USER MOD reduce.3.24.130724 H: found=0, std=0, add=923, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 918 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 93 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 94 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 97 THR OG1 : rot 180:sc= 0.295 USER MOD Set 2.1: A 88 HIS : no HD1:sc= -0.233 K(o=-1.3,f=-2.6!) USER MOD Set 2.2: A 91 GLN : amide:sc= -1.1 K(o=-1.3,f=-2.6) USER MOD Set 3.1: A 82 HIS : no HD1:sc= -0.969 K(o=0.26,f=-0.9!) USER MOD Set 3.2: A 83 LYS NZ :NH3+ 164:sc= 1.22 (180deg=1.18) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 171:sc= 0.157 (180deg=-0.191) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.0019) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.133 USER MOD Single : A 13 GLN : amide:sc=-0.000645 X(o=-0.00064,f=0) USER MOD Single : A 17 ASN : amide:sc= -0.455 X(o=-0.45,f=-0.8) USER MOD Single : A 19 SER OG : rot -147:sc= 0.738 USER MOD Single : A 22 ASN : amide:sc= 0.153 X(o=0.15,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 CYS SG : rot 174:sc= -0.43 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0.986 K(o=0.99,f=-3.6!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0944 USER MOD Single : A 31 LYS NZ :NH3+ 154:sc= 1.11 (180deg=1) USER MOD Single : A 37 ASN : amide:sc= 0.996 K(o=1,f=-5.4!) USER MOD Single : A 38 GLN : amide:sc= -0.28 X(o=-0.28,f=-0.037) USER MOD Single : A 39 MET CE :methyl 144:sc= -1.18 (180deg=-5.75!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.011 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 19:sc= 0.349 USER MOD Single : A 53 THR OG1 : rot 80:sc= 0.0414 USER MOD Single : A 59 ASN : amide:sc= 1.28 K(o=1.3,f=-0.036) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HE2:sc= -2.18 K(o=-2.2,f=-6.6!) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN :FLIP amide:sc= -0.126 F(o=-2.7,f=-0.13) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 ASN : amide:sc= 0.96 K(o=0.96,f=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 CYS SG : rot -130:sc= -0.716 USER MOD Single : A 107 CYS SG : rot -50:sc= -1.71! USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 44:sc= 0.308 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot -4:sc= 1.07 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.612 -18.088 2.864 1.00 0.00 N ATOM 2 CA MET A 1 -9.857 -19.079 2.091 1.00 0.00 C ATOM 3 C MET A 1 -10.803 -19.750 1.093 1.00 0.00 C ATOM 4 O MET A 1 -10.537 -19.645 -0.101 1.00 0.00 O ATOM 5 CB MET A 1 -9.080 -20.021 3.025 1.00 0.00 C ATOM 6 CG MET A 1 -7.827 -20.625 2.398 1.00 0.00 C ATOM 7 SD MET A 1 -8.069 -22.126 1.431 1.00 0.00 S ATOM 8 CE MET A 1 -6.358 -22.411 0.906 1.00 0.00 C ATOM 0 H1 MET A 1 -10.023 -17.735 3.645 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.879 -17.296 2.246 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.470 -18.530 3.251 1.00 0.00 H new ATOM 0 HA MET A 1 -9.076 -18.612 1.491 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.796 -19.472 3.923 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.741 -20.828 3.341 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.368 -19.873 1.756 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.115 -20.841 3.194 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.311 -23.309 0.290 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.008 -21.556 0.328 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.725 -22.540 1.784 1.00 0.00 H new ATOM 18 N TYR A 2 -11.930 -20.342 1.529 1.00 0.00 N ATOM 19 CA TYR A 2 -13.059 -20.724 0.652 1.00 0.00 C ATOM 20 C TYR A 2 -13.912 -19.533 0.159 1.00 0.00 C ATOM 21 O TYR A 2 -13.568 -18.852 -0.803 1.00 0.00 O ATOM 22 CB TYR A 2 -13.849 -21.995 1.061 1.00 0.00 C ATOM 23 CG TYR A 2 -14.897 -21.850 2.136 1.00 0.00 C ATOM 24 CD1 TYR A 2 -14.651 -20.925 3.139 1.00 0.00 C ATOM 25 CD2 TYR A 2 -16.133 -22.505 2.075 1.00 0.00 C ATOM 26 CE1 TYR A 2 -15.585 -20.660 4.153 1.00 0.00 C ATOM 27 CE2 TYR A 2 -17.097 -22.263 3.076 1.00 0.00 C ATOM 28 CZ TYR A 2 -16.814 -21.363 4.136 1.00 0.00 C ATOM 29 OH TYR A 2 -17.729 -21.149 5.120 1.00 0.00 O ATOM 0 H TYR A 2 -12.087 -20.572 2.510 1.00 0.00 H new ATOM 0 HA TYR A 2 -12.558 -21.076 -0.250 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -14.335 -22.390 0.169 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -13.131 -22.745 1.391 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -13.712 -20.392 3.140 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -16.347 -23.190 1.268 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -15.371 -19.938 4.927 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -18.053 -22.764 3.036 1.00 0.00 H new ATOM 0 HH TYR A 2 -18.518 -21.708 4.961 1.00 0.00 H new ATOM 39 N THR A 3 -15.004 -19.240 0.854 1.00 0.00 N ATOM 40 CA THR A 3 -16.051 -18.268 0.589 1.00 0.00 C ATOM 41 C THR A 3 -16.130 -17.285 1.772 1.00 0.00 C ATOM 42 O THR A 3 -17.073 -16.509 1.895 1.00 0.00 O ATOM 43 CB THR A 3 -17.319 -19.104 0.319 1.00 0.00 C ATOM 44 OG1 THR A 3 -17.079 -19.879 -0.842 1.00 0.00 O ATOM 45 CG2 THR A 3 -18.616 -18.341 0.086 1.00 0.00 C ATOM 0 H THR A 3 -15.197 -19.741 1.721 1.00 0.00 H new ATOM 0 HA THR A 3 -15.880 -17.628 -0.277 1.00 0.00 H new ATOM 0 HB THR A 3 -17.479 -19.673 1.235 1.00 0.00 H new ATOM 0 HG1 THR A 3 -17.868 -20.425 -1.040 1.00 0.00 H new ATOM 0 HG21 THR A 3 -19.427 -19.047 -0.091 1.00 0.00 H new ATOM 0 HG22 THR A 3 -18.846 -17.738 0.964 1.00 0.00 H new ATOM 0 HG23 THR A 3 -18.505 -17.691 -0.782 1.00 0.00 H new ATOM 53 N GLU A 4 -15.102 -17.278 2.628 1.00 0.00 N ATOM 54 CA GLU A 4 -14.834 -16.233 3.605 1.00 0.00 C ATOM 55 C GLU A 4 -14.867 -14.892 2.850 1.00 0.00 C ATOM 56 O GLU A 4 -14.113 -14.720 1.880 1.00 0.00 O ATOM 57 CB GLU A 4 -13.464 -16.543 4.244 1.00 0.00 C ATOM 58 CG GLU A 4 -12.949 -15.579 5.326 1.00 0.00 C ATOM 59 CD GLU A 4 -11.411 -15.576 5.455 1.00 0.00 C ATOM 60 OE1 GLU A 4 -10.741 -16.557 5.056 1.00 0.00 O ATOM 61 OE2 GLU A 4 -10.817 -14.562 5.887 1.00 0.00 O ATOM 0 H GLU A 4 -14.413 -18.030 2.655 1.00 0.00 H new ATOM 0 HA GLU A 4 -15.568 -16.182 4.409 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -13.514 -17.541 4.680 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -12.722 -16.580 3.446 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -13.290 -14.570 5.096 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -13.387 -15.853 6.286 1.00 0.00 H new ATOM 68 N GLN A 5 -15.777 -13.987 3.226 1.00 0.00 N ATOM 69 CA GLN A 5 -15.730 -12.587 2.813 1.00 0.00 C ATOM 70 C GLN A 5 -14.473 -11.956 3.405 1.00 0.00 C ATOM 71 O GLN A 5 -14.038 -12.383 4.478 1.00 0.00 O ATOM 72 CB GLN A 5 -16.963 -11.821 3.313 1.00 0.00 C ATOM 73 CG GLN A 5 -18.200 -12.114 2.466 1.00 0.00 C ATOM 74 CD GLN A 5 -19.303 -11.088 2.704 1.00 0.00 C ATOM 75 OE1 GLN A 5 -19.136 -9.904 2.413 1.00 0.00 O ATOM 76 NE2 GLN A 5 -20.461 -11.510 3.182 1.00 0.00 N ATOM 0 H GLN A 5 -16.569 -14.210 3.828 1.00 0.00 H new ATOM 0 HA GLN A 5 -15.717 -12.537 1.724 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -17.162 -12.091 4.350 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -16.757 -10.751 3.296 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -17.926 -12.116 1.411 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -18.574 -13.111 2.700 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -20.587 -12.494 3.419 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -21.229 -10.852 3.313 1.00 0.00 H new ATOM 85 N PRO A 6 -13.890 -10.935 2.764 1.00 0.00 N ATOM 86 CA PRO A 6 -12.659 -10.363 3.261 1.00 0.00 C ATOM 87 C PRO A 6 -12.894 -9.641 4.572 1.00 0.00 C ATOM 88 O PRO A 6 -14.029 -9.322 4.936 1.00 0.00 O ATOM 89 CB PRO A 6 -12.159 -9.471 2.128 1.00 0.00 C ATOM 90 CG PRO A 6 -13.454 -8.971 1.501 1.00 0.00 C ATOM 91 CD PRO A 6 -14.366 -10.197 1.599 1.00 0.00 C ATOM 0 HA PRO A 6 -11.901 -11.106 3.508 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -11.545 -8.650 2.499 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -11.551 -10.026 1.414 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -13.863 -8.117 2.041 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -13.309 -8.655 0.468 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -15.409 -9.904 1.718 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -14.307 -10.805 0.696 1.00 0.00 H new ATOM 99 N ILE A 7 -11.811 -9.400 5.302 1.00 0.00 N ATOM 100 CA ILE A 7 -11.890 -8.718 6.569 1.00 0.00 C ATOM 101 C ILE A 7 -12.198 -7.266 6.228 1.00 0.00 C ATOM 102 O ILE A 7 -11.277 -6.533 5.895 1.00 0.00 O ATOM 103 CB ILE A 7 -10.615 -8.909 7.418 1.00 0.00 C ATOM 104 CG1 ILE A 7 -10.234 -10.376 7.731 1.00 0.00 C ATOM 105 CG2 ILE A 7 -10.816 -8.183 8.757 1.00 0.00 C ATOM 106 CD1 ILE A 7 -9.672 -11.195 6.561 1.00 0.00 C ATOM 0 H ILE A 7 -10.867 -9.672 5.028 1.00 0.00 H new ATOM 0 HA ILE A 7 -12.672 -9.129 7.207 1.00 0.00 H new ATOM 0 HB ILE A 7 -9.800 -8.506 6.817 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -9.496 -10.375 8.534 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -11.119 -10.886 8.112 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -9.926 -8.305 9.374 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -10.988 -7.122 8.574 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -11.677 -8.606 9.275 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -9.442 -12.205 6.901 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -10.411 -11.241 5.761 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -8.763 -10.722 6.189 1.00 0.00 H new ATOM 118 N ASP A 8 -13.478 -6.893 6.269 1.00 0.00 N ATOM 119 CA ASP A 8 -14.064 -5.557 6.087 1.00 0.00 C ATOM 120 C ASP A 8 -13.492 -4.747 4.913 1.00 0.00 C ATOM 121 O ASP A 8 -13.498 -3.515 4.932 1.00 0.00 O ATOM 122 CB ASP A 8 -14.006 -4.780 7.420 1.00 0.00 C ATOM 123 CG ASP A 8 -15.188 -3.843 7.678 1.00 0.00 C ATOM 124 OD1 ASP A 8 -16.185 -3.839 6.924 1.00 0.00 O ATOM 125 OD2 ASP A 8 -15.169 -3.172 8.739 1.00 0.00 O ATOM 0 H ASP A 8 -14.205 -7.585 6.448 1.00 0.00 H new ATOM 0 HA ASP A 8 -15.104 -5.713 5.800 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -13.946 -5.497 8.238 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -13.087 -4.194 7.441 1.00 0.00 H new ATOM 130 N LEU A 9 -12.926 -5.433 3.916 1.00 0.00 N ATOM 131 CA LEU A 9 -12.205 -4.832 2.812 1.00 0.00 C ATOM 132 C LEU A 9 -13.215 -4.316 1.797 1.00 0.00 C ATOM 133 O LEU A 9 -14.201 -4.988 1.474 1.00 0.00 O ATOM 134 CB LEU A 9 -11.284 -5.888 2.191 1.00 0.00 C ATOM 135 CG LEU A 9 -9.934 -5.355 1.684 1.00 0.00 C ATOM 136 CD1 LEU A 9 -9.199 -6.513 1.032 1.00 0.00 C ATOM 137 CD2 LEU A 9 -10.028 -4.277 0.609 1.00 0.00 C ATOM 0 H LEU A 9 -12.963 -6.451 3.862 1.00 0.00 H new ATOM 0 HA LEU A 9 -11.593 -3.996 3.151 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -11.096 -6.665 2.932 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -11.807 -6.360 1.359 1.00 0.00 H new ATOM 0 HG LEU A 9 -9.441 -4.920 2.554 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.234 -6.168 0.660 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.044 -7.304 1.765 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -9.791 -6.899 0.202 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -9.025 -3.966 0.317 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -10.552 -4.675 -0.260 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -10.574 -3.419 1.001 1.00 0.00 H new ATOM 149 N VAL A 10 -12.930 -3.143 1.252 1.00 0.00 N ATOM 150 CA VAL A 10 -13.813 -2.414 0.355 1.00 0.00 C ATOM 151 C VAL A 10 -12.965 -1.687 -0.695 1.00 0.00 C ATOM 152 O VAL A 10 -11.966 -1.052 -0.342 1.00 0.00 O ATOM 153 CB VAL A 10 -14.730 -1.441 1.125 1.00 0.00 C ATOM 154 CG1 VAL A 10 -16.058 -2.112 1.484 1.00 0.00 C ATOM 155 CG2 VAL A 10 -14.117 -0.888 2.418 1.00 0.00 C ATOM 0 H VAL A 10 -12.050 -2.657 1.427 1.00 0.00 H new ATOM 0 HA VAL A 10 -14.474 -3.119 -0.148 1.00 0.00 H new ATOM 0 HB VAL A 10 -14.879 -0.605 0.442 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -16.687 -1.406 2.026 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -16.566 -2.425 0.572 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -15.868 -2.984 2.110 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -14.826 -0.213 2.897 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -13.887 -1.712 3.093 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -13.201 -0.345 2.183 1.00 0.00 H new ATOM 165 N PRO A 11 -13.301 -1.793 -1.991 1.00 0.00 N ATOM 166 CA PRO A 11 -12.631 -1.028 -3.028 1.00 0.00 C ATOM 167 C PRO A 11 -12.971 0.466 -2.912 1.00 0.00 C ATOM 168 O PRO A 11 -14.054 0.842 -2.455 1.00 0.00 O ATOM 169 CB PRO A 11 -13.082 -1.658 -4.347 1.00 0.00 C ATOM 170 CG PRO A 11 -14.305 -2.519 -4.043 1.00 0.00 C ATOM 171 CD PRO A 11 -14.420 -2.553 -2.522 1.00 0.00 C ATOM 0 HA PRO A 11 -11.545 -1.065 -2.947 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -13.327 -0.887 -5.077 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -12.284 -2.263 -4.777 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -15.203 -2.096 -4.494 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -14.187 -3.524 -4.449 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -15.367 -2.121 -2.198 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -14.396 -3.580 -2.157 1.00 0.00 H new ATOM 179 N THR A 12 -12.052 1.327 -3.349 1.00 0.00 N ATOM 180 CA THR A 12 -12.245 2.770 -3.425 1.00 0.00 C ATOM 181 C THR A 12 -11.490 3.287 -4.662 1.00 0.00 C ATOM 182 O THR A 12 -11.246 2.533 -5.612 1.00 0.00 O ATOM 183 CB THR A 12 -11.888 3.435 -2.064 1.00 0.00 C ATOM 184 OG1 THR A 12 -12.355 4.771 -2.059 1.00 0.00 O ATOM 185 CG2 THR A 12 -10.391 3.431 -1.701 1.00 0.00 C ATOM 0 H THR A 12 -11.130 1.030 -3.668 1.00 0.00 H new ATOM 0 HA THR A 12 -13.288 3.047 -3.575 1.00 0.00 H new ATOM 0 HB THR A 12 -12.379 2.823 -1.308 1.00 0.00 H new ATOM 0 HG1 THR A 12 -12.133 5.192 -1.202 1.00 0.00 H new ATOM 0 HG21 THR A 12 -10.249 3.917 -0.736 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.033 2.403 -1.646 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.830 3.970 -2.464 1.00 0.00 H new ATOM 193 N GLN A 13 -11.178 4.581 -4.702 1.00 0.00 N ATOM 194 CA GLN A 13 -10.268 5.188 -5.658 1.00 0.00 C ATOM 195 C GLN A 13 -9.395 6.222 -4.928 1.00 0.00 C ATOM 196 O GLN A 13 -9.707 6.608 -3.798 1.00 0.00 O ATOM 197 CB GLN A 13 -11.051 5.841 -6.806 1.00 0.00 C ATOM 198 CG GLN A 13 -11.006 5.054 -8.121 1.00 0.00 C ATOM 199 CD GLN A 13 -11.636 5.853 -9.257 1.00 0.00 C ATOM 200 OE1 GLN A 13 -12.636 5.453 -9.849 1.00 0.00 O ATOM 201 NE2 GLN A 13 -11.068 6.989 -9.608 1.00 0.00 N ATOM 0 H GLN A 13 -11.569 5.255 -4.044 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.627 4.421 -6.092 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -12.091 5.959 -6.501 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -10.654 6.841 -6.980 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -9.972 4.814 -8.370 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -11.533 4.108 -8.001 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -10.238 7.318 -9.115 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -11.458 7.539 -10.373 1.00 0.00 H new ATOM 210 N PRO A 14 -8.298 6.657 -5.570 1.00 0.00 N ATOM 211 CA PRO A 14 -7.390 7.662 -5.052 1.00 0.00 C ATOM 212 C PRO A 14 -8.025 9.040 -5.071 1.00 0.00 C ATOM 213 O PRO A 14 -9.027 9.290 -5.743 1.00 0.00 O ATOM 214 CB PRO A 14 -6.164 7.597 -5.959 1.00 0.00 C ATOM 215 CG PRO A 14 -6.741 7.179 -7.306 1.00 0.00 C ATOM 216 CD PRO A 14 -7.923 6.293 -6.922 1.00 0.00 C ATOM 0 HA PRO A 14 -7.129 7.476 -4.010 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -5.658 8.561 -6.020 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -5.432 6.876 -5.594 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -7.058 8.041 -7.893 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -6.010 6.637 -7.906 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -8.757 6.442 -7.608 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -7.650 5.239 -6.977 1.00 0.00 H new ATOM 224 N LEU A 15 -7.386 9.944 -4.340 1.00 0.00 N ATOM 225 CA LEU A 15 -7.834 11.311 -4.217 1.00 0.00 C ATOM 226 C LEU A 15 -7.614 12.000 -5.563 1.00 0.00 C ATOM 227 O LEU A 15 -6.610 11.723 -6.235 1.00 0.00 O ATOM 228 CB LEU A 15 -7.020 12.005 -3.125 1.00 0.00 C ATOM 229 CG LEU A 15 -7.343 11.635 -1.659 1.00 0.00 C ATOM 230 CD1 LEU A 15 -8.253 12.703 -1.050 1.00 0.00 C ATOM 231 CD2 LEU A 15 -7.953 10.249 -1.391 1.00 0.00 C ATOM 0 H LEU A 15 -6.536 9.740 -3.814 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.889 11.356 -3.948 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.966 11.792 -3.303 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -7.151 13.081 -3.238 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.361 11.589 -1.188 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -8.480 12.441 -0.017 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -7.749 13.669 -1.077 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.179 12.761 -1.622 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -8.126 10.128 -0.322 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -8.899 10.159 -1.924 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -7.266 9.476 -1.737 1.00 0.00 H new ATOM 243 N PRO A 16 -8.517 12.897 -5.971 1.00 0.00 N ATOM 244 CA PRO A 16 -8.323 13.732 -7.141 1.00 0.00 C ATOM 245 C PRO A 16 -7.323 14.835 -6.784 1.00 0.00 C ATOM 246 O PRO A 16 -7.153 15.140 -5.604 1.00 0.00 O ATOM 247 CB PRO A 16 -9.717 14.283 -7.422 1.00 0.00 C ATOM 248 CG PRO A 16 -10.353 14.420 -6.038 1.00 0.00 C ATOM 249 CD PRO A 16 -9.668 13.343 -5.202 1.00 0.00 C ATOM 0 HA PRO A 16 -7.921 13.216 -8.013 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -9.669 15.243 -7.935 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -10.290 13.609 -8.059 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -10.188 15.413 -5.620 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -11.431 14.267 -6.078 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -9.359 13.740 -4.235 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -10.348 12.514 -5.004 1.00 0.00 H new ATOM 257 N ASN A 17 -6.673 15.452 -7.780 1.00 0.00 N ATOM 258 CA ASN A 17 -5.659 16.521 -7.667 1.00 0.00 C ATOM 259 C ASN A 17 -4.465 16.244 -6.737 1.00 0.00 C ATOM 260 O ASN A 17 -3.510 17.019 -6.743 1.00 0.00 O ATOM 261 CB ASN A 17 -6.287 17.909 -7.419 1.00 0.00 C ATOM 262 CG ASN A 17 -7.133 18.033 -6.157 1.00 0.00 C ATOM 263 OD1 ASN A 17 -6.648 18.314 -5.068 1.00 0.00 O ATOM 264 ND2 ASN A 17 -8.436 17.847 -6.290 1.00 0.00 N ATOM 0 H ASN A 17 -6.850 15.204 -8.753 1.00 0.00 H new ATOM 0 HA ASN A 17 -5.203 16.527 -8.657 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -5.486 18.647 -7.372 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -6.907 18.166 -8.278 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -9.049 17.937 -5.480 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -8.827 17.613 -7.203 1.00 0.00 H new ATOM 271 N ALA A 18 -4.462 15.128 -6.009 1.00 0.00 N ATOM 272 CA ALA A 18 -3.365 14.663 -5.178 1.00 0.00 C ATOM 273 C ALA A 18 -2.106 14.408 -6.004 1.00 0.00 C ATOM 274 O ALA A 18 -2.169 14.121 -7.202 1.00 0.00 O ATOM 275 CB ALA A 18 -3.807 13.422 -4.402 1.00 0.00 C ATOM 0 H ALA A 18 -5.264 14.498 -5.985 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.105 15.442 -4.462 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -2.985 13.071 -3.778 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.660 13.672 -3.772 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -4.091 12.637 -5.103 1.00 0.00 H new ATOM 281 N SER A 19 -0.957 14.461 -5.346 1.00 0.00 N ATOM 282 CA SER A 19 0.360 14.383 -5.947 1.00 0.00 C ATOM 283 C SER A 19 1.297 13.823 -4.879 1.00 0.00 C ATOM 284 O SER A 19 1.071 13.994 -3.673 1.00 0.00 O ATOM 285 CB SER A 19 0.783 15.773 -6.470 1.00 0.00 C ATOM 286 OG SER A 19 0.616 16.803 -5.506 1.00 0.00 O ATOM 0 H SER A 19 -0.919 14.564 -4.332 1.00 0.00 H new ATOM 0 HA SER A 19 0.383 13.725 -6.816 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.828 15.737 -6.778 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.198 16.015 -7.357 1.00 0.00 H new ATOM 0 HG SER A 19 0.386 17.641 -5.959 1.00 0.00 H new ATOM 292 N PHE A 20 2.316 13.080 -5.300 1.00 0.00 N ATOM 293 CA PHE A 20 3.274 12.508 -4.376 1.00 0.00 C ATOM 294 C PHE A 20 3.979 13.637 -3.629 1.00 0.00 C ATOM 295 O PHE A 20 4.187 14.718 -4.183 1.00 0.00 O ATOM 296 CB PHE A 20 4.269 11.597 -5.108 1.00 0.00 C ATOM 297 CG PHE A 20 5.338 11.008 -4.208 1.00 0.00 C ATOM 298 CD1 PHE A 20 4.984 10.306 -3.039 1.00 0.00 C ATOM 299 CD2 PHE A 20 6.693 11.268 -4.478 1.00 0.00 C ATOM 300 CE1 PHE A 20 5.974 9.937 -2.111 1.00 0.00 C ATOM 301 CE2 PHE A 20 7.680 10.893 -3.554 1.00 0.00 C ATOM 302 CZ PHE A 20 7.321 10.244 -2.358 1.00 0.00 C ATOM 0 H PHE A 20 2.495 12.863 -6.280 1.00 0.00 H new ATOM 0 HA PHE A 20 2.754 11.881 -3.652 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.720 10.784 -5.584 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.750 12.166 -5.904 1.00 0.00 H new ATOM 0 HD1 PHE A 20 3.951 10.051 -2.855 1.00 0.00 H new ATOM 0 HD2 PHE A 20 6.975 11.757 -5.399 1.00 0.00 H new ATOM 0 HE1 PHE A 20 5.697 9.416 -1.206 1.00 0.00 H new ATOM 0 HE2 PHE A 20 8.719 11.103 -3.761 1.00 0.00 H new ATOM 0 HZ PHE A 20 8.078 9.983 -1.634 1.00 0.00 H new ATOM 312 N ASP A 21 4.314 13.385 -2.367 1.00 0.00 N ATOM 313 CA ASP A 21 4.750 14.376 -1.391 1.00 0.00 C ATOM 314 C ASP A 21 6.077 13.893 -0.786 1.00 0.00 C ATOM 315 O ASP A 21 6.588 12.867 -1.229 1.00 0.00 O ATOM 316 CB ASP A 21 3.637 14.545 -0.345 1.00 0.00 C ATOM 317 CG ASP A 21 3.729 15.890 0.360 1.00 0.00 C ATOM 318 OD1 ASP A 21 4.490 16.022 1.346 1.00 0.00 O ATOM 319 OD2 ASP A 21 3.074 16.852 -0.089 1.00 0.00 O ATOM 0 H ASP A 21 4.287 12.441 -1.980 1.00 0.00 H new ATOM 0 HA ASP A 21 4.927 15.354 -1.839 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.665 14.454 -0.830 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.703 13.743 0.390 1.00 0.00 H new ATOM 324 N ASN A 22 6.677 14.559 0.203 1.00 0.00 N ATOM 325 CA ASN A 22 7.946 14.096 0.789 1.00 0.00 C ATOM 326 C ASN A 22 7.760 12.899 1.748 1.00 0.00 C ATOM 327 O ASN A 22 8.680 12.606 2.513 1.00 0.00 O ATOM 328 CB ASN A 22 8.711 15.252 1.482 1.00 0.00 C ATOM 329 CG ASN A 22 9.853 15.834 0.660 1.00 0.00 C ATOM 330 OD1 ASN A 22 9.911 17.037 0.423 1.00 0.00 O ATOM 331 ND2 ASN A 22 10.844 15.036 0.310 1.00 0.00 N ATOM 0 H ASN A 22 6.310 15.417 0.616 1.00 0.00 H new ATOM 0 HA ASN A 22 8.553 13.741 -0.044 1.00 0.00 H new ATOM 0 HB2 ASN A 22 8.005 16.049 1.716 1.00 0.00 H new ATOM 0 HB3 ASN A 22 9.110 14.891 2.430 1.00 0.00 H new ATOM 0 HD21 ASN A 22 11.665 15.418 -0.160 1.00 0.00 H new ATOM 0 HD22 ASN A 22 10.789 14.037 0.510 1.00 0.00 H new ATOM 338 N PHE A 23 6.603 12.227 1.803 1.00 0.00 N ATOM 339 CA PHE A 23 6.434 11.104 2.725 1.00 0.00 C ATOM 340 C PHE A 23 7.346 9.948 2.301 1.00 0.00 C ATOM 341 O PHE A 23 7.574 9.717 1.111 1.00 0.00 O ATOM 342 CB PHE A 23 4.959 10.668 2.869 1.00 0.00 C ATOM 343 CG PHE A 23 4.342 9.965 1.673 1.00 0.00 C ATOM 344 CD1 PHE A 23 4.611 8.604 1.422 1.00 0.00 C ATOM 345 CD2 PHE A 23 3.444 10.655 0.842 1.00 0.00 C ATOM 346 CE1 PHE A 23 4.004 7.949 0.337 1.00 0.00 C ATOM 347 CE2 PHE A 23 2.849 10.003 -0.249 1.00 0.00 C ATOM 348 CZ PHE A 23 3.131 8.651 -0.507 1.00 0.00 C ATOM 0 H PHE A 23 5.786 12.438 1.230 1.00 0.00 H new ATOM 0 HA PHE A 23 6.733 11.433 3.720 1.00 0.00 H new ATOM 0 HB2 PHE A 23 4.881 10.006 3.732 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.362 11.552 3.091 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.287 8.062 2.067 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.211 11.690 1.043 1.00 0.00 H new ATOM 0 HE1 PHE A 23 4.210 6.905 0.153 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.171 10.543 -0.893 1.00 0.00 H new ATOM 0 HZ PHE A 23 2.677 8.154 -1.352 1.00 0.00 H new ATOM 358 N LYS A 24 7.830 9.192 3.283 1.00 0.00 N ATOM 359 CA LYS A 24 8.545 7.940 3.098 1.00 0.00 C ATOM 360 C LYS A 24 7.642 6.811 3.561 1.00 0.00 C ATOM 361 O LYS A 24 6.796 6.999 4.437 1.00 0.00 O ATOM 362 CB LYS A 24 9.857 7.997 3.893 1.00 0.00 C ATOM 363 CG LYS A 24 10.635 6.682 3.828 1.00 0.00 C ATOM 364 CD LYS A 24 12.045 6.757 4.412 1.00 0.00 C ATOM 365 CE LYS A 24 12.799 5.590 3.766 1.00 0.00 C ATOM 366 NZ LYS A 24 14.238 5.577 4.096 1.00 0.00 N ATOM 0 H LYS A 24 7.729 9.448 4.265 1.00 0.00 H new ATOM 0 HA LYS A 24 8.800 7.770 2.052 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.479 8.804 3.505 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.638 8.236 4.934 1.00 0.00 H new ATOM 0 HG2 LYS A 24 10.074 5.914 4.361 1.00 0.00 H new ATOM 0 HG3 LYS A 24 10.702 6.364 2.788 1.00 0.00 H new ATOM 0 HD2 LYS A 24 12.519 7.711 4.180 1.00 0.00 H new ATOM 0 HD3 LYS A 24 12.029 6.665 5.498 1.00 0.00 H new ATOM 0 HE2 LYS A 24 12.350 4.651 4.090 1.00 0.00 H new ATOM 0 HE3 LYS A 24 12.681 5.643 2.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 14.694 4.766 3.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 14.678 6.459 3.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 14.357 5.497 5.126 1.00 0.00 H new ATOM 380 N LEU A 25 7.851 5.624 3.005 1.00 0.00 N ATOM 381 CA LEU A 25 7.159 4.407 3.404 1.00 0.00 C ATOM 382 C LEU A 25 8.159 3.535 4.158 1.00 0.00 C ATOM 383 O LEU A 25 9.328 3.474 3.764 1.00 0.00 O ATOM 384 CB LEU A 25 6.587 3.669 2.178 1.00 0.00 C ATOM 385 CG LEU A 25 5.787 4.565 1.205 1.00 0.00 C ATOM 386 CD1 LEU A 25 6.678 5.163 0.104 1.00 0.00 C ATOM 387 CD2 LEU A 25 4.667 3.777 0.529 1.00 0.00 C ATOM 0 H LEU A 25 8.520 5.479 2.249 1.00 0.00 H new ATOM 0 HA LEU A 25 6.311 4.646 4.046 1.00 0.00 H new ATOM 0 HB2 LEU A 25 7.409 3.206 1.632 1.00 0.00 H new ATOM 0 HB3 LEU A 25 5.940 2.863 2.524 1.00 0.00 H new ATOM 0 HG LEU A 25 5.372 5.372 1.809 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.073 5.785 -0.556 1.00 0.00 H new ATOM 0 HD12 LEU A 25 7.460 5.771 0.559 1.00 0.00 H new ATOM 0 HD13 LEU A 25 7.133 4.358 -0.473 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.120 4.431 -0.150 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.094 2.946 -0.033 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.986 3.390 1.287 1.00 0.00 H new ATOM 399 N THR A 26 7.721 2.847 5.208 1.00 0.00 N ATOM 400 CA THR A 26 8.530 1.901 5.968 1.00 0.00 C ATOM 401 C THR A 26 7.721 0.619 6.205 1.00 0.00 C ATOM 402 O THR A 26 6.501 0.607 6.010 1.00 0.00 O ATOM 403 CB THR A 26 9.065 2.550 7.260 1.00 0.00 C ATOM 404 OG1 THR A 26 8.045 2.811 8.199 1.00 0.00 O ATOM 405 CG2 THR A 26 9.803 3.872 7.011 1.00 0.00 C ATOM 0 H THR A 26 6.769 2.935 5.563 1.00 0.00 H new ATOM 0 HA THR A 26 9.416 1.619 5.400 1.00 0.00 H new ATOM 0 HB THR A 26 9.761 1.811 7.656 1.00 0.00 H new ATOM 0 HG1 THR A 26 8.434 3.220 9.000 1.00 0.00 H new ATOM 0 HG21 THR A 26 10.154 4.277 7.960 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.655 3.695 6.354 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.125 4.584 6.541 1.00 0.00 H new ATOM 413 N CYS A 27 8.375 -0.489 6.558 1.00 0.00 N ATOM 414 CA CYS A 27 7.766 -1.790 6.812 1.00 0.00 C ATOM 415 C CYS A 27 8.820 -2.643 7.522 1.00 0.00 C ATOM 416 O CYS A 27 10.012 -2.325 7.486 1.00 0.00 O ATOM 417 CB CYS A 27 7.337 -2.411 5.467 1.00 0.00 C ATOM 418 SG CYS A 27 6.618 -4.075 5.590 1.00 0.00 S ATOM 0 H CYS A 27 9.388 -0.502 6.679 1.00 0.00 H new ATOM 0 HA CYS A 27 6.876 -1.717 7.438 1.00 0.00 H new ATOM 0 HB2 CYS A 27 6.610 -1.751 4.994 1.00 0.00 H new ATOM 0 HB3 CYS A 27 8.205 -2.453 4.809 1.00 0.00 H new ATOM 0 HG CYS A 27 6.175 -4.444 4.425 1.00 0.00 H new ATOM 424 N SER A 28 8.391 -3.751 8.124 1.00 0.00 N ATOM 425 CA SER A 28 9.293 -4.719 8.737 1.00 0.00 C ATOM 426 C SER A 28 10.239 -5.309 7.687 1.00 0.00 C ATOM 427 O SER A 28 11.414 -5.543 7.981 1.00 0.00 O ATOM 428 CB SER A 28 8.469 -5.798 9.429 1.00 0.00 C ATOM 429 OG SER A 28 9.206 -6.546 10.376 1.00 0.00 O ATOM 0 H SER A 28 7.405 -4.001 8.199 1.00 0.00 H new ATOM 0 HA SER A 28 9.914 -4.226 9.485 1.00 0.00 H new ATOM 0 HB2 SER A 28 7.619 -5.332 9.927 1.00 0.00 H new ATOM 0 HB3 SER A 28 8.065 -6.475 8.676 1.00 0.00 H new ATOM 0 HG SER A 28 8.624 -7.219 10.786 1.00 0.00 H new ATOM 435 N ASN A 29 9.769 -5.538 6.455 1.00 0.00 N ATOM 436 CA ASN A 29 10.663 -5.893 5.360 1.00 0.00 C ATOM 437 C ASN A 29 11.238 -4.621 4.750 1.00 0.00 C ATOM 438 O ASN A 29 10.500 -3.812 4.180 1.00 0.00 O ATOM 439 CB ASN A 29 9.957 -6.703 4.277 1.00 0.00 C ATOM 440 CG ASN A 29 10.963 -7.390 3.358 1.00 0.00 C ATOM 441 OD1 ASN A 29 12.145 -7.068 3.326 1.00 0.00 O ATOM 442 ND2 ASN A 29 10.513 -8.358 2.587 1.00 0.00 N ATOM 0 H ASN A 29 8.783 -5.483 6.198 1.00 0.00 H new ATOM 0 HA ASN A 29 11.458 -6.516 5.769 1.00 0.00 H new ATOM 0 HB2 ASN A 29 9.313 -7.451 4.740 1.00 0.00 H new ATOM 0 HB3 ASN A 29 9.313 -6.048 3.691 1.00 0.00 H new ATOM 0 HD21 ASN A 29 11.150 -8.846 1.957 1.00 0.00 H new ATOM 0 HD22 ASN A 29 9.528 -8.620 2.620 1.00 0.00 H new ATOM 449 N THR A 30 12.550 -4.458 4.847 1.00 0.00 N ATOM 450 CA THR A 30 13.297 -3.383 4.218 1.00 0.00 C ATOM 451 C THR A 30 13.073 -3.354 2.705 1.00 0.00 C ATOM 452 O THR A 30 12.713 -2.297 2.186 1.00 0.00 O ATOM 453 CB THR A 30 14.782 -3.522 4.590 1.00 0.00 C ATOM 454 OG1 THR A 30 15.152 -4.890 4.700 1.00 0.00 O ATOM 455 CG2 THR A 30 15.029 -2.851 5.938 1.00 0.00 C ATOM 0 H THR A 30 13.141 -5.093 5.384 1.00 0.00 H new ATOM 0 HA THR A 30 12.936 -2.424 4.589 1.00 0.00 H new ATOM 0 HB THR A 30 15.375 -3.051 3.806 1.00 0.00 H new ATOM 0 HG1 THR A 30 16.101 -4.954 4.936 1.00 0.00 H new ATOM 0 HG21 THR A 30 16.081 -2.948 6.205 1.00 0.00 H new ATOM 0 HG22 THR A 30 14.767 -1.795 5.872 1.00 0.00 H new ATOM 0 HG23 THR A 30 14.416 -3.330 6.701 1.00 0.00 H new ATOM 463 N LYS A 31 13.215 -4.484 1.991 1.00 0.00 N ATOM 464 CA LYS A 31 12.977 -4.528 0.559 1.00 0.00 C ATOM 465 C LYS A 31 11.581 -4.051 0.217 1.00 0.00 C ATOM 466 O LYS A 31 11.439 -3.335 -0.759 1.00 0.00 O ATOM 467 CB LYS A 31 13.193 -5.948 0.026 1.00 0.00 C ATOM 468 CG LYS A 31 12.760 -6.105 -1.443 1.00 0.00 C ATOM 469 CD LYS A 31 13.512 -5.150 -2.375 1.00 0.00 C ATOM 470 CE LYS A 31 13.712 -5.877 -3.692 1.00 0.00 C ATOM 471 NZ LYS A 31 14.070 -4.945 -4.777 1.00 0.00 N ATOM 0 H LYS A 31 13.495 -5.377 2.395 1.00 0.00 H new ATOM 0 HA LYS A 31 13.690 -3.856 0.082 1.00 0.00 H new ATOM 0 HB2 LYS A 31 14.247 -6.210 0.120 1.00 0.00 H new ATOM 0 HB3 LYS A 31 12.634 -6.652 0.642 1.00 0.00 H new ATOM 0 HG2 LYS A 31 12.933 -7.133 -1.763 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.689 -5.921 -1.525 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.945 -4.231 -2.524 1.00 0.00 H new ATOM 0 HD3 LYS A 31 14.471 -4.865 -1.943 1.00 0.00 H new ATOM 0 HE2 LYS A 31 14.497 -6.625 -3.580 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.799 -6.411 -3.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 14.611 -5.452 -5.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 13.204 -4.554 -5.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 14.648 -4.171 -4.393 1.00 0.00 H new ATOM 485 N PHE A 32 10.558 -4.453 0.966 1.00 0.00 N ATOM 486 CA PHE A 32 9.186 -4.080 0.654 1.00 0.00 C ATOM 487 C PHE A 32 9.068 -2.565 0.637 1.00 0.00 C ATOM 488 O PHE A 32 8.705 -1.984 -0.382 1.00 0.00 O ATOM 489 CB PHE A 32 8.269 -4.677 1.707 1.00 0.00 C ATOM 490 CG PHE A 32 6.797 -4.615 1.393 1.00 0.00 C ATOM 491 CD1 PHE A 32 6.264 -5.599 0.550 1.00 0.00 C ATOM 492 CD2 PHE A 32 5.956 -3.632 1.947 1.00 0.00 C ATOM 493 CE1 PHE A 32 4.891 -5.643 0.289 1.00 0.00 C ATOM 494 CE2 PHE A 32 4.575 -3.680 1.690 1.00 0.00 C ATOM 495 CZ PHE A 32 4.037 -4.704 0.891 1.00 0.00 C ATOM 0 H PHE A 32 10.656 -5.039 1.795 1.00 0.00 H new ATOM 0 HA PHE A 32 8.900 -4.460 -0.327 1.00 0.00 H new ATOM 0 HB2 PHE A 32 8.547 -5.720 1.857 1.00 0.00 H new ATOM 0 HB3 PHE A 32 8.444 -4.161 2.651 1.00 0.00 H new ATOM 0 HD1 PHE A 32 6.919 -6.329 0.098 1.00 0.00 H new ATOM 0 HD2 PHE A 32 6.368 -2.848 2.564 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.489 -6.396 -0.373 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.924 -2.927 2.108 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.970 -4.769 0.740 1.00 0.00 H new ATOM 505 N ALA A 33 9.443 -1.938 1.755 1.00 0.00 N ATOM 506 CA ALA A 33 9.456 -0.486 1.858 1.00 0.00 C ATOM 507 C ALA A 33 10.283 0.159 0.741 1.00 0.00 C ATOM 508 O ALA A 33 9.894 1.181 0.187 1.00 0.00 O ATOM 509 CB ALA A 33 10.011 -0.085 3.223 1.00 0.00 C ATOM 0 H ALA A 33 9.742 -2.421 2.602 1.00 0.00 H new ATOM 0 HA ALA A 33 8.433 -0.127 1.750 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.023 1.002 3.306 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.381 -0.502 4.009 1.00 0.00 H new ATOM 0 HB3 ALA A 33 11.026 -0.468 3.330 1.00 0.00 H new ATOM 515 N ASP A 34 11.438 -0.408 0.422 1.00 0.00 N ATOM 516 CA ASP A 34 12.383 0.135 -0.558 1.00 0.00 C ATOM 517 C ASP A 34 11.799 0.052 -1.966 1.00 0.00 C ATOM 518 O ASP A 34 11.769 1.057 -2.670 1.00 0.00 O ATOM 519 CB ASP A 34 13.718 -0.606 -0.446 1.00 0.00 C ATOM 520 CG ASP A 34 14.765 -0.223 -1.498 1.00 0.00 C ATOM 521 OD1 ASP A 34 14.837 0.940 -1.960 1.00 0.00 O ATOM 522 OD2 ASP A 34 15.612 -1.098 -1.791 1.00 0.00 O ATOM 0 H ASP A 34 11.757 -1.280 0.845 1.00 0.00 H new ATOM 0 HA ASP A 34 12.563 1.189 -0.349 1.00 0.00 H new ATOM 0 HB2 ASP A 34 14.136 -0.422 0.544 1.00 0.00 H new ATOM 0 HB3 ASP A 34 13.528 -1.677 -0.518 1.00 0.00 H new ATOM 527 N ASP A 35 11.262 -1.104 -2.356 1.00 0.00 N ATOM 528 CA ASP A 35 10.608 -1.341 -3.643 1.00 0.00 C ATOM 529 C ASP A 35 9.441 -0.381 -3.839 1.00 0.00 C ATOM 530 O ASP A 35 9.195 0.072 -4.958 1.00 0.00 O ATOM 531 CB ASP A 35 10.058 -2.774 -3.758 1.00 0.00 C ATOM 532 CG ASP A 35 10.982 -3.765 -4.461 1.00 0.00 C ATOM 533 OD1 ASP A 35 11.887 -3.347 -5.220 1.00 0.00 O ATOM 534 OD2 ASP A 35 10.801 -4.994 -4.293 1.00 0.00 O ATOM 0 H ASP A 35 11.271 -1.933 -1.761 1.00 0.00 H new ATOM 0 HA ASP A 35 11.371 -1.184 -4.406 1.00 0.00 H new ATOM 0 HB2 ASP A 35 9.845 -3.147 -2.756 1.00 0.00 H new ATOM 0 HB3 ASP A 35 9.110 -2.741 -4.294 1.00 0.00 H new ATOM 539 N LEU A 36 8.730 -0.072 -2.755 1.00 0.00 N ATOM 540 CA LEU A 36 7.632 0.877 -2.738 1.00 0.00 C ATOM 541 C LEU A 36 8.154 2.303 -2.916 1.00 0.00 C ATOM 542 O LEU A 36 7.629 3.049 -3.742 1.00 0.00 O ATOM 543 CB LEU A 36 6.906 0.788 -1.391 1.00 0.00 C ATOM 544 CG LEU A 36 5.673 -0.124 -1.348 1.00 0.00 C ATOM 545 CD1 LEU A 36 5.796 -1.445 -2.116 1.00 0.00 C ATOM 546 CD2 LEU A 36 5.403 -0.422 0.128 1.00 0.00 C ATOM 0 H LEU A 36 8.912 -0.490 -1.842 1.00 0.00 H new ATOM 0 HA LEU A 36 6.952 0.637 -3.555 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.616 0.440 -0.641 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.600 1.793 -1.099 1.00 0.00 H new ATOM 0 HG LEU A 36 4.862 0.406 -1.848 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.869 -2.010 -2.019 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.985 -1.237 -3.169 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.621 -2.028 -1.707 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.531 -1.071 0.215 1.00 0.00 H new ATOM 0 HD22 LEU A 36 6.270 -0.919 0.563 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.215 0.511 0.659 1.00 0.00 H new ATOM 558 N ASN A 37 9.188 2.694 -2.158 1.00 0.00 N ATOM 559 CA ASN A 37 9.791 4.022 -2.255 1.00 0.00 C ATOM 560 C ASN A 37 10.444 4.227 -3.633 1.00 0.00 C ATOM 561 O ASN A 37 10.704 5.357 -4.052 1.00 0.00 O ATOM 562 CB ASN A 37 10.850 4.183 -1.152 1.00 0.00 C ATOM 563 CG ASN A 37 10.308 4.567 0.222 1.00 0.00 C ATOM 564 OD1 ASN A 37 9.830 5.668 0.458 1.00 0.00 O ATOM 565 ND2 ASN A 37 10.409 3.668 1.183 1.00 0.00 N ATOM 0 H ASN A 37 9.628 2.094 -1.460 1.00 0.00 H new ATOM 0 HA ASN A 37 9.009 4.771 -2.130 1.00 0.00 H new ATOM 0 HB2 ASN A 37 11.399 3.246 -1.059 1.00 0.00 H new ATOM 0 HB3 ASN A 37 11.566 4.942 -1.467 1.00 0.00 H new ATOM 0 HD21 ASN A 37 10.088 3.890 2.125 1.00 0.00 H new ATOM 0 HD22 ASN A 37 10.808 2.751 0.983 1.00 0.00 H new ATOM 572 N GLN A 38 10.735 3.133 -4.339 1.00 0.00 N ATOM 573 CA GLN A 38 11.249 3.082 -5.697 1.00 0.00 C ATOM 574 C GLN A 38 10.160 3.453 -6.709 1.00 0.00 C ATOM 575 O GLN A 38 10.499 3.855 -7.821 1.00 0.00 O ATOM 576 CB GLN A 38 11.776 1.660 -5.957 1.00 0.00 C ATOM 577 CG GLN A 38 13.306 1.572 -6.001 1.00 0.00 C ATOM 578 CD GLN A 38 13.873 1.804 -7.394 1.00 0.00 C ATOM 579 OE1 GLN A 38 14.818 2.561 -7.582 1.00 0.00 O ATOM 580 NE2 GLN A 38 13.365 1.102 -8.390 1.00 0.00 N ATOM 0 H GLN A 38 10.607 2.201 -3.946 1.00 0.00 H new ATOM 0 HA GLN A 38 12.056 3.805 -5.815 1.00 0.00 H new ATOM 0 HB2 GLN A 38 11.404 0.995 -5.177 1.00 0.00 H new ATOM 0 HB3 GLN A 38 11.372 1.299 -6.903 1.00 0.00 H new ATOM 0 HG2 GLN A 38 13.727 2.308 -5.316 1.00 0.00 H new ATOM 0 HG3 GLN A 38 13.619 0.590 -5.646 1.00 0.00 H new ATOM 0 HE21 GLN A 38 12.578 0.475 -8.223 1.00 0.00 H new ATOM 0 HE22 GLN A 38 13.759 1.187 -9.327 1.00 0.00 H new ATOM 589 N MET A 39 8.875 3.312 -6.360 1.00 0.00 N ATOM 590 CA MET A 39 7.759 3.602 -7.241 1.00 0.00 C ATOM 591 C MET A 39 7.302 5.052 -7.103 1.00 0.00 C ATOM 592 O MET A 39 6.859 5.646 -8.088 1.00 0.00 O ATOM 593 CB MET A 39 6.613 2.654 -6.886 1.00 0.00 C ATOM 594 CG MET A 39 6.985 1.202 -7.204 1.00 0.00 C ATOM 595 SD MET A 39 5.947 -0.112 -6.503 1.00 0.00 S ATOM 596 CE MET A 39 4.320 0.645 -6.649 1.00 0.00 C ATOM 0 H MET A 39 8.587 2.986 -5.437 1.00 0.00 H new ATOM 0 HA MET A 39 8.070 3.457 -8.276 1.00 0.00 H new ATOM 0 HB2 MET A 39 6.373 2.748 -5.827 1.00 0.00 H new ATOM 0 HB3 MET A 39 5.718 2.934 -7.442 1.00 0.00 H new ATOM 0 HG2 MET A 39 6.985 1.086 -8.288 1.00 0.00 H new ATOM 0 HG3 MET A 39 8.008 1.037 -6.866 1.00 0.00 H new ATOM 0 HE1 MET A 39 3.583 -0.121 -6.889 1.00 0.00 H new ATOM 0 HE2 MET A 39 4.054 1.121 -5.705 1.00 0.00 H new ATOM 0 HE3 MET A 39 4.337 1.393 -7.441 1.00 0.00 H new ATOM 606 N THR A 40 7.386 5.628 -5.903 1.00 0.00 N ATOM 607 CA THR A 40 7.117 7.040 -5.695 1.00 0.00 C ATOM 608 C THR A 40 8.217 7.926 -6.291 1.00 0.00 C ATOM 609 O THR A 40 7.918 9.025 -6.758 1.00 0.00 O ATOM 610 CB THR A 40 6.956 7.311 -4.195 1.00 0.00 C ATOM 611 OG1 THR A 40 8.025 6.768 -3.446 1.00 0.00 O ATOM 612 CG2 THR A 40 5.683 6.682 -3.635 1.00 0.00 C ATOM 0 H THR A 40 7.642 5.125 -5.054 1.00 0.00 H new ATOM 0 HA THR A 40 6.192 7.292 -6.213 1.00 0.00 H new ATOM 0 HB THR A 40 6.926 8.397 -4.104 1.00 0.00 H new ATOM 0 HG1 THR A 40 7.889 6.961 -2.495 1.00 0.00 H new ATOM 0 HG21 THR A 40 5.609 6.899 -2.569 1.00 0.00 H new ATOM 0 HG22 THR A 40 4.816 7.095 -4.151 1.00 0.00 H new ATOM 0 HG23 THR A 40 5.714 5.603 -3.785 1.00 0.00 H new ATOM 620 N GLY A 41 9.474 7.468 -6.278 1.00 0.00 N ATOM 621 CA GLY A 41 10.608 8.370 -6.424 1.00 0.00 C ATOM 622 C GLY A 41 10.729 9.216 -5.158 1.00 0.00 C ATOM 623 O GLY A 41 10.847 10.440 -5.224 1.00 0.00 O ATOM 0 H GLY A 41 9.724 6.485 -6.168 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.524 7.802 -6.587 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.471 9.011 -7.295 1.00 0.00 H new ATOM 627 N PHE A 42 10.638 8.571 -3.989 1.00 0.00 N ATOM 628 CA PHE A 42 10.799 9.214 -2.689 1.00 0.00 C ATOM 629 C PHE A 42 12.168 9.900 -2.601 1.00 0.00 C ATOM 630 O PHE A 42 13.171 9.403 -3.126 1.00 0.00 O ATOM 631 CB PHE A 42 10.560 8.174 -1.577 1.00 0.00 C ATOM 632 CG PHE A 42 11.291 8.453 -0.280 1.00 0.00 C ATOM 633 CD1 PHE A 42 10.968 9.578 0.504 1.00 0.00 C ATOM 634 CD2 PHE A 42 12.368 7.630 0.094 1.00 0.00 C ATOM 635 CE1 PHE A 42 11.800 9.940 1.570 1.00 0.00 C ATOM 636 CE2 PHE A 42 13.134 7.938 1.225 1.00 0.00 C ATOM 637 CZ PHE A 42 12.882 9.123 1.936 1.00 0.00 C ATOM 0 H PHE A 42 10.447 7.571 -3.924 1.00 0.00 H new ATOM 0 HA PHE A 42 10.059 10.003 -2.557 1.00 0.00 H new ATOM 0 HB2 PHE A 42 9.491 8.122 -1.371 1.00 0.00 H new ATOM 0 HB3 PHE A 42 10.862 7.193 -1.945 1.00 0.00 H new ATOM 0 HD1 PHE A 42 10.084 10.158 0.284 1.00 0.00 H new ATOM 0 HD2 PHE A 42 12.606 6.756 -0.494 1.00 0.00 H new ATOM 0 HE1 PHE A 42 11.609 10.853 2.114 1.00 0.00 H new ATOM 0 HE2 PHE A 42 13.916 7.267 1.549 1.00 0.00 H new ATOM 0 HZ PHE A 42 13.519 9.405 2.762 1.00 0.00 H new ATOM 647 N THR A 43 12.236 11.043 -1.913 1.00 0.00 N ATOM 648 CA THR A 43 13.471 11.739 -1.651 1.00 0.00 C ATOM 649 C THR A 43 13.405 12.251 -0.214 1.00 0.00 C ATOM 650 O THR A 43 12.356 12.695 0.258 1.00 0.00 O ATOM 651 CB THR A 43 13.635 12.857 -2.699 1.00 0.00 C ATOM 652 OG1 THR A 43 13.292 12.436 -4.011 1.00 0.00 O ATOM 653 CG2 THR A 43 15.071 13.348 -2.762 1.00 0.00 C ATOM 0 H THR A 43 11.416 11.507 -1.522 1.00 0.00 H new ATOM 0 HA THR A 43 14.349 11.099 -1.739 1.00 0.00 H new ATOM 0 HB THR A 43 12.958 13.648 -2.376 1.00 0.00 H new ATOM 0 HG1 THR A 43 13.412 13.182 -4.636 1.00 0.00 H new ATOM 0 HG21 THR A 43 15.154 14.136 -3.510 1.00 0.00 H new ATOM 0 HG22 THR A 43 15.365 13.740 -1.788 1.00 0.00 H new ATOM 0 HG23 THR A 43 15.727 12.521 -3.033 1.00 0.00 H new ATOM 661 N LYS A 44 14.517 12.142 0.508 1.00 0.00 N ATOM 662 CA LYS A 44 14.716 12.802 1.785 1.00 0.00 C ATOM 663 C LYS A 44 14.905 14.308 1.574 1.00 0.00 C ATOM 664 O LYS A 44 15.177 14.747 0.455 1.00 0.00 O ATOM 665 CB LYS A 44 15.928 12.178 2.497 1.00 0.00 C ATOM 666 CG LYS A 44 15.549 11.084 3.510 1.00 0.00 C ATOM 667 CD LYS A 44 16.452 11.158 4.748 1.00 0.00 C ATOM 668 CE LYS A 44 16.432 9.862 5.564 1.00 0.00 C ATOM 669 NZ LYS A 44 15.347 9.797 6.559 1.00 0.00 N ATOM 0 H LYS A 44 15.316 11.581 0.212 1.00 0.00 H new ATOM 0 HA LYS A 44 13.837 12.663 2.415 1.00 0.00 H new ATOM 0 HB2 LYS A 44 16.599 11.754 1.750 1.00 0.00 H new ATOM 0 HB3 LYS A 44 16.481 12.964 3.012 1.00 0.00 H new ATOM 0 HG2 LYS A 44 14.507 11.201 3.806 1.00 0.00 H new ATOM 0 HG3 LYS A 44 15.640 10.103 3.045 1.00 0.00 H new ATOM 0 HD2 LYS A 44 17.474 11.372 4.436 1.00 0.00 H new ATOM 0 HD3 LYS A 44 16.131 11.987 5.379 1.00 0.00 H new ATOM 0 HE2 LYS A 44 16.337 9.017 4.882 1.00 0.00 H new ATOM 0 HE3 LYS A 44 17.388 9.752 6.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 15.399 8.893 7.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 15.447 10.582 7.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 14.429 9.870 6.076 1.00 0.00 H new ATOM 683 N PRO A 45 14.804 15.093 2.653 1.00 0.00 N ATOM 684 CA PRO A 45 14.391 14.628 3.965 1.00 0.00 C ATOM 685 C PRO A 45 12.901 14.301 3.959 1.00 0.00 C ATOM 686 O PRO A 45 12.096 15.093 3.464 1.00 0.00 O ATOM 687 CB PRO A 45 14.690 15.763 4.915 1.00 0.00 C ATOM 688 CG PRO A 45 14.626 17.011 4.034 1.00 0.00 C ATOM 689 CD PRO A 45 15.055 16.520 2.656 1.00 0.00 C ATOM 0 HA PRO A 45 14.915 13.719 4.260 1.00 0.00 H new ATOM 0 HB2 PRO A 45 13.961 15.808 5.724 1.00 0.00 H new ATOM 0 HB3 PRO A 45 15.671 15.650 5.376 1.00 0.00 H new ATOM 0 HG2 PRO A 45 13.621 17.431 4.012 1.00 0.00 H new ATOM 0 HG3 PRO A 45 15.290 17.793 4.403 1.00 0.00 H new ATOM 0 HD2 PRO A 45 14.489 17.019 1.869 1.00 0.00 H new ATOM 0 HD3 PRO A 45 16.109 16.733 2.475 1.00 0.00 H new ATOM 697 N ALA A 46 12.536 13.112 4.446 1.00 0.00 N ATOM 698 CA ALA A 46 11.143 12.733 4.452 1.00 0.00 C ATOM 699 C ALA A 46 10.426 13.538 5.530 1.00 0.00 C ATOM 700 O ALA A 46 10.842 13.531 6.688 1.00 0.00 O ATOM 701 CB ALA A 46 10.951 11.233 4.675 1.00 0.00 C ATOM 0 H ALA A 46 13.177 12.418 4.830 1.00 0.00 H new ATOM 0 HA ALA A 46 10.717 12.953 3.473 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.887 10.998 4.671 1.00 0.00 H new ATOM 0 HB2 ALA A 46 11.448 10.680 3.878 1.00 0.00 H new ATOM 0 HB3 ALA A 46 11.382 10.950 5.635 1.00 0.00 H new ATOM 707 N SER A 47 9.328 14.201 5.177 1.00 0.00 N ATOM 708 CA SER A 47 8.513 14.900 6.167 1.00 0.00 C ATOM 709 C SER A 47 7.818 13.937 7.141 1.00 0.00 C ATOM 710 O SER A 47 7.394 14.360 8.221 1.00 0.00 O ATOM 711 CB SER A 47 7.485 15.761 5.437 1.00 0.00 C ATOM 712 OG SER A 47 8.065 16.976 4.993 1.00 0.00 O ATOM 0 H SER A 47 8.983 14.269 4.219 1.00 0.00 H new ATOM 0 HA SER A 47 9.170 15.527 6.771 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.085 15.212 4.585 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.647 15.975 6.101 1.00 0.00 H new ATOM 0 HG SER A 47 7.389 17.510 4.527 1.00 0.00 H new ATOM 718 N ARG A 48 7.669 12.655 6.792 1.00 0.00 N ATOM 719 CA ARG A 48 7.043 11.637 7.630 1.00 0.00 C ATOM 720 C ARG A 48 7.440 10.257 7.132 1.00 0.00 C ATOM 721 O ARG A 48 7.795 10.112 5.962 1.00 0.00 O ATOM 722 CB ARG A 48 5.508 11.799 7.644 1.00 0.00 C ATOM 723 CG ARG A 48 4.880 12.199 6.295 1.00 0.00 C ATOM 724 CD ARG A 48 3.394 11.835 6.270 1.00 0.00 C ATOM 725 NE ARG A 48 2.593 12.651 5.345 1.00 0.00 N ATOM 726 CZ ARG A 48 1.340 12.366 4.966 1.00 0.00 C ATOM 727 NH1 ARG A 48 0.720 11.290 5.434 1.00 0.00 N ATOM 728 NH2 ARG A 48 0.696 13.154 4.115 1.00 0.00 N ATOM 0 H ARG A 48 7.990 12.291 5.895 1.00 0.00 H new ATOM 0 HA ARG A 48 7.393 11.758 8.655 1.00 0.00 H new ATOM 0 HB2 ARG A 48 5.062 10.859 7.970 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.245 12.552 8.387 1.00 0.00 H new ATOM 0 HG2 ARG A 48 5.001 13.270 6.133 1.00 0.00 H new ATOM 0 HG3 ARG A 48 5.399 11.693 5.481 1.00 0.00 H new ATOM 0 HD2 ARG A 48 3.292 10.786 5.994 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.988 11.940 7.276 1.00 0.00 H new ATOM 0 HE ARG A 48 3.022 13.495 4.965 1.00 0.00 H new ATOM 0 HH11 ARG A 48 1.198 10.671 6.089 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -0.234 11.082 5.139 1.00 0.00 H new ATOM 0 HH21 ARG A 48 1.155 13.986 3.743 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -0.258 12.928 3.833 1.00 0.00 H new ATOM 742 N GLU A 49 7.306 9.249 7.990 1.00 0.00 N ATOM 743 CA GLU A 49 7.465 7.838 7.656 1.00 0.00 C ATOM 744 C GLU A 49 6.152 7.150 8.002 1.00 0.00 C ATOM 745 O GLU A 49 5.737 7.175 9.164 1.00 0.00 O ATOM 746 CB GLU A 49 8.634 7.212 8.435 1.00 0.00 C ATOM 747 CG GLU A 49 9.966 7.472 7.725 1.00 0.00 C ATOM 748 CD GLU A 49 11.205 6.985 8.488 1.00 0.00 C ATOM 749 OE1 GLU A 49 11.078 6.328 9.550 1.00 0.00 O ATOM 750 OE2 GLU A 49 12.324 7.257 7.996 1.00 0.00 O ATOM 0 H GLU A 49 7.075 9.399 8.972 1.00 0.00 H new ATOM 0 HA GLU A 49 7.697 7.719 6.598 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.668 7.626 9.443 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.475 6.138 8.537 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.943 6.987 6.749 1.00 0.00 H new ATOM 0 HG3 GLU A 49 10.064 8.543 7.546 1.00 0.00 H new ATOM 757 N LEU A 50 5.465 6.598 7.003 1.00 0.00 N ATOM 758 CA LEU A 50 4.277 5.780 7.198 1.00 0.00 C ATOM 759 C LEU A 50 4.691 4.327 7.276 1.00 0.00 C ATOM 760 O LEU A 50 5.381 3.841 6.381 1.00 0.00 O ATOM 761 CB LEU A 50 3.306 5.918 6.025 1.00 0.00 C ATOM 762 CG LEU A 50 2.790 7.330 5.746 1.00 0.00 C ATOM 763 CD1 LEU A 50 2.671 8.252 6.962 1.00 0.00 C ATOM 764 CD2 LEU A 50 3.550 8.008 4.620 1.00 0.00 C ATOM 0 H LEU A 50 5.725 6.710 6.023 1.00 0.00 H new ATOM 0 HA LEU A 50 3.787 6.112 8.113 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.798 5.548 5.126 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.450 5.269 6.209 1.00 0.00 H new ATOM 0 HG LEU A 50 1.761 7.160 5.428 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.296 9.225 6.645 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.981 7.815 7.684 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.651 8.373 7.424 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.147 9.008 4.459 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.605 8.080 4.885 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.445 7.423 3.706 1.00 0.00 H new ATOM 776 N SER A 51 4.223 3.627 8.303 1.00 0.00 N ATOM 777 CA SER A 51 4.624 2.241 8.524 1.00 0.00 C ATOM 778 C SER A 51 3.547 1.298 8.015 1.00 0.00 C ATOM 779 O SER A 51 2.392 1.416 8.443 1.00 0.00 O ATOM 780 CB SER A 51 4.955 1.984 9.998 1.00 0.00 C ATOM 781 OG SER A 51 3.801 1.849 10.808 1.00 0.00 O ATOM 0 H SER A 51 3.568 3.994 8.994 1.00 0.00 H new ATOM 0 HA SER A 51 5.536 2.050 7.959 1.00 0.00 H new ATOM 0 HB2 SER A 51 5.556 1.078 10.077 1.00 0.00 H new ATOM 0 HB3 SER A 51 5.564 2.805 10.377 1.00 0.00 H new ATOM 0 HG SER A 51 3.025 1.655 10.242 1.00 0.00 H new ATOM 787 N VAL A 52 3.928 0.342 7.175 1.00 0.00 N ATOM 788 CA VAL A 52 3.116 -0.816 6.851 1.00 0.00 C ATOM 789 C VAL A 52 3.039 -1.717 8.080 1.00 0.00 C ATOM 790 O VAL A 52 3.912 -1.697 8.952 1.00 0.00 O ATOM 791 CB VAL A 52 3.726 -1.534 5.630 1.00 0.00 C ATOM 792 CG1 VAL A 52 3.005 -2.831 5.228 1.00 0.00 C ATOM 793 CG2 VAL A 52 3.624 -0.579 4.442 1.00 0.00 C ATOM 0 H VAL A 52 4.827 0.354 6.693 1.00 0.00 H new ATOM 0 HA VAL A 52 2.100 -0.526 6.585 1.00 0.00 H new ATOM 0 HB VAL A 52 4.746 -1.805 5.901 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.500 -3.269 4.361 1.00 0.00 H new ATOM 0 HG12 VAL A 52 3.035 -3.537 6.058 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.967 -2.608 4.979 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.047 -1.053 3.556 1.00 0.00 H new ATOM 0 HG22 VAL A 52 2.577 -0.337 4.259 1.00 0.00 H new ATOM 0 HG23 VAL A 52 4.175 0.335 4.662 1.00 0.00 H new ATOM 803 N THR A 53 1.996 -2.532 8.113 1.00 0.00 N ATOM 804 CA THR A 53 1.768 -3.637 9.018 1.00 0.00 C ATOM 805 C THR A 53 1.107 -4.736 8.179 1.00 0.00 C ATOM 806 O THR A 53 0.282 -4.421 7.320 1.00 0.00 O ATOM 807 CB THR A 53 0.913 -3.132 10.188 1.00 0.00 C ATOM 808 OG1 THR A 53 -0.035 -2.116 9.883 1.00 0.00 O ATOM 809 CG2 THR A 53 1.820 -2.577 11.294 1.00 0.00 C ATOM 0 H THR A 53 1.227 -2.425 7.451 1.00 0.00 H new ATOM 0 HA THR A 53 2.673 -4.047 9.466 1.00 0.00 H new ATOM 0 HB THR A 53 0.345 -4.012 10.490 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.830 -2.521 9.477 1.00 0.00 H new ATOM 0 HG21 THR A 53 1.207 -2.220 12.122 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.485 -3.364 11.648 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.412 -1.752 10.899 1.00 0.00 H new ATOM 817 N PHE A 54 1.509 -5.998 8.332 1.00 0.00 N ATOM 818 CA PHE A 54 0.966 -7.116 7.570 1.00 0.00 C ATOM 819 C PHE A 54 -0.052 -7.828 8.435 1.00 0.00 C ATOM 820 O PHE A 54 0.273 -8.160 9.576 1.00 0.00 O ATOM 821 CB PHE A 54 2.098 -8.084 7.194 1.00 0.00 C ATOM 822 CG PHE A 54 3.164 -7.556 6.251 1.00 0.00 C ATOM 823 CD1 PHE A 54 2.867 -6.567 5.303 1.00 0.00 C ATOM 824 CD2 PHE A 54 4.445 -8.125 6.261 1.00 0.00 C ATOM 825 CE1 PHE A 54 3.807 -6.216 4.318 1.00 0.00 C ATOM 826 CE2 PHE A 54 5.370 -7.815 5.254 1.00 0.00 C ATOM 827 CZ PHE A 54 5.054 -6.863 4.271 1.00 0.00 C ATOM 0 H PHE A 54 2.231 -6.273 8.998 1.00 0.00 H new ATOM 0 HA PHE A 54 0.495 -6.757 6.655 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.587 -8.408 8.113 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.652 -8.969 6.741 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.908 -6.071 5.329 1.00 0.00 H new ATOM 0 HD2 PHE A 54 4.722 -8.808 7.051 1.00 0.00 H new ATOM 0 HE1 PHE A 54 3.571 -5.448 3.596 1.00 0.00 H new ATOM 0 HE2 PHE A 54 6.330 -8.310 5.234 1.00 0.00 H new ATOM 0 HZ PHE A 54 5.761 -6.631 3.488 1.00 0.00 H new ATOM 837 N PHE A 55 -1.270 -8.072 7.929 1.00 0.00 N ATOM 838 CA PHE A 55 -2.265 -8.679 8.789 1.00 0.00 C ATOM 839 C PHE A 55 -1.744 -10.044 9.291 1.00 0.00 C ATOM 840 O PHE A 55 -1.193 -10.801 8.480 1.00 0.00 O ATOM 841 CB PHE A 55 -3.599 -8.814 8.034 1.00 0.00 C ATOM 842 CG PHE A 55 -4.792 -8.193 8.738 1.00 0.00 C ATOM 843 CD1 PHE A 55 -5.587 -8.959 9.615 1.00 0.00 C ATOM 844 CD2 PHE A 55 -5.149 -6.860 8.471 1.00 0.00 C ATOM 845 CE1 PHE A 55 -6.732 -8.396 10.208 1.00 0.00 C ATOM 846 CE2 PHE A 55 -6.300 -6.299 9.053 1.00 0.00 C ATOM 847 CZ PHE A 55 -7.094 -7.068 9.921 1.00 0.00 C ATOM 0 H PHE A 55 -1.569 -7.867 6.976 1.00 0.00 H new ATOM 0 HA PHE A 55 -2.445 -8.047 9.658 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -3.493 -8.353 7.052 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.802 -9.872 7.869 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -5.316 -9.982 9.832 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -4.535 -6.262 7.814 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -7.334 -8.985 10.885 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -6.574 -5.278 8.833 1.00 0.00 H new ATOM 0 HZ PHE A 55 -7.980 -6.640 10.366 1.00 0.00 H new ATOM 857 N PRO A 56 -2.155 -10.495 10.487 1.00 0.00 N ATOM 858 CA PRO A 56 -2.718 -9.661 11.537 1.00 0.00 C ATOM 859 C PRO A 56 -1.673 -8.757 12.228 1.00 0.00 C ATOM 860 O PRO A 56 -1.012 -9.114 13.209 1.00 0.00 O ATOM 861 CB PRO A 56 -3.364 -10.654 12.501 1.00 0.00 C ATOM 862 CG PRO A 56 -2.417 -11.853 12.433 1.00 0.00 C ATOM 863 CD PRO A 56 -1.897 -11.835 10.994 1.00 0.00 C ATOM 0 HA PRO A 56 -3.436 -8.945 11.137 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -3.434 -10.250 13.511 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -4.375 -10.919 12.192 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -1.603 -11.760 13.152 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -2.936 -12.785 12.658 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -0.832 -12.065 10.962 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -2.404 -12.585 10.387 1.00 0.00 H new ATOM 871 N ASP A 57 -1.576 -7.530 11.740 1.00 0.00 N ATOM 872 CA ASP A 57 -1.067 -6.327 12.349 1.00 0.00 C ATOM 873 C ASP A 57 -1.769 -5.221 11.581 1.00 0.00 C ATOM 874 O ASP A 57 -1.853 -5.286 10.354 1.00 0.00 O ATOM 875 CB ASP A 57 0.450 -6.162 12.220 1.00 0.00 C ATOM 876 CG ASP A 57 0.942 -5.074 13.176 1.00 0.00 C ATOM 877 OD1 ASP A 57 0.172 -4.173 13.563 1.00 0.00 O ATOM 878 OD2 ASP A 57 2.109 -5.149 13.620 1.00 0.00 O ATOM 0 H ASP A 57 -1.894 -7.340 10.790 1.00 0.00 H new ATOM 0 HA ASP A 57 -1.253 -6.328 13.423 1.00 0.00 H new ATOM 0 HB2 ASP A 57 0.947 -7.106 12.444 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.710 -5.901 11.194 1.00 0.00 H new ATOM 883 N LEU A 58 -2.343 -4.266 12.297 1.00 0.00 N ATOM 884 CA LEU A 58 -3.006 -3.096 11.771 1.00 0.00 C ATOM 885 C LEU A 58 -2.721 -1.901 12.696 1.00 0.00 C ATOM 886 O LEU A 58 -3.491 -0.942 12.734 1.00 0.00 O ATOM 887 CB LEU A 58 -4.497 -3.412 11.532 1.00 0.00 C ATOM 888 CG LEU A 58 -5.233 -4.153 12.674 1.00 0.00 C ATOM 889 CD1 LEU A 58 -6.727 -3.891 12.545 1.00 0.00 C ATOM 890 CD2 LEU A 58 -5.054 -5.685 12.657 1.00 0.00 C ATOM 0 H LEU A 58 -2.356 -4.294 13.317 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.618 -2.809 10.794 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.019 -2.474 11.341 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.578 -4.013 10.626 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.800 -3.773 13.599 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -7.257 -4.408 13.345 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -6.916 -2.820 12.617 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -7.079 -4.257 11.580 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.602 -6.125 13.490 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.438 -6.086 11.719 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.996 -5.929 12.750 1.00 0.00 H new ATOM 902 N ASN A 59 -1.619 -1.952 13.459 1.00 0.00 N ATOM 903 CA ASN A 59 -1.133 -0.863 14.314 1.00 0.00 C ATOM 904 C ASN A 59 -0.520 0.268 13.494 1.00 0.00 C ATOM 905 O ASN A 59 -0.331 1.364 14.026 1.00 0.00 O ATOM 906 CB ASN A 59 -0.007 -1.350 15.241 1.00 0.00 C ATOM 907 CG ASN A 59 -0.484 -2.228 16.374 1.00 0.00 C ATOM 908 OD1 ASN A 59 -0.708 -1.778 17.491 1.00 0.00 O ATOM 909 ND2 ASN A 59 -0.675 -3.497 16.084 1.00 0.00 N ATOM 0 H ASN A 59 -1.024 -2.779 13.498 1.00 0.00 H new ATOM 0 HA ASN A 59 -2.002 -0.519 14.874 1.00 0.00 H new ATOM 0 HB2 ASN A 59 0.724 -1.902 14.650 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.508 -0.484 15.657 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -1.019 -4.137 16.799 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -0.479 -3.840 15.144 1.00 0.00 H new ATOM 916 N GLY A 60 -0.117 -0.034 12.260 1.00 0.00 N ATOM 917 CA GLY A 60 0.614 0.874 11.388 1.00 0.00 C ATOM 918 C GLY A 60 -0.269 1.980 10.820 1.00 0.00 C ATOM 919 O GLY A 60 -1.485 1.998 11.018 1.00 0.00 O ATOM 0 H GLY A 60 -0.297 -0.942 11.831 1.00 0.00 H new ATOM 0 HA2 GLY A 60 1.438 1.321 11.944 1.00 0.00 H new ATOM 0 HA3 GLY A 60 1.054 0.308 10.567 1.00 0.00 H new ATOM 923 N ASP A 61 0.354 2.893 10.071 1.00 0.00 N ATOM 924 CA ASP A 61 -0.358 3.969 9.383 1.00 0.00 C ATOM 925 C ASP A 61 -1.051 3.414 8.137 1.00 0.00 C ATOM 926 O ASP A 61 -2.072 3.944 7.696 1.00 0.00 O ATOM 927 CB ASP A 61 0.625 5.073 8.971 1.00 0.00 C ATOM 928 CG ASP A 61 -0.063 6.432 8.825 1.00 0.00 C ATOM 929 OD1 ASP A 61 -0.251 7.083 9.878 1.00 0.00 O ATOM 930 OD2 ASP A 61 -0.286 6.904 7.687 1.00 0.00 O ATOM 0 H ASP A 61 1.363 2.906 9.926 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.103 4.388 10.059 1.00 0.00 H new ATOM 0 HB2 ASP A 61 1.419 5.147 9.715 1.00 0.00 H new ATOM 0 HB3 ASP A 61 1.097 4.803 8.026 1.00 0.00 H new ATOM 935 N VAL A 62 -0.499 2.323 7.594 1.00 0.00 N ATOM 936 CA VAL A 62 -0.970 1.575 6.444 1.00 0.00 C ATOM 937 C VAL A 62 -0.939 0.097 6.838 1.00 0.00 C ATOM 938 O VAL A 62 -0.124 -0.323 7.666 1.00 0.00 O ATOM 939 CB VAL A 62 -0.069 1.882 5.225 1.00 0.00 C ATOM 940 CG1 VAL A 62 -0.532 1.146 3.953 1.00 0.00 C ATOM 941 CG2 VAL A 62 0.016 3.394 4.940 1.00 0.00 C ATOM 0 H VAL A 62 0.352 1.917 7.983 1.00 0.00 H new ATOM 0 HA VAL A 62 -1.985 1.851 6.157 1.00 0.00 H new ATOM 0 HB VAL A 62 0.923 1.517 5.491 1.00 0.00 H new ATOM 0 HG11 VAL A 62 0.133 1.395 3.126 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.509 0.070 4.126 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.549 1.452 3.705 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.658 3.566 4.076 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.981 3.782 4.733 1.00 0.00 H new ATOM 0 HG23 VAL A 62 0.431 3.905 5.809 1.00 0.00 H new ATOM 951 N VAL A 63 -1.801 -0.703 6.217 1.00 0.00 N ATOM 952 CA VAL A 63 -1.954 -2.125 6.479 1.00 0.00 C ATOM 953 C VAL A 63 -1.781 -2.854 5.139 1.00 0.00 C ATOM 954 O VAL A 63 -2.035 -2.267 4.088 1.00 0.00 O ATOM 955 CB VAL A 63 -3.341 -2.347 7.125 1.00 0.00 C ATOM 956 CG1 VAL A 63 -3.515 -3.786 7.613 1.00 0.00 C ATOM 957 CG2 VAL A 63 -3.609 -1.399 8.313 1.00 0.00 C ATOM 0 H VAL A 63 -2.433 -0.364 5.492 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.211 -2.518 7.173 1.00 0.00 H new ATOM 0 HB VAL A 63 -4.060 -2.131 6.334 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -4.502 -3.902 8.061 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.416 -4.470 6.770 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.751 -4.013 8.356 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -4.597 -1.602 8.725 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -2.855 -1.559 9.084 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.564 -0.365 7.971 1.00 0.00 H new ATOM 967 N ALA A 64 -1.377 -4.125 5.137 1.00 0.00 N ATOM 968 CA ALA A 64 -1.384 -4.993 3.968 1.00 0.00 C ATOM 969 C ALA A 64 -2.348 -6.134 4.191 1.00 0.00 C ATOM 970 O ALA A 64 -2.557 -6.590 5.318 1.00 0.00 O ATOM 971 CB ALA A 64 -0.005 -5.569 3.667 1.00 0.00 C ATOM 0 H ALA A 64 -1.026 -4.589 5.975 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.691 -4.386 3.116 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.062 -6.209 2.787 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.696 -4.756 3.479 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.339 -6.154 4.520 1.00 0.00 H new ATOM 977 N ILE A 65 -2.866 -6.626 3.077 1.00 0.00 N ATOM 978 CA ILE A 65 -3.736 -7.768 2.987 1.00 0.00 C ATOM 979 C ILE A 65 -3.047 -8.742 2.017 1.00 0.00 C ATOM 980 O ILE A 65 -2.193 -8.365 1.211 1.00 0.00 O ATOM 981 CB ILE A 65 -5.154 -7.303 2.600 1.00 0.00 C ATOM 982 CG1 ILE A 65 -5.719 -6.288 3.627 1.00 0.00 C ATOM 983 CG2 ILE A 65 -6.130 -8.479 2.473 1.00 0.00 C ATOM 984 CD1 ILE A 65 -5.954 -6.833 5.041 1.00 0.00 C ATOM 0 H ILE A 65 -2.675 -6.210 2.166 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.889 -8.298 3.927 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.059 -6.819 1.628 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.032 -5.445 3.692 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.664 -5.901 3.245 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -7.117 -8.105 2.199 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.775 -9.165 1.704 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -6.193 -9.004 3.426 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.349 -6.040 5.676 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.668 -7.655 5.000 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.011 -7.192 5.454 1.00 0.00 H new ATOM 996 N ASP A 66 -3.374 -10.019 2.113 1.00 0.00 N ATOM 997 CA ASP A 66 -2.954 -11.052 1.183 1.00 0.00 C ATOM 998 C ASP A 66 -3.729 -10.965 -0.142 1.00 0.00 C ATOM 999 O ASP A 66 -4.911 -10.625 -0.199 1.00 0.00 O ATOM 1000 CB ASP A 66 -3.034 -12.443 1.837 1.00 0.00 C ATOM 1001 CG ASP A 66 -4.137 -12.668 2.882 1.00 0.00 C ATOM 1002 OD1 ASP A 66 -5.274 -12.186 2.713 1.00 0.00 O ATOM 1003 OD2 ASP A 66 -3.852 -13.370 3.884 1.00 0.00 O ATOM 0 H ASP A 66 -3.960 -10.377 2.867 1.00 0.00 H new ATOM 0 HA ASP A 66 -1.907 -10.884 0.931 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.164 -13.181 1.045 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.074 -12.649 2.310 1.00 0.00 H new ATOM 1008 N TYR A 67 -3.036 -11.265 -1.249 1.00 0.00 N ATOM 1009 CA TYR A 67 -3.528 -11.120 -2.627 1.00 0.00 C ATOM 1010 C TYR A 67 -4.757 -12.018 -2.903 1.00 0.00 C ATOM 1011 O TYR A 67 -5.475 -11.753 -3.867 1.00 0.00 O ATOM 1012 CB TYR A 67 -2.356 -11.264 -3.645 1.00 0.00 C ATOM 1013 CG TYR A 67 -2.680 -11.368 -5.127 1.00 0.00 C ATOM 1014 CD1 TYR A 67 -3.075 -12.601 -5.674 1.00 0.00 C ATOM 1015 CD2 TYR A 67 -2.473 -10.268 -5.984 1.00 0.00 C ATOM 1016 CE1 TYR A 67 -3.272 -12.736 -7.060 1.00 0.00 C ATOM 1017 CE2 TYR A 67 -2.674 -10.391 -7.373 1.00 0.00 C ATOM 1018 CZ TYR A 67 -3.092 -11.627 -7.914 1.00 0.00 C ATOM 1019 OH TYR A 67 -3.295 -11.776 -9.252 1.00 0.00 O ATOM 0 H TYR A 67 -2.084 -11.628 -1.209 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.911 -10.109 -2.766 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -1.696 -10.407 -3.511 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.786 -12.151 -3.369 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -3.228 -13.451 -5.025 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.157 -9.321 -5.572 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -3.562 -13.691 -7.472 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.509 -9.543 -8.022 1.00 0.00 H new ATOM 0 HH TYR A 67 -3.132 -10.922 -9.705 1.00 0.00 H new ATOM 1029 N ARG A 68 -5.113 -12.993 -2.044 1.00 0.00 N ATOM 1030 CA ARG A 68 -6.393 -13.705 -2.101 1.00 0.00 C ATOM 1031 C ARG A 68 -7.602 -12.773 -2.086 1.00 0.00 C ATOM 1032 O ARG A 68 -8.681 -13.178 -2.522 1.00 0.00 O ATOM 1033 CB ARG A 68 -6.516 -14.699 -0.931 1.00 0.00 C ATOM 1034 CG ARG A 68 -6.391 -14.057 0.465 1.00 0.00 C ATOM 1035 CD ARG A 68 -6.867 -14.994 1.578 1.00 0.00 C ATOM 1036 NE ARG A 68 -7.119 -14.259 2.834 1.00 0.00 N ATOM 1037 CZ ARG A 68 -7.975 -14.622 3.799 1.00 0.00 C ATOM 1038 NH1 ARG A 68 -8.299 -15.894 3.985 1.00 0.00 N ATOM 1039 NH2 ARG A 68 -8.533 -13.717 4.592 1.00 0.00 N ATOM 0 H ARG A 68 -4.509 -13.308 -1.285 1.00 0.00 H new ATOM 0 HA ARG A 68 -6.395 -14.236 -3.053 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -7.479 -15.205 -1.000 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.746 -15.463 -1.037 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -5.352 -13.781 0.644 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -6.974 -13.137 0.493 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -7.779 -15.501 1.263 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -6.117 -15.766 1.751 1.00 0.00 H new ATOM 0 HE ARG A 68 -6.594 -13.397 2.980 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -7.895 -16.616 3.388 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -8.952 -16.151 4.725 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -8.312 -12.728 4.472 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -9.183 -14.010 5.322 1.00 0.00 H new ATOM 1053 N HIS A 69 -7.473 -11.569 -1.529 1.00 0.00 N ATOM 1054 CA HIS A 69 -8.572 -10.624 -1.474 1.00 0.00 C ATOM 1055 C HIS A 69 -8.519 -9.638 -2.643 1.00 0.00 C ATOM 1056 O HIS A 69 -9.506 -8.930 -2.859 1.00 0.00 O ATOM 1057 CB HIS A 69 -8.593 -9.929 -0.108 1.00 0.00 C ATOM 1058 CG HIS A 69 -8.989 -10.803 1.059 1.00 0.00 C ATOM 1059 ND1 HIS A 69 -9.543 -12.066 1.006 1.00 0.00 N ATOM 1060 CD2 HIS A 69 -9.006 -10.409 2.371 1.00 0.00 C ATOM 1061 CE1 HIS A 69 -9.896 -12.411 2.250 1.00 0.00 C ATOM 1062 NE2 HIS A 69 -9.545 -11.453 3.123 1.00 0.00 N ATOM 0 H HIS A 69 -6.608 -11.229 -1.108 1.00 0.00 H new ATOM 0 HA HIS A 69 -9.513 -11.163 -1.582 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -7.602 -9.519 0.087 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -9.282 -9.086 -0.159 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -9.662 -12.635 0.168 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -8.663 -9.459 2.755 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -10.394 -13.332 2.515 1.00 0.00 H new ATOM 1070 N TYR A 70 -7.447 -9.603 -3.449 1.00 0.00 N ATOM 1071 CA TYR A 70 -7.442 -8.837 -4.687 1.00 0.00 C ATOM 1072 C TYR A 70 -8.259 -9.610 -5.718 1.00 0.00 C ATOM 1073 O TYR A 70 -7.722 -10.392 -6.502 1.00 0.00 O ATOM 1074 CB TYR A 70 -6.026 -8.546 -5.208 1.00 0.00 C ATOM 1075 CG TYR A 70 -5.944 -7.670 -6.462 1.00 0.00 C ATOM 1076 CD1 TYR A 70 -7.053 -6.959 -6.977 1.00 0.00 C ATOM 1077 CD2 TYR A 70 -4.717 -7.587 -7.143 1.00 0.00 C ATOM 1078 CE1 TYR A 70 -6.926 -6.189 -8.149 1.00 0.00 C ATOM 1079 CE2 TYR A 70 -4.594 -6.863 -8.340 1.00 0.00 C ATOM 1080 CZ TYR A 70 -5.699 -6.152 -8.850 1.00 0.00 C ATOM 1081 OH TYR A 70 -5.608 -5.487 -10.035 1.00 0.00 O ATOM 0 H TYR A 70 -6.576 -10.099 -3.258 1.00 0.00 H new ATOM 0 HA TYR A 70 -7.885 -7.860 -4.496 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -5.459 -8.063 -4.412 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -5.534 -9.496 -5.418 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -8.004 -7.007 -6.468 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -3.852 -8.090 -6.738 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -7.771 -5.624 -8.514 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -3.653 -6.851 -8.870 1.00 0.00 H new ATOM 0 HH TYR A 70 -4.694 -5.560 -10.382 1.00 0.00 H new ATOM 1091 N SER A 71 -9.562 -9.368 -5.740 1.00 0.00 N ATOM 1092 CA SER A 71 -10.513 -10.026 -6.626 1.00 0.00 C ATOM 1093 C SER A 71 -10.947 -9.135 -7.788 1.00 0.00 C ATOM 1094 O SER A 71 -12.109 -9.130 -8.183 1.00 0.00 O ATOM 1095 CB SER A 71 -11.678 -10.531 -5.774 1.00 0.00 C ATOM 1096 OG SER A 71 -11.578 -11.941 -5.723 1.00 0.00 O ATOM 0 H SER A 71 -10.001 -8.686 -5.122 1.00 0.00 H new ATOM 0 HA SER A 71 -10.038 -10.877 -7.114 1.00 0.00 H new ATOM 0 HB2 SER A 71 -11.634 -10.106 -4.771 1.00 0.00 H new ATOM 0 HB3 SER A 71 -12.631 -10.228 -6.207 1.00 0.00 H new ATOM 0 HG SER A 71 -12.311 -12.302 -5.181 1.00 0.00 H new ATOM 1102 N ALA A 72 -10.016 -8.341 -8.321 1.00 0.00 N ATOM 1103 CA ALA A 72 -10.195 -7.403 -9.427 1.00 0.00 C ATOM 1104 C ALA A 72 -11.195 -6.259 -9.182 1.00 0.00 C ATOM 1105 O ALA A 72 -10.978 -5.179 -9.724 1.00 0.00 O ATOM 1106 CB ALA A 72 -10.475 -8.160 -10.722 1.00 0.00 C ATOM 0 H ALA A 72 -9.059 -8.337 -7.969 1.00 0.00 H new ATOM 0 HA ALA A 72 -9.245 -6.876 -9.517 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -10.606 -7.449 -11.538 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -9.637 -8.819 -10.947 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -11.382 -8.753 -10.608 1.00 0.00 H new ATOM 1112 N SER A 73 -12.181 -6.389 -8.288 1.00 0.00 N ATOM 1113 CA SER A 73 -13.006 -5.281 -7.809 1.00 0.00 C ATOM 1114 C SER A 73 -12.133 -4.130 -7.308 1.00 0.00 C ATOM 1115 O SER A 73 -12.463 -2.960 -7.482 1.00 0.00 O ATOM 1116 CB SER A 73 -13.908 -5.775 -6.671 1.00 0.00 C ATOM 1117 OG SER A 73 -14.646 -6.919 -7.057 1.00 0.00 O ATOM 0 H SER A 73 -12.431 -7.286 -7.871 1.00 0.00 H new ATOM 0 HA SER A 73 -13.616 -4.917 -8.636 1.00 0.00 H new ATOM 0 HB2 SER A 73 -13.299 -6.010 -5.798 1.00 0.00 H new ATOM 0 HB3 SER A 73 -14.593 -4.980 -6.377 1.00 0.00 H new ATOM 0 HG SER A 73 -15.210 -7.212 -6.311 1.00 0.00 H new ATOM 1123 N PHE A 74 -10.990 -4.479 -6.721 1.00 0.00 N ATOM 1124 CA PHE A 74 -10.077 -3.604 -6.016 1.00 0.00 C ATOM 1125 C PHE A 74 -8.983 -3.047 -6.938 1.00 0.00 C ATOM 1126 O PHE A 74 -7.972 -2.560 -6.434 1.00 0.00 O ATOM 1127 CB PHE A 74 -9.532 -4.380 -4.799 1.00 0.00 C ATOM 1128 CG PHE A 74 -10.569 -5.164 -3.989 1.00 0.00 C ATOM 1129 CD1 PHE A 74 -10.908 -6.468 -4.391 1.00 0.00 C ATOM 1130 CD2 PHE A 74 -11.205 -4.616 -2.852 1.00 0.00 C ATOM 1131 CE1 PHE A 74 -11.915 -7.185 -3.718 1.00 0.00 C ATOM 1132 CE2 PHE A 74 -12.165 -5.363 -2.132 1.00 0.00 C ATOM 1133 CZ PHE A 74 -12.540 -6.635 -2.588 1.00 0.00 C ATOM 0 H PHE A 74 -10.663 -5.445 -6.730 1.00 0.00 H new ATOM 0 HA PHE A 74 -10.597 -2.715 -5.659 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -8.769 -5.076 -5.148 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -9.037 -3.673 -4.133 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -10.391 -6.923 -5.223 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -10.955 -3.616 -2.530 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -12.208 -8.162 -4.072 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -12.608 -4.956 -1.235 1.00 0.00 H new ATOM 0 HZ PHE A 74 -13.308 -7.190 -2.071 1.00 0.00 H new ATOM 1143 N LYS A 75 -9.110 -3.130 -8.277 1.00 0.00 N ATOM 1144 CA LYS A 75 -8.023 -2.808 -9.196 1.00 0.00 C ATOM 1145 C LYS A 75 -7.528 -1.372 -9.047 1.00 0.00 C ATOM 1146 O LYS A 75 -6.347 -1.118 -9.290 1.00 0.00 O ATOM 1147 CB LYS A 75 -8.428 -3.136 -10.653 1.00 0.00 C ATOM 1148 CG LYS A 75 -8.814 -1.940 -11.541 1.00 0.00 C ATOM 1149 CD LYS A 75 -9.251 -2.331 -12.959 1.00 0.00 C ATOM 1150 CE LYS A 75 -9.626 -1.046 -13.719 1.00 0.00 C ATOM 1151 NZ LYS A 75 -10.211 -1.313 -15.053 1.00 0.00 N ATOM 0 H LYS A 75 -9.970 -3.422 -8.741 1.00 0.00 H new ATOM 0 HA LYS A 75 -7.175 -3.440 -8.930 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -7.599 -3.661 -11.128 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.270 -3.828 -10.626 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.624 -1.391 -11.061 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.964 -1.261 -11.608 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.446 -2.856 -13.474 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -10.102 -3.012 -12.920 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -10.338 -0.473 -13.124 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -8.737 -0.427 -13.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -10.443 -0.412 -15.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -9.525 -1.835 -15.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -11.076 -1.880 -14.945 1.00 0.00 H new ATOM 1165 N LYS A 76 -8.427 -0.444 -8.709 1.00 0.00 N ATOM 1166 CA LYS A 76 -8.132 0.977 -8.547 1.00 0.00 C ATOM 1167 C LYS A 76 -7.743 1.323 -7.099 1.00 0.00 C ATOM 1168 O LYS A 76 -7.672 2.503 -6.749 1.00 0.00 O ATOM 1169 CB LYS A 76 -9.317 1.815 -9.013 1.00 0.00 C ATOM 1170 CG LYS A 76 -9.660 1.583 -10.487 1.00 0.00 C ATOM 1171 CD LYS A 76 -10.568 2.698 -11.002 1.00 0.00 C ATOM 1172 CE LYS A 76 -11.088 2.291 -12.377 1.00 0.00 C ATOM 1173 NZ LYS A 76 -12.106 3.234 -12.885 1.00 0.00 N ATOM 0 H LYS A 76 -9.407 -0.669 -8.536 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.269 1.213 -9.170 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.187 1.579 -8.400 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -9.094 2.871 -8.858 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -8.745 1.547 -11.079 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -10.154 0.619 -10.605 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -11.398 2.861 -10.314 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -10.018 3.637 -11.066 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.256 2.243 -13.080 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -11.517 1.290 -12.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -12.433 2.921 -13.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -12.912 3.262 -12.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.691 4.184 -12.963 1.00 0.00 H new ATOM 1187 N GLY A 77 -7.502 0.319 -6.255 1.00 0.00 N ATOM 1188 CA GLY A 77 -7.135 0.466 -4.855 1.00 0.00 C ATOM 1189 C GLY A 77 -8.344 0.288 -3.937 1.00 0.00 C ATOM 1190 O GLY A 77 -9.482 0.134 -4.397 1.00 0.00 O ATOM 0 H GLY A 77 -7.561 -0.657 -6.545 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -6.371 -0.268 -4.599 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -6.697 1.451 -4.694 1.00 0.00 H new ATOM 1194 N ALA A 78 -8.088 0.221 -2.632 1.00 0.00 N ATOM 1195 CA ALA A 78 -9.029 -0.249 -1.627 1.00 0.00 C ATOM 1196 C ALA A 78 -8.672 0.283 -0.235 1.00 0.00 C ATOM 1197 O ALA A 78 -7.748 1.080 -0.063 1.00 0.00 O ATOM 1198 CB ALA A 78 -9.015 -1.778 -1.658 1.00 0.00 C ATOM 0 H ALA A 78 -7.191 0.502 -2.236 1.00 0.00 H new ATOM 0 HA ALA A 78 -10.030 0.122 -1.849 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -9.712 -2.163 -0.914 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -9.312 -2.125 -2.648 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -8.010 -2.137 -1.435 1.00 0.00 H new ATOM 1204 N LYS A 79 -9.451 -0.115 0.766 1.00 0.00 N ATOM 1205 CA LYS A 79 -9.349 0.315 2.156 1.00 0.00 C ATOM 1206 C LYS A 79 -10.013 -0.736 3.047 1.00 0.00 C ATOM 1207 O LYS A 79 -10.764 -1.575 2.551 1.00 0.00 O ATOM 1208 CB LYS A 79 -10.019 1.693 2.329 1.00 0.00 C ATOM 1209 CG LYS A 79 -11.315 1.866 1.505 1.00 0.00 C ATOM 1210 CD LYS A 79 -12.297 2.852 2.133 1.00 0.00 C ATOM 1211 CE LYS A 79 -13.743 2.640 1.673 1.00 0.00 C ATOM 1212 NZ LYS A 79 -14.679 3.328 2.589 1.00 0.00 N ATOM 0 H LYS A 79 -10.210 -0.781 0.622 1.00 0.00 H new ATOM 0 HA LYS A 79 -8.302 0.413 2.444 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -10.248 1.845 3.384 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -9.310 2.470 2.041 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -11.058 2.207 0.502 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -11.802 0.897 1.397 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -12.251 2.760 3.218 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.989 3.868 1.886 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -13.869 3.021 0.660 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -13.970 1.574 1.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -15.656 3.176 2.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -14.569 2.945 3.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -14.471 4.347 2.597 1.00 0.00 H new ATOM 1226 N LEU A 80 -9.737 -0.696 4.346 1.00 0.00 N ATOM 1227 CA LEU A 80 -10.407 -1.484 5.376 1.00 0.00 C ATOM 1228 C LEU A 80 -11.077 -0.461 6.309 1.00 0.00 C ATOM 1229 O LEU A 80 -11.135 0.728 5.976 1.00 0.00 O ATOM 1230 CB LEU A 80 -9.368 -2.431 6.034 1.00 0.00 C ATOM 1231 CG LEU A 80 -9.837 -3.867 6.352 1.00 0.00 C ATOM 1232 CD1 LEU A 80 -8.646 -4.819 6.168 1.00 0.00 C ATOM 1233 CD2 LEU A 80 -10.344 -4.082 7.785 1.00 0.00 C ATOM 0 H LEU A 80 -9.011 -0.089 4.726 1.00 0.00 H new ATOM 0 HA LEU A 80 -11.186 -2.153 5.011 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.502 -2.495 5.375 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -9.029 -1.971 6.962 1.00 0.00 H new ATOM 0 HG LEU A 80 -10.671 -4.056 5.676 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -8.959 -5.840 6.389 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -8.291 -4.763 5.139 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -7.842 -4.531 6.846 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -10.650 -5.121 7.911 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -9.547 -3.851 8.492 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -11.195 -3.428 7.972 1.00 0.00 H new ATOM 1245 N LEU A 81 -11.544 -0.923 7.470 1.00 0.00 N ATOM 1246 CA LEU A 81 -12.361 -0.254 8.487 1.00 0.00 C ATOM 1247 C LEU A 81 -12.232 1.261 8.468 1.00 0.00 C ATOM 1248 O LEU A 81 -13.210 1.975 8.232 1.00 0.00 O ATOM 1249 CB LEU A 81 -12.006 -0.846 9.862 1.00 0.00 C ATOM 1250 CG LEU A 81 -13.177 -0.818 10.854 1.00 0.00 C ATOM 1251 CD1 LEU A 81 -12.827 -1.703 12.048 1.00 0.00 C ATOM 1252 CD2 LEU A 81 -13.529 0.577 11.371 1.00 0.00 C ATOM 0 H LEU A 81 -11.336 -1.881 7.753 1.00 0.00 H new ATOM 0 HA LEU A 81 -13.411 -0.441 8.261 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -11.673 -1.876 9.732 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.168 -0.291 10.284 1.00 0.00 H new ATOM 0 HG LEU A 81 -14.050 -1.179 10.311 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -13.650 -1.693 12.762 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -12.655 -2.724 11.706 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -11.925 -1.325 12.529 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -14.366 0.507 12.066 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -12.667 1.003 11.883 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -13.806 1.217 10.533 1.00 0.00 H new ATOM 1264 N HIS A 82 -11.025 1.752 8.720 1.00 0.00 N ATOM 1265 CA HIS A 82 -10.707 3.165 8.554 1.00 0.00 C ATOM 1266 C HIS A 82 -9.320 3.407 7.961 1.00 0.00 C ATOM 1267 O HIS A 82 -8.901 4.562 7.875 1.00 0.00 O ATOM 1268 CB HIS A 82 -10.885 3.887 9.893 1.00 0.00 C ATOM 1269 CG HIS A 82 -9.854 3.525 10.927 1.00 0.00 C ATOM 1270 ND1 HIS A 82 -8.816 4.329 11.343 1.00 0.00 N ATOM 1271 CD2 HIS A 82 -9.789 2.348 11.621 1.00 0.00 C ATOM 1272 CE1 HIS A 82 -8.159 3.668 12.307 1.00 0.00 C ATOM 1273 NE2 HIS A 82 -8.704 2.452 12.507 1.00 0.00 N ATOM 0 H HIS A 82 -10.242 1.185 9.044 1.00 0.00 H new ATOM 0 HA HIS A 82 -11.404 3.578 7.825 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -10.850 4.963 9.721 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -11.875 3.660 10.288 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -10.447 1.499 11.509 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -7.310 4.057 12.849 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -8.390 1.745 13.172 1.00 0.00 H new ATOM 1281 N LYS A 83 -8.600 2.357 7.564 1.00 0.00 N ATOM 1282 CA LYS A 83 -7.191 2.430 7.190 1.00 0.00 C ATOM 1283 C LYS A 83 -7.004 1.914 5.768 1.00 0.00 C ATOM 1284 O LYS A 83 -7.791 1.068 5.330 1.00 0.00 O ATOM 1285 CB LYS A 83 -6.356 1.636 8.208 1.00 0.00 C ATOM 1286 CG LYS A 83 -6.437 2.276 9.596 1.00 0.00 C ATOM 1287 CD LYS A 83 -5.558 1.635 10.679 1.00 0.00 C ATOM 1288 CE LYS A 83 -6.335 0.536 11.433 1.00 0.00 C ATOM 1289 NZ LYS A 83 -5.904 0.389 12.841 1.00 0.00 N ATOM 0 H LYS A 83 -8.988 1.417 7.493 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.849 3.465 7.207 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -6.714 0.608 8.256 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -5.317 1.597 7.881 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -6.163 3.327 9.507 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -7.474 2.244 9.930 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -4.665 1.208 10.223 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -5.224 2.398 11.382 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -7.400 0.768 11.407 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -6.203 -0.415 10.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -6.619 -0.152 13.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -4.994 -0.114 12.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -5.796 1.330 13.271 1.00 0.00 H new ATOM 1303 N PRO A 84 -5.967 2.347 5.038 1.00 0.00 N ATOM 1304 CA PRO A 84 -5.736 1.883 3.679 1.00 0.00 C ATOM 1305 C PRO A 84 -5.223 0.440 3.701 1.00 0.00 C ATOM 1306 O PRO A 84 -4.799 -0.053 4.754 1.00 0.00 O ATOM 1307 CB PRO A 84 -4.720 2.867 3.106 1.00 0.00 C ATOM 1308 CG PRO A 84 -3.944 3.392 4.316 1.00 0.00 C ATOM 1309 CD PRO A 84 -4.830 3.113 5.528 1.00 0.00 C ATOM 0 HA PRO A 84 -6.637 1.860 3.066 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -4.055 2.377 2.394 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -5.215 3.679 2.573 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -2.981 2.890 4.411 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -3.740 4.458 4.218 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -4.284 2.554 6.288 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -5.159 4.043 5.991 1.00 0.00 H new ATOM 1317 N ILE A 85 -5.250 -0.239 2.549 1.00 0.00 N ATOM 1318 CA ILE A 85 -4.719 -1.595 2.424 1.00 0.00 C ATOM 1319 C ILE A 85 -3.828 -1.675 1.192 1.00 0.00 C ATOM 1320 O ILE A 85 -4.035 -0.971 0.195 1.00 0.00 O ATOM 1321 CB ILE A 85 -5.822 -2.687 2.423 1.00 0.00 C ATOM 1322 CG1 ILE A 85 -6.604 -2.747 1.095 1.00 0.00 C ATOM 1323 CG2 ILE A 85 -6.791 -2.499 3.577 1.00 0.00 C ATOM 1324 CD1 ILE A 85 -6.086 -3.831 0.140 1.00 0.00 C ATOM 0 H ILE A 85 -5.639 0.136 1.684 1.00 0.00 H new ATOM 0 HA ILE A 85 -4.121 -1.805 3.311 1.00 0.00 H new ATOM 0 HB ILE A 85 -5.299 -3.636 2.544 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.657 -2.932 1.308 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -6.544 -1.777 0.601 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -7.550 -3.281 3.546 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -6.249 -2.557 4.521 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -7.271 -1.524 3.494 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.677 -3.822 -0.776 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -5.041 -3.635 -0.101 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.171 -4.807 0.617 1.00 0.00 H new ATOM 1336 N VAL A 86 -2.897 -2.617 1.231 1.00 0.00 N ATOM 1337 CA VAL A 86 -2.045 -3.001 0.117 1.00 0.00 C ATOM 1338 C VAL A 86 -2.077 -4.518 -0.037 1.00 0.00 C ATOM 1339 O VAL A 86 -2.839 -5.199 0.647 1.00 0.00 O ATOM 1340 CB VAL A 86 -0.625 -2.419 0.279 1.00 0.00 C ATOM 1341 CG1 VAL A 86 -0.684 -0.897 0.398 1.00 0.00 C ATOM 1342 CG2 VAL A 86 0.141 -3.017 1.465 1.00 0.00 C ATOM 0 H VAL A 86 -2.707 -3.157 2.076 1.00 0.00 H new ATOM 0 HA VAL A 86 -2.423 -2.575 -0.812 1.00 0.00 H new ATOM 0 HB VAL A 86 -0.072 -2.695 -0.619 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.325 -0.502 0.512 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -1.138 -0.479 -0.500 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.281 -0.623 1.268 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.131 -2.566 1.523 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.404 -2.817 2.388 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.240 -4.094 1.328 1.00 0.00 H new ATOM 1352 N TRP A 87 -1.255 -5.042 -0.941 1.00 0.00 N ATOM 1353 CA TRP A 87 -1.099 -6.458 -1.201 1.00 0.00 C ATOM 1354 C TRP A 87 0.359 -6.781 -0.859 1.00 0.00 C ATOM 1355 O TRP A 87 1.232 -6.060 -1.347 1.00 0.00 O ATOM 1356 CB TRP A 87 -1.495 -6.737 -2.663 1.00 0.00 C ATOM 1357 CG TRP A 87 -2.843 -6.215 -3.094 1.00 0.00 C ATOM 1358 CD1 TRP A 87 -3.068 -5.342 -4.103 1.00 0.00 C ATOM 1359 CD2 TRP A 87 -4.163 -6.486 -2.520 1.00 0.00 C ATOM 1360 NE1 TRP A 87 -4.423 -5.088 -4.217 1.00 0.00 N ATOM 1361 CE2 TRP A 87 -5.138 -5.737 -3.245 1.00 0.00 C ATOM 1362 CE3 TRP A 87 -4.645 -7.270 -1.452 1.00 0.00 C ATOM 1363 CZ2 TRP A 87 -6.506 -5.766 -2.944 1.00 0.00 C ATOM 1364 CZ3 TRP A 87 -6.017 -7.305 -1.140 1.00 0.00 C ATOM 1365 CH2 TRP A 87 -6.953 -6.567 -1.885 1.00 0.00 C ATOM 0 H TRP A 87 -0.658 -4.464 -1.533 1.00 0.00 H new ATOM 0 HA TRP A 87 -1.743 -7.101 -0.601 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -0.735 -6.304 -3.313 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -1.476 -7.815 -2.824 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -2.302 -4.907 -4.728 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -4.837 -4.493 -4.934 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -3.951 -7.853 -0.864 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -7.206 -5.179 -3.520 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -6.357 -7.910 -0.313 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -8.005 -6.617 -1.644 1.00 0.00 H new ATOM 1376 N HIS A 88 0.642 -7.813 -0.053 1.00 0.00 N ATOM 1377 CA HIS A 88 1.996 -8.285 0.246 1.00 0.00 C ATOM 1378 C HIS A 88 2.108 -9.787 -0.062 1.00 0.00 C ATOM 1379 O HIS A 88 1.402 -10.626 0.502 1.00 0.00 O ATOM 1380 CB HIS A 88 2.469 -7.903 1.660 1.00 0.00 C ATOM 1381 CG HIS A 88 2.032 -8.835 2.760 1.00 0.00 C ATOM 1382 ND1 HIS A 88 2.882 -9.714 3.380 1.00 0.00 N ATOM 1383 CD2 HIS A 88 0.765 -9.065 3.241 1.00 0.00 C ATOM 1384 CE1 HIS A 88 2.152 -10.527 4.142 1.00 0.00 C ATOM 1385 NE2 HIS A 88 0.847 -10.195 4.073 1.00 0.00 N ATOM 0 H HIS A 88 -0.083 -8.354 0.419 1.00 0.00 H new ATOM 0 HA HIS A 88 2.692 -7.765 -0.412 1.00 0.00 H new ATOM 0 HB2 HIS A 88 3.558 -7.853 1.660 1.00 0.00 H new ATOM 0 HB3 HIS A 88 2.104 -6.902 1.889 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -0.122 -8.489 3.022 1.00 0.00 H new ATOM 0 HE1 HIS A 88 2.550 -11.339 4.733 1.00 0.00 H new ATOM 0 HE2 HIS A 88 0.071 -10.671 4.534 1.00 0.00 H new ATOM 1393 N ILE A 89 2.965 -10.134 -1.018 1.00 0.00 N ATOM 1394 CA ILE A 89 3.220 -11.494 -1.470 1.00 0.00 C ATOM 1395 C ILE A 89 4.526 -11.893 -0.808 1.00 0.00 C ATOM 1396 O ILE A 89 5.564 -11.388 -1.203 1.00 0.00 O ATOM 1397 CB ILE A 89 3.300 -11.514 -3.022 1.00 0.00 C ATOM 1398 CG1 ILE A 89 1.876 -11.508 -3.616 1.00 0.00 C ATOM 1399 CG2 ILE A 89 4.141 -12.667 -3.621 1.00 0.00 C ATOM 1400 CD1 ILE A 89 1.832 -11.441 -5.148 1.00 0.00 C ATOM 0 H ILE A 89 3.524 -9.443 -1.519 1.00 0.00 H new ATOM 0 HA ILE A 89 2.432 -12.198 -1.201 1.00 0.00 H new ATOM 0 HB ILE A 89 3.836 -10.608 -3.304 1.00 0.00 H new ATOM 0 HG12 ILE A 89 1.354 -12.407 -3.288 1.00 0.00 H new ATOM 0 HG13 ILE A 89 1.329 -10.656 -3.211 1.00 0.00 H new ATOM 0 HG21 ILE A 89 4.136 -12.594 -4.709 1.00 0.00 H new ATOM 0 HG22 ILE A 89 5.166 -12.596 -3.258 1.00 0.00 H new ATOM 0 HG23 ILE A 89 3.714 -13.623 -3.319 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.795 -11.441 -5.483 1.00 0.00 H new ATOM 0 HD12 ILE A 89 2.322 -10.528 -5.487 1.00 0.00 H new ATOM 0 HD13 ILE A 89 2.348 -12.306 -5.565 1.00 0.00 H new ATOM 1412 N ASN A 90 4.522 -12.809 0.161 1.00 0.00 N ATOM 1413 CA ASN A 90 5.734 -13.427 0.716 1.00 0.00 C ATOM 1414 C ASN A 90 6.564 -12.351 1.402 1.00 0.00 C ATOM 1415 O ASN A 90 7.786 -12.308 1.298 1.00 0.00 O ATOM 1416 CB ASN A 90 6.556 -14.228 -0.321 1.00 0.00 C ATOM 1417 CG ASN A 90 5.821 -15.400 -0.942 1.00 0.00 C ATOM 1418 OD1 ASN A 90 4.687 -15.096 -1.524 1.00 0.00 O flip ATOM 1419 ND2 ASN A 90 6.234 -16.558 -0.912 1.00 0.00 N flip ATOM 0 H ASN A 90 3.663 -13.151 0.592 1.00 0.00 H new ATOM 0 HA ASN A 90 5.426 -14.174 1.448 1.00 0.00 H new ATOM 0 HB2 ASN A 90 6.871 -13.552 -1.116 1.00 0.00 H new ATOM 0 HB3 ASN A 90 7.461 -14.598 0.160 1.00 0.00 H new ATOM 0 HD21 ASN A 90 7.120 -16.772 -0.453 1.00 0.00 H new ATOM 0 HD22 ASN A 90 5.691 -17.305 -1.346 1.00 0.00 H new ATOM 1426 N GLN A 91 5.857 -11.428 2.062 1.00 0.00 N ATOM 1427 CA GLN A 91 6.413 -10.244 2.699 1.00 0.00 C ATOM 1428 C GLN A 91 7.063 -9.308 1.673 1.00 0.00 C ATOM 1429 O GLN A 91 7.802 -8.407 2.062 1.00 0.00 O ATOM 1430 CB GLN A 91 7.358 -10.659 3.844 1.00 0.00 C ATOM 1431 CG GLN A 91 6.826 -11.779 4.767 1.00 0.00 C ATOM 1432 CD GLN A 91 5.323 -11.827 4.992 1.00 0.00 C ATOM 1433 OE1 GLN A 91 4.772 -11.006 5.704 1.00 0.00 O ATOM 1434 NE2 GLN A 91 4.626 -12.791 4.422 1.00 0.00 N ATOM 0 H GLN A 91 4.845 -11.493 2.167 1.00 0.00 H new ATOM 0 HA GLN A 91 5.607 -9.662 3.147 1.00 0.00 H new ATOM 0 HB2 GLN A 91 8.304 -10.986 3.412 1.00 0.00 H new ATOM 0 HB3 GLN A 91 7.572 -9.780 4.453 1.00 0.00 H new ATOM 0 HG2 GLN A 91 7.138 -12.738 4.352 1.00 0.00 H new ATOM 0 HG3 GLN A 91 7.312 -11.678 5.738 1.00 0.00 H new ATOM 0 HE21 GLN A 91 5.093 -13.475 3.827 1.00 0.00 H new ATOM 0 HE22 GLN A 91 3.620 -12.852 4.576 1.00 0.00 H new ATOM 1443 N ALA A 92 6.799 -9.515 0.381 1.00 0.00 N ATOM 1444 CA ALA A 92 7.485 -8.895 -0.740 1.00 0.00 C ATOM 1445 C ALA A 92 6.461 -8.295 -1.699 1.00 0.00 C ATOM 1446 O ALA A 92 5.253 -8.416 -1.487 1.00 0.00 O ATOM 1447 CB ALA A 92 8.355 -9.948 -1.442 1.00 0.00 C ATOM 0 H ALA A 92 6.062 -10.153 0.080 1.00 0.00 H new ATOM 0 HA ALA A 92 8.130 -8.090 -0.388 1.00 0.00 H new ATOM 0 HB1 ALA A 92 8.873 -9.489 -2.284 1.00 0.00 H new ATOM 0 HB2 ALA A 92 9.087 -10.343 -0.738 1.00 0.00 H new ATOM 0 HB3 ALA A 92 7.724 -10.760 -1.803 1.00 0.00 H new ATOM 1453 N THR A 93 6.948 -7.639 -2.746 1.00 0.00 N ATOM 1454 CA THR A 93 6.147 -7.013 -3.779 1.00 0.00 C ATOM 1455 C THR A 93 6.777 -7.375 -5.121 1.00 0.00 C ATOM 1456 O THR A 93 7.996 -7.523 -5.218 1.00 0.00 O ATOM 1457 CB THR A 93 6.042 -5.514 -3.456 1.00 0.00 C ATOM 1458 OG1 THR A 93 5.102 -4.871 -4.288 1.00 0.00 O ATOM 1459 CG2 THR A 93 7.371 -4.732 -3.420 1.00 0.00 C ATOM 0 H THR A 93 7.950 -7.527 -2.900 1.00 0.00 H new ATOM 0 HA THR A 93 5.116 -7.365 -3.829 1.00 0.00 H new ATOM 0 HB THR A 93 5.692 -5.498 -2.424 1.00 0.00 H new ATOM 0 HG1 THR A 93 5.057 -3.920 -4.057 1.00 0.00 H new ATOM 0 HG21 THR A 93 7.172 -3.687 -3.183 1.00 0.00 H new ATOM 0 HG22 THR A 93 8.024 -5.159 -2.659 1.00 0.00 H new ATOM 0 HG23 THR A 93 7.858 -4.797 -4.393 1.00 0.00 H new ATOM 1467 N THR A 94 5.962 -7.619 -6.144 1.00 0.00 N ATOM 1468 CA THR A 94 6.426 -8.176 -7.409 1.00 0.00 C ATOM 1469 C THR A 94 5.715 -7.452 -8.553 1.00 0.00 C ATOM 1470 O THR A 94 4.829 -6.625 -8.322 1.00 0.00 O ATOM 1471 CB THR A 94 6.202 -9.706 -7.422 1.00 0.00 C ATOM 1472 OG1 THR A 94 4.835 -10.024 -7.598 1.00 0.00 O ATOM 1473 CG2 THR A 94 6.712 -10.425 -6.164 1.00 0.00 C ATOM 0 H THR A 94 4.959 -7.435 -6.118 1.00 0.00 H new ATOM 0 HA THR A 94 7.497 -8.021 -7.537 1.00 0.00 H new ATOM 0 HB THR A 94 6.791 -10.063 -8.267 1.00 0.00 H new ATOM 0 HG1 THR A 94 4.724 -10.998 -7.604 1.00 0.00 H new ATOM 0 HG21 THR A 94 6.517 -11.494 -6.252 1.00 0.00 H new ATOM 0 HG22 THR A 94 7.784 -10.259 -6.059 1.00 0.00 H new ATOM 0 HG23 THR A 94 6.197 -10.033 -5.287 1.00 0.00 H new ATOM 1481 N LYS A 95 6.025 -7.772 -9.815 1.00 0.00 N ATOM 1482 CA LYS A 95 5.333 -7.134 -10.940 1.00 0.00 C ATOM 1483 C LYS A 95 3.825 -7.426 -10.950 1.00 0.00 C ATOM 1484 O LYS A 95 3.072 -6.690 -11.592 1.00 0.00 O ATOM 1485 CB LYS A 95 6.023 -7.472 -12.262 1.00 0.00 C ATOM 1486 CG LYS A 95 7.362 -6.719 -12.305 1.00 0.00 C ATOM 1487 CD LYS A 95 7.973 -6.784 -13.697 1.00 0.00 C ATOM 1488 CE LYS A 95 9.218 -5.896 -13.789 1.00 0.00 C ATOM 1489 NZ LYS A 95 10.403 -6.479 -13.125 1.00 0.00 N ATOM 0 H LYS A 95 6.735 -8.454 -10.079 1.00 0.00 H new ATOM 0 HA LYS A 95 5.408 -6.055 -10.807 1.00 0.00 H new ATOM 0 HB2 LYS A 95 6.187 -8.547 -12.342 1.00 0.00 H new ATOM 0 HB3 LYS A 95 5.395 -7.182 -13.105 1.00 0.00 H new ATOM 0 HG2 LYS A 95 7.209 -5.679 -12.018 1.00 0.00 H new ATOM 0 HG3 LYS A 95 8.051 -7.151 -11.580 1.00 0.00 H new ATOM 0 HD2 LYS A 95 8.238 -7.814 -13.935 1.00 0.00 H new ATOM 0 HD3 LYS A 95 7.238 -6.465 -14.436 1.00 0.00 H new ATOM 0 HE2 LYS A 95 9.450 -5.716 -14.839 1.00 0.00 H new ATOM 0 HE3 LYS A 95 8.999 -4.927 -13.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 11.210 -5.830 -13.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 10.198 -6.627 -12.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 10.636 -7.391 -13.568 1.00 0.00 H new ATOM 1503 N THR A 96 3.368 -8.443 -10.218 1.00 0.00 N ATOM 1504 CA THR A 96 1.965 -8.789 -10.039 1.00 0.00 C ATOM 1505 C THR A 96 1.281 -7.925 -8.963 1.00 0.00 C ATOM 1506 O THR A 96 0.057 -7.779 -9.013 1.00 0.00 O ATOM 1507 CB THR A 96 1.927 -10.306 -9.771 1.00 0.00 C ATOM 1508 OG1 THR A 96 2.249 -10.927 -11.007 1.00 0.00 O ATOM 1509 CG2 THR A 96 0.613 -10.892 -9.250 1.00 0.00 C ATOM 0 H THR A 96 3.994 -9.071 -9.715 1.00 0.00 H new ATOM 0 HA THR A 96 1.377 -8.568 -10.930 1.00 0.00 H new ATOM 0 HB THR A 96 2.628 -10.496 -8.958 1.00 0.00 H new ATOM 0 HG1 THR A 96 2.242 -11.901 -10.896 1.00 0.00 H new ATOM 0 HG21 THR A 96 0.726 -11.966 -9.105 1.00 0.00 H new ATOM 0 HG22 THR A 96 0.357 -10.423 -8.300 1.00 0.00 H new ATOM 0 HG23 THR A 96 -0.181 -10.705 -9.973 1.00 0.00 H new ATOM 1517 N THR A 97 2.012 -7.268 -8.059 1.00 0.00 N ATOM 1518 CA THR A 97 1.432 -6.466 -6.978 1.00 0.00 C ATOM 1519 C THR A 97 1.922 -5.015 -6.999 1.00 0.00 C ATOM 1520 O THR A 97 1.379 -4.182 -6.281 1.00 0.00 O ATOM 1521 CB THR A 97 1.652 -7.155 -5.622 1.00 0.00 C ATOM 1522 OG1 THR A 97 2.961 -7.678 -5.532 1.00 0.00 O ATOM 1523 CG2 THR A 97 0.641 -8.288 -5.404 1.00 0.00 C ATOM 0 H THR A 97 3.032 -7.278 -8.056 1.00 0.00 H new ATOM 0 HA THR A 97 0.356 -6.406 -7.142 1.00 0.00 H new ATOM 0 HB THR A 97 1.510 -6.400 -4.849 1.00 0.00 H new ATOM 0 HG1 THR A 97 3.081 -8.111 -4.661 1.00 0.00 H new ATOM 0 HG21 THR A 97 0.822 -8.756 -4.436 1.00 0.00 H new ATOM 0 HG22 THR A 97 -0.371 -7.883 -5.427 1.00 0.00 H new ATOM 0 HG23 THR A 97 0.752 -9.032 -6.193 1.00 0.00 H new ATOM 1531 N PHE A 98 2.850 -4.685 -7.894 1.00 0.00 N ATOM 1532 CA PHE A 98 3.365 -3.358 -8.205 1.00 0.00 C ATOM 1533 C PHE A 98 2.233 -2.519 -8.788 1.00 0.00 C ATOM 1534 O PHE A 98 1.883 -1.478 -8.245 1.00 0.00 O ATOM 1535 CB PHE A 98 4.551 -3.536 -9.172 1.00 0.00 C ATOM 1536 CG PHE A 98 5.059 -2.319 -9.925 1.00 0.00 C ATOM 1537 CD1 PHE A 98 4.396 -1.870 -11.082 1.00 0.00 C ATOM 1538 CD2 PHE A 98 6.264 -1.704 -9.544 1.00 0.00 C ATOM 1539 CE1 PHE A 98 4.908 -0.801 -11.833 1.00 0.00 C ATOM 1540 CE2 PHE A 98 6.794 -0.649 -10.307 1.00 0.00 C ATOM 1541 CZ PHE A 98 6.113 -0.191 -11.449 1.00 0.00 C ATOM 0 H PHE A 98 3.297 -5.401 -8.467 1.00 0.00 H new ATOM 0 HA PHE A 98 3.726 -2.830 -7.322 1.00 0.00 H new ATOM 0 HB2 PHE A 98 5.385 -3.946 -8.602 1.00 0.00 H new ATOM 0 HB3 PHE A 98 4.268 -4.288 -9.909 1.00 0.00 H new ATOM 0 HD1 PHE A 98 3.483 -2.354 -11.396 1.00 0.00 H new ATOM 0 HD2 PHE A 98 6.785 -2.043 -8.661 1.00 0.00 H new ATOM 0 HE1 PHE A 98 4.376 -0.448 -12.704 1.00 0.00 H new ATOM 0 HE2 PHE A 98 7.727 -0.189 -10.015 1.00 0.00 H new ATOM 0 HZ PHE A 98 6.515 0.627 -12.028 1.00 0.00 H new ATOM 1551 N LYS A 99 1.610 -2.989 -9.874 1.00 0.00 N ATOM 1552 CA LYS A 99 0.563 -2.242 -10.567 1.00 0.00 C ATOM 1553 C LYS A 99 -0.633 -1.895 -9.678 1.00 0.00 C ATOM 1554 O LYS A 99 -1.073 -0.751 -9.751 1.00 0.00 O ATOM 1555 CB LYS A 99 0.100 -2.976 -11.825 1.00 0.00 C ATOM 1556 CG LYS A 99 1.031 -2.647 -13.004 1.00 0.00 C ATOM 1557 CD LYS A 99 0.367 -2.817 -14.371 1.00 0.00 C ATOM 1558 CE LYS A 99 0.211 -4.291 -14.756 1.00 0.00 C ATOM 1559 NZ LYS A 99 0.223 -4.501 -16.220 1.00 0.00 N ATOM 0 H LYS A 99 1.819 -3.895 -10.294 1.00 0.00 H new ATOM 0 HA LYS A 99 1.019 -1.295 -10.855 1.00 0.00 H new ATOM 0 HB2 LYS A 99 0.094 -4.051 -11.646 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -0.923 -2.687 -12.068 1.00 0.00 H new ATOM 0 HG2 LYS A 99 1.381 -1.620 -12.904 1.00 0.00 H new ATOM 0 HG3 LYS A 99 1.910 -3.290 -12.953 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -0.613 -2.340 -14.359 1.00 0.00 H new ATOM 0 HD3 LYS A 99 0.961 -2.306 -15.128 1.00 0.00 H new ATOM 0 HE2 LYS A 99 1.017 -4.868 -14.303 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -0.724 -4.673 -14.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 0.114 -5.515 -16.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -0.562 -3.973 -16.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 1.125 -4.163 -16.612 1.00 0.00 H new ATOM 1573 N PRO A 100 -1.191 -2.803 -8.857 1.00 0.00 N ATOM 1574 CA PRO A 100 -2.226 -2.383 -7.923 1.00 0.00 C ATOM 1575 C PRO A 100 -1.651 -1.468 -6.837 1.00 0.00 C ATOM 1576 O PRO A 100 -2.359 -0.581 -6.372 1.00 0.00 O ATOM 1577 CB PRO A 100 -2.824 -3.670 -7.359 1.00 0.00 C ATOM 1578 CG PRO A 100 -1.705 -4.693 -7.517 1.00 0.00 C ATOM 1579 CD PRO A 100 -0.977 -4.245 -8.784 1.00 0.00 C ATOM 0 HA PRO A 100 -2.999 -1.788 -8.409 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -3.113 -3.552 -6.315 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -3.718 -3.968 -7.906 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -1.040 -4.695 -6.653 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -2.099 -5.704 -7.618 1.00 0.00 H new ATOM 0 HD2 PRO A 100 0.085 -4.484 -8.733 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -1.375 -4.748 -9.666 1.00 0.00 H new ATOM 1587 N ASN A 101 -0.374 -1.616 -6.464 1.00 0.00 N ATOM 1588 CA ASN A 101 0.207 -0.811 -5.397 1.00 0.00 C ATOM 1589 C ASN A 101 0.267 0.660 -5.761 1.00 0.00 C ATOM 1590 O ASN A 101 0.145 1.499 -4.868 1.00 0.00 O ATOM 1591 CB ASN A 101 1.630 -1.257 -5.056 1.00 0.00 C ATOM 1592 CG ASN A 101 1.669 -1.888 -3.692 1.00 0.00 C ATOM 1593 OD1 ASN A 101 1.656 -1.182 -2.691 1.00 0.00 O ATOM 1594 ND2 ASN A 101 1.648 -3.209 -3.635 1.00 0.00 N ATOM 0 H ASN A 101 0.270 -2.285 -6.887 1.00 0.00 H new ATOM 0 HA ASN A 101 -0.448 -0.956 -4.538 1.00 0.00 H new ATOM 0 HB2 ASN A 101 1.984 -1.968 -5.803 1.00 0.00 H new ATOM 0 HB3 ASN A 101 2.304 -0.401 -5.087 1.00 0.00 H new ATOM 0 HD21 ASN A 101 1.620 -3.680 -2.731 1.00 0.00 H new ATOM 0 HD22 ASN A 101 1.660 -3.757 -4.495 1.00 0.00 H new ATOM 1601 N THR A 102 0.475 0.991 -7.040 1.00 0.00 N ATOM 1602 CA THR A 102 0.584 2.387 -7.445 1.00 0.00 C ATOM 1603 C THR A 102 -0.684 3.157 -7.037 1.00 0.00 C ATOM 1604 O THR A 102 -0.608 4.292 -6.575 1.00 0.00 O ATOM 1605 CB THR A 102 0.966 2.533 -8.937 1.00 0.00 C ATOM 1606 OG1 THR A 102 -0.160 2.680 -9.782 1.00 0.00 O ATOM 1607 CG2 THR A 102 1.780 1.379 -9.523 1.00 0.00 C ATOM 0 H THR A 102 0.570 0.317 -7.800 1.00 0.00 H new ATOM 0 HA THR A 102 1.413 2.849 -6.909 1.00 0.00 H new ATOM 0 HB THR A 102 1.582 3.432 -8.918 1.00 0.00 H new ATOM 0 HG1 THR A 102 0.138 2.770 -10.711 1.00 0.00 H new ATOM 0 HG21 THR A 102 1.994 1.581 -10.572 1.00 0.00 H new ATOM 0 HG22 THR A 102 2.716 1.279 -8.974 1.00 0.00 H new ATOM 0 HG23 THR A 102 1.210 0.453 -9.441 1.00 0.00 H new ATOM 1615 N TRP A 103 -1.852 2.514 -7.107 1.00 0.00 N ATOM 1616 CA TRP A 103 -3.135 3.075 -6.720 1.00 0.00 C ATOM 1617 C TRP A 103 -3.274 3.275 -5.201 1.00 0.00 C ATOM 1618 O TRP A 103 -4.062 4.125 -4.785 1.00 0.00 O ATOM 1619 CB TRP A 103 -4.235 2.152 -7.249 1.00 0.00 C ATOM 1620 CG TRP A 103 -4.457 2.147 -8.735 1.00 0.00 C ATOM 1621 CD1 TRP A 103 -3.893 1.313 -9.639 1.00 0.00 C ATOM 1622 CD2 TRP A 103 -5.386 2.971 -9.495 1.00 0.00 C ATOM 1623 NE1 TRP A 103 -4.451 1.535 -10.887 1.00 0.00 N ATOM 1624 CE2 TRP A 103 -5.428 2.508 -10.839 1.00 0.00 C ATOM 1625 CE3 TRP A 103 -6.255 4.020 -9.149 1.00 0.00 C ATOM 1626 CZ2 TRP A 103 -6.355 3.011 -11.767 1.00 0.00 C ATOM 1627 CZ3 TRP A 103 -7.165 4.561 -10.076 1.00 0.00 C ATOM 1628 CH2 TRP A 103 -7.232 4.038 -11.377 1.00 0.00 C ATOM 0 H TRP A 103 -1.926 1.555 -7.447 1.00 0.00 H new ATOM 0 HA TRP A 103 -3.221 4.071 -7.155 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -4.004 1.134 -6.936 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -5.172 2.429 -6.766 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -3.125 0.586 -9.421 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -4.174 1.041 -11.735 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -6.224 4.421 -8.147 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -6.393 2.613 -12.770 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -7.811 5.377 -9.787 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -7.957 4.425 -12.078 1.00 0.00 H new ATOM 1639 N CYS A 104 -2.519 2.551 -4.364 1.00 0.00 N ATOM 1640 CA CYS A 104 -2.364 2.899 -2.950 1.00 0.00 C ATOM 1641 C CYS A 104 -1.477 4.124 -2.819 1.00 0.00 C ATOM 1642 O CYS A 104 -1.840 5.024 -2.069 1.00 0.00 O ATOM 1643 CB CYS A 104 -1.829 1.722 -2.128 1.00 0.00 C ATOM 1644 SG CYS A 104 -1.241 2.271 -0.493 1.00 0.00 S ATOM 0 H CYS A 104 -2.004 1.717 -4.646 1.00 0.00 H new ATOM 0 HA CYS A 104 -3.347 3.135 -2.543 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -2.614 0.976 -2.003 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -1.014 1.240 -2.667 1.00 0.00 H new ATOM 0 HG CYS A 104 -0.048 1.800 -0.280 1.00 0.00 H new ATOM 1650 N LEU A 105 -0.364 4.210 -3.561 1.00 0.00 N ATOM 1651 CA LEU A 105 0.498 5.387 -3.474 1.00 0.00 C ATOM 1652 C LEU A 105 -0.359 6.614 -3.770 1.00 0.00 C ATOM 1653 O LEU A 105 -0.329 7.571 -3.009 1.00 0.00 O ATOM 1654 CB LEU A 105 1.731 5.285 -4.397 1.00 0.00 C ATOM 1655 CG LEU A 105 2.634 4.069 -4.119 1.00 0.00 C ATOM 1656 CD1 LEU A 105 3.739 3.995 -5.174 1.00 0.00 C ATOM 1657 CD2 LEU A 105 3.237 4.125 -2.713 1.00 0.00 C ATOM 0 H LEU A 105 -0.048 3.493 -4.214 1.00 0.00 H new ATOM 0 HA LEU A 105 0.914 5.466 -2.470 1.00 0.00 H new ATOM 0 HB2 LEU A 105 1.392 5.242 -5.432 1.00 0.00 H new ATOM 0 HB3 LEU A 105 2.324 6.194 -4.293 1.00 0.00 H new ATOM 0 HG LEU A 105 2.021 3.169 -4.175 1.00 0.00 H new ATOM 0 HD11 LEU A 105 4.376 3.133 -4.974 1.00 0.00 H new ATOM 0 HD12 LEU A 105 3.292 3.894 -6.163 1.00 0.00 H new ATOM 0 HD13 LEU A 105 4.338 4.905 -5.138 1.00 0.00 H new ATOM 0 HD21 LEU A 105 3.868 3.251 -2.553 1.00 0.00 H new ATOM 0 HD22 LEU A 105 3.837 5.029 -2.610 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.436 4.135 -1.974 1.00 0.00 H new ATOM 1669 N ARG A 106 -1.229 6.540 -4.781 1.00 0.00 N ATOM 1670 CA ARG A 106 -2.145 7.624 -5.125 1.00 0.00 C ATOM 1671 C ARG A 106 -3.202 7.960 -4.056 1.00 0.00 C ATOM 1672 O ARG A 106 -3.784 9.041 -4.157 1.00 0.00 O ATOM 1673 CB ARG A 106 -2.816 7.310 -6.472 1.00 0.00 C ATOM 1674 CG ARG A 106 -1.793 7.299 -7.605 1.00 0.00 C ATOM 1675 CD ARG A 106 -2.424 7.375 -9.003 1.00 0.00 C ATOM 1676 NE ARG A 106 -1.732 8.396 -9.807 1.00 0.00 N ATOM 1677 CZ ARG A 106 -2.025 8.821 -11.041 1.00 0.00 C ATOM 1678 NH1 ARG A 106 -2.998 8.236 -11.729 1.00 0.00 N ATOM 1679 NH2 ARG A 106 -1.338 9.827 -11.574 1.00 0.00 N ATOM 0 H ARG A 106 -1.316 5.722 -5.384 1.00 0.00 H new ATOM 0 HA ARG A 106 -1.533 8.524 -5.191 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -3.313 6.342 -6.417 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -3.586 8.053 -6.680 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -1.112 8.140 -7.477 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -1.195 6.391 -7.534 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -2.358 6.405 -9.495 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -3.483 7.619 -8.921 1.00 0.00 H new ATOM 0 HE ARG A 106 -0.925 8.836 -9.366 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -3.521 7.464 -11.317 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -3.223 8.559 -12.670 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -0.590 10.272 -11.042 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -1.559 10.153 -12.515 1.00 0.00 H new ATOM 1693 N CYS A 107 -3.478 7.093 -3.073 1.00 0.00 N ATOM 1694 CA CYS A 107 -4.269 7.430 -1.885 1.00 0.00 C ATOM 1695 C CYS A 107 -3.392 8.076 -0.797 1.00 0.00 C ATOM 1696 O CYS A 107 -3.892 8.928 -0.060 1.00 0.00 O ATOM 1697 CB CYS A 107 -4.992 6.187 -1.317 1.00 0.00 C ATOM 1698 SG CYS A 107 -6.617 5.918 -2.064 1.00 0.00 S ATOM 0 H CYS A 107 -3.154 6.126 -3.082 1.00 0.00 H new ATOM 0 HA CYS A 107 -5.024 8.153 -2.196 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -4.372 5.306 -1.480 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -5.107 6.300 -0.239 1.00 0.00 H new ATOM 0 HG CYS A 107 -7.300 7.024 -2.027 1.00 0.00 H new ATOM 1704 N LEU A 108 -2.108 7.708 -0.697 1.00 0.00 N ATOM 1705 CA LEU A 108 -1.157 8.322 0.234 1.00 0.00 C ATOM 1706 C LEU A 108 -0.710 9.718 -0.213 1.00 0.00 C ATOM 1707 O LEU A 108 -0.173 10.466 0.605 1.00 0.00 O ATOM 1708 CB LEU A 108 0.108 7.461 0.396 1.00 0.00 C ATOM 1709 CG LEU A 108 -0.085 6.037 0.935 1.00 0.00 C ATOM 1710 CD1 LEU A 108 1.287 5.363 1.010 1.00 0.00 C ATOM 1711 CD2 LEU A 108 -0.731 6.006 2.318 1.00 0.00 C ATOM 0 H LEU A 108 -1.698 6.968 -1.267 1.00 0.00 H new ATOM 0 HA LEU A 108 -1.692 8.400 1.180 1.00 0.00 H new ATOM 0 HB2 LEU A 108 0.598 7.392 -0.575 1.00 0.00 H new ATOM 0 HB3 LEU A 108 0.793 7.986 1.062 1.00 0.00 H new ATOM 0 HG LEU A 108 -0.758 5.512 0.257 1.00 0.00 H new ATOM 0 HD11 LEU A 108 1.173 4.348 1.391 1.00 0.00 H new ATOM 0 HD12 LEU A 108 1.731 5.329 0.015 1.00 0.00 H new ATOM 0 HD13 LEU A 108 1.935 5.931 1.677 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -0.841 4.972 2.645 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -0.102 6.545 3.026 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -1.712 6.478 2.272 1.00 0.00 H new ATOM 1723 N TRP A 109 -0.871 10.072 -1.493 1.00 0.00 N ATOM 1724 CA TRP A 109 -0.522 11.370 -2.039 1.00 0.00 C ATOM 1725 C TRP A 109 -1.320 12.470 -1.337 1.00 0.00 C ATOM 1726 O TRP A 109 -2.310 12.207 -0.653 1.00 0.00 O ATOM 1727 CB TRP A 109 -0.737 11.323 -3.559 1.00 0.00 C ATOM 1728 CG TRP A 109 0.229 10.499 -4.362 1.00 0.00 C ATOM 1729 CD1 TRP A 109 1.231 9.732 -3.878 1.00 0.00 C ATOM 1730 CD2 TRP A 109 0.276 10.327 -5.809 1.00 0.00 C ATOM 1731 NE1 TRP A 109 1.852 9.061 -4.908 1.00 0.00 N ATOM 1732 CE2 TRP A 109 1.312 9.400 -6.123 1.00 0.00 C ATOM 1733 CE3 TRP A 109 -0.470 10.838 -6.888 1.00 0.00 C ATOM 1734 CZ2 TRP A 109 1.598 9.006 -7.435 1.00 0.00 C ATOM 1735 CZ3 TRP A 109 -0.162 10.490 -8.215 1.00 0.00 C ATOM 1736 CH2 TRP A 109 0.865 9.564 -8.491 1.00 0.00 C ATOM 0 H TRP A 109 -1.260 9.438 -2.191 1.00 0.00 H new ATOM 0 HA TRP A 109 0.526 11.609 -1.860 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -1.742 10.945 -3.747 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -0.705 12.345 -3.937 1.00 0.00 H new ATOM 0 HD1 TRP A 109 1.505 9.656 -2.836 1.00 0.00 H new ATOM 0 HE1 TRP A 109 2.616 8.397 -4.784 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -1.293 11.509 -6.693 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 2.374 8.281 -7.631 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -0.716 10.935 -9.028 1.00 0.00 H new ATOM 0 HH2 TRP A 109 1.086 9.286 -9.511 1.00 0.00 H new ATOM 1747 N SER A 110 -0.880 13.711 -1.510 1.00 0.00 N ATOM 1748 CA SER A 110 -1.394 14.878 -0.815 1.00 0.00 C ATOM 1749 C SER A 110 -1.805 15.889 -1.880 1.00 0.00 C ATOM 1750 O SER A 110 -1.196 15.938 -2.948 1.00 0.00 O ATOM 1751 CB SER A 110 -0.280 15.386 0.107 1.00 0.00 C ATOM 1752 OG SER A 110 -0.776 16.188 1.160 1.00 0.00 O ATOM 0 H SER A 110 -0.129 13.937 -2.162 1.00 0.00 H new ATOM 0 HA SER A 110 -2.267 14.673 -0.196 1.00 0.00 H new ATOM 0 HB2 SER A 110 0.259 14.535 0.525 1.00 0.00 H new ATOM 0 HB3 SER A 110 0.438 15.962 -0.478 1.00 0.00 H new ATOM 0 HG SER A 110 -0.031 16.487 1.722 1.00 0.00 H new ATOM 1758 N THR A 111 -2.851 16.668 -1.636 1.00 0.00 N ATOM 1759 CA THR A 111 -3.395 17.601 -2.614 1.00 0.00 C ATOM 1760 C THR A 111 -2.505 18.841 -2.660 1.00 0.00 C ATOM 1761 O THR A 111 -2.691 19.767 -1.866 1.00 0.00 O ATOM 1762 CB THR A 111 -4.874 17.850 -2.285 1.00 0.00 C ATOM 1763 OG1 THR A 111 -4.984 18.304 -0.945 1.00 0.00 O ATOM 1764 CG2 THR A 111 -5.647 16.531 -2.455 1.00 0.00 C ATOM 0 H THR A 111 -3.350 16.670 -0.746 1.00 0.00 H new ATOM 0 HA THR A 111 -3.387 17.205 -3.629 1.00 0.00 H new ATOM 0 HB THR A 111 -5.288 18.605 -2.954 1.00 0.00 H new ATOM 0 HG1 THR A 111 -4.290 18.972 -0.768 1.00 0.00 H new ATOM 0 HG21 THR A 111 -6.700 16.694 -2.224 1.00 0.00 H new ATOM 0 HG22 THR A 111 -5.551 16.183 -3.483 1.00 0.00 H new ATOM 0 HG23 THR A 111 -5.239 15.780 -1.778 1.00 0.00 H new ATOM 1772 N LYS A 112 -1.508 18.834 -3.544 1.00 0.00 N ATOM 1773 CA LYS A 112 -0.562 19.916 -3.756 1.00 0.00 C ATOM 1774 C LYS A 112 -0.624 20.262 -5.242 1.00 0.00 C ATOM 1775 O LYS A 112 -0.062 19.515 -6.048 1.00 0.00 O ATOM 1776 CB LYS A 112 0.847 19.504 -3.301 1.00 0.00 C ATOM 1777 CG LYS A 112 1.246 20.189 -1.992 1.00 0.00 C ATOM 1778 CD LYS A 112 1.672 21.655 -2.203 1.00 0.00 C ATOM 1779 CE LYS A 112 3.197 21.830 -2.141 1.00 0.00 C ATOM 1780 NZ LYS A 112 3.887 21.608 -3.427 1.00 0.00 N ATOM 0 H LYS A 112 -1.335 18.037 -4.156 1.00 0.00 H new ATOM 0 HA LYS A 112 -0.814 20.795 -3.162 1.00 0.00 H new ATOM 0 HB2 LYS A 112 0.885 18.422 -3.171 1.00 0.00 H new ATOM 0 HB3 LYS A 112 1.568 19.757 -4.078 1.00 0.00 H new ATOM 0 HG2 LYS A 112 0.408 20.154 -1.296 1.00 0.00 H new ATOM 0 HG3 LYS A 112 2.066 19.638 -1.532 1.00 0.00 H new ATOM 0 HD2 LYS A 112 1.307 22.002 -3.170 1.00 0.00 H new ATOM 0 HD3 LYS A 112 1.205 22.281 -1.442 1.00 0.00 H new ATOM 0 HE2 LYS A 112 3.421 22.838 -1.791 1.00 0.00 H new ATOM 0 HE3 LYS A 112 3.601 21.138 -1.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 4.910 21.745 -3.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 3.706 20.638 -3.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 3.532 22.284 -4.133 1.00 0.00 H new ATOM 1794 N PRO A 113 -1.331 21.338 -5.611 1.00 0.00 N ATOM 1795 CA PRO A 113 -1.483 21.755 -6.988 1.00 0.00 C ATOM 1796 C PRO A 113 -0.280 22.589 -7.406 1.00 0.00 C ATOM 1797 O PRO A 113 -0.234 23.807 -7.204 1.00 0.00 O ATOM 1798 CB PRO A 113 -2.784 22.539 -7.008 1.00 0.00 C ATOM 1799 CG PRO A 113 -2.826 23.197 -5.623 1.00 0.00 C ATOM 1800 CD PRO A 113 -2.108 22.193 -4.729 1.00 0.00 C ATOM 0 HA PRO A 113 -1.524 20.928 -7.696 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -2.793 23.282 -7.806 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -3.643 21.888 -7.169 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -2.324 24.165 -5.623 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -3.850 23.369 -5.291 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -1.462 22.703 -4.014 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -2.823 21.607 -4.151 1.00 0.00 H new ATOM 1808 N VAL A 114 0.686 21.918 -8.006 1.00 0.00 N ATOM 1809 CA VAL A 114 1.818 22.528 -8.682 1.00 0.00 C ATOM 1810 C VAL A 114 2.153 21.576 -9.819 1.00 0.00 C ATOM 1811 O VAL A 114 2.957 20.656 -9.692 1.00 0.00 O ATOM 1812 CB VAL A 114 2.956 22.883 -7.693 1.00 0.00 C ATOM 1813 CG1 VAL A 114 3.454 21.717 -6.825 1.00 0.00 C ATOM 1814 CG2 VAL A 114 4.140 23.552 -8.405 1.00 0.00 C ATOM 0 H VAL A 114 0.705 20.899 -8.038 1.00 0.00 H new ATOM 0 HA VAL A 114 1.607 23.508 -9.109 1.00 0.00 H new ATOM 0 HB VAL A 114 2.494 23.590 -7.004 1.00 0.00 H new ATOM 0 HG11 VAL A 114 4.250 22.067 -6.167 1.00 0.00 H new ATOM 0 HG12 VAL A 114 2.630 21.332 -6.225 1.00 0.00 H new ATOM 0 HG13 VAL A 114 3.837 20.923 -7.467 1.00 0.00 H new ATOM 0 HG21 VAL A 114 4.917 23.786 -7.677 1.00 0.00 H new ATOM 0 HG22 VAL A 114 4.541 22.875 -9.159 1.00 0.00 H new ATOM 0 HG23 VAL A 114 3.804 24.471 -8.885 1.00 0.00 H new ATOM 1824 N ASP A 115 1.427 21.705 -10.923 1.00 0.00 N ATOM 1825 CA ASP A 115 1.598 20.859 -12.101 1.00 0.00 C ATOM 1826 C ASP A 115 2.756 21.393 -12.952 1.00 0.00 C ATOM 1827 O ASP A 115 2.598 21.669 -14.143 1.00 0.00 O ATOM 1828 CB ASP A 115 0.273 20.778 -12.868 1.00 0.00 C ATOM 1829 CG ASP A 115 0.382 19.859 -14.085 1.00 0.00 C ATOM 1830 OD1 ASP A 115 0.737 18.671 -13.900 1.00 0.00 O ATOM 1831 OD2 ASP A 115 0.109 20.321 -15.209 1.00 0.00 O ATOM 0 H ASP A 115 0.695 22.407 -11.028 1.00 0.00 H new ATOM 0 HA ASP A 115 1.861 19.841 -11.812 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -0.510 20.412 -12.204 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -0.023 21.776 -13.191 1.00 0.00 H new ATOM 1836 N THR A 116 3.917 21.633 -12.343 1.00 0.00 N ATOM 1837 CA THR A 116 5.182 22.063 -12.933 1.00 0.00 C ATOM 1838 C THR A 116 6.275 21.672 -11.924 1.00 0.00 C ATOM 1839 O THR A 116 7.476 21.854 -12.210 1.00 0.00 O ATOM 1840 CB THR A 116 5.112 23.577 -13.255 1.00 0.00 C ATOM 1841 OG1 THR A 116 4.107 23.782 -14.233 1.00 0.00 O ATOM 1842 CG2 THR A 116 6.367 24.184 -13.875 1.00 0.00 C ATOM 0 H THR A 116 4.002 21.521 -11.333 1.00 0.00 H new ATOM 0 HA THR A 116 5.406 21.584 -13.886 1.00 0.00 H new ATOM 0 HB THR A 116 4.939 24.050 -12.288 1.00 0.00 H new ATOM 0 HG1 THR A 116 3.741 22.917 -14.512 1.00 0.00 H new ATOM 0 HG21 THR A 116 6.205 25.246 -14.058 1.00 0.00 H new ATOM 0 HG22 THR A 116 7.208 24.057 -13.193 1.00 0.00 H new ATOM 0 HG23 THR A 116 6.586 23.683 -14.818 1.00 0.00 H new TER 1850 THR A 116