3.036 1.120 1.00 0.00 C ATOM 347 CD1 TYR A 21 10.425 4.419 0.995 1.00 0.00 C ATOM 348 CD2 TYR A 21 11.079 2.426 2.127 1.00 0.00 C ATOM 349 CE1 TYR A 21 11.215 5.167 1.845 1.00 0.00 C ATOM 350 CE2 TYR A 21 11.869 3.167 2.982 1.00 0.00 C ATOM 351 CZ TYR A 21 11.936 4.535 2.837 1.00 0.00 C ATOM 352 OH TYR A 21 12.726 5.275 3.685 1.00 0.00 O ATOM 0 H TYR A 21 10.452 3.972 -1.475 1.00 0.00 H new ATOM 0 HA TYR A 21 10.805 1.077 -1.081 1.00 0.00 H new ATOM 0 HB2 TYR A 21 8.539 2.743 0.022 1.00 0.00 H new ATOM 0 HB3 TYR A 21 9.235 1.271 0.669 1.00 0.00 H new ATOM 0 HD1 TYR A 21 9.860 4.916 0.220 1.00 0.00 H new ATOM 0 HD2 TYR A 21 11.032 1.353 2.243 1.00 0.00 H new ATOM 0 HE1 TYR A 21 11.268 6.240 1.734 1.00 0.00 H new ATOM 0 HE2 TYR A 21 12.432 2.676 3.762 1.00 0.00 H new ATOM 0 HH TYR A 21 12.340 6.169 3.795 1.00 0.00 H new ATOM 362 N ALA A 22 8.846 2.402 -3.212 1.00 0.00 N ATOM 363 CA ALA A 22 7.833 2.169 -4.237 1.00 0.00 C ATOM 364 C ALA A 22 8.312 1.195 -5.313 1.00 0.00 C ATOM 365 O ALA A 22 7.603 0.249 -5.645 1.00 0.00 O ATOM 366 CB ALA A 22 7.414 3.488 -4.874 1.00 0.00 C ATOM 0 H ALA A 22 9.388 3.256 -3.345 1.00 0.00 H new ATOM 0 HA ALA A 22 6.974 1.714 -3.744 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.658 3.300 -5.637 1.00 0.00 H new ATOM 0 HB2 ALA A 22 7.002 4.147 -4.109 1.00 0.00 H new ATOM 0 HB3 ALA A 22 8.282 3.963 -5.332 1.00 0.00 H new ATOM 372 N TRP A 23 9.507 1.432 -5.867 1.00 0.00 N ATOM 373 CA TRP A 23 10.045 0.562 -6.920 1.00 0.00 C ATOM 374 C TRP A 23 10.198 -0.899 -6.464 1.00 0.00 C ATOM 375 O TRP A 23 9.982 -1.812 -7.264 1.00 0.00 O ATOM 376 CB TRP A 23 11.377 1.100 -7.468 1.00 0.00 C ATOM 377 CG TRP A 23 12.487 1.146 -6.464 1.00 0.00 C ATOM 378 CD1 TRP A 23 12.887 2.228 -5.737 1.00 0.00 C ATOM 379 CD2 TRP A 23 13.344 0.064 -6.081 1.00 0.00 C ATOM 380 NE1 TRP A 23 13.932 1.885 -4.917 1.00 0.00 N ATOM 381 CE2 TRP A 23 14.234 0.562 -5.111 1.00 0.00 C ATOM 382 CE3 TRP A 23 13.443 -1.277 -6.460 1.00 0.00 C ATOM 383 CZ2 TRP A 23 15.210 -0.236 -4.517 1.00 0.00 C ATOM 384 CZ3 TRP A 23 14.410 -2.067 -5.871 1.00 0.00 C ATOM 385 CH2 TRP A 23 15.283 -1.545 -4.909 1.00 0.00 C ATOM 0 H TRP A 23 10.114 2.210 -5.608 1.00 0.00 H new ATOM 0 HA TRP A 23 9.311 0.571 -7.725 1.00 0.00 H new ATOM 0 HB2 TRP A 23 11.688 0.478 -8.307 1.00 0.00 H new ATOM 0 HB3 TRP A 23 11.216 2.105 -7.859 1.00 0.00 H new ATOM 0 HD1 TRP A 23 12.445 3.212 -5.798 1.00 0.00 H new ATOM 0 HE1 TRP A 23 14.407 2.513 -4.268 1.00 0.00 H new ATOM 0 HE3 TRP A 23 12.774 -1.689 -7.201 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 15.884 0.164 -3.774 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 14.494 -3.105 -6.157 1.00 0.00 H new ATOM 0 HH2 TRP A 23 16.029 -2.189 -4.467 1.00 0.00 H new ATOM 396 N PRO A 24 10.564 -1.162 -5.185 1.00 0.00 N ATOM 397 CA PRO A 24 10.723 -2.532 -4.682 1.00 0.00 C ATOM 398 C PRO A 24 9.386 -3.260 -4.574 1.00 0.00 C ATOM 399 O PRO A 24 9.262 -4.411 -4.997 1.00 0.00 O ATOM 400 CB PRO A 24 11.345 -2.355 -3.288 1.00 0.00 C ATOM 401 CG PRO A 24 11.743 -0.920 -3.199 1.00 0.00 C ATOM 402 CD PRO A 24 10.840 -0.175 -4.134 1.00 0.00 C ATOM 0 HA PRO A 24 11.335 -3.135 -5.353 1.00 0.00 H new ATOM 0 HB2 PRO A 24 10.631 -2.612 -2.506 1.00 0.00 H new ATOM 0 HB3 PRO A 24 12.208 -3.009 -3.159 1.00 0.00 H new ATOM 0 HG2 PRO A 24 11.638 -0.550 -2.179 1.00 0.00 H new ATOM 0 HG3 PRO A 24 12.788 -0.788 -3.480 1.00 0.00 H new ATOM 0 HD2 PRO A 24 9.926 0.152 -3.638 1.00 0.00 H new ATOM 0 HD3 PRO A 24 11.322 0.717 -4.535 1.00 0.00 H new ATOM 410 N PHE A 25 8.386 -2.578 -4.010 1.00 0.00 N ATOM 411 CA PHE A 25 7.052 -3.158 -3.851 1.00 0.00 C ATOM 412 C PHE A 25 6.192 -2.958 -5.109 1.00 0.00 C ATOM 413 O PHE A 25 5.035 -3.385 -5.147 1.00 0.00 O ATOM 414 CB PHE A 25 6.351 -2.548 -2.632 1.00 0.00 C ATOM 415 CG PHE A 25 6.976 -2.932 -1.316 1.00 0.00 C ATOM 416 CD1 PHE A 25 8.182 -2.377 -0.914 1.00 0.00 C ATOM 417 CD2 PHE A 25 6.357 -3.850 -0.481 1.00 0.00 C ATOM 418 CE1 PHE A 25 8.757 -2.730 0.293 1.00 0.00 C ATOM 419 CE2 PHE A 25 6.928 -4.207 0.726 1.00 0.00 C ATOM 420 CZ PHE A 25 8.129 -3.646 1.113 1.00 0.00 C ATOM 0 H PHE A 25 8.475 -1.625 -3.657 1.00 0.00 H new ATOM 0 HA PHE A 25 7.174 -4.230 -3.698 1.00 0.00 H new ATOM 0 HB2 PHE A 25 6.360 -1.462 -2.725 1.00 0.00 H new ATOM 0 HB3 PHE A 25 5.306 -2.859 -2.632 1.00 0.00 H new ATOM 0 HD1 PHE A 25 8.678 -1.660 -1.552 1.00 0.00 H new ATOM 0 HD2 PHE A 25 5.417 -4.291 -0.778 1.00 0.00 H new ATOM 0 HE1 PHE A 25 9.696 -2.290 0.594 1.00 0.00 H new ATOM 0 HE2 PHE A 25 6.435 -4.924 1.366 1.00 0.00 H new ATOM 0 HZ PHE A 25 8.576 -3.923 2.056 1.00 0.00 H new ATOM 430 N TYR A 26 6.758 -2.310 -6.134 1.00 0.00 N ATOM 431 CA TYR A 26 6.042 -2.059 -7.382 1.00 0.00 C ATOM 432 C TYR A 26 5.846 -3.351 -8.173 1.00 0.00 C ATOM 433 O TYR A 26 4.718 -3.721 -8.503 1.00 0.00 O ATOM 434 CB TYR A 26 6.811 -1.044 -8.234 1.00 0.00 C ATOM 435 CG TYR A 26 5.940 0.020 -8.867 1.00 0.00 C ATOM 436 CD1 TYR A 26 5.103 -0.283 -9.933 1.00 0.00 C ATOM 437 CD2 TYR A 26 5.964 1.330 -8.403 1.00 0.00 C ATOM 438 CE1 TYR A 26 4.314 0.688 -10.518 1.00 0.00 C ATOM 439 CE2 TYR A 26 5.179 2.308 -8.984 1.00 0.00 C ATOM 440 CZ TYR A 26 4.355 1.981 -10.042 1.00 0.00 C ATOM 441 OH TYR A 26 3.573 2.949 -10.629 1.00 0.00 O ATOM 0 H TYR A 26 7.712 -1.951 -6.120 1.00 0.00 H new ATOM 0 HA TYR A 26 5.061 -1.655 -7.133 1.00 0.00 H new ATOM 0 HB2 TYR A 26 7.563 -0.559 -7.611 1.00 0.00 H new ATOM 0 HB3 TYR A 26 7.344 -1.577 -9.021 1.00 0.00 H new ATOM 0 HD1 TYR A 26 5.069 -1.294 -10.311 1.00 0.00 H new ATOM 0 HD2 TYR A 26 6.607 1.588 -7.574 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.667 0.435 -11.345 1.00 0.00 H new ATOM 0 HE2 TYR A 26 5.210 3.322 -8.613 1.00 0.00 H new ATOM 0 HH TYR A 26 2.629 2.696 -10.555 1.00 0.00 H new ATOM 451 N LYS A 27 6.955 -4.029 -8.478 1.00 0.00 N ATOM 452 CA LYS A 27 6.911 -5.278 -9.237 1.00 0.00 C ATOM 453 C LYS A 27 6.500 -6.453 -8.348 1.00 0.00 C ATOM 454 O LYS A 27 6.961 -6.575 -7.210 1.00 0.00 O ATOM 455 CB LYS A 27 8.270 -5.565 -9.889 1.00 0.00 C ATOM 456 CG LYS A 27 9.414 -5.719 -8.896 1.00 0.00 C ATOM 457 CD LYS A 27 9.686 -7.182 -8.581 1.00 0.00 C ATOM 458 CE LYS A 27 10.769 -7.334 -7.524 1.00 0.00 C ATOM 459 NZ LYS A 27 10.272 -8.046 -6.312 1.00 0.00 N ATOM 0 H LYS A 27 7.894 -3.733 -8.210 1.00 0.00 H new ATOM 0 HA LYS A 27 6.161 -5.161 -10.019 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.192 -6.477 -10.481 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.508 -4.756 -10.579 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.315 -5.260 -9.303 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.173 -5.186 -7.976 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.768 -7.657 -8.234 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.989 -7.701 -9.491 1.00 0.00 H new ATOM 0 HE2 LYS A 27 11.612 -7.881 -7.945 1.00 0.00 H new ATOM 0 HE3 LYS A 27 11.138 -6.349 -7.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 11.042 -8.128 -5.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 9.484 -7.511 -5.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 9.943 -8.996 -6.578 1.00 0.00 H new ATOM 473 N PRO A 28 5.626 -7.339 -8.864 1.00 0.00 N ATOM 474 CA PRO A 28 5.153 -8.511 -8.124 1.00 0.00 C ATOM 475 C PRO A 28 6.148 -9.670 -8.161 1.00 0.00 C ATOM 476 O PRO A 28 7.289 -9.513 -8.602 1.00 0.00 O ATOM 477 CB PRO A 28 3.871 -8.885 -8.866 1.00 0.00 C ATOM 478 CG PRO A 28 4.109 -8.457 -10.274 1.00 0.00 C ATOM 479 CD PRO A 28 5.031 -7.266 -10.215 1.00 0.00 C ATOM 0 HA PRO A 28 5.012 -8.299 -7.064 1.00 0.00 H new ATOM 0 HB2 PRO A 28 3.677 -9.956 -8.805 1.00 0.00 H new ATOM 0 HB3 PRO A 28 3.005 -8.379 -8.440 1.00 0.00 H new ATOM 0 HG2 PRO A 28 4.557 -9.264 -10.853 1.00 0.00 H new ATOM 0 HG3 PRO A 28 3.170 -8.196 -10.763 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.795 -7.314 -10.991 1.00 0.00 H new ATOM 0 HD3 PRO A 28 4.487 -6.333 -10.361 1.00 0.00 H new ATOM 487 N VAL A 29 5.702 -10.836 -7.697 1.00 0.00 N ATOM 488 CA VAL A 29 6.538 -12.029 -7.679 1.00 0.00 C ATOM 489 C VAL A 29 5.780 -13.218 -8.265 1.00 0.00 C ATOM 490 O VAL A 29 5.001 -13.874 -7.568 1.00 0.00 O ATOM 491 CB VAL A 29 7.006 -12.376 -6.248 1.00 0.00 C ATOM 492 CG1 VAL A 29 8.023 -13.508 -6.279 1.00 0.00 C ATOM 493 CG2 VAL A 29 7.584 -11.149 -5.554 1.00 0.00 C ATOM 0 H VAL A 29 4.762 -10.977 -7.328 1.00 0.00 H new ATOM 0 HA VAL A 29 7.418 -11.818 -8.287 1.00 0.00 H new ATOM 0 HB VAL A 29 6.140 -12.709 -5.677 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.341 -13.739 -5.262 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.570 -14.392 -6.727 1.00 0.00 H new ATOM 0 HG13 VAL A 29 8.887 -13.205 -6.870 1.00 0.00 H new ATOM 0 HG21 VAL A 29 7.907 -11.418 -4.548 1.00 0.00 H new ATOM 0 HG22 VAL A 29 8.437 -10.778 -6.122 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.822 -10.372 -5.495 1.00 0.00 H new ATOM 503 N ASP A 30 6.007 -13.486 -9.550 1.00 0.00 N ATOM 504 CA ASP A 30 5.341 -14.593 -10.231 1.00 0.00 C ATOM 505 C ASP A 30 6.019 -15.920 -9.899 1.00 0.00 C ATOM 506 O ASP A 30 6.850 -16.416 -10.663 1.00 0.00 O ATOM 507 CB ASP A 30 5.332 -14.364 -11.747 1.00 0.00 C ATOM 508 CG ASP A 30 4.670 -13.055 -12.136 1.00 0.00 C ATOM 509 OD1 ASP A 30 3.536 -12.799 -11.677 1.00 0.00 O ATOM 510 OD2 ASP A 30 5.286 -12.285 -12.902 1.00 0.00 O ATOM 0 H ASP A 30 6.646 -12.952 -10.139 1.00 0.00 H new ATOM 0 HA ASP A 30 4.310 -14.637 -9.879 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.357 -14.373 -12.118 1.00 0.00 H new ATOM 0 HB3 ASP A 30 4.810 -15.189 -12.232 1.00 0.00 H new ATOM 515 N ALA A 31 5.656 -16.489 -8.750 1.00 0.00 N ATOM 516 CA ALA A 31 6.222 -17.760 -8.303 1.00 0.00 C ATOM 517 C ALA A 31 5.919 -18.887 -9.289 1.00 0.00 C ATOM 518 O ALA A 31 6.758 -19.756 -9.523 1.00 0.00 O ATOM 519 CB ALA A 31 5.694 -18.116 -6.922 1.00 0.00 C ATOM 0 H ALA A 31 4.970 -16.088 -8.110 1.00 0.00 H new ATOM 0 HA ALA A 31 7.304 -17.642 -8.253 1.00 0.00 H new ATOM 0 HB1 ALA A 31 6.124 -19.065 -6.602 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.971 -17.335 -6.214 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.608 -18.204 -6.959 1.00 0.00 H new ATOM 525 N SER A 32 4.713 -18.867 -9.861 1.00 0.00 N ATOM 526 CA SER A 32 4.298 -19.891 -10.822 1.00 0.00 C ATOM 527 C SER A 32 5.133 -19.826 -12.104 1.00 0.00 C ATOM 528 O SER A 32 5.425 -20.856 -12.711 1.00 0.00 O ATOM 529 CB SER A 32 2.810 -19.739 -11.160 1.00 0.00 C ATOM 530 OG SER A 32 2.011 -20.577 -10.342 1.00 0.00 O ATOM 0 H SER A 32 4.008 -18.154 -9.676 1.00 0.00 H new ATOM 0 HA SER A 32 4.462 -20.864 -10.358 1.00 0.00 H new ATOM 0 HB2 SER A 32 2.508 -18.700 -11.026 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.645 -19.986 -12.209 1.00 0.00 H new ATOM 0 HG SER A 32 1.067 -20.459 -10.577 1.00 0.00 H new ATOM 536 N ALA A 33 5.509 -18.611 -12.511 1.00 0.00 N ATOM 537 CA ALA A 33 6.305 -18.417 -13.721 1.00 0.00 C ATOM 538 C ALA A 33 7.795 -18.624 -13.450 1.00 0.00 C ATOM 539 O ALA A 33 8.440 -19.452 -14.093 1.00 0.00 O ATOM 540 CB ALA A 33 6.061 -17.028 -14.297 1.00 0.00 C ATOM 0 H ALA A 33 5.274 -17.749 -12.019 1.00 0.00 H new ATOM 0 HA ALA A 33 5.991 -19.165 -14.450 1.00 0.00 H new ATOM 0 HB1 ALA A 33 6.660 -16.897 -15.198 1.00 0.00 H new ATOM 0 HB2 ALA A 33 5.005 -16.917 -14.544 1.00 0.00 H new ATOM 0 HB3 ALA A 33 6.343 -16.274 -13.561 1.00 0.00 H new ATOM 546 N LEU A 34 8.335 -17.862 -12.498 1.00 0.00 N ATOM 547 CA LEU A 34 9.751 -17.955 -12.145 1.00 0.00 C ATOM 548 C LEU A 34 10.087 -19.323 -11.549 1.00 0.00 C ATOM 549 O LEU A 34 10.891 -20.071 -12.107 1.00 0.00 O ATOM 550 CB LEU A 34 10.126 -16.847 -11.155 1.00 0.00 C ATOM 551 CG LEU A 34 11.524 -16.254 -11.343 1.00 0.00 C ATOM 552 CD1 LEU A 34 11.449 -14.943 -12.113 1.00 0.00 C ATOM 553 CD2 LEU A 34 12.201 -16.048 -9.994 1.00 0.00 C ATOM 0 H LEU A 34 7.812 -17.173 -11.957 1.00 0.00 H new ATOM 0 HA LEU A 34 10.331 -17.831 -13.059 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.394 -16.044 -11.238 1.00 0.00 H new ATOM 0 HB3 LEU A 34 10.050 -17.245 -10.143 1.00 0.00 H new ATOM 0 HG LEU A 34 12.122 -16.957 -11.923 1.00 0.00 H new ATOM 0 HD11 LEU A 34 12.453 -14.536 -12.237 1.00 0.00 H new ATOM 0 HD12 LEU A 34 11.006 -15.121 -13.093 1.00 0.00 H new ATOM 0 HD13 LEU A 34 10.835 -14.232 -11.561 1.00 0.00 H new ATOM 0 HD21 LEU A 34 13.194 -15.626 -10.146 1.00 0.00 H new ATOM 0 HD22 LEU A 34 11.605 -15.365 -9.388 1.00 0.00 H new ATOM 0 HD23 LEU A 34 12.289 -17.006 -9.481 1.00 0.00 H new ATOM 565 N GLY A 35 9.465 -19.639 -10.412 1.00 0.00 N ATOM 566 CA GLY A 35 9.706 -20.913 -9.751 1.00 0.00 C ATOM 567 C GLY A 35 9.912 -20.767 -8.253 1.00 0.00 C ATOM 568 O GLY A 35 10.848 -21.339 -7.692 1.00 0.00 O ATOM 0 H GLY A 35 8.797 -19.033 -9.936 1.00 0.00 H new ATOM 0 HA2 GLY A 35 8.862 -21.578 -9.934 1.00 0.00 H new ATOM 0 HA3 GLY A 35 10.585 -21.385 -10.190 1.00 0.00 H new ATOM 572 N LEU A 36 9.031 -20.008 -7.604 1.00 0.00 N ATOM 573 CA LEU A 36 9.113 -19.797 -6.163 1.00 0.00 C ATOM 574 C LEU A 36 8.029 -20.596 -5.443 1.00 0.00 C ATOM 575 O LEU A 36 7.011 -20.042 -5.021 1.00 0.00 O ATOM 576 CB LEU A 36 8.981 -18.306 -5.832 1.00 0.00 C ATOM 577 CG LEU A 36 10.303 -17.544 -5.710 1.00 0.00 C ATOM 578 CD1 LEU A 36 10.054 -16.043 -5.711 1.00 0.00 C ATOM 579 CD2 LEU A 36 11.052 -17.962 -4.451 1.00 0.00 C ATOM 0 H LEU A 36 8.252 -19.529 -8.055 1.00 0.00 H new ATOM 0 HA LEU A 36 10.087 -20.145 -5.820 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.377 -17.831 -6.605 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.435 -18.206 -4.894 1.00 0.00 H new ATOM 0 HG LEU A 36 10.922 -17.792 -6.572 1.00 0.00 H new ATOM 0 HD11 LEU A 36 11.004 -15.516 -5.624 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.564 -15.756 -6.642 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.415 -15.780 -4.868 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.989 -17.408 -4.384 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.440 -17.747 -3.575 1.00 0.00 H new ATOM 0 HD23 LEU A 36 11.264 -19.030 -4.492 1.00 0.00 H new ATOM 591 N HIS A 37 8.251 -21.904 -5.310 1.00 0.00 N ATOM 592 CA HIS A 37 7.290 -22.780 -4.642 1.00 0.00 C ATOM 593 C HIS A 37 7.047 -22.329 -3.205 1.00 0.00 C ATOM 594 O HIS A 37 5.902 -22.231 -2.768 1.00 0.00 O ATOM 595 CB HIS A 37 7.777 -24.233 -4.659 1.00 0.00 C ATOM 596 CG HIS A 37 6.759 -25.197 -5.189 1.00 0.00 C ATOM 597 ND1 HIS A 37 7.095 -26.351 -5.865 1.00 0.00 N ATOM 598 CD2 HIS A 37 5.405 -25.173 -5.140 1.00 0.00 C ATOM 599 CE1 HIS A 37 5.992 -26.994 -6.210 1.00 0.00 C ATOM 600 NE2 HIS A 37 4.954 -26.300 -5.781 1.00 0.00 N ATOM 0 H HIS A 37 9.085 -22.378 -5.655 1.00 0.00 H new ATOM 0 HA HIS A 37 6.349 -22.719 -5.189 1.00 0.00 H new ATOM 0 HB2 HIS A 37 8.679 -24.299 -5.267 1.00 0.00 H new ATOM 0 HB3 HIS A 37 8.053 -24.528 -3.646 1.00 0.00 H new ATOM 0 HD2 HIS A 37 4.794 -24.409 -4.682 1.00 0.00 H new ATOM 0 HE1 HIS A 37 5.948 -27.928 -6.751 1.00 0.00 H new ATOM 0 HE2 HIS A 37 3.975 -26.559 -5.906 1.00 0.00 H new ATOM 609 N ASP A 38 8.131 -22.047 -2.479 1.00 0.00 N ATOM 610 CA ASP A 38 8.033 -21.597 -1.089 1.00 0.00 C ATOM 611 C ASP A 38 7.143 -20.356 -0.971 1.00 0.00 C ATOM 612 O ASP A 38 6.429 -20.189 0.018 1.00 0.00 O ATOM 613 CB ASP A 38 9.425 -21.295 -0.520 1.00 0.00 C ATOM 614 CG ASP A 38 9.672 -21.972 0.817 1.00 0.00 C ATOM 615 OD1 ASP A 38 8.812 -21.852 1.714 1.00 0.00 O ATOM 616 OD2 ASP A 38 10.730 -22.618 0.967 1.00 0.00 O ATOM 0 H ASP A 38 9.086 -22.122 -2.830 1.00 0.00 H new ATOM 0 HA ASP A 38 7.580 -22.403 -0.512 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.183 -21.621 -1.233 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.539 -20.217 -0.403 1.00 0.00 H new ATOM 621 N TYR A 39 7.191 -19.490 -1.986 1.00 0.00 N ATOM 622 CA TYR A 39 6.391 -18.266 -1.994 1.00 0.00 C ATOM 623 C TYR A 39 4.899 -18.580 -2.098 1.00 0.00 C ATOM 624 O TYR A 39 4.121 -18.201 -1.225 1.00 0.00 O ATOM 625 CB TYR A 39 6.818 -17.356 -3.150 1.00 0.00 C ATOM 626 CG TYR A 39 6.267 -15.949 -3.054 1.00 0.00 C ATOM 627 CD1 TYR A 39 6.721 -15.070 -2.078 1.00 0.00 C ATOM 628 CD2 TYR A 39 5.295 -15.501 -3.939 1.00 0.00 C ATOM 629 CE1 TYR A 39 6.221 -13.785 -1.988 1.00 0.00 C ATOM 630 CE2 TYR A 39 4.790 -14.217 -3.855 1.00 0.00 C ATOM 631 CZ TYR A 39 5.257 -13.364 -2.879 1.00 0.00 C ATOM 632 OH TYR A 39 4.757 -12.085 -2.793 1.00 0.00 O ATOM 0 H TYR A 39 7.776 -19.615 -2.812 1.00 0.00 H new ATOM 0 HA TYR A 39 6.565 -17.748 -1.051 1.00 0.00 H new ATOM 0 HB2 TYR A 39 7.907 -17.309 -3.180 1.00 0.00 H new ATOM 0 HB3 TYR A 39 6.492 -17.801 -4.090 1.00 0.00 H new ATOM 0 HD1 TYR A 39 7.477 -15.396 -1.379 1.00 0.00 H new ATOM 0 HD2 TYR A 39 4.928 -16.167 -4.706 1.00 0.00 H new ATOM 0 HE1 TYR A 39 6.584 -13.114 -1.223 1.00 0.00 H new ATOM 0 HE2 TYR A 39 4.034 -13.884 -4.550 1.00 0.00 H new ATOM 0 HH TYR A 39 4.087 -11.948 -3.495 1.00 0.00 H new ATOM 642 N HIS A 40 4.504 -19.271 -3.170 1.00 0.00 N ATOM 643 CA HIS A 40 3.098 -19.629 -3.375 1.00 0.00 C ATOM 644 C HIS A 40 2.596 -20.564 -2.272 1.00 0.00 C ATOM 645 O HIS A 40 1.423 -20.521 -1.903 1.00 0.00 O ATOM 646 CB HIS A 40 2.898 -20.285 -4.744 1.00 0.00 C ATOM 647 CG HIS A 40 1.456 -20.504 -5.099 1.00 0.00 C ATOM 648 ND1 HIS A 40 0.880 -21.755 -5.179 1.00 0.00 N ATOM 649 CD2 HIS A 40 0.471 -19.621 -5.395 1.00 0.00 C ATOM 650 CE1 HIS A 40 -0.394 -21.632 -5.510 1.00 0.00 C ATOM 651 NE2 HIS A 40 -0.667 -20.348 -5.646 1.00 0.00 N ATOM 0 H HIS A 40 5.133 -19.592 -3.906 1.00 0.00 H new ATOM 0 HA HIS A 40 2.517 -18.707 -3.336 1.00 0.00 H new ATOM 0 HB2 HIS A 40 3.361 -19.661 -5.508 1.00 0.00 H new ATOM 0 HB3 HIS A 40 3.417 -21.243 -4.758 1.00 0.00 H new ATOM 0 HD2 HIS A 40 0.564 -18.545 -5.427 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -1.093 -22.444 -5.646 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -1.576 -19.959 -5.897 1.00 0.00 H new ATOM 660 N ASP A 41 3.491 -21.407 -1.750 1.00 0.00 N ATOM 661 CA ASP A 41 3.135 -22.348 -0.689 1.00 0.00 C ATOM 662 C ASP A 41 2.706 -21.606 0.576 1.00 0.00 C ATOM 663 O ASP A 41 1.619 -21.843 1.102 1.00 0.00 O ATOM 664 CB ASP A 41 4.315 -23.277 -0.377 1.00 0.00 C ATOM 665 CG ASP A 41 3.890 -24.527 0.373 1.00 0.00 C ATOM 666 OD1 ASP A 41 3.416 -24.400 1.522 1.00 0.00 O ATOM 667 OD2 ASP A 41 4.030 -25.632 -0.191 1.00 0.00 O ATOM 0 H ASP A 41 4.466 -21.456 -2.046 1.00 0.00 H new ATOM 0 HA ASP A 41 2.295 -22.948 -1.040 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.803 -23.565 -1.308 1.00 0.00 H new ATOM 0 HB3 ASP A 41 5.053 -22.735 0.215 1.00 0.00 H new ATOM 672 N ILE A 42 3.567 -20.708 1.058 1.00 0.00 N ATOM 673 CA ILE A 42 3.276 -19.933 2.264 1.00 0.00 C ATOM 674 C ILE A 42 2.286 -18.805 1.979 1.00 0.00 C ATOM 675 O ILE A 42 1.252 -18.697 2.640 1.00 0.00 O ATOM 676 CB ILE A 42 4.556 -19.327 2.885 1.00 0.00 C ATOM 677 CG1 ILE A 42 5.636 -20.399 3.052 1.00 0.00 C ATOM 678 CG2 ILE A 42 4.241 -18.678 4.228 1.00 0.00 C ATOM 679 CD1 ILE A 42 6.995 -19.835 3.402 1.00 0.00 C ATOM 0 H ILE A 42 4.470 -20.500 0.632 1.00 0.00 H new ATOM 0 HA ILE A 42 2.835 -20.633 2.974 1.00 0.00 H new ATOM 0 HB ILE A 42 4.934 -18.561 2.208 1.00 0.00 H new ATOM 0 HG12 ILE A 42 5.328 -21.095 3.832 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.716 -20.971 2.127 1.00 0.00 H new ATOM 0 HG21 ILE A 42 5.153 -18.257 4.651 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.507 -17.885 4.086 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.838 -19.428 4.909 1.00 0.00 H new ATOM 0 HD11 ILE A 42 7.712 -20.650 3.505 1.00 0.00 H new ATOM 0 HD12 ILE A 42 7.324 -19.161 2.611 1.00 0.00 H new ATOM 0 HD13 ILE A 42 6.930 -19.287 4.342 1.00 0.00 H new ATOM 691 N ILE A 43 2.611 -17.964 0.998 1.00 0.00 N ATOM 692 CA ILE A 43 1.751 -16.841 0.633 1.00 0.00 C ATOM 693 C ILE A 43 0.447 -17.329 -0.001 1.00 0.00 C ATOM 694 O ILE A 43 -0.619 -17.223 0.606 1.00 0.00 O ATOM 695 CB ILE A 43 2.464 -15.864 -0.336 1.00 0.00 C ATOM 696 CG1 ILE A 43 3.833 -15.449 0.219 1.00 0.00 C ATOM 697 CG2 ILE A 43 1.600 -14.636 -0.592 1.00 0.00 C ATOM 698 CD1 ILE A 43 3.768 -14.772 1.573 1.00 0.00 C ATOM 0 H ILE A 43 3.463 -18.040 0.443 1.00 0.00 H new ATOM 0 HA ILE A 43 1.522 -16.307 1.555 1.00 0.00 H new ATOM 0 HB ILE A 43 2.620 -16.380 -1.283 1.00 0.00 H new ATOM 0 HG12 ILE A 43 4.466 -16.333 0.296 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.312 -14.775 -0.491 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.118 -13.962 -1.275 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.653 -14.944 -1.035 1.00 0.00 H new ATOM 0 HG23 ILE A 43 1.410 -14.122 0.350 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.775 -14.509 1.897 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.163 -13.868 1.499 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.319 -15.451 2.298 1.00 0.00 H new ATOM 710 N LYS A 44 0.544 -17.861 -1.226 1.00 0.00 N ATOM 711 CA LYS A 44 -0.618 -18.376 -1.965 1.00 0.00 C ATOM 712 C LYS A 44 -1.468 -17.256 -2.580 1.00 0.00 C ATOM 713 O LYS A 44 -2.175 -17.487 -3.563 1.00 0.00 O ATOM 714 CB LYS A 44 -1.484 -19.255 -1.060 1.00 0.00 C ATOM 715 CG LYS A 44 -2.090 -20.455 -1.774 1.00 0.00 C ATOM 716 CD LYS A 44 -3.197 -21.099 -0.953 1.00 0.00 C ATOM 717 CE LYS A 44 -4.554 -20.952 -1.628 1.00 0.00 C ATOM 718 NZ LYS A 44 -5.664 -20.833 -0.640 1.00 0.00 N ATOM 0 H LYS A 44 1.426 -17.947 -1.732 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.227 -18.976 -2.787 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -0.880 -19.607 -0.224 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.287 -18.649 -0.640 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.488 -20.141 -2.739 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -1.311 -21.191 -1.975 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.975 -22.156 -0.808 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.230 -20.642 0.036 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.545 -20.071 -2.270 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.733 -21.813 -2.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.568 -20.735 -1.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.691 -21.685 -0.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.508 -19.996 -0.042 1.00 0.00 H new ATOM 732 N HIS A 45 -1.404 -16.052 -2.004 1.00 0.00 N ATOM 733 CA HIS A 45 -2.174 -14.916 -2.504 1.00 0.00 C ATOM 734 C HIS A 45 -1.254 -13.736 -2.835 1.00 0.00 C ATOM 735 O HIS A 45 -1.159 -12.776 -2.066 1.00 0.00 O ATOM 736 CB HIS A 45 -3.219 -14.499 -1.466 1.00 0.00 C ATOM 737 CG HIS A 45 -4.485 -13.959 -2.061 1.00 0.00 C ATOM 738 ND1 HIS A 45 -5.004 -12.723 -1.733 1.00 0.00 N ATOM 739 CD2 HIS A 45 -5.342 -14.498 -2.960 1.00 0.00 C ATOM 740 CE1 HIS A 45 -6.126 -12.527 -2.404 1.00 0.00 C ATOM 741 NE2 HIS A 45 -6.352 -13.588 -3.155 1.00 0.00 N ATOM 0 H HIS A 45 -0.826 -15.842 -1.191 1.00 0.00 H new ATOM 0 HA HIS A 45 -2.681 -15.218 -3.421 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -3.461 -15.360 -0.842 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -2.785 -13.743 -0.812 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -5.249 -15.463 -3.435 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.751 -11.648 -2.347 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -7.149 -13.712 -3.780 1.00 0.00 H new ATOM 750 N PRO A 46 -0.556 -13.798 -3.988 1.00 0.00 N ATOM 751 CA PRO A 46 0.367 -12.736 -4.424 1.00 0.00 C ATOM 752 C PRO A 46 -0.312 -11.369 -4.528 1.00 0.00 C ATOM 753 O PRO A 46 -1.475 -11.273 -4.927 1.00 0.00 O ATOM 754 CB PRO A 46 0.830 -13.206 -5.809 1.00 0.00 C ATOM 755 CG PRO A 46 0.602 -14.678 -5.812 1.00 0.00 C ATOM 756 CD PRO A 46 -0.607 -14.911 -4.953 1.00 0.00 C ATOM 0 HA PRO A 46 1.179 -12.595 -3.711 1.00 0.00 H new ATOM 0 HB2 PRO A 46 0.263 -12.717 -6.602 1.00 0.00 H new ATOM 0 HB3 PRO A 46 1.881 -12.969 -5.975 1.00 0.00 H new ATOM 0 HG2 PRO A 46 0.438 -15.045 -6.825 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.469 -15.208 -5.418 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -1.526 -14.894 -5.539 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -0.565 -15.879 -4.453 1.00 0.00 H new ATOM 764 N MET A 47 0.424 -10.313 -4.168 1.00 0.00 N ATOM 765 CA MET A 47 -0.103 -8.950 -4.220 1.00 0.00 C ATOM 766 C MET A 47 1.018 -7.927 -4.423 1.00 0.00 C ATOM 767 O MET A 47 2.082 -8.029 -3.808 1.00 0.00 O ATOM 768 CB MET A 47 -0.881 -8.629 -2.939 1.00 0.00 C ATOM 769 CG MET A 47 -2.303 -9.168 -2.944 1.00 0.00 C ATOM 770 SD MET A 47 -3.430 -8.163 -1.959 1.00 0.00 S ATOM 771 CE MET A 47 -3.788 -6.832 -3.102 1.00 0.00 C ATOM 0 H MET A 47 1.387 -10.378 -3.838 1.00 0.00 H new ATOM 0 HA MET A 47 -0.779 -8.887 -5.073 1.00 0.00 H new ATOM 0 HB2 MET A 47 -0.346 -9.044 -2.085 1.00 0.00 H new ATOM 0 HB3 MET A 47 -0.911 -7.548 -2.802 1.00 0.00 H new ATOM 0 HG2 MET A 47 -2.666 -9.214 -3.971 1.00 0.00 H new ATOM 0 HG3 MET A 47 -2.302 -10.188 -2.560 1.00 0.00 H new ATOM 0 HE1 MET A 47 -3.429 -5.890 -2.687 1.00 0.00 H new ATOM 0 HE2 MET A 47 -3.289 -7.024 -4.052 1.00 0.00 H new ATOM 0 HE3 MET A 47 -4.864 -6.771 -3.263 1.00 0.00 H new ATOM 781 N ASP A 48 0.768 -6.947 -5.294 1.00 0.00 N ATOM 782 CA ASP A 48 1.748 -5.901 -5.595 1.00 0.00 C ATOM 783 C ASP A 48 1.067 -4.542 -5.771 1.00 0.00 C ATOM 784 O ASP A 48 -0.144 -4.466 -5.985 1.00 0.00 O ATOM 785 CB ASP A 48 2.532 -6.255 -6.864 1.00 0.00 C ATOM 786 CG ASP A 48 1.630 -6.458 -8.071 1.00 0.00 C ATOM 787 OD1 ASP A 48 0.899 -7.471 -8.110 1.00 0.00 O ATOM 788 OD2 ASP A 48 1.647 -5.600 -8.975 1.00 0.00 O ATOM 0 H ASP A 48 -0.110 -6.856 -5.806 1.00 0.00 H new ATOM 0 HA ASP A 48 2.437 -5.836 -4.753 1.00 0.00 H new ATOM 0 HB2 ASP A 48 3.247 -5.460 -7.079 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.108 -7.163 -6.689 1.00 0.00 H new ATOM 793 N LEU A 49 1.857 -3.469 -5.681 1.00 0.00 N ATOM 794 CA LEU A 49 1.336 -2.107 -5.827 1.00 0.00 C ATOM 795 C LEU A 49 0.787 -1.858 -7.234 1.00 0.00 C ATOM 796 O LEU A 49 -0.179 -1.112 -7.401 1.00 0.00 O ATOM 797 CB LEU A 49 2.427 -1.079 -5.513 1.00 0.00 C ATOM 798 CG LEU A 49 1.918 0.271 -4.994 1.00 0.00 C ATOM 799 CD1 LEU A 49 1.616 0.197 -3.504 1.00 0.00 C ATOM 800 CD2 LEU A 49 2.931 1.371 -5.282 1.00 0.00 C ATOM 0 H LEU A 49 2.861 -3.517 -5.508 1.00 0.00 H new ATOM 0 HA LEU A 49 0.516 -1.997 -5.117 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.103 -1.505 -4.771 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.013 -0.906 -6.416 1.00 0.00 H new ATOM 0 HG LEU A 49 0.992 0.511 -5.517 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.256 1.166 -3.157 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.852 -0.559 -3.325 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.523 -0.069 -2.962 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.552 2.322 -4.907 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.874 1.136 -4.789 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.093 1.444 -6.357 1.00 0.00 H new ATOM 812 N SER A 50 1.405 -2.477 -8.244 1.00 0.00 N ATOM 813 CA SER A 50 0.965 -2.304 -9.631 1.00 0.00 C ATOM 814 C SER A 50 -0.477 -2.772 -9.817 1.00 0.00 C ATOM 815 O SER A 50 -1.259 -2.125 -10.515 1.00 0.00 O ATOM 816 CB SER A 50 1.881 -3.065 -10.592 1.00 0.00 C ATOM 817 OG SER A 50 2.472 -2.185 -11.533 1.00 0.00 O ATOM 0 H SER A 50 2.206 -3.098 -8.129 1.00 0.00 H new ATOM 0 HA SER A 50 1.017 -1.239 -9.858 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.661 -3.577 -10.028 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.309 -3.832 -11.115 1.00 0.00 H new ATOM 0 HG SER A 50 3.010 -1.515 -11.061 1.00 0.00 H new ATOM 823 N THR A 51 -0.826 -3.894 -9.184 1.00 0.00 N ATOM 824 CA THR A 51 -2.181 -4.436 -9.278 1.00 0.00 C ATOM 825 C THR A 51 -3.173 -3.536 -8.544 1.00 0.00 C ATOM 826 O THR A 51 -4.291 -3.323 -9.014 1.00 0.00 O ATOM 827 CB THR A 51 -2.239 -5.862 -8.714 1.00 0.00 C ATOM 828 OG1 THR A 51 -1.402 -6.728 -9.456 1.00 0.00 O ATOM 829 CG2 THR A 51 -3.631 -6.455 -8.727 1.00 0.00 C ATOM 0 H THR A 51 -0.191 -4.442 -8.603 1.00 0.00 H new ATOM 0 HA THR A 51 -2.457 -4.471 -10.332 1.00 0.00 H new ATOM 0 HB THR A 51 -1.905 -5.776 -7.680 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.676 -7.051 -8.883 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.601 -7.464 -8.315 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.296 -5.837 -8.124 1.00 0.00 H new ATOM 0 HG23 THR A 51 -4.001 -6.492 -9.752 1.00 0.00 H new ATOM 837 N VAL A 52 -2.750 -3.000 -7.399 1.00 0.00 N ATOM 838 CA VAL A 52 -3.596 -2.108 -6.608 1.00 0.00 C ATOM 839 C VAL A 52 -4.024 -0.896 -7.440 1.00 0.00 C ATOM 840 O VAL A 52 -5.164 -0.436 -7.343 1.00 0.00 O ATOM 841 CB VAL A 52 -2.871 -1.623 -5.332 1.00 0.00 C ATOM 842 CG1 VAL A 52 -3.807 -0.804 -4.457 1.00 0.00 C ATOM 843 CG2 VAL A 52 -2.301 -2.802 -4.552 1.00 0.00 C ATOM 0 H VAL A 52 -1.827 -3.168 -6.999 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.477 -2.676 -6.311 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.043 -0.983 -5.637 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.275 -0.473 -3.565 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.158 0.065 -5.013 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.660 -1.416 -4.165 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.795 -2.437 -3.658 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.110 -3.472 -4.263 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.589 -3.341 -5.177 1.00 0.00 H new ATOM 853 N LYS A 53 -3.104 -0.395 -8.267 1.00 0.00 N ATOM 854 CA LYS A 53 -3.382 0.752 -9.129 1.00 0.00 C ATOM 855 C LYS A 53 -4.474 0.417 -10.147 1.00 0.00 C ATOM 856 O LYS A 53 -5.321 1.256 -10.456 1.00 0.00 O ATOM 857 CB LYS A 53 -2.105 1.190 -9.856 1.00 0.00 C ATOM 858 CG LYS A 53 -2.047 2.680 -10.159 1.00 0.00 C ATOM 859 CD LYS A 53 -0.610 3.165 -10.283 1.00 0.00 C ATOM 860 CE LYS A 53 -0.534 4.569 -10.869 1.00 0.00 C ATOM 861 NZ LYS A 53 -0.238 4.556 -12.332 1.00 0.00 N ATOM 0 H LYS A 53 -2.159 -0.768 -8.357 1.00 0.00 H new ATOM 0 HA LYS A 53 -3.735 1.571 -8.502 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -1.242 0.919 -9.248 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.023 0.636 -10.791 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -2.583 2.886 -11.085 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.553 3.234 -9.368 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.137 3.155 -9.301 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -0.048 2.477 -10.914 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.479 5.084 -10.696 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.238 5.136 -10.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.196 5.533 -12.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.676 4.088 -12.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -0.988 4.038 -12.833 1.00 0.00 H new ATOM 875 N ARG A 54 -4.448 -0.815 -10.663 1.00 0.00 N ATOM 876 CA ARG A 54 -5.437 -1.263 -11.646 1.00 0.00 C ATOM 877 C ARG A 54 -6.850 -1.240 -11.058 1.00 0.00 C ATOM 878 O ARG A 54 -7.812 -0.907 -11.753 1.00 0.00 O ATOM 879 CB ARG A 54 -5.101 -2.673 -12.154 1.00 0.00 C ATOM 880 CG ARG A 54 -3.649 -2.842 -12.586 1.00 0.00 C ATOM 881 CD ARG A 54 -3.416 -4.176 -13.282 1.00 0.00 C ATOM 882 NE ARG A 54 -2.053 -4.667 -13.072 1.00 0.00 N ATOM 883 CZ ARG A 54 -1.461 -5.590 -13.834 1.00 0.00 C ATOM 884 NH1 ARG A 54 -2.106 -6.138 -14.862 1.00 0.00 N ATOM 885 NH2 ARG A 54 -0.216 -5.967 -13.566 1.00 0.00 N ATOM 0 H ARG A 54 -3.753 -1.519 -10.416 1.00 0.00 H new ATOM 0 HA ARG A 54 -5.403 -0.570 -12.487 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -5.323 -3.395 -11.368 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -5.751 -2.910 -12.996 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -3.373 -2.029 -13.257 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -3.000 -2.769 -11.714 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -4.129 -4.911 -12.908 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -3.602 -4.066 -14.350 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.521 -4.279 -12.293 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -3.062 -5.854 -15.074 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -1.644 -6.842 -15.437 1.00 0.00 H new ATOM 0 HH21 ARG A 54 0.285 -5.552 -12.780 1.00 0.00 H new ATOM 0 HH22 ARG A 54 0.239 -6.672 -14.146 1.00 0.00 H new ATOM 899 N LYS A 55 -6.973 -1.592 -9.775 1.00 0.00 N ATOM 900 CA LYS A 55 -8.273 -1.603 -9.105 1.00 0.00 C ATOM 901 C LYS A 55 -8.858 -0.193 -9.028 1.00 0.00 C ATOM 902 O LYS A 55 -10.033 0.015 -9.328 1.00 0.00 O ATOM 903 CB LYS A 55 -8.149 -2.189 -7.697 1.00 0.00 C ATOM 904 CG LYS A 55 -8.108 -3.708 -7.667 1.00 0.00 C ATOM 905 CD LYS A 55 -6.750 -4.215 -7.213 1.00 0.00 C ATOM 906 CE LYS A 55 -6.862 -5.565 -6.524 1.00 0.00 C ATOM 907 NZ LYS A 55 -5.669 -5.862 -5.684 1.00 0.00 N ATOM 0 H LYS A 55 -6.191 -1.872 -9.183 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.945 -2.229 -9.692 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -7.244 -1.801 -7.230 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -8.990 -1.845 -7.095 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.881 -4.082 -6.995 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.332 -4.100 -8.659 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.085 -4.298 -8.073 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.300 -3.493 -6.531 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.757 -5.582 -5.902 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.981 -6.347 -7.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -5.475 -6.884 -5.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -4.846 -5.346 -6.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -5.851 -5.565 -4.704 1.00 0.00 H new ATOM 921 N MET A 56 -8.028 0.775 -8.635 1.00 0.00 N ATOM 922 CA MET A 56 -8.466 2.168 -8.531 1.00 0.00 C ATOM 923 C MET A 56 -8.847 2.723 -9.905 1.00 0.00 C ATOM 924 O MET A 56 -9.753 3.550 -10.018 1.00 0.00 O ATOM 925 CB MET A 56 -7.367 3.037 -7.911 1.00 0.00 C ATOM 926 CG MET A 56 -6.970 2.622 -6.502 1.00 0.00 C ATOM 927 SD MET A 56 -6.150 3.946 -5.592 1.00 0.00 S ATOM 928 CE MET A 56 -7.283 4.168 -4.223 1.00 0.00 C ATOM 0 H MET A 56 -7.051 0.621 -8.384 1.00 0.00 H new ATOM 0 HA MET A 56 -9.344 2.193 -7.885 1.00 0.00 H new ATOM 0 HB2 MET A 56 -6.485 3.001 -8.551 1.00 0.00 H new ATOM 0 HB3 MET A 56 -7.705 4.073 -7.892 1.00 0.00 H new ATOM 0 HG2 MET A 56 -7.859 2.308 -5.956 1.00 0.00 H new ATOM 0 HG3 MET A 56 -6.307 1.758 -6.555 1.00 0.00 H new ATOM 0 HE1 MET A 56 -6.718 4.352 -3.309 1.00 0.00 H new ATOM 0 HE2 MET A 56 -7.935 5.018 -4.424 1.00 0.00 H new ATOM 0 HE3 MET A 56 -7.887 3.269 -4.101 1.00 0.00 H new ATOM 938 N GLU A 57 -8.154 2.257 -10.945 1.00 0.00 N ATOM 939 CA GLU A 57 -8.420 2.698 -12.315 1.00 0.00 C ATOM 940 C GLU A 57 -9.747 2.138 -12.827 1.00 0.00 C ATOM 941 O GLU A 57 -10.413 2.761 -13.655 1.00 0.00 O ATOM 942 CB GLU A 57 -7.285 2.263 -13.244 1.00 0.00 C ATOM 943 CG GLU A 57 -5.987 3.022 -13.021 1.00 0.00 C ATOM 944 CD GLU A 57 -5.656 3.960 -14.165 1.00 0.00 C ATOM 945 OE1 GLU A 57 -5.219 3.470 -15.227 1.00 0.00 O ATOM 946 OE2 GLU A 57 -5.834 5.185 -13.999 1.00 0.00 O ATOM 0 H GLU A 57 -7.402 1.572 -10.864 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.483 3.786 -12.308 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -7.101 1.198 -13.104 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.602 2.399 -14.278 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.059 3.594 -12.096 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.172 2.310 -12.892 1.00 0.00 H new ATOM 953 N ASN A 58 -10.129 0.965 -12.323 1.00 0.00 N ATOM 954 CA ASN A 58 -11.376 0.326 -12.720 1.00 0.00 C ATOM 955 C ASN A 58 -12.474 0.575 -11.683 1.00 0.00 C ATOM 956 O ASN A 58 -13.607 0.122 -11.855 1.00 0.00 O ATOM 957 CB ASN A 58 -11.162 -1.180 -12.906 1.00 0.00 C ATOM 958 CG ASN A 58 -11.283 -1.604 -14.357 1.00 0.00 C ATOM 959 OD1 ASN A 58 -12.348 -2.032 -14.802 1.00 0.00 O ATOM 960 ND2 ASN A 58 -10.191 -1.487 -15.104 1.00 0.00 N ATOM 0 H ASN A 58 -9.588 0.439 -11.637 1.00 0.00 H new ATOM 0 HA ASN A 58 -11.694 0.762 -13.667 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -10.176 -1.454 -12.531 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -11.893 -1.725 -12.308 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -10.214 -1.757 -16.087 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -9.329 -1.127 -14.694 1.00 0.00 H new ATOM 967 N ARG A 59 -12.135 1.294 -10.603 1.00 0.00 N ATOM 968 CA ARG A 59 -13.088 1.593 -9.546 1.00 0.00 C ATOM 969 C ARG A 59 -13.533 0.310 -8.844 1.00 0.00 C ATOM 970 O ARG A 59 -14.720 0.106 -8.588 1.00 0.00 O ATOM 971 CB ARG A 59 -14.292 2.342 -10.118 1.00 0.00 C ATOM 972 CG ARG A 59 -15.109 3.068 -9.063 1.00 0.00 C ATOM 973 CD ARG A 59 -16.238 3.877 -9.680 1.00 0.00 C ATOM 974 NE ARG A 59 -15.747 4.871 -10.634 1.00 0.00 N ATOM 975 CZ ARG A 59 -15.185 6.032 -10.283 1.00 0.00 C ATOM 976 NH1 ARG A 59 -15.046 6.357 -8.999 1.00 0.00 N ATOM 977 NH2 ARG A 59 -14.759 6.872 -11.220 1.00 0.00 N ATOM 0 H ARG A 59 -11.202 1.676 -10.446 1.00 0.00 H new ATOM 0 HA ARG A 59 -12.601 2.231 -8.808 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -13.944 3.064 -10.857 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -14.935 1.635 -10.642 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -15.523 2.343 -8.362 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -14.458 3.730 -8.491 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -16.932 3.204 -10.184 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -16.797 4.379 -8.890 1.00 0.00 H new ATOM 0 HE ARG A 59 -15.839 4.666 -11.629 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -15.370 5.718 -8.273 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -14.616 7.245 -8.741 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -14.861 6.631 -12.206 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -14.330 7.758 -10.954 1.00 0.00 H new ATOM 991 N ASP A 60 -12.564 -0.549 -8.537 1.00 0.00 N ATOM 992 CA ASP A 60 -12.836 -1.816 -7.862 1.00 0.00 C ATOM 993 C ASP A 60 -13.013 -1.614 -6.358 1.00 0.00 C ATOM 994 O ASP A 60 -13.808 -2.305 -5.720 1.00 0.00 O ATOM 995 CB ASP A 60 -11.691 -2.801 -8.116 1.00 0.00 C ATOM 996 CG ASP A 60 -11.994 -4.190 -7.592 1.00 0.00 C ATOM 997 OD1 ASP A 60 -12.558 -5.001 -8.354 1.00 0.00 O ATOM 998 OD2 ASP A 60 -11.665 -4.466 -6.419 1.00 0.00 O ATOM 0 H ASP A 60 -11.578 -0.390 -8.746 1.00 0.00 H new ATOM 0 HA ASP A 60 -13.764 -2.220 -8.267 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -11.493 -2.855 -9.187 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.783 -2.428 -7.643 1.00 0.00 H new ATOM 1003 N TYR A 61 -12.257 -0.671 -5.798 1.00 0.00 N ATOM 1004 CA TYR A 61 -12.320 -0.385 -4.367 1.00 0.00 C ATOM 1005 C TYR A 61 -13.610 0.348 -3.997 1.00 0.00 C ATOM 1006 O TYR A 61 -14.460 -0.198 -3.293 1.00 0.00 O ATOM 1007 CB TYR A 61 -11.103 0.440 -3.938 1.00 0.00 C ATOM 1008 CG TYR A 61 -9.801 -0.331 -3.982 1.00 0.00 C ATOM 1009 CD1 TYR A 61 -9.531 -1.328 -3.052 1.00 0.00 C ATOM 1010 CD2 TYR A 61 -8.843 -0.060 -4.950 1.00 0.00 C ATOM 1011 CE1 TYR A 61 -8.343 -2.033 -3.087 1.00 0.00 C ATOM 1012 CE2 TYR A 61 -7.653 -0.761 -4.992 1.00 0.00 C ATOM 1013 CZ TYR A 61 -7.408 -1.746 -4.058 1.00 0.00 C ATOM 1014 OH TYR A 61 -6.223 -2.446 -4.099 1.00 0.00 O ATOM 0 H TYR A 61 -11.594 -0.093 -6.314 1.00 0.00 H new ATOM 0 HA TYR A 61 -12.313 -1.337 -3.837 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -11.020 1.313 -4.585 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -11.263 0.808 -2.925 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -10.261 -1.555 -2.290 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -9.031 0.711 -5.682 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -8.148 -2.805 -2.357 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -6.919 -0.539 -5.752 1.00 0.00 H new ATOM 0 HH TYR A 61 -6.391 -3.387 -3.884 1.00 0.00 H new ATOM 1024 N ARG A 62 -13.743 1.591 -4.471 1.00 0.00 N ATOM 1025 CA ARG A 62 -14.924 2.415 -4.190 1.00 0.00 C ATOM 1026 C ARG A 62 -15.024 2.783 -2.701 1.00 0.00 C ATOM 1027 O ARG A 62 -16.057 3.284 -2.253 1.00 0.00 O ATOM 1028 CB ARG A 62 -16.211 1.704 -4.644 1.00 0.00 C ATOM 1029 CG ARG A 62 -16.069 0.953 -5.961 1.00 0.00 C ATOM 1030 CD ARG A 62 -17.419 0.688 -6.615 1.00 0.00 C ATOM 1031 NE ARG A 62 -17.273 0.244 -8.003 1.00 0.00 N ATOM 1032 CZ ARG A 62 -18.234 -0.358 -8.711 1.00 0.00 C ATOM 1033 NH1 ARG A 62 -19.429 -0.594 -8.173 1.00 0.00 N ATOM 1034 NH2 ARG A 62 -17.998 -0.727 -9.965 1.00 0.00 N ATOM 0 H ARG A 62 -13.044 2.051 -5.054 1.00 0.00 H new ATOM 0 HA ARG A 62 -14.810 3.338 -4.758 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -16.520 1.003 -3.869 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -17.007 2.442 -4.742 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -15.443 1.530 -6.642 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -15.559 0.006 -5.785 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -17.956 -0.070 -6.045 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -18.022 1.596 -6.585 1.00 0.00 H new ATOM 0 HE ARG A 62 -16.376 0.405 -8.461 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -19.619 -0.315 -7.211 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -20.154 -1.054 -8.723 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -17.085 -0.551 -10.385 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -18.729 -1.187 -10.508 1.00 0.00 H new ATOM 1048 N ASP A 63 -13.947 2.545 -1.940 1.00 0.00 N ATOM 1049 CA ASP A 63 -13.922 2.861 -0.512 1.00 0.00 C ATOM 1050 C ASP A 63 -12.498 2.803 0.038 1.00 0.00 C ATOM 1051 O ASP A 63 -11.623 2.166 -0.550 1.00 0.00 O ATOM 1052 CB ASP A 63 -14.811 1.888 0.271 1.00 0.00 C ATOM 1053 CG ASP A 63 -16.189 2.455 0.558 1.00 0.00 C ATOM 1054 OD1 ASP A 63 -16.270 3.587 1.081 1.00 0.00 O ATOM 1055 OD2 ASP A 63 -17.187 1.764 0.263 1.00 0.00 O ATOM 0 H ASP A 63 -13.083 2.134 -2.293 1.00 0.00 H new ATOM 0 HA ASP A 63 -14.304 3.875 -0.392 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -14.914 0.962 -0.294 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -14.324 1.634 1.212 1.00 0.00 H new ATOM 1060 N ALA A 64 -12.278 3.459 1.180 1.00 0.00 N ATOM 1061 CA ALA A 64 -10.963 3.468 1.820 1.00 0.00 C ATOM 1062 C ALA A 64 -10.744 2.188 2.625 1.00 0.00 C ATOM 1063 O ALA A 64 -9.630 1.664 2.681 1.00 0.00 O ATOM 1064 CB ALA A 64 -10.806 4.692 2.713 1.00 0.00 C ATOM 0 H ALA A 64 -12.993 3.989 1.679 1.00 0.00 H new ATOM 0 HA ALA A 64 -10.206 3.515 1.037 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -9.821 4.678 3.179 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -10.911 5.596 2.113 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.574 4.679 3.487 1.00 0.00 H new ATOM 1070 N GLN A 65 -11.818 1.685 3.241 1.00 0.00 N ATOM 1071 CA GLN A 65 -11.745 0.460 4.037 1.00 0.00 C ATOM 1072 C GLN A 65 -11.298 -0.724 3.180 1.00 0.00 C ATOM 1073 O GLN A 65 -10.505 -1.555 3.625 1.00 0.00 O ATOM 1074 CB GLN A 65 -13.105 0.153 4.672 1.00 0.00 C ATOM 1075 CG GLN A 65 -13.403 0.986 5.909 1.00 0.00 C ATOM 1076 CD GLN A 65 -14.442 2.060 5.654 1.00 0.00 C ATOM 1077 OE1 GLN A 65 -15.546 1.775 5.189 1.00 0.00 O ATOM 1078 NE2 GLN A 65 -14.095 3.306 5.957 1.00 0.00 N ATOM 0 H GLN A 65 -12.746 2.107 3.203 1.00 0.00 H new ATOM 0 HA GLN A 65 -11.009 0.617 4.825 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -13.888 0.323 3.933 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -13.142 -0.903 4.938 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -13.752 0.331 6.708 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -12.482 1.453 6.258 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -13.170 3.499 6.341 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -14.754 4.070 5.806 1.00 0.00 H new ATOM 1087 N GLU A 66 -11.803 -0.791 1.946 1.00 0.00 N ATOM 1088 CA GLU A 66 -11.446 -1.872 1.030 1.00 0.00 C ATOM 1089 C GLU A 66 -9.975 -1.781 0.628 1.00 0.00 C ATOM 1090 O GLU A 66 -9.287 -2.797 0.526 1.00 0.00 O ATOM 1091 CB GLU A 66 -12.335 -1.835 -0.217 1.00 0.00 C ATOM 1092 CG GLU A 66 -13.555 -2.736 -0.120 1.00 0.00 C ATOM 1093 CD GLU A 66 -14.576 -2.232 0.883 1.00 0.00 C ATOM 1094 OE1 GLU A 66 -14.375 -2.452 2.096 1.00 0.00 O ATOM 1095 OE2 GLU A 66 -15.575 -1.617 0.455 1.00 0.00 O ATOM 0 H GLU A 66 -12.458 -0.111 1.561 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.605 -2.818 1.547 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -12.663 -0.810 -0.389 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.744 -2.130 -1.084 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -14.023 -2.814 -1.101 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -13.239 -3.740 0.163 1.00 0.00 H new ATOM 1102 N PHE A 67 -9.497 -0.556 0.408 1.00 0.00 N ATOM 1103 CA PHE A 67 -8.105 -0.331 0.025 1.00 0.00 C ATOM 1104 C PHE A 67 -7.155 -0.801 1.125 1.00 0.00 C ATOM 1105 O PHE A 67 -6.185 -1.509 0.854 1.00 0.00 O ATOM 1106 CB PHE A 67 -7.868 1.151 -0.267 1.00 0.00 C ATOM 1107 CG PHE A 67 -6.635 1.415 -1.086 1.00 0.00 C ATOM 1108 CD1 PHE A 67 -6.657 1.254 -2.461 1.00 0.00 C ATOM 1109 CD2 PHE A 67 -5.458 1.827 -0.482 1.00 0.00 C ATOM 1110 CE1 PHE A 67 -5.529 1.497 -3.219 1.00 0.00 C ATOM 1111 CE2 PHE A 67 -4.326 2.073 -1.235 1.00 0.00 C ATOM 1112 CZ PHE A 67 -4.362 1.908 -2.606 1.00 0.00 C ATOM 0 H PHE A 67 -10.054 0.295 0.489 1.00 0.00 H new ATOM 0 HA PHE A 67 -7.905 -0.910 -0.877 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -8.735 1.552 -0.792 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -7.789 1.690 0.677 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -7.567 0.935 -2.946 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -5.425 1.957 0.590 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -5.559 1.366 -4.291 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -3.415 2.394 -0.753 1.00 0.00 H new ATOM 0 HZ PHE A 67 -3.479 2.100 -3.197 1.00 0.00 H new ATOM 1122 N ALA A 68 -7.446 -0.401 2.365 1.00 0.00 N ATOM 1123 CA ALA A 68 -6.622 -0.779 3.513 1.00 0.00 C ATOM 1124 C ALA A 68 -6.485 -2.296 3.619 1.00 0.00 C ATOM 1125 O ALA A 68 -5.427 -2.804 3.988 1.00 0.00 O ATOM 1126 CB ALA A 68 -7.204 -0.210 4.800 1.00 0.00 C ATOM 0 H ALA A 68 -8.247 0.185 2.599 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.628 -0.359 3.362 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -6.577 -0.502 5.643 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -7.240 0.877 4.734 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -8.212 -0.598 4.946 1.00 0.00 H new ATOM 1132 N ALA A 69 -7.562 -3.012 3.289 1.00 0.00 N ATOM 1133 CA ALA A 69 -7.558 -4.472 3.341 1.00 0.00 C ATOM 1134 C ALA A 69 -6.571 -5.055 2.332 1.00 0.00 C ATOM 1135 O ALA A 69 -5.830 -5.987 2.646 1.00 0.00 O ATOM 1136 CB ALA A 69 -8.957 -5.021 3.091 1.00 0.00 C ATOM 0 H ALA A 69 -8.445 -2.604 2.984 1.00 0.00 H new ATOM 0 HA ALA A 69 -7.239 -4.771 4.340 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -8.934 -6.110 3.134 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.638 -4.643 3.853 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -9.302 -4.704 2.107 1.00 0.00 H new ATOM 1142 N ASP A 70 -6.567 -4.499 1.119 1.00 0.00 N ATOM 1143 CA ASP A 70 -5.670 -4.965 0.061 1.00 0.00 C ATOM 1144 C ASP A 70 -4.214 -4.652 0.394 1.00 0.00 C ATOM 1145 O ASP A 70 -3.327 -5.475 0.163 1.00 0.00 O ATOM 1146 CB ASP A 70 -6.048 -4.321 -1.277 1.00 0.00 C ATOM 1147 CG ASP A 70 -7.081 -5.125 -2.043 1.00 0.00 C ATOM 1148 OD1 ASP A 70 -8.057 -5.590 -1.419 1.00 0.00 O ATOM 1149 OD2 ASP A 70 -6.916 -5.287 -3.269 1.00 0.00 O ATOM 0 H ASP A 70 -7.174 -3.726 0.846 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.778 -6.047 -0.017 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -6.435 -3.318 -1.096 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.152 -4.211 -1.889 1.00 0.00 H new ATOM 1154 N VAL A 71 -3.973 -3.462 0.943 1.00 0.00 N ATOM 1155 CA VAL A 71 -2.621 -3.050 1.309 1.00 0.00 C ATOM 1156 C VAL A 71 -2.088 -3.897 2.466 1.00 0.00 C ATOM 1157 O VAL A 71 -0.927 -4.310 2.458 1.00 0.00 O ATOM 1158 CB VAL A 71 -2.559 -1.556 1.698 1.00 0.00 C ATOM 1159 CG1 VAL A 71 -1.119 -1.124 1.918 1.00 0.00 C ATOM 1160 CG2 VAL A 71 -3.224 -0.690 0.634 1.00 0.00 C ATOM 0 H VAL A 71 -4.694 -2.769 1.143 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.996 -3.202 0.429 1.00 0.00 H new ATOM 0 HB VAL A 71 -3.106 -1.423 2.632 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.093 -0.069 2.191 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.680 -1.717 2.720 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -0.550 -1.275 1.001 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -3.168 0.357 0.930 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -2.711 -0.826 -0.318 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -4.269 -0.982 0.528 1.00 0.00 H new ATOM 1170 N ARG A 72 -2.946 -4.157 3.456 1.00 0.00 N ATOM 1171 CA ARG A 72 -2.564 -4.960 4.617 1.00 0.00 C ATOM 1172 C ARG A 72 -2.022 -6.326 4.190 1.00 0.00 C ATOM 1173 O ARG A 72 -1.056 -6.822 4.769 1.00 0.00 O ATOM 1174 CB ARG A 72 -3.759 -5.143 5.560 1.00 0.00 C ATOM 1175 CG ARG A 72 -3.474 -4.715 6.991 1.00 0.00 C ATOM 1176 CD ARG A 72 -4.680 -4.929 7.896 1.00 0.00 C ATOM 1177 NE ARG A 72 -4.408 -5.897 8.960 1.00 0.00 N ATOM 1178 CZ ARG A 72 -3.551 -5.687 9.965 1.00 0.00 C ATOM 1179 NH1 ARG A 72 -2.870 -4.545 10.050 1.00 0.00 N ATOM 1180 NH2 ARG A 72 -3.373 -6.625 10.889 1.00 0.00 N ATOM 0 H ARG A 72 -3.909 -3.822 3.475 1.00 0.00 H new ATOM 0 HA ARG A 72 -1.773 -4.427 5.145 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -4.604 -4.569 5.179 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -4.058 -6.191 5.555 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -2.625 -5.279 7.377 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -3.190 -3.663 7.006 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -4.973 -3.977 8.339 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -5.523 -5.276 7.299 1.00 0.00 H new ATOM 0 HE ARG A 72 -4.904 -6.788 8.933 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -3.000 -3.820 9.344 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -2.219 -4.396 10.821 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -3.889 -7.503 10.831 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -2.720 -6.467 11.657 1.00 0.00 H new ATOM 1194 N LEU A 73 -2.646 -6.925 3.172 1.00 0.00 N ATOM 1195 CA LEU A 73 -2.219 -8.231 2.666 1.00 0.00 C ATOM 1196 C LEU A 73 -0.785 -8.173 2.138 1.00 0.00 C ATOM 1197 O LEU A 73 0.023 -9.057 2.424 1.00 0.00 O ATOM 1198 CB LEU A 73 -3.167 -8.712 1.558 1.00 0.00 C ATOM 1199 CG LEU A 73 -3.312 -10.234 1.420 1.00 0.00 C ATOM 1200 CD1 LEU A 73 -2.014 -10.860 0.931 1.00 0.00 C ATOM 1201 CD2 LEU A 73 -3.743 -10.857 2.741 1.00 0.00 C ATOM 0 H LEU A 73 -3.448 -6.526 2.683 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.252 -8.939 3.494 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -4.154 -8.287 1.740 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -2.817 -8.311 0.607 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.086 -10.433 0.679 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.142 -11.939 0.841 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -1.753 -10.443 -0.042 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.217 -10.647 1.643 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.840 -11.936 2.620 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.996 -10.643 3.505 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -4.703 -10.439 3.045 1.00 0.00 H new ATOM 1213 N MET A 74 -0.474 -7.127 1.368 1.00 0.00 N ATOM 1214 CA MET A 74 0.866 -6.957 0.801 1.00 0.00 C ATOM 1215 C MET A 74 1.910 -6.747 1.898 1.00 0.00 C ATOM 1216 O MET A 74 2.965 -7.384 1.888 1.00 0.00 O ATOM 1217 CB MET A 74 0.891 -5.777 -0.176 1.00 0.00 C ATOM 1218 CG MET A 74 2.173 -5.686 -0.991 1.00 0.00 C ATOM 1219 SD MET A 74 2.811 -4.003 -1.100 1.00 0.00 S ATOM 1220 CE MET A 74 2.236 -3.530 -2.728 1.00 0.00 C ATOM 0 H MET A 74 -1.131 -6.386 1.123 1.00 0.00 H new ATOM 0 HA MET A 74 1.115 -7.871 0.262 1.00 0.00 H new ATOM 0 HB2 MET A 74 0.044 -5.862 -0.856 1.00 0.00 H new ATOM 0 HB3 MET A 74 0.760 -4.851 0.383 1.00 0.00 H new ATOM 0 HG2 MET A 74 2.930 -6.329 -0.542 1.00 0.00 H new ATOM 0 HG3 MET A 74 1.988 -6.066 -1.996 1.00 0.00 H new ATOM 0 HE1 MET A 74 1.958 -2.476 -2.724 1.00 0.00 H new ATOM 0 HE2 MET A 74 3.031 -3.692 -3.456 1.00 0.00 H new ATOM 0 HE3 MET A 74 1.369 -4.133 -2.997 1.00 0.00 H new ATOM 1230 N PHE A 75 1.612 -5.852 2.842 1.00 0.00 N ATOM 1231 CA PHE A 75 2.531 -5.563 3.945 1.00 0.00 C ATOM 1232 C PHE A 75 2.691 -6.779 4.855 1.00 0.00 C ATOM 1233 O PHE A 75 3.806 -7.128 5.247 1.00 0.00 O ATOM 1234 CB PHE A 75 2.038 -4.361 4.759 1.00 0.00 C ATOM 1235 CG PHE A 75 2.454 -3.034 4.185 1.00 0.00 C ATOM 1236 CD1 PHE A 75 1.659 -2.386 3.255 1.00 0.00 C ATOM 1237 CD2 PHE A 75 3.645 -2.438 4.573 1.00 0.00 C ATOM 1238 CE1 PHE A 75 2.041 -1.170 2.722 1.00 0.00 C ATOM 1239 CE2 PHE A 75 4.031 -1.222 4.043 1.00 0.00 C ATOM 1240 CZ PHE A 75 3.229 -0.587 3.117 1.00 0.00 C ATOM 0 H PHE A 75 0.744 -5.316 2.865 1.00 0.00 H new ATOM 0 HA PHE A 75 3.503 -5.322 3.515 1.00 0.00 H new ATOM 0 HB2 PHE A 75 0.950 -4.396 4.821 1.00 0.00 H new ATOM 0 HB3 PHE A 75 2.418 -4.442 5.778 1.00 0.00 H new ATOM 0 HD1 PHE A 75 0.729 -2.837 2.942 1.00 0.00 H new ATOM 0 HD2 PHE A 75 4.277 -2.930 5.297 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.411 -0.676 1.997 1.00 0.00 H new ATOM 0 HE2 PHE A 75 4.961 -0.768 4.354 1.00 0.00 H new ATOM 0 HZ PHE A 75 3.530 0.364 2.702 1.00 0.00 H new ATOM 1250 N SER A 76 1.569 -7.424 5.183 1.00 0.00 N ATOM 1251 CA SER A 76 1.582 -8.607 6.043 1.00 0.00 C ATOM 1252 C SER A 76 2.264 -9.785 5.348 1.00 0.00 C ATOM 1253 O SER A 76 2.883 -10.621 6.004 1.00 0.00 O ATOM 1254 CB SER A 76 0.156 -8.996 6.449 1.00 0.00 C ATOM 1255 OG SER A 76 0.155 -9.757 7.645 1.00 0.00 O ATOM 0 H SER A 76 0.640 -7.146 4.865 1.00 0.00 H new ATOM 0 HA SER A 76 2.150 -8.358 6.939 1.00 0.00 H new ATOM 0 HB2 SER A 76 -0.444 -8.097 6.586 1.00 0.00 H new ATOM 0 HB3 SER A 76 -0.309 -9.571 5.648 1.00 0.00 H new ATOM 0 HG SER A 76 -0.766 -9.991 7.883 1.00 0.00 H new ATOM 1261 N ASN A 77 2.149 -9.848 4.019 1.00 0.00 N ATOM 1262 CA ASN A 77 2.761 -10.927 3.245 1.00 0.00 C ATOM 1263 C ASN A 77 4.276 -10.929 3.423 1.00 0.00 C ATOM 1264 O ASN A 77 4.877 -11.972 3.675 1.00 0.00 O ATOM 1265 CB ASN A 77 2.419 -10.787 1.757 1.00 0.00 C ATOM 1266 CG ASN A 77 1.333 -11.750 1.308 1.00 0.00 C ATOM 1267 OD1 ASN A 77 0.954 -12.666 2.038 1.00 0.00 O ATOM 1268 ND2 ASN A 77 0.830 -11.550 0.094 1.00 0.00 N ATOM 0 H ASN A 77 1.639 -9.165 3.459 1.00 0.00 H new ATOM 0 HA ASN A 77 2.360 -11.871 3.615 1.00 0.00 H new ATOM 0 HB2 ASN A 77 2.097 -9.765 1.558 1.00 0.00 H new ATOM 0 HB3 ASN A 77 3.318 -10.959 1.165 1.00 0.00 H new ATOM 0 HD21 ASN A 77 0.102 -12.168 -0.264 1.00 0.00 H new ATOM 0 HD22 ASN A 77 1.172 -10.779 -0.479 1.00 0.00 H new ATOM 1275 N CYS A 78 4.885 -9.751 3.292 1.00 0.00 N ATOM 1276 CA CYS A 78 6.331 -9.613 3.441 1.00 0.00 C ATOM 1277 C CYS A 78 6.764 -9.884 4.881 1.00 0.00 C ATOM 1278 O CYS A 78 7.801 -10.504 5.120 1.00 0.00 O ATOM 1279 CB CYS A 78 6.779 -8.212 3.014 1.00 0.00 C ATOM 1280 SG CYS A 78 8.361 -8.176 2.140 1.00 0.00 S ATOM 0 H CYS A 78 4.398 -8.879 3.083 1.00 0.00 H new ATOM 0 HA CYS A 78 6.807 -10.351 2.796 1.00 0.00 H new ATOM 0 HB2 CYS A 78 6.012 -7.777 2.373 1.00 0.00 H new ATOM 0 HB3 CYS A 78 6.851 -7.580 3.899 1.00 0.00 H new ATOM 0 HG CYS A 78 8.652 -6.950 1.819 1.00 0.00 H new ATOM 1286 N TYR A 79 5.962 -9.414 5.838 1.00 0.00 N ATOM 1287 CA TYR A 79 6.261 -9.604 7.255 1.00 0.00 C ATOM 1288 C TYR A 79 6.092 -11.068 7.665 1.00 0.00 C ATOM 1289 O TYR A 79 6.970 -11.644 8.307 1.00 0.00 O ATOM 1290 CB TYR A 79 5.359 -8.710 8.112 1.00 0.00 C ATOM 1291 CG TYR A 79 6.086 -7.549 8.753 1.00 0.00 C ATOM 1292 CD1 TYR A 79 6.384 -6.402 8.026 1.00 0.00 C ATOM 1293 CD2 TYR A 79 6.475 -7.601 10.085 1.00 0.00 C ATOM 1294 CE1 TYR A 79 7.049 -5.341 8.611 1.00 0.00 C ATOM 1295 CE2 TYR A 79 7.139 -6.545 10.676 1.00 0.00 C ATOM 1296 CZ TYR A 79 7.424 -5.418 9.936 1.00 0.00 C ATOM 1297 OH TYR A 79 8.087 -4.365 10.523 1.00 0.00 O ATOM 0 H TYR A 79 5.101 -8.899 5.656 1.00 0.00 H new ATOM 0 HA TYR A 79 7.301 -9.324 7.419 1.00 0.00 H new ATOM 0 HB2 TYR A 79 4.551 -8.323 7.491 1.00 0.00 H new ATOM 0 HB3 TYR A 79 4.899 -9.315 8.893 1.00 0.00 H new ATOM 0 HD1 TYR A 79 6.091 -6.339 6.988 1.00 0.00 H new ATOM 0 HD2 TYR A 79 6.254 -8.483 10.668 1.00 0.00 H new ATOM 0 HE1 TYR A 79 7.274 -4.456 8.034 1.00 0.00 H new ATOM 0 HE2 TYR A 79 7.434 -6.602 11.713 1.00 0.00 H new ATOM 0 HH TYR A 79 8.278 -4.580 11.460 1.00 0.00 H new ATOM 1307 N LYS A 80 4.958 -11.662 7.292 1.00 0.00 N ATOM 1308 CA LYS A 80 4.673 -13.059 7.622 1.00 0.00 C ATOM 1309 C LYS A 80 5.649 -14.006 6.919 1.00 0.00 C ATOM 1310 O LYS A 80 6.049 -15.023 7.486 1.00 0.00 O ATOM 1311 CB LYS A 80 3.231 -13.413 7.240 1.00 0.00 C ATOM 1312 CG LYS A 80 2.564 -14.392 8.197 1.00 0.00 C ATOM 1313 CD LYS A 80 1.270 -13.828 8.766 1.00 0.00 C ATOM 1314 CE LYS A 80 0.494 -14.881 9.543 1.00 0.00 C ATOM 1315 NZ LYS A 80 -0.865 -14.403 9.927 1.00 0.00 N ATOM 0 H LYS A 80 4.221 -11.197 6.761 1.00 0.00 H new ATOM 0 HA LYS A 80 4.798 -13.180 8.698 1.00 0.00 H new ATOM 0 HB2 LYS A 80 2.640 -12.498 7.201 1.00 0.00 H new ATOM 0 HB3 LYS A 80 3.225 -13.839 6.237 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.356 -15.326 7.676 1.00 0.00 H new ATOM 0 HG3 LYS A 80 3.248 -14.628 9.012 1.00 0.00 H new ATOM 0 HD2 LYS A 80 1.496 -12.986 9.420 1.00 0.00 H new ATOM 0 HD3 LYS A 80 0.652 -13.445 7.954 1.00 0.00 H new ATOM 0 HE2 LYS A 80 0.404 -15.784 8.939 1.00 0.00 H new ATOM 0 HE3 LYS A 80 1.050 -15.152 10.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -1.360 -15.150 10.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -0.779 -13.556 10.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -1.405 -14.168 9.070 1.00 0.00 H new ATOM 1329 N TYR A 81 6.027 -13.664 5.685 1.00 0.00 N ATOM 1330 CA TYR A 81 6.958 -14.483 4.906 1.00 0.00 C ATOM 1331 C TYR A 81 8.302 -14.617 5.621 1.00 0.00 C ATOM 1332 O TYR A 81 8.789 -15.729 5.835 1.00 0.00 O ATOM 1333 CB TYR A 81 7.162 -13.874 3.514 1.00 0.00 C ATOM 1334 CG TYR A 81 7.981 -14.735 2.572 1.00 0.00 C ATOM 1335 CD1 TYR A 81 7.571 -16.020 2.237 1.00 0.00 C ATOM 1336 CD2 TYR A 81 9.161 -14.257 2.013 1.00 0.00 C ATOM 1337 CE1 TYR A 81 8.313 -16.804 1.374 1.00 0.00 C ATOM 1338 CE2 TYR A 81 9.908 -15.036 1.150 1.00 0.00 C ATOM 1339 CZ TYR A 81 9.481 -16.307 0.833 1.00 0.00 C ATOM 1340 OH TYR A 81 10.222 -17.084 -0.028 1.00 0.00 O ATOM 0 H TYR A 81 5.702 -12.825 5.204 1.00 0.00 H new ATOM 0 HA TYR A 81 6.526 -15.478 4.801 1.00 0.00 H new ATOM 0 HB2 TYR A 81 6.186 -13.690 3.064 1.00 0.00 H new ATOM 0 HB3 TYR A 81 7.651 -12.906 3.622 1.00 0.00 H new ATOM 0 HD1 TYR A 81 6.657 -16.412 2.658 1.00 0.00 H new ATOM 0 HD2 TYR A 81 9.499 -13.261 2.257 1.00 0.00 H new ATOM 0 HE1 TYR A 81 7.980 -17.801 1.124 1.00 0.00 H new ATOM 0 HE2 TYR A 81 10.823 -14.650 0.726 1.00 0.00 H new ATOM 0 HH TYR A 81 11.014 -16.585 -0.320 1.00 0.00 H new ATOM 1350 N ASN A 82 8.896 -13.482 5.991 1.00 0.00 N ATOM 1351 CA ASN A 82 10.181 -13.479 6.684 1.00 0.00 C ATOM 1352 C ASN A 82 10.168 -12.495 7.854 1.00 0.00 C ATOM 1353 O ASN A 82 9.783 -11.334 7.690 1.00 0.00 O ATOM 1354 CB ASN A 82 11.314 -13.130 5.713 1.00 0.00 C ATOM 1355 CG ASN A 82 12.417 -14.172 5.720 1.00 0.00 C ATOM 1356 OD1 ASN A 82 13.429 -14.016 6.403 1.00 0.00 O ATOM 1357 ND2 ASN A 82 12.227 -15.245 4.958 1.00 0.00 N ATOM 0 H ASN A 82 8.507 -12.555 5.822 1.00 0.00 H new ATOM 0 HA ASN A 82 10.353 -14.480 7.079 1.00 0.00 H new ATOM 0 HB2 ASN A 82 10.910 -13.038 4.705 1.00 0.00 H new ATOM 0 HB3 ASN A 82 11.732 -12.159 5.979 1.00 0.00 H new ATOM 0 HD21 ASN A 82 12.935 -15.978 4.924 1.00 0.00 H new ATOM 0 HD22 ASN A 82 11.373 -15.335 4.407 1.00 0.00 H new ATOM 1364 N PRO A 83 10.587 -12.949 9.057 1.00 0.00 N ATOM 1365 CA PRO A 83 10.621 -12.105 10.262 1.00 0.00 C ATOM 1366 C PRO A 83 11.416 -10.814 10.050 1.00 0.00 C ATOM 1367 O PRO A 83 12.247 -10.729 9.143 1.00 0.00 O ATOM 1368 CB PRO A 83 11.305 -12.994 11.305 1.00 0.00 C ATOM 1369 CG PRO A 83 11.060 -14.386 10.837 1.00 0.00 C ATOM 1370 CD PRO A 83 11.057 -14.320 9.336 1.00 0.00 C ATOM 0 HA PRO A 83 9.624 -11.776 10.554 1.00 0.00 H new ATOM 0 HB2 PRO A 83 12.372 -12.780 11.369 1.00 0.00 H new ATOM 0 HB3 PRO A 83 10.887 -12.831 12.299 1.00 0.00 H new ATOM 0 HG2 PRO A 83 11.836 -15.062 11.197 1.00 0.00 H new ATOM 0 HG3 PRO A 83 10.109 -14.763 11.214 1.00 0.00 H new ATOM 0 HD2 PRO A 83 12.050 -14.496 8.924 1.00 0.00 H new ATOM 0 HD3 PRO A 83 10.394 -15.069 8.902 1.00 0.00 H new ATOM 1378 N PRO A 84 11.165 -9.786 10.885 1.00 0.00 N ATOM 1379 CA PRO A 84 11.853 -8.495 10.781 1.00 0.00 C ATOM 1380 C PRO A 84 13.334 -8.589 11.140 1.00 0.00 C ATOM 1381 O PRO A 84 13.696 -8.728 12.311 1.00 0.00 O ATOM 1382 CB PRO A 84 11.125 -7.596 11.783 1.00 0.00 C ATOM 1383 CG PRO A 84 9.889 -8.338 12.177 1.00 0.00 C ATOM 1384 CD PRO A 84 10.192 -9.796 11.986 1.00 0.00 C ATOM 0 HA PRO A 84 11.826 -8.118 9.759 1.00 0.00 H new ATOM 0 HB2 PRO A 84 11.751 -7.392 12.651 1.00 0.00 H new ATOM 0 HB3 PRO A 84 10.877 -6.634 11.336 1.00 0.00 H new ATOM 0 HG2 PRO A 84 9.624 -8.129 13.213 1.00 0.00 H new ATOM 0 HG3 PRO A 84 9.041 -8.034 11.563 1.00 0.00 H new ATOM 0 HD2 PRO A 84 10.607 -10.244 12.889 1.00 0.00 H new ATOM 0 HD3 PRO A 84 9.298 -10.365 11.730 1.00 0.00 H new ATOM 1392 N ASP A 85 14.180 -8.507 10.120 1.00 0.00 N ATOM 1393 CA ASP A 85 15.633 -8.576 10.300 1.00 0.00 C ATOM 1394 C ASP A 85 16.371 -8.370 8.971 1.00 0.00 C ATOM 1395 O ASP A 85 17.420 -8.974 8.736 1.00 0.00 O ATOM 1396 CB ASP A 85 16.036 -9.926 10.917 1.00 0.00 C ATOM 1397 CG ASP A 85 15.276 -11.100 10.322 1.00 0.00 C ATOM 1398 OD1 ASP A 85 15.426 -11.351 9.107 1.00 0.00 O ATOM 1399 OD2 ASP A 85 14.531 -11.765 11.071 1.00 0.00 O ATOM 0 H ASP A 85 13.886 -8.392 9.150 1.00 0.00 H new ATOM 0 HA ASP A 85 15.919 -7.772 10.978 1.00 0.00 H new ATOM 0 HB2 ASP A 85 17.105 -10.081 10.772 1.00 0.00 H new ATOM 0 HB3 ASP A 85 15.861 -9.895 11.992 1.00 0.00 H new ATOM 1404 N HIS A 86 15.819 -7.517 8.103 1.00 0.00 N ATOM 1405 CA HIS A 86 16.423 -7.242 6.799 1.00 0.00 C ATOM 1406 C HIS A 86 15.932 -5.910 6.233 1.00 0.00 C ATOM 1407 O HIS A 86 15.018 -5.291 6.780 1.00 0.00 O ATOM 1408 CB HIS A 86 16.082 -8.368 5.814 1.00 0.00 C ATOM 1409 CG HIS A 86 17.200 -9.337 5.550 1.00 0.00 C ATOM 1410 ND1 HIS A 86 18.379 -9.363 6.269 1.00 0.00 N ATOM 1411 CD2 HIS A 86 17.304 -10.328 4.632 1.00 0.00 C ATOM 1412 CE1 HIS A 86 19.156 -10.324 5.803 1.00 0.00 C ATOM 1413 NE2 HIS A 86 18.526 -10.924 4.811 1.00 0.00 N ATOM 0 H HIS A 86 14.955 -7.006 8.281 1.00 0.00 H new ATOM 0 HA HIS A 86 17.503 -7.185 6.936 1.00 0.00 H new ATOM 0 HB2 HIS A 86 15.225 -8.921 6.199 1.00 0.00 H new ATOM 0 HB3 HIS A 86 15.775 -7.923 4.868 1.00 0.00 H new ATOM 0 HD1 HIS A 86 18.613 -8.737 7.040 1.00 0.00 H new ATOM 0 HD2 HIS A 86 16.562 -10.599 3.896 1.00 0.00 H new ATOM 0 HE1 HIS A 86 20.140 -10.576 6.171 1.00 0.00 H new ATOM 1422 N ASP A 87 16.536 -5.484 5.123 1.00 0.00 N ATOM 1423 CA ASP A 87 16.154 -4.233 4.468 1.00 0.00 C ATOM 1424 C ASP A 87 14.763 -4.343 3.839 1.00 0.00 C ATOM 1425 O ASP A 87 14.020 -3.363 3.789 1.00 0.00 O ATOM 1426 CB ASP A 87 17.179 -3.859 3.394 1.00 0.00 C ATOM 1427 CG ASP A 87 17.225 -2.365 3.133 1.00 0.00 C ATOM 1428 OD1 ASP A 87 17.567 -1.608 4.065 1.00 0.00 O ATOM 1429 OD2 ASP A 87 16.918 -1.953 1.995 1.00 0.00 O ATOM 0 H ASP A 87 17.292 -5.987 4.659 1.00 0.00 H new ATOM 0 HA ASP A 87 16.129 -3.452 5.228 1.00 0.00 H new ATOM 0 HB2 ASP A 87 18.166 -4.202 3.703 1.00 0.00 H new ATOM 0 HB3 ASP A 87 16.937 -4.380 2.468 1.00 0.00 H new ATOM 1434 N VAL A 88 14.420 -5.541 3.360 1.00 0.00 N ATOM 1435 CA VAL A 88 13.121 -5.778 2.732 1.00 0.00 C ATOM 1436 C VAL A 88 11.975 -5.499 3.708 1.00 0.00 C ATOM 1437 O VAL A 88 11.103 -4.673 3.434 1.00 0.00 O ATOM 1438 CB VAL A 88 12.993 -7.226 2.205 1.00 0.00 C ATOM 1439 CG1 VAL A 88 11.733 -7.380 1.363 1.00 0.00 C ATOM 1440 CG2 VAL A 88 14.226 -7.628 1.404 1.00 0.00 C ATOM 0 H VAL A 88 15.025 -6.361 3.396 1.00 0.00 H new ATOM 0 HA VAL A 88 13.055 -5.090 1.889 1.00 0.00 H new ATOM 0 HB VAL A 88 12.918 -7.892 3.064 1.00 0.00 H new ATOM 0 HG11 VAL A 88 11.660 -8.406 1.001 1.00 0.00 H new ATOM 0 HG12 VAL A 88 10.859 -7.147 1.971 1.00 0.00 H new ATOM 0 HG13 VAL A 88 11.777 -6.698 0.514 1.00 0.00 H new ATOM 0 HG21 VAL A 88 14.109 -8.651 1.045 1.00 0.00 H new ATOM 0 HG22 VAL A 88 14.342 -6.956 0.554 1.00 0.00 H new ATOM 0 HG23 VAL A 88 15.109 -7.565 2.040 1.00 0.00 H new ATOM 1450 N VAL A 89 11.984 -6.193 4.847 1.00 0.00 N ATOM 1451 CA VAL A 89 10.946 -6.019 5.861 1.00 0.00 C ATOM 1452 C VAL A 89 11.011 -4.621 6.480 1.00 0.00 C ATOM 1453 O VAL A 89 9.979 -3.994 6.725 1.00 0.00 O ATOM 1454 CB VAL A 89 11.054 -7.079 6.979 1.00 0.00 C ATOM 1455 CG1 VAL A 89 9.892 -6.949 7.953 1.00 0.00 C ATOM 1456 CG2 VAL A 89 11.111 -8.484 6.390 1.00 0.00 C ATOM 0 H VAL A 89 12.698 -6.880 5.089 1.00 0.00 H new ATOM 0 HA VAL A 89 9.989 -6.145 5.355 1.00 0.00 H new ATOM 0 HB VAL A 89 11.980 -6.905 7.526 1.00 0.00 H new ATOM 0 HG11 VAL A 89 9.985 -7.704 8.734 1.00 0.00 H new ATOM 0 HG12 VAL A 89 9.905 -5.957 8.404 1.00 0.00 H new ATOM 0 HG13 VAL A 89 8.952 -7.093 7.420 1.00 0.00 H new ATOM 0 HG21 VAL A 89 11.187 -9.214 7.196 1.00 0.00 H new ATOM 0 HG22 VAL A 89 10.206 -8.674 5.813 1.00 0.00 H new ATOM 0 HG23 VAL A 89 11.981 -8.571 5.739 1.00 0.00 H new ATOM 1466 N ALA A 90 12.232 -4.137 6.724 1.00 0.00 N ATOM 1467 CA ALA A 90 12.433 -2.810 7.305 1.00 0.00 C ATOM 1468 C ALA A 90 11.835 -1.718 6.413 1.00 0.00 C ATOM 1469 O ALA A 90 11.368 -0.692 6.909 1.00 0.00 O ATOM 1470 CB ALA A 90 13.915 -2.550 7.539 1.00 0.00 C ATOM 0 H ALA A 90 13.094 -4.645 6.528 1.00 0.00 H new ATOM 0 HA ALA A 90 11.916 -2.783 8.264 1.00 0.00 H new ATOM 0 HB1 ALA A 90 14.047 -1.558 7.972 1.00 0.00 H new ATOM 0 HB2 ALA A 90 14.312 -3.300 8.223 1.00 0.00 H new ATOM 0 HB3 ALA A 90 14.448 -2.606 6.590 1.00 0.00 H new ATOM 1476 N MET A 91 11.852 -1.946 5.097 1.00 0.00 N ATOM 1477 CA MET A 91 11.307 -0.982 4.141 1.00 0.00 C ATOM 1478 C MET A 91 9.797 -0.826 4.325 1.00 0.00 C ATOM 1479 O MET A 91 9.280 0.291 4.360 1.00 0.00 O ATOM 1480 CB MET A 91 11.610 -1.421 2.703 1.00 0.00 C ATOM 1481 CG MET A 91 12.601 -0.522 1.981 1.00 0.00 C ATOM 1482 SD MET A 91 13.831 -1.456 1.053 1.00 0.00 S ATOM 1483 CE MET A 91 14.623 -0.145 0.127 1.00 0.00 C ATOM 0 H MET A 91 12.237 -2.789 4.671 1.00 0.00 H new ATOM 0 HA MET A 91 11.783 -0.020 4.328 1.00 0.00 H new ATOM 0 HB2 MET A 91 12.002 -2.438 2.719 1.00 0.00 H new ATOM 0 HB3 MET A 91 10.679 -1.447 2.137 1.00 0.00 H new ATOM 0 HG2 MET A 91 12.061 0.137 1.301 1.00 0.00 H new ATOM 0 HG3 MET A 91 13.105 0.115 2.708 1.00 0.00 H new ATOM 0 HE1 MET A 91 15.411 -0.566 -0.498 1.00 0.00 H new ATOM 0 HE2 MET A 91 13.886 0.352 -0.504 1.00 0.00 H new ATOM 0 HE3 MET A 91 15.055 0.579 0.818 1.00 0.00 H new ATOM 1493 N ALA A 92 9.098 -1.957 4.446 1.00 0.00 N ATOM 1494 CA ALA A 92 7.648 -1.955 4.632 1.00 0.00 C ATOM 1495 C ALA A 92 7.273 -1.341 5.978 1.00 0.00 C ATOM 1496 O ALA A 92 6.299 -0.596 6.081 1.00 0.00 O ATOM 1497 CB ALA A 92 7.097 -3.369 4.519 1.00 0.00 C ATOM 0 H ALA A 92 9.515 -2.887 4.418 1.00 0.00 H new ATOM 0 HA ALA A 92 7.204 -1.345 3.846 1.00 0.00 H new ATOM 0 HB1 ALA A 92 6.016 -3.351 4.660 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.328 -3.772 3.533 1.00 0.00 H new ATOM 0 HB3 ALA A 92 7.552 -3.999 5.283 1.00 0.00 H new ATOM 1503 N ARG A 93 8.061 -1.653 7.008 1.00 0.00 N ATOM 1504 CA ARG A 93 7.823 -1.124 8.351 1.00 0.00 C ATOM 1505 C ARG A 93 7.784 0.404 8.337 1.00 0.00 C ATOM 1506 O ARG A 93 6.969 1.017 9.027 1.00 0.00 O ATOM 1507 CB ARG A 93 8.917 -1.600 9.307 1.00 0.00 C ATOM 1508 CG ARG A 93 8.646 -1.267 10.768 1.00 0.00 C ATOM 1509 CD ARG A 93 9.895 -0.750 11.463 1.00 0.00 C ATOM 1510 NE ARG A 93 9.590 0.299 12.435 1.00 0.00 N ATOM 1511 CZ ARG A 93 10.491 1.160 12.914 1.00 0.00 C ATOM 1512 NH1 ARG A 93 11.761 1.098 12.522 1.00 0.00 N ATOM 1513 NH2 ARG A 93 10.120 2.086 13.789 1.00 0.00 N ATOM 0 H ARG A 93 8.870 -2.270 6.937 1.00 0.00 H new ATOM 0 HA ARG A 93 6.857 -1.494 8.693 1.00 0.00 H new ATOM 0 HB2 ARG A 93 9.031 -2.679 9.205 1.00 0.00 H new ATOM 0 HB3 ARG A 93 9.865 -1.150 9.012 1.00 0.00 H new ATOM 0 HG2 ARG A 93 7.857 -0.518 10.831 1.00 0.00 H new ATOM 0 HG3 ARG A 93 8.283 -2.156 11.284 1.00 0.00 H new ATOM 0 HD2 ARG A 93 10.397 -1.576 11.967 1.00 0.00 H new ATOM 0 HD3 ARG A 93 10.590 -0.362 10.718 1.00 0.00 H new ATOM 0 HE ARG A 93 8.629 0.378 12.768 1.00 0.00 H new ATOM 0 HH11 ARG A 93 12.053 0.388 11.850 1.00 0.00 H new ATOM 0 HH12 ARG A 93 12.442 1.760 12.893 1.00 0.00 H new ATOM 0 HH21 ARG A 93 9.148 2.139 14.094 1.00 0.00 H new ATOM 0 HH22 ARG A 93 10.807 2.745 14.156 1.00 0.00 H new ATOM 1527 N LYS A 94 8.673 1.005 7.543 1.00 0.00 N ATOM 1528 CA LYS A 94 8.752 2.457 7.424 1.00 0.00 C ATOM 1529 C LYS A 94 7.454 3.033 6.857 1.00 0.00 C ATOM 1530 O LYS A 94 7.000 4.095 7.282 1.00 0.00 O ATOM 1531 CB LYS A 94 9.941 2.839 6.535 1.00 0.00 C ATOM 1532 CG LYS A 94 11.272 2.869 7.278 1.00 0.00 C ATOM 1533 CD LYS A 94 12.460 2.800 6.325 1.00 0.00 C ATOM 1534 CE LYS A 94 13.743 2.431 7.058 1.00 0.00 C ATOM 1535 NZ LYS A 94 13.891 0.957 7.221 1.00 0.00 N ATOM 0 H LYS A 94 9.351 0.502 6.971 1.00 0.00 H new ATOM 0 HA LYS A 94 8.898 2.879 8.418 1.00 0.00 H new ATOM 0 HB2 LYS A 94 10.010 2.130 5.710 1.00 0.00 H new ATOM 0 HB3 LYS A 94 9.756 3.820 6.097 1.00 0.00 H new ATOM 0 HG2 LYS A 94 11.336 3.781 7.871 1.00 0.00 H new ATOM 0 HG3 LYS A 94 11.317 2.032 7.975 1.00 0.00 H new ATOM 0 HD2 LYS A 94 12.260 2.064 5.546 1.00 0.00 H new ATOM 0 HD3 LYS A 94 12.587 3.763 5.830 1.00 0.00 H new ATOM 0 HE2 LYS A 94 14.599 2.822 6.509 1.00 0.00 H new ATOM 0 HE3 LYS A 94 13.749 2.906 8.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 14.304 0.751 8.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 12.958 0.504 7.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 14.515 0.586 6.476 1.00 0.00 H new ATOM 1549 N LEU A 95 6.858 2.324 5.898 1.00 0.00 N ATOM 1550 CA LEU A 95 5.608 2.765 5.281 1.00 0.00 C ATOM 1551 C LEU A 95 4.399 2.435 6.163 1.00 0.00 C ATOM 1552 O LEU A 95 3.386 3.134 6.117 1.00 0.00 O ATOM 1553 CB LEU A 95 5.439 2.119 3.904 1.00 0.00 C ATOM 1554 CG LEU A 95 6.091 2.880 2.751 1.00 0.00 C ATOM 1555 CD1 LEU A 95 7.586 3.031 2.989 1.00 0.00 C ATOM 1556 CD2 LEU A 95 5.826 2.176 1.428 1.00 0.00 C ATOM 0 H LEU A 95 7.220 1.443 5.532 1.00 0.00 H new ATOM 0 HA LEU A 95 5.659 3.848 5.168 1.00 0.00 H new ATOM 0 HB2 LEU A 95 5.856 1.113 3.938 1.00 0.00 H new ATOM 0 HB3 LEU A 95 4.374 2.016 3.696 1.00 0.00 H new ATOM 0 HG LEU A 95 5.650 3.876 2.703 1.00 0.00 H new ATOM 0 HD11 LEU A 95 8.034 3.575 2.158 1.00 0.00 H new ATOM 0 HD12 LEU A 95 7.753 3.581 3.915 1.00 0.00 H new ATOM 0 HD13 LEU A 95 8.044 2.045 3.065 1.00 0.00 H new ATOM 0 HD21 LEU A 95 6.298 2.733 0.619 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.238 1.168 1.463 1.00 0.00 H new ATOM 0 HD23 LEU A 95 4.751 2.123 1.253 1.00 0.00 H new ATOM 1568 N GLN A 96 4.507 1.366 6.957 1.00 0.00 N ATOM 1569 CA GLN A 96 3.418 0.943 7.840 1.00 0.00 C ATOM 1570 C GLN A 96 3.041 2.040 8.841 1.00 0.00 C ATOM 1571 O GLN A 96 1.857 2.313 9.050 1.00 0.00 O ATOM 1572 CB GLN A 96 3.810 -0.333 8.590 1.00 0.00 C ATOM 1573 CG GLN A 96 2.671 -1.332 8.731 1.00 0.00 C ATOM 1574 CD GLN A 96 3.144 -2.773 8.678 1.00 0.00 C ATOM 1575 OE1 GLN A 96 2.357 -3.632 8.040 1.00 0.00 O flip ATOM 1576 NE2 GLN A 96 4.204 -3.112 9.205 1.00 0.00 N flip ATOM 0 H GLN A 96 5.339 0.778 7.006 1.00 0.00 H new ATOM 0 HA GLN A 96 2.547 0.745 7.216 1.00 0.00 H new ATOM 0 HB2 GLN A 96 4.639 -0.811 8.068 1.00 0.00 H new ATOM 0 HB3 GLN A 96 4.171 -0.064 9.583 1.00 0.00 H new ATOM 0 HG2 GLN A 96 2.156 -1.158 9.676 1.00 0.00 H new ATOM 0 HG3 GLN A 96 1.945 -1.163 7.936 1.00 0.00 H new ATOM 0 HE21 GLN A 96 4.779 -2.420 9.685 1.00 0.00 H new ATOM 0 HE22 GLN A 96 4.507 -4.085 9.161 1.00 0.00 H new ATOM 1585 N ASP A 97 4.048 2.665 9.458 1.00 0.00 N ATOM 1586 CA ASP A 97 3.807 3.730 10.434 1.00 0.00 C ATOM 1587 C ASP A 97 3.147 4.942 9.775 1.00 0.00 C ATOM 1588 O ASP A 97 2.369 5.653 10.415 1.00 0.00 O ATOM 1589 CB ASP A 97 5.114 4.141 11.136 1.00 0.00 C ATOM 1590 CG ASP A 97 6.218 4.537 10.169 1.00 0.00 C ATOM 1591 OD1 ASP A 97 6.125 5.630 9.569 1.00 0.00 O ATOM 1592 OD2 ASP A 97 7.181 3.753 10.017 1.00 0.00 O ATOM 0 H ASP A 97 5.033 2.453 9.300 1.00 0.00 H new ATOM 0 HA ASP A 97 3.123 3.340 11.188 1.00 0.00 H new ATOM 0 HB2 ASP A 97 4.911 4.976 11.806 1.00 0.00 H new ATOM 0 HB3 ASP A 97 5.462 3.313 11.754 1.00 0.00 H new ATOM 1597 N VAL A 98 3.445 5.166 8.492 1.00 0.00 N ATOM 1598 CA VAL A 98 2.859 6.286 7.756 1.00 0.00 C ATOM 1599 C VAL A 98 1.359 6.067 7.558 1.00 0.00 C ATOM 1600 O VAL A 98 0.562 6.990 7.734 1.00 0.00 O ATOM 1601 CB VAL A 98 3.529 6.499 6.376 1.00 0.00 C ATOM 1602 CG1 VAL A 98 3.025 7.784 5.730 1.00 0.00 C ATOM 1603 CG2 VAL A 98 5.047 6.524 6.504 1.00 0.00 C ATOM 0 H VAL A 98 4.085 4.590 7.946 1.00 0.00 H new ATOM 0 HA VAL A 98 3.030 7.180 8.356 1.00 0.00 H new ATOM 0 HB VAL A 98 3.258 5.660 5.735 1.00 0.00 H new ATOM 0 HG11 VAL A 98 3.507 7.917 4.761 1.00 0.00 H new ATOM 0 HG12 VAL A 98 1.945 7.723 5.593 1.00 0.00 H new ATOM 0 HG13 VAL A 98 3.262 8.632 6.373 1.00 0.00 H new ATOM 0 HG21 VAL A 98 5.493 6.675 5.521 1.00 0.00 H new ATOM 0 HG22 VAL A 98 5.343 7.338 7.165 1.00 0.00 H new ATOM 0 HG23 VAL A 98 5.393 5.577 6.918 1.00 0.00 H new ATOM 1613 N PHE A 99 0.982 4.838 7.200 1.00 0.00 N ATOM 1614 CA PHE A 99 -0.423 4.497 6.988 1.00 0.00 C ATOM 1615 C PHE A 99 -1.220 4.653 8.282 1.00 0.00 C ATOM 1616 O PHE A 99 -2.320 5.204 8.274 1.00 0.00 O ATOM 1617 CB PHE A 99 -0.556 3.061 6.465 1.00 0.00 C ATOM 1618 CG PHE A 99 -1.706 2.864 5.513 1.00 0.00 C ATOM 1619 CD1 PHE A 99 -3.012 3.101 5.918 1.00 0.00 C ATOM 1620 CD2 PHE A 99 -1.479 2.440 4.213 1.00 0.00 C ATOM 1621 CE1 PHE A 99 -4.067 2.920 5.043 1.00 0.00 C ATOM 1622 CE2 PHE A 99 -2.531 2.257 3.335 1.00 0.00 C ATOM 1623 CZ PHE A 99 -3.826 2.497 3.750 1.00 0.00 C ATOM 0 H PHE A 99 1.630 4.064 7.051 1.00 0.00 H new ATOM 0 HA PHE A 99 -0.827 5.183 6.244 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.370 2.780 5.964 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -0.678 2.386 7.312 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -3.206 3.431 6.928 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -0.469 2.250 3.882 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -5.079 3.109 5.370 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -2.340 1.926 2.325 1.00 0.00 H new ATOM 0 HZ PHE A 99 -4.649 2.354 3.065 1.00 0.00 H new ATOM 1633 N GLU A 100 -0.660 4.163 9.391 1.00 0.00 N ATOM 1634 CA GLU A 100 -1.327 4.249 10.691 1.00 0.00 C ATOM 1635 C GLU A 100 -1.638 5.699 11.063 1.00 0.00 C ATOM 1636 O GLU A 100 -2.732 5.999 11.544 1.00 0.00 O ATOM 1637 CB GLU A 100 -0.468 3.608 11.786 1.00 0.00 C ATOM 1638 CG GLU A 100 -0.557 2.089 11.827 1.00 0.00 C ATOM 1639 CD GLU A 100 -0.206 1.523 13.189 1.00 0.00 C ATOM 1640 OE1 GLU A 100 0.994 1.281 13.440 1.00 0.00 O ATOM 1641 OE2 GLU A 100 -1.129 1.321 14.006 1.00 0.00 O ATOM 0 H GLU A 100 0.251 3.704 9.414 1.00 0.00 H new ATOM 0 HA GLU A 100 -2.267 3.704 10.610 1.00 0.00 H new ATOM 0 HB2 GLU A 100 0.572 3.898 11.635 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -0.773 4.007 12.754 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -1.567 1.780 11.558 1.00 0.00 H new ATOM 0 HG3 GLU A 100 0.115 1.669 11.078 1.00 0.00 H new ATOM 1648 N PHE A 101 -0.674 6.595 10.837 1.00 0.00 N ATOM 1649 CA PHE A 101 -0.855 8.013 11.152 1.00 0.00 C ATOM 1650 C PHE A 101 -2.003 8.616 10.342 1.00 0.00 C ATOM 1651 O PHE A 101 -2.773 9.429 10.857 1.00 0.00 O ATOM 1652 CB PHE A 101 0.437 8.792 10.880 1.00 0.00 C ATOM 1653 CG PHE A 101 1.130 9.259 12.129 1.00 0.00 C ATOM 1654 CD1 PHE A 101 0.572 10.255 12.916 1.00 0.00 C ATOM 1655 CD2 PHE A 101 2.337 8.701 12.519 1.00 0.00 C ATOM 1656 CE1 PHE A 101 1.205 10.686 14.066 1.00 0.00 C ATOM 1657 CE2 PHE A 101 2.975 9.128 13.669 1.00 0.00 C ATOM 1658 CZ PHE A 101 2.408 10.121 14.443 1.00 0.00 C ATOM 0 H PHE A 101 0.236 6.364 10.439 1.00 0.00 H new ATOM 0 HA PHE A 101 -1.102 8.089 12.211 1.00 0.00 H new ATOM 0 HB2 PHE A 101 1.119 8.161 10.310 1.00 0.00 H new ATOM 0 HB3 PHE A 101 0.206 9.656 10.257 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -0.369 10.699 12.627 1.00 0.00 H new ATOM 0 HD2 PHE A 101 2.785 7.924 11.918 1.00 0.00 H new ATOM 0 HE1 PHE A 101 0.760 11.463 14.669 1.00 0.00 H new ATOM 0 HE2 PHE A 101 3.916 8.685 13.962 1.00 0.00 H new ATOM 0 HZ PHE A 101 2.904 10.456 15.342 1.00 0.00 H new ATOM 1668 N ARG A 102 -2.120 8.207 9.078 1.00 0.00 N ATOM 1669 CA ARG A 102 -3.184 8.704 8.207 1.00 0.00 C ATOM 1670 C ARG A 102 -4.513 8.028 8.540 1.00 0.00 C ATOM 1671 O ARG A 102 -5.572 8.650 8.452 1.00 0.00 O ATOM 1672 CB ARG A 102 -2.831 8.471 6.732 1.00 0.00 C ATOM 1673 CG ARG A 102 -2.599 9.754 5.944 1.00 0.00 C ATOM 1674 CD ARG A 102 -1.417 10.544 6.489 1.00 0.00 C ATOM 1675 NE ARG A 102 -1.532 11.974 6.200 1.00 0.00 N ATOM 1676 CZ ARG A 102 -0.844 12.926 6.840 1.00 0.00 C ATOM 1677 NH1 ARG A 102 0.014 12.609 7.807 1.00 0.00 N ATOM 1678 NH2 ARG A 102 -1.015 14.201 6.511 1.00 0.00 N ATOM 0 H ARG A 102 -1.493 7.535 8.636 1.00 0.00 H new ATOM 0 HA ARG A 102 -3.285 9.776 8.376 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -1.934 7.854 6.676 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -3.636 7.907 6.260 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -2.422 9.511 4.896 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -3.497 10.371 5.981 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -1.349 10.397 7.567 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -0.494 10.160 6.056 1.00 0.00 H new ATOM 0 HE ARG A 102 -2.177 12.263 5.465 1.00 0.00 H new ATOM 0 HH11 ARG A 102 0.152 11.632 8.066 1.00 0.00 H new ATOM 0 HH12 ARG A 102 0.534 13.343 8.289 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -1.670 14.453 5.771 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -0.491 14.928 6.998 1.00 0.00 H new ATOM 1692 N TYR A 103 -4.448 6.752 8.932 1.00 0.00 N ATOM 1693 CA TYR A 103 -5.644 5.987 9.287 1.00 0.00 C ATOM 1694 C TYR A 103 -6.367 6.587 10.501 1.00 0.00 C ATOM 1695 O TYR A 103 -7.535 6.281 10.739 1.00 0.00 O ATOM 1696 CB TYR A 103 -5.282 4.525 9.570 1.00 0.00 C ATOM 1697 CG TYR A 103 -6.277 3.531 9.002 1.00 0.00 C ATOM 1698 CD1 TYR A 103 -6.497 3.443 7.632 1.00 0.00 C ATOM 1699 CD2 TYR A 103 -6.995 2.682 9.837 1.00 0.00 C ATOM 1700 CE1 TYR A 103 -7.403 2.539 7.111 1.00 0.00 C ATOM 1701 CE2 TYR A 103 -7.902 1.775 9.322 1.00 0.00 C ATOM 1702 CZ TYR A 103 -8.102 1.707 7.960 1.00 0.00 C ATOM 1703 OH TYR A 103 -9.004 0.805 7.444 1.00 0.00 O ATOM 0 H TYR A 103 -3.577 6.227 9.011 1.00 0.00 H new ATOM 0 HA TYR A 103 -6.322 6.034 8.434 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -4.296 4.317 9.155 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -5.211 4.379 10.648 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -5.951 4.092 6.964 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -6.842 2.732 10.905 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -7.563 2.484 6.044 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -8.452 1.122 9.984 1.00 0.00 H new ATOM 0 HH TYR A 103 -9.410 0.294 8.175 1.00 0.00 H new ATOM 1713 N ALA A 104 -5.674 7.439 11.266 1.00 0.00 N ATOM 1714 CA ALA A 104 -6.267 8.072 12.445 1.00 0.00 C ATOM 1715 C ALA A 104 -6.979 9.374 12.074 1.00 0.00 C ATOM 1716 O ALA A 104 -8.136 9.580 12.441 1.00 0.00 O ATOM 1717 CB ALA A 104 -5.206 8.331 13.505 1.00 0.00 C ATOM 0 H ALA A 104 -4.705 7.704 11.089 1.00 0.00 H new ATOM 0 HA ALA A 104 -7.009 7.386 12.854 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -5.667 8.802 14.373 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -4.751 7.386 13.803 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -4.439 8.991 13.099 1.00 0.00 H new ATOM 1723 N LYS A 105 -6.282 10.251 11.345 1.00 0.00 N ATOM 1724 CA LYS A 105 -6.857 11.534 10.927 1.00 0.00 C ATOM 1725 C LYS A 105 -7.885 11.355 9.804 1.00 0.00 C ATOM 1726 O LYS A 105 -8.713 12.235 9.574 1.00 0.00 O ATOM 1727 CB LYS A 105 -5.755 12.499 10.471 1.00 0.00 C ATOM 1728 CG LYS A 105 -5.273 13.442 11.565 1.00 0.00 C ATOM 1729 CD LYS A 105 -5.862 14.837 11.403 1.00 0.00 C ATOM 1730 CE LYS A 105 -4.900 15.910 11.891 1.00 0.00 C ATOM 1731 NZ LYS A 105 -5.214 17.250 11.316 1.00 0.00 N ATOM 0 H LYS A 105 -5.323 10.097 11.033 1.00 0.00 H new ATOM 0 HA LYS A 105 -7.368 11.955 11.793 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -4.907 11.920 10.104 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -6.126 13.089 9.633 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -5.550 13.041 12.540 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -4.185 13.501 11.542 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -6.102 15.012 10.354 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -6.797 14.905 11.959 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -4.940 15.965 12.979 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -3.881 15.631 11.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -4.534 17.950 11.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -5.150 17.206 10.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -6.177 17.529 11.592 1.00 0.00 H new ATOM 1745 N MET A 106 -7.828 10.221 9.100 1.00 0.00 N ATOM 1746 CA MET A 106 -8.759 9.953 8.003 1.00 0.00 C ATOM 1747 C MET A 106 -10.213 9.921 8.492 1.00 0.00 C ATOM 1748 O MET A 106 -11.040 10.709 8.030 1.00 0.00 O ATOM 1749 CB MET A 106 -8.410 8.630 7.307 1.00 0.00 C ATOM 1750 CG MET A 106 -7.557 8.798 6.060 1.00 0.00 C ATOM 1751 SD MET A 106 -7.283 7.241 5.192 1.00 0.00 S ATOM 1752 CE MET A 106 -7.935 7.633 3.571 1.00 0.00 C ATOM 0 H MET A 106 -7.150 9.478 9.270 1.00 0.00 H new ATOM 0 HA MET A 106 -8.661 10.768 7.286 1.00 0.00 H new ATOM 0 HB2 MET A 106 -7.883 7.987 8.012 1.00 0.00 H new ATOM 0 HB3 MET A 106 -9.334 8.118 7.038 1.00 0.00 H new ATOM 0 HG2 MET A 106 -8.041 9.505 5.386 1.00 0.00 H new ATOM 0 HG3 MET A 106 -6.595 9.229 6.338 1.00 0.00 H new ATOM 0 HE1 MET A 106 -8.531 6.796 3.207 1.00 0.00 H new ATOM 0 HE2 MET A 106 -8.561 8.523 3.636 1.00 0.00 H new ATOM 0 HE3 MET A 106 -7.111 7.818 2.882 1.00 0.00 H new ATOM 1762 N PRO A 107 -10.549 9.004 9.425 1.00 0.00 N ATOM 1763 CA PRO A 107 -11.914 8.874 9.955 1.00 0.00 C ATOM 1764 C PRO A 107 -12.399 10.129 10.688 1.00 0.00 C ATOM 1765 O PRO A 107 -12.064 10.349 11.854 1.00 0.00 O ATOM 1766 CB PRO A 107 -11.818 7.685 10.921 1.00 0.00 C ATOM 1767 CG PRO A 107 -10.373 7.575 11.257 1.00 0.00 C ATOM 1768 CD PRO A 107 -9.637 8.016 10.025 1.00 0.00 C ATOM 0 HA PRO A 107 -12.638 8.731 9.153 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -12.419 7.854 11.815 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -12.186 6.770 10.457 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -10.120 8.204 12.111 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -10.110 6.552 11.526 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -8.670 8.456 10.269 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -9.446 7.182 9.350 1.00 0.00 H new ATOM 1776 N ASP A 108 -13.207 10.933 9.988 1.00 0.00 N ATOM 1777 CA ASP A 108 -13.781 12.166 10.537 1.00 0.00 C ATOM 1778 C ASP A 108 -12.719 13.102 11.121 1.00 0.00 C ATOM 1779 O ASP A 108 -12.428 13.058 12.318 1.00 0.00 O ATOM 1780 CB ASP A 108 -14.835 11.832 11.602 1.00 0.00 C ATOM 1781 CG ASP A 108 -15.735 13.012 11.918 1.00 0.00 C ATOM 1782 OD1 ASP A 108 -15.342 13.855 12.753 1.00 0.00 O ATOM 1783 OD2 ASP A 108 -16.832 13.095 11.328 1.00 0.00 O ATOM 0 H ASP A 108 -13.482 10.747 9.024 1.00 0.00 H new ATOM 0 HA ASP A 108 -14.252 12.695 9.708 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -15.444 10.997 11.256 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -14.335 11.506 12.514 1.00 0.00 H new TER 1788 ASP A 108