USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 863 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 11 MET CE :methyl 179:sc= -0.338 (180deg=0) USER MOD Set 1.2: A 14 SER OG : rot 180:sc= -0.0245 USER MOD Set 1.3: A 42 THR OG1 : rot 180:sc= -0.334 USER MOD Set 2.1: A 4 CYS SG : rot -130:sc= 0.956 USER MOD Set 2.2: A 6 MET CE :methyl 162:sc= -0.133 (180deg=-0.227) USER MOD Set 2.3: A 20 CYS SG : rot 180:sc= 0 USER MOD Set 3.1: A 10 SER OG : rot 111:sc= 0.0888 USER MOD Set 3.2: A 71 ASN : amide:sc= 0.158 K(o=0.25,f=-1.1) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -131:sc= 0.78 (180deg=-0.00973) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 109:sc= 1.66 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 HIS : no HD1:sc= -0.465 X(o=-0.47,f=-0.84) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot -106:sc= 0.0343 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= -0.539 USER MOD Single : A 40 ASN : amide:sc= -0.0881 K(o=-0.088,f=-0.65) USER MOD Single : A 45 MET CE :methyl -138:sc= -0.12 (180deg=-0.8) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 60:sc= 0.525 USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.00356 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -126:sc= -0.582 (180deg=-3.68!) USER MOD Single : A 77 MET CE :methyl -119:sc= -2.36 (180deg=-6.55!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.0851 K(o=-0.085,f=-1.8!) USER MOD Single : A 88 MET CE :methyl 167:sc= -2.2 (180deg=-2.7) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ -161:sc= -0.0495 (180deg=-0.314) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0741) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 ASN : amide:sc= 0.602 K(o=0.6,f=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 86:sc= 0.404 USER MOD Single : A 110 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.362 -0.445 0.482 1.00 0.00 N ATOM 2 CA MET A 1 -0.220 0.806 0.009 1.00 0.00 C ATOM 3 C MET A 1 -0.737 0.660 -1.419 1.00 0.00 C ATOM 4 O MET A 1 -0.345 -0.257 -2.142 1.00 0.00 O ATOM 5 CB MET A 1 0.814 1.932 0.076 1.00 0.00 C ATOM 6 CG MET A 1 2.016 1.708 -0.826 1.00 0.00 C ATOM 7 SD MET A 1 3.344 0.807 -0.004 1.00 0.00 S ATOM 8 CE MET A 1 3.825 -0.339 -1.293 1.00 0.00 C ATOM 0 H1 MET A 1 -0.025 -0.675 1.420 1.00 0.00 H new ATOM 0 H2 MET A 1 0.131 -1.209 -0.185 1.00 0.00 H new ATOM 0 H3 MET A 1 1.395 -0.344 0.549 1.00 0.00 H new ATOM 0 HA MET A 1 -1.060 1.054 0.657 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.334 2.871 -0.199 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.157 2.038 1.105 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.702 1.156 -1.712 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.393 2.672 -1.168 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.640 -0.968 -0.935 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.974 -0.965 -1.559 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.154 0.218 -2.170 1.00 0.00 H new ATOM 18 N THR A 2 -1.620 1.569 -1.820 1.00 0.00 N ATOM 19 CA THR A 2 -2.192 1.540 -3.160 1.00 0.00 C ATOM 20 C THR A 2 -1.700 2.718 -3.993 1.00 0.00 C ATOM 21 O THR A 2 -2.017 3.872 -3.703 1.00 0.00 O ATOM 22 CB THR A 2 -3.732 1.565 -3.114 1.00 0.00 C ATOM 23 OG1 THR A 2 -4.209 0.626 -2.145 1.00 0.00 O ATOM 24 CG2 THR A 2 -4.319 1.236 -4.479 1.00 0.00 C ATOM 0 H THR A 2 -1.955 2.335 -1.235 1.00 0.00 H new ATOM 0 HA THR A 2 -1.865 0.609 -3.624 1.00 0.00 H new ATOM 0 HB THR A 2 -4.049 2.569 -2.832 1.00 0.00 H new ATOM 0 HG1 THR A 2 -5.188 0.650 -2.121 1.00 0.00 H new ATOM 0 HG21 THR A 2 -5.407 1.260 -4.422 1.00 0.00 H new ATOM 0 HG22 THR A 2 -3.978 1.970 -5.208 1.00 0.00 H new ATOM 0 HG23 THR A 2 -3.993 0.242 -4.785 1.00 0.00 H new ATOM 32 N LEU A 3 -0.925 2.420 -5.030 1.00 0.00 N ATOM 33 CA LEU A 3 -0.389 3.455 -5.907 1.00 0.00 C ATOM 34 C LEU A 3 -1.443 3.921 -6.906 1.00 0.00 C ATOM 35 O LEU A 3 -1.784 3.201 -7.846 1.00 0.00 O ATOM 36 CB LEU A 3 0.841 2.934 -6.652 1.00 0.00 C ATOM 37 CG LEU A 3 2.155 2.947 -5.869 1.00 0.00 C ATOM 38 CD1 LEU A 3 2.496 4.360 -5.423 1.00 0.00 C ATOM 39 CD2 LEU A 3 2.071 2.013 -4.671 1.00 0.00 C ATOM 0 H LEU A 3 -0.654 1.470 -5.284 1.00 0.00 H new ATOM 0 HA LEU A 3 -0.099 4.305 -5.290 1.00 0.00 H new ATOM 0 HB2 LEU A 3 0.641 1.911 -6.971 1.00 0.00 H new ATOM 0 HB3 LEU A 3 0.973 3.530 -7.555 1.00 0.00 H new ATOM 0 HG LEU A 3 2.950 2.593 -6.525 1.00 0.00 H new ATOM 0 HD11 LEU A 3 3.434 4.350 -4.868 1.00 0.00 H new ATOM 0 HD12 LEU A 3 2.599 5.003 -6.297 1.00 0.00 H new ATOM 0 HD13 LEU A 3 1.700 4.742 -4.784 1.00 0.00 H new ATOM 0 HD21 LEU A 3 3.015 2.035 -4.126 1.00 0.00 H new ATOM 0 HD22 LEU A 3 1.264 2.336 -4.013 1.00 0.00 H new ATOM 0 HD23 LEU A 3 1.874 0.997 -5.014 1.00 0.00 H new ATOM 51 N CYS A 4 -1.954 5.130 -6.699 1.00 0.00 N ATOM 52 CA CYS A 4 -2.969 5.693 -7.583 1.00 0.00 C ATOM 53 C CYS A 4 -2.591 7.106 -8.013 1.00 0.00 C ATOM 54 O CYS A 4 -1.627 7.682 -7.509 1.00 0.00 O ATOM 55 CB CYS A 4 -4.331 5.705 -6.887 1.00 0.00 C ATOM 56 SG CYS A 4 -4.299 6.389 -5.214 1.00 0.00 S ATOM 0 H CYS A 4 -1.682 5.739 -5.927 1.00 0.00 H new ATOM 0 HA CYS A 4 -3.030 5.066 -8.473 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -5.031 6.283 -7.491 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -4.714 4.685 -6.844 1.00 0.00 H new ATOM 0 HG CYS A 4 -4.891 5.568 -4.398 1.00 0.00 H new ATOM 62 N ALA A 5 -3.356 7.659 -8.949 1.00 0.00 N ATOM 63 CA ALA A 5 -3.102 9.005 -9.447 1.00 0.00 C ATOM 64 C ALA A 5 -4.358 9.865 -9.369 1.00 0.00 C ATOM 65 O ALA A 5 -5.476 9.350 -9.374 1.00 0.00 O ATOM 66 CB ALA A 5 -2.585 8.950 -10.877 1.00 0.00 C ATOM 0 H ALA A 5 -4.157 7.195 -9.378 1.00 0.00 H new ATOM 0 HA ALA A 5 -2.341 9.462 -8.815 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -2.400 9.962 -11.236 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -1.657 8.379 -10.907 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -3.327 8.469 -11.514 1.00 0.00 H new ATOM 72 N MET A 6 -4.167 11.179 -9.297 1.00 0.00 N ATOM 73 CA MET A 6 -5.286 12.110 -9.219 1.00 0.00 C ATOM 74 C MET A 6 -5.584 12.718 -10.586 1.00 0.00 C ATOM 75 O MET A 6 -4.716 13.334 -11.205 1.00 0.00 O ATOM 76 CB MET A 6 -4.984 13.220 -8.210 1.00 0.00 C ATOM 77 CG MET A 6 -5.444 12.898 -6.797 1.00 0.00 C ATOM 78 SD MET A 6 -4.574 11.487 -6.088 1.00 0.00 S ATOM 79 CE MET A 6 -5.884 10.726 -5.132 1.00 0.00 C ATOM 0 H MET A 6 -3.248 11.622 -9.291 1.00 0.00 H new ATOM 0 HA MET A 6 -6.164 11.556 -8.888 1.00 0.00 H new ATOM 0 HB2 MET A 6 -3.910 13.408 -8.200 1.00 0.00 H new ATOM 0 HB3 MET A 6 -5.466 14.140 -8.539 1.00 0.00 H new ATOM 0 HG2 MET A 6 -5.291 13.771 -6.162 1.00 0.00 H new ATOM 0 HG3 MET A 6 -6.515 12.693 -6.805 1.00 0.00 H new ATOM 0 HE1 MET A 6 -5.613 9.696 -4.898 1.00 0.00 H new ATOM 0 HE2 MET A 6 -6.029 11.282 -4.206 1.00 0.00 H new ATOM 0 HE3 MET A 6 -6.809 10.736 -5.709 1.00 0.00 H new ATOM 89 N TYR A 7 -6.816 12.540 -11.051 1.00 0.00 N ATOM 90 CA TYR A 7 -7.227 13.069 -12.347 1.00 0.00 C ATOM 91 C TYR A 7 -8.195 14.235 -12.176 1.00 0.00 C ATOM 92 O TYR A 7 -9.359 14.045 -11.825 1.00 0.00 O ATOM 93 CB TYR A 7 -7.879 11.969 -13.186 1.00 0.00 C ATOM 94 CG TYR A 7 -7.777 12.203 -14.676 1.00 0.00 C ATOM 95 CD1 TYR A 7 -8.307 13.348 -15.257 1.00 0.00 C ATOM 96 CD2 TYR A 7 -7.150 11.279 -15.503 1.00 0.00 C ATOM 97 CE1 TYR A 7 -8.217 13.567 -16.618 1.00 0.00 C ATOM 98 CE2 TYR A 7 -7.054 11.490 -16.865 1.00 0.00 C ATOM 99 CZ TYR A 7 -7.589 12.635 -17.418 1.00 0.00 C ATOM 100 OH TYR A 7 -7.496 12.847 -18.774 1.00 0.00 O ATOM 0 H TYR A 7 -7.547 12.034 -10.551 1.00 0.00 H new ATOM 0 HA TYR A 7 -6.338 13.431 -12.863 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -7.412 11.014 -12.944 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -8.931 11.889 -12.910 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -8.798 14.080 -14.633 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -6.731 10.381 -15.074 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -8.636 14.462 -17.053 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -6.563 10.762 -17.494 1.00 0.00 H new ATOM 0 HH TYR A 7 -6.567 13.051 -19.010 1.00 0.00 H new ATOM 110 N ASN A 8 -7.704 15.445 -12.429 1.00 0.00 N ATOM 111 CA ASN A 8 -8.525 16.644 -12.304 1.00 0.00 C ATOM 112 C ASN A 8 -9.196 16.984 -13.631 1.00 0.00 C ATOM 113 O ASN A 8 -8.530 17.366 -14.594 1.00 0.00 O ATOM 114 CB ASN A 8 -7.672 17.824 -11.833 1.00 0.00 C ATOM 115 CG ASN A 8 -8.447 18.780 -10.948 1.00 0.00 C ATOM 116 OD1 ASN A 8 -9.183 19.638 -11.436 1.00 0.00 O ATOM 117 ND2 ASN A 8 -8.284 18.637 -9.638 1.00 0.00 N ATOM 0 H ASN A 8 -6.743 15.620 -12.721 1.00 0.00 H new ATOM 0 HA ASN A 8 -9.301 16.448 -11.565 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -6.807 17.448 -11.287 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -7.292 18.363 -12.701 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -8.779 19.252 -8.992 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -7.664 17.912 -9.277 1.00 0.00 H new ATOM 124 N ILE A 9 -10.516 16.844 -13.673 1.00 0.00 N ATOM 125 CA ILE A 9 -11.277 17.139 -14.881 1.00 0.00 C ATOM 126 C ILE A 9 -12.381 18.152 -14.602 1.00 0.00 C ATOM 127 O ILE A 9 -13.245 17.927 -13.755 1.00 0.00 O ATOM 128 CB ILE A 9 -11.904 15.864 -15.476 1.00 0.00 C ATOM 129 CG1 ILE A 9 -12.736 16.208 -16.713 1.00 0.00 C ATOM 130 CG2 ILE A 9 -12.761 15.160 -14.435 1.00 0.00 C ATOM 131 CD1 ILE A 9 -13.377 15.003 -17.365 1.00 0.00 C ATOM 0 H ILE A 9 -11.081 16.528 -12.885 1.00 0.00 H new ATOM 0 HA ILE A 9 -10.575 17.560 -15.601 1.00 0.00 H new ATOM 0 HB ILE A 9 -11.103 15.189 -15.776 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -13.515 16.916 -16.431 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -12.099 16.709 -17.442 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -13.197 14.261 -14.870 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -12.143 14.886 -13.580 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -13.558 15.828 -14.108 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -13.951 15.322 -18.235 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -12.602 14.304 -17.678 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -14.041 14.514 -16.652 1.00 0.00 H new ATOM 143 N SER A 10 -12.347 19.270 -15.321 1.00 0.00 N ATOM 144 CA SER A 10 -13.344 20.320 -15.150 1.00 0.00 C ATOM 145 C SER A 10 -13.900 20.766 -16.499 1.00 0.00 C ATOM 146 O SER A 10 -13.270 21.542 -17.216 1.00 0.00 O ATOM 147 CB SER A 10 -12.734 21.516 -14.416 1.00 0.00 C ATOM 148 OG SER A 10 -11.614 21.123 -13.643 1.00 0.00 O ATOM 0 H SER A 10 -11.639 19.472 -16.028 1.00 0.00 H new ATOM 0 HA SER A 10 -14.163 19.916 -14.555 1.00 0.00 H new ATOM 0 HB2 SER A 10 -12.433 22.275 -15.138 1.00 0.00 H new ATOM 0 HB3 SER A 10 -13.484 21.971 -13.769 1.00 0.00 H new ATOM 0 HG SER A 10 -10.798 21.498 -14.035 1.00 0.00 H new ATOM 154 N MET A 11 -15.086 20.270 -16.836 1.00 0.00 N ATOM 155 CA MET A 11 -15.729 20.618 -18.098 1.00 0.00 C ATOM 156 C MET A 11 -15.818 22.132 -18.263 1.00 0.00 C ATOM 157 O MET A 11 -15.519 22.885 -17.337 1.00 0.00 O ATOM 158 CB MET A 11 -17.127 20.002 -18.170 1.00 0.00 C ATOM 159 CG MET A 11 -17.588 19.705 -19.587 1.00 0.00 C ATOM 160 SD MET A 11 -18.638 18.242 -19.684 1.00 0.00 S ATOM 161 CE MET A 11 -20.176 18.966 -20.248 1.00 0.00 C ATOM 0 H MET A 11 -15.621 19.626 -16.253 1.00 0.00 H new ATOM 0 HA MET A 11 -15.122 20.217 -18.909 1.00 0.00 H new ATOM 0 HB2 MET A 11 -17.138 19.078 -17.592 1.00 0.00 H new ATOM 0 HB3 MET A 11 -17.839 20.681 -17.700 1.00 0.00 H new ATOM 0 HG2 MET A 11 -18.133 20.565 -19.975 1.00 0.00 H new ATOM 0 HG3 MET A 11 -16.717 19.565 -20.227 1.00 0.00 H new ATOM 0 HE1 MET A 11 -20.923 18.182 -20.374 1.00 0.00 H new ATOM 0 HE2 MET A 11 -20.529 19.689 -19.513 1.00 0.00 H new ATOM 0 HE3 MET A 11 -20.014 19.468 -21.202 1.00 0.00 H new ATOM 171 N ALA A 12 -16.232 22.570 -19.447 1.00 0.00 N ATOM 172 CA ALA A 12 -16.362 23.994 -19.732 1.00 0.00 C ATOM 173 C ALA A 12 -17.189 24.694 -18.660 1.00 0.00 C ATOM 174 O ALA A 12 -16.983 25.873 -18.374 1.00 0.00 O ATOM 175 CB ALA A 12 -16.987 24.202 -21.104 1.00 0.00 C ATOM 0 H ALA A 12 -16.483 21.959 -20.225 1.00 0.00 H new ATOM 0 HA ALA A 12 -15.365 24.433 -19.729 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -17.078 25.270 -21.304 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -16.356 23.743 -21.865 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -17.975 23.743 -21.127 1.00 0.00 H new ATOM 181 N GLY A 13 -18.128 23.961 -18.070 1.00 0.00 N ATOM 182 CA GLY A 13 -18.973 24.530 -17.036 1.00 0.00 C ATOM 183 C GLY A 13 -19.627 23.469 -16.173 1.00 0.00 C ATOM 184 O GLY A 13 -20.853 23.368 -16.123 1.00 0.00 O ATOM 0 H GLY A 13 -18.319 22.983 -18.289 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -18.377 25.190 -16.406 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -19.745 25.144 -17.499 1.00 0.00 H new ATOM 188 N SER A 14 -18.807 22.675 -15.492 1.00 0.00 N ATOM 189 CA SER A 14 -19.313 21.613 -14.630 1.00 0.00 C ATOM 190 C SER A 14 -18.474 21.497 -13.361 1.00 0.00 C ATOM 191 O SER A 14 -18.522 20.485 -12.661 1.00 0.00 O ATOM 192 CB SER A 14 -19.314 20.278 -15.378 1.00 0.00 C ATOM 193 OG SER A 14 -20.068 20.364 -16.574 1.00 0.00 O ATOM 0 H SER A 14 -17.790 22.747 -15.520 1.00 0.00 H new ATOM 0 HA SER A 14 -20.335 21.864 -14.347 1.00 0.00 H new ATOM 0 HB2 SER A 14 -18.290 19.987 -15.610 1.00 0.00 H new ATOM 0 HB3 SER A 14 -19.729 19.499 -14.738 1.00 0.00 H new ATOM 0 HG SER A 14 -20.052 19.499 -17.034 1.00 0.00 H new ATOM 199 N HIS A 15 -17.706 22.542 -13.070 1.00 0.00 N ATOM 200 CA HIS A 15 -16.856 22.559 -11.884 1.00 0.00 C ATOM 201 C HIS A 15 -15.801 21.460 -11.956 1.00 0.00 C ATOM 202 O HIS A 15 -15.927 20.493 -12.708 1.00 0.00 O ATOM 203 CB HIS A 15 -17.702 22.388 -10.622 1.00 0.00 C ATOM 204 CG HIS A 15 -17.918 23.664 -9.868 1.00 0.00 C ATOM 205 ND1 HIS A 15 -17.645 23.799 -8.523 1.00 0.00 N ATOM 206 CD2 HIS A 15 -18.381 24.868 -10.278 1.00 0.00 C ATOM 207 CE1 HIS A 15 -17.933 25.029 -8.138 1.00 0.00 C ATOM 208 NE2 HIS A 15 -18.381 25.699 -9.185 1.00 0.00 N ATOM 0 H HIS A 15 -17.654 23.387 -13.638 1.00 0.00 H new ATOM 0 HA HIS A 15 -16.349 23.523 -11.845 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -18.670 21.970 -10.898 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -17.218 21.665 -9.965 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -18.693 25.127 -11.279 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -17.821 25.421 -7.138 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -18.678 26.675 -9.182 1.00 0.00 H new ATOM 216 N PRO A 16 -14.734 21.611 -11.157 1.00 0.00 N ATOM 217 CA PRO A 16 -13.635 20.641 -11.113 1.00 0.00 C ATOM 218 C PRO A 16 -14.052 19.322 -10.472 1.00 0.00 C ATOM 219 O PRO A 16 -14.799 19.304 -9.493 1.00 0.00 O ATOM 220 CB PRO A 16 -12.578 21.341 -10.256 1.00 0.00 C ATOM 221 CG PRO A 16 -13.349 22.289 -9.403 1.00 0.00 C ATOM 222 CD PRO A 16 -14.517 22.738 -10.236 1.00 0.00 C ATOM 0 HA PRO A 16 -13.286 20.375 -12.111 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -12.022 20.625 -9.650 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -11.851 21.867 -10.875 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -13.686 21.804 -8.487 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -12.732 23.137 -9.106 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -15.397 22.931 -9.623 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -14.296 23.660 -10.774 1.00 0.00 H new ATOM 230 N THR A 17 -13.565 18.217 -11.029 1.00 0.00 N ATOM 231 CA THR A 17 -13.888 16.894 -10.512 1.00 0.00 C ATOM 232 C THR A 17 -12.627 16.061 -10.306 1.00 0.00 C ATOM 233 O THR A 17 -11.904 15.765 -11.258 1.00 0.00 O ATOM 234 CB THR A 17 -14.840 16.138 -11.458 1.00 0.00 C ATOM 235 OG1 THR A 17 -16.076 16.850 -11.581 1.00 0.00 O ATOM 236 CG2 THR A 17 -15.108 14.731 -10.945 1.00 0.00 C ATOM 0 H THR A 17 -12.945 18.213 -11.839 1.00 0.00 H new ATOM 0 HA THR A 17 -14.383 17.042 -9.552 1.00 0.00 H new ATOM 0 HB THR A 17 -14.364 16.066 -12.436 1.00 0.00 H new ATOM 0 HG1 THR A 17 -16.675 16.364 -12.185 1.00 0.00 H new ATOM 0 HG21 THR A 17 -15.783 14.217 -11.629 1.00 0.00 H new ATOM 0 HG22 THR A 17 -14.169 14.182 -10.881 1.00 0.00 H new ATOM 0 HG23 THR A 17 -15.565 14.785 -9.957 1.00 0.00 H new ATOM 244 N THR A 18 -12.369 15.686 -9.058 1.00 0.00 N ATOM 245 CA THR A 18 -11.195 14.888 -8.727 1.00 0.00 C ATOM 246 C THR A 18 -11.484 13.398 -8.873 1.00 0.00 C ATOM 247 O THR A 18 -12.187 12.809 -8.052 1.00 0.00 O ATOM 248 CB THR A 18 -10.712 15.167 -7.291 1.00 0.00 C ATOM 249 OG1 THR A 18 -11.023 16.515 -6.923 1.00 0.00 O ATOM 250 CG2 THR A 18 -9.213 14.936 -7.170 1.00 0.00 C ATOM 0 H THR A 18 -12.957 15.922 -8.259 1.00 0.00 H new ATOM 0 HA THR A 18 -10.411 15.174 -9.428 1.00 0.00 H new ATOM 0 HB THR A 18 -11.225 14.480 -6.618 1.00 0.00 H new ATOM 0 HG1 THR A 18 -10.714 16.684 -6.008 1.00 0.00 H new ATOM 0 HG21 THR A 18 -8.895 15.139 -6.147 1.00 0.00 H new ATOM 0 HG22 THR A 18 -8.983 13.901 -7.423 1.00 0.00 H new ATOM 0 HG23 THR A 18 -8.686 15.602 -7.853 1.00 0.00 H new ATOM 258 N ILE A 19 -10.937 12.795 -9.923 1.00 0.00 N ATOM 259 CA ILE A 19 -11.135 11.373 -10.175 1.00 0.00 C ATOM 260 C ILE A 19 -9.869 10.579 -9.870 1.00 0.00 C ATOM 261 O ILE A 19 -8.887 10.649 -10.610 1.00 0.00 O ATOM 262 CB ILE A 19 -11.551 11.112 -11.635 1.00 0.00 C ATOM 263 CG1 ILE A 19 -12.628 12.110 -12.066 1.00 0.00 C ATOM 264 CG2 ILE A 19 -12.050 9.684 -11.797 1.00 0.00 C ATOM 265 CD1 ILE A 19 -13.085 11.925 -13.497 1.00 0.00 C ATOM 0 H ILE A 19 -10.354 13.269 -10.613 1.00 0.00 H new ATOM 0 HA ILE A 19 -11.936 11.044 -9.513 1.00 0.00 H new ATOM 0 HB ILE A 19 -10.679 11.246 -12.275 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -13.488 12.013 -11.403 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -12.244 13.123 -11.944 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -12.340 9.515 -12.834 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -11.257 8.988 -11.524 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -12.911 9.524 -11.149 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -13.849 12.666 -13.734 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -12.236 12.051 -14.169 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -13.500 10.925 -13.620 1.00 0.00 H new ATOM 277 N CYS A 20 -9.901 9.823 -8.778 1.00 0.00 N ATOM 278 CA CYS A 20 -8.756 9.014 -8.376 1.00 0.00 C ATOM 279 C CYS A 20 -8.739 7.685 -9.124 1.00 0.00 C ATOM 280 O CYS A 20 -9.659 6.877 -8.997 1.00 0.00 O ATOM 281 CB CYS A 20 -8.788 8.763 -6.867 1.00 0.00 C ATOM 282 SG CYS A 20 -7.510 7.625 -6.281 1.00 0.00 S ATOM 0 H CYS A 20 -10.706 9.753 -8.156 1.00 0.00 H new ATOM 0 HA CYS A 20 -7.848 9.563 -8.627 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -8.677 9.715 -6.349 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -9.766 8.365 -6.596 1.00 0.00 H new ATOM 0 HG CYS A 20 -7.617 7.478 -4.994 1.00 0.00 H new ATOM 288 N VAL A 21 -7.687 7.466 -9.906 1.00 0.00 N ATOM 289 CA VAL A 21 -7.550 6.235 -10.677 1.00 0.00 C ATOM 290 C VAL A 21 -6.200 5.574 -10.421 1.00 0.00 C ATOM 291 O VAL A 21 -5.159 6.232 -10.447 1.00 0.00 O ATOM 292 CB VAL A 21 -7.703 6.498 -12.186 1.00 0.00 C ATOM 293 CG1 VAL A 21 -7.753 5.186 -12.955 1.00 0.00 C ATOM 294 CG2 VAL A 21 -8.946 7.332 -12.458 1.00 0.00 C ATOM 0 H VAL A 21 -6.917 8.125 -10.023 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.346 5.566 -10.350 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.834 7.060 -12.529 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.861 5.392 -14.020 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.831 4.629 -12.785 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -8.602 4.595 -12.612 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.038 7.508 -13.530 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.827 6.799 -12.101 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -8.864 8.287 -11.939 1.00 0.00 H new ATOM 304 N VAL A 22 -6.224 4.268 -10.174 1.00 0.00 N ATOM 305 CA VAL A 22 -5.001 3.517 -9.915 1.00 0.00 C ATOM 306 C VAL A 22 -3.966 3.758 -11.009 1.00 0.00 C ATOM 307 O VAL A 22 -4.311 3.922 -12.178 1.00 0.00 O ATOM 308 CB VAL A 22 -5.282 2.006 -9.814 1.00 0.00 C ATOM 309 CG1 VAL A 22 -4.024 1.255 -9.406 1.00 0.00 C ATOM 310 CG2 VAL A 22 -6.414 1.740 -8.833 1.00 0.00 C ATOM 0 H VAL A 22 -7.076 3.708 -10.148 1.00 0.00 H new ATOM 0 HA VAL A 22 -4.608 3.871 -8.962 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.589 1.644 -10.795 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.242 0.189 -9.340 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.244 1.420 -10.149 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.683 1.617 -8.436 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.600 0.668 -8.774 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -6.137 2.115 -7.848 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.317 2.246 -9.174 1.00 0.00 H new ATOM 320 N MET A 23 -2.696 3.777 -10.619 1.00 0.00 N ATOM 321 CA MET A 23 -1.610 3.996 -11.567 1.00 0.00 C ATOM 322 C MET A 23 -1.677 2.992 -12.713 1.00 0.00 C ATOM 323 O MET A 23 -1.286 3.295 -13.840 1.00 0.00 O ATOM 324 CB MET A 23 -0.257 3.889 -10.859 1.00 0.00 C ATOM 325 CG MET A 23 0.928 4.175 -11.767 1.00 0.00 C ATOM 326 SD MET A 23 2.392 3.223 -11.319 1.00 0.00 S ATOM 327 CE MET A 23 2.638 2.260 -12.809 1.00 0.00 C ATOM 0 H MET A 23 -2.394 3.644 -9.654 1.00 0.00 H new ATOM 0 HA MET A 23 -1.719 4.999 -11.979 1.00 0.00 H new ATOM 0 HB2 MET A 23 -0.239 4.586 -10.021 1.00 0.00 H new ATOM 0 HB3 MET A 23 -0.152 2.887 -10.443 1.00 0.00 H new ATOM 0 HG2 MET A 23 0.654 3.949 -12.798 1.00 0.00 H new ATOM 0 HG3 MET A 23 1.164 5.238 -11.726 1.00 0.00 H new ATOM 0 HE1 MET A 23 3.510 1.618 -12.687 1.00 0.00 H new ATOM 0 HE2 MET A 23 1.758 1.645 -12.994 1.00 0.00 H new ATOM 0 HE3 MET A 23 2.796 2.931 -13.654 1.00 0.00 H new ATOM 337 N ASP A 24 -2.176 1.796 -12.418 1.00 0.00 N ATOM 338 CA ASP A 24 -2.295 0.748 -13.424 1.00 0.00 C ATOM 339 C ASP A 24 -3.380 1.091 -14.440 1.00 0.00 C ATOM 340 O ASP A 24 -3.327 0.657 -15.591 1.00 0.00 O ATOM 341 CB ASP A 24 -2.608 -0.594 -12.759 1.00 0.00 C ATOM 342 CG ASP A 24 -2.126 -1.773 -13.580 1.00 0.00 C ATOM 343 OD1 ASP A 24 -1.510 -1.544 -14.642 1.00 0.00 O ATOM 344 OD2 ASP A 24 -2.366 -2.926 -13.162 1.00 0.00 O ATOM 0 H ASP A 24 -2.504 1.529 -11.490 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.342 0.672 -13.948 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.142 -0.626 -11.774 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.684 -0.678 -12.605 1.00 0.00 H new ATOM 349 N ARG A 25 -4.364 1.872 -14.006 1.00 0.00 N ATOM 350 CA ARG A 25 -5.463 2.271 -14.877 1.00 0.00 C ATOM 351 C ARG A 25 -5.386 3.760 -15.201 1.00 0.00 C ATOM 352 O ARG A 25 -6.356 4.354 -15.675 1.00 0.00 O ATOM 353 CB ARG A 25 -6.806 1.950 -14.219 1.00 0.00 C ATOM 354 CG ARG A 25 -7.177 0.477 -14.279 1.00 0.00 C ATOM 355 CD ARG A 25 -7.616 0.069 -15.677 1.00 0.00 C ATOM 356 NE ARG A 25 -8.210 -1.265 -15.696 1.00 0.00 N ATOM 357 CZ ARG A 25 -8.916 -1.740 -16.717 1.00 0.00 C ATOM 358 NH1 ARG A 25 -9.113 -0.995 -17.795 1.00 0.00 N ATOM 359 NH2 ARG A 25 -9.425 -2.964 -16.660 1.00 0.00 N ATOM 0 H ARG A 25 -4.423 2.241 -13.057 1.00 0.00 H new ATOM 0 HA ARG A 25 -5.379 1.709 -15.807 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.775 2.266 -13.176 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -7.588 2.533 -14.706 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -6.323 -0.127 -13.974 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -7.980 0.274 -13.571 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -8.338 0.793 -16.056 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.758 0.093 -16.348 1.00 0.00 H new ATOM 0 HE ARG A 25 -8.076 -1.865 -14.882 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -8.722 -0.054 -17.843 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -9.655 -1.363 -18.577 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -9.275 -3.541 -15.832 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -9.967 -3.328 -17.444 1.00 0.00 H new ATOM 373 N PHE A 26 -4.228 4.358 -14.942 1.00 0.00 N ATOM 374 CA PHE A 26 -4.025 5.778 -15.205 1.00 0.00 C ATOM 375 C PHE A 26 -4.084 6.069 -16.701 1.00 0.00 C ATOM 376 O PHE A 26 -4.883 6.890 -17.155 1.00 0.00 O ATOM 377 CB PHE A 26 -2.680 6.236 -14.638 1.00 0.00 C ATOM 378 CG PHE A 26 -2.308 7.637 -15.032 1.00 0.00 C ATOM 379 CD1 PHE A 26 -2.756 8.720 -14.294 1.00 0.00 C ATOM 380 CD2 PHE A 26 -1.511 7.870 -16.141 1.00 0.00 C ATOM 381 CE1 PHE A 26 -2.416 10.010 -14.656 1.00 0.00 C ATOM 382 CE2 PHE A 26 -1.168 9.158 -16.508 1.00 0.00 C ATOM 383 CZ PHE A 26 -1.620 10.229 -15.763 1.00 0.00 C ATOM 0 H PHE A 26 -3.416 3.881 -14.550 1.00 0.00 H new ATOM 0 HA PHE A 26 -4.826 6.330 -14.714 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -2.712 6.169 -13.550 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -1.901 5.553 -14.976 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -3.378 8.555 -13.426 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.153 7.035 -16.726 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -2.773 10.846 -14.073 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.548 9.326 -17.376 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.352 11.236 -16.046 1.00 0.00 H new ATOM 393 N LEU A 27 -3.234 5.390 -17.464 1.00 0.00 N ATOM 394 CA LEU A 27 -3.187 5.575 -18.910 1.00 0.00 C ATOM 395 C LEU A 27 -4.549 5.296 -19.538 1.00 0.00 C ATOM 396 O LEU A 27 -5.005 6.038 -20.407 1.00 0.00 O ATOM 397 CB LEU A 27 -2.131 4.657 -19.528 1.00 0.00 C ATOM 398 CG LEU A 27 -2.140 4.554 -21.053 1.00 0.00 C ATOM 399 CD1 LEU A 27 -2.308 5.929 -21.680 1.00 0.00 C ATOM 400 CD2 LEU A 27 -0.864 3.891 -21.551 1.00 0.00 C ATOM 0 H LEU A 27 -2.568 4.706 -17.105 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.919 6.612 -19.110 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.147 5.005 -19.213 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.262 3.657 -19.116 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.987 3.936 -21.351 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.312 5.836 -22.766 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.250 6.367 -21.350 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.482 6.572 -21.374 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.888 3.826 -22.639 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.002 4.482 -21.242 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.786 2.889 -21.130 1.00 0.00 H new ATOM 412 N GLU A 28 -5.194 4.223 -19.090 1.00 0.00 N ATOM 413 CA GLU A 28 -6.504 3.848 -19.608 1.00 0.00 C ATOM 414 C GLU A 28 -7.522 4.961 -19.370 1.00 0.00 C ATOM 415 O GLU A 28 -8.221 5.384 -20.291 1.00 0.00 O ATOM 416 CB GLU A 28 -6.985 2.553 -18.951 1.00 0.00 C ATOM 417 CG GLU A 28 -6.135 1.342 -19.298 1.00 0.00 C ATOM 418 CD GLU A 28 -6.569 0.674 -20.588 1.00 0.00 C ATOM 419 OE1 GLU A 28 -6.270 1.220 -21.670 1.00 0.00 O ATOM 420 OE2 GLU A 28 -7.209 -0.396 -20.514 1.00 0.00 O ATOM 0 H GLU A 28 -4.830 3.599 -18.370 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.410 3.689 -20.682 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.990 2.685 -17.869 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -8.015 2.363 -19.254 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.092 1.648 -19.385 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -6.189 0.620 -18.483 1.00 0.00 H new ATOM 427 N SER A 29 -7.599 5.429 -18.129 1.00 0.00 N ATOM 428 CA SER A 29 -8.533 6.488 -17.768 1.00 0.00 C ATOM 429 C SER A 29 -8.340 7.710 -18.661 1.00 0.00 C ATOM 430 O SER A 29 -9.301 8.251 -19.208 1.00 0.00 O ATOM 431 CB SER A 29 -8.350 6.881 -16.300 1.00 0.00 C ATOM 432 OG SER A 29 -8.719 8.232 -16.084 1.00 0.00 O ATOM 0 H SER A 29 -7.025 5.091 -17.356 1.00 0.00 H new ATOM 0 HA SER A 29 -9.545 6.110 -17.912 1.00 0.00 H new ATOM 0 HB2 SER A 29 -8.954 6.230 -15.668 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.310 6.733 -16.008 1.00 0.00 H new ATOM 0 HG SER A 29 -7.913 8.775 -15.959 1.00 0.00 H new ATOM 438 N PHE A 30 -7.091 8.140 -18.803 1.00 0.00 N ATOM 439 CA PHE A 30 -6.771 9.298 -19.629 1.00 0.00 C ATOM 440 C PHE A 30 -7.164 9.056 -21.083 1.00 0.00 C ATOM 441 O PHE A 30 -7.710 9.938 -21.745 1.00 0.00 O ATOM 442 CB PHE A 30 -5.277 9.617 -19.540 1.00 0.00 C ATOM 443 CG PHE A 30 -4.914 10.954 -20.120 1.00 0.00 C ATOM 444 CD1 PHE A 30 -4.729 11.105 -21.485 1.00 0.00 C ATOM 445 CD2 PHE A 30 -4.755 12.060 -19.301 1.00 0.00 C ATOM 446 CE1 PHE A 30 -4.396 12.333 -22.023 1.00 0.00 C ATOM 447 CE2 PHE A 30 -4.422 13.291 -19.833 1.00 0.00 C ATOM 448 CZ PHE A 30 -4.241 13.428 -21.195 1.00 0.00 C ATOM 0 H PHE A 30 -6.284 7.704 -18.357 1.00 0.00 H new ATOM 0 HA PHE A 30 -7.341 10.148 -19.254 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -4.969 9.588 -18.495 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -4.716 8.840 -20.060 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -4.847 10.252 -22.137 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -4.893 11.959 -18.235 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.257 12.437 -23.089 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -4.303 14.146 -19.184 1.00 0.00 H new ATOM 0 HZ PHE A 30 -3.979 14.389 -21.612 1.00 0.00 H new ATOM 458 N SER A 31 -6.882 7.853 -21.573 1.00 0.00 N ATOM 459 CA SER A 31 -7.202 7.494 -22.950 1.00 0.00 C ATOM 460 C SER A 31 -8.689 7.690 -23.231 1.00 0.00 C ATOM 461 O SER A 31 -9.067 8.314 -24.222 1.00 0.00 O ATOM 462 CB SER A 31 -6.807 6.042 -23.226 1.00 0.00 C ATOM 463 OG SER A 31 -6.480 5.854 -24.592 1.00 0.00 O ATOM 0 H SER A 31 -6.433 7.110 -21.037 1.00 0.00 H new ATOM 0 HA SER A 31 -6.635 8.149 -23.611 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.955 5.769 -22.604 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.628 5.380 -22.951 1.00 0.00 H new ATOM 0 HG SER A 31 -6.229 4.919 -24.743 1.00 0.00 H new ATOM 469 N GLU A 32 -9.527 7.152 -22.350 1.00 0.00 N ATOM 470 CA GLU A 32 -10.973 7.266 -22.504 1.00 0.00 C ATOM 471 C GLU A 32 -11.428 8.710 -22.310 1.00 0.00 C ATOM 472 O GLU A 32 -12.376 9.165 -22.951 1.00 0.00 O ATOM 473 CB GLU A 32 -11.688 6.356 -21.503 1.00 0.00 C ATOM 474 CG GLU A 32 -13.105 5.994 -21.915 1.00 0.00 C ATOM 475 CD GLU A 32 -13.151 4.829 -22.884 1.00 0.00 C ATOM 476 OE1 GLU A 32 -12.071 4.369 -23.309 1.00 0.00 O ATOM 477 OE2 GLU A 32 -14.266 4.377 -23.217 1.00 0.00 O ATOM 0 H GLU A 32 -9.230 6.634 -21.523 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.231 6.954 -23.516 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.109 5.441 -21.379 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.716 6.849 -20.531 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -13.686 5.746 -21.026 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -13.579 6.862 -22.373 1.00 0.00 H new ATOM 484 N LEU A 33 -10.745 9.425 -21.423 1.00 0.00 N ATOM 485 CA LEU A 33 -11.078 10.818 -21.144 1.00 0.00 C ATOM 486 C LEU A 33 -10.927 11.675 -22.396 1.00 0.00 C ATOM 487 O LEU A 33 -11.766 12.531 -22.679 1.00 0.00 O ATOM 488 CB LEU A 33 -10.184 11.362 -20.028 1.00 0.00 C ATOM 489 CG LEU A 33 -10.763 12.515 -19.206 1.00 0.00 C ATOM 490 CD1 LEU A 33 -10.989 13.736 -20.084 1.00 0.00 C ATOM 491 CD2 LEU A 33 -12.061 12.091 -18.535 1.00 0.00 C ATOM 0 H LEU A 33 -9.958 9.064 -20.885 1.00 0.00 H new ATOM 0 HA LEU A 33 -12.118 10.860 -20.821 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.945 10.543 -19.350 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.245 11.694 -20.471 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.045 12.779 -18.430 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -11.401 14.546 -19.482 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.041 14.053 -20.518 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.688 13.486 -20.882 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -12.459 12.923 -17.954 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -12.785 11.800 -19.296 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.870 11.246 -17.874 1.00 0.00 H new ATOM 503 N TYR A 34 -9.854 11.439 -23.143 1.00 0.00 N ATOM 504 CA TYR A 34 -9.594 12.190 -24.365 1.00 0.00 C ATOM 505 C TYR A 34 -10.738 12.026 -25.360 1.00 0.00 C ATOM 506 O TYR A 34 -10.917 12.848 -26.259 1.00 0.00 O ATOM 507 CB TYR A 34 -8.280 11.730 -25.001 1.00 0.00 C ATOM 508 CG TYR A 34 -8.102 12.198 -26.427 1.00 0.00 C ATOM 509 CD1 TYR A 34 -7.993 13.551 -26.727 1.00 0.00 C ATOM 510 CD2 TYR A 34 -8.043 11.288 -27.476 1.00 0.00 C ATOM 511 CE1 TYR A 34 -7.831 13.983 -28.029 1.00 0.00 C ATOM 512 CE2 TYR A 34 -7.879 11.711 -28.780 1.00 0.00 C ATOM 513 CZ TYR A 34 -7.774 13.059 -29.052 1.00 0.00 C ATOM 514 OH TYR A 34 -7.612 13.485 -30.351 1.00 0.00 O ATOM 0 H TYR A 34 -9.151 10.734 -22.924 1.00 0.00 H new ATOM 0 HA TYR A 34 -9.514 13.245 -24.103 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.447 12.097 -24.400 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -8.236 10.641 -24.976 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -8.036 14.277 -25.928 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -8.127 10.232 -27.267 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -7.749 15.038 -28.245 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -7.833 10.990 -29.583 1.00 0.00 H new ATOM 0 HH TYR A 34 -7.591 12.709 -30.949 1.00 0.00 H new ATOM 524 N ASP A 35 -11.510 10.958 -25.192 1.00 0.00 N ATOM 525 CA ASP A 35 -12.640 10.685 -26.074 1.00 0.00 C ATOM 526 C ASP A 35 -13.906 11.362 -25.560 1.00 0.00 C ATOM 527 O ASP A 35 -14.522 12.163 -26.263 1.00 0.00 O ATOM 528 CB ASP A 35 -12.866 9.177 -26.195 1.00 0.00 C ATOM 529 CG ASP A 35 -12.541 8.653 -27.581 1.00 0.00 C ATOM 530 OD1 ASP A 35 -11.357 8.352 -27.839 1.00 0.00 O ATOM 531 OD2 ASP A 35 -13.472 8.543 -28.406 1.00 0.00 O ATOM 0 H ASP A 35 -11.375 10.267 -24.454 1.00 0.00 H new ATOM 0 HA ASP A 35 -12.408 11.090 -27.059 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -12.249 8.660 -25.460 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -13.905 8.948 -25.957 1.00 0.00 H new ATOM 536 N ILE A 36 -14.290 11.033 -24.331 1.00 0.00 N ATOM 537 CA ILE A 36 -15.483 11.609 -23.723 1.00 0.00 C ATOM 538 C ILE A 36 -15.381 13.129 -23.646 1.00 0.00 C ATOM 539 O ILE A 36 -16.381 13.835 -23.776 1.00 0.00 O ATOM 540 CB ILE A 36 -15.721 11.049 -22.308 1.00 0.00 C ATOM 541 CG1 ILE A 36 -17.039 11.580 -21.741 1.00 0.00 C ATOM 542 CG2 ILE A 36 -14.560 11.411 -21.393 1.00 0.00 C ATOM 543 CD1 ILE A 36 -17.397 10.993 -20.394 1.00 0.00 C ATOM 0 H ILE A 36 -13.792 10.370 -23.737 1.00 0.00 H new ATOM 0 HA ILE A 36 -16.325 11.335 -24.359 1.00 0.00 H new ATOM 0 HB ILE A 36 -15.785 9.963 -22.369 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -16.976 12.664 -21.650 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -17.841 11.365 -22.447 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -14.743 11.008 -20.397 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -13.637 10.989 -21.791 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -14.467 12.495 -21.335 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -18.343 11.414 -20.053 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -17.493 9.911 -20.483 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -16.614 11.230 -19.674 1.00 0.00 H new ATOM 555 N ILE A 37 -14.167 13.625 -23.435 1.00 0.00 N ATOM 556 CA ILE A 37 -13.934 15.061 -23.344 1.00 0.00 C ATOM 557 C ILE A 37 -14.308 15.762 -24.645 1.00 0.00 C ATOM 558 O ILE A 37 -14.669 16.939 -24.646 1.00 0.00 O ATOM 559 CB ILE A 37 -12.463 15.373 -23.010 1.00 0.00 C ATOM 560 CG1 ILE A 37 -12.313 16.835 -22.585 1.00 0.00 C ATOM 561 CG2 ILE A 37 -11.573 15.068 -24.205 1.00 0.00 C ATOM 562 CD1 ILE A 37 -12.359 17.038 -21.087 1.00 0.00 C ATOM 0 H ILE A 37 -13.329 13.054 -23.324 1.00 0.00 H new ATOM 0 HA ILE A 37 -14.567 15.433 -22.539 1.00 0.00 H new ATOM 0 HB ILE A 37 -12.152 14.740 -22.179 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -11.367 17.220 -22.967 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -13.106 17.422 -23.047 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -10.537 15.293 -23.954 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -11.662 14.013 -24.465 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -11.882 15.678 -25.054 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -12.246 18.098 -20.860 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -13.315 16.684 -20.701 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -11.549 16.479 -20.619 1.00 0.00 H new ATOM 574 N ASP A 38 -14.220 15.031 -25.751 1.00 0.00 N ATOM 575 CA ASP A 38 -14.552 15.582 -27.060 1.00 0.00 C ATOM 576 C ASP A 38 -16.010 16.030 -27.107 1.00 0.00 C ATOM 577 O ASP A 38 -16.374 16.907 -27.889 1.00 0.00 O ATOM 578 CB ASP A 38 -14.288 14.547 -28.154 1.00 0.00 C ATOM 579 CG ASP A 38 -14.252 15.164 -29.538 1.00 0.00 C ATOM 580 OD1 ASP A 38 -15.301 15.672 -29.989 1.00 0.00 O ATOM 581 OD2 ASP A 38 -13.176 15.140 -30.171 1.00 0.00 O ATOM 0 H ASP A 38 -13.922 14.056 -25.767 1.00 0.00 H new ATOM 0 HA ASP A 38 -13.918 16.452 -27.233 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -13.339 14.048 -27.957 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -15.063 13.782 -28.121 1.00 0.00 H new ATOM 586 N GLU A 39 -16.839 15.420 -26.266 1.00 0.00 N ATOM 587 CA GLU A 39 -18.257 15.755 -26.214 1.00 0.00 C ATOM 588 C GLU A 39 -18.570 16.605 -24.986 1.00 0.00 C ATOM 589 O GLU A 39 -17.767 16.695 -24.059 1.00 0.00 O ATOM 590 CB GLU A 39 -19.105 14.481 -26.196 1.00 0.00 C ATOM 591 CG GLU A 39 -20.554 14.709 -26.589 1.00 0.00 C ATOM 592 CD GLU A 39 -20.692 15.436 -27.913 1.00 0.00 C ATOM 593 OE1 GLU A 39 -20.293 14.863 -28.949 1.00 0.00 O ATOM 594 OE2 GLU A 39 -21.199 16.577 -27.913 1.00 0.00 O ATOM 0 H GLU A 39 -16.553 14.692 -25.612 1.00 0.00 H new ATOM 0 HA GLU A 39 -18.501 16.332 -27.106 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -18.664 13.751 -26.875 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -19.072 14.047 -25.197 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -21.065 13.748 -26.651 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -21.052 15.285 -25.809 1.00 0.00 H new ATOM 601 N ASN A 40 -19.744 17.229 -24.990 1.00 0.00 N ATOM 602 CA ASN A 40 -20.164 18.074 -23.878 1.00 0.00 C ATOM 603 C ASN A 40 -21.345 17.452 -23.138 1.00 0.00 C ATOM 604 O ASN A 40 -22.314 18.136 -22.809 1.00 0.00 O ATOM 605 CB ASN A 40 -20.541 19.468 -24.383 1.00 0.00 C ATOM 606 CG ASN A 40 -21.387 19.418 -25.640 1.00 0.00 C ATOM 607 OD1 ASN A 40 -20.874 19.205 -26.739 1.00 0.00 O ATOM 608 ND2 ASN A 40 -22.691 19.615 -25.484 1.00 0.00 N ATOM 0 H ASN A 40 -20.421 17.165 -25.751 1.00 0.00 H new ATOM 0 HA ASN A 40 -19.328 18.160 -23.184 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -21.086 19.999 -23.603 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -19.633 20.037 -24.582 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -23.311 19.593 -26.294 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -23.073 19.788 -24.554 1.00 0.00 H new ATOM 615 N ASP A 41 -21.256 16.152 -22.881 1.00 0.00 N ATOM 616 CA ASP A 41 -22.316 15.438 -22.179 1.00 0.00 C ATOM 617 C ASP A 41 -22.022 15.361 -20.684 1.00 0.00 C ATOM 618 O ASP A 41 -21.109 14.654 -20.255 1.00 0.00 O ATOM 619 CB ASP A 41 -22.478 14.029 -22.753 1.00 0.00 C ATOM 620 CG ASP A 41 -23.424 13.992 -23.937 1.00 0.00 C ATOM 621 OD1 ASP A 41 -23.487 14.995 -24.677 1.00 0.00 O ATOM 622 OD2 ASP A 41 -24.102 12.959 -24.123 1.00 0.00 O ATOM 0 H ASP A 41 -20.461 15.571 -23.148 1.00 0.00 H new ATOM 0 HA ASP A 41 -23.246 15.989 -22.320 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -21.503 13.650 -23.059 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -22.849 13.363 -21.974 1.00 0.00 H new ATOM 627 N THR A 42 -22.800 16.093 -19.894 1.00 0.00 N ATOM 628 CA THR A 42 -22.622 16.110 -18.448 1.00 0.00 C ATOM 629 C THR A 42 -23.362 14.951 -17.789 1.00 0.00 C ATOM 630 O THR A 42 -23.041 14.554 -16.669 1.00 0.00 O ATOM 631 CB THR A 42 -23.117 17.434 -17.836 1.00 0.00 C ATOM 632 OG1 THR A 42 -22.534 18.543 -18.529 1.00 0.00 O ATOM 633 CG2 THR A 42 -22.766 17.512 -16.358 1.00 0.00 C ATOM 0 H THR A 42 -23.561 16.683 -20.232 1.00 0.00 H new ATOM 0 HA THR A 42 -21.553 16.009 -18.260 1.00 0.00 H new ATOM 0 HB THR A 42 -24.202 17.472 -17.938 1.00 0.00 H new ATOM 0 HG1 THR A 42 -22.855 19.381 -18.135 1.00 0.00 H new ATOM 0 HG21 THR A 42 -23.126 18.456 -15.948 1.00 0.00 H new ATOM 0 HG22 THR A 42 -23.236 16.683 -15.828 1.00 0.00 H new ATOM 0 HG23 THR A 42 -21.684 17.453 -16.237 1.00 0.00 H new ATOM 641 N ASP A 43 -24.352 14.412 -18.492 1.00 0.00 N ATOM 642 CA ASP A 43 -25.136 13.296 -17.975 1.00 0.00 C ATOM 643 C ASP A 43 -24.292 12.028 -17.898 1.00 0.00 C ATOM 644 O ASP A 43 -24.523 11.167 -17.049 1.00 0.00 O ATOM 645 CB ASP A 43 -26.362 13.055 -18.858 1.00 0.00 C ATOM 646 CG ASP A 43 -25.998 12.446 -20.198 1.00 0.00 C ATOM 647 OD1 ASP A 43 -25.458 13.176 -21.056 1.00 0.00 O ATOM 648 OD2 ASP A 43 -26.254 11.239 -20.390 1.00 0.00 O ATOM 0 H ASP A 43 -24.631 14.729 -19.420 1.00 0.00 H new ATOM 0 HA ASP A 43 -25.467 13.552 -16.968 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -27.057 12.395 -18.338 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -26.881 14.000 -19.020 1.00 0.00 H new ATOM 653 N VAL A 44 -23.313 11.920 -18.790 1.00 0.00 N ATOM 654 CA VAL A 44 -22.434 10.757 -18.823 1.00 0.00 C ATOM 655 C VAL A 44 -21.206 10.972 -17.945 1.00 0.00 C ATOM 656 O VAL A 44 -20.540 10.016 -17.548 1.00 0.00 O ATOM 657 CB VAL A 44 -21.976 10.440 -20.259 1.00 0.00 C ATOM 658 CG1 VAL A 44 -21.063 11.538 -20.783 1.00 0.00 C ATOM 659 CG2 VAL A 44 -21.281 9.088 -20.310 1.00 0.00 C ATOM 0 H VAL A 44 -23.108 12.624 -19.500 1.00 0.00 H new ATOM 0 HA VAL A 44 -23.009 9.914 -18.439 1.00 0.00 H new ATOM 0 HB VAL A 44 -22.856 10.395 -20.901 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -20.750 11.297 -21.799 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -21.599 12.487 -20.784 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -20.185 11.618 -20.142 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -20.964 8.880 -21.332 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -20.409 9.102 -19.656 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -21.971 8.312 -19.979 1.00 0.00 H new ATOM 669 N MET A 45 -20.912 12.233 -17.647 1.00 0.00 N ATOM 670 CA MET A 45 -19.764 12.573 -16.814 1.00 0.00 C ATOM 671 C MET A 45 -19.797 11.799 -15.500 1.00 0.00 C ATOM 672 O MET A 45 -18.819 11.154 -15.125 1.00 0.00 O ATOM 673 CB MET A 45 -19.739 14.077 -16.533 1.00 0.00 C ATOM 674 CG MET A 45 -18.997 14.880 -17.588 1.00 0.00 C ATOM 675 SD MET A 45 -17.207 14.696 -17.471 1.00 0.00 S ATOM 676 CE MET A 45 -16.884 15.513 -15.910 1.00 0.00 C ATOM 0 H MET A 45 -21.452 13.036 -17.969 1.00 0.00 H new ATOM 0 HA MET A 45 -18.859 12.296 -17.355 1.00 0.00 H new ATOM 0 HB2 MET A 45 -20.764 14.442 -16.464 1.00 0.00 H new ATOM 0 HB3 MET A 45 -19.273 14.249 -15.563 1.00 0.00 H new ATOM 0 HG2 MET A 45 -19.327 14.564 -18.578 1.00 0.00 H new ATOM 0 HG3 MET A 45 -19.257 15.934 -17.487 1.00 0.00 H new ATOM 0 HE1 MET A 45 -15.990 16.130 -16.000 1.00 0.00 H new ATOM 0 HE2 MET A 45 -17.734 16.142 -15.646 1.00 0.00 H new ATOM 0 HE3 MET A 45 -16.731 14.765 -15.132 1.00 0.00 H new ATOM 686 N MET A 46 -20.928 11.868 -14.806 1.00 0.00 N ATOM 687 CA MET A 46 -21.088 11.172 -13.534 1.00 0.00 C ATOM 688 C MET A 46 -20.816 9.679 -13.694 1.00 0.00 C ATOM 689 O MET A 46 -20.110 9.077 -12.885 1.00 0.00 O ATOM 690 CB MET A 46 -22.498 11.390 -12.982 1.00 0.00 C ATOM 691 CG MET A 46 -23.598 11.032 -13.968 1.00 0.00 C ATOM 692 SD MET A 46 -25.235 11.514 -13.387 1.00 0.00 S ATOM 693 CE MET A 46 -25.749 10.019 -12.544 1.00 0.00 C ATOM 0 H MET A 46 -21.747 12.398 -15.103 1.00 0.00 H new ATOM 0 HA MET A 46 -20.364 11.582 -12.830 1.00 0.00 H new ATOM 0 HB2 MET A 46 -22.622 10.793 -12.079 1.00 0.00 H new ATOM 0 HB3 MET A 46 -22.608 12.435 -12.691 1.00 0.00 H new ATOM 0 HG2 MET A 46 -23.398 11.519 -14.922 1.00 0.00 H new ATOM 0 HG3 MET A 46 -23.583 9.957 -14.149 1.00 0.00 H new ATOM 0 HE1 MET A 46 -26.747 10.160 -12.129 1.00 0.00 H new ATOM 0 HE2 MET A 46 -25.764 9.190 -13.251 1.00 0.00 H new ATOM 0 HE3 MET A 46 -25.049 9.796 -11.739 1.00 0.00 H new ATOM 703 N ASP A 47 -21.382 9.088 -14.740 1.00 0.00 N ATOM 704 CA ASP A 47 -21.200 7.666 -15.006 1.00 0.00 C ATOM 705 C ASP A 47 -19.720 7.325 -15.153 1.00 0.00 C ATOM 706 O ASP A 47 -19.256 6.301 -14.652 1.00 0.00 O ATOM 707 CB ASP A 47 -21.958 7.261 -16.271 1.00 0.00 C ATOM 708 CG ASP A 47 -21.943 5.762 -16.500 1.00 0.00 C ATOM 709 OD1 ASP A 47 -22.272 5.014 -15.555 1.00 0.00 O ATOM 710 OD2 ASP A 47 -21.603 5.337 -17.624 1.00 0.00 O ATOM 0 H ASP A 47 -21.971 9.572 -15.418 1.00 0.00 H new ATOM 0 HA ASP A 47 -21.600 7.109 -14.159 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -22.990 7.604 -16.198 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -21.516 7.762 -17.132 1.00 0.00 H new ATOM 715 N PHE A 48 -18.986 8.190 -15.845 1.00 0.00 N ATOM 716 CA PHE A 48 -17.559 7.980 -16.060 1.00 0.00 C ATOM 717 C PHE A 48 -16.792 8.060 -14.743 1.00 0.00 C ATOM 718 O PHE A 48 -15.977 7.191 -14.433 1.00 0.00 O ATOM 719 CB PHE A 48 -17.012 9.015 -17.046 1.00 0.00 C ATOM 720 CG PHE A 48 -15.513 9.028 -17.131 1.00 0.00 C ATOM 721 CD1 PHE A 48 -14.843 8.104 -17.917 1.00 0.00 C ATOM 722 CD2 PHE A 48 -14.773 9.964 -16.426 1.00 0.00 C ATOM 723 CE1 PHE A 48 -13.463 8.113 -17.998 1.00 0.00 C ATOM 724 CE2 PHE A 48 -13.393 9.978 -16.504 1.00 0.00 C ATOM 725 CZ PHE A 48 -12.737 9.051 -17.290 1.00 0.00 C ATOM 0 H PHE A 48 -19.355 9.042 -16.266 1.00 0.00 H new ATOM 0 HA PHE A 48 -17.423 6.983 -16.478 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -17.422 8.814 -18.036 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -17.360 10.005 -16.751 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -15.405 7.368 -18.473 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -15.280 10.691 -15.809 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -12.953 7.387 -18.614 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -12.828 10.713 -15.951 1.00 0.00 H new ATOM 0 HZ PHE A 48 -11.659 9.059 -17.351 1.00 0.00 H new ATOM 735 N ILE A 49 -17.059 9.110 -13.974 1.00 0.00 N ATOM 736 CA ILE A 49 -16.396 9.304 -12.691 1.00 0.00 C ATOM 737 C ILE A 49 -16.574 8.087 -11.790 1.00 0.00 C ATOM 738 O ILE A 49 -15.610 7.581 -11.215 1.00 0.00 O ATOM 739 CB ILE A 49 -16.932 10.551 -11.962 1.00 0.00 C ATOM 740 CG1 ILE A 49 -16.713 11.801 -12.817 1.00 0.00 C ATOM 741 CG2 ILE A 49 -16.257 10.704 -10.607 1.00 0.00 C ATOM 742 CD1 ILE A 49 -17.693 12.915 -12.520 1.00 0.00 C ATOM 0 H ILE A 49 -17.730 9.839 -14.217 1.00 0.00 H new ATOM 0 HA ILE A 49 -15.336 9.445 -12.903 1.00 0.00 H new ATOM 0 HB ILE A 49 -18.003 10.427 -11.800 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -15.699 12.168 -12.657 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -16.792 11.530 -13.870 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -16.646 11.589 -10.104 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -16.459 9.823 -9.998 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -15.181 10.810 -10.746 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -17.479 13.769 -13.162 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -18.708 12.566 -12.707 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -17.599 13.214 -11.476 1.00 0.00 H new ATOM 754 N SER A 50 -17.813 7.621 -11.672 1.00 0.00 N ATOM 755 CA SER A 50 -18.119 6.463 -10.840 1.00 0.00 C ATOM 756 C SER A 50 -17.617 5.178 -11.491 1.00 0.00 C ATOM 757 O SER A 50 -17.304 4.204 -10.806 1.00 0.00 O ATOM 758 CB SER A 50 -19.626 6.369 -10.594 1.00 0.00 C ATOM 759 OG SER A 50 -19.954 5.186 -9.887 1.00 0.00 O ATOM 0 H SER A 50 -18.622 8.028 -12.142 1.00 0.00 H new ATOM 0 HA SER A 50 -17.609 6.588 -9.885 1.00 0.00 H new ATOM 0 HB2 SER A 50 -19.960 7.239 -10.029 1.00 0.00 H new ATOM 0 HB3 SER A 50 -20.155 6.386 -11.547 1.00 0.00 H new ATOM 0 HG SER A 50 -20.922 5.150 -9.741 1.00 0.00 H new ATOM 765 N ARG A 51 -17.542 5.184 -12.818 1.00 0.00 N ATOM 766 CA ARG A 51 -17.080 4.019 -13.562 1.00 0.00 C ATOM 767 C ARG A 51 -15.615 3.723 -13.253 1.00 0.00 C ATOM 768 O ARG A 51 -15.247 2.582 -12.973 1.00 0.00 O ATOM 769 CB ARG A 51 -17.260 4.243 -15.065 1.00 0.00 C ATOM 770 CG ARG A 51 -16.627 3.160 -15.922 1.00 0.00 C ATOM 771 CD ARG A 51 -17.364 2.992 -17.242 1.00 0.00 C ATOM 772 NE ARG A 51 -17.174 4.139 -18.125 1.00 0.00 N ATOM 773 CZ ARG A 51 -17.750 4.253 -19.316 1.00 0.00 C ATOM 774 NH1 ARG A 51 -18.549 3.295 -19.764 1.00 0.00 N ATOM 775 NH2 ARG A 51 -17.528 5.328 -20.061 1.00 0.00 N ATOM 0 H ARG A 51 -17.795 5.983 -13.400 1.00 0.00 H new ATOM 0 HA ARG A 51 -17.679 3.162 -13.255 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -18.325 4.297 -15.291 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -16.828 5.207 -15.334 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -15.584 3.411 -16.116 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -16.632 2.215 -15.379 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -17.013 2.089 -17.741 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -18.428 2.856 -17.048 1.00 0.00 H new ATOM 0 HE ARG A 51 -16.565 4.894 -17.810 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -18.723 2.468 -19.193 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -18.990 3.385 -20.679 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -16.914 6.068 -19.719 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -17.971 5.415 -20.976 1.00 0.00 H new ATOM 789 N PHE A 52 -14.783 4.758 -13.306 1.00 0.00 N ATOM 790 CA PHE A 52 -13.358 4.609 -13.034 1.00 0.00 C ATOM 791 C PHE A 52 -13.073 4.747 -11.541 1.00 0.00 C ATOM 792 O PHE A 52 -12.507 3.847 -10.921 1.00 0.00 O ATOM 793 CB PHE A 52 -12.556 5.651 -13.816 1.00 0.00 C ATOM 794 CG PHE A 52 -12.166 5.197 -15.194 1.00 0.00 C ATOM 795 CD1 PHE A 52 -10.979 4.513 -15.402 1.00 0.00 C ATOM 796 CD2 PHE A 52 -12.988 5.452 -16.280 1.00 0.00 C ATOM 797 CE1 PHE A 52 -10.618 4.095 -16.669 1.00 0.00 C ATOM 798 CE2 PHE A 52 -12.632 5.036 -17.549 1.00 0.00 C ATOM 799 CZ PHE A 52 -11.446 4.355 -17.744 1.00 0.00 C ATOM 0 H PHE A 52 -15.071 5.709 -13.535 1.00 0.00 H new ATOM 0 HA PHE A 52 -13.054 3.612 -13.354 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -13.144 6.565 -13.896 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -11.655 5.900 -13.255 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -10.329 4.304 -14.565 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -13.918 5.982 -16.133 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -9.689 3.565 -16.819 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -13.280 5.243 -18.387 1.00 0.00 H new ATOM 0 HZ PHE A 52 -11.167 4.027 -18.734 1.00 0.00 H new ATOM 809 N ALA A 53 -13.468 5.881 -10.972 1.00 0.00 N ATOM 810 CA ALA A 53 -13.256 6.137 -9.552 1.00 0.00 C ATOM 811 C ALA A 53 -14.168 5.265 -8.695 1.00 0.00 C ATOM 812 O ALA A 53 -15.381 5.230 -8.900 1.00 0.00 O ATOM 813 CB ALA A 53 -13.486 7.608 -9.241 1.00 0.00 C ATOM 0 H ALA A 53 -13.936 6.637 -11.472 1.00 0.00 H new ATOM 0 HA ALA A 53 -12.223 5.883 -9.313 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -13.324 7.785 -8.178 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -12.790 8.215 -9.820 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -14.509 7.880 -9.503 1.00 0.00 H new ATOM 819 N ARG A 54 -13.575 4.561 -7.736 1.00 0.00 N ATOM 820 CA ARG A 54 -14.333 3.687 -6.850 1.00 0.00 C ATOM 821 C ARG A 54 -15.045 4.495 -5.769 1.00 0.00 C ATOM 822 O ARG A 54 -14.521 5.496 -5.278 1.00 0.00 O ATOM 823 CB ARG A 54 -13.409 2.654 -6.203 1.00 0.00 C ATOM 824 CG ARG A 54 -12.812 1.667 -7.193 1.00 0.00 C ATOM 825 CD ARG A 54 -13.820 0.600 -7.592 1.00 0.00 C ATOM 826 NE ARG A 54 -13.169 -0.602 -8.106 1.00 0.00 N ATOM 827 CZ ARG A 54 -13.823 -1.595 -8.699 1.00 0.00 C ATOM 828 NH1 ARG A 54 -15.138 -1.530 -8.852 1.00 0.00 N ATOM 829 NH2 ARG A 54 -13.160 -2.656 -9.142 1.00 0.00 N ATOM 0 H ARG A 54 -12.572 4.579 -7.553 1.00 0.00 H new ATOM 0 HA ARG A 54 -15.083 3.169 -7.447 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -12.601 3.174 -5.689 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -13.967 2.104 -5.446 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -12.474 2.200 -8.081 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -11.935 1.194 -6.752 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -14.433 0.340 -6.729 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -14.492 1.001 -8.351 1.00 0.00 H new ATOM 0 HE ARG A 54 -12.157 -0.684 -8.004 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -15.651 -0.716 -8.514 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -15.637 -2.294 -9.308 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -12.148 -2.709 -9.027 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -13.663 -3.418 -9.597 1.00 0.00 H new ATOM 843 N THR A 55 -16.245 4.055 -5.401 1.00 0.00 N ATOM 844 CA THR A 55 -17.030 4.737 -4.380 1.00 0.00 C ATOM 845 C THR A 55 -16.791 4.126 -3.004 1.00 0.00 C ATOM 846 O THR A 55 -17.639 3.404 -2.480 1.00 0.00 O ATOM 847 CB THR A 55 -18.536 4.683 -4.700 1.00 0.00 C ATOM 848 OG1 THR A 55 -18.957 3.322 -4.842 1.00 0.00 O ATOM 849 CG2 THR A 55 -18.846 5.452 -5.975 1.00 0.00 C ATOM 0 H THR A 55 -16.694 3.229 -5.796 1.00 0.00 H new ATOM 0 HA THR A 55 -16.705 5.777 -4.373 1.00 0.00 H new ATOM 0 HB THR A 55 -19.078 5.146 -3.875 1.00 0.00 H new ATOM 0 HG1 THR A 55 -18.787 2.838 -4.007 1.00 0.00 H new ATOM 0 HG21 THR A 55 -19.915 5.400 -6.181 1.00 0.00 H new ATOM 0 HG22 THR A 55 -18.551 6.494 -5.852 1.00 0.00 H new ATOM 0 HG23 THR A 55 -18.295 5.014 -6.807 1.00 0.00 H new ATOM 857 N ASP A 56 -15.633 4.421 -2.424 1.00 0.00 N ATOM 858 CA ASP A 56 -15.284 3.902 -1.107 1.00 0.00 C ATOM 859 C ASP A 56 -14.597 4.973 -0.265 1.00 0.00 C ATOM 860 O ASP A 56 -14.095 5.964 -0.795 1.00 0.00 O ATOM 861 CB ASP A 56 -14.375 2.680 -1.241 1.00 0.00 C ATOM 862 CG ASP A 56 -14.500 1.732 -0.064 1.00 0.00 C ATOM 863 OD1 ASP A 56 -15.639 1.336 0.260 1.00 0.00 O ATOM 864 OD2 ASP A 56 -13.459 1.387 0.532 1.00 0.00 O ATOM 0 H ASP A 56 -14.920 5.017 -2.845 1.00 0.00 H new ATOM 0 HA ASP A 56 -16.205 3.606 -0.605 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -14.620 2.148 -2.160 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -13.340 3.009 -1.330 1.00 0.00 H new ATOM 869 N GLU A 57 -14.578 4.766 1.048 1.00 0.00 N ATOM 870 CA GLU A 57 -13.954 5.715 1.962 1.00 0.00 C ATOM 871 C GLU A 57 -12.504 5.979 1.565 1.00 0.00 C ATOM 872 O GLU A 57 -11.745 5.049 1.293 1.00 0.00 O ATOM 873 CB GLU A 57 -14.013 5.189 3.397 1.00 0.00 C ATOM 874 CG GLU A 57 -15.333 5.472 4.095 1.00 0.00 C ATOM 875 CD GLU A 57 -16.441 4.538 3.649 1.00 0.00 C ATOM 876 OE1 GLU A 57 -16.180 3.323 3.525 1.00 0.00 O ATOM 877 OE2 GLU A 57 -17.570 5.022 3.423 1.00 0.00 O ATOM 0 H GLU A 57 -14.988 3.950 1.502 1.00 0.00 H new ATOM 0 HA GLU A 57 -14.506 6.653 1.904 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -13.840 4.113 3.388 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -13.204 5.637 3.973 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -15.197 5.380 5.173 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -15.630 6.502 3.898 1.00 0.00 H new ATOM 884 N ILE A 58 -12.129 7.253 1.533 1.00 0.00 N ATOM 885 CA ILE A 58 -10.771 7.640 1.170 1.00 0.00 C ATOM 886 C ILE A 58 -9.866 7.688 2.397 1.00 0.00 C ATOM 887 O ILE A 58 -10.200 8.312 3.403 1.00 0.00 O ATOM 888 CB ILE A 58 -10.744 9.013 0.473 1.00 0.00 C ATOM 889 CG1 ILE A 58 -11.642 8.998 -0.765 1.00 0.00 C ATOM 890 CG2 ILE A 58 -9.319 9.388 0.096 1.00 0.00 C ATOM 891 CD1 ILE A 58 -13.083 9.353 -0.471 1.00 0.00 C ATOM 0 H ILE A 58 -12.746 8.035 1.754 1.00 0.00 H new ATOM 0 HA ILE A 58 -10.402 6.883 0.478 1.00 0.00 H new ATOM 0 HB ILE A 58 -11.125 9.763 1.166 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -11.246 9.699 -1.499 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -11.606 8.007 -1.218 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -9.317 10.361 -0.396 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.705 9.435 0.995 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -8.913 8.638 -0.582 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -13.661 9.322 -1.395 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -13.496 8.637 0.240 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -13.131 10.356 -0.046 1.00 0.00 H new ATOM 903 N MET A 59 -8.718 7.024 2.305 1.00 0.00 N ATOM 904 CA MET A 59 -7.763 6.993 3.406 1.00 0.00 C ATOM 905 C MET A 59 -6.407 7.534 2.965 1.00 0.00 C ATOM 906 O MET A 59 -6.074 7.551 1.780 1.00 0.00 O ATOM 907 CB MET A 59 -7.609 5.567 3.936 1.00 0.00 C ATOM 908 CG MET A 59 -8.753 5.125 4.835 1.00 0.00 C ATOM 909 SD MET A 59 -8.793 6.021 6.399 1.00 0.00 S ATOM 910 CE MET A 59 -7.931 4.872 7.469 1.00 0.00 C ATOM 0 H MET A 59 -8.427 6.500 1.479 1.00 0.00 H new ATOM 0 HA MET A 59 -8.146 7.629 4.204 1.00 0.00 H new ATOM 0 HB2 MET A 59 -7.535 4.881 3.092 1.00 0.00 H new ATOM 0 HB3 MET A 59 -6.673 5.493 4.490 1.00 0.00 H new ATOM 0 HG2 MET A 59 -9.698 5.272 4.312 1.00 0.00 H new ATOM 0 HG3 MET A 59 -8.662 4.057 5.035 1.00 0.00 H new ATOM 0 HE1 MET A 59 -7.874 5.285 8.476 1.00 0.00 H new ATOM 0 HE2 MET A 59 -8.470 3.925 7.495 1.00 0.00 H new ATOM 0 HE3 MET A 59 -6.924 4.706 7.088 1.00 0.00 H new ATOM 920 N PRO A 60 -5.604 7.986 3.940 1.00 0.00 N ATOM 921 CA PRO A 60 -4.270 8.535 3.675 1.00 0.00 C ATOM 922 C PRO A 60 -3.282 7.466 3.223 1.00 0.00 C ATOM 923 O PRO A 60 -2.228 7.777 2.670 1.00 0.00 O ATOM 924 CB PRO A 60 -3.850 9.114 5.029 1.00 0.00 C ATOM 925 CG PRO A 60 -4.625 8.331 6.032 1.00 0.00 C ATOM 926 CD PRO A 60 -5.935 7.996 5.374 1.00 0.00 C ATOM 0 HA PRO A 60 -4.284 9.268 2.868 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -2.777 9.010 5.189 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -4.080 10.178 5.093 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -4.090 7.426 6.319 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -4.782 8.910 6.942 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.315 7.030 5.705 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.701 8.736 5.604 1.00 0.00 H new ATOM 934 N GLU A 61 -3.631 6.205 3.462 1.00 0.00 N ATOM 935 CA GLU A 61 -2.773 5.090 3.079 1.00 0.00 C ATOM 936 C GLU A 61 -2.425 5.156 1.594 1.00 0.00 C ATOM 937 O GLU A 61 -1.318 4.803 1.189 1.00 0.00 O ATOM 938 CB GLU A 61 -3.458 3.759 3.395 1.00 0.00 C ATOM 939 CG GLU A 61 -2.581 2.794 4.175 1.00 0.00 C ATOM 940 CD GLU A 61 -2.966 1.344 3.950 1.00 0.00 C ATOM 941 OE1 GLU A 61 -2.743 0.837 2.831 1.00 0.00 O ATOM 942 OE2 GLU A 61 -3.490 0.717 4.895 1.00 0.00 O ATOM 0 H GLU A 61 -4.501 5.931 3.919 1.00 0.00 H new ATOM 0 HA GLU A 61 -1.850 5.161 3.654 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -4.366 3.954 3.965 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -3.763 3.286 2.461 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -1.540 2.939 3.885 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -2.651 3.024 5.238 1.00 0.00 H new ATOM 949 N ASP A 62 -3.379 5.611 0.789 1.00 0.00 N ATOM 950 CA ASP A 62 -3.175 5.725 -0.650 1.00 0.00 C ATOM 951 C ASP A 62 -1.919 6.534 -0.959 1.00 0.00 C ATOM 952 O ASP A 62 -1.579 7.472 -0.238 1.00 0.00 O ATOM 953 CB ASP A 62 -4.391 6.376 -1.310 1.00 0.00 C ATOM 954 CG ASP A 62 -5.483 5.374 -1.628 1.00 0.00 C ATOM 955 OD1 ASP A 62 -6.275 5.050 -0.718 1.00 0.00 O ATOM 956 OD2 ASP A 62 -5.547 4.915 -2.788 1.00 0.00 O ATOM 0 H ASP A 62 -4.301 5.907 1.109 1.00 0.00 H new ATOM 0 HA ASP A 62 -3.047 4.721 -1.054 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -4.790 7.146 -0.650 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -4.079 6.873 -2.229 1.00 0.00 H new ATOM 961 N LYS A 63 -1.233 6.164 -2.035 1.00 0.00 N ATOM 962 CA LYS A 63 -0.014 6.855 -2.440 1.00 0.00 C ATOM 963 C LYS A 63 -0.200 7.537 -3.791 1.00 0.00 C ATOM 964 O LYS A 63 -0.734 6.946 -4.730 1.00 0.00 O ATOM 965 CB LYS A 63 1.155 5.870 -2.511 1.00 0.00 C ATOM 966 CG LYS A 63 2.512 6.544 -2.617 1.00 0.00 C ATOM 967 CD LYS A 63 3.624 5.642 -2.108 1.00 0.00 C ATOM 968 CE LYS A 63 3.610 5.542 -0.590 1.00 0.00 C ATOM 969 NZ LYS A 63 4.806 4.823 -0.071 1.00 0.00 N ATOM 0 H LYS A 63 -1.500 5.389 -2.643 1.00 0.00 H new ATOM 0 HA LYS A 63 0.207 7.618 -1.694 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.141 5.238 -1.623 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.016 5.215 -3.371 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.706 6.812 -3.656 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.504 7.472 -2.045 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.514 4.647 -2.540 1.00 0.00 H new ATOM 0 HD3 LYS A 63 4.588 6.028 -2.439 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.573 6.543 -0.160 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.707 5.024 -0.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.759 4.776 0.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.828 3.859 -0.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.667 5.331 -0.356 1.00 0.00 H new ATOM 983 N THR A 64 0.246 8.786 -3.885 1.00 0.00 N ATOM 984 CA THR A 64 0.130 9.549 -5.121 1.00 0.00 C ATOM 985 C THR A 64 1.237 9.180 -6.102 1.00 0.00 C ATOM 986 O THR A 64 2.417 9.180 -5.750 1.00 0.00 O ATOM 987 CB THR A 64 0.182 11.065 -4.853 1.00 0.00 C ATOM 988 OG1 THR A 64 -0.305 11.347 -3.536 1.00 0.00 O ATOM 989 CG2 THR A 64 -0.646 11.825 -5.878 1.00 0.00 C ATOM 0 H THR A 64 0.691 9.291 -3.119 1.00 0.00 H new ATOM 0 HA THR A 64 -0.837 9.297 -5.557 1.00 0.00 H new ATOM 0 HB THR A 64 1.219 11.390 -4.934 1.00 0.00 H new ATOM 0 HG1 THR A 64 -0.267 12.313 -3.373 1.00 0.00 H new ATOM 0 HG21 THR A 64 -0.594 12.893 -5.668 1.00 0.00 H new ATOM 0 HG22 THR A 64 -0.255 11.632 -6.877 1.00 0.00 H new ATOM 0 HG23 THR A 64 -1.683 11.495 -5.825 1.00 0.00 H new ATOM 997 N VAL A 65 0.849 8.866 -7.334 1.00 0.00 N ATOM 998 CA VAL A 65 1.810 8.496 -8.366 1.00 0.00 C ATOM 999 C VAL A 65 1.938 9.594 -9.416 1.00 0.00 C ATOM 1000 O VAL A 65 2.954 9.695 -10.102 1.00 0.00 O ATOM 1001 CB VAL A 65 1.409 7.181 -9.061 1.00 0.00 C ATOM 1002 CG1 VAL A 65 2.474 6.758 -10.061 1.00 0.00 C ATOM 1003 CG2 VAL A 65 1.167 6.087 -8.032 1.00 0.00 C ATOM 0 H VAL A 65 -0.124 8.860 -7.641 1.00 0.00 H new ATOM 0 HA VAL A 65 2.770 8.358 -7.869 1.00 0.00 H new ATOM 0 HB VAL A 65 0.480 7.348 -9.606 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.173 5.827 -10.542 1.00 0.00 H new ATOM 0 HG12 VAL A 65 2.593 7.535 -10.817 1.00 0.00 H new ATOM 0 HG13 VAL A 65 3.421 6.609 -9.543 1.00 0.00 H new ATOM 0 HG21 VAL A 65 0.885 5.165 -8.541 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.078 5.920 -7.457 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.365 6.391 -7.360 1.00 0.00 H new ATOM 1013 N GLY A 66 0.900 10.416 -9.535 1.00 0.00 N ATOM 1014 CA GLY A 66 0.916 11.496 -10.503 1.00 0.00 C ATOM 1015 C GLY A 66 -0.370 12.298 -10.500 1.00 0.00 C ATOM 1016 O GLY A 66 -1.402 11.828 -10.020 1.00 0.00 O ATOM 0 H GLY A 66 0.048 10.353 -8.978 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.754 12.159 -10.289 1.00 0.00 H new ATOM 0 HA3 GLY A 66 1.081 11.085 -11.499 1.00 0.00 H new ATOM 1020 N PHE A 67 -0.309 13.514 -11.033 1.00 0.00 N ATOM 1021 CA PHE A 67 -1.478 14.384 -11.087 1.00 0.00 C ATOM 1022 C PHE A 67 -1.713 14.893 -12.506 1.00 0.00 C ATOM 1023 O PHE A 67 -0.768 15.215 -13.227 1.00 0.00 O ATOM 1024 CB PHE A 67 -1.303 15.567 -10.132 1.00 0.00 C ATOM 1025 CG PHE A 67 -0.081 16.393 -10.417 1.00 0.00 C ATOM 1026 CD1 PHE A 67 -0.142 17.465 -11.292 1.00 0.00 C ATOM 1027 CD2 PHE A 67 1.128 16.096 -9.811 1.00 0.00 C ATOM 1028 CE1 PHE A 67 0.980 18.227 -11.557 1.00 0.00 C ATOM 1029 CE2 PHE A 67 2.254 16.854 -10.071 1.00 0.00 C ATOM 1030 CZ PHE A 67 2.180 17.920 -10.946 1.00 0.00 C ATOM 0 H PHE A 67 0.537 13.919 -11.433 1.00 0.00 H new ATOM 0 HA PHE A 67 -2.347 13.802 -10.780 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -2.185 16.205 -10.192 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -1.249 15.193 -9.110 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -1.078 17.708 -11.773 1.00 0.00 H new ATOM 0 HD2 PHE A 67 1.192 15.262 -9.127 1.00 0.00 H new ATOM 0 HE1 PHE A 67 0.919 19.061 -12.241 1.00 0.00 H new ATOM 0 HE2 PHE A 67 3.191 16.613 -9.590 1.00 0.00 H new ATOM 0 HZ PHE A 67 3.059 18.513 -11.152 1.00 0.00 H new ATOM 1040 N VAL A 68 -2.980 14.961 -12.902 1.00 0.00 N ATOM 1041 CA VAL A 68 -3.341 15.430 -14.235 1.00 0.00 C ATOM 1042 C VAL A 68 -4.367 16.555 -14.162 1.00 0.00 C ATOM 1043 O VAL A 68 -5.542 16.321 -13.878 1.00 0.00 O ATOM 1044 CB VAL A 68 -3.908 14.287 -15.097 1.00 0.00 C ATOM 1045 CG1 VAL A 68 -4.326 14.807 -16.464 1.00 0.00 C ATOM 1046 CG2 VAL A 68 -2.889 13.166 -15.233 1.00 0.00 C ATOM 0 H VAL A 68 -3.774 14.697 -12.319 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.428 15.805 -14.697 1.00 0.00 H new ATOM 0 HB VAL A 68 -4.792 13.885 -14.601 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.724 13.986 -17.060 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.092 15.573 -16.343 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.461 15.236 -16.970 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.307 12.367 -15.845 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.986 13.551 -15.706 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.643 12.776 -14.245 1.00 0.00 H new ATOM 1056 N VAL A 69 -3.915 17.778 -14.421 1.00 0.00 N ATOM 1057 CA VAL A 69 -4.794 18.941 -14.387 1.00 0.00 C ATOM 1058 C VAL A 69 -5.432 19.188 -15.750 1.00 0.00 C ATOM 1059 O VAL A 69 -4.743 19.492 -16.724 1.00 0.00 O ATOM 1060 CB VAL A 69 -4.033 20.207 -13.952 1.00 0.00 C ATOM 1061 CG1 VAL A 69 -4.986 21.386 -13.826 1.00 0.00 C ATOM 1062 CG2 VAL A 69 -3.298 19.963 -12.643 1.00 0.00 C ATOM 0 H VAL A 69 -2.945 17.989 -14.657 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.575 18.726 -13.657 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.295 20.447 -14.717 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.430 22.272 -13.518 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.462 21.573 -14.788 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -5.749 21.159 -13.081 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -2.766 20.868 -12.350 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.016 19.697 -11.867 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.585 19.149 -12.772 1.00 0.00 H new ATOM 1072 N VAL A 70 -6.753 19.055 -15.812 1.00 0.00 N ATOM 1073 CA VAL A 70 -7.485 19.265 -17.055 1.00 0.00 C ATOM 1074 C VAL A 70 -8.692 20.171 -16.835 1.00 0.00 C ATOM 1075 O VAL A 70 -9.669 19.776 -16.200 1.00 0.00 O ATOM 1076 CB VAL A 70 -7.961 17.931 -17.658 1.00 0.00 C ATOM 1077 CG1 VAL A 70 -8.863 18.179 -18.858 1.00 0.00 C ATOM 1078 CG2 VAL A 70 -6.770 17.067 -18.045 1.00 0.00 C ATOM 0 H VAL A 70 -7.338 18.803 -15.016 1.00 0.00 H new ATOM 0 HA VAL A 70 -6.797 19.744 -17.751 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.539 17.397 -16.904 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -9.190 17.225 -19.271 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.733 18.756 -18.546 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -8.313 18.734 -19.618 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.125 16.128 -18.470 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.164 17.593 -18.783 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.167 16.861 -17.160 1.00 0.00 H new ATOM 1088 N ASN A 71 -8.617 21.387 -17.366 1.00 0.00 N ATOM 1089 CA ASN A 71 -9.704 22.349 -17.228 1.00 0.00 C ATOM 1090 C ASN A 71 -10.142 22.875 -18.592 1.00 0.00 C ATOM 1091 O ASN A 71 -9.355 23.485 -19.315 1.00 0.00 O ATOM 1092 CB ASN A 71 -9.272 23.514 -16.335 1.00 0.00 C ATOM 1093 CG ASN A 71 -8.516 23.050 -15.104 1.00 0.00 C ATOM 1094 OD1 ASN A 71 -8.847 22.024 -14.510 1.00 0.00 O ATOM 1095 ND2 ASN A 71 -7.496 23.806 -14.716 1.00 0.00 N ATOM 0 H ASN A 71 -7.815 21.729 -17.896 1.00 0.00 H new ATOM 0 HA ASN A 71 -10.550 21.840 -16.766 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -8.643 24.194 -16.909 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -10.152 24.078 -16.026 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -6.951 23.544 -13.895 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -7.258 24.648 -15.239 1.00 0.00 H new ATOM 1102 N ALA A 72 -11.403 22.634 -18.936 1.00 0.00 N ATOM 1103 CA ALA A 72 -11.946 23.084 -20.211 1.00 0.00 C ATOM 1104 C ALA A 72 -12.119 24.599 -20.229 1.00 0.00 C ATOM 1105 O ALA A 72 -11.872 25.249 -21.245 1.00 0.00 O ATOM 1106 CB ALA A 72 -13.274 22.397 -20.491 1.00 0.00 C ATOM 0 H ALA A 72 -12.067 22.130 -18.349 1.00 0.00 H new ATOM 0 HA ALA A 72 -11.238 22.815 -20.995 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -13.668 22.743 -21.447 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -13.125 21.318 -20.529 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -13.982 22.637 -19.698 1.00 0.00 H new ATOM 1112 N ASP A 73 -12.543 25.156 -19.100 1.00 0.00 N ATOM 1113 CA ASP A 73 -12.749 26.595 -18.987 1.00 0.00 C ATOM 1114 C ASP A 73 -11.489 27.357 -19.388 1.00 0.00 C ATOM 1115 O ASP A 73 -11.533 28.246 -20.238 1.00 0.00 O ATOM 1116 CB ASP A 73 -13.149 26.963 -17.557 1.00 0.00 C ATOM 1117 CG ASP A 73 -12.326 26.228 -16.518 1.00 0.00 C ATOM 1118 OD1 ASP A 73 -12.681 25.077 -16.186 1.00 0.00 O ATOM 1119 OD2 ASP A 73 -11.327 26.802 -16.037 1.00 0.00 O ATOM 0 H ASP A 73 -12.751 24.632 -18.250 1.00 0.00 H new ATOM 0 HA ASP A 73 -13.554 26.877 -19.666 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -13.032 28.037 -17.415 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -14.204 26.735 -17.408 1.00 0.00 H new ATOM 1124 N LYS A 74 -10.367 27.002 -18.770 1.00 0.00 N ATOM 1125 CA LYS A 74 -9.095 27.651 -19.062 1.00 0.00 C ATOM 1126 C LYS A 74 -8.266 26.813 -20.030 1.00 0.00 C ATOM 1127 O LYS A 74 -7.062 27.024 -20.177 1.00 0.00 O ATOM 1128 CB LYS A 74 -8.309 27.883 -17.770 1.00 0.00 C ATOM 1129 CG LYS A 74 -8.971 28.870 -16.824 1.00 0.00 C ATOM 1130 CD LYS A 74 -8.554 28.627 -15.383 1.00 0.00 C ATOM 1131 CE LYS A 74 -9.472 29.348 -14.408 1.00 0.00 C ATOM 1132 NZ LYS A 74 -9.184 30.808 -14.350 1.00 0.00 N ATOM 0 H LYS A 74 -10.313 26.268 -18.064 1.00 0.00 H new ATOM 0 HA LYS A 74 -9.306 28.613 -19.530 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -8.181 26.930 -17.256 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -7.312 28.246 -18.021 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -8.706 29.887 -17.114 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.054 28.786 -16.909 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -8.568 27.557 -15.174 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -7.528 28.966 -15.238 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -10.509 29.194 -14.705 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -9.357 28.916 -13.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -9.831 31.263 -13.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -8.202 30.956 -14.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -9.318 31.226 -15.293 1.00 0.00 H new ATOM 1146 N LYS A 75 -8.918 25.862 -20.690 1.00 0.00 N ATOM 1147 CA LYS A 75 -8.243 24.993 -21.647 1.00 0.00 C ATOM 1148 C LYS A 75 -6.842 24.635 -21.162 1.00 0.00 C ATOM 1149 O LYS A 75 -5.881 24.663 -21.933 1.00 0.00 O ATOM 1150 CB LYS A 75 -8.163 25.672 -23.016 1.00 0.00 C ATOM 1151 CG LYS A 75 -7.276 26.905 -23.032 1.00 0.00 C ATOM 1152 CD LYS A 75 -8.076 28.171 -22.774 1.00 0.00 C ATOM 1153 CE LYS A 75 -7.233 29.232 -22.083 1.00 0.00 C ATOM 1154 NZ LYS A 75 -8.034 30.034 -21.117 1.00 0.00 N ATOM 0 H LYS A 75 -9.914 25.673 -20.580 1.00 0.00 H new ATOM 0 HA LYS A 75 -8.823 24.074 -21.738 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -7.788 24.955 -23.746 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.168 25.953 -23.332 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -6.498 26.805 -22.275 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -6.774 26.981 -23.997 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.453 28.563 -23.718 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -8.943 27.935 -22.157 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -6.405 28.754 -21.560 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -6.797 29.894 -22.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -7.930 31.045 -21.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -9.036 29.765 -21.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -7.696 29.852 -20.150 1.00 0.00 H new ATOM 1168 N LEU A 76 -6.731 24.299 -19.882 1.00 0.00 N ATOM 1169 CA LEU A 76 -5.447 23.934 -19.294 1.00 0.00 C ATOM 1170 C LEU A 76 -5.337 22.423 -19.121 1.00 0.00 C ATOM 1171 O LEU A 76 -6.083 21.821 -18.348 1.00 0.00 O ATOM 1172 CB LEU A 76 -5.266 24.628 -17.943 1.00 0.00 C ATOM 1173 CG LEU A 76 -5.180 26.155 -17.979 1.00 0.00 C ATOM 1174 CD1 LEU A 76 -4.735 26.696 -16.630 1.00 0.00 C ATOM 1175 CD2 LEU A 76 -4.232 26.610 -19.079 1.00 0.00 C ATOM 0 H LEU A 76 -7.515 24.272 -19.231 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.659 24.262 -19.972 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.098 24.346 -17.298 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.358 24.244 -17.478 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.172 26.551 -18.196 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.679 27.784 -16.675 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.453 26.400 -15.865 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.753 26.292 -16.382 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.183 27.699 -19.090 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.238 26.204 -18.893 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.595 26.253 -20.043 1.00 0.00 H new ATOM 1187 N MET A 77 -4.402 21.816 -19.843 1.00 0.00 N ATOM 1188 CA MET A 77 -4.192 20.374 -19.766 1.00 0.00 C ATOM 1189 C MET A 77 -2.730 20.052 -19.474 1.00 0.00 C ATOM 1190 O MET A 77 -1.905 19.989 -20.385 1.00 0.00 O ATOM 1191 CB MET A 77 -4.623 19.704 -21.073 1.00 0.00 C ATOM 1192 CG MET A 77 -4.426 20.581 -22.299 1.00 0.00 C ATOM 1193 SD MET A 77 -5.892 21.549 -22.703 1.00 0.00 S ATOM 1194 CE MET A 77 -7.076 20.247 -23.035 1.00 0.00 C ATOM 0 H MET A 77 -3.777 22.299 -20.488 1.00 0.00 H new ATOM 0 HA MET A 77 -4.801 19.986 -18.949 1.00 0.00 H new ATOM 0 HB2 MET A 77 -4.058 18.781 -21.202 1.00 0.00 H new ATOM 0 HB3 MET A 77 -5.675 19.427 -21.000 1.00 0.00 H new ATOM 0 HG2 MET A 77 -3.586 21.255 -22.128 1.00 0.00 H new ATOM 0 HG3 MET A 77 -4.163 19.954 -23.151 1.00 0.00 H new ATOM 0 HE1 MET A 77 -7.425 20.327 -24.064 1.00 0.00 H new ATOM 0 HE2 MET A 77 -6.601 19.277 -22.887 1.00 0.00 H new ATOM 0 HE3 MET A 77 -7.923 20.344 -22.356 1.00 0.00 H new ATOM 1204 N SER A 78 -2.417 19.850 -18.198 1.00 0.00 N ATOM 1205 CA SER A 78 -1.053 19.539 -17.785 1.00 0.00 C ATOM 1206 C SER A 78 -1.002 18.211 -17.036 1.00 0.00 C ATOM 1207 O SER A 78 -1.581 18.070 -15.959 1.00 0.00 O ATOM 1208 CB SER A 78 -0.497 20.658 -16.902 1.00 0.00 C ATOM 1209 OG SER A 78 -0.987 21.923 -17.312 1.00 0.00 O ATOM 0 H SER A 78 -3.089 19.896 -17.432 1.00 0.00 H new ATOM 0 HA SER A 78 -0.438 19.454 -18.681 1.00 0.00 H new ATOM 0 HB2 SER A 78 -0.773 20.477 -15.863 1.00 0.00 H new ATOM 0 HB3 SER A 78 0.592 20.654 -16.948 1.00 0.00 H new ATOM 0 HG SER A 78 -0.618 22.621 -16.731 1.00 0.00 H new ATOM 1215 N VAL A 79 -0.305 17.239 -17.615 1.00 0.00 N ATOM 1216 CA VAL A 79 -0.176 15.922 -17.003 1.00 0.00 C ATOM 1217 C VAL A 79 1.233 15.701 -16.466 1.00 0.00 C ATOM 1218 O VAL A 79 2.219 16.005 -17.136 1.00 0.00 O ATOM 1219 CB VAL A 79 -0.513 14.802 -18.006 1.00 0.00 C ATOM 1220 CG1 VAL A 79 -1.917 14.985 -18.560 1.00 0.00 C ATOM 1221 CG2 VAL A 79 0.512 14.768 -19.130 1.00 0.00 C ATOM 0 H VAL A 79 0.179 17.339 -18.507 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.886 15.886 -16.177 1.00 0.00 H new ATOM 0 HB VAL A 79 -0.477 13.847 -17.482 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -2.137 14.184 -19.266 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -2.637 14.955 -17.743 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.985 15.947 -19.069 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.259 13.971 -19.829 1.00 0.00 H new ATOM 0 HG22 VAL A 79 0.510 15.724 -19.653 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.502 14.584 -18.714 1.00 0.00 H new ATOM 1231 N SER A 80 1.320 15.168 -15.251 1.00 0.00 N ATOM 1232 CA SER A 80 2.610 14.909 -14.621 1.00 0.00 C ATOM 1233 C SER A 80 2.521 13.717 -13.673 1.00 0.00 C ATOM 1234 O SER A 80 1.935 13.809 -12.594 1.00 0.00 O ATOM 1235 CB SER A 80 3.086 16.147 -13.858 1.00 0.00 C ATOM 1236 OG SER A 80 4.221 15.850 -13.062 1.00 0.00 O ATOM 0 H SER A 80 0.513 14.907 -14.684 1.00 0.00 H new ATOM 0 HA SER A 80 3.330 14.675 -15.405 1.00 0.00 H new ATOM 0 HB2 SER A 80 3.330 16.941 -14.563 1.00 0.00 H new ATOM 0 HB3 SER A 80 2.281 16.520 -13.225 1.00 0.00 H new ATOM 0 HG SER A 80 4.507 16.657 -12.585 1.00 0.00 H new ATOM 1242 N PHE A 81 3.108 12.598 -14.084 1.00 0.00 N ATOM 1243 CA PHE A 81 3.095 11.385 -13.274 1.00 0.00 C ATOM 1244 C PHE A 81 4.478 10.742 -13.236 1.00 0.00 C ATOM 1245 O PHE A 81 5.393 11.169 -13.941 1.00 0.00 O ATOM 1246 CB PHE A 81 2.072 10.390 -13.823 1.00 0.00 C ATOM 1247 CG PHE A 81 2.203 10.148 -15.300 1.00 0.00 C ATOM 1248 CD1 PHE A 81 1.637 11.024 -16.212 1.00 0.00 C ATOM 1249 CD2 PHE A 81 2.893 9.045 -15.776 1.00 0.00 C ATOM 1250 CE1 PHE A 81 1.756 10.805 -17.571 1.00 0.00 C ATOM 1251 CE2 PHE A 81 3.016 8.821 -17.134 1.00 0.00 C ATOM 1252 CZ PHE A 81 2.446 9.701 -18.033 1.00 0.00 C ATOM 0 H PHE A 81 3.599 12.506 -14.973 1.00 0.00 H new ATOM 0 HA PHE A 81 2.813 11.660 -12.258 1.00 0.00 H new ATOM 0 HB2 PHE A 81 2.181 9.442 -13.297 1.00 0.00 H new ATOM 0 HB3 PHE A 81 1.068 10.759 -13.611 1.00 0.00 H new ATOM 0 HD1 PHE A 81 1.096 11.889 -15.856 1.00 0.00 H new ATOM 0 HD2 PHE A 81 3.340 8.353 -15.078 1.00 0.00 H new ATOM 0 HE1 PHE A 81 1.310 11.496 -18.271 1.00 0.00 H new ATOM 0 HE2 PHE A 81 3.558 7.958 -17.492 1.00 0.00 H new ATOM 0 HZ PHE A 81 2.539 9.526 -19.095 1.00 0.00 H new ATOM 1262 N SER A 82 4.623 9.712 -12.408 1.00 0.00 N ATOM 1263 CA SER A 82 5.895 9.012 -12.275 1.00 0.00 C ATOM 1264 C SER A 82 6.436 8.602 -13.641 1.00 0.00 C ATOM 1265 O SER A 82 5.677 8.217 -14.531 1.00 0.00 O ATOM 1266 CB SER A 82 5.730 7.776 -11.388 1.00 0.00 C ATOM 1267 OG SER A 82 5.051 6.741 -12.077 1.00 0.00 O ATOM 0 H SER A 82 3.875 9.344 -11.820 1.00 0.00 H new ATOM 0 HA SER A 82 6.609 9.692 -11.811 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.709 7.422 -11.067 1.00 0.00 H new ATOM 0 HB3 SER A 82 5.176 8.042 -10.488 1.00 0.00 H new ATOM 0 HG SER A 82 4.960 5.962 -11.489 1.00 0.00 H new ATOM 1273 N ASP A 83 7.752 8.689 -13.800 1.00 0.00 N ATOM 1274 CA ASP A 83 8.396 8.327 -15.057 1.00 0.00 C ATOM 1275 C ASP A 83 8.305 6.824 -15.301 1.00 0.00 C ATOM 1276 O ASP A 83 9.192 6.066 -14.907 1.00 0.00 O ATOM 1277 CB ASP A 83 9.861 8.767 -15.049 1.00 0.00 C ATOM 1278 CG ASP A 83 10.027 10.219 -14.646 1.00 0.00 C ATOM 1279 OD1 ASP A 83 9.450 11.093 -15.326 1.00 0.00 O ATOM 1280 OD2 ASP A 83 10.735 10.480 -13.651 1.00 0.00 O ATOM 0 H ASP A 83 8.394 9.007 -13.074 1.00 0.00 H new ATOM 0 HA ASP A 83 7.875 8.840 -15.865 1.00 0.00 H new ATOM 0 HB2 ASP A 83 10.423 8.135 -14.361 1.00 0.00 H new ATOM 0 HB3 ASP A 83 10.288 8.617 -16.041 1.00 0.00 H new ATOM 1285 N ILE A 84 7.227 6.400 -15.952 1.00 0.00 N ATOM 1286 CA ILE A 84 7.020 4.987 -16.248 1.00 0.00 C ATOM 1287 C ILE A 84 7.759 4.578 -17.518 1.00 0.00 C ATOM 1288 O ILE A 84 8.483 5.377 -18.111 1.00 0.00 O ATOM 1289 CB ILE A 84 5.524 4.659 -16.409 1.00 0.00 C ATOM 1290 CG1 ILE A 84 4.923 5.469 -17.559 1.00 0.00 C ATOM 1291 CG2 ILE A 84 4.778 4.936 -15.113 1.00 0.00 C ATOM 1292 CD1 ILE A 84 3.448 5.212 -17.774 1.00 0.00 C ATOM 0 H ILE A 84 6.484 7.014 -16.285 1.00 0.00 H new ATOM 0 HA ILE A 84 7.417 4.425 -15.402 1.00 0.00 H new ATOM 0 HB ILE A 84 5.423 3.599 -16.644 1.00 0.00 H new ATOM 0 HG12 ILE A 84 5.074 6.530 -17.362 1.00 0.00 H new ATOM 0 HG13 ILE A 84 5.462 5.235 -18.477 1.00 0.00 H new ATOM 0 HG21 ILE A 84 3.722 4.699 -15.243 1.00 0.00 H new ATOM 0 HG22 ILE A 84 5.193 4.319 -14.316 1.00 0.00 H new ATOM 0 HG23 ILE A 84 4.884 5.988 -14.850 1.00 0.00 H new ATOM 0 HD11 ILE A 84 3.090 5.820 -18.605 1.00 0.00 H new ATOM 0 HD12 ILE A 84 3.292 4.158 -18.002 1.00 0.00 H new ATOM 0 HD13 ILE A 84 2.898 5.473 -16.870 1.00 0.00 H new ATOM 1304 N ASP A 85 7.569 3.330 -17.929 1.00 0.00 N ATOM 1305 CA ASP A 85 8.215 2.814 -19.131 1.00 0.00 C ATOM 1306 C ASP A 85 7.985 3.749 -20.315 1.00 0.00 C ATOM 1307 O ASP A 85 7.052 4.551 -20.312 1.00 0.00 O ATOM 1308 CB ASP A 85 7.688 1.417 -19.460 1.00 0.00 C ATOM 1309 CG ASP A 85 8.026 0.403 -18.384 1.00 0.00 C ATOM 1310 OD1 ASP A 85 7.260 0.303 -17.403 1.00 0.00 O ATOM 1311 OD2 ASP A 85 9.056 -0.290 -18.523 1.00 0.00 O ATOM 0 H ASP A 85 6.973 2.656 -17.448 1.00 0.00 H new ATOM 0 HA ASP A 85 9.286 2.754 -18.940 1.00 0.00 H new ATOM 0 HB2 ASP A 85 6.606 1.460 -19.587 1.00 0.00 H new ATOM 0 HB3 ASP A 85 8.108 1.088 -20.410 1.00 0.00 H new ATOM 1316 N GLU A 86 8.845 3.641 -21.323 1.00 0.00 N ATOM 1317 CA GLU A 86 8.736 4.478 -22.512 1.00 0.00 C ATOM 1318 C GLU A 86 7.527 4.076 -23.352 1.00 0.00 C ATOM 1319 O GLU A 86 6.800 4.929 -23.859 1.00 0.00 O ATOM 1320 CB GLU A 86 10.011 4.377 -23.352 1.00 0.00 C ATOM 1321 CG GLU A 86 10.344 2.959 -23.784 1.00 0.00 C ATOM 1322 CD GLU A 86 11.675 2.867 -24.505 1.00 0.00 C ATOM 1323 OE1 GLU A 86 11.852 3.574 -25.519 1.00 0.00 O ATOM 1324 OE2 GLU A 86 12.540 2.087 -24.055 1.00 0.00 O ATOM 0 H GLU A 86 9.624 2.983 -21.340 1.00 0.00 H new ATOM 0 HA GLU A 86 8.604 5.510 -22.188 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.903 5.002 -24.238 1.00 0.00 H new ATOM 0 HB3 GLU A 86 10.846 4.779 -22.779 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.364 2.311 -22.908 1.00 0.00 H new ATOM 0 HG3 GLU A 86 9.555 2.587 -24.437 1.00 0.00 H new ATOM 1331 N ASN A 87 7.320 2.771 -23.494 1.00 0.00 N ATOM 1332 CA ASN A 87 6.200 2.255 -24.273 1.00 0.00 C ATOM 1333 C ASN A 87 4.886 2.882 -23.817 1.00 0.00 C ATOM 1334 O ASN A 87 4.073 3.308 -24.637 1.00 0.00 O ATOM 1335 CB ASN A 87 6.122 0.732 -24.146 1.00 0.00 C ATOM 1336 CG ASN A 87 7.056 0.024 -25.109 1.00 0.00 C ATOM 1337 OD1 ASN A 87 7.416 0.566 -26.154 1.00 0.00 O ATOM 1338 ND2 ASN A 87 7.453 -1.194 -24.760 1.00 0.00 N ATOM 0 H ASN A 87 7.913 2.052 -23.080 1.00 0.00 H new ATOM 0 HA ASN A 87 6.365 2.518 -25.318 1.00 0.00 H new ATOM 0 HB2 ASN A 87 6.369 0.442 -23.125 1.00 0.00 H new ATOM 0 HB3 ASN A 87 5.098 0.406 -24.331 1.00 0.00 H new ATOM 0 HD21 ASN A 87 8.082 -1.719 -25.368 1.00 0.00 H new ATOM 0 HD22 ASN A 87 7.129 -1.604 -23.884 1.00 0.00 H new ATOM 1345 N MET A 88 4.685 2.935 -22.504 1.00 0.00 N ATOM 1346 CA MET A 88 3.471 3.511 -21.940 1.00 0.00 C ATOM 1347 C MET A 88 3.523 5.035 -21.980 1.00 0.00 C ATOM 1348 O MET A 88 2.520 5.694 -22.257 1.00 0.00 O ATOM 1349 CB MET A 88 3.276 3.034 -20.499 1.00 0.00 C ATOM 1350 CG MET A 88 1.823 3.031 -20.051 1.00 0.00 C ATOM 1351 SD MET A 88 1.585 2.191 -18.474 1.00 0.00 S ATOM 1352 CE MET A 88 -0.156 2.499 -18.186 1.00 0.00 C ATOM 0 H MET A 88 5.348 2.586 -21.811 1.00 0.00 H new ATOM 0 HA MET A 88 2.627 3.178 -22.543 1.00 0.00 H new ATOM 0 HB2 MET A 88 3.680 2.026 -20.401 1.00 0.00 H new ATOM 0 HB3 MET A 88 3.852 3.675 -19.832 1.00 0.00 H new ATOM 0 HG2 MET A 88 1.470 4.059 -19.968 1.00 0.00 H new ATOM 0 HG3 MET A 88 1.213 2.545 -20.813 1.00 0.00 H new ATOM 0 HE1 MET A 88 -0.510 1.858 -17.378 1.00 0.00 H new ATOM 0 HE2 MET A 88 -0.300 3.544 -17.910 1.00 0.00 H new ATOM 0 HE3 MET A 88 -0.719 2.283 -19.094 1.00 0.00 H new ATOM 1362 N LYS A 89 4.697 5.590 -21.701 1.00 0.00 N ATOM 1363 CA LYS A 89 4.881 7.037 -21.707 1.00 0.00 C ATOM 1364 C LYS A 89 4.493 7.630 -23.057 1.00 0.00 C ATOM 1365 O LYS A 89 3.732 8.595 -23.128 1.00 0.00 O ATOM 1366 CB LYS A 89 6.335 7.388 -21.382 1.00 0.00 C ATOM 1367 CG LYS A 89 6.564 8.871 -21.148 1.00 0.00 C ATOM 1368 CD LYS A 89 8.043 9.192 -21.010 1.00 0.00 C ATOM 1369 CE LYS A 89 8.571 8.809 -19.636 1.00 0.00 C ATOM 1370 NZ LYS A 89 10.057 8.880 -19.573 1.00 0.00 N ATOM 0 H LYS A 89 5.536 5.060 -21.468 1.00 0.00 H new ATOM 0 HA LYS A 89 4.231 7.464 -20.943 1.00 0.00 H new ATOM 0 HB2 LYS A 89 6.643 6.837 -20.494 1.00 0.00 H new ATOM 0 HB3 LYS A 89 6.972 7.055 -22.201 1.00 0.00 H new ATOM 0 HG2 LYS A 89 6.143 9.440 -21.977 1.00 0.00 H new ATOM 0 HG3 LYS A 89 6.037 9.184 -20.246 1.00 0.00 H new ATOM 0 HD2 LYS A 89 8.605 8.660 -21.778 1.00 0.00 H new ATOM 0 HD3 LYS A 89 8.202 10.257 -21.178 1.00 0.00 H new ATOM 0 HE2 LYS A 89 8.144 9.473 -18.885 1.00 0.00 H new ATOM 0 HE3 LYS A 89 8.245 7.798 -19.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 10.377 8.612 -18.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 10.466 8.228 -20.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 10.367 9.850 -19.782 1.00 0.00 H new ATOM 1384 N LYS A 90 5.020 7.045 -24.128 1.00 0.00 N ATOM 1385 CA LYS A 90 4.728 7.513 -25.478 1.00 0.00 C ATOM 1386 C LYS A 90 3.223 7.620 -25.702 1.00 0.00 C ATOM 1387 O LYS A 90 2.737 8.603 -26.261 1.00 0.00 O ATOM 1388 CB LYS A 90 5.343 6.568 -26.512 1.00 0.00 C ATOM 1389 CG LYS A 90 5.414 7.158 -27.909 1.00 0.00 C ATOM 1390 CD LYS A 90 6.658 8.012 -28.091 1.00 0.00 C ATOM 1391 CE LYS A 90 7.902 7.154 -28.263 1.00 0.00 C ATOM 1392 NZ LYS A 90 9.130 7.983 -28.415 1.00 0.00 N ATOM 0 H LYS A 90 5.652 6.245 -24.087 1.00 0.00 H new ATOM 0 HA LYS A 90 5.167 8.504 -25.595 1.00 0.00 H new ATOM 0 HB2 LYS A 90 6.348 6.296 -26.190 1.00 0.00 H new ATOM 0 HB3 LYS A 90 4.759 5.648 -26.544 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.413 6.354 -28.645 1.00 0.00 H new ATOM 0 HG3 LYS A 90 4.526 7.762 -28.095 1.00 0.00 H new ATOM 0 HD2 LYS A 90 6.535 8.655 -28.962 1.00 0.00 H new ATOM 0 HD3 LYS A 90 6.782 8.665 -27.227 1.00 0.00 H new ATOM 0 HE2 LYS A 90 8.012 6.497 -27.401 1.00 0.00 H new ATOM 0 HE3 LYS A 90 7.784 6.515 -29.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 9.956 7.362 -28.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 9.036 8.592 -29.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 9.256 8.574 -27.569 1.00 0.00 H new ATOM 1406 N VAL A 91 2.490 6.602 -25.263 1.00 0.00 N ATOM 1407 CA VAL A 91 1.040 6.582 -25.414 1.00 0.00 C ATOM 1408 C VAL A 91 0.393 7.734 -24.654 1.00 0.00 C ATOM 1409 O VAL A 91 -0.360 8.523 -25.225 1.00 0.00 O ATOM 1410 CB VAL A 91 0.442 5.253 -24.917 1.00 0.00 C ATOM 1411 CG1 VAL A 91 -1.071 5.255 -25.076 1.00 0.00 C ATOM 1412 CG2 VAL A 91 1.062 4.079 -25.659 1.00 0.00 C ATOM 0 H VAL A 91 2.877 5.780 -24.800 1.00 0.00 H new ATOM 0 HA VAL A 91 0.831 6.690 -26.478 1.00 0.00 H new ATOM 0 HB VAL A 91 0.672 5.146 -23.857 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.476 4.308 -24.720 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.497 6.073 -24.495 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -1.326 5.386 -26.128 1.00 0.00 H new ATOM 0 HG21 VAL A 91 0.628 3.148 -25.295 1.00 0.00 H new ATOM 0 HG22 VAL A 91 0.865 4.178 -26.726 1.00 0.00 H new ATOM 0 HG23 VAL A 91 2.138 4.068 -25.488 1.00 0.00 H new ATOM 1422 N ILE A 92 0.692 7.825 -23.362 1.00 0.00 N ATOM 1423 CA ILE A 92 0.140 8.882 -22.524 1.00 0.00 C ATOM 1424 C ILE A 92 0.426 10.259 -23.115 1.00 0.00 C ATOM 1425 O ILE A 92 -0.470 11.096 -23.229 1.00 0.00 O ATOM 1426 CB ILE A 92 0.710 8.822 -21.094 1.00 0.00 C ATOM 1427 CG1 ILE A 92 0.369 7.480 -20.442 1.00 0.00 C ATOM 1428 CG2 ILE A 92 0.171 9.975 -20.260 1.00 0.00 C ATOM 1429 CD1 ILE A 92 1.394 7.024 -19.427 1.00 0.00 C ATOM 0 H ILE A 92 1.313 7.180 -22.874 1.00 0.00 H new ATOM 0 HA ILE A 92 -0.938 8.723 -22.485 1.00 0.00 H new ATOM 0 HB ILE A 92 1.795 8.914 -21.147 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -0.603 7.558 -19.955 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.276 6.721 -21.219 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.583 9.919 -19.252 1.00 0.00 H new ATOM 0 HG22 ILE A 92 0.460 10.921 -20.718 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.916 9.912 -20.212 1.00 0.00 H new ATOM 0 HD11 ILE A 92 1.088 6.067 -19.006 1.00 0.00 H new ATOM 0 HD12 ILE A 92 2.363 6.913 -19.913 1.00 0.00 H new ATOM 0 HD13 ILE A 92 1.471 7.763 -18.630 1.00 0.00 H new ATOM 1441 N LYS A 93 1.679 10.486 -23.492 1.00 0.00 N ATOM 1442 CA LYS A 93 2.084 11.759 -24.076 1.00 0.00 C ATOM 1443 C LYS A 93 1.278 12.062 -25.335 1.00 0.00 C ATOM 1444 O LYS A 93 0.799 13.180 -25.523 1.00 0.00 O ATOM 1445 CB LYS A 93 3.579 11.740 -24.407 1.00 0.00 C ATOM 1446 CG LYS A 93 4.184 13.123 -24.567 1.00 0.00 C ATOM 1447 CD LYS A 93 5.702 13.077 -24.516 1.00 0.00 C ATOM 1448 CE LYS A 93 6.318 14.327 -25.124 1.00 0.00 C ATOM 1449 NZ LYS A 93 6.114 14.386 -26.598 1.00 0.00 N ATOM 0 H LYS A 93 2.433 9.804 -23.404 1.00 0.00 H new ATOM 0 HA LYS A 93 1.890 12.543 -23.344 1.00 0.00 H new ATOM 0 HB2 LYS A 93 4.111 11.209 -23.617 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.732 11.177 -25.328 1.00 0.00 H new ATOM 0 HG2 LYS A 93 3.864 13.554 -25.516 1.00 0.00 H new ATOM 0 HG3 LYS A 93 3.812 13.777 -23.778 1.00 0.00 H new ATOM 0 HD2 LYS A 93 6.029 12.975 -23.481 1.00 0.00 H new ATOM 0 HD3 LYS A 93 6.059 12.197 -25.051 1.00 0.00 H new ATOM 0 HE2 LYS A 93 5.878 15.210 -24.661 1.00 0.00 H new ATOM 0 HE3 LYS A 93 7.385 14.350 -24.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 6.797 15.049 -27.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 6.256 13.440 -27.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 5.147 14.710 -26.802 1.00 0.00 H new ATOM 1463 N ALA A 94 1.131 11.058 -26.194 1.00 0.00 N ATOM 1464 CA ALA A 94 0.380 11.217 -27.433 1.00 0.00 C ATOM 1465 C ALA A 94 -1.049 11.670 -27.154 1.00 0.00 C ATOM 1466 O ALA A 94 -1.533 12.633 -27.749 1.00 0.00 O ATOM 1467 CB ALA A 94 0.379 9.914 -28.219 1.00 0.00 C ATOM 0 H ALA A 94 1.522 10.126 -26.054 1.00 0.00 H new ATOM 0 HA ALA A 94 0.868 11.988 -28.029 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -0.185 10.046 -29.142 1.00 0.00 H new ATOM 0 HB2 ALA A 94 1.405 9.632 -28.458 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -0.083 9.129 -27.621 1.00 0.00 H new ATOM 1473 N THR A 95 -1.721 10.969 -26.246 1.00 0.00 N ATOM 1474 CA THR A 95 -3.095 11.298 -25.890 1.00 0.00 C ATOM 1475 C THR A 95 -3.201 12.727 -25.368 1.00 0.00 C ATOM 1476 O THR A 95 -4.063 13.492 -25.798 1.00 0.00 O ATOM 1477 CB THR A 95 -3.646 10.333 -24.823 1.00 0.00 C ATOM 1478 OG1 THR A 95 -3.302 8.984 -25.159 1.00 0.00 O ATOM 1479 CG2 THR A 95 -5.157 10.462 -24.705 1.00 0.00 C ATOM 0 H THR A 95 -1.335 10.169 -25.744 1.00 0.00 H new ATOM 0 HA THR A 95 -3.688 11.200 -26.799 1.00 0.00 H new ATOM 0 HB THR A 95 -3.199 10.594 -23.863 1.00 0.00 H new ATOM 0 HG1 THR A 95 -3.654 8.377 -24.475 1.00 0.00 H new ATOM 0 HG21 THR A 95 -5.523 9.771 -23.946 1.00 0.00 H new ATOM 0 HG22 THR A 95 -5.414 11.483 -24.421 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.618 10.225 -25.664 1.00 0.00 H new ATOM 1487 N ALA A 96 -2.318 13.080 -24.440 1.00 0.00 N ATOM 1488 CA ALA A 96 -2.311 14.418 -23.862 1.00 0.00 C ATOM 1489 C ALA A 96 -1.971 15.469 -24.914 1.00 0.00 C ATOM 1490 O ALA A 96 -2.440 16.604 -24.844 1.00 0.00 O ATOM 1491 CB ALA A 96 -1.325 14.488 -22.706 1.00 0.00 C ATOM 0 H ALA A 96 -1.598 12.458 -24.072 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.312 14.629 -23.485 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -1.330 15.493 -22.284 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -1.613 13.770 -21.938 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -0.324 14.251 -23.067 1.00 0.00 H new ATOM 1497 N GLU A 97 -1.152 15.082 -25.887 1.00 0.00 N ATOM 1498 CA GLU A 97 -0.748 15.992 -26.953 1.00 0.00 C ATOM 1499 C GLU A 97 -1.906 16.253 -27.912 1.00 0.00 C ATOM 1500 O GLU A 97 -2.055 17.356 -28.439 1.00 0.00 O ATOM 1501 CB GLU A 97 0.445 15.418 -27.719 1.00 0.00 C ATOM 1502 CG GLU A 97 1.275 16.473 -28.431 1.00 0.00 C ATOM 1503 CD GLU A 97 1.903 15.957 -29.711 1.00 0.00 C ATOM 1504 OE1 GLU A 97 1.153 15.474 -30.585 1.00 0.00 O ATOM 1505 OE2 GLU A 97 3.142 16.035 -29.839 1.00 0.00 O ATOM 0 H GLU A 97 -0.755 14.145 -25.959 1.00 0.00 H new ATOM 0 HA GLU A 97 -0.456 16.938 -26.498 1.00 0.00 H new ATOM 0 HB2 GLU A 97 1.084 14.873 -27.024 1.00 0.00 H new ATOM 0 HB3 GLU A 97 0.083 14.697 -28.452 1.00 0.00 H new ATOM 0 HG2 GLU A 97 0.644 17.332 -28.661 1.00 0.00 H new ATOM 0 HG3 GLU A 97 2.060 16.824 -27.762 1.00 0.00 H new ATOM 1512 N LYS A 98 -2.723 15.229 -28.136 1.00 0.00 N ATOM 1513 CA LYS A 98 -3.868 15.345 -29.032 1.00 0.00 C ATOM 1514 C LYS A 98 -4.791 16.476 -28.590 1.00 0.00 C ATOM 1515 O LYS A 98 -5.453 17.108 -29.414 1.00 0.00 O ATOM 1516 CB LYS A 98 -4.643 14.027 -29.075 1.00 0.00 C ATOM 1517 CG LYS A 98 -3.835 12.864 -29.623 1.00 0.00 C ATOM 1518 CD LYS A 98 -4.242 12.524 -31.047 1.00 0.00 C ATOM 1519 CE LYS A 98 -3.502 11.299 -31.561 1.00 0.00 C ATOM 1520 NZ LYS A 98 -3.972 10.050 -30.900 1.00 0.00 N ATOM 0 H LYS A 98 -2.613 14.309 -27.709 1.00 0.00 H new ATOM 0 HA LYS A 98 -3.495 15.573 -30.031 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -4.981 13.781 -28.068 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -5.535 14.159 -29.688 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -2.774 13.112 -29.596 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -3.974 11.991 -28.986 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -5.316 12.344 -31.086 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -4.037 13.374 -31.698 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -3.643 11.215 -32.639 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -2.433 11.421 -31.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -3.544 9.227 -31.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -3.693 10.061 -29.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -5.008 9.989 -30.970 1.00 0.00 H new ATOM 1534 N PHE A 99 -4.830 16.727 -27.286 1.00 0.00 N ATOM 1535 CA PHE A 99 -5.673 17.783 -26.735 1.00 0.00 C ATOM 1536 C PHE A 99 -5.331 19.132 -27.360 1.00 0.00 C ATOM 1537 O PHE A 99 -6.152 20.050 -27.372 1.00 0.00 O ATOM 1538 CB PHE A 99 -5.508 17.855 -25.216 1.00 0.00 C ATOM 1539 CG PHE A 99 -6.365 16.870 -24.473 1.00 0.00 C ATOM 1540 CD1 PHE A 99 -7.648 17.209 -24.074 1.00 0.00 C ATOM 1541 CD2 PHE A 99 -5.887 15.605 -24.172 1.00 0.00 C ATOM 1542 CE1 PHE A 99 -8.439 16.305 -23.391 1.00 0.00 C ATOM 1543 CE2 PHE A 99 -6.673 14.696 -23.489 1.00 0.00 C ATOM 1544 CZ PHE A 99 -7.950 15.047 -23.097 1.00 0.00 C ATOM 0 H PHE A 99 -4.288 16.214 -26.591 1.00 0.00 H new ATOM 0 HA PHE A 99 -6.711 17.546 -26.970 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -4.463 17.678 -24.963 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -5.751 18.863 -24.879 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -8.034 18.192 -24.300 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -4.889 15.326 -24.475 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -9.438 16.582 -23.088 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -6.289 13.712 -23.262 1.00 0.00 H new ATOM 0 HZ PHE A 99 -8.565 14.339 -22.561 1.00 0.00 H new ATOM 1554 N LYS A 100 -4.113 19.247 -27.877 1.00 0.00 N ATOM 1555 CA LYS A 100 -3.660 20.483 -28.505 1.00 0.00 C ATOM 1556 C LYS A 100 -4.687 20.989 -29.512 1.00 0.00 C ATOM 1557 O LYS A 100 -4.827 22.194 -29.717 1.00 0.00 O ATOM 1558 CB LYS A 100 -2.314 20.263 -29.199 1.00 0.00 C ATOM 1559 CG LYS A 100 -1.621 21.553 -29.603 1.00 0.00 C ATOM 1560 CD LYS A 100 -0.450 21.288 -30.535 1.00 0.00 C ATOM 1561 CE LYS A 100 -0.921 20.985 -31.949 1.00 0.00 C ATOM 1562 NZ LYS A 100 0.165 21.184 -32.949 1.00 0.00 N ATOM 0 H LYS A 100 -3.420 18.498 -27.874 1.00 0.00 H new ATOM 0 HA LYS A 100 -3.541 21.235 -27.725 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -1.659 19.701 -28.533 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -2.468 19.650 -30.087 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -2.336 22.213 -30.094 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -1.268 22.072 -28.712 1.00 0.00 H new ATOM 0 HD2 LYS A 100 0.210 22.156 -30.548 1.00 0.00 H new ATOM 0 HD3 LYS A 100 0.134 20.449 -30.157 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -1.278 19.957 -32.000 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -1.765 21.628 -32.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -0.195 20.968 -33.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 0.489 22.172 -32.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 0.961 20.552 -32.728 1.00 0.00 H new ATOM 1576 N ASN A 101 -5.405 20.061 -30.137 1.00 0.00 N ATOM 1577 CA ASN A 101 -6.420 20.414 -31.122 1.00 0.00 C ATOM 1578 C ASN A 101 -7.385 21.454 -30.560 1.00 0.00 C ATOM 1579 O ASN A 101 -7.793 22.381 -31.260 1.00 0.00 O ATOM 1580 CB ASN A 101 -7.193 19.168 -31.558 1.00 0.00 C ATOM 1581 CG ASN A 101 -6.443 18.357 -32.597 1.00 0.00 C ATOM 1582 OD1 ASN A 101 -6.280 18.787 -33.738 1.00 0.00 O ATOM 1583 ND2 ASN A 101 -5.982 17.175 -32.204 1.00 0.00 N ATOM 0 H ASN A 101 -5.302 19.059 -29.978 1.00 0.00 H new ATOM 0 HA ASN A 101 -5.916 20.842 -31.988 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -7.391 18.543 -30.687 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -8.160 19.467 -31.963 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -5.469 16.584 -32.859 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -6.140 16.858 -31.247 1.00 0.00 H new ATOM 1590 N LYS A 102 -7.746 21.294 -29.291 1.00 0.00 N ATOM 1591 CA LYS A 102 -8.661 22.218 -28.633 1.00 0.00 C ATOM 1592 C LYS A 102 -8.064 22.738 -27.329 1.00 0.00 C ATOM 1593 O LYS A 102 -8.790 23.120 -26.411 1.00 0.00 O ATOM 1594 CB LYS A 102 -10.000 21.531 -28.355 1.00 0.00 C ATOM 1595 CG LYS A 102 -10.758 21.145 -29.613 1.00 0.00 C ATOM 1596 CD LYS A 102 -11.321 22.366 -30.322 1.00 0.00 C ATOM 1597 CE LYS A 102 -12.616 22.039 -31.050 1.00 0.00 C ATOM 1598 NZ LYS A 102 -13.802 22.177 -30.160 1.00 0.00 N ATOM 0 H LYS A 102 -7.418 20.532 -28.698 1.00 0.00 H new ATOM 0 HA LYS A 102 -8.826 23.064 -29.300 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -9.823 20.636 -27.759 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -10.622 22.195 -27.755 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -10.094 20.605 -30.288 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -11.571 20.466 -29.355 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -11.500 23.159 -29.596 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -10.588 22.745 -31.034 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -12.727 22.701 -31.909 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -12.568 21.021 -31.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -14.665 21.946 -30.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -13.708 21.527 -29.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -13.862 23.155 -29.811 1.00 0.00 H new ATOM 1612 N GLY A 103 -6.737 22.751 -27.254 1.00 0.00 N ATOM 1613 CA GLY A 103 -6.066 23.227 -26.059 1.00 0.00 C ATOM 1614 C GLY A 103 -4.668 23.740 -26.344 1.00 0.00 C ATOM 1615 O GLY A 103 -3.698 22.984 -26.286 1.00 0.00 O ATOM 0 H GLY A 103 -6.114 22.440 -28.000 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -6.657 24.024 -25.607 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -6.011 22.418 -25.330 1.00 0.00 H new ATOM 1619 N PHE A 104 -4.564 25.028 -26.654 1.00 0.00 N ATOM 1620 CA PHE A 104 -3.274 25.641 -26.952 1.00 0.00 C ATOM 1621 C PHE A 104 -2.347 25.573 -25.742 1.00 0.00 C ATOM 1622 O PHE A 104 -1.133 25.739 -25.865 1.00 0.00 O ATOM 1623 CB PHE A 104 -3.465 27.097 -27.382 1.00 0.00 C ATOM 1624 CG PHE A 104 -3.864 28.007 -26.256 1.00 0.00 C ATOM 1625 CD1 PHE A 104 -2.904 28.605 -25.457 1.00 0.00 C ATOM 1626 CD2 PHE A 104 -5.201 28.263 -25.996 1.00 0.00 C ATOM 1627 CE1 PHE A 104 -3.268 29.443 -24.420 1.00 0.00 C ATOM 1628 CE2 PHE A 104 -5.571 29.101 -24.961 1.00 0.00 C ATOM 1629 CZ PHE A 104 -4.604 29.690 -24.171 1.00 0.00 C ATOM 0 H PHE A 104 -5.357 25.668 -26.706 1.00 0.00 H new ATOM 0 HA PHE A 104 -2.816 25.085 -27.770 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -2.537 27.462 -27.822 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -4.226 27.141 -28.161 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -1.858 28.414 -25.647 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -5.962 27.803 -26.609 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -2.509 29.904 -23.805 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -6.616 29.295 -24.770 1.00 0.00 H new ATOM 0 HZ PHE A 104 -4.892 30.343 -23.360 1.00 0.00 H new ATOM 1639 N LYS A 105 -2.928 25.328 -24.573 1.00 0.00 N ATOM 1640 CA LYS A 105 -2.156 25.237 -23.339 1.00 0.00 C ATOM 1641 C LYS A 105 -2.115 23.800 -22.827 1.00 0.00 C ATOM 1642 O LYS A 105 -2.879 23.426 -21.938 1.00 0.00 O ATOM 1643 CB LYS A 105 -2.755 26.153 -22.270 1.00 0.00 C ATOM 1644 CG LYS A 105 -1.725 26.716 -21.305 1.00 0.00 C ATOM 1645 CD LYS A 105 -0.712 27.594 -22.020 1.00 0.00 C ATOM 1646 CE LYS A 105 0.044 28.481 -21.043 1.00 0.00 C ATOM 1647 NZ LYS A 105 1.074 29.310 -21.729 1.00 0.00 N ATOM 0 H LYS A 105 -3.931 25.189 -24.454 1.00 0.00 H new ATOM 0 HA LYS A 105 -1.136 25.557 -23.554 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -3.272 26.979 -22.759 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -3.504 25.598 -21.706 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -2.229 27.296 -20.532 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -1.209 25.897 -20.804 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -0.006 26.967 -22.565 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -1.222 28.215 -22.757 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -0.660 29.132 -20.524 1.00 0.00 H new ATOM 0 HE3 LYS A 105 0.523 27.861 -20.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 1.567 29.900 -21.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 1.760 28.689 -22.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 0.615 29.921 -22.435 1.00 0.00 H new ATOM 1661 N VAL A 106 -1.218 23.000 -23.394 1.00 0.00 N ATOM 1662 CA VAL A 106 -1.076 21.605 -22.993 1.00 0.00 C ATOM 1663 C VAL A 106 0.386 21.250 -22.748 1.00 0.00 C ATOM 1664 O VAL A 106 1.270 21.668 -23.495 1.00 0.00 O ATOM 1665 CB VAL A 106 -1.652 20.654 -24.059 1.00 0.00 C ATOM 1666 CG1 VAL A 106 -0.904 20.809 -25.374 1.00 0.00 C ATOM 1667 CG2 VAL A 106 -1.597 19.214 -23.572 1.00 0.00 C ATOM 0 H VAL A 106 -0.579 23.294 -24.132 1.00 0.00 H new ATOM 0 HA VAL A 106 -1.637 21.483 -22.066 1.00 0.00 H new ATOM 0 HB VAL A 106 -2.696 20.917 -24.230 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -1.325 20.129 -26.115 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -0.999 21.835 -25.728 1.00 0.00 H new ATOM 0 HG13 VAL A 106 0.150 20.574 -25.223 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -2.008 18.555 -24.337 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -0.562 18.937 -23.372 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -2.182 19.117 -22.657 1.00 0.00 H new ATOM 1677 N GLU A 107 0.633 20.476 -21.695 1.00 0.00 N ATOM 1678 CA GLU A 107 1.989 20.065 -21.351 1.00 0.00 C ATOM 1679 C GLU A 107 1.988 18.693 -20.684 1.00 0.00 C ATOM 1680 O GLU A 107 1.019 18.307 -20.031 1.00 0.00 O ATOM 1681 CB GLU A 107 2.637 21.095 -20.424 1.00 0.00 C ATOM 1682 CG GLU A 107 3.208 22.298 -21.155 1.00 0.00 C ATOM 1683 CD GLU A 107 4.359 21.932 -22.071 1.00 0.00 C ATOM 1684 OE1 GLU A 107 4.098 21.570 -23.238 1.00 0.00 O ATOM 1685 OE2 GLU A 107 5.522 22.007 -21.622 1.00 0.00 O ATOM 0 H GLU A 107 -0.088 20.122 -21.066 1.00 0.00 H new ATOM 0 HA GLU A 107 2.568 20.001 -22.272 1.00 0.00 H new ATOM 0 HB2 GLU A 107 1.896 21.438 -19.701 1.00 0.00 H new ATOM 0 HB3 GLU A 107 3.434 20.612 -19.859 1.00 0.00 H new ATOM 0 HG2 GLU A 107 2.419 22.771 -21.740 1.00 0.00 H new ATOM 0 HG3 GLU A 107 3.548 23.033 -20.426 1.00 0.00 H new ATOM 1692 N THR A 108 3.084 17.959 -20.854 1.00 0.00 N ATOM 1693 CA THR A 108 3.210 16.629 -20.271 1.00 0.00 C ATOM 1694 C THR A 108 4.565 16.452 -19.594 1.00 0.00 C ATOM 1695 O THR A 108 5.572 16.996 -20.048 1.00 0.00 O ATOM 1696 CB THR A 108 3.034 15.530 -21.336 1.00 0.00 C ATOM 1697 OG1 THR A 108 4.193 15.469 -22.174 1.00 0.00 O ATOM 1698 CG2 THR A 108 1.800 15.793 -22.186 1.00 0.00 C ATOM 0 H THR A 108 3.896 18.263 -21.390 1.00 0.00 H new ATOM 0 HA THR A 108 2.419 16.534 -19.527 1.00 0.00 H new ATOM 0 HB THR A 108 2.907 14.576 -20.824 1.00 0.00 H new ATOM 0 HG1 THR A 108 4.868 14.894 -21.757 1.00 0.00 H new ATOM 0 HG21 THR A 108 1.696 15.004 -22.931 1.00 0.00 H new ATOM 0 HG22 THR A 108 0.916 15.809 -21.549 1.00 0.00 H new ATOM 0 HG23 THR A 108 1.902 16.755 -22.688 1.00 0.00 H new ATOM 1706 N ASP A 109 4.582 15.689 -18.507 1.00 0.00 N ATOM 1707 CA ASP A 109 5.814 15.439 -17.768 1.00 0.00 C ATOM 1708 C ASP A 109 6.529 16.747 -17.445 1.00 0.00 C ATOM 1709 O ASP A 109 7.722 16.895 -17.708 1.00 0.00 O ATOM 1710 CB ASP A 109 6.739 14.523 -18.571 1.00 0.00 C ATOM 1711 CG ASP A 109 5.973 13.573 -19.471 1.00 0.00 C ATOM 1712 OD1 ASP A 109 5.351 12.627 -18.943 1.00 0.00 O ATOM 1713 OD2 ASP A 109 5.996 13.776 -20.702 1.00 0.00 O ATOM 0 H ASP A 109 3.757 15.233 -18.118 1.00 0.00 H new ATOM 0 HA ASP A 109 5.553 14.947 -16.831 1.00 0.00 H new ATOM 0 HB2 ASP A 109 7.411 15.131 -19.177 1.00 0.00 H new ATOM 0 HB3 ASP A 109 7.361 13.948 -17.885 1.00 0.00 H new ATOM 1718 N MET A 110 5.791 17.694 -16.874 1.00 0.00 N ATOM 1719 CA MET A 110 6.355 18.990 -16.515 1.00 0.00 C ATOM 1720 C MET A 110 6.955 18.952 -15.113 1.00 0.00 C ATOM 1721 O MET A 110 8.172 19.049 -14.945 1.00 0.00 O ATOM 1722 CB MET A 110 5.281 20.077 -16.594 1.00 0.00 C ATOM 1723 CG MET A 110 5.839 21.462 -16.878 1.00 0.00 C ATOM 1724 SD MET A 110 6.433 22.290 -15.390 1.00 0.00 S ATOM 1725 CE MET A 110 6.186 24.007 -15.836 1.00 0.00 C ATOM 0 H MET A 110 4.802 17.588 -16.650 1.00 0.00 H new ATOM 0 HA MET A 110 7.149 19.222 -17.225 1.00 0.00 H new ATOM 0 HB2 MET A 110 4.567 19.815 -17.375 1.00 0.00 H new ATOM 0 HB3 MET A 110 4.731 20.102 -15.654 1.00 0.00 H new ATOM 0 HG2 MET A 110 6.656 21.380 -17.594 1.00 0.00 H new ATOM 0 HG3 MET A 110 5.066 22.072 -17.345 1.00 0.00 H new ATOM 0 HE1 MET A 110 6.508 24.646 -15.014 1.00 0.00 H new ATOM 0 HE2 MET A 110 6.770 24.239 -16.726 1.00 0.00 H new ATOM 0 HE3 MET A 110 5.129 24.182 -16.039 1.00 0.00 H new TER 1735 MET A 110