USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=31 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 153:sc= -0.0683 (180deg=0) USER MOD Set 1.2: A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -116:sc= 0.0957 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 CYS SG : rot -35:sc= -0.0136 USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 113:sc= 1.3 USER MOD Single : A 8 ASN : amide:sc= 0 K(o=0,f=-2.1) USER MOD Single : A 10 SER OG : rot -57:sc= -0.218 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= -0.0392 X(o=-0.039,f=-0.0002) 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 20 CYS SG : rot 30:sc= -1.16 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= -0.594 USER MOD Single : A 40 ASN : amide:sc= 0.00659 K(o=0.0066,f=-5!) USER MOD Single : A 45 MET CE :methyl -121:sc= -0.113 (180deg=-0.951) 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 180:sc=-0.00618 USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 177:sc= 0.194 (180deg=0.191) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.108 K(o=-0.11,f=-3!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 MET CE :methyl -175:sc= 0 (180deg=-0.0287) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= -0.342 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 88 MET CE :methyl -117:sc= -0.88 (180deg=-4.11!) USER MOD Single : A 89 LYS NZ :NH3+ 159:sc= -0.0727 (180deg=-0.435) USER MOD Single : A 90 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0391) USER MOD Single : A 93 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0135) USER MOD Single : A 95 THR OG1 : rot 78:sc= 0.228 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 ASN : amide:sc= -0.0314 K(o=-0.031,f=-0.74) USER MOD Single : A 102 LYS NZ :NH3+ -161:sc= -0.025 (180deg=-0.263) USER MOD Single : A 105 LYS NZ :NH3+ -114:sc= 0.722 (180deg=-0.0396) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.239 -0.774 -1.383 1.00 0.00 N ATOM 2 CA MET A 1 2.141 0.117 -1.027 1.00 0.00 C ATOM 3 C MET A 1 1.195 0.313 -2.208 1.00 0.00 C ATOM 4 O MET A 1 1.410 -0.239 -3.288 1.00 0.00 O ATOM 5 CB MET A 1 2.684 1.471 -0.564 1.00 0.00 C ATOM 6 CG MET A 1 3.085 1.495 0.902 1.00 0.00 C ATOM 7 SD MET A 1 1.676 1.713 2.005 1.00 0.00 S ATOM 8 CE MET A 1 2.139 0.639 3.362 1.00 0.00 C ATOM 0 H1 MET A 1 3.186 -1.637 -0.806 1.00 0.00 H new ATOM 0 H2 MET A 1 3.169 -1.026 -2.390 1.00 0.00 H new ATOM 0 H3 MET A 1 4.145 -0.295 -1.208 1.00 0.00 H new ATOM 0 HA MET A 1 1.584 -0.342 -0.210 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.549 1.734 -1.173 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.927 2.236 -0.738 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.595 0.564 1.150 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.798 2.303 1.066 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.364 0.666 4.128 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.252 -0.381 2.996 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.083 0.978 3.789 1.00 0.00 H new ATOM 18 N THR A 2 0.146 1.101 -1.996 1.00 0.00 N ATOM 19 CA THR A 2 -0.833 1.368 -3.042 1.00 0.00 C ATOM 20 C THR A 2 -0.600 2.734 -3.678 1.00 0.00 C ATOM 21 O THR A 2 -0.607 3.758 -2.994 1.00 0.00 O ATOM 22 CB THR A 2 -2.271 1.309 -2.493 1.00 0.00 C ATOM 23 OG1 THR A 2 -2.460 0.104 -1.742 1.00 0.00 O ATOM 24 CG2 THR A 2 -3.285 1.372 -3.625 1.00 0.00 C ATOM 0 H THR A 2 -0.047 1.566 -1.109 1.00 0.00 H new ATOM 0 HA THR A 2 -0.708 0.592 -3.798 1.00 0.00 H new ATOM 0 HB THR A 2 -2.424 2.170 -1.842 1.00 0.00 H new ATOM 0 HG1 THR A 2 -3.376 0.075 -1.395 1.00 0.00 H new ATOM 0 HG21 THR A 2 -4.293 1.329 -3.213 1.00 0.00 H new ATOM 0 HG22 THR A 2 -3.158 2.304 -4.176 1.00 0.00 H new ATOM 0 HG23 THR A 2 -3.132 0.529 -4.298 1.00 0.00 H new ATOM 32 N LEU A 3 -0.394 2.742 -4.990 1.00 0.00 N ATOM 33 CA LEU A 3 -0.159 3.983 -5.720 1.00 0.00 C ATOM 34 C LEU A 3 -1.436 4.463 -6.404 1.00 0.00 C ATOM 35 O LEU A 3 -1.975 3.785 -7.279 1.00 0.00 O ATOM 36 CB LEU A 3 0.946 3.786 -6.759 1.00 0.00 C ATOM 37 CG LEU A 3 2.364 3.632 -6.209 1.00 0.00 C ATOM 38 CD1 LEU A 3 3.362 3.466 -7.345 1.00 0.00 C ATOM 39 CD2 LEU A 3 2.733 4.828 -5.344 1.00 0.00 C ATOM 0 H LEU A 3 -0.385 1.903 -5.570 1.00 0.00 H new ATOM 0 HA LEU A 3 0.155 4.742 -5.004 1.00 0.00 H new ATOM 0 HB2 LEU A 3 0.709 2.901 -7.349 1.00 0.00 H new ATOM 0 HB3 LEU A 3 0.932 4.637 -7.440 1.00 0.00 H new ATOM 0 HG LEU A 3 2.397 2.736 -5.589 1.00 0.00 H new ATOM 0 HD11 LEU A 3 4.366 3.358 -6.934 1.00 0.00 H new ATOM 0 HD12 LEU A 3 3.109 2.578 -7.924 1.00 0.00 H new ATOM 0 HD13 LEU A 3 3.327 4.343 -7.991 1.00 0.00 H new ATOM 0 HD21 LEU A 3 3.746 4.701 -4.961 1.00 0.00 H new ATOM 0 HD22 LEU A 3 2.682 5.738 -5.941 1.00 0.00 H new ATOM 0 HD23 LEU A 3 2.036 4.902 -4.509 1.00 0.00 H new ATOM 51 N CYS A 4 -1.912 5.635 -6.000 1.00 0.00 N ATOM 52 CA CYS A 4 -3.125 6.207 -6.574 1.00 0.00 C ATOM 53 C CYS A 4 -2.838 7.563 -7.210 1.00 0.00 C ATOM 54 O CYS A 4 -1.956 8.295 -6.763 1.00 0.00 O ATOM 55 CB CYS A 4 -4.204 6.351 -5.500 1.00 0.00 C ATOM 56 SG CYS A 4 -3.850 7.623 -4.265 1.00 0.00 S ATOM 0 H CYS A 4 -1.477 6.208 -5.277 1.00 0.00 H new ATOM 0 HA CYS A 4 -3.484 5.531 -7.350 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -5.153 6.583 -5.983 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -4.329 5.393 -4.994 1.00 0.00 H new ATOM 0 HG CYS A 4 -2.571 7.659 -4.033 1.00 0.00 H new ATOM 62 N ALA A 5 -3.589 7.891 -8.256 1.00 0.00 N ATOM 63 CA ALA A 5 -3.416 9.159 -8.953 1.00 0.00 C ATOM 64 C ALA A 5 -4.703 9.978 -8.932 1.00 0.00 C ATOM 65 O ALA A 5 -5.799 9.426 -8.838 1.00 0.00 O ATOM 66 CB ALA A 5 -2.967 8.917 -10.387 1.00 0.00 C ATOM 0 H ALA A 5 -4.323 7.296 -8.639 1.00 0.00 H new ATOM 0 HA ALA A 5 -2.645 9.728 -8.433 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -2.842 9.873 -10.895 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -2.019 8.380 -10.386 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -3.719 8.324 -10.909 1.00 0.00 H new ATOM 72 N MET A 6 -4.562 11.296 -9.018 1.00 0.00 N ATOM 73 CA MET A 6 -5.714 12.190 -9.009 1.00 0.00 C ATOM 74 C MET A 6 -5.972 12.759 -10.400 1.00 0.00 C ATOM 75 O MET A 6 -5.089 13.365 -11.007 1.00 0.00 O ATOM 76 CB MET A 6 -5.495 13.330 -8.012 1.00 0.00 C ATOM 77 CG MET A 6 -5.533 12.883 -6.560 1.00 0.00 C ATOM 78 SD MET A 6 -7.210 12.804 -5.901 1.00 0.00 S ATOM 79 CE MET A 6 -7.047 11.469 -4.718 1.00 0.00 C ATOM 0 H MET A 6 -3.662 11.769 -9.095 1.00 0.00 H new ATOM 0 HA MET A 6 -6.587 11.613 -8.704 1.00 0.00 H new ATOM 0 HB2 MET A 6 -4.532 13.799 -8.214 1.00 0.00 H new ATOM 0 HB3 MET A 6 -6.259 14.091 -8.169 1.00 0.00 H new ATOM 0 HG2 MET A 6 -5.066 11.902 -6.474 1.00 0.00 H new ATOM 0 HG3 MET A 6 -4.942 13.571 -5.956 1.00 0.00 H new ATOM 0 HE1 MET A 6 -8.005 11.300 -4.226 1.00 0.00 H new ATOM 0 HE2 MET A 6 -6.739 10.560 -5.235 1.00 0.00 H new ATOM 0 HE3 MET A 6 -6.298 11.734 -3.972 1.00 0.00 H new ATOM 89 N TYR A 7 -7.186 12.559 -10.900 1.00 0.00 N ATOM 90 CA TYR A 7 -7.559 13.050 -12.222 1.00 0.00 C ATOM 91 C TYR A 7 -8.546 14.208 -12.114 1.00 0.00 C ATOM 92 O TYR A 7 -9.716 14.013 -11.790 1.00 0.00 O ATOM 93 CB TYR A 7 -8.169 11.921 -13.054 1.00 0.00 C ATOM 94 CG TYR A 7 -8.042 12.132 -14.546 1.00 0.00 C ATOM 95 CD1 TYR A 7 -8.603 13.245 -15.161 1.00 0.00 C ATOM 96 CD2 TYR A 7 -7.361 11.219 -15.342 1.00 0.00 C ATOM 97 CE1 TYR A 7 -8.490 13.442 -16.523 1.00 0.00 C ATOM 98 CE2 TYR A 7 -7.242 11.408 -16.705 1.00 0.00 C ATOM 99 CZ TYR A 7 -7.808 12.521 -17.291 1.00 0.00 C ATOM 100 OH TYR A 7 -7.692 12.712 -18.649 1.00 0.00 O ATOM 0 H TYR A 7 -7.929 12.060 -10.410 1.00 0.00 H new ATOM 0 HA TYR A 7 -6.657 13.410 -12.716 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -7.686 10.981 -12.786 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -9.224 11.821 -12.798 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -9.137 13.969 -14.563 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -6.917 10.346 -14.887 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -8.933 14.312 -16.984 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -6.709 10.688 -17.309 1.00 0.00 H new ATOM 0 HH TYR A 7 -6.755 12.890 -18.875 1.00 0.00 H new ATOM 110 N ASN A 8 -8.063 15.416 -12.390 1.00 0.00 N ATOM 111 CA ASN A 8 -8.901 16.607 -12.325 1.00 0.00 C ATOM 112 C ASN A 8 -9.528 16.906 -13.684 1.00 0.00 C ATOM 113 O ASN A 8 -8.826 17.209 -14.649 1.00 0.00 O ATOM 114 CB ASN A 8 -8.080 17.809 -11.854 1.00 0.00 C ATOM 115 CG ASN A 8 -8.919 18.825 -11.103 1.00 0.00 C ATOM 116 OD1 ASN A 8 -9.468 19.753 -11.697 1.00 0.00 O ATOM 117 ND2 ASN A 8 -9.022 18.652 -9.791 1.00 0.00 N ATOM 0 H ASN A 8 -7.096 15.595 -12.661 1.00 0.00 H new ATOM 0 HA ASN A 8 -9.701 16.419 -11.609 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -7.271 17.463 -11.210 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -7.618 18.290 -12.716 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -9.574 19.303 -9.233 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -8.549 17.868 -9.341 1.00 0.00 H new ATOM 124 N ILE A 9 -10.852 16.821 -13.750 1.00 0.00 N ATOM 125 CA ILE A 9 -11.573 17.084 -14.989 1.00 0.00 C ATOM 126 C ILE A 9 -12.663 18.130 -14.779 1.00 0.00 C ATOM 127 O ILE A 9 -13.522 17.981 -13.911 1.00 0.00 O ATOM 128 CB ILE A 9 -12.211 15.801 -15.553 1.00 0.00 C ATOM 129 CG1 ILE A 9 -12.968 16.107 -16.847 1.00 0.00 C ATOM 130 CG2 ILE A 9 -13.141 15.175 -14.524 1.00 0.00 C ATOM 131 CD1 ILE A 9 -13.617 14.891 -17.470 1.00 0.00 C ATOM 0 H ILE A 9 -11.447 16.572 -12.960 1.00 0.00 H new ATOM 0 HA ILE A 9 -10.843 17.461 -15.705 1.00 0.00 H new ATOM 0 HB ILE A 9 -11.418 15.088 -15.779 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -13.736 16.853 -16.641 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -12.278 16.549 -17.566 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -13.584 14.269 -14.938 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -12.575 14.925 -13.627 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -13.931 15.882 -14.270 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -14.135 15.183 -18.383 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -12.852 14.152 -17.708 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -14.332 14.461 -16.769 1.00 0.00 H new ATOM 143 N SER A 10 -12.622 19.189 -15.583 1.00 0.00 N ATOM 144 CA SER A 10 -13.604 20.261 -15.484 1.00 0.00 C ATOM 145 C SER A 10 -14.176 20.603 -16.857 1.00 0.00 C ATOM 146 O SER A 10 -13.444 20.681 -17.843 1.00 0.00 O ATOM 147 CB SER A 10 -12.971 21.506 -14.859 1.00 0.00 C ATOM 148 OG SER A 10 -13.951 22.320 -14.239 1.00 0.00 O ATOM 0 H SER A 10 -11.919 19.326 -16.309 1.00 0.00 H new ATOM 0 HA SER A 10 -14.418 19.916 -14.846 1.00 0.00 H new ATOM 0 HB2 SER A 10 -12.224 21.208 -14.124 1.00 0.00 H new ATOM 0 HB3 SER A 10 -12.452 22.078 -15.627 1.00 0.00 H new ATOM 0 HG SER A 10 -14.637 22.564 -14.895 1.00 0.00 H new ATOM 154 N MET A 11 -15.488 20.804 -16.911 1.00 0.00 N ATOM 155 CA MET A 11 -16.159 21.138 -18.162 1.00 0.00 C ATOM 156 C MET A 11 -16.456 22.632 -18.238 1.00 0.00 C ATOM 157 O MET A 11 -16.446 23.328 -17.223 1.00 0.00 O ATOM 158 CB MET A 11 -17.457 20.340 -18.299 1.00 0.00 C ATOM 159 CG MET A 11 -18.037 20.360 -19.704 1.00 0.00 C ATOM 160 SD MET A 11 -19.441 19.244 -19.891 1.00 0.00 S ATOM 161 CE MET A 11 -20.808 20.375 -19.645 1.00 0.00 C ATOM 0 H MET A 11 -16.108 20.742 -16.103 1.00 0.00 H new ATOM 0 HA MET A 11 -15.492 20.876 -18.984 1.00 0.00 H new ATOM 0 HB2 MET A 11 -17.271 19.307 -18.006 1.00 0.00 H new ATOM 0 HB3 MET A 11 -18.195 20.741 -17.604 1.00 0.00 H new ATOM 0 HG2 MET A 11 -18.349 21.375 -19.950 1.00 0.00 H new ATOM 0 HG3 MET A 11 -17.261 20.084 -20.417 1.00 0.00 H new ATOM 0 HE1 MET A 11 -21.686 20.005 -20.174 1.00 0.00 H new ATOM 0 HE2 MET A 11 -21.031 20.451 -18.581 1.00 0.00 H new ATOM 0 HE3 MET A 11 -20.540 21.359 -20.031 1.00 0.00 H new ATOM 171 N ALA A 12 -16.721 23.118 -19.446 1.00 0.00 N ATOM 172 CA ALA A 12 -17.023 24.529 -19.653 1.00 0.00 C ATOM 173 C ALA A 12 -18.125 24.998 -18.709 1.00 0.00 C ATOM 174 O ALA A 12 -19.252 24.510 -18.763 1.00 0.00 O ATOM 175 CB ALA A 12 -17.424 24.777 -21.099 1.00 0.00 C ATOM 0 H ALA A 12 -16.733 22.555 -20.297 1.00 0.00 H new ATOM 0 HA ALA A 12 -16.123 25.104 -19.434 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -17.647 25.835 -21.239 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -16.605 24.488 -21.758 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -18.308 24.186 -21.338 1.00 0.00 H new ATOM 181 N GLY A 13 -17.790 25.949 -17.842 1.00 0.00 N ATOM 182 CA GLY A 13 -18.762 26.468 -16.897 1.00 0.00 C ATOM 183 C GLY A 13 -19.148 25.449 -15.844 1.00 0.00 C ATOM 184 O GLY A 13 -20.331 25.193 -15.621 1.00 0.00 O ATOM 0 H GLY A 13 -16.863 26.369 -17.777 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -18.353 27.353 -16.409 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -19.655 26.785 -17.436 1.00 0.00 H new ATOM 188 N SER A 14 -18.146 24.863 -15.194 1.00 0.00 N ATOM 189 CA SER A 14 -18.387 23.861 -14.162 1.00 0.00 C ATOM 190 C SER A 14 -17.161 23.696 -13.270 1.00 0.00 C ATOM 191 O SER A 14 -16.024 23.816 -13.728 1.00 0.00 O ATOM 192 CB SER A 14 -18.753 22.520 -14.799 1.00 0.00 C ATOM 193 OG SER A 14 -19.381 21.664 -13.861 1.00 0.00 O ATOM 0 H SER A 14 -17.161 25.065 -15.364 1.00 0.00 H new ATOM 0 HA SER A 14 -19.220 24.201 -13.547 1.00 0.00 H new ATOM 0 HB2 SER A 14 -19.418 22.686 -15.647 1.00 0.00 H new ATOM 0 HB3 SER A 14 -17.854 22.041 -15.188 1.00 0.00 H new ATOM 0 HG SER A 14 -19.606 20.814 -14.294 1.00 0.00 H new ATOM 199 N HIS A 15 -17.400 23.420 -11.992 1.00 0.00 N ATOM 200 CA HIS A 15 -16.315 23.237 -11.033 1.00 0.00 C ATOM 201 C HIS A 15 -15.481 22.008 -11.385 1.00 0.00 C ATOM 202 O HIS A 15 -15.915 21.124 -12.124 1.00 0.00 O ATOM 203 CB HIS A 15 -16.876 23.099 -9.617 1.00 0.00 C ATOM 204 CG HIS A 15 -17.038 24.407 -8.907 1.00 0.00 C ATOM 205 ND1 HIS A 15 -18.255 24.875 -8.459 1.00 0.00 N ATOM 206 CD2 HIS A 15 -16.127 25.349 -8.567 1.00 0.00 C ATOM 207 CE1 HIS A 15 -18.086 26.048 -7.875 1.00 0.00 C ATOM 208 NE2 HIS A 15 -16.803 26.358 -7.927 1.00 0.00 N ATOM 0 H HIS A 15 -18.334 23.318 -11.596 1.00 0.00 H new ATOM 0 HA HIS A 15 -15.672 24.116 -11.077 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -17.843 22.599 -9.665 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -16.215 22.458 -9.034 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -15.066 25.313 -8.763 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -18.864 26.651 -7.431 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -16.383 27.209 -7.553 1.00 0.00 H new ATOM 216 N PRO A 16 -14.255 21.951 -10.844 1.00 0.00 N ATOM 217 CA PRO A 16 -13.334 20.836 -11.087 1.00 0.00 C ATOM 218 C PRO A 16 -13.796 19.546 -10.418 1.00 0.00 C ATOM 219 O PRO A 16 -14.286 19.561 -9.288 1.00 0.00 O ATOM 220 CB PRO A 16 -12.021 21.319 -10.467 1.00 0.00 C ATOM 221 CG PRO A 16 -12.432 22.303 -9.427 1.00 0.00 C ATOM 222 CD PRO A 16 -13.673 22.969 -9.954 1.00 0.00 C ATOM 0 HA PRO A 16 -13.257 20.595 -12.147 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -11.462 20.492 -10.030 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -11.376 21.780 -11.215 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -12.629 21.807 -8.477 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -11.643 23.034 -9.248 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -14.357 23.238 -9.149 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -13.438 23.887 -10.493 1.00 0.00 H new ATOM 230 N THR A 17 -13.638 18.430 -11.122 1.00 0.00 N ATOM 231 CA THR A 17 -14.040 17.131 -10.597 1.00 0.00 C ATOM 232 C THR A 17 -12.826 16.256 -10.306 1.00 0.00 C ATOM 233 O THR A 17 -12.088 15.876 -11.216 1.00 0.00 O ATOM 234 CB THR A 17 -14.969 16.391 -11.577 1.00 0.00 C ATOM 235 OG1 THR A 17 -16.175 17.139 -11.769 1.00 0.00 O ATOM 236 CG2 THR A 17 -15.306 15.001 -11.059 1.00 0.00 C ATOM 0 H THR A 17 -13.234 18.400 -12.058 1.00 0.00 H new ATOM 0 HA THR A 17 -14.580 17.319 -9.669 1.00 0.00 H new ATOM 0 HB THR A 17 -14.449 16.290 -12.530 1.00 0.00 H new ATOM 0 HG1 THR A 17 -16.759 16.662 -12.395 1.00 0.00 H new ATOM 0 HG21 THR A 17 -15.963 14.498 -11.768 1.00 0.00 H new ATOM 0 HG22 THR A 17 -14.389 14.424 -10.942 1.00 0.00 H new ATOM 0 HG23 THR A 17 -15.808 15.084 -10.095 1.00 0.00 H new ATOM 244 N THR A 18 -12.623 15.938 -9.031 1.00 0.00 N ATOM 245 CA THR A 18 -11.497 15.108 -8.621 1.00 0.00 C ATOM 246 C THR A 18 -11.835 13.627 -8.740 1.00 0.00 C ATOM 247 O THR A 18 -12.599 13.088 -7.939 1.00 0.00 O ATOM 248 CB THR A 18 -11.075 15.412 -7.171 1.00 0.00 C ATOM 249 OG1 THR A 18 -11.369 16.777 -6.850 1.00 0.00 O ATOM 250 CG2 THR A 18 -9.590 15.148 -6.973 1.00 0.00 C ATOM 0 H THR A 18 -13.224 16.243 -8.265 1.00 0.00 H new ATOM 0 HA THR A 18 -10.669 15.344 -9.290 1.00 0.00 H new ATOM 0 HB THR A 18 -11.637 14.754 -6.508 1.00 0.00 H new ATOM 0 HG1 THR A 18 -11.099 16.961 -5.926 1.00 0.00 H new ATOM 0 HG21 THR A 18 -9.315 15.370 -5.942 1.00 0.00 H new ATOM 0 HG22 THR A 18 -9.375 14.102 -7.189 1.00 0.00 H new ATOM 0 HG23 THR A 18 -9.015 15.783 -7.646 1.00 0.00 H new ATOM 258 N ILE A 19 -11.260 12.973 -9.743 1.00 0.00 N ATOM 259 CA ILE A 19 -11.499 11.552 -9.965 1.00 0.00 C ATOM 260 C ILE A 19 -10.273 10.724 -9.596 1.00 0.00 C ATOM 261 O ILE A 19 -9.289 10.689 -10.336 1.00 0.00 O ATOM 262 CB ILE A 19 -11.875 11.267 -11.431 1.00 0.00 C ATOM 263 CG1 ILE A 19 -12.905 12.285 -11.923 1.00 0.00 C ATOM 264 CG2 ILE A 19 -12.411 9.850 -11.574 1.00 0.00 C ATOM 265 CD1 ILE A 19 -13.318 12.078 -13.364 1.00 0.00 C ATOM 0 H ILE A 19 -10.625 13.404 -10.415 1.00 0.00 H new ATOM 0 HA ILE A 19 -12.333 11.268 -9.323 1.00 0.00 H new ATOM 0 HB ILE A 19 -10.979 11.359 -12.045 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -13.790 12.231 -11.288 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -12.494 13.288 -11.812 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -12.672 9.663 -12.616 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -11.648 9.139 -11.258 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -13.297 9.732 -10.951 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -14.050 12.835 -13.645 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -12.443 12.162 -14.009 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -13.759 11.088 -13.477 1.00 0.00 H new ATOM 277 N CYS A 20 -10.339 10.057 -8.449 1.00 0.00 N ATOM 278 CA CYS A 20 -9.234 9.228 -7.982 1.00 0.00 C ATOM 279 C CYS A 20 -9.222 7.883 -8.701 1.00 0.00 C ATOM 280 O CYS A 20 -10.247 7.207 -8.795 1.00 0.00 O ATOM 281 CB CYS A 20 -9.336 9.011 -6.471 1.00 0.00 C ATOM 282 SG CYS A 20 -10.875 8.224 -5.940 1.00 0.00 S ATOM 0 H CYS A 20 -11.146 10.074 -7.826 1.00 0.00 H new ATOM 0 HA CYS A 20 -8.302 9.747 -8.206 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -8.496 8.398 -6.145 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -9.241 9.974 -5.969 1.00 0.00 H new ATOM 0 HG CYS A 20 -11.313 7.447 -6.885 1.00 0.00 H new ATOM 288 N VAL A 21 -8.055 7.500 -9.210 1.00 0.00 N ATOM 289 CA VAL A 21 -7.909 6.237 -9.922 1.00 0.00 C ATOM 290 C VAL A 21 -6.553 5.600 -9.639 1.00 0.00 C ATOM 291 O VAL A 21 -5.581 6.292 -9.335 1.00 0.00 O ATOM 292 CB VAL A 21 -8.067 6.427 -11.442 1.00 0.00 C ATOM 293 CG1 VAL A 21 -8.165 5.081 -12.142 1.00 0.00 C ATOM 294 CG2 VAL A 21 -9.285 7.286 -11.747 1.00 0.00 C ATOM 0 H VAL A 21 -7.197 8.047 -9.142 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.699 5.578 -9.562 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.184 6.942 -11.820 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -8.276 5.236 -13.215 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.260 4.505 -11.951 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -9.029 4.536 -11.763 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.382 7.410 -12.826 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -10.179 6.801 -11.356 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.168 8.263 -11.278 1.00 0.00 H new ATOM 304 N VAL A 22 -6.494 4.276 -9.742 1.00 0.00 N ATOM 305 CA VAL A 22 -5.256 3.545 -9.499 1.00 0.00 C ATOM 306 C VAL A 22 -4.136 4.043 -10.405 1.00 0.00 C ATOM 307 O VAL A 22 -4.389 4.571 -11.488 1.00 0.00 O ATOM 308 CB VAL A 22 -5.445 2.032 -9.719 1.00 0.00 C ATOM 309 CG1 VAL A 22 -4.223 1.265 -9.237 1.00 0.00 C ATOM 310 CG2 VAL A 22 -6.702 1.545 -9.014 1.00 0.00 C ATOM 0 H VAL A 22 -7.289 3.688 -9.992 1.00 0.00 H new ATOM 0 HA VAL A 22 -4.983 3.722 -8.459 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.560 1.849 -10.787 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.375 0.198 -9.401 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.344 1.595 -9.791 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -4.073 1.451 -8.174 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.820 0.474 -9.180 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -6.618 1.740 -7.945 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.569 2.072 -9.412 1.00 0.00 H new ATOM 320 N MET A 23 -2.897 3.871 -9.956 1.00 0.00 N ATOM 321 CA MET A 23 -1.738 4.302 -10.728 1.00 0.00 C ATOM 322 C MET A 23 -1.782 3.728 -12.141 1.00 0.00 C ATOM 323 O MET A 23 -1.532 4.437 -13.116 1.00 0.00 O ATOM 324 CB MET A 23 -0.445 3.872 -10.031 1.00 0.00 C ATOM 325 CG MET A 23 0.814 4.313 -10.759 1.00 0.00 C ATOM 326 SD MET A 23 1.438 3.057 -11.891 1.00 0.00 S ATOM 327 CE MET A 23 3.199 3.170 -11.584 1.00 0.00 C ATOM 0 H MET A 23 -2.670 3.436 -9.062 1.00 0.00 H new ATOM 0 HA MET A 23 -1.762 5.390 -10.795 1.00 0.00 H new ATOM 0 HB2 MET A 23 -0.433 4.282 -9.021 1.00 0.00 H new ATOM 0 HB3 MET A 23 -0.438 2.786 -9.935 1.00 0.00 H new ATOM 0 HG2 MET A 23 0.606 5.227 -11.315 1.00 0.00 H new ATOM 0 HG3 MET A 23 1.586 4.554 -10.028 1.00 0.00 H new ATOM 0 HE1 MET A 23 3.725 2.451 -12.213 1.00 0.00 H new ATOM 0 HE2 MET A 23 3.545 4.177 -11.817 1.00 0.00 H new ATOM 0 HE3 MET A 23 3.400 2.950 -10.536 1.00 0.00 H new ATOM 337 N ASP A 24 -2.101 2.443 -12.243 1.00 0.00 N ATOM 338 CA ASP A 24 -2.179 1.775 -13.537 1.00 0.00 C ATOM 339 C ASP A 24 -3.435 2.198 -14.293 1.00 0.00 C ATOM 340 O ASP A 24 -3.369 2.584 -15.460 1.00 0.00 O ATOM 341 CB ASP A 24 -2.167 0.257 -13.353 1.00 0.00 C ATOM 342 CG ASP A 24 -3.134 -0.204 -12.280 1.00 0.00 C ATOM 343 OD1 ASP A 24 -4.320 -0.420 -12.604 1.00 0.00 O ATOM 344 OD2 ASP A 24 -2.704 -0.348 -11.116 1.00 0.00 O ATOM 0 H ASP A 24 -2.310 1.843 -11.445 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.308 2.069 -14.123 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.422 -0.223 -14.298 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.159 -0.067 -13.093 1.00 0.00 H new ATOM 349 N ARG A 25 -4.578 2.122 -13.619 1.00 0.00 N ATOM 350 CA ARG A 25 -5.849 2.495 -14.228 1.00 0.00 C ATOM 351 C ARG A 25 -5.816 3.941 -14.714 1.00 0.00 C ATOM 352 O ARG A 25 -6.598 4.334 -15.580 1.00 0.00 O ATOM 353 CB ARG A 25 -6.992 2.309 -13.227 1.00 0.00 C ATOM 354 CG ARG A 25 -7.294 0.853 -12.912 1.00 0.00 C ATOM 355 CD ARG A 25 -8.690 0.687 -12.332 1.00 0.00 C ATOM 356 NE ARG A 25 -9.729 0.912 -13.333 1.00 0.00 N ATOM 357 CZ ARG A 25 -10.054 0.025 -14.268 1.00 0.00 C ATOM 358 NH1 ARG A 25 -9.423 -1.140 -14.329 1.00 0.00 N ATOM 359 NH2 ARG A 25 -11.011 0.303 -15.144 1.00 0.00 N ATOM 0 H ARG A 25 -4.650 1.806 -12.652 1.00 0.00 H new ATOM 0 HA ARG A 25 -6.016 1.845 -15.087 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.742 2.828 -12.302 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -7.891 2.780 -13.623 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -7.203 0.257 -13.820 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -6.557 0.472 -12.205 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -8.794 -0.317 -11.920 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -8.825 1.386 -11.506 1.00 0.00 H new ATOM 0 HE ARG A 25 -10.233 1.799 -13.314 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -8.687 -1.357 -13.657 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -9.674 -1.819 -15.047 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -11.498 1.198 -15.100 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -11.260 -0.378 -15.861 1.00 0.00 H new ATOM 373 N PHE A 26 -4.905 4.728 -14.151 1.00 0.00 N ATOM 374 CA PHE A 26 -4.770 6.131 -14.526 1.00 0.00 C ATOM 375 C PHE A 26 -4.647 6.280 -16.040 1.00 0.00 C ATOM 376 O PHE A 26 -5.352 7.081 -16.656 1.00 0.00 O ATOM 377 CB PHE A 26 -3.550 6.749 -13.841 1.00 0.00 C ATOM 378 CG PHE A 26 -3.669 8.231 -13.628 1.00 0.00 C ATOM 379 CD1 PHE A 26 -4.788 8.768 -13.013 1.00 0.00 C ATOM 380 CD2 PHE A 26 -2.662 9.087 -14.043 1.00 0.00 C ATOM 381 CE1 PHE A 26 -4.901 10.132 -12.815 1.00 0.00 C ATOM 382 CE2 PHE A 26 -2.769 10.451 -13.847 1.00 0.00 C ATOM 383 CZ PHE A 26 -3.890 10.974 -13.233 1.00 0.00 C ATOM 0 H PHE A 26 -4.249 4.418 -13.434 1.00 0.00 H new ATOM 0 HA PHE A 26 -5.667 6.657 -14.198 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -3.399 6.262 -12.877 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -2.664 6.546 -14.443 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -5.582 8.114 -12.684 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.784 8.684 -14.525 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.779 10.538 -12.334 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.976 11.108 -14.174 1.00 0.00 H new ATOM 0 HZ PHE A 26 -3.976 12.040 -13.080 1.00 0.00 H new ATOM 393 N LEU A 27 -3.747 5.503 -16.633 1.00 0.00 N ATOM 394 CA LEU A 27 -3.530 5.548 -18.075 1.00 0.00 C ATOM 395 C LEU A 27 -4.832 5.298 -18.830 1.00 0.00 C ATOM 396 O LEU A 27 -5.208 6.073 -19.709 1.00 0.00 O ATOM 397 CB LEU A 27 -2.482 4.511 -18.485 1.00 0.00 C ATOM 398 CG LEU A 27 -2.240 4.360 -19.987 1.00 0.00 C ATOM 399 CD1 LEU A 27 -2.099 5.723 -20.646 1.00 0.00 C ATOM 400 CD2 LEU A 27 -1.004 3.510 -20.245 1.00 0.00 C ATOM 0 H LEU A 27 -3.156 4.835 -16.138 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.168 6.543 -18.332 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.537 4.771 -18.009 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.783 3.542 -18.086 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.102 3.856 -20.425 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.927 5.594 -21.715 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.012 6.298 -20.492 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.256 6.255 -20.205 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.847 3.413 -21.319 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.134 3.986 -19.793 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.145 2.521 -19.808 1.00 0.00 H new ATOM 412 N GLU A 28 -5.515 4.214 -18.479 1.00 0.00 N ATOM 413 CA GLU A 28 -6.775 3.864 -19.123 1.00 0.00 C ATOM 414 C GLU A 28 -7.777 5.010 -19.016 1.00 0.00 C ATOM 415 O GLU A 28 -8.416 5.383 -20.000 1.00 0.00 O ATOM 416 CB GLU A 28 -7.362 2.599 -18.492 1.00 0.00 C ATOM 417 CG GLU A 28 -8.678 2.162 -19.114 1.00 0.00 C ATOM 418 CD GLU A 28 -9.326 1.016 -18.364 1.00 0.00 C ATOM 419 OE1 GLU A 28 -8.590 0.125 -17.891 1.00 0.00 O ATOM 420 OE2 GLU A 28 -10.570 1.009 -18.249 1.00 0.00 O ATOM 0 H GLU A 28 -5.217 3.563 -17.752 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.574 3.676 -20.178 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.639 1.788 -18.584 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.513 2.771 -17.426 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.363 3.009 -19.138 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.505 1.863 -20.148 1.00 0.00 H new ATOM 427 N SER A 29 -7.909 5.563 -17.815 1.00 0.00 N ATOM 428 CA SER A 29 -8.836 6.664 -17.578 1.00 0.00 C ATOM 429 C SER A 29 -8.566 7.818 -18.540 1.00 0.00 C ATOM 430 O SER A 29 -9.481 8.329 -19.186 1.00 0.00 O ATOM 431 CB SER A 29 -8.721 7.152 -16.133 1.00 0.00 C ATOM 432 OG SER A 29 -9.849 7.929 -15.767 1.00 0.00 O ATOM 0 H SER A 29 -7.386 5.267 -16.991 1.00 0.00 H new ATOM 0 HA SER A 29 -9.848 6.299 -17.751 1.00 0.00 H new ATOM 0 HB2 SER A 29 -8.631 6.297 -15.463 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.814 7.745 -16.017 1.00 0.00 H new ATOM 0 HG SER A 29 -9.753 8.228 -14.839 1.00 0.00 H new ATOM 438 N PHE A 30 -7.304 8.223 -18.628 1.00 0.00 N ATOM 439 CA PHE A 30 -6.912 9.317 -19.510 1.00 0.00 C ATOM 440 C PHE A 30 -7.253 8.994 -20.962 1.00 0.00 C ATOM 441 O PHE A 30 -7.747 9.847 -21.699 1.00 0.00 O ATOM 442 CB PHE A 30 -5.414 9.598 -19.375 1.00 0.00 C ATOM 443 CG PHE A 30 -4.989 10.895 -20.001 1.00 0.00 C ATOM 444 CD1 PHE A 30 -4.642 10.951 -21.342 1.00 0.00 C ATOM 445 CD2 PHE A 30 -4.934 12.057 -19.250 1.00 0.00 C ATOM 446 CE1 PHE A 30 -4.250 12.143 -21.921 1.00 0.00 C ATOM 447 CE2 PHE A 30 -4.543 13.252 -19.824 1.00 0.00 C ATOM 448 CZ PHE A 30 -4.200 13.295 -21.161 1.00 0.00 C ATOM 0 H PHE A 30 -6.535 7.811 -18.100 1.00 0.00 H new ATOM 0 HA PHE A 30 -7.469 10.206 -19.214 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.148 9.610 -18.318 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -4.856 8.782 -19.835 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -4.678 10.053 -21.941 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -5.200 12.029 -18.204 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -3.983 12.174 -22.967 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -4.506 14.151 -19.227 1.00 0.00 H new ATOM 0 HZ PHE A 30 -3.893 14.228 -21.611 1.00 0.00 H new ATOM 458 N SER A 31 -6.984 7.757 -21.365 1.00 0.00 N ATOM 459 CA SER A 31 -7.257 7.321 -22.729 1.00 0.00 C ATOM 460 C SER A 31 -8.730 7.512 -23.076 1.00 0.00 C ATOM 461 O SER A 31 -9.066 8.047 -24.132 1.00 0.00 O ATOM 462 CB SER A 31 -6.866 5.853 -22.907 1.00 0.00 C ATOM 463 OG SER A 31 -6.754 5.517 -24.279 1.00 0.00 O ATOM 0 H SER A 31 -6.577 7.039 -20.766 1.00 0.00 H new ATOM 0 HA SER A 31 -6.660 7.933 -23.405 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.918 5.663 -22.404 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.612 5.215 -22.433 1.00 0.00 H new ATOM 0 HG SER A 31 -6.502 4.574 -24.365 1.00 0.00 H new ATOM 469 N GLU A 32 -9.605 7.069 -22.178 1.00 0.00 N ATOM 470 CA GLU A 32 -11.043 7.190 -22.389 1.00 0.00 C ATOM 471 C GLU A 32 -11.496 8.638 -22.227 1.00 0.00 C ATOM 472 O GLU A 32 -12.463 9.072 -22.855 1.00 0.00 O ATOM 473 CB GLU A 32 -11.802 6.294 -21.409 1.00 0.00 C ATOM 474 CG GLU A 32 -13.283 6.167 -21.723 1.00 0.00 C ATOM 475 CD GLU A 32 -13.546 5.382 -22.993 1.00 0.00 C ATOM 476 OE1 GLU A 32 -12.574 4.857 -23.577 1.00 0.00 O ATOM 477 OE2 GLU A 32 -14.721 5.293 -23.405 1.00 0.00 O ATOM 0 H GLU A 32 -9.343 6.624 -21.298 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.263 6.870 -23.407 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.352 5.301 -21.414 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.686 6.692 -20.401 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -13.787 5.679 -20.888 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -13.717 7.162 -21.820 1.00 0.00 H new ATOM 484 N LEU A 33 -10.792 9.381 -21.380 1.00 0.00 N ATOM 485 CA LEU A 33 -11.122 10.781 -21.134 1.00 0.00 C ATOM 486 C LEU A 33 -10.966 11.609 -22.405 1.00 0.00 C ATOM 487 O LEU A 33 -11.809 12.450 -22.717 1.00 0.00 O ATOM 488 CB LEU A 33 -10.228 11.348 -20.029 1.00 0.00 C ATOM 489 CG LEU A 33 -10.803 12.525 -19.240 1.00 0.00 C ATOM 490 CD1 LEU A 33 -11.007 13.728 -20.147 1.00 0.00 C ATOM 491 CD2 LEU A 33 -12.112 12.130 -18.571 1.00 0.00 C ATOM 0 H LEU A 33 -9.989 9.038 -20.852 1.00 0.00 H new ATOM 0 HA LEU A 33 -12.163 10.833 -20.815 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.996 10.545 -19.329 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.285 11.662 -20.477 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.089 12.800 -18.463 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -11.417 14.555 -19.567 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.051 14.025 -20.578 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.700 13.467 -20.947 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -12.507 12.980 -18.014 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -12.832 11.828 -19.331 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.935 11.299 -17.888 1.00 0.00 H new ATOM 503 N TYR A 34 -9.884 11.364 -23.136 1.00 0.00 N ATOM 504 CA TYR A 34 -9.618 12.087 -24.374 1.00 0.00 C ATOM 505 C TYR A 34 -10.749 11.884 -25.377 1.00 0.00 C ATOM 506 O TYR A 34 -10.933 12.686 -26.293 1.00 0.00 O ATOM 507 CB TYR A 34 -8.293 11.627 -24.983 1.00 0.00 C ATOM 508 CG TYR A 34 -8.088 12.090 -26.407 1.00 0.00 C ATOM 509 CD1 TYR A 34 -7.968 13.441 -26.709 1.00 0.00 C ATOM 510 CD2 TYR A 34 -8.012 11.177 -27.452 1.00 0.00 C ATOM 511 CE1 TYR A 34 -7.781 13.869 -28.009 1.00 0.00 C ATOM 512 CE2 TYR A 34 -7.824 11.595 -28.755 1.00 0.00 C ATOM 513 CZ TYR A 34 -7.710 12.942 -29.028 1.00 0.00 C ATOM 514 OH TYR A 34 -7.523 13.365 -30.325 1.00 0.00 O ATOM 0 H TYR A 34 -9.177 10.670 -22.893 1.00 0.00 H new ATOM 0 HA TYR A 34 -9.552 13.149 -24.138 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.472 11.997 -24.368 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -8.248 10.538 -24.954 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -8.022 14.169 -25.913 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -8.102 10.122 -27.241 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -7.691 14.923 -28.226 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -7.767 10.872 -29.555 1.00 0.00 H new ATOM 0 HH TYR A 34 -7.494 12.588 -30.922 1.00 0.00 H new ATOM 524 N ASP A 35 -11.505 10.807 -25.197 1.00 0.00 N ATOM 525 CA ASP A 35 -12.620 10.497 -26.084 1.00 0.00 C ATOM 526 C ASP A 35 -13.897 11.186 -25.612 1.00 0.00 C ATOM 527 O ASP A 35 -14.512 11.951 -26.356 1.00 0.00 O ATOM 528 CB ASP A 35 -12.838 8.985 -26.156 1.00 0.00 C ATOM 529 CG ASP A 35 -12.493 8.415 -27.517 1.00 0.00 C ATOM 530 OD1 ASP A 35 -11.378 8.688 -28.010 1.00 0.00 O ATOM 531 OD2 ASP A 35 -13.337 7.695 -28.090 1.00 0.00 O ATOM 0 H ASP A 35 -11.366 10.133 -24.444 1.00 0.00 H new ATOM 0 HA ASP A 35 -12.375 10.868 -27.079 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -12.229 8.496 -25.396 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -13.879 8.759 -25.924 1.00 0.00 H new ATOM 536 N ILE A 36 -14.290 10.909 -24.373 1.00 0.00 N ATOM 537 CA ILE A 36 -15.493 11.502 -23.803 1.00 0.00 C ATOM 538 C ILE A 36 -15.393 13.023 -23.770 1.00 0.00 C ATOM 539 O ILE A 36 -16.392 13.724 -23.931 1.00 0.00 O ATOM 540 CB ILE A 36 -15.754 10.984 -22.377 1.00 0.00 C ATOM 541 CG1 ILE A 36 -17.076 11.539 -21.843 1.00 0.00 C ATOM 542 CG2 ILE A 36 -14.604 11.365 -21.456 1.00 0.00 C ATOM 543 CD1 ILE A 36 -17.432 11.031 -20.464 1.00 0.00 C ATOM 0 H ILE A 36 -13.793 10.278 -23.745 1.00 0.00 H new ATOM 0 HA ILE A 36 -16.324 11.209 -24.444 1.00 0.00 H new ATOM 0 HB ILE A 36 -15.824 9.897 -22.409 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -17.020 12.627 -21.817 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -17.876 11.278 -22.535 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -14.803 10.992 -20.451 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -13.678 10.926 -21.829 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -14.505 12.450 -21.427 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -18.381 11.466 -20.150 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -17.521 9.945 -20.488 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -16.651 11.315 -19.759 1.00 0.00 H new ATOM 555 N ILE A 37 -14.181 13.527 -23.561 1.00 0.00 N ATOM 556 CA ILE A 37 -13.951 14.965 -23.509 1.00 0.00 C ATOM 557 C ILE A 37 -14.214 15.613 -24.864 1.00 0.00 C ATOM 558 O ILE A 37 -14.555 16.793 -24.944 1.00 0.00 O ATOM 559 CB ILE A 37 -12.511 15.289 -23.068 1.00 0.00 C ATOM 560 CG1 ILE A 37 -12.391 16.766 -22.689 1.00 0.00 C ATOM 561 CG2 ILE A 37 -11.527 14.939 -24.174 1.00 0.00 C ATOM 562 CD1 ILE A 37 -12.511 17.020 -21.203 1.00 0.00 C ATOM 0 H ILE A 37 -13.344 12.961 -23.425 1.00 0.00 H new ATOM 0 HA ILE A 37 -14.647 15.370 -22.774 1.00 0.00 H new ATOM 0 HB ILE A 37 -12.271 14.687 -22.191 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -11.431 17.145 -23.038 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -13.165 17.330 -23.210 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -10.514 15.174 -23.847 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -11.598 13.875 -24.401 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -11.763 15.517 -25.067 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -12.416 18.088 -21.008 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -13.482 16.671 -20.852 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -11.721 16.484 -20.677 1.00 0.00 H new ATOM 574 N ASP A 38 -14.054 14.833 -25.927 1.00 0.00 N ATOM 575 CA ASP A 38 -14.277 15.329 -27.280 1.00 0.00 C ATOM 576 C ASP A 38 -15.665 15.948 -27.410 1.00 0.00 C ATOM 577 O ASP A 38 -15.883 16.838 -28.232 1.00 0.00 O ATOM 578 CB ASP A 38 -14.112 14.197 -28.295 1.00 0.00 C ATOM 579 CG ASP A 38 -13.813 14.710 -29.691 1.00 0.00 C ATOM 580 OD1 ASP A 38 -12.651 15.086 -29.948 1.00 0.00 O ATOM 581 OD2 ASP A 38 -14.742 14.733 -30.525 1.00 0.00 O ATOM 0 H ASP A 38 -13.771 13.854 -25.878 1.00 0.00 H new ATOM 0 HA ASP A 38 -13.535 16.100 -27.485 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -13.306 13.538 -27.973 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -15.022 13.598 -28.318 1.00 0.00 H new ATOM 586 N GLU A 39 -16.599 15.470 -26.594 1.00 0.00 N ATOM 587 CA GLU A 39 -17.967 15.976 -26.620 1.00 0.00 C ATOM 588 C GLU A 39 -18.251 16.838 -25.394 1.00 0.00 C ATOM 589 O GLU A 39 -17.353 17.130 -24.605 1.00 0.00 O ATOM 590 CB GLU A 39 -18.962 14.816 -26.683 1.00 0.00 C ATOM 591 CG GLU A 39 -18.773 13.916 -27.894 1.00 0.00 C ATOM 592 CD GLU A 39 -19.289 12.510 -27.662 1.00 0.00 C ATOM 593 OE1 GLU A 39 -18.918 11.903 -26.636 1.00 0.00 O ATOM 594 OE2 GLU A 39 -20.065 12.016 -28.507 1.00 0.00 O ATOM 0 H GLU A 39 -16.434 14.734 -25.907 1.00 0.00 H new ATOM 0 HA GLU A 39 -18.082 16.593 -27.511 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -18.867 14.217 -25.777 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -19.975 15.218 -26.694 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -19.289 14.352 -28.750 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -17.714 13.873 -28.148 1.00 0.00 H new ATOM 601 N ASN A 40 -19.508 17.244 -25.242 1.00 0.00 N ATOM 602 CA ASN A 40 -19.912 18.074 -24.113 1.00 0.00 C ATOM 603 C ASN A 40 -21.103 17.460 -23.384 1.00 0.00 C ATOM 604 O ASN A 40 -21.886 18.165 -22.748 1.00 0.00 O ATOM 605 CB ASN A 40 -20.263 19.484 -24.590 1.00 0.00 C ATOM 606 CG ASN A 40 -21.466 19.499 -25.514 1.00 0.00 C ATOM 607 OD1 ASN A 40 -21.761 18.508 -26.182 1.00 0.00 O ATOM 608 ND2 ASN A 40 -22.166 20.627 -25.555 1.00 0.00 N ATOM 0 H ASN A 40 -20.264 17.012 -25.886 1.00 0.00 H new ATOM 0 HA ASN A 40 -19.074 18.131 -23.418 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -20.464 20.117 -23.726 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -19.405 19.914 -25.108 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -22.986 20.697 -26.158 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -21.884 21.423 -24.983 1.00 0.00 H new ATOM 615 N ASP A 41 -21.233 16.141 -23.482 1.00 0.00 N ATOM 616 CA ASP A 41 -22.328 15.431 -22.831 1.00 0.00 C ATOM 617 C ASP A 41 -22.069 15.287 -21.335 1.00 0.00 C ATOM 618 O ASP A 41 -21.124 14.616 -20.919 1.00 0.00 O ATOM 619 CB ASP A 41 -22.516 14.051 -23.464 1.00 0.00 C ATOM 620 CG ASP A 41 -23.200 14.122 -24.815 1.00 0.00 C ATOM 621 OD1 ASP A 41 -24.233 14.815 -24.922 1.00 0.00 O ATOM 622 OD2 ASP A 41 -22.701 13.485 -25.766 1.00 0.00 O ATOM 0 H ASP A 41 -20.594 15.543 -24.006 1.00 0.00 H new ATOM 0 HA ASP A 41 -23.239 16.013 -22.969 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -21.544 13.571 -23.577 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -23.105 13.424 -22.794 1.00 0.00 H new ATOM 627 N THR A 42 -22.915 15.922 -20.529 1.00 0.00 N ATOM 628 CA THR A 42 -22.776 15.867 -19.080 1.00 0.00 C ATOM 629 C THR A 42 -23.452 14.624 -18.510 1.00 0.00 C ATOM 630 O THR A 42 -23.090 14.148 -17.433 1.00 0.00 O ATOM 631 CB THR A 42 -23.377 17.117 -18.410 1.00 0.00 C ATOM 632 OG1 THR A 42 -23.326 18.228 -19.312 1.00 0.00 O ATOM 633 CG2 THR A 42 -22.627 17.460 -17.132 1.00 0.00 C ATOM 0 H THR A 42 -23.704 16.480 -20.856 1.00 0.00 H new ATOM 0 HA THR A 42 -21.708 15.827 -18.866 1.00 0.00 H new ATOM 0 HB THR A 42 -24.415 16.903 -18.156 1.00 0.00 H new ATOM 0 HG1 THR A 42 -23.711 19.018 -18.880 1.00 0.00 H new ATOM 0 HG21 THR A 42 -23.070 18.346 -16.677 1.00 0.00 H new ATOM 0 HG22 THR A 42 -22.692 16.624 -16.436 1.00 0.00 H new ATOM 0 HG23 THR A 42 -21.581 17.656 -17.366 1.00 0.00 H new ATOM 641 N ASP A 43 -24.433 14.104 -19.238 1.00 0.00 N ATOM 642 CA ASP A 43 -25.159 12.915 -18.805 1.00 0.00 C ATOM 643 C ASP A 43 -24.223 11.715 -18.702 1.00 0.00 C ATOM 644 O ASP A 43 -24.472 10.784 -17.936 1.00 0.00 O ATOM 645 CB ASP A 43 -26.299 12.606 -19.776 1.00 0.00 C ATOM 646 CG ASP A 43 -27.219 11.516 -19.261 1.00 0.00 C ATOM 647 OD1 ASP A 43 -27.826 11.711 -18.187 1.00 0.00 O ATOM 648 OD2 ASP A 43 -27.333 10.470 -19.932 1.00 0.00 O ATOM 0 H ASP A 43 -24.744 14.487 -20.131 1.00 0.00 H new ATOM 0 HA ASP A 43 -25.577 13.113 -17.818 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -26.878 13.513 -19.952 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -25.882 12.302 -20.736 1.00 0.00 H new ATOM 653 N VAL A 44 -23.145 11.743 -19.479 1.00 0.00 N ATOM 654 CA VAL A 44 -22.171 10.658 -19.475 1.00 0.00 C ATOM 655 C VAL A 44 -21.063 10.917 -18.460 1.00 0.00 C ATOM 656 O VAL A 44 -20.438 9.984 -17.957 1.00 0.00 O ATOM 657 CB VAL A 44 -21.541 10.464 -20.867 1.00 0.00 C ATOM 658 CG1 VAL A 44 -20.890 11.754 -21.343 1.00 0.00 C ATOM 659 CG2 VAL A 44 -20.531 9.327 -20.841 1.00 0.00 C ATOM 0 H VAL A 44 -22.924 12.505 -20.119 1.00 0.00 H new ATOM 0 HA VAL A 44 -22.709 9.751 -19.198 1.00 0.00 H new ATOM 0 HB VAL A 44 -22.331 10.202 -21.571 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -20.450 11.598 -22.328 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -21.642 12.541 -21.402 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -20.111 12.049 -20.640 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -20.096 9.204 -21.833 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -19.742 9.557 -20.125 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -21.030 8.404 -20.547 1.00 0.00 H new ATOM 669 N MET A 45 -20.827 12.191 -18.163 1.00 0.00 N ATOM 670 CA MET A 45 -19.795 12.573 -17.205 1.00 0.00 C ATOM 671 C MET A 45 -19.980 11.833 -15.884 1.00 0.00 C ATOM 672 O MET A 45 -19.047 11.214 -15.373 1.00 0.00 O ATOM 673 CB MET A 45 -19.825 14.083 -16.967 1.00 0.00 C ATOM 674 CG MET A 45 -18.890 14.861 -17.878 1.00 0.00 C ATOM 675 SD MET A 45 -18.245 16.355 -17.101 1.00 0.00 S ATOM 676 CE MET A 45 -17.180 15.651 -15.846 1.00 0.00 C ATOM 0 H MET A 45 -21.335 12.975 -18.571 1.00 0.00 H new ATOM 0 HA MET A 45 -18.826 12.298 -17.622 1.00 0.00 H new ATOM 0 HB2 MET A 45 -20.843 14.445 -17.111 1.00 0.00 H new ATOM 0 HB3 MET A 45 -19.559 14.284 -15.929 1.00 0.00 H new ATOM 0 HG2 MET A 45 -18.058 14.220 -18.171 1.00 0.00 H new ATOM 0 HG3 MET A 45 -19.421 15.131 -18.791 1.00 0.00 H new ATOM 0 HE1 MET A 45 -17.504 15.989 -14.862 1.00 0.00 H new ATOM 0 HE2 MET A 45 -17.234 14.563 -15.892 1.00 0.00 H new ATOM 0 HE3 MET A 45 -16.153 15.971 -16.019 1.00 0.00 H new ATOM 686 N MET A 46 -21.188 11.904 -15.335 1.00 0.00 N ATOM 687 CA MET A 46 -21.494 11.240 -14.073 1.00 0.00 C ATOM 688 C MET A 46 -21.225 9.742 -14.168 1.00 0.00 C ATOM 689 O MET A 46 -20.628 9.151 -13.268 1.00 0.00 O ATOM 690 CB MET A 46 -22.953 11.485 -13.684 1.00 0.00 C ATOM 691 CG MET A 46 -23.944 11.102 -14.770 1.00 0.00 C ATOM 692 SD MET A 46 -25.632 11.602 -14.379 1.00 0.00 S ATOM 693 CE MET A 46 -26.178 10.209 -13.395 1.00 0.00 C ATOM 0 H MET A 46 -21.971 12.414 -15.744 1.00 0.00 H new ATOM 0 HA MET A 46 -20.846 11.659 -13.304 1.00 0.00 H new ATOM 0 HB2 MET A 46 -23.180 10.919 -12.781 1.00 0.00 H new ATOM 0 HB3 MET A 46 -23.083 12.539 -13.440 1.00 0.00 H new ATOM 0 HG2 MET A 46 -23.642 11.562 -15.711 1.00 0.00 H new ATOM 0 HG3 MET A 46 -23.914 10.023 -14.919 1.00 0.00 H new ATOM 0 HE1 MET A 46 -27.208 10.370 -13.077 1.00 0.00 H new ATOM 0 HE2 MET A 46 -26.120 9.298 -13.991 1.00 0.00 H new ATOM 0 HE3 MET A 46 -25.539 10.110 -12.518 1.00 0.00 H new ATOM 703 N ASP A 47 -21.670 9.134 -15.262 1.00 0.00 N ATOM 704 CA ASP A 47 -21.478 7.704 -15.474 1.00 0.00 C ATOM 705 C ASP A 47 -19.993 7.361 -15.551 1.00 0.00 C ATOM 706 O ASP A 47 -19.556 6.329 -15.041 1.00 0.00 O ATOM 707 CB ASP A 47 -22.184 7.257 -16.755 1.00 0.00 C ATOM 708 CG ASP A 47 -23.640 6.906 -16.521 1.00 0.00 C ATOM 709 OD1 ASP A 47 -24.474 7.835 -16.473 1.00 0.00 O ATOM 710 OD2 ASP A 47 -23.946 5.703 -16.387 1.00 0.00 O ATOM 0 H ASP A 47 -22.166 9.609 -16.016 1.00 0.00 H new ATOM 0 HA ASP A 47 -21.912 7.175 -14.626 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -22.120 8.052 -17.498 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -21.666 6.391 -17.169 1.00 0.00 H new ATOM 715 N PHE A 48 -19.222 8.234 -16.192 1.00 0.00 N ATOM 716 CA PHE A 48 -17.786 8.023 -16.337 1.00 0.00 C ATOM 717 C PHE A 48 -17.089 8.077 -14.981 1.00 0.00 C ATOM 718 O PHE A 48 -16.291 7.201 -14.646 1.00 0.00 O ATOM 719 CB PHE A 48 -17.187 9.073 -17.274 1.00 0.00 C ATOM 720 CG PHE A 48 -15.685 9.076 -17.289 1.00 0.00 C ATOM 721 CD1 PHE A 48 -14.985 8.155 -18.051 1.00 0.00 C ATOM 722 CD2 PHE A 48 -14.974 10.001 -16.542 1.00 0.00 C ATOM 723 CE1 PHE A 48 -13.603 8.155 -18.067 1.00 0.00 C ATOM 724 CE2 PHE A 48 -13.592 10.006 -16.555 1.00 0.00 C ATOM 725 CZ PHE A 48 -12.906 9.081 -17.317 1.00 0.00 C ATOM 0 H PHE A 48 -19.567 9.094 -16.619 1.00 0.00 H new ATOM 0 HA PHE A 48 -17.631 7.033 -16.766 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -17.552 8.896 -18.286 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -17.541 10.060 -16.975 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -15.526 7.428 -18.639 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -15.505 10.726 -15.943 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -13.069 7.432 -18.665 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -13.049 10.733 -15.969 1.00 0.00 H new ATOM 0 HZ PHE A 48 -11.826 9.082 -17.326 1.00 0.00 H new ATOM 735 N ILE A 49 -17.395 9.112 -14.206 1.00 0.00 N ATOM 736 CA ILE A 49 -16.798 9.281 -12.887 1.00 0.00 C ATOM 737 C ILE A 49 -17.126 8.100 -11.980 1.00 0.00 C ATOM 738 O ILE A 49 -16.252 7.567 -11.296 1.00 0.00 O ATOM 739 CB ILE A 49 -17.279 10.580 -12.214 1.00 0.00 C ATOM 740 CG1 ILE A 49 -16.938 11.789 -13.087 1.00 0.00 C ATOM 741 CG2 ILE A 49 -16.654 10.723 -10.834 1.00 0.00 C ATOM 742 CD1 ILE A 49 -17.722 13.032 -12.730 1.00 0.00 C ATOM 0 H ILE A 49 -18.053 9.846 -14.469 1.00 0.00 H new ATOM 0 HA ILE A 49 -15.719 9.335 -13.033 1.00 0.00 H new ATOM 0 HB ILE A 49 -18.362 10.533 -12.099 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -15.873 12.003 -12.997 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -17.126 11.538 -14.131 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -17.003 11.646 -10.370 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -16.942 9.874 -10.214 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -15.568 10.752 -10.927 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -17.429 13.849 -13.389 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -18.788 12.836 -12.847 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -17.515 13.308 -11.696 1.00 0.00 H new ATOM 754 N SER A 50 -18.392 7.694 -11.981 1.00 0.00 N ATOM 755 CA SER A 50 -18.837 6.576 -11.156 1.00 0.00 C ATOM 756 C SER A 50 -18.307 5.254 -11.703 1.00 0.00 C ATOM 757 O SER A 50 -18.111 4.295 -10.955 1.00 0.00 O ATOM 758 CB SER A 50 -20.365 6.539 -11.091 1.00 0.00 C ATOM 759 OG SER A 50 -20.825 5.282 -10.627 1.00 0.00 O ATOM 0 H SER A 50 -19.127 8.122 -12.543 1.00 0.00 H new ATOM 0 HA SER A 50 -18.442 6.718 -10.150 1.00 0.00 H new ATOM 0 HB2 SER A 50 -20.723 7.328 -10.429 1.00 0.00 H new ATOM 0 HB3 SER A 50 -20.779 6.739 -12.079 1.00 0.00 H new ATOM 0 HG SER A 50 -21.804 5.284 -10.593 1.00 0.00 H new ATOM 765 N ARG A 51 -18.079 5.210 -13.011 1.00 0.00 N ATOM 766 CA ARG A 51 -17.574 4.006 -13.659 1.00 0.00 C ATOM 767 C ARG A 51 -16.133 3.728 -13.241 1.00 0.00 C ATOM 768 O ARG A 51 -15.787 2.604 -12.876 1.00 0.00 O ATOM 769 CB ARG A 51 -17.657 4.146 -15.180 1.00 0.00 C ATOM 770 CG ARG A 51 -16.985 3.010 -15.934 1.00 0.00 C ATOM 771 CD ARG A 51 -17.585 1.663 -15.562 1.00 0.00 C ATOM 772 NE ARG A 51 -16.910 0.558 -16.237 1.00 0.00 N ATOM 773 CZ ARG A 51 -17.391 -0.679 -16.283 1.00 0.00 C ATOM 774 NH1 ARG A 51 -18.545 -0.967 -15.698 1.00 0.00 N ATOM 775 NH2 ARG A 51 -16.718 -1.631 -16.916 1.00 0.00 N ATOM 0 H ARG A 51 -18.236 5.995 -13.643 1.00 0.00 H new ATOM 0 HA ARG A 51 -18.194 3.167 -13.344 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -18.705 4.197 -15.475 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -17.197 5.089 -15.475 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -17.089 3.172 -17.007 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -15.917 3.007 -15.714 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -17.520 1.523 -14.483 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -18.644 1.654 -15.821 1.00 0.00 H new ATOM 0 HE ARG A 51 -16.020 0.747 -16.699 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -19.066 -0.238 -15.211 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -18.912 -1.918 -15.735 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -15.830 -1.413 -17.368 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -17.089 -2.581 -16.951 1.00 0.00 H new ATOM 789 N PHE A 52 -15.296 4.758 -13.298 1.00 0.00 N ATOM 790 CA PHE A 52 -13.892 4.625 -12.928 1.00 0.00 C ATOM 791 C PHE A 52 -13.715 4.740 -11.416 1.00 0.00 C ATOM 792 O PHE A 52 -13.213 3.822 -10.768 1.00 0.00 O ATOM 793 CB PHE A 52 -13.052 5.692 -13.633 1.00 0.00 C ATOM 794 CG PHE A 52 -12.587 5.281 -15.001 1.00 0.00 C ATOM 795 CD1 PHE A 52 -13.395 5.476 -16.110 1.00 0.00 C ATOM 796 CD2 PHE A 52 -11.342 4.700 -15.178 1.00 0.00 C ATOM 797 CE1 PHE A 52 -12.970 5.097 -17.369 1.00 0.00 C ATOM 798 CE2 PHE A 52 -10.910 4.321 -16.435 1.00 0.00 C ATOM 799 CZ PHE A 52 -11.725 4.520 -17.532 1.00 0.00 C ATOM 0 H PHE A 52 -15.566 5.695 -13.597 1.00 0.00 H new ATOM 0 HA PHE A 52 -13.552 3.639 -13.243 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -13.638 6.607 -13.717 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -12.183 5.925 -13.017 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -14.368 5.929 -15.989 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -10.701 4.541 -14.323 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -13.610 5.252 -18.225 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -9.937 3.870 -16.559 1.00 0.00 H new ATOM 0 HZ PHE A 52 -11.390 4.225 -18.515 1.00 0.00 H new ATOM 809 N ALA A 53 -14.131 5.874 -10.863 1.00 0.00 N ATOM 810 CA ALA A 53 -14.020 6.110 -9.429 1.00 0.00 C ATOM 811 C ALA A 53 -14.928 5.167 -8.646 1.00 0.00 C ATOM 812 O ALA A 53 -16.125 5.416 -8.508 1.00 0.00 O ATOM 813 CB ALA A 53 -14.355 7.558 -9.104 1.00 0.00 C ATOM 0 H ALA A 53 -14.548 6.644 -11.386 1.00 0.00 H new ATOM 0 HA ALA A 53 -12.990 5.912 -9.132 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -14.268 7.719 -8.030 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -13.663 8.218 -9.627 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -15.375 7.776 -9.422 1.00 0.00 H new ATOM 819 N ARG A 54 -14.350 4.085 -8.136 1.00 0.00 N ATOM 820 CA ARG A 54 -15.107 3.104 -7.368 1.00 0.00 C ATOM 821 C ARG A 54 -14.578 3.003 -5.941 1.00 0.00 C ATOM 822 O ARG A 54 -14.657 1.949 -5.310 1.00 0.00 O ATOM 823 CB ARG A 54 -15.041 1.733 -8.046 1.00 0.00 C ATOM 824 CG ARG A 54 -16.015 1.578 -9.202 1.00 0.00 C ATOM 825 CD ARG A 54 -16.423 0.126 -9.395 1.00 0.00 C ATOM 826 NE ARG A 54 -17.774 0.005 -9.937 1.00 0.00 N ATOM 827 CZ ARG A 54 -18.875 0.165 -9.211 1.00 0.00 C ATOM 828 NH1 ARG A 54 -18.785 0.451 -7.919 1.00 0.00 N ATOM 829 NH2 ARG A 54 -20.068 0.039 -9.776 1.00 0.00 N ATOM 0 H ARG A 54 -13.359 3.865 -8.241 1.00 0.00 H new ATOM 0 HA ARG A 54 -16.145 3.434 -7.329 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -14.028 1.566 -8.411 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -15.244 0.960 -7.305 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -16.901 2.185 -9.016 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -15.558 1.953 -10.117 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -15.718 -0.363 -10.067 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -16.367 -0.396 -8.440 1.00 0.00 H new ATOM 0 HE ARG A 54 -17.878 -0.214 -10.928 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -17.869 0.549 -7.481 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -19.632 0.573 -7.364 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -20.141 -0.181 -10.769 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -20.912 0.162 -9.217 1.00 0.00 H new ATOM 843 N THR A 55 -14.038 4.109 -5.436 1.00 0.00 N ATOM 844 CA THR A 55 -13.494 4.145 -4.085 1.00 0.00 C ATOM 845 C THR A 55 -13.853 5.450 -3.383 1.00 0.00 C ATOM 846 O THR A 55 -13.104 6.426 -3.445 1.00 0.00 O ATOM 847 CB THR A 55 -11.962 3.983 -4.091 1.00 0.00 C ATOM 848 OG1 THR A 55 -11.430 4.314 -2.803 1.00 0.00 O ATOM 849 CG2 THR A 55 -11.328 4.871 -5.151 1.00 0.00 C ATOM 0 H THR A 55 -13.966 4.991 -5.943 1.00 0.00 H new ATOM 0 HA THR A 55 -13.938 3.310 -3.543 1.00 0.00 H new ATOM 0 HB THR A 55 -11.729 2.944 -4.324 1.00 0.00 H new ATOM 0 HG1 THR A 55 -10.456 4.207 -2.814 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.246 4.739 -5.136 1.00 0.00 H new ATOM 0 HG22 THR A 55 -11.713 4.597 -6.133 1.00 0.00 H new ATOM 0 HG23 THR A 55 -11.570 5.914 -4.944 1.00 0.00 H new ATOM 857 N ASP A 56 -15.001 5.462 -2.716 1.00 0.00 N ATOM 858 CA ASP A 56 -15.458 6.648 -2.001 1.00 0.00 C ATOM 859 C ASP A 56 -14.562 6.938 -0.801 1.00 0.00 C ATOM 860 O ASP A 56 -14.240 8.091 -0.520 1.00 0.00 O ATOM 861 CB ASP A 56 -16.905 6.465 -1.539 1.00 0.00 C ATOM 862 CG ASP A 56 -17.065 5.301 -0.581 1.00 0.00 C ATOM 863 OD1 ASP A 56 -16.856 4.147 -1.010 1.00 0.00 O ATOM 864 OD2 ASP A 56 -17.400 5.545 0.597 1.00 0.00 O ATOM 0 H ASP A 56 -15.633 4.664 -2.655 1.00 0.00 H new ATOM 0 HA ASP A 56 -15.407 7.496 -2.684 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -17.247 7.380 -1.055 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -17.543 6.307 -2.408 1.00 0.00 H new ATOM 869 N GLU A 57 -14.164 5.882 -0.097 1.00 0.00 N ATOM 870 CA GLU A 57 -13.306 6.025 1.074 1.00 0.00 C ATOM 871 C GLU A 57 -11.834 5.908 0.687 1.00 0.00 C ATOM 872 O GLU A 57 -11.461 5.065 -0.129 1.00 0.00 O ATOM 873 CB GLU A 57 -13.655 4.966 2.121 1.00 0.00 C ATOM 874 CG GLU A 57 -14.905 5.290 2.922 1.00 0.00 C ATOM 875 CD GLU A 57 -14.892 4.664 4.303 1.00 0.00 C ATOM 876 OE1 GLU A 57 -14.068 3.755 4.533 1.00 0.00 O ATOM 877 OE2 GLU A 57 -15.706 5.083 5.152 1.00 0.00 O ATOM 0 H GLU A 57 -14.422 4.920 -0.317 1.00 0.00 H new ATOM 0 HA GLU A 57 -13.475 7.015 1.498 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -13.792 4.006 1.623 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -12.814 4.853 2.805 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -15.000 6.372 3.018 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -15.782 4.940 2.377 1.00 0.00 H new ATOM 884 N ILE A 58 -11.004 6.761 1.279 1.00 0.00 N ATOM 885 CA ILE A 58 -9.574 6.754 0.997 1.00 0.00 C ATOM 886 C ILE A 58 -8.773 6.357 2.232 1.00 0.00 C ATOM 887 O ILE A 58 -8.943 6.932 3.306 1.00 0.00 O ATOM 888 CB ILE A 58 -9.090 8.130 0.505 1.00 0.00 C ATOM 889 CG1 ILE A 58 -9.860 8.548 -0.749 1.00 0.00 C ATOM 890 CG2 ILE A 58 -7.594 8.098 0.229 1.00 0.00 C ATOM 891 CD1 ILE A 58 -9.738 10.021 -1.071 1.00 0.00 C ATOM 0 H ILE A 58 -11.297 7.465 1.956 1.00 0.00 H new ATOM 0 HA ILE A 58 -9.411 6.019 0.209 1.00 0.00 H new ATOM 0 HB ILE A 58 -9.280 8.866 1.287 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -9.498 7.968 -1.598 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -10.913 8.299 -0.619 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -7.267 9.078 -0.118 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.061 7.841 1.144 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -7.381 7.352 -0.537 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -10.309 10.245 -1.972 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -10.127 10.609 -0.239 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -8.690 10.272 -1.234 1.00 0.00 H new ATOM 903 N MET A 59 -7.897 5.370 2.071 1.00 0.00 N ATOM 904 CA MET A 59 -7.066 4.899 3.173 1.00 0.00 C ATOM 905 C MET A 59 -5.705 5.587 3.161 1.00 0.00 C ATOM 906 O MET A 59 -5.270 6.139 2.149 1.00 0.00 O ATOM 907 CB MET A 59 -6.884 3.382 3.089 1.00 0.00 C ATOM 908 CG MET A 59 -7.949 2.600 3.840 1.00 0.00 C ATOM 909 SD MET A 59 -8.186 0.939 3.180 1.00 0.00 S ATOM 910 CE MET A 59 -9.291 0.242 4.406 1.00 0.00 C ATOM 0 H MET A 59 -7.745 4.881 1.189 1.00 0.00 H new ATOM 0 HA MET A 59 -7.570 5.147 4.107 1.00 0.00 H new ATOM 0 HB2 MET A 59 -6.894 3.080 2.042 1.00 0.00 H new ATOM 0 HB3 MET A 59 -5.904 3.119 3.487 1.00 0.00 H new ATOM 0 HG2 MET A 59 -7.671 2.533 4.892 1.00 0.00 H new ATOM 0 HG3 MET A 59 -8.893 3.143 3.794 1.00 0.00 H new ATOM 0 HE1 MET A 59 -9.531 -0.787 4.137 1.00 0.00 H new ATOM 0 HE2 MET A 59 -8.807 0.258 5.383 1.00 0.00 H new ATOM 0 HE3 MET A 59 -10.208 0.830 4.446 1.00 0.00 H new ATOM 920 N PRO A 60 -5.015 5.556 4.310 1.00 0.00 N ATOM 921 CA PRO A 60 -3.693 6.173 4.457 1.00 0.00 C ATOM 922 C PRO A 60 -2.616 5.427 3.677 1.00 0.00 C ATOM 923 O PRO A 60 -1.698 6.038 3.131 1.00 0.00 O ATOM 924 CB PRO A 60 -3.424 6.081 5.961 1.00 0.00 C ATOM 925 CG PRO A 60 -4.243 4.926 6.423 1.00 0.00 C ATOM 926 CD PRO A 60 -5.472 4.916 5.556 1.00 0.00 C ATOM 0 HA PRO A 60 -3.673 7.191 4.068 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -2.365 5.922 6.165 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -3.712 7.000 6.472 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -3.690 3.992 6.326 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -4.508 5.032 7.475 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -5.831 3.902 5.379 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.292 5.469 6.015 1.00 0.00 H new ATOM 934 N GLU A 61 -2.735 4.104 3.629 1.00 0.00 N ATOM 935 CA GLU A 61 -1.770 3.276 2.915 1.00 0.00 C ATOM 936 C GLU A 61 -1.576 3.776 1.486 1.00 0.00 C ATOM 937 O GLU A 61 -0.493 3.649 0.915 1.00 0.00 O ATOM 938 CB GLU A 61 -2.230 1.817 2.898 1.00 0.00 C ATOM 939 CG GLU A 61 -3.701 1.646 2.556 1.00 0.00 C ATOM 940 CD GLU A 61 -3.986 0.340 1.841 1.00 0.00 C ATOM 941 OE1 GLU A 61 -3.158 -0.589 1.949 1.00 0.00 O ATOM 942 OE2 GLU A 61 -5.037 0.247 1.173 1.00 0.00 O ATOM 0 H GLU A 61 -3.489 3.583 4.076 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.816 3.343 3.438 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.631 1.264 2.174 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -2.039 1.373 3.875 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -4.291 1.691 3.472 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -4.023 2.477 1.929 1.00 0.00 H new ATOM 949 N ASP A 62 -2.632 4.345 0.916 1.00 0.00 N ATOM 950 CA ASP A 62 -2.579 4.865 -0.445 1.00 0.00 C ATOM 951 C ASP A 62 -1.777 6.161 -0.501 1.00 0.00 C ATOM 952 O ASP A 62 -1.908 7.023 0.369 1.00 0.00 O ATOM 953 CB ASP A 62 -3.993 5.102 -0.979 1.00 0.00 C ATOM 954 CG ASP A 62 -4.097 4.856 -2.471 1.00 0.00 C ATOM 955 OD1 ASP A 62 -3.043 4.821 -3.142 1.00 0.00 O ATOM 956 OD2 ASP A 62 -5.231 4.699 -2.969 1.00 0.00 O ATOM 0 H ASP A 62 -3.536 4.458 1.376 1.00 0.00 H new ATOM 0 HA ASP A 62 -2.082 4.124 -1.071 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -4.690 4.447 -0.456 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -4.294 6.127 -0.761 1.00 0.00 H new ATOM 961 N LYS A 63 -0.946 6.293 -1.529 1.00 0.00 N ATOM 962 CA LYS A 63 -0.122 7.484 -1.699 1.00 0.00 C ATOM 963 C LYS A 63 -0.267 8.049 -3.109 1.00 0.00 C ATOM 964 O LYS A 63 -0.634 7.333 -4.041 1.00 0.00 O ATOM 965 CB LYS A 63 1.347 7.157 -1.418 1.00 0.00 C ATOM 966 CG LYS A 63 1.683 7.093 0.062 1.00 0.00 C ATOM 967 CD LYS A 63 2.831 6.135 0.332 1.00 0.00 C ATOM 968 CE LYS A 63 3.172 6.077 1.813 1.00 0.00 C ATOM 969 NZ LYS A 63 2.283 5.138 2.551 1.00 0.00 N ATOM 0 H LYS A 63 -0.825 5.589 -2.258 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.463 8.236 -0.988 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.592 6.201 -1.880 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.976 7.911 -1.893 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.947 8.088 0.420 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.804 6.776 0.622 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.565 5.138 -0.021 1.00 0.00 H new ATOM 0 HD3 LYS A 63 3.709 6.449 -0.233 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.210 5.766 1.935 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.085 7.074 2.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.580 5.089 3.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 1.301 5.477 2.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.346 4.192 2.124 1.00 0.00 H new ATOM 983 N THR A 64 0.024 9.337 -3.258 1.00 0.00 N ATOM 984 CA THR A 64 -0.074 9.998 -4.553 1.00 0.00 C ATOM 985 C THR A 64 1.050 9.554 -5.483 1.00 0.00 C ATOM 986 O THR A 64 2.225 9.597 -5.118 1.00 0.00 O ATOM 987 CB THR A 64 -0.028 11.531 -4.407 1.00 0.00 C ATOM 988 OG1 THR A 64 -0.894 11.948 -3.345 1.00 0.00 O ATOM 989 CG2 THR A 64 -0.443 12.211 -5.703 1.00 0.00 C ATOM 0 H THR A 64 0.330 9.944 -2.497 1.00 0.00 H new ATOM 0 HA THR A 64 -1.033 9.710 -4.983 1.00 0.00 H new ATOM 0 HB THR A 64 0.997 11.821 -4.175 1.00 0.00 H new ATOM 0 HG1 THR A 64 -0.858 12.923 -3.257 1.00 0.00 H new ATOM 0 HG21 THR A 64 -0.403 13.293 -5.575 1.00 0.00 H new ATOM 0 HG22 THR A 64 0.235 11.914 -6.503 1.00 0.00 H new ATOM 0 HG23 THR A 64 -1.460 11.914 -5.961 1.00 0.00 H new ATOM 997 N VAL A 65 0.682 9.128 -6.687 1.00 0.00 N ATOM 998 CA VAL A 65 1.659 8.678 -7.671 1.00 0.00 C ATOM 999 C VAL A 65 1.673 9.592 -8.891 1.00 0.00 C ATOM 1000 O VAL A 65 2.657 9.648 -9.627 1.00 0.00 O ATOM 1001 CB VAL A 65 1.372 7.235 -8.127 1.00 0.00 C ATOM 1002 CG1 VAL A 65 0.075 7.173 -8.919 1.00 0.00 C ATOM 1003 CG2 VAL A 65 2.534 6.696 -8.948 1.00 0.00 C ATOM 0 H VAL A 65 -0.286 9.085 -7.005 1.00 0.00 H new ATOM 0 HA VAL A 65 2.635 8.711 -7.186 1.00 0.00 H new ATOM 0 HB VAL A 65 1.259 6.608 -7.243 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.111 6.146 -9.233 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.750 7.517 -8.294 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.155 7.812 -9.798 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.315 5.676 -9.262 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.680 7.323 -9.828 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.441 6.703 -8.343 1.00 0.00 H new ATOM 1013 N GLY A 66 0.572 10.309 -9.098 1.00 0.00 N ATOM 1014 CA GLY A 66 0.478 11.212 -10.230 1.00 0.00 C ATOM 1015 C GLY A 66 -0.762 12.082 -10.176 1.00 0.00 C ATOM 1016 O GLY A 66 -1.689 11.807 -9.415 1.00 0.00 O ATOM 0 H GLY A 66 -0.256 10.280 -8.502 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.363 11.848 -10.258 1.00 0.00 H new ATOM 0 HA3 GLY A 66 0.472 10.633 -11.153 1.00 0.00 H new ATOM 1020 N PHE A 67 -0.779 13.137 -10.985 1.00 0.00 N ATOM 1021 CA PHE A 67 -1.913 14.052 -11.024 1.00 0.00 C ATOM 1022 C PHE A 67 -2.070 14.664 -12.413 1.00 0.00 C ATOM 1023 O PHE A 67 -1.085 14.963 -13.087 1.00 0.00 O ATOM 1024 CB PHE A 67 -1.738 15.160 -9.983 1.00 0.00 C ATOM 1025 CG PHE A 67 -0.451 15.921 -10.129 1.00 0.00 C ATOM 1026 CD1 PHE A 67 0.724 15.432 -9.582 1.00 0.00 C ATOM 1027 CD2 PHE A 67 -0.417 17.126 -10.812 1.00 0.00 C ATOM 1028 CE1 PHE A 67 1.910 16.130 -9.714 1.00 0.00 C ATOM 1029 CE2 PHE A 67 0.766 17.828 -10.948 1.00 0.00 C ATOM 1030 CZ PHE A 67 1.930 17.330 -10.397 1.00 0.00 C ATOM 0 H PHE A 67 -0.020 13.379 -11.622 1.00 0.00 H new ATOM 0 HA PHE A 67 -2.814 13.484 -10.792 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -2.573 15.856 -10.061 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -1.780 14.721 -8.986 1.00 0.00 H new ATOM 0 HD1 PHE A 67 0.713 14.494 -9.046 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -1.325 17.521 -11.243 1.00 0.00 H new ATOM 0 HE1 PHE A 67 2.819 15.737 -9.284 1.00 0.00 H new ATOM 0 HE2 PHE A 67 0.780 18.765 -11.485 1.00 0.00 H new ATOM 0 HZ PHE A 67 2.855 17.878 -10.500 1.00 0.00 H new ATOM 1040 N VAL A 68 -3.318 14.847 -12.834 1.00 0.00 N ATOM 1041 CA VAL A 68 -3.606 15.423 -14.142 1.00 0.00 C ATOM 1042 C VAL A 68 -4.632 16.546 -14.034 1.00 0.00 C ATOM 1043 O VAL A 68 -5.726 16.352 -13.505 1.00 0.00 O ATOM 1044 CB VAL A 68 -4.129 14.357 -15.123 1.00 0.00 C ATOM 1045 CG1 VAL A 68 -4.505 14.992 -16.453 1.00 0.00 C ATOM 1046 CG2 VAL A 68 -3.092 13.261 -15.320 1.00 0.00 C ATOM 0 H VAL A 68 -4.145 14.605 -12.288 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.668 15.827 -14.523 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.026 13.906 -14.698 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.872 14.223 -17.133 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.284 15.737 -16.293 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.628 15.472 -16.888 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.478 12.516 -16.016 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.177 13.694 -15.723 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.878 12.786 -14.362 1.00 0.00 H new ATOM 1056 N VAL A 69 -4.272 17.721 -14.541 1.00 0.00 N ATOM 1057 CA VAL A 69 -5.162 18.875 -14.503 1.00 0.00 C ATOM 1058 C VAL A 69 -5.812 19.112 -15.862 1.00 0.00 C ATOM 1059 O VAL A 69 -5.134 19.420 -16.842 1.00 0.00 O ATOM 1060 CB VAL A 69 -4.409 20.150 -14.078 1.00 0.00 C ATOM 1061 CG1 VAL A 69 -5.348 21.346 -14.070 1.00 0.00 C ATOM 1062 CG2 VAL A 69 -3.766 19.958 -12.713 1.00 0.00 C ATOM 0 H VAL A 69 -3.370 17.899 -14.983 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.935 18.655 -13.767 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.618 20.344 -14.803 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.799 22.238 -13.767 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.758 21.494 -15.069 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.162 21.165 -13.368 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.238 20.868 -12.428 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.538 19.740 -11.975 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.061 19.128 -12.757 1.00 0.00 H new ATOM 1072 N VAL A 70 -7.133 18.966 -15.913 1.00 0.00 N ATOM 1073 CA VAL A 70 -7.877 19.165 -17.150 1.00 0.00 C ATOM 1074 C VAL A 70 -9.020 20.154 -16.951 1.00 0.00 C ATOM 1075 O VAL A 70 -9.998 19.858 -16.268 1.00 0.00 O ATOM 1076 CB VAL A 70 -8.448 17.837 -17.682 1.00 0.00 C ATOM 1077 CG1 VAL A 70 -9.270 18.075 -18.940 1.00 0.00 C ATOM 1078 CG2 VAL A 70 -7.327 16.844 -17.947 1.00 0.00 C ATOM 0 H VAL A 70 -7.709 18.710 -15.111 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.175 19.568 -17.880 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.105 17.414 -16.923 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -9.665 17.126 -19.301 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -10.096 18.749 -18.713 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -8.638 18.521 -19.708 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.748 15.911 -18.322 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.643 17.257 -18.688 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.786 16.651 -17.021 1.00 0.00 H new ATOM 1088 N ASN A 71 -8.888 21.331 -17.555 1.00 0.00 N ATOM 1089 CA ASN A 71 -9.911 22.365 -17.444 1.00 0.00 C ATOM 1090 C ASN A 71 -10.456 22.741 -18.818 1.00 0.00 C ATOM 1091 O ASN A 71 -9.723 23.235 -19.674 1.00 0.00 O ATOM 1092 CB ASN A 71 -9.339 23.605 -16.753 1.00 0.00 C ATOM 1093 CG ASN A 71 -9.004 23.353 -15.296 1.00 0.00 C ATOM 1094 OD1 ASN A 71 -9.151 22.237 -14.798 1.00 0.00 O ATOM 1095 ND2 ASN A 71 -8.553 24.393 -14.604 1.00 0.00 N ATOM 0 H ASN A 71 -8.084 21.592 -18.126 1.00 0.00 H new ATOM 0 HA ASN A 71 -10.730 21.968 -16.844 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -8.441 23.928 -17.279 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -10.059 24.420 -16.821 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -8.313 24.284 -13.619 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -8.447 25.300 -15.058 1.00 0.00 H new ATOM 1102 N ALA A 72 -11.748 22.503 -19.021 1.00 0.00 N ATOM 1103 CA ALA A 72 -12.392 22.818 -20.290 1.00 0.00 C ATOM 1104 C ALA A 72 -12.730 24.302 -20.380 1.00 0.00 C ATOM 1105 O ALA A 72 -12.605 24.914 -21.441 1.00 0.00 O ATOM 1106 CB ALA A 72 -13.648 21.977 -20.468 1.00 0.00 C ATOM 0 H ALA A 72 -12.369 22.093 -18.323 1.00 0.00 H new ATOM 0 HA ALA A 72 -11.693 22.582 -21.092 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -14.119 22.223 -21.420 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -13.383 20.920 -20.457 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -14.344 22.185 -19.655 1.00 0.00 H new ATOM 1112 N ASP A 73 -13.159 24.876 -19.261 1.00 0.00 N ATOM 1113 CA ASP A 73 -13.515 26.289 -19.214 1.00 0.00 C ATOM 1114 C ASP A 73 -12.390 27.152 -19.776 1.00 0.00 C ATOM 1115 O ASP A 73 -12.619 28.016 -20.623 1.00 0.00 O ATOM 1116 CB ASP A 73 -13.828 26.710 -17.777 1.00 0.00 C ATOM 1117 CG ASP A 73 -13.870 28.217 -17.612 1.00 0.00 C ATOM 1118 OD1 ASP A 73 -14.698 28.865 -18.286 1.00 0.00 O ATOM 1119 OD2 ASP A 73 -13.076 28.747 -16.807 1.00 0.00 O ATOM 0 H ASP A 73 -13.269 24.384 -18.374 1.00 0.00 H new ATOM 0 HA ASP A 73 -14.403 26.435 -19.829 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -14.787 26.288 -17.478 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -13.075 26.295 -17.107 1.00 0.00 H new ATOM 1124 N LYS A 74 -11.173 26.913 -19.299 1.00 0.00 N ATOM 1125 CA LYS A 74 -10.011 27.667 -19.754 1.00 0.00 C ATOM 1126 C LYS A 74 -9.240 26.891 -20.816 1.00 0.00 C ATOM 1127 O LYS A 74 -8.324 27.421 -21.445 1.00 0.00 O ATOM 1128 CB LYS A 74 -9.091 27.987 -18.573 1.00 0.00 C ATOM 1129 CG LYS A 74 -9.632 29.071 -17.657 1.00 0.00 C ATOM 1130 CD LYS A 74 -8.551 29.615 -16.738 1.00 0.00 C ATOM 1131 CE LYS A 74 -7.515 30.417 -17.510 1.00 0.00 C ATOM 1132 NZ LYS A 74 -6.705 31.287 -16.612 1.00 0.00 N ATOM 0 H LYS A 74 -10.966 26.203 -18.597 1.00 0.00 H new ATOM 0 HA LYS A 74 -10.364 28.599 -20.195 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -8.930 27.079 -17.992 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.118 28.298 -18.955 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -10.044 29.883 -18.256 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.450 28.669 -17.060 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -9.005 30.246 -15.974 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.062 28.789 -16.221 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -6.855 29.736 -18.048 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -8.015 31.033 -18.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -6.010 31.817 -17.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -7.331 31.954 -16.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -6.207 30.698 -15.914 1.00 0.00 H new ATOM 1146 N LYS A 75 -9.617 25.632 -21.013 1.00 0.00 N ATOM 1147 CA LYS A 75 -8.964 24.783 -22.002 1.00 0.00 C ATOM 1148 C LYS A 75 -7.496 24.568 -21.650 1.00 0.00 C ATOM 1149 O LYS A 75 -6.618 24.676 -22.507 1.00 0.00 O ATOM 1150 CB LYS A 75 -9.079 25.405 -23.395 1.00 0.00 C ATOM 1151 CG LYS A 75 -10.495 25.813 -23.765 1.00 0.00 C ATOM 1152 CD LYS A 75 -11.368 24.601 -24.046 1.00 0.00 C ATOM 1153 CE LYS A 75 -12.803 25.006 -24.348 1.00 0.00 C ATOM 1154 NZ LYS A 75 -13.709 23.827 -24.421 1.00 0.00 N ATOM 0 H LYS A 75 -10.372 25.177 -20.500 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.466 23.815 -22.001 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.432 26.281 -23.447 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.711 24.693 -24.133 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.931 26.396 -22.954 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.471 26.457 -24.644 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -10.960 24.045 -24.890 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -11.351 23.932 -23.186 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -13.158 25.689 -23.576 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -12.836 25.548 -25.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -14.677 24.145 -24.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -13.386 23.187 -25.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -13.698 23.324 -23.511 1.00 0.00 H new ATOM 1168 N LEU A 76 -7.235 24.261 -20.384 1.00 0.00 N ATOM 1169 CA LEU A 76 -5.872 24.029 -19.918 1.00 0.00 C ATOM 1170 C LEU A 76 -5.604 22.539 -19.740 1.00 0.00 C ATOM 1171 O LEU A 76 -6.416 21.816 -19.163 1.00 0.00 O ATOM 1172 CB LEU A 76 -5.632 24.763 -18.597 1.00 0.00 C ATOM 1173 CG LEU A 76 -5.955 26.258 -18.591 1.00 0.00 C ATOM 1174 CD1 LEU A 76 -6.486 26.684 -17.231 1.00 0.00 C ATOM 1175 CD2 LEU A 76 -4.725 27.072 -18.965 1.00 0.00 C ATOM 0 H LEU A 76 -7.949 24.167 -19.662 1.00 0.00 H new ATOM 0 HA LEU A 76 -5.186 24.415 -20.672 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.228 24.280 -17.823 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.586 24.637 -18.319 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.729 26.445 -19.335 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.710 27.751 -17.246 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -7.394 26.125 -17.004 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.735 26.482 -16.467 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.974 28.133 -18.955 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.929 26.880 -18.246 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.390 26.787 -19.962 1.00 0.00 H new ATOM 1187 N MET A 77 -4.458 22.085 -20.238 1.00 0.00 N ATOM 1188 CA MET A 77 -4.081 20.681 -20.131 1.00 0.00 C ATOM 1189 C MET A 77 -2.687 20.536 -19.527 1.00 0.00 C ATOM 1190 O MET A 77 -1.697 20.964 -20.120 1.00 0.00 O ATOM 1191 CB MET A 77 -4.126 20.012 -21.506 1.00 0.00 C ATOM 1192 CG MET A 77 -5.536 19.744 -22.006 1.00 0.00 C ATOM 1193 SD MET A 77 -6.290 21.193 -22.769 1.00 0.00 S ATOM 1194 CE MET A 77 -7.997 20.992 -22.265 1.00 0.00 C ATOM 0 H MET A 77 -3.775 22.670 -20.720 1.00 0.00 H new ATOM 0 HA MET A 77 -4.796 20.188 -19.472 1.00 0.00 H new ATOM 0 HB2 MET A 77 -3.608 20.646 -22.226 1.00 0.00 H new ATOM 0 HB3 MET A 77 -3.580 19.070 -21.460 1.00 0.00 H new ATOM 0 HG2 MET A 77 -5.512 18.929 -22.729 1.00 0.00 H new ATOM 0 HG3 MET A 77 -6.156 19.413 -21.173 1.00 0.00 H new ATOM 0 HE1 MET A 77 -8.608 21.764 -22.734 1.00 0.00 H new ATOM 0 HE2 MET A 77 -8.354 20.009 -22.573 1.00 0.00 H new ATOM 0 HE3 MET A 77 -8.069 21.081 -21.181 1.00 0.00 H new ATOM 1204 N SER A 78 -2.619 19.931 -18.346 1.00 0.00 N ATOM 1205 CA SER A 78 -1.347 19.734 -17.661 1.00 0.00 C ATOM 1206 C SER A 78 -1.310 18.377 -16.964 1.00 0.00 C ATOM 1207 O SER A 78 -1.918 18.191 -15.910 1.00 0.00 O ATOM 1208 CB SER A 78 -1.115 20.850 -16.641 1.00 0.00 C ATOM 1209 OG SER A 78 -1.294 22.126 -17.231 1.00 0.00 O ATOM 0 H SER A 78 -3.429 19.569 -17.844 1.00 0.00 H new ATOM 0 HA SER A 78 -0.553 19.762 -18.407 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.805 20.732 -15.805 1.00 0.00 H new ATOM 0 HB3 SER A 78 -0.106 20.772 -16.235 1.00 0.00 H new ATOM 0 HG SER A 78 -1.142 22.822 -16.558 1.00 0.00 H new ATOM 1215 N VAL A 79 -0.590 17.432 -17.561 1.00 0.00 N ATOM 1216 CA VAL A 79 -0.472 16.092 -16.998 1.00 0.00 C ATOM 1217 C VAL A 79 0.913 15.867 -16.402 1.00 0.00 C ATOM 1218 O VAL A 79 1.928 16.138 -17.044 1.00 0.00 O ATOM 1219 CB VAL A 79 -0.742 15.011 -18.062 1.00 0.00 C ATOM 1220 CG1 VAL A 79 -2.153 15.146 -18.613 1.00 0.00 C ATOM 1221 CG2 VAL A 79 0.287 15.095 -19.179 1.00 0.00 C ATOM 0 H VAL A 79 -0.080 17.570 -18.434 1.00 0.00 H new ATOM 0 HA VAL A 79 -1.221 16.012 -16.210 1.00 0.00 H new ATOM 0 HB VAL A 79 -0.654 14.032 -17.592 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -2.326 14.374 -19.363 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -2.873 15.032 -17.802 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.273 16.129 -19.069 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.081 14.324 -19.922 1.00 0.00 H new ATOM 0 HG22 VAL A 79 0.233 16.077 -19.650 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.285 14.944 -18.767 1.00 0.00 H new ATOM 1231 N SER A 80 0.947 15.371 -15.169 1.00 0.00 N ATOM 1232 CA SER A 80 2.208 15.112 -14.484 1.00 0.00 C ATOM 1233 C SER A 80 2.065 13.951 -13.505 1.00 0.00 C ATOM 1234 O SER A 80 1.459 14.090 -12.442 1.00 0.00 O ATOM 1235 CB SER A 80 2.675 16.366 -13.742 1.00 0.00 C ATOM 1236 OG SER A 80 2.769 17.473 -14.620 1.00 0.00 O ATOM 0 H SER A 80 0.116 15.141 -14.624 1.00 0.00 H new ATOM 0 HA SER A 80 2.953 14.843 -15.233 1.00 0.00 H new ATOM 0 HB2 SER A 80 1.978 16.596 -12.936 1.00 0.00 H new ATOM 0 HB3 SER A 80 3.645 16.180 -13.282 1.00 0.00 H new ATOM 0 HG SER A 80 3.068 18.262 -14.121 1.00 0.00 H new ATOM 1242 N PHE A 81 2.629 12.805 -13.870 1.00 0.00 N ATOM 1243 CA PHE A 81 2.565 11.617 -13.026 1.00 0.00 C ATOM 1244 C PHE A 81 3.952 11.008 -12.838 1.00 0.00 C ATOM 1245 O PHE A 81 4.928 11.464 -13.433 1.00 0.00 O ATOM 1246 CB PHE A 81 1.619 10.582 -13.636 1.00 0.00 C ATOM 1247 CG PHE A 81 1.862 10.335 -15.098 1.00 0.00 C ATOM 1248 CD1 PHE A 81 1.306 11.167 -16.056 1.00 0.00 C ATOM 1249 CD2 PHE A 81 2.648 9.272 -15.513 1.00 0.00 C ATOM 1250 CE1 PHE A 81 1.528 10.942 -17.401 1.00 0.00 C ATOM 1251 CE2 PHE A 81 2.874 9.042 -16.857 1.00 0.00 C ATOM 1252 CZ PHE A 81 2.314 9.879 -17.803 1.00 0.00 C ATOM 0 H PHE A 81 3.136 12.673 -14.745 1.00 0.00 H new ATOM 0 HA PHE A 81 2.183 11.916 -12.050 1.00 0.00 H new ATOM 0 HB2 PHE A 81 1.724 9.642 -13.095 1.00 0.00 H new ATOM 0 HB3 PHE A 81 0.591 10.916 -13.498 1.00 0.00 H new ATOM 0 HD1 PHE A 81 0.692 12.001 -15.748 1.00 0.00 H new ATOM 0 HD2 PHE A 81 3.089 8.615 -14.778 1.00 0.00 H new ATOM 0 HE1 PHE A 81 1.087 11.597 -18.138 1.00 0.00 H new ATOM 0 HE2 PHE A 81 3.488 8.209 -17.167 1.00 0.00 H new ATOM 0 HZ PHE A 81 2.490 9.703 -18.854 1.00 0.00 H new ATOM 1262 N SER A 82 4.029 9.975 -12.005 1.00 0.00 N ATOM 1263 CA SER A 82 5.296 9.305 -11.735 1.00 0.00 C ATOM 1264 C SER A 82 5.997 8.923 -13.035 1.00 0.00 C ATOM 1265 O SER A 82 5.359 8.480 -13.990 1.00 0.00 O ATOM 1266 CB SER A 82 5.065 8.057 -10.880 1.00 0.00 C ATOM 1267 OG SER A 82 6.217 7.232 -10.860 1.00 0.00 O ATOM 0 H SER A 82 3.230 9.584 -11.506 1.00 0.00 H new ATOM 0 HA SER A 82 5.936 9.998 -11.188 1.00 0.00 H new ATOM 0 HB2 SER A 82 4.807 8.352 -9.863 1.00 0.00 H new ATOM 0 HB3 SER A 82 4.218 7.495 -11.273 1.00 0.00 H new ATOM 0 HG SER A 82 6.044 6.442 -10.306 1.00 0.00 H new ATOM 1273 N ASP A 83 7.314 9.096 -13.062 1.00 0.00 N ATOM 1274 CA ASP A 83 8.103 8.769 -14.244 1.00 0.00 C ATOM 1275 C ASP A 83 8.078 7.268 -14.516 1.00 0.00 C ATOM 1276 O ASP A 83 8.906 6.519 -13.996 1.00 0.00 O ATOM 1277 CB ASP A 83 9.546 9.243 -14.067 1.00 0.00 C ATOM 1278 CG ASP A 83 9.728 10.699 -14.449 1.00 0.00 C ATOM 1279 OD1 ASP A 83 9.294 11.575 -13.672 1.00 0.00 O ATOM 1280 OD2 ASP A 83 10.304 10.963 -15.526 1.00 0.00 O ATOM 0 H ASP A 83 7.857 9.461 -12.279 1.00 0.00 H new ATOM 0 HA ASP A 83 7.662 9.283 -15.098 1.00 0.00 H new ATOM 0 HB2 ASP A 83 9.847 9.102 -13.029 1.00 0.00 H new ATOM 0 HB3 ASP A 83 10.206 8.625 -14.676 1.00 0.00 H new ATOM 1285 N ILE A 84 7.123 6.836 -15.332 1.00 0.00 N ATOM 1286 CA ILE A 84 6.990 5.425 -15.673 1.00 0.00 C ATOM 1287 C ILE A 84 7.848 5.068 -16.882 1.00 0.00 C ATOM 1288 O ILE A 84 8.593 5.903 -17.395 1.00 0.00 O ATOM 1289 CB ILE A 84 5.525 5.053 -15.969 1.00 0.00 C ATOM 1290 CG1 ILE A 84 5.000 5.864 -17.155 1.00 0.00 C ATOM 1291 CG2 ILE A 84 4.661 5.283 -14.738 1.00 0.00 C ATOM 1292 CD1 ILE A 84 3.561 5.557 -17.507 1.00 0.00 C ATOM 0 H ILE A 84 6.430 7.443 -15.770 1.00 0.00 H new ATOM 0 HA ILE A 84 7.333 4.858 -14.808 1.00 0.00 H new ATOM 0 HB ILE A 84 5.479 3.995 -16.228 1.00 0.00 H new ATOM 0 HG12 ILE A 84 5.091 6.926 -16.927 1.00 0.00 H new ATOM 0 HG13 ILE A 84 5.628 5.669 -18.024 1.00 0.00 H new ATOM 0 HG21 ILE A 84 3.629 5.016 -14.963 1.00 0.00 H new ATOM 0 HG22 ILE A 84 5.025 4.665 -13.917 1.00 0.00 H new ATOM 0 HG23 ILE A 84 4.709 6.333 -14.451 1.00 0.00 H new ATOM 0 HD11 ILE A 84 3.256 6.168 -18.356 1.00 0.00 H new ATOM 0 HD12 ILE A 84 3.467 4.502 -17.766 1.00 0.00 H new ATOM 0 HD13 ILE A 84 2.922 5.779 -16.652 1.00 0.00 H new ATOM 1304 N ASP A 85 7.735 3.824 -17.333 1.00 0.00 N ATOM 1305 CA ASP A 85 8.499 3.357 -18.485 1.00 0.00 C ATOM 1306 C ASP A 85 8.338 4.308 -19.666 1.00 0.00 C ATOM 1307 O ASP A 85 7.338 5.018 -19.771 1.00 0.00 O ATOM 1308 CB ASP A 85 8.051 1.949 -18.883 1.00 0.00 C ATOM 1309 CG ASP A 85 9.138 1.179 -19.606 1.00 0.00 C ATOM 1310 OD1 ASP A 85 10.239 1.030 -19.035 1.00 0.00 O ATOM 1311 OD2 ASP A 85 8.888 0.724 -20.741 1.00 0.00 O ATOM 0 H ASP A 85 7.123 3.121 -16.919 1.00 0.00 H new ATOM 0 HA ASP A 85 9.552 3.330 -18.205 1.00 0.00 H new ATOM 0 HB2 ASP A 85 7.753 1.400 -17.990 1.00 0.00 H new ATOM 0 HB3 ASP A 85 7.171 2.018 -19.523 1.00 0.00 H new ATOM 1316 N GLU A 86 9.329 4.318 -20.551 1.00 0.00 N ATOM 1317 CA GLU A 86 9.298 5.185 -21.723 1.00 0.00 C ATOM 1318 C GLU A 86 8.300 4.668 -22.755 1.00 0.00 C ATOM 1319 O GLU A 86 7.623 5.447 -23.425 1.00 0.00 O ATOM 1320 CB GLU A 86 10.690 5.284 -22.350 1.00 0.00 C ATOM 1321 CG GLU A 86 11.268 3.942 -22.765 1.00 0.00 C ATOM 1322 CD GLU A 86 12.780 3.900 -22.662 1.00 0.00 C ATOM 1323 OE1 GLU A 86 13.293 3.666 -21.547 1.00 0.00 O ATOM 1324 OE2 GLU A 86 13.451 4.102 -23.696 1.00 0.00 O ATOM 0 H GLU A 86 10.163 3.736 -20.479 1.00 0.00 H new ATOM 0 HA GLU A 86 8.982 6.177 -21.401 1.00 0.00 H new ATOM 0 HB2 GLU A 86 10.640 5.934 -23.223 1.00 0.00 H new ATOM 0 HB3 GLU A 86 11.367 5.757 -21.638 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.843 3.158 -22.138 1.00 0.00 H new ATOM 0 HG3 GLU A 86 10.971 3.725 -23.791 1.00 0.00 H new ATOM 1331 N ASN A 87 8.214 3.347 -22.877 1.00 0.00 N ATOM 1332 CA ASN A 87 7.300 2.725 -23.828 1.00 0.00 C ATOM 1333 C ASN A 87 5.886 3.272 -23.661 1.00 0.00 C ATOM 1334 O ASN A 87 5.209 3.582 -24.641 1.00 0.00 O ATOM 1335 CB ASN A 87 7.297 1.206 -23.645 1.00 0.00 C ATOM 1336 CG ASN A 87 6.870 0.473 -24.902 1.00 0.00 C ATOM 1337 OD1 ASN A 87 5.718 0.562 -25.325 1.00 0.00 O ATOM 1338 ND2 ASN A 87 7.801 -0.258 -25.505 1.00 0.00 N ATOM 0 H ASN A 87 8.766 2.687 -22.329 1.00 0.00 H new ATOM 0 HA ASN A 87 7.645 2.962 -24.834 1.00 0.00 H new ATOM 0 HB2 ASN A 87 8.295 0.876 -23.356 1.00 0.00 H new ATOM 0 HB3 ASN A 87 6.625 0.943 -22.828 1.00 0.00 H new ATOM 0 HD21 ASN A 87 7.573 -0.774 -26.354 1.00 0.00 H new ATOM 0 HD22 ASN A 87 8.744 -0.303 -25.119 1.00 0.00 H new ATOM 1345 N MET A 88 5.446 3.388 -22.412 1.00 0.00 N ATOM 1346 CA MET A 88 4.113 3.899 -22.116 1.00 0.00 C ATOM 1347 C MET A 88 4.069 5.417 -22.259 1.00 0.00 C ATOM 1348 O MET A 88 3.022 5.993 -22.556 1.00 0.00 O ATOM 1349 CB MET A 88 3.691 3.497 -20.701 1.00 0.00 C ATOM 1350 CG MET A 88 2.201 3.231 -20.564 1.00 0.00 C ATOM 1351 SD MET A 88 1.735 1.582 -21.126 1.00 0.00 S ATOM 1352 CE MET A 88 0.879 1.973 -22.650 1.00 0.00 C ATOM 0 H MET A 88 5.993 3.135 -21.589 1.00 0.00 H new ATOM 0 HA MET A 88 3.417 3.463 -22.833 1.00 0.00 H new ATOM 0 HB2 MET A 88 4.240 2.602 -20.407 1.00 0.00 H new ATOM 0 HB3 MET A 88 3.976 4.288 -20.007 1.00 0.00 H new ATOM 0 HG2 MET A 88 1.909 3.351 -19.521 1.00 0.00 H new ATOM 0 HG3 MET A 88 1.649 3.976 -21.137 1.00 0.00 H new ATOM 0 HE1 MET A 88 -0.164 1.665 -22.571 1.00 0.00 H new ATOM 0 HE2 MET A 88 0.927 3.047 -22.829 1.00 0.00 H new ATOM 0 HE3 MET A 88 1.352 1.445 -23.478 1.00 0.00 H new ATOM 1362 N LYS A 89 5.212 6.061 -22.047 1.00 0.00 N ATOM 1363 CA LYS A 89 5.304 7.512 -22.153 1.00 0.00 C ATOM 1364 C LYS A 89 4.850 7.987 -23.530 1.00 0.00 C ATOM 1365 O LYS A 89 4.207 9.029 -23.658 1.00 0.00 O ATOM 1366 CB LYS A 89 6.740 7.973 -21.891 1.00 0.00 C ATOM 1367 CG LYS A 89 6.853 9.448 -21.548 1.00 0.00 C ATOM 1368 CD LYS A 89 8.207 9.778 -20.943 1.00 0.00 C ATOM 1369 CE LYS A 89 9.289 9.858 -22.008 1.00 0.00 C ATOM 1370 NZ LYS A 89 9.062 10.992 -22.946 1.00 0.00 N ATOM 0 H LYS A 89 6.088 5.600 -21.801 1.00 0.00 H new ATOM 0 HA LYS A 89 4.646 7.949 -21.402 1.00 0.00 H new ATOM 0 HB2 LYS A 89 7.158 7.386 -21.073 1.00 0.00 H new ATOM 0 HB3 LYS A 89 7.346 7.767 -22.773 1.00 0.00 H new ATOM 0 HG2 LYS A 89 6.700 10.044 -22.448 1.00 0.00 H new ATOM 0 HG3 LYS A 89 6.064 9.721 -20.847 1.00 0.00 H new ATOM 0 HD2 LYS A 89 8.147 10.728 -20.411 1.00 0.00 H new ATOM 0 HD3 LYS A 89 8.473 9.018 -20.209 1.00 0.00 H new ATOM 0 HE2 LYS A 89 10.262 9.972 -21.529 1.00 0.00 H new ATOM 0 HE3 LYS A 89 9.317 8.923 -22.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 9.957 11.238 -23.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 8.360 10.715 -23.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 8.711 11.815 -22.417 1.00 0.00 H new ATOM 1384 N LYS A 90 5.188 7.215 -24.558 1.00 0.00 N ATOM 1385 CA LYS A 90 4.813 7.555 -25.925 1.00 0.00 C ATOM 1386 C LYS A 90 3.297 7.639 -26.069 1.00 0.00 C ATOM 1387 O LYS A 90 2.767 8.610 -26.609 1.00 0.00 O ATOM 1388 CB LYS A 90 5.372 6.517 -26.902 1.00 0.00 C ATOM 1389 CG LYS A 90 5.641 7.071 -28.290 1.00 0.00 C ATOM 1390 CD LYS A 90 4.389 7.049 -29.151 1.00 0.00 C ATOM 1391 CE LYS A 90 4.687 7.482 -30.579 1.00 0.00 C ATOM 1392 NZ LYS A 90 5.110 8.908 -30.648 1.00 0.00 N ATOM 0 H LYS A 90 5.721 6.350 -24.470 1.00 0.00 H new ATOM 0 HA LYS A 90 5.237 8.531 -26.159 1.00 0.00 H new ATOM 0 HB2 LYS A 90 6.299 6.111 -26.496 1.00 0.00 H new ATOM 0 HB3 LYS A 90 4.668 5.689 -26.981 1.00 0.00 H new ATOM 0 HG2 LYS A 90 6.010 8.093 -28.209 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.425 6.486 -28.771 1.00 0.00 H new ATOM 0 HD2 LYS A 90 3.966 6.044 -29.155 1.00 0.00 H new ATOM 0 HD3 LYS A 90 3.637 7.709 -28.719 1.00 0.00 H new ATOM 0 HE2 LYS A 90 5.472 6.850 -30.994 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.800 7.336 -31.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 5.206 9.194 -31.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 4.396 9.505 -30.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 6.024 9.023 -30.166 1.00 0.00 H new ATOM 1406 N VAL A 91 2.603 6.615 -25.581 1.00 0.00 N ATOM 1407 CA VAL A 91 1.147 6.574 -25.653 1.00 0.00 C ATOM 1408 C VAL A 91 0.526 7.728 -24.874 1.00 0.00 C ATOM 1409 O VAL A 91 -0.291 8.481 -25.406 1.00 0.00 O ATOM 1410 CB VAL A 91 0.595 5.244 -25.107 1.00 0.00 C ATOM 1411 CG1 VAL A 91 -0.904 5.150 -25.346 1.00 0.00 C ATOM 1412 CG2 VAL A 91 1.320 4.067 -25.740 1.00 0.00 C ATOM 0 H VAL A 91 3.026 5.803 -25.132 1.00 0.00 H new ATOM 0 HA VAL A 91 0.879 6.664 -26.706 1.00 0.00 H new ATOM 0 HB VAL A 91 0.769 5.212 -24.031 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.276 4.204 -24.954 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.406 5.975 -24.840 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -1.106 5.204 -26.416 1.00 0.00 H new ATOM 0 HG21 VAL A 91 0.917 3.135 -25.343 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.179 4.092 -26.821 1.00 0.00 H new ATOM 0 HG23 VAL A 91 2.384 4.129 -25.511 1.00 0.00 H new ATOM 1422 N ILE A 92 0.920 7.862 -23.612 1.00 0.00 N ATOM 1423 CA ILE A 92 0.403 8.926 -22.760 1.00 0.00 C ATOM 1424 C ILE A 92 0.668 10.298 -23.371 1.00 0.00 C ATOM 1425 O ILE A 92 -0.220 11.149 -23.425 1.00 0.00 O ATOM 1426 CB ILE A 92 1.027 8.874 -21.353 1.00 0.00 C ATOM 1427 CG1 ILE A 92 0.725 7.530 -20.687 1.00 0.00 C ATOM 1428 CG2 ILE A 92 0.508 10.023 -20.501 1.00 0.00 C ATOM 1429 CD1 ILE A 92 1.663 7.196 -19.549 1.00 0.00 C ATOM 0 H ILE A 92 1.595 7.247 -23.157 1.00 0.00 H new ATOM 0 HA ILE A 92 -0.673 8.769 -22.678 1.00 0.00 H new ATOM 0 HB ILE A 92 2.108 8.977 -21.446 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -0.298 7.541 -20.312 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.781 6.741 -21.437 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.958 9.973 -19.509 1.00 0.00 H new ATOM 0 HG22 ILE A 92 0.770 10.971 -20.971 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.576 9.949 -20.412 1.00 0.00 H new ATOM 0 HD11 ILE A 92 1.390 6.230 -19.124 1.00 0.00 H new ATOM 0 HD12 ILE A 92 2.686 7.152 -19.922 1.00 0.00 H new ATOM 0 HD13 ILE A 92 1.590 7.965 -18.780 1.00 0.00 H new ATOM 1441 N LYS A 93 1.896 10.506 -23.834 1.00 0.00 N ATOM 1442 CA LYS A 93 2.280 11.773 -24.445 1.00 0.00 C ATOM 1443 C LYS A 93 1.429 12.062 -25.678 1.00 0.00 C ATOM 1444 O LYS A 93 1.015 13.198 -25.905 1.00 0.00 O ATOM 1445 CB LYS A 93 3.761 11.750 -24.828 1.00 0.00 C ATOM 1446 CG LYS A 93 4.296 13.101 -25.270 1.00 0.00 C ATOM 1447 CD LYS A 93 5.803 13.068 -25.463 1.00 0.00 C ATOM 1448 CE LYS A 93 6.189 12.271 -26.699 1.00 0.00 C ATOM 1449 NZ LYS A 93 5.933 13.033 -27.953 1.00 0.00 N ATOM 0 H LYS A 93 2.643 9.813 -23.798 1.00 0.00 H new ATOM 0 HA LYS A 93 2.112 12.565 -23.716 1.00 0.00 H new ATOM 0 HB2 LYS A 93 4.343 11.400 -23.975 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.908 11.029 -25.632 1.00 0.00 H new ATOM 0 HG2 LYS A 93 3.815 13.396 -26.203 1.00 0.00 H new ATOM 0 HG3 LYS A 93 4.040 13.856 -24.526 1.00 0.00 H new ATOM 0 HD2 LYS A 93 6.182 14.086 -25.552 1.00 0.00 H new ATOM 0 HD3 LYS A 93 6.274 12.629 -24.584 1.00 0.00 H new ATOM 0 HE2 LYS A 93 7.245 12.005 -26.645 1.00 0.00 H new ATOM 0 HE3 LYS A 93 5.626 11.338 -26.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 6.272 12.483 -28.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 4.912 13.206 -28.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 6.436 13.942 -27.916 1.00 0.00 H new ATOM 1463 N ALA A 94 1.171 11.026 -26.469 1.00 0.00 N ATOM 1464 CA ALA A 94 0.367 11.168 -27.676 1.00 0.00 C ATOM 1465 C ALA A 94 -1.051 11.618 -27.341 1.00 0.00 C ATOM 1466 O ALA A 94 -1.566 12.573 -27.925 1.00 0.00 O ATOM 1467 CB ALA A 94 0.338 9.858 -28.449 1.00 0.00 C ATOM 0 H ALA A 94 1.507 10.079 -26.295 1.00 0.00 H new ATOM 0 HA ALA A 94 0.826 11.935 -28.300 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -0.266 9.979 -29.348 1.00 0.00 H new ATOM 0 HB2 ALA A 94 1.354 9.578 -28.729 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -0.094 9.076 -27.824 1.00 0.00 H new ATOM 1473 N THR A 95 -1.680 10.924 -26.398 1.00 0.00 N ATOM 1474 CA THR A 95 -3.039 11.250 -25.986 1.00 0.00 C ATOM 1475 C THR A 95 -3.119 12.665 -25.424 1.00 0.00 C ATOM 1476 O THR A 95 -3.966 13.459 -25.833 1.00 0.00 O ATOM 1477 CB THR A 95 -3.559 10.260 -24.927 1.00 0.00 C ATOM 1478 OG1 THR A 95 -3.360 8.914 -25.376 1.00 0.00 O ATOM 1479 CG2 THR A 95 -5.036 10.493 -24.647 1.00 0.00 C ATOM 0 H THR A 95 -1.269 10.131 -25.905 1.00 0.00 H new ATOM 0 HA THR A 95 -3.664 11.179 -26.876 1.00 0.00 H new ATOM 0 HB THR A 95 -3.001 10.422 -24.005 1.00 0.00 H new ATOM 0 HG1 THR A 95 -2.420 8.665 -25.257 1.00 0.00 H new ATOM 0 HG21 THR A 95 -5.381 9.782 -23.896 1.00 0.00 H new ATOM 0 HG22 THR A 95 -5.181 11.509 -24.279 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.607 10.356 -25.566 1.00 0.00 H new ATOM 1487 N ALA A 96 -2.231 12.975 -24.485 1.00 0.00 N ATOM 1488 CA ALA A 96 -2.199 14.295 -23.869 1.00 0.00 C ATOM 1489 C ALA A 96 -1.872 15.373 -24.897 1.00 0.00 C ATOM 1490 O ALA A 96 -2.345 16.504 -24.795 1.00 0.00 O ATOM 1491 CB ALA A 96 -1.188 14.323 -22.732 1.00 0.00 C ATOM 0 H ALA A 96 -1.524 12.329 -24.134 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.189 14.504 -23.465 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -1.175 15.315 -22.281 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -1.467 13.586 -21.979 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -0.197 14.088 -23.120 1.00 0.00 H new ATOM 1497 N GLU A 97 -1.060 15.014 -25.886 1.00 0.00 N ATOM 1498 CA GLU A 97 -0.669 15.952 -26.932 1.00 0.00 C ATOM 1499 C GLU A 97 -1.830 16.219 -27.886 1.00 0.00 C ATOM 1500 O GLU A 97 -1.980 17.324 -28.406 1.00 0.00 O ATOM 1501 CB GLU A 97 0.531 15.411 -27.711 1.00 0.00 C ATOM 1502 CG GLU A 97 0.840 16.195 -28.975 1.00 0.00 C ATOM 1503 CD GLU A 97 2.321 16.480 -29.138 1.00 0.00 C ATOM 1504 OE1 GLU A 97 2.958 16.892 -28.146 1.00 0.00 O ATOM 1505 OE2 GLU A 97 2.841 16.292 -30.257 1.00 0.00 O ATOM 0 H GLU A 97 -0.660 14.081 -25.985 1.00 0.00 H new ATOM 0 HA GLU A 97 -0.390 16.892 -26.455 1.00 0.00 H new ATOM 0 HB2 GLU A 97 1.408 15.421 -27.064 1.00 0.00 H new ATOM 0 HB3 GLU A 97 0.342 14.371 -27.976 1.00 0.00 H new ATOM 0 HG2 GLU A 97 0.484 15.636 -29.841 1.00 0.00 H new ATOM 0 HG3 GLU A 97 0.292 17.137 -28.957 1.00 0.00 H new ATOM 1512 N LYS A 98 -2.649 15.197 -28.111 1.00 0.00 N ATOM 1513 CA LYS A 98 -3.798 15.319 -29.001 1.00 0.00 C ATOM 1514 C LYS A 98 -4.746 16.411 -28.519 1.00 0.00 C ATOM 1515 O LYS A 98 -5.426 17.055 -29.319 1.00 0.00 O ATOM 1516 CB LYS A 98 -4.543 13.985 -29.091 1.00 0.00 C ATOM 1517 CG LYS A 98 -3.771 12.906 -29.830 1.00 0.00 C ATOM 1518 CD LYS A 98 -4.236 12.777 -31.272 1.00 0.00 C ATOM 1519 CE LYS A 98 -3.889 11.413 -31.849 1.00 0.00 C ATOM 1520 NZ LYS A 98 -3.594 11.486 -33.307 1.00 0.00 N ATOM 0 H LYS A 98 -2.538 14.275 -27.689 1.00 0.00 H new ATOM 0 HA LYS A 98 -3.432 15.591 -29.991 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -4.767 13.635 -28.083 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -5.498 14.145 -29.592 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -2.707 13.140 -29.809 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -3.898 11.952 -29.319 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -5.314 12.932 -31.323 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.773 13.557 -31.876 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -3.025 11.006 -31.324 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -4.718 10.726 -31.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -3.362 10.536 -33.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -4.427 11.851 -33.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -2.787 12.122 -33.466 1.00 0.00 H new ATOM 1534 N PHE A 99 -4.786 16.617 -27.207 1.00 0.00 N ATOM 1535 CA PHE A 99 -5.651 17.633 -26.618 1.00 0.00 C ATOM 1536 C PHE A 99 -5.352 19.009 -27.206 1.00 0.00 C ATOM 1537 O PHE A 99 -6.200 19.902 -27.191 1.00 0.00 O ATOM 1538 CB PHE A 99 -5.475 17.666 -25.099 1.00 0.00 C ATOM 1539 CG PHE A 99 -6.370 16.704 -24.371 1.00 0.00 C ATOM 1540 CD1 PHE A 99 -5.985 15.386 -24.183 1.00 0.00 C ATOM 1541 CD2 PHE A 99 -7.596 17.117 -23.875 1.00 0.00 C ATOM 1542 CE1 PHE A 99 -6.806 14.498 -23.513 1.00 0.00 C ATOM 1543 CE2 PHE A 99 -8.421 16.234 -23.204 1.00 0.00 C ATOM 1544 CZ PHE A 99 -8.026 14.922 -23.024 1.00 0.00 C ATOM 0 H PHE A 99 -4.229 16.094 -26.531 1.00 0.00 H new ATOM 0 HA PHE A 99 -6.684 17.374 -26.851 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -4.437 17.439 -24.856 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -5.672 18.676 -24.740 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -5.033 15.049 -24.564 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -7.911 18.141 -24.014 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -6.494 13.474 -23.372 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -9.373 16.569 -22.821 1.00 0.00 H new ATOM 0 HZ PHE A 99 -8.670 14.230 -22.502 1.00 0.00 H new ATOM 1554 N LYS A 100 -4.139 19.174 -27.722 1.00 0.00 N ATOM 1555 CA LYS A 100 -3.725 20.440 -28.316 1.00 0.00 C ATOM 1556 C LYS A 100 -4.760 20.934 -29.321 1.00 0.00 C ATOM 1557 O LYS A 100 -4.943 22.137 -29.498 1.00 0.00 O ATOM 1558 CB LYS A 100 -2.366 20.285 -29.002 1.00 0.00 C ATOM 1559 CG LYS A 100 -1.676 21.607 -29.291 1.00 0.00 C ATOM 1560 CD LYS A 100 -0.237 21.400 -29.733 1.00 0.00 C ATOM 1561 CE LYS A 100 0.576 22.679 -29.601 1.00 0.00 C ATOM 1562 NZ LYS A 100 1.886 22.578 -30.302 1.00 0.00 N ATOM 0 H LYS A 100 -3.425 18.446 -27.741 1.00 0.00 H new ATOM 0 HA LYS A 100 -3.640 21.177 -27.517 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -1.718 19.677 -28.372 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -2.501 19.743 -29.938 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -2.223 22.142 -30.068 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -1.697 22.232 -28.398 1.00 0.00 H new ATOM 0 HD2 LYS A 100 0.220 20.614 -29.132 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -0.219 21.061 -30.769 1.00 0.00 H new ATOM 0 HE2 LYS A 100 0.008 23.514 -30.011 1.00 0.00 H new ATOM 0 HE3 LYS A 100 0.744 22.895 -28.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 2.410 23.469 -30.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 2.439 21.797 -29.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 1.725 22.397 -31.313 1.00 0.00 H new ATOM 1576 N ASN A 101 -5.437 19.996 -29.977 1.00 0.00 N ATOM 1577 CA ASN A 101 -6.455 20.336 -30.964 1.00 0.00 C ATOM 1578 C ASN A 101 -7.469 21.316 -30.382 1.00 0.00 C ATOM 1579 O ASN A 101 -7.975 22.193 -31.084 1.00 0.00 O ATOM 1580 CB ASN A 101 -7.169 19.073 -31.447 1.00 0.00 C ATOM 1581 CG ASN A 101 -6.327 18.269 -32.419 1.00 0.00 C ATOM 1582 OD1 ASN A 101 -5.638 18.829 -33.272 1.00 0.00 O ATOM 1583 ND2 ASN A 101 -6.379 16.948 -32.294 1.00 0.00 N ATOM 0 H ASN A 101 -5.298 18.994 -29.842 1.00 0.00 H new ATOM 0 HA ASN A 101 -5.961 20.811 -31.811 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -7.422 18.451 -30.588 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -8.108 19.350 -31.927 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -5.834 16.355 -32.920 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -6.964 16.527 -31.572 1.00 0.00 H new ATOM 1590 N LYS A 102 -7.763 21.162 -29.096 1.00 0.00 N ATOM 1591 CA LYS A 102 -8.715 22.034 -28.418 1.00 0.00 C ATOM 1592 C LYS A 102 -8.102 22.633 -27.156 1.00 0.00 C ATOM 1593 O LYS A 102 -8.812 22.987 -26.216 1.00 0.00 O ATOM 1594 CB LYS A 102 -9.984 21.257 -28.061 1.00 0.00 C ATOM 1595 CG LYS A 102 -11.207 22.139 -27.882 1.00 0.00 C ATOM 1596 CD LYS A 102 -11.924 22.373 -29.201 1.00 0.00 C ATOM 1597 CE LYS A 102 -13.364 22.811 -28.983 1.00 0.00 C ATOM 1598 NZ LYS A 102 -14.206 21.704 -28.450 1.00 0.00 N ATOM 0 H LYS A 102 -7.355 20.441 -28.501 1.00 0.00 H new ATOM 0 HA LYS A 102 -8.972 22.847 -29.097 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -10.185 20.526 -28.844 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -9.811 20.699 -27.141 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -11.891 21.674 -27.172 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -10.907 23.096 -27.455 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -11.394 23.134 -29.774 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -11.907 21.458 -29.793 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -13.387 23.651 -28.289 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -13.783 23.164 -29.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -15.210 21.921 -28.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -13.960 20.817 -28.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -14.037 21.600 -27.429 1.00 0.00 H new ATOM 1612 N GLY A 103 -6.777 22.746 -27.143 1.00 0.00 N ATOM 1613 CA GLY A 103 -6.091 23.304 -25.993 1.00 0.00 C ATOM 1614 C GLY A 103 -4.631 23.599 -26.275 1.00 0.00 C ATOM 1615 O GLY A 103 -3.753 22.807 -25.933 1.00 0.00 O ATOM 0 H GLY A 103 -6.167 22.461 -27.909 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -6.591 24.222 -25.686 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -6.163 22.607 -25.158 1.00 0.00 H new ATOM 1619 N PHE A 104 -4.371 24.742 -26.902 1.00 0.00 N ATOM 1620 CA PHE A 104 -3.007 25.138 -27.233 1.00 0.00 C ATOM 1621 C PHE A 104 -2.104 25.058 -26.005 1.00 0.00 C ATOM 1622 O PHE A 104 -0.904 24.808 -26.118 1.00 0.00 O ATOM 1623 CB PHE A 104 -2.990 26.559 -27.801 1.00 0.00 C ATOM 1624 CG PHE A 104 -3.832 26.722 -29.034 1.00 0.00 C ATOM 1625 CD1 PHE A 104 -3.412 26.206 -30.249 1.00 0.00 C ATOM 1626 CD2 PHE A 104 -5.043 27.392 -28.978 1.00 0.00 C ATOM 1627 CE1 PHE A 104 -4.184 26.354 -31.385 1.00 0.00 C ATOM 1628 CE2 PHE A 104 -5.820 27.542 -30.111 1.00 0.00 C ATOM 1629 CZ PHE A 104 -5.390 27.024 -31.316 1.00 0.00 C ATOM 0 H PHE A 104 -5.086 25.409 -27.191 1.00 0.00 H new ATOM 0 HA PHE A 104 -2.627 24.448 -27.987 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -3.342 27.252 -27.036 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -1.962 26.836 -28.034 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -2.470 25.682 -30.309 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -5.384 27.802 -28.039 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -3.845 25.946 -32.326 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -6.763 28.064 -30.054 1.00 0.00 H new ATOM 0 HZ PHE A 104 -5.995 27.142 -32.203 1.00 0.00 H new ATOM 1639 N LYS A 105 -2.690 25.273 -24.832 1.00 0.00 N ATOM 1640 CA LYS A 105 -1.941 25.225 -23.582 1.00 0.00 C ATOM 1641 C LYS A 105 -1.922 23.809 -23.014 1.00 0.00 C ATOM 1642 O LYS A 105 -2.556 23.529 -21.996 1.00 0.00 O ATOM 1643 CB LYS A 105 -2.552 26.187 -22.561 1.00 0.00 C ATOM 1644 CG LYS A 105 -4.044 25.993 -22.358 1.00 0.00 C ATOM 1645 CD LYS A 105 -4.850 27.049 -23.095 1.00 0.00 C ATOM 1646 CE LYS A 105 -4.649 28.429 -22.487 1.00 0.00 C ATOM 1647 NZ LYS A 105 -5.873 28.911 -21.790 1.00 0.00 N ATOM 0 H LYS A 105 -3.682 25.482 -24.721 1.00 0.00 H new ATOM 0 HA LYS A 105 -0.915 25.529 -23.790 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -2.044 26.059 -21.605 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -2.368 27.211 -22.885 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -4.334 25.003 -22.709 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -4.276 26.035 -21.294 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -4.556 27.066 -24.144 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -5.908 26.788 -23.065 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -3.818 28.398 -21.782 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -4.376 29.135 -23.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -6.255 29.738 -22.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -6.586 28.154 -21.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -5.634 29.178 -20.814 1.00 0.00 H new ATOM 1661 N VAL A 106 -1.189 22.920 -23.677 1.00 0.00 N ATOM 1662 CA VAL A 106 -1.085 21.534 -23.236 1.00 0.00 C ATOM 1663 C VAL A 106 0.353 21.179 -22.876 1.00 0.00 C ATOM 1664 O VAL A 106 1.269 21.377 -23.673 1.00 0.00 O ATOM 1665 CB VAL A 106 -1.587 20.562 -24.319 1.00 0.00 C ATOM 1666 CG1 VAL A 106 -0.789 20.733 -25.603 1.00 0.00 C ATOM 1667 CG2 VAL A 106 -1.512 19.126 -23.822 1.00 0.00 C ATOM 0 H VAL A 106 -0.659 23.135 -24.521 1.00 0.00 H new ATOM 0 HA VAL A 106 -1.713 21.435 -22.351 1.00 0.00 H new ATOM 0 HB VAL A 106 -2.630 20.794 -24.535 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -1.159 20.037 -26.356 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -0.900 21.755 -25.967 1.00 0.00 H new ATOM 0 HG13 VAL A 106 0.264 20.530 -25.407 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -1.871 18.452 -24.600 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -0.479 18.879 -23.576 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -2.132 19.016 -22.933 1.00 0.00 H new ATOM 1677 N GLU A 107 0.543 20.651 -21.671 1.00 0.00 N ATOM 1678 CA GLU A 107 1.871 20.268 -21.206 1.00 0.00 C ATOM 1679 C GLU A 107 1.835 18.906 -20.520 1.00 0.00 C ATOM 1680 O GLU A 107 0.817 18.511 -19.948 1.00 0.00 O ATOM 1681 CB GLU A 107 2.422 21.322 -20.242 1.00 0.00 C ATOM 1682 CG GLU A 107 2.931 22.574 -20.937 1.00 0.00 C ATOM 1683 CD GLU A 107 3.715 23.479 -20.006 1.00 0.00 C ATOM 1684 OE1 GLU A 107 3.082 24.213 -19.219 1.00 0.00 O ATOM 1685 OE2 GLU A 107 4.962 23.452 -20.065 1.00 0.00 O ATOM 0 H GLU A 107 -0.205 20.479 -21.000 1.00 0.00 H new ATOM 0 HA GLU A 107 2.527 20.202 -22.074 1.00 0.00 H new ATOM 0 HB2 GLU A 107 1.640 21.601 -19.536 1.00 0.00 H new ATOM 0 HB3 GLU A 107 3.234 20.883 -19.662 1.00 0.00 H new ATOM 0 HG2 GLU A 107 3.564 22.287 -21.777 1.00 0.00 H new ATOM 0 HG3 GLU A 107 2.086 23.126 -21.348 1.00 0.00 H new ATOM 1692 N THR A 108 2.953 18.189 -20.581 1.00 0.00 N ATOM 1693 CA THR A 108 3.050 16.870 -19.968 1.00 0.00 C ATOM 1694 C THR A 108 4.388 16.689 -19.261 1.00 0.00 C ATOM 1695 O THR A 108 5.393 17.283 -19.653 1.00 0.00 O ATOM 1696 CB THR A 108 2.879 15.751 -21.013 1.00 0.00 C ATOM 1697 OG1 THR A 108 4.059 15.646 -21.816 1.00 0.00 O ATOM 1698 CG2 THR A 108 1.676 16.022 -21.904 1.00 0.00 C ATOM 0 H THR A 108 3.804 18.500 -21.049 1.00 0.00 H new ATOM 0 HA THR A 108 2.244 16.801 -19.237 1.00 0.00 H new ATOM 0 HB THR A 108 2.715 14.812 -20.484 1.00 0.00 H new ATOM 0 HG1 THR A 108 3.943 14.931 -22.476 1.00 0.00 H new ATOM 0 HG21 THR A 108 1.575 15.219 -22.634 1.00 0.00 H new ATOM 0 HG22 THR A 108 0.775 16.072 -21.293 1.00 0.00 H new ATOM 0 HG23 THR A 108 1.815 16.970 -22.424 1.00 0.00 H new ATOM 1706 N ASP A 109 4.395 15.866 -18.219 1.00 0.00 N ATOM 1707 CA ASP A 109 5.611 15.606 -17.458 1.00 0.00 C ATOM 1708 C ASP A 109 6.220 14.263 -17.850 1.00 0.00 C ATOM 1709 O ASP A 109 5.750 13.209 -17.423 1.00 0.00 O ATOM 1710 CB ASP A 109 5.314 15.627 -15.958 1.00 0.00 C ATOM 1711 CG ASP A 109 6.551 15.907 -15.127 1.00 0.00 C ATOM 1712 OD1 ASP A 109 7.620 15.347 -15.446 1.00 0.00 O ATOM 1713 OD2 ASP A 109 6.450 16.689 -14.158 1.00 0.00 O ATOM 0 H ASP A 109 3.572 15.367 -17.882 1.00 0.00 H new ATOM 0 HA ASP A 109 6.330 16.392 -17.689 1.00 0.00 H new ATOM 0 HB2 ASP A 109 4.561 16.387 -15.750 1.00 0.00 H new ATOM 0 HB3 ASP A 109 4.890 14.668 -15.661 1.00 0.00 H new ATOM 1718 N MET A 110 7.268 14.309 -18.666 1.00 0.00 N ATOM 1719 CA MET A 110 7.941 13.096 -19.115 1.00 0.00 C ATOM 1720 C MET A 110 8.483 12.304 -17.929 1.00 0.00 C ATOM 1721 O MET A 110 9.695 12.179 -17.754 1.00 0.00 O ATOM 1722 CB MET A 110 9.082 13.445 -20.073 1.00 0.00 C ATOM 1723 CG MET A 110 8.634 14.250 -21.282 1.00 0.00 C ATOM 1724 SD MET A 110 9.952 14.476 -22.492 1.00 0.00 S ATOM 1725 CE MET A 110 9.011 14.512 -24.016 1.00 0.00 C ATOM 0 H MET A 110 7.669 15.173 -19.030 1.00 0.00 H new ATOM 0 HA MET A 110 7.211 12.479 -19.639 1.00 0.00 H new ATOM 0 HB2 MET A 110 9.841 14.010 -19.531 1.00 0.00 H new ATOM 0 HB3 MET A 110 9.554 12.524 -20.414 1.00 0.00 H new ATOM 0 HG2 MET A 110 7.792 13.747 -21.757 1.00 0.00 H new ATOM 0 HG3 MET A 110 8.277 15.226 -20.952 1.00 0.00 H new ATOM 0 HE1 MET A 110 9.689 14.646 -24.859 1.00 0.00 H new ATOM 0 HE2 MET A 110 8.470 13.573 -24.132 1.00 0.00 H new ATOM 0 HE3 MET A 110 8.301 15.339 -23.986 1.00 0.00 H new TER 1735 MET A 110