USER MOD reduce.3.24.130724 H: found=0, std=0, add=762, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 762 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 77 GLN : amide:sc= -2.57 K(o=-3.3,f=-4.4!) USER MOD Set 1.2: A 80 THR OG1 : rot 4:sc= -0.776 USER MOD Set 2.1: A 45 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 61 LYS NZ :NH3+ 147:sc= 0.0221 (180deg=0) USER MOD Set 3.1: A 39 THR OG1 : rot 180:sc= -0.137 USER MOD Set 3.2: A 42 HIS : no HE2:sc= -2.1 X(o=-6,f=-6.5!) USER MOD Set 3.3: A 90 ASN : amide:sc= -3.72! C(o=-6!,f=-11!) USER MOD Set 4.1: A 31 TYR OH : rot 180:sc= -3.32! USER MOD Set 4.2: A 36 ASN : amide:sc= -5.07! C(o=-8.4!,f=-16!) USER MOD Set 5.1: A 26 MET CE :methyl 150:sc= -3.06 (180deg=-4.47!) USER MOD Set 5.2: A 28 LYS NZ :NH3+ 173:sc= -0.655 (180deg=-0.162) USER MOD Set 6.1: A 17 THR OG1 : rot 130:sc= -0.0333 USER MOD Set 6.2: A 101 MET CE :methyl -131:sc= -0.114 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -2.14 K(o=-2.1,f=-5.4!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.416 USER MOD Single : A 30 MET CE :methyl -131:sc= -0.861 (180deg=-2.27!) USER MOD Single : A 35 SER OG : rot 53:sc= 0.199 USER MOD Single : A 37 ASN :FLIP amide:sc= -0.809 F(o=-1.4,f=-0.81) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.573 USER MOD Single : A 48 TYR OH : rot -62:sc= 0.48 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -40:sc= 1.07 USER MOD Single : A 55 ASN : amide:sc= -0.455 K(o=-0.45,f=-6.1!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 158:sc= 0.0548 (180deg=-0.151) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 130:sc= -0.326 USER MOD Single : A 71 HIS : no HD1:sc= -0.652 X(o=-0.65,f=-0.3) USER MOD Single : A 72 SER OG : rot 42:sc= 0.838 USER MOD Single : A 74 SER OG : rot 180:sc= -0.108 USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot -176:sc= -6.34! USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 MET CE :methyl -121:sc= -0.626 (180deg=-3.21) USER MOD Single : A 87 GLN : amide:sc= -3.54! C(o=-3.5!,f=-3.9!) USER MOD Single : A 88 CYS SG : rot 180:sc= -1.51 USER MOD Single : A 95 SER OG : rot 131:sc= -0.514! USER MOD Single : A 98 SER OG : rot 156:sc= 0.638 USER MOD Single : A 99 ASN : amide:sc= -0.736 K(o=-0.74,f=-5.8!) USER MOD Single : A 103 CYS SG : rot -100:sc= -0.917 USER MOD Single : A 105 THR OG1 : rot -167:sc= 2.3 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 11.626 11.529 -5.844 1.00 0.00 N ATOM 67 CA PRO A 8 11.951 10.636 -4.727 1.00 0.00 C ATOM 68 C PRO A 8 12.179 9.199 -5.181 1.00 0.00 C ATOM 69 O PRO A 8 11.454 8.683 -6.032 1.00 0.00 O ATOM 70 CB PRO A 8 10.712 10.724 -3.832 1.00 0.00 C ATOM 71 CG PRO A 8 9.605 11.105 -4.754 1.00 0.00 C ATOM 72 CD PRO A 8 10.225 11.981 -5.806 1.00 0.00 C ATOM 0 HA PRO A 8 12.876 10.926 -4.229 1.00 0.00 H new ATOM 0 HB2 PRO A 8 10.509 9.772 -3.342 1.00 0.00 H new ATOM 0 HB3 PRO A 8 10.844 11.466 -3.044 1.00 0.00 H new ATOM 0 HG2 PRO A 8 9.148 10.222 -5.201 1.00 0.00 H new ATOM 0 HG3 PRO A 8 8.817 11.635 -4.219 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.736 11.856 -6.772 1.00 0.00 H new ATOM 0 HD3 PRO A 8 10.150 13.037 -5.545 1.00 0.00 H new ATOM 80 N VAL A 9 13.192 8.556 -4.608 1.00 0.00 N ATOM 81 CA VAL A 9 13.515 7.177 -4.953 1.00 0.00 C ATOM 82 C VAL A 9 13.513 6.286 -3.716 1.00 0.00 C ATOM 83 O VAL A 9 13.025 5.157 -3.752 1.00 0.00 O ATOM 84 CB VAL A 9 14.889 7.078 -5.641 1.00 0.00 C ATOM 85 CG1 VAL A 9 14.858 7.764 -6.999 1.00 0.00 C ATOM 86 CG2 VAL A 9 15.972 7.677 -4.757 1.00 0.00 C ATOM 0 H VAL A 9 13.803 8.968 -3.903 1.00 0.00 H new ATOM 0 HA VAL A 9 12.745 6.835 -5.645 1.00 0.00 H new ATOM 0 HB VAL A 9 15.121 6.025 -5.798 1.00 0.00 H new ATOM 0 HG11 VAL A 9 15.838 7.684 -7.470 1.00 0.00 H new ATOM 0 HG12 VAL A 9 14.111 7.285 -7.632 1.00 0.00 H new ATOM 0 HG13 VAL A 9 14.603 8.816 -6.870 1.00 0.00 H new ATOM 0 HG21 VAL A 9 16.936 7.598 -5.259 1.00 0.00 H new ATOM 0 HG22 VAL A 9 15.747 8.726 -4.566 1.00 0.00 H new ATOM 0 HG23 VAL A 9 16.010 7.136 -3.811 1.00 0.00 H new ATOM 96 N ALA A 10 14.063 6.802 -2.621 1.00 0.00 N ATOM 97 CA ALA A 10 14.122 6.054 -1.371 1.00 0.00 C ATOM 98 C ALA A 10 12.886 5.179 -1.196 1.00 0.00 C ATOM 99 O ALA A 10 12.965 4.077 -0.653 1.00 0.00 O ATOM 100 CB ALA A 10 14.268 7.006 -0.193 1.00 0.00 C ATOM 0 H ALA A 10 14.474 7.734 -2.575 1.00 0.00 H new ATOM 0 HA ALA A 10 14.994 5.402 -1.407 1.00 0.00 H new ATOM 0 HB1 ALA A 10 14.311 6.434 0.734 1.00 0.00 H new ATOM 0 HB2 ALA A 10 15.185 7.585 -0.305 1.00 0.00 H new ATOM 0 HB3 ALA A 10 13.413 7.682 -0.163 1.00 0.00 H new ATOM 106 N GLY A 11 11.743 5.677 -1.659 1.00 0.00 N ATOM 107 CA GLY A 11 10.506 4.927 -1.543 1.00 0.00 C ATOM 108 C GLY A 11 10.157 4.604 -0.103 1.00 0.00 C ATOM 109 O GLY A 11 11.030 4.376 0.734 1.00 0.00 O ATOM 0 H GLY A 11 11.652 6.586 -2.112 1.00 0.00 H new ATOM 0 HA2 GLY A 11 9.694 5.500 -1.991 1.00 0.00 H new ATOM 0 HA3 GLY A 11 10.592 4.000 -2.110 1.00 0.00 H new ATOM 113 N PRO A 12 8.851 4.582 0.202 1.00 0.00 N ATOM 114 CA PRO A 12 8.359 4.287 1.551 1.00 0.00 C ATOM 115 C PRO A 12 8.574 2.829 1.941 1.00 0.00 C ATOM 116 O PRO A 12 8.816 1.977 1.086 1.00 0.00 O ATOM 117 CB PRO A 12 6.863 4.601 1.459 1.00 0.00 C ATOM 118 CG PRO A 12 6.528 4.428 0.018 1.00 0.00 C ATOM 119 CD PRO A 12 7.755 4.844 -0.745 1.00 0.00 C ATOM 0 HA PRO A 12 8.884 4.865 2.312 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.278 3.927 2.085 1.00 0.00 H new ATOM 0 HB3 PRO A 12 6.650 5.615 1.796 1.00 0.00 H new ATOM 0 HG2 PRO A 12 6.265 3.393 -0.200 1.00 0.00 H new ATOM 0 HG3 PRO A 12 5.670 5.040 -0.259 1.00 0.00 H new ATOM 0 HD2 PRO A 12 7.871 4.269 -1.663 1.00 0.00 H new ATOM 0 HD3 PRO A 12 7.713 5.895 -1.031 1.00 0.00 H new ATOM 127 N TYR A 13 8.484 2.548 3.236 1.00 0.00 N ATOM 128 CA TYR A 13 8.671 1.192 3.739 1.00 0.00 C ATOM 129 C TYR A 13 7.553 0.809 4.703 1.00 0.00 C ATOM 130 O TYR A 13 7.314 1.495 5.698 1.00 0.00 O ATOM 131 CB TYR A 13 10.026 1.067 4.437 1.00 0.00 C ATOM 132 CG TYR A 13 10.137 -0.146 5.332 1.00 0.00 C ATOM 133 CD1 TYR A 13 10.107 -1.430 4.801 1.00 0.00 C ATOM 134 CD2 TYR A 13 10.270 -0.010 6.708 1.00 0.00 C ATOM 135 CE1 TYR A 13 10.207 -2.542 5.615 1.00 0.00 C ATOM 136 CE2 TYR A 13 10.372 -1.116 7.529 1.00 0.00 C ATOM 137 CZ TYR A 13 10.340 -2.380 6.978 1.00 0.00 C ATOM 138 OH TYR A 13 10.440 -3.485 7.793 1.00 0.00 O ATOM 0 H TYR A 13 8.283 3.241 3.957 1.00 0.00 H new ATOM 0 HA TYR A 13 8.643 0.510 2.889 1.00 0.00 H new ATOM 0 HB2 TYR A 13 10.811 1.024 3.682 1.00 0.00 H new ATOM 0 HB3 TYR A 13 10.203 1.964 5.031 1.00 0.00 H new ATOM 0 HD1 TYR A 13 10.004 -1.561 3.734 1.00 0.00 H new ATOM 0 HD2 TYR A 13 10.294 0.978 7.144 1.00 0.00 H new ATOM 0 HE1 TYR A 13 10.181 -3.533 5.186 1.00 0.00 H new ATOM 0 HE2 TYR A 13 10.476 -0.992 8.597 1.00 0.00 H new ATOM 0 HH TYR A 13 10.529 -3.197 8.725 1.00 0.00 H new ATOM 148 N ILE A 14 6.871 -0.291 4.401 1.00 0.00 N ATOM 149 CA ILE A 14 5.779 -0.766 5.240 1.00 0.00 C ATOM 150 C ILE A 14 6.308 -1.450 6.496 1.00 0.00 C ATOM 151 O ILE A 14 7.114 -2.378 6.419 1.00 0.00 O ATOM 152 CB ILE A 14 4.870 -1.750 4.478 1.00 0.00 C ATOM 153 CG1 ILE A 14 4.409 -1.133 3.157 1.00 0.00 C ATOM 154 CG2 ILE A 14 3.673 -2.137 5.334 1.00 0.00 C ATOM 155 CD1 ILE A 14 3.903 -2.150 2.158 1.00 0.00 C ATOM 0 H ILE A 14 7.056 -0.869 3.581 1.00 0.00 H new ATOM 0 HA ILE A 14 5.196 0.110 5.524 1.00 0.00 H new ATOM 0 HB ILE A 14 5.441 -2.652 4.257 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.618 -0.410 3.359 1.00 0.00 H new ATOM 0 HG13 ILE A 14 5.239 -0.582 2.714 1.00 0.00 H new ATOM 0 HG21 ILE A 14 3.041 -2.832 4.782 1.00 0.00 H new ATOM 0 HG22 ILE A 14 4.020 -2.612 6.251 1.00 0.00 H new ATOM 0 HG23 ILE A 14 3.100 -1.244 5.583 1.00 0.00 H new ATOM 0 HD11 ILE A 14 3.593 -1.641 1.245 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.698 -2.859 1.926 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.053 -2.684 2.582 1.00 0.00 H new ATOM 167 N THR A 15 5.849 -0.986 7.654 1.00 0.00 N ATOM 168 CA THR A 15 6.275 -1.553 8.928 1.00 0.00 C ATOM 169 C THR A 15 5.080 -2.026 9.747 1.00 0.00 C ATOM 170 O THR A 15 5.223 -2.409 10.908 1.00 0.00 O ATOM 171 CB THR A 15 7.079 -0.532 9.756 1.00 0.00 C ATOM 172 OG1 THR A 15 6.190 0.266 10.545 1.00 0.00 O ATOM 173 CG2 THR A 15 7.907 0.367 8.851 1.00 0.00 C ATOM 0 H THR A 15 5.182 -0.219 7.736 1.00 0.00 H new ATOM 0 HA THR A 15 6.913 -2.406 8.697 1.00 0.00 H new ATOM 0 HB THR A 15 7.754 -1.081 10.412 1.00 0.00 H new ATOM 0 HG1 THR A 15 6.708 0.911 11.070 1.00 0.00 H new ATOM 0 HG21 THR A 15 8.466 1.079 9.458 1.00 0.00 H new ATOM 0 HG22 THR A 15 8.603 -0.241 8.272 1.00 0.00 H new ATOM 0 HG23 THR A 15 7.247 0.908 8.173 1.00 0.00 H new ATOM 181 N PHE A 16 3.901 -1.998 9.135 1.00 0.00 N ATOM 182 CA PHE A 16 2.680 -2.425 9.808 1.00 0.00 C ATOM 183 C PHE A 16 1.649 -2.925 8.800 1.00 0.00 C ATOM 184 O PHE A 16 1.245 -2.196 7.893 1.00 0.00 O ATOM 185 CB PHE A 16 2.093 -1.272 10.625 1.00 0.00 C ATOM 186 CG PHE A 16 1.104 -1.716 11.664 1.00 0.00 C ATOM 187 CD1 PHE A 16 -0.241 -1.837 11.352 1.00 0.00 C ATOM 188 CD2 PHE A 16 1.518 -2.013 12.952 1.00 0.00 C ATOM 189 CE1 PHE A 16 -1.153 -2.245 12.307 1.00 0.00 C ATOM 190 CE2 PHE A 16 0.611 -2.421 13.911 1.00 0.00 C ATOM 191 CZ PHE A 16 -0.727 -2.538 13.588 1.00 0.00 C ATOM 0 H PHE A 16 3.765 -1.684 8.174 1.00 0.00 H new ATOM 0 HA PHE A 16 2.933 -3.245 10.479 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.905 -0.734 11.114 1.00 0.00 H new ATOM 0 HB3 PHE A 16 1.607 -0.569 9.949 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.580 -1.610 10.352 1.00 0.00 H new ATOM 0 HD2 PHE A 16 2.563 -1.925 13.210 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.199 -2.335 12.052 1.00 0.00 H new ATOM 0 HE2 PHE A 16 0.948 -2.648 14.912 1.00 0.00 H new ATOM 0 HZ PHE A 16 -1.438 -2.858 14.335 1.00 0.00 H new ATOM 201 N THR A 17 1.227 -4.174 8.964 1.00 0.00 N ATOM 202 CA THR A 17 0.245 -4.774 8.069 1.00 0.00 C ATOM 203 C THR A 17 -0.724 -5.667 8.835 1.00 0.00 C ATOM 204 O THR A 17 -0.340 -6.716 9.352 1.00 0.00 O ATOM 205 CB THR A 17 0.925 -5.603 6.964 1.00 0.00 C ATOM 206 OG1 THR A 17 2.150 -6.161 7.453 1.00 0.00 O ATOM 207 CG2 THR A 17 1.207 -4.744 5.740 1.00 0.00 C ATOM 0 H THR A 17 1.550 -4.791 9.709 1.00 0.00 H new ATOM 0 HA THR A 17 -0.307 -3.954 7.610 1.00 0.00 H new ATOM 0 HB THR A 17 0.249 -6.408 6.676 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.174 -7.121 7.256 1.00 0.00 H new ATOM 0 HG21 THR A 17 1.688 -5.351 4.973 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.270 -4.344 5.352 1.00 0.00 H new ATOM 0 HG23 THR A 17 1.866 -3.921 6.017 1.00 0.00 H new ATOM 215 N ASP A 18 -1.982 -5.245 8.904 1.00 0.00 N ATOM 216 CA ASP A 18 -3.008 -6.009 9.605 1.00 0.00 C ATOM 217 C ASP A 18 -4.336 -5.949 8.858 1.00 0.00 C ATOM 218 O ASP A 18 -4.582 -5.025 8.082 1.00 0.00 O ATOM 219 CB ASP A 18 -3.184 -5.478 11.029 1.00 0.00 C ATOM 220 CG ASP A 18 -2.051 -5.893 11.946 1.00 0.00 C ATOM 221 OD1 ASP A 18 -1.480 -6.983 11.729 1.00 0.00 O ATOM 222 OD2 ASP A 18 -1.733 -5.128 12.880 1.00 0.00 O ATOM 0 H ASP A 18 -2.316 -4.378 8.483 1.00 0.00 H new ATOM 0 HA ASP A 18 -2.685 -7.049 9.650 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -3.246 -4.390 11.003 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -4.128 -5.842 11.435 1.00 0.00 H new ATOM 227 N ALA A 19 -5.189 -6.940 9.097 1.00 0.00 N ATOM 228 CA ALA A 19 -6.493 -6.999 8.448 1.00 0.00 C ATOM 229 C ALA A 19 -7.570 -6.365 9.321 1.00 0.00 C ATOM 230 O ALA A 19 -7.871 -6.857 10.409 1.00 0.00 O ATOM 231 CB ALA A 19 -6.855 -8.440 8.122 1.00 0.00 C ATOM 0 H ALA A 19 -5.000 -7.713 9.735 1.00 0.00 H new ATOM 0 HA ALA A 19 -6.435 -6.431 7.519 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.831 -8.469 7.638 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.105 -8.861 7.452 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.889 -9.024 9.042 1.00 0.00 H new ATOM 237 N VAL A 20 -8.148 -5.270 8.838 1.00 0.00 N ATOM 238 CA VAL A 20 -9.193 -4.569 9.575 1.00 0.00 C ATOM 239 C VAL A 20 -10.520 -5.315 9.491 1.00 0.00 C ATOM 240 O VAL A 20 -11.366 -5.199 10.377 1.00 0.00 O ATOM 241 CB VAL A 20 -9.388 -3.136 9.044 1.00 0.00 C ATOM 242 CG1 VAL A 20 -10.359 -2.367 9.928 1.00 0.00 C ATOM 243 CG2 VAL A 20 -8.052 -2.415 8.953 1.00 0.00 C ATOM 0 H VAL A 20 -7.910 -4.849 7.940 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.871 -4.523 10.615 1.00 0.00 H new ATOM 0 HB VAL A 20 -9.813 -3.193 8.042 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -10.485 -1.357 9.538 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -11.323 -2.875 9.937 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.966 -2.317 10.943 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -8.209 -1.404 8.576 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.596 -2.367 9.942 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -7.392 -2.956 8.275 1.00 0.00 H new ATOM 253 N ASN A 21 -10.694 -6.083 8.420 1.00 0.00 N ATOM 254 CA ASN A 21 -11.919 -6.849 8.221 1.00 0.00 C ATOM 255 C ASN A 21 -11.720 -7.925 7.158 1.00 0.00 C ATOM 256 O ASN A 21 -10.644 -8.042 6.573 1.00 0.00 O ATOM 257 CB ASN A 21 -13.066 -5.921 7.815 1.00 0.00 C ATOM 258 CG ASN A 21 -13.808 -5.361 9.013 1.00 0.00 C ATOM 259 OD1 ASN A 21 -13.667 -5.856 10.131 1.00 0.00 O ATOM 260 ND2 ASN A 21 -14.605 -4.323 8.783 1.00 0.00 N ATOM 0 H ASN A 21 -10.003 -6.191 7.678 1.00 0.00 H new ATOM 0 HA ASN A 21 -12.171 -7.336 9.163 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -12.671 -5.099 7.219 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -13.765 -6.467 7.181 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -15.131 -3.904 9.550 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -14.691 -3.945 7.839 1.00 0.00 H new ATOM 267 N GLU A 22 -12.766 -8.708 6.914 1.00 0.00 N ATOM 268 CA GLU A 22 -12.705 -9.775 5.921 1.00 0.00 C ATOM 269 C GLU A 22 -12.484 -9.205 4.523 1.00 0.00 C ATOM 270 O GLU A 22 -11.953 -9.881 3.641 1.00 0.00 O ATOM 271 CB GLU A 22 -13.993 -10.601 5.949 1.00 0.00 C ATOM 272 CG GLU A 22 -15.250 -9.777 5.730 1.00 0.00 C ATOM 273 CD GLU A 22 -15.831 -9.244 7.025 1.00 0.00 C ATOM 274 OE1 GLU A 22 -16.435 -10.037 7.776 1.00 0.00 O ATOM 275 OE2 GLU A 22 -15.680 -8.032 7.288 1.00 0.00 O ATOM 0 H GLU A 22 -13.665 -8.624 7.389 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.862 -10.420 6.169 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -13.936 -11.373 5.181 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -14.066 -11.112 6.909 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -15.022 -8.942 5.068 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -15.998 -10.389 5.225 1.00 0.00 H new ATOM 282 N THR A 23 -12.894 -7.956 4.327 1.00 0.00 N ATOM 283 CA THR A 23 -12.743 -7.295 3.038 1.00 0.00 C ATOM 284 C THR A 23 -12.002 -5.970 3.182 1.00 0.00 C ATOM 285 O THR A 23 -12.028 -5.130 2.282 1.00 0.00 O ATOM 286 CB THR A 23 -14.109 -7.037 2.375 1.00 0.00 C ATOM 287 OG1 THR A 23 -14.983 -6.375 3.296 1.00 0.00 O ATOM 288 CG2 THR A 23 -14.742 -8.341 1.915 1.00 0.00 C ATOM 0 H THR A 23 -13.334 -7.382 5.046 1.00 0.00 H new ATOM 0 HA THR A 23 -12.162 -7.966 2.406 1.00 0.00 H new ATOM 0 HB THR A 23 -13.951 -6.401 1.504 1.00 0.00 H new ATOM 0 HG1 THR A 23 -15.849 -6.213 2.866 1.00 0.00 H new ATOM 0 HG21 THR A 23 -15.706 -8.133 1.450 1.00 0.00 H new ATOM 0 HG22 THR A 23 -14.088 -8.828 1.192 1.00 0.00 H new ATOM 0 HG23 THR A 23 -14.887 -8.998 2.773 1.00 0.00 H new ATOM 296 N THR A 24 -11.342 -5.788 4.321 1.00 0.00 N ATOM 297 CA THR A 24 -10.594 -4.565 4.584 1.00 0.00 C ATOM 298 C THR A 24 -9.225 -4.874 5.180 1.00 0.00 C ATOM 299 O THR A 24 -9.062 -5.855 5.906 1.00 0.00 O ATOM 300 CB THR A 24 -11.360 -3.633 5.542 1.00 0.00 C ATOM 301 OG1 THR A 24 -12.770 -3.756 5.322 1.00 0.00 O ATOM 302 CG2 THR A 24 -10.935 -2.186 5.344 1.00 0.00 C ATOM 0 H THR A 24 -11.310 -6.472 5.077 1.00 0.00 H new ATOM 0 HA THR A 24 -10.464 -4.062 3.626 1.00 0.00 H new ATOM 0 HB THR A 24 -11.125 -3.927 6.565 1.00 0.00 H new ATOM 0 HG1 THR A 24 -13.250 -3.162 5.936 1.00 0.00 H new ATOM 0 HG21 THR A 24 -11.489 -1.547 6.031 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.867 -2.090 5.541 1.00 0.00 H new ATOM 0 HG23 THR A 24 -11.144 -1.883 4.318 1.00 0.00 H new ATOM 310 N ILE A 25 -8.246 -4.031 4.870 1.00 0.00 N ATOM 311 CA ILE A 25 -6.892 -4.215 5.377 1.00 0.00 C ATOM 312 C ILE A 25 -6.218 -2.873 5.642 1.00 0.00 C ATOM 313 O ILE A 25 -6.267 -1.967 4.810 1.00 0.00 O ATOM 314 CB ILE A 25 -6.027 -5.026 4.394 1.00 0.00 C ATOM 315 CG1 ILE A 25 -6.444 -6.498 4.409 1.00 0.00 C ATOM 316 CG2 ILE A 25 -4.553 -4.883 4.743 1.00 0.00 C ATOM 317 CD1 ILE A 25 -5.586 -7.377 3.526 1.00 0.00 C ATOM 0 H ILE A 25 -8.365 -3.214 4.271 1.00 0.00 H new ATOM 0 HA ILE A 25 -6.978 -4.768 6.313 1.00 0.00 H new ATOM 0 HB ILE A 25 -6.181 -4.635 3.388 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.398 -6.870 5.433 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -7.482 -6.577 4.087 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -3.955 -5.462 4.039 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -4.266 -3.833 4.686 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -4.381 -5.252 5.754 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -5.938 -8.407 3.585 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -5.651 -7.030 2.495 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.550 -7.328 3.861 1.00 0.00 H new ATOM 329 N MET A 26 -5.587 -2.753 6.806 1.00 0.00 N ATOM 330 CA MET A 26 -4.900 -1.523 7.179 1.00 0.00 C ATOM 331 C MET A 26 -3.387 -1.717 7.159 1.00 0.00 C ATOM 332 O MET A 26 -2.867 -2.681 7.725 1.00 0.00 O ATOM 333 CB MET A 26 -5.349 -1.063 8.567 1.00 0.00 C ATOM 334 CG MET A 26 -4.340 -0.167 9.267 1.00 0.00 C ATOM 335 SD MET A 26 -5.105 0.927 10.479 1.00 0.00 S ATOM 336 CE MET A 26 -4.623 2.529 9.841 1.00 0.00 C ATOM 0 H MET A 26 -5.538 -3.493 7.506 1.00 0.00 H new ATOM 0 HA MET A 26 -5.159 -0.756 6.449 1.00 0.00 H new ATOM 0 HB2 MET A 26 -6.295 -0.529 8.475 1.00 0.00 H new ATOM 0 HB3 MET A 26 -5.537 -1.939 9.188 1.00 0.00 H new ATOM 0 HG2 MET A 26 -3.593 -0.786 9.763 1.00 0.00 H new ATOM 0 HG3 MET A 26 -3.815 0.432 8.523 1.00 0.00 H new ATOM 0 HE1 MET A 26 -5.383 3.267 10.097 1.00 0.00 H new ATOM 0 HE2 MET A 26 -3.669 2.823 10.279 1.00 0.00 H new ATOM 0 HE3 MET A 26 -4.522 2.474 8.757 1.00 0.00 H new ATOM 346 N LEU A 27 -2.685 -0.798 6.506 1.00 0.00 N ATOM 347 CA LEU A 27 -1.231 -0.869 6.413 1.00 0.00 C ATOM 348 C LEU A 27 -0.606 0.511 6.589 1.00 0.00 C ATOM 349 O LEU A 27 -1.062 1.491 6.000 1.00 0.00 O ATOM 350 CB LEU A 27 -0.815 -1.462 5.066 1.00 0.00 C ATOM 351 CG LEU A 27 -0.665 -0.468 3.913 1.00 0.00 C ATOM 352 CD1 LEU A 27 0.192 -1.061 2.805 1.00 0.00 C ATOM 353 CD2 LEU A 27 -2.031 -0.066 3.375 1.00 0.00 C ATOM 0 H LEU A 27 -3.099 0.005 6.033 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.871 -1.515 7.214 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.134 -1.981 5.198 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.551 -2.213 4.779 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.167 0.425 4.291 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.288 -0.340 1.993 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.181 -1.299 3.197 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.277 -1.970 2.429 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.905 0.641 2.555 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -2.555 -0.951 3.013 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.613 0.400 4.170 1.00 0.00 H new ATOM 365 N LYS A 28 0.443 0.581 7.402 1.00 0.00 N ATOM 366 CA LYS A 28 1.134 1.840 7.654 1.00 0.00 C ATOM 367 C LYS A 28 2.557 1.799 7.104 1.00 0.00 C ATOM 368 O LYS A 28 3.269 0.810 7.275 1.00 0.00 O ATOM 369 CB LYS A 28 1.164 2.137 9.155 1.00 0.00 C ATOM 370 CG LYS A 28 -0.200 2.059 9.818 1.00 0.00 C ATOM 371 CD LYS A 28 -0.087 1.674 11.283 1.00 0.00 C ATOM 372 CE LYS A 28 -1.439 1.723 11.978 1.00 0.00 C ATOM 373 NZ LYS A 28 -1.948 3.117 12.105 1.00 0.00 N ATOM 0 H LYS A 28 0.833 -0.220 7.898 1.00 0.00 H new ATOM 0 HA LYS A 28 0.589 2.634 7.144 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.837 1.432 9.643 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.578 3.133 9.312 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.703 3.022 9.732 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.818 1.329 9.296 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.329 0.670 11.365 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.606 2.349 11.785 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.157 1.124 11.418 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.355 1.276 12.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.920 3.099 12.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.339 3.651 12.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.941 3.576 11.172 1.00 0.00 H new ATOM 387 N TRP A 29 2.963 2.879 6.447 1.00 0.00 N ATOM 388 CA TRP A 29 4.302 2.966 5.874 1.00 0.00 C ATOM 389 C TRP A 29 5.118 4.055 6.561 1.00 0.00 C ATOM 390 O TRP A 29 4.562 4.964 7.176 1.00 0.00 O ATOM 391 CB TRP A 29 4.219 3.244 4.372 1.00 0.00 C ATOM 392 CG TRP A 29 3.382 4.441 4.036 1.00 0.00 C ATOM 393 CD1 TRP A 29 3.796 5.742 3.982 1.00 0.00 C ATOM 394 CD2 TRP A 29 1.989 4.448 3.708 1.00 0.00 C ATOM 395 NE1 TRP A 29 2.744 6.557 3.641 1.00 0.00 N ATOM 396 CE2 TRP A 29 1.624 5.787 3.466 1.00 0.00 C ATOM 397 CE3 TRP A 29 1.014 3.454 3.592 1.00 0.00 C ATOM 398 CZ2 TRP A 29 0.327 6.154 3.118 1.00 0.00 C ATOM 399 CZ3 TRP A 29 -0.273 3.819 3.247 1.00 0.00 C ATOM 400 CH2 TRP A 29 -0.607 5.160 3.012 1.00 0.00 C ATOM 0 H TRP A 29 2.385 3.706 6.298 1.00 0.00 H new ATOM 0 HA TRP A 29 4.801 2.010 6.032 1.00 0.00 H new ATOM 0 HB2 TRP A 29 5.226 3.392 3.981 1.00 0.00 H new ATOM 0 HB3 TRP A 29 3.807 2.369 3.870 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.803 6.080 4.179 1.00 0.00 H new ATOM 0 HE1 TRP A 29 2.789 7.570 3.535 1.00 0.00 H new ATOM 0 HE3 TRP A 29 1.262 2.418 3.769 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 0.067 7.187 2.938 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -1.034 3.058 3.157 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -1.622 5.413 2.742 1.00 0.00 H new ATOM 411 N MET A 30 6.439 3.955 6.453 1.00 0.00 N ATOM 412 CA MET A 30 7.331 4.934 7.064 1.00 0.00 C ATOM 413 C MET A 30 8.147 5.664 6.001 1.00 0.00 C ATOM 414 O MET A 30 8.155 5.272 4.834 1.00 0.00 O ATOM 415 CB MET A 30 8.267 4.249 8.061 1.00 0.00 C ATOM 416 CG MET A 30 9.407 3.490 7.402 1.00 0.00 C ATOM 417 SD MET A 30 10.861 4.521 7.127 1.00 0.00 S ATOM 418 CE MET A 30 11.496 4.664 8.795 1.00 0.00 C ATOM 0 H MET A 30 6.915 3.207 5.949 1.00 0.00 H new ATOM 0 HA MET A 30 6.720 5.665 7.593 1.00 0.00 H new ATOM 0 HB2 MET A 30 8.682 5.001 8.732 1.00 0.00 H new ATOM 0 HB3 MET A 30 7.688 3.558 8.674 1.00 0.00 H new ATOM 0 HG2 MET A 30 9.682 2.640 8.027 1.00 0.00 H new ATOM 0 HG3 MET A 30 9.067 3.087 6.448 1.00 0.00 H new ATOM 0 HE1 MET A 30 11.702 5.711 9.017 1.00 0.00 H new ATOM 0 HE2 MET A 30 10.757 4.282 9.500 1.00 0.00 H new ATOM 0 HE3 MET A 30 12.416 4.086 8.885 1.00 0.00 H new ATOM 428 N TYR A 31 8.831 6.725 6.412 1.00 0.00 N ATOM 429 CA TYR A 31 9.647 7.511 5.495 1.00 0.00 C ATOM 430 C TYR A 31 11.020 7.798 6.096 1.00 0.00 C ATOM 431 O TYR A 31 11.130 8.197 7.256 1.00 0.00 O ATOM 432 CB TYR A 31 8.944 8.825 5.151 1.00 0.00 C ATOM 433 CG TYR A 31 9.698 9.671 4.149 1.00 0.00 C ATOM 434 CD1 TYR A 31 10.726 10.513 4.555 1.00 0.00 C ATOM 435 CD2 TYR A 31 9.382 9.627 2.797 1.00 0.00 C ATOM 436 CE1 TYR A 31 11.417 11.288 3.644 1.00 0.00 C ATOM 437 CE2 TYR A 31 10.069 10.398 1.878 1.00 0.00 C ATOM 438 CZ TYR A 31 11.085 11.227 2.307 1.00 0.00 C ATOM 439 OH TYR A 31 11.771 11.996 1.396 1.00 0.00 O ATOM 0 H TYR A 31 8.837 7.061 7.375 1.00 0.00 H new ATOM 0 HA TYR A 31 9.784 6.930 4.583 1.00 0.00 H new ATOM 0 HB2 TYR A 31 7.953 8.604 4.755 1.00 0.00 H new ATOM 0 HB3 TYR A 31 8.801 9.401 6.065 1.00 0.00 H new ATOM 0 HD1 TYR A 31 10.989 10.562 5.601 1.00 0.00 H new ATOM 0 HD2 TYR A 31 8.587 8.980 2.458 1.00 0.00 H new ATOM 0 HE1 TYR A 31 12.213 11.938 3.977 1.00 0.00 H new ATOM 0 HE2 TYR A 31 9.812 10.352 0.830 1.00 0.00 H new ATOM 0 HH TYR A 31 11.414 11.835 0.498 1.00 0.00 H new ATOM 449 N ILE A 32 12.062 7.592 5.299 1.00 0.00 N ATOM 450 CA ILE A 32 13.428 7.830 5.750 1.00 0.00 C ATOM 451 C ILE A 32 13.883 9.243 5.403 1.00 0.00 C ATOM 452 O ILE A 32 13.955 9.630 4.236 1.00 0.00 O ATOM 453 CB ILE A 32 14.410 6.819 5.130 1.00 0.00 C ATOM 454 CG1 ILE A 32 13.826 5.406 5.190 1.00 0.00 C ATOM 455 CG2 ILE A 32 15.751 6.875 5.847 1.00 0.00 C ATOM 456 CD1 ILE A 32 13.980 4.745 6.542 1.00 0.00 C ATOM 0 H ILE A 32 11.987 7.261 4.337 1.00 0.00 H new ATOM 0 HA ILE A 32 13.429 7.707 6.833 1.00 0.00 H new ATOM 0 HB ILE A 32 14.568 7.083 4.084 1.00 0.00 H new ATOM 0 HG12 ILE A 32 12.767 5.448 4.934 1.00 0.00 H new ATOM 0 HG13 ILE A 32 14.312 4.788 4.435 1.00 0.00 H new ATOM 0 HG21 ILE A 32 16.434 6.155 5.397 1.00 0.00 H new ATOM 0 HG22 ILE A 32 16.170 7.877 5.758 1.00 0.00 H new ATOM 0 HG23 ILE A 32 15.611 6.633 6.901 1.00 0.00 H new ATOM 0 HD11 ILE A 32 13.544 3.747 6.511 1.00 0.00 H new ATOM 0 HD12 ILE A 32 15.038 4.671 6.792 1.00 0.00 H new ATOM 0 HD13 ILE A 32 13.469 5.341 7.299 1.00 0.00 H new ATOM 468 N PRO A 33 14.201 10.034 6.439 1.00 0.00 N ATOM 469 CA PRO A 33 14.658 11.416 6.269 1.00 0.00 C ATOM 470 C PRO A 33 16.052 11.495 5.655 1.00 0.00 C ATOM 471 O PRO A 33 16.305 12.309 4.768 1.00 0.00 O ATOM 472 CB PRO A 33 14.671 11.964 7.698 1.00 0.00 C ATOM 473 CG PRO A 33 14.845 10.763 8.562 1.00 0.00 C ATOM 474 CD PRO A 33 14.139 9.639 7.856 1.00 0.00 C ATOM 0 HA PRO A 33 14.016 11.976 5.589 1.00 0.00 H new ATOM 0 HB2 PRO A 33 15.484 12.676 7.842 1.00 0.00 H new ATOM 0 HB3 PRO A 33 13.744 12.488 7.930 1.00 0.00 H new ATOM 0 HG2 PRO A 33 15.901 10.533 8.703 1.00 0.00 H new ATOM 0 HG3 PRO A 33 14.421 10.930 9.552 1.00 0.00 H new ATOM 0 HD2 PRO A 33 14.633 8.683 8.029 1.00 0.00 H new ATOM 0 HD3 PRO A 33 13.110 9.533 8.199 1.00 0.00 H new ATOM 482 N ALA A 34 16.952 10.642 6.133 1.00 0.00 N ATOM 483 CA ALA A 34 18.320 10.614 5.629 1.00 0.00 C ATOM 484 C ALA A 34 18.343 10.536 4.106 1.00 0.00 C ATOM 485 O ALA A 34 18.733 11.490 3.433 1.00 0.00 O ATOM 486 CB ALA A 34 19.079 9.440 6.230 1.00 0.00 C ATOM 0 H ALA A 34 16.759 9.962 6.868 1.00 0.00 H new ATOM 0 HA ALA A 34 18.810 11.541 5.927 1.00 0.00 H new ATOM 0 HB1 ALA A 34 20.099 9.431 5.845 1.00 0.00 H new ATOM 0 HB2 ALA A 34 19.101 9.538 7.315 1.00 0.00 H new ATOM 0 HB3 ALA A 34 18.581 8.509 5.960 1.00 0.00 H new ATOM 492 N SER A 35 17.922 9.395 3.570 1.00 0.00 N ATOM 493 CA SER A 35 17.899 9.192 2.126 1.00 0.00 C ATOM 494 C SER A 35 16.726 9.934 1.492 1.00 0.00 C ATOM 495 O SER A 35 15.956 9.360 0.724 1.00 0.00 O ATOM 496 CB SER A 35 17.808 7.700 1.801 1.00 0.00 C ATOM 497 OG SER A 35 16.557 7.166 2.197 1.00 0.00 O ATOM 0 H SER A 35 17.592 8.597 4.114 1.00 0.00 H new ATOM 0 HA SER A 35 18.825 9.591 1.713 1.00 0.00 H new ATOM 0 HB2 SER A 35 17.949 7.549 0.731 1.00 0.00 H new ATOM 0 HB3 SER A 35 18.612 7.165 2.307 1.00 0.00 H new ATOM 0 HG SER A 35 15.835 7.706 1.813 1.00 0.00 H new ATOM 503 N ASN A 36 16.597 11.215 1.821 1.00 0.00 N ATOM 504 CA ASN A 36 15.518 12.037 1.285 1.00 0.00 C ATOM 505 C ASN A 36 16.059 13.069 0.299 1.00 0.00 C ATOM 506 O ASN A 36 17.053 13.741 0.571 1.00 0.00 O ATOM 507 CB ASN A 36 14.774 12.742 2.421 1.00 0.00 C ATOM 508 CG ASN A 36 13.693 13.676 1.912 1.00 0.00 C ATOM 509 OD1 ASN A 36 13.390 13.701 0.719 1.00 0.00 O ATOM 510 ND2 ASN A 36 13.105 14.450 2.817 1.00 0.00 N ATOM 0 H ASN A 36 17.226 11.706 2.456 1.00 0.00 H new ATOM 0 HA ASN A 36 14.825 11.383 0.756 1.00 0.00 H new ATOM 0 HB2 ASN A 36 14.326 11.995 3.077 1.00 0.00 H new ATOM 0 HB3 ASN A 36 15.486 13.308 3.022 1.00 0.00 H new ATOM 0 HD21 ASN A 36 12.370 15.098 2.534 1.00 0.00 H new ATOM 0 HD22 ASN A 36 13.388 14.396 3.795 1.00 0.00 H new ATOM 517 N ASN A 37 15.395 13.189 -0.846 1.00 0.00 N ATOM 518 CA ASN A 37 15.809 14.138 -1.873 1.00 0.00 C ATOM 519 C ASN A 37 15.236 15.524 -1.594 1.00 0.00 C ATOM 520 O ASN A 37 15.042 16.323 -2.510 1.00 0.00 O ATOM 521 CB ASN A 37 15.359 13.656 -3.254 1.00 0.00 C ATOM 522 CG ASN A 37 16.018 12.351 -3.654 1.00 0.00 C ATOM 523 OD1 ASN A 37 15.314 11.550 -4.445 1.00 0.00 O flip ATOM 524 ND2 ASN A 37 17.148 12.066 -3.256 1.00 0.00 N flip ATOM 0 H ASN A 37 14.569 12.641 -1.086 1.00 0.00 H new ATOM 0 HA ASN A 37 16.897 14.203 -1.856 1.00 0.00 H new ATOM 0 HB2 ASN A 37 14.276 13.529 -3.256 1.00 0.00 H new ATOM 0 HB3 ASN A 37 15.592 14.420 -3.996 1.00 0.00 H new ATOM 0 HD21 ASN A 37 17.653 12.712 -2.649 1.00 0.00 H new ATOM 0 HD22 ASN A 37 17.579 11.184 -3.533 1.00 0.00 H new ATOM 531 N ASN A 38 14.967 15.803 -0.323 1.00 0.00 N ATOM 532 CA ASN A 38 14.417 17.093 0.077 1.00 0.00 C ATOM 533 C ASN A 38 13.348 17.557 -0.908 1.00 0.00 C ATOM 534 O ASN A 38 13.233 18.748 -1.201 1.00 0.00 O ATOM 535 CB ASN A 38 15.529 18.139 0.171 1.00 0.00 C ATOM 536 CG ASN A 38 16.183 18.167 1.539 1.00 0.00 C ATOM 537 OD1 ASN A 38 17.283 17.648 1.725 1.00 0.00 O ATOM 538 ND2 ASN A 38 15.505 18.777 2.506 1.00 0.00 N ATOM 0 H ASN A 38 15.121 15.153 0.448 1.00 0.00 H new ATOM 0 HA ASN A 38 13.956 16.975 1.058 1.00 0.00 H new ATOM 0 HB2 ASN A 38 16.285 17.930 -0.586 1.00 0.00 H new ATOM 0 HB3 ASN A 38 15.118 19.123 -0.052 1.00 0.00 H new ATOM 0 HD21 ASN A 38 15.894 18.828 3.447 1.00 0.00 H new ATOM 0 HD22 ASN A 38 14.596 19.194 2.307 1.00 0.00 H new ATOM 545 N THR A 39 12.567 16.609 -1.416 1.00 0.00 N ATOM 546 CA THR A 39 11.509 16.920 -2.368 1.00 0.00 C ATOM 547 C THR A 39 10.133 16.647 -1.770 1.00 0.00 C ATOM 548 O THR A 39 9.897 15.615 -1.141 1.00 0.00 O ATOM 549 CB THR A 39 11.663 16.104 -3.666 1.00 0.00 C ATOM 550 OG1 THR A 39 11.021 16.783 -4.751 1.00 0.00 O ATOM 551 CG2 THR A 39 11.064 14.715 -3.505 1.00 0.00 C ATOM 0 H THR A 39 12.648 15.619 -1.184 1.00 0.00 H new ATOM 0 HA THR A 39 11.597 17.981 -2.602 1.00 0.00 H new ATOM 0 HB THR A 39 12.727 16.002 -3.881 1.00 0.00 H new ATOM 0 HG1 THR A 39 11.125 16.259 -5.572 1.00 0.00 H new ATOM 0 HG21 THR A 39 11.184 14.157 -4.434 1.00 0.00 H new ATOM 0 HG22 THR A 39 11.574 14.190 -2.698 1.00 0.00 H new ATOM 0 HG23 THR A 39 10.004 14.801 -3.268 1.00 0.00 H new ATOM 559 N PRO A 40 9.202 17.592 -1.969 1.00 0.00 N ATOM 560 CA PRO A 40 7.834 17.475 -1.458 1.00 0.00 C ATOM 561 C PRO A 40 7.035 16.396 -2.182 1.00 0.00 C ATOM 562 O PRO A 40 7.079 16.296 -3.408 1.00 0.00 O ATOM 563 CB PRO A 40 7.234 18.857 -1.728 1.00 0.00 C ATOM 564 CG PRO A 40 8.023 19.394 -2.872 1.00 0.00 C ATOM 565 CD PRO A 40 9.414 18.847 -2.709 1.00 0.00 C ATOM 0 HA PRO A 40 7.815 17.186 -0.407 1.00 0.00 H new ATOM 0 HB2 PRO A 40 6.175 18.788 -1.975 1.00 0.00 H new ATOM 0 HB3 PRO A 40 7.315 19.502 -0.853 1.00 0.00 H new ATOM 0 HG2 PRO A 40 7.591 19.084 -3.824 1.00 0.00 H new ATOM 0 HG3 PRO A 40 8.029 20.484 -2.864 1.00 0.00 H new ATOM 0 HD2 PRO A 40 9.892 18.670 -3.673 1.00 0.00 H new ATOM 0 HD3 PRO A 40 10.055 19.535 -2.158 1.00 0.00 H new ATOM 573 N ILE A 41 6.305 15.592 -1.416 1.00 0.00 N ATOM 574 CA ILE A 41 5.495 14.523 -1.985 1.00 0.00 C ATOM 575 C ILE A 41 4.048 14.968 -2.170 1.00 0.00 C ATOM 576 O ILE A 41 3.459 15.586 -1.282 1.00 0.00 O ATOM 577 CB ILE A 41 5.524 13.262 -1.101 1.00 0.00 C ATOM 578 CG1 ILE A 41 6.950 12.984 -0.620 1.00 0.00 C ATOM 579 CG2 ILE A 41 4.974 12.067 -1.865 1.00 0.00 C ATOM 580 CD1 ILE A 41 7.087 11.684 0.143 1.00 0.00 C ATOM 0 H ILE A 41 6.258 15.661 -0.399 1.00 0.00 H new ATOM 0 HA ILE A 41 5.926 14.285 -2.957 1.00 0.00 H new ATOM 0 HB ILE A 41 4.893 13.432 -0.229 1.00 0.00 H new ATOM 0 HG12 ILE A 41 7.618 12.963 -1.481 1.00 0.00 H new ATOM 0 HG13 ILE A 41 7.277 13.806 0.017 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.001 11.184 -1.227 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.945 12.268 -2.163 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.581 11.892 -2.753 1.00 0.00 H new ATOM 0 HD11 ILE A 41 8.123 11.552 0.453 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.445 11.710 1.024 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.791 10.853 -0.498 1.00 0.00 H new ATOM 592 N HIS A 42 3.479 14.647 -3.328 1.00 0.00 N ATOM 593 CA HIS A 42 2.099 15.012 -3.628 1.00 0.00 C ATOM 594 C HIS A 42 1.125 14.174 -2.805 1.00 0.00 C ATOM 595 O HIS A 42 0.122 14.683 -2.304 1.00 0.00 O ATOM 596 CB HIS A 42 1.814 14.828 -5.119 1.00 0.00 C ATOM 597 CG HIS A 42 2.288 15.970 -5.964 1.00 0.00 C ATOM 598 ND1 HIS A 42 2.085 16.033 -7.326 1.00 0.00 N ATOM 599 CD2 HIS A 42 2.957 17.099 -5.632 1.00 0.00 C ATOM 600 CE1 HIS A 42 2.611 17.150 -7.797 1.00 0.00 C ATOM 601 NE2 HIS A 42 3.146 17.815 -6.789 1.00 0.00 N ATOM 0 H HIS A 42 3.952 14.135 -4.073 1.00 0.00 H new ATOM 0 HA HIS A 42 1.961 16.061 -3.366 1.00 0.00 H new ATOM 0 HB2 HIS A 42 2.292 13.910 -5.461 1.00 0.00 H new ATOM 0 HB3 HIS A 42 0.741 14.701 -5.263 1.00 0.00 H new ATOM 0 HD1 HIS A 42 1.604 15.327 -7.883 1.00 0.00 H new ATOM 0 HD2 HIS A 42 3.282 17.384 -4.642 1.00 0.00 H new ATOM 0 HE1 HIS A 42 2.605 17.465 -8.830 1.00 0.00 H new ATOM 610 N GLY A 43 1.426 12.886 -2.669 1.00 0.00 N ATOM 611 CA GLY A 43 0.567 11.999 -1.907 1.00 0.00 C ATOM 612 C GLY A 43 1.189 10.634 -1.690 1.00 0.00 C ATOM 613 O GLY A 43 2.385 10.525 -1.420 1.00 0.00 O ATOM 0 H GLY A 43 2.250 12.441 -3.073 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.348 12.453 -0.940 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.384 11.883 -2.428 1.00 0.00 H new ATOM 617 N PHE A 44 0.376 9.590 -1.807 1.00 0.00 N ATOM 618 CA PHE A 44 0.853 8.224 -1.620 1.00 0.00 C ATOM 619 C PHE A 44 -0.038 7.230 -2.358 1.00 0.00 C ATOM 620 O PHE A 44 -1.252 7.196 -2.151 1.00 0.00 O ATOM 621 CB PHE A 44 0.899 7.878 -0.130 1.00 0.00 C ATOM 622 CG PHE A 44 2.139 8.367 0.562 1.00 0.00 C ATOM 623 CD1 PHE A 44 3.395 8.014 0.093 1.00 0.00 C ATOM 624 CD2 PHE A 44 2.050 9.180 1.680 1.00 0.00 C ATOM 625 CE1 PHE A 44 4.538 8.462 0.728 1.00 0.00 C ATOM 626 CE2 PHE A 44 3.190 9.631 2.319 1.00 0.00 C ATOM 627 CZ PHE A 44 4.435 9.273 1.841 1.00 0.00 C ATOM 0 H PHE A 44 -0.617 9.663 -2.030 1.00 0.00 H new ATOM 0 HA PHE A 44 1.859 8.157 -2.033 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.026 8.307 0.361 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.831 6.796 -0.014 1.00 0.00 H new ATOM 0 HD1 PHE A 44 3.481 7.382 -0.778 1.00 0.00 H new ATOM 0 HD2 PHE A 44 1.079 9.465 2.057 1.00 0.00 H new ATOM 0 HE1 PHE A 44 5.511 8.178 0.354 1.00 0.00 H new ATOM 0 HE2 PHE A 44 3.107 10.263 3.191 1.00 0.00 H new ATOM 0 HZ PHE A 44 5.327 9.627 2.337 1.00 0.00 H new ATOM 637 N TYR A 45 0.572 6.423 -3.218 1.00 0.00 N ATOM 638 CA TYR A 45 -0.166 5.430 -3.990 1.00 0.00 C ATOM 639 C TYR A 45 -0.025 4.044 -3.369 1.00 0.00 C ATOM 640 O TYR A 45 1.042 3.678 -2.876 1.00 0.00 O ATOM 641 CB TYR A 45 0.330 5.406 -5.437 1.00 0.00 C ATOM 642 CG TYR A 45 -0.268 6.494 -6.300 1.00 0.00 C ATOM 643 CD1 TYR A 45 -1.638 6.725 -6.312 1.00 0.00 C ATOM 644 CD2 TYR A 45 0.538 7.293 -7.102 1.00 0.00 C ATOM 645 CE1 TYR A 45 -2.188 7.717 -7.100 1.00 0.00 C ATOM 646 CE2 TYR A 45 -0.004 8.289 -7.892 1.00 0.00 C ATOM 647 CZ TYR A 45 -1.367 8.497 -7.888 1.00 0.00 C ATOM 648 OH TYR A 45 -1.911 9.487 -8.672 1.00 0.00 O ATOM 0 H TYR A 45 1.576 6.437 -3.398 1.00 0.00 H new ATOM 0 HA TYR A 45 -1.220 5.708 -3.979 1.00 0.00 H new ATOM 0 HB2 TYR A 45 1.415 5.505 -5.442 1.00 0.00 H new ATOM 0 HB3 TYR A 45 0.097 4.436 -5.876 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -2.284 6.118 -5.695 1.00 0.00 H new ATOM 0 HD2 TYR A 45 1.606 7.133 -7.108 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.255 7.881 -7.099 1.00 0.00 H new ATOM 0 HE2 TYR A 45 0.637 8.901 -8.509 1.00 0.00 H new ATOM 0 HH TYR A 45 -1.197 9.944 -9.164 1.00 0.00 H new ATOM 658 N ILE A 46 -1.110 3.277 -3.399 1.00 0.00 N ATOM 659 CA ILE A 46 -1.108 1.930 -2.841 1.00 0.00 C ATOM 660 C ILE A 46 -1.632 0.916 -3.852 1.00 0.00 C ATOM 661 O ILE A 46 -2.715 1.085 -4.413 1.00 0.00 O ATOM 662 CB ILE A 46 -1.960 1.849 -1.561 1.00 0.00 C ATOM 663 CG1 ILE A 46 -1.361 2.736 -0.467 1.00 0.00 C ATOM 664 CG2 ILE A 46 -2.065 0.408 -1.084 1.00 0.00 C ATOM 665 CD1 ILE A 46 -2.390 3.289 0.493 1.00 0.00 C ATOM 0 H ILE A 46 -2.001 3.565 -3.803 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.073 1.692 -2.594 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.963 2.210 -1.787 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.625 2.160 0.094 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.829 3.565 -0.934 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.670 0.368 -0.178 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.532 -0.199 -1.860 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.068 0.022 -0.872 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.894 3.908 1.241 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.113 3.892 -0.056 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.906 2.466 0.987 1.00 0.00 H new ATOM 677 N TYR A 47 -0.858 -0.140 -4.079 1.00 0.00 N ATOM 678 CA TYR A 47 -1.244 -1.182 -5.022 1.00 0.00 C ATOM 679 C TYR A 47 -1.645 -2.459 -4.290 1.00 0.00 C ATOM 680 O TYR A 47 -1.083 -2.792 -3.246 1.00 0.00 O ATOM 681 CB TYR A 47 -0.095 -1.475 -5.989 1.00 0.00 C ATOM 682 CG TYR A 47 0.189 -0.344 -6.952 1.00 0.00 C ATOM 683 CD1 TYR A 47 0.444 0.941 -6.491 1.00 0.00 C ATOM 684 CD2 TYR A 47 0.203 -0.562 -8.325 1.00 0.00 C ATOM 685 CE1 TYR A 47 0.702 1.977 -7.367 1.00 0.00 C ATOM 686 CE2 TYR A 47 0.462 0.467 -9.209 1.00 0.00 C ATOM 687 CZ TYR A 47 0.711 1.735 -8.725 1.00 0.00 C ATOM 688 OH TYR A 47 0.969 2.764 -9.602 1.00 0.00 O ATOM 0 H TYR A 47 0.041 -0.296 -3.622 1.00 0.00 H new ATOM 0 HA TYR A 47 -2.104 -0.824 -5.587 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.807 -1.687 -5.415 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.330 -2.375 -6.558 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.440 1.134 -5.428 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.008 -1.553 -8.707 1.00 0.00 H new ATOM 0 HE1 TYR A 47 0.896 2.971 -6.991 1.00 0.00 H new ATOM 0 HE2 TYR A 47 0.470 0.280 -10.273 1.00 0.00 H new ATOM 0 HH TYR A 47 0.939 2.426 -10.521 1.00 0.00 H new ATOM 698 N TYR A 48 -2.619 -3.170 -4.846 1.00 0.00 N ATOM 699 CA TYR A 48 -3.098 -4.410 -4.246 1.00 0.00 C ATOM 700 C TYR A 48 -3.763 -5.300 -5.291 1.00 0.00 C ATOM 701 O TYR A 48 -4.324 -4.811 -6.272 1.00 0.00 O ATOM 702 CB TYR A 48 -4.084 -4.107 -3.116 1.00 0.00 C ATOM 703 CG TYR A 48 -5.065 -3.005 -3.448 1.00 0.00 C ATOM 704 CD1 TYR A 48 -4.706 -1.668 -3.324 1.00 0.00 C ATOM 705 CD2 TYR A 48 -6.350 -3.300 -3.886 1.00 0.00 C ATOM 706 CE1 TYR A 48 -5.599 -0.658 -3.625 1.00 0.00 C ATOM 707 CE2 TYR A 48 -7.249 -2.296 -4.191 1.00 0.00 C ATOM 708 CZ TYR A 48 -6.869 -0.977 -4.058 1.00 0.00 C ATOM 709 OH TYR A 48 -7.761 0.026 -4.361 1.00 0.00 O ATOM 0 H TYR A 48 -3.093 -2.909 -5.711 1.00 0.00 H new ATOM 0 HA TYR A 48 -2.239 -4.941 -3.837 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -4.638 -5.014 -2.875 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -3.525 -3.828 -2.223 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -3.712 -1.414 -2.987 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -6.651 -4.332 -3.990 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -5.304 0.376 -3.522 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -8.244 -2.543 -4.532 1.00 0.00 H new ATOM 0 HH TYR A 48 -7.939 0.559 -3.558 1.00 0.00 H new ATOM 719 N ARG A 49 -3.696 -6.609 -5.074 1.00 0.00 N ATOM 720 CA ARG A 49 -4.290 -7.569 -5.996 1.00 0.00 C ATOM 721 C ARG A 49 -4.295 -8.971 -5.394 1.00 0.00 C ATOM 722 O ARG A 49 -3.358 -9.382 -4.710 1.00 0.00 O ATOM 723 CB ARG A 49 -3.526 -7.574 -7.322 1.00 0.00 C ATOM 724 CG ARG A 49 -2.097 -8.076 -7.199 1.00 0.00 C ATOM 725 CD ARG A 49 -2.017 -9.582 -7.396 1.00 0.00 C ATOM 726 NE ARG A 49 -0.917 -10.175 -6.640 1.00 0.00 N ATOM 727 CZ ARG A 49 -0.501 -11.426 -6.807 1.00 0.00 C ATOM 728 NH1 ARG A 49 -1.090 -12.211 -7.699 1.00 0.00 N ATOM 729 NH2 ARG A 49 0.507 -11.893 -6.081 1.00 0.00 N ATOM 0 H ARG A 49 -3.236 -7.029 -4.267 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.321 -7.268 -6.179 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -4.061 -8.198 -8.038 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.513 -6.563 -7.728 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -1.470 -7.577 -7.938 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -1.702 -7.815 -6.217 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.957 -10.039 -7.087 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.889 -9.803 -8.456 1.00 0.00 H new ATOM 0 HE ARG A 49 -0.442 -9.597 -5.946 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.865 -11.855 -8.259 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -0.768 -13.171 -7.825 1.00 0.00 H new ATOM 0 HH21 ARG A 49 0.963 -11.292 -5.395 1.00 0.00 H new ATOM 0 HH22 ARG A 49 0.826 -12.853 -6.209 1.00 0.00 H new ATOM 743 N PRO A 50 -5.375 -9.722 -5.653 1.00 0.00 N ATOM 744 CA PRO A 50 -5.529 -11.089 -5.146 1.00 0.00 C ATOM 745 C PRO A 50 -4.568 -12.067 -5.814 1.00 0.00 C ATOM 746 O PRO A 50 -4.221 -11.911 -6.986 1.00 0.00 O ATOM 747 CB PRO A 50 -6.977 -11.438 -5.499 1.00 0.00 C ATOM 748 CG PRO A 50 -7.302 -10.570 -6.665 1.00 0.00 C ATOM 749 CD PRO A 50 -6.530 -9.296 -6.461 1.00 0.00 C ATOM 0 HA PRO A 50 -5.308 -11.155 -4.081 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -7.080 -12.494 -5.750 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -7.647 -11.243 -4.661 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -7.019 -11.052 -7.601 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -8.373 -10.373 -6.718 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -6.218 -8.859 -7.410 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -7.126 -8.543 -5.945 1.00 0.00 H new ATOM 757 N THR A 51 -4.139 -13.076 -5.062 1.00 0.00 N ATOM 758 CA THR A 51 -3.217 -14.078 -5.581 1.00 0.00 C ATOM 759 C THR A 51 -3.798 -14.777 -6.805 1.00 0.00 C ATOM 760 O THR A 51 -3.063 -15.336 -7.619 1.00 0.00 O ATOM 761 CB THR A 51 -2.877 -15.135 -4.513 1.00 0.00 C ATOM 762 OG1 THR A 51 -1.571 -15.671 -4.754 1.00 0.00 O ATOM 763 CG2 THR A 51 -3.902 -16.259 -4.518 1.00 0.00 C ATOM 0 H THR A 51 -4.416 -13.221 -4.091 1.00 0.00 H new ATOM 0 HA THR A 51 -2.305 -13.553 -5.864 1.00 0.00 H new ATOM 0 HB THR A 51 -2.897 -14.652 -3.536 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.361 -16.341 -4.070 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.641 -16.993 -3.756 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.890 -15.851 -4.306 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.910 -16.739 -5.496 1.00 0.00 H new ATOM 771 N ASP A 52 -5.120 -14.743 -6.928 1.00 0.00 N ATOM 772 CA ASP A 52 -5.799 -15.373 -8.055 1.00 0.00 C ATOM 773 C ASP A 52 -5.643 -14.536 -9.320 1.00 0.00 C ATOM 774 O ASP A 52 -6.041 -14.955 -10.407 1.00 0.00 O ATOM 775 CB ASP A 52 -7.283 -15.569 -7.738 1.00 0.00 C ATOM 776 CG ASP A 52 -7.554 -16.880 -7.026 1.00 0.00 C ATOM 777 OD1 ASP A 52 -6.860 -17.874 -7.327 1.00 0.00 O ATOM 778 OD2 ASP A 52 -8.460 -16.911 -6.167 1.00 0.00 O ATOM 0 H ASP A 52 -5.743 -14.286 -6.262 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.340 -16.347 -8.226 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.631 -14.743 -7.118 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -7.857 -15.536 -8.664 1.00 0.00 H new ATOM 783 N SER A 53 -5.063 -13.349 -9.171 1.00 0.00 N ATOM 784 CA SER A 53 -4.859 -12.450 -10.301 1.00 0.00 C ATOM 785 C SER A 53 -4.022 -13.123 -11.386 1.00 0.00 C ATOM 786 O SER A 53 -3.621 -14.279 -11.248 1.00 0.00 O ATOM 787 CB SER A 53 -4.175 -11.163 -9.839 1.00 0.00 C ATOM 788 OG SER A 53 -5.128 -10.197 -9.432 1.00 0.00 O ATOM 0 H SER A 53 -4.726 -12.988 -8.279 1.00 0.00 H new ATOM 0 HA SER A 53 -5.835 -12.204 -10.719 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.500 -11.383 -9.012 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.567 -10.760 -10.649 1.00 0.00 H new ATOM 0 HG SER A 53 -5.895 -10.216 -10.042 1.00 0.00 H new ATOM 794 N ASP A 54 -3.763 -12.390 -12.463 1.00 0.00 N ATOM 795 CA ASP A 54 -2.973 -12.914 -13.572 1.00 0.00 C ATOM 796 C ASP A 54 -1.657 -12.156 -13.707 1.00 0.00 C ATOM 797 O ASP A 54 -0.588 -12.759 -13.796 1.00 0.00 O ATOM 798 CB ASP A 54 -3.765 -12.823 -14.877 1.00 0.00 C ATOM 799 CG ASP A 54 -3.237 -13.765 -15.941 1.00 0.00 C ATOM 800 OD1 ASP A 54 -2.082 -13.579 -16.378 1.00 0.00 O ATOM 801 OD2 ASP A 54 -3.979 -14.688 -16.338 1.00 0.00 O ATOM 0 H ASP A 54 -4.088 -11.432 -12.592 1.00 0.00 H new ATOM 0 HA ASP A 54 -2.749 -13.960 -13.364 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -4.812 -13.052 -14.680 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -3.728 -11.800 -15.251 1.00 0.00 H new ATOM 806 N ASN A 55 -1.742 -10.830 -13.722 1.00 0.00 N ATOM 807 CA ASN A 55 -0.557 -9.989 -13.849 1.00 0.00 C ATOM 808 C ASN A 55 -0.837 -8.575 -13.347 1.00 0.00 C ATOM 809 O ASN A 55 -1.927 -8.286 -12.852 1.00 0.00 O ATOM 810 CB ASN A 55 -0.092 -9.943 -15.305 1.00 0.00 C ATOM 811 CG ASN A 55 -1.133 -9.337 -16.226 1.00 0.00 C ATOM 812 OD1 ASN A 55 -1.023 -8.179 -16.630 1.00 0.00 O ATOM 813 ND2 ASN A 55 -2.153 -10.119 -16.562 1.00 0.00 N ATOM 0 H ASN A 55 -2.619 -10.314 -13.648 1.00 0.00 H new ATOM 0 HA ASN A 55 0.233 -10.423 -13.236 1.00 0.00 H new ATOM 0 HB2 ASN A 55 0.829 -9.364 -15.371 1.00 0.00 H new ATOM 0 HB3 ASN A 55 0.142 -10.953 -15.641 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -2.885 -9.766 -17.178 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -2.204 -11.073 -16.204 1.00 0.00 H new ATOM 820 N ASP A 56 0.152 -7.699 -13.481 1.00 0.00 N ATOM 821 CA ASP A 56 0.012 -6.315 -13.043 1.00 0.00 C ATOM 822 C ASP A 56 -1.305 -5.721 -13.532 1.00 0.00 C ATOM 823 O ASP A 56 -1.816 -4.760 -12.956 1.00 0.00 O ATOM 824 CB ASP A 56 1.185 -5.476 -13.553 1.00 0.00 C ATOM 825 CG ASP A 56 1.225 -5.396 -15.067 1.00 0.00 C ATOM 826 OD1 ASP A 56 0.429 -4.624 -15.641 1.00 0.00 O ATOM 827 OD2 ASP A 56 2.051 -6.107 -15.677 1.00 0.00 O ATOM 0 H ASP A 56 1.060 -7.922 -13.889 1.00 0.00 H new ATOM 0 HA ASP A 56 0.013 -6.302 -11.953 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.114 -4.469 -13.141 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.119 -5.904 -13.190 1.00 0.00 H new ATOM 832 N SER A 57 -1.850 -6.299 -14.598 1.00 0.00 N ATOM 833 CA SER A 57 -3.105 -5.824 -15.167 1.00 0.00 C ATOM 834 C SER A 57 -4.192 -5.748 -14.099 1.00 0.00 C ATOM 835 O SER A 57 -5.224 -5.106 -14.293 1.00 0.00 O ATOM 836 CB SER A 57 -3.555 -6.745 -16.303 1.00 0.00 C ATOM 837 OG SER A 57 -4.855 -6.403 -16.752 1.00 0.00 O ATOM 0 H SER A 57 -1.442 -7.097 -15.085 1.00 0.00 H new ATOM 0 HA SER A 57 -2.939 -4.822 -15.564 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.851 -6.676 -17.132 1.00 0.00 H new ATOM 0 HB3 SER A 57 -3.545 -7.780 -15.962 1.00 0.00 H new ATOM 0 HG SER A 57 -5.119 -7.005 -17.479 1.00 0.00 H new ATOM 843 N ASP A 58 -3.950 -6.406 -12.971 1.00 0.00 N ATOM 844 CA ASP A 58 -4.907 -6.413 -11.870 1.00 0.00 C ATOM 845 C ASP A 58 -4.551 -5.351 -10.835 1.00 0.00 C ATOM 846 O ASP A 58 -5.403 -4.564 -10.420 1.00 0.00 O ATOM 847 CB ASP A 58 -4.947 -7.792 -11.210 1.00 0.00 C ATOM 848 CG ASP A 58 -5.633 -8.829 -12.078 1.00 0.00 C ATOM 849 OD1 ASP A 58 -5.439 -8.794 -13.310 1.00 0.00 O ATOM 850 OD2 ASP A 58 -6.366 -9.676 -11.524 1.00 0.00 O ATOM 0 H ASP A 58 -3.100 -6.941 -12.795 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.892 -6.184 -12.276 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.930 -8.118 -10.995 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.468 -7.720 -10.255 1.00 0.00 H new ATOM 855 N TYR A 59 -3.289 -5.334 -10.421 1.00 0.00 N ATOM 856 CA TYR A 59 -2.822 -4.371 -9.431 1.00 0.00 C ATOM 857 C TYR A 59 -3.539 -3.034 -9.592 1.00 0.00 C ATOM 858 O TYR A 59 -3.583 -2.466 -10.684 1.00 0.00 O ATOM 859 CB TYR A 59 -1.311 -4.170 -9.558 1.00 0.00 C ATOM 860 CG TYR A 59 -0.500 -5.116 -8.701 1.00 0.00 C ATOM 861 CD1 TYR A 59 -0.822 -5.322 -7.365 1.00 0.00 C ATOM 862 CD2 TYR A 59 0.587 -5.803 -9.226 1.00 0.00 C ATOM 863 CE1 TYR A 59 -0.084 -6.184 -6.577 1.00 0.00 C ATOM 864 CE2 TYR A 59 1.330 -6.668 -8.446 1.00 0.00 C ATOM 865 CZ TYR A 59 0.990 -6.855 -7.123 1.00 0.00 C ATOM 866 OH TYR A 59 1.728 -7.716 -6.342 1.00 0.00 O ATOM 0 H TYR A 59 -2.571 -5.976 -10.756 1.00 0.00 H new ATOM 0 HA TYR A 59 -3.047 -4.767 -8.441 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -1.022 -4.300 -10.601 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -1.065 -3.144 -9.284 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -1.664 -4.799 -6.935 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.856 -5.658 -10.262 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.347 -6.331 -5.540 1.00 0.00 H new ATOM 0 HE2 TYR A 59 2.172 -7.195 -8.870 1.00 0.00 H new ATOM 0 HH TYR A 59 2.448 -8.108 -6.878 1.00 0.00 H new ATOM 876 N LYS A 60 -4.100 -2.535 -8.495 1.00 0.00 N ATOM 877 CA LYS A 60 -4.814 -1.264 -8.511 1.00 0.00 C ATOM 878 C LYS A 60 -3.948 -0.147 -7.938 1.00 0.00 C ATOM 879 O LYS A 60 -2.777 -0.355 -7.622 1.00 0.00 O ATOM 880 CB LYS A 60 -6.115 -1.377 -7.712 1.00 0.00 C ATOM 881 CG LYS A 60 -7.238 -2.061 -8.472 1.00 0.00 C ATOM 882 CD LYS A 60 -8.236 -2.709 -7.527 1.00 0.00 C ATOM 883 CE LYS A 60 -7.773 -4.089 -7.088 1.00 0.00 C ATOM 884 NZ LYS A 60 -8.723 -4.712 -6.125 1.00 0.00 N ATOM 0 H LYS A 60 -4.074 -2.992 -7.584 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.051 -1.021 -9.547 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -5.920 -1.930 -6.793 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.440 -0.378 -7.420 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.750 -1.332 -9.100 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.821 -2.817 -9.137 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -8.374 -2.075 -6.651 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -9.205 -2.789 -8.019 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -7.668 -4.732 -7.962 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -6.788 -4.012 -6.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -8.598 -5.744 -6.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.537 -4.348 -5.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.699 -4.479 -6.400 1.00 0.00 H new ATOM 898 N LYS A 61 -4.533 1.039 -7.804 1.00 0.00 N ATOM 899 CA LYS A 61 -3.816 2.189 -7.267 1.00 0.00 C ATOM 900 C LYS A 61 -4.759 3.102 -6.489 1.00 0.00 C ATOM 901 O LYS A 61 -5.771 3.562 -7.018 1.00 0.00 O ATOM 902 CB LYS A 61 -3.148 2.974 -8.398 1.00 0.00 C ATOM 903 CG LYS A 61 -2.089 3.951 -7.917 1.00 0.00 C ATOM 904 CD LYS A 61 -1.387 4.630 -9.081 1.00 0.00 C ATOM 905 CE LYS A 61 -2.302 5.624 -9.780 1.00 0.00 C ATOM 906 NZ LYS A 61 -1.560 6.468 -10.757 1.00 0.00 N ATOM 0 H LYS A 61 -5.502 1.228 -8.060 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.049 1.821 -6.586 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -2.692 2.272 -9.096 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -3.912 3.522 -8.949 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -2.551 4.705 -7.280 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.356 3.423 -7.307 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.497 5.145 -8.720 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -1.053 3.877 -9.795 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -3.097 5.085 -10.296 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -2.779 6.263 -9.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.181 6.698 -11.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.253 7.347 -10.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.727 5.949 -11.102 1.00 0.00 H new ATOM 920 N ASP A 62 -4.419 3.362 -5.231 1.00 0.00 N ATOM 921 CA ASP A 62 -5.234 4.222 -4.381 1.00 0.00 C ATOM 922 C ASP A 62 -4.436 5.433 -3.910 1.00 0.00 C ATOM 923 O ASP A 62 -3.471 5.299 -3.158 1.00 0.00 O ATOM 924 CB ASP A 62 -5.754 3.438 -3.175 1.00 0.00 C ATOM 925 CG ASP A 62 -7.066 2.735 -3.463 1.00 0.00 C ATOM 926 OD1 ASP A 62 -7.691 3.048 -4.498 1.00 0.00 O ATOM 927 OD2 ASP A 62 -7.469 1.874 -2.654 1.00 0.00 O ATOM 0 H ASP A 62 -3.585 2.989 -4.778 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.082 4.574 -4.969 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.009 2.701 -2.876 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.887 4.118 -2.333 1.00 0.00 H new ATOM 932 N MET A 63 -4.845 6.616 -4.358 1.00 0.00 N ATOM 933 CA MET A 63 -4.167 7.851 -3.982 1.00 0.00 C ATOM 934 C MET A 63 -4.491 8.232 -2.540 1.00 0.00 C ATOM 935 O MET A 63 -5.647 8.185 -2.120 1.00 0.00 O ATOM 936 CB MET A 63 -4.571 8.987 -4.924 1.00 0.00 C ATOM 937 CG MET A 63 -3.511 10.067 -5.064 1.00 0.00 C ATOM 938 SD MET A 63 -4.212 11.686 -5.432 1.00 0.00 S ATOM 939 CE MET A 63 -4.365 12.371 -3.784 1.00 0.00 C ATOM 0 H MET A 63 -5.642 6.745 -4.981 1.00 0.00 H new ATOM 0 HA MET A 63 -3.093 7.685 -4.063 1.00 0.00 H new ATOM 0 HB2 MET A 63 -4.787 8.572 -5.908 1.00 0.00 H new ATOM 0 HB3 MET A 63 -5.493 9.440 -4.559 1.00 0.00 H new ATOM 0 HG2 MET A 63 -2.935 10.127 -4.141 1.00 0.00 H new ATOM 0 HG3 MET A 63 -2.816 9.788 -5.856 1.00 0.00 H new ATOM 0 HE1 MET A 63 -4.786 13.375 -3.845 1.00 0.00 H new ATOM 0 HE2 MET A 63 -5.021 11.738 -3.186 1.00 0.00 H new ATOM 0 HE3 MET A 63 -3.381 12.418 -3.317 1.00 0.00 H new ATOM 949 N VAL A 64 -3.462 8.607 -1.787 1.00 0.00 N ATOM 950 CA VAL A 64 -3.637 8.997 -0.393 1.00 0.00 C ATOM 951 C VAL A 64 -2.928 10.313 -0.096 1.00 0.00 C ATOM 952 O VAL A 64 -1.917 10.638 -0.718 1.00 0.00 O ATOM 953 CB VAL A 64 -3.105 7.913 0.563 1.00 0.00 C ATOM 954 CG1 VAL A 64 -3.446 8.258 2.005 1.00 0.00 C ATOM 955 CG2 VAL A 64 -3.665 6.549 0.187 1.00 0.00 C ATOM 0 H VAL A 64 -2.498 8.649 -2.119 1.00 0.00 H new ATOM 0 HA VAL A 64 -4.708 9.121 -0.231 1.00 0.00 H new ATOM 0 HB VAL A 64 -2.020 7.873 0.470 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -3.062 7.481 2.666 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.993 9.214 2.267 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -4.528 8.327 2.116 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -3.278 5.795 0.873 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -4.753 6.573 0.249 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.365 6.301 -0.831 1.00 0.00 H new ATOM 965 N GLU A 65 -3.466 11.067 0.857 1.00 0.00 N ATOM 966 CA GLU A 65 -2.884 12.349 1.236 1.00 0.00 C ATOM 967 C GLU A 65 -1.381 12.218 1.465 1.00 0.00 C ATOM 968 O GLU A 65 -0.894 11.165 1.875 1.00 0.00 O ATOM 969 CB GLU A 65 -3.558 12.888 2.499 1.00 0.00 C ATOM 970 CG GLU A 65 -5.020 12.492 2.625 1.00 0.00 C ATOM 971 CD GLU A 65 -5.791 12.689 1.334 1.00 0.00 C ATOM 972 OE1 GLU A 65 -6.159 13.845 1.034 1.00 0.00 O ATOM 973 OE2 GLU A 65 -6.026 11.690 0.624 1.00 0.00 O ATOM 0 H GLU A 65 -4.304 10.812 1.381 1.00 0.00 H new ATOM 0 HA GLU A 65 -3.050 13.050 0.418 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.016 12.526 3.373 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.483 13.975 2.505 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -5.085 11.447 2.927 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -5.485 13.081 3.415 1.00 0.00 H new ATOM 980 N GLY A 66 -0.650 13.296 1.197 1.00 0.00 N ATOM 981 CA GLY A 66 0.789 13.281 1.379 1.00 0.00 C ATOM 982 C GLY A 66 1.189 13.272 2.842 1.00 0.00 C ATOM 983 O GLY A 66 2.223 12.713 3.206 1.00 0.00 O ATOM 0 H GLY A 66 -1.029 14.180 0.857 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.205 12.402 0.886 1.00 0.00 H new ATOM 0 HA3 GLY A 66 1.223 14.155 0.892 1.00 0.00 H new ATOM 987 N ASP A 67 0.369 13.895 3.681 1.00 0.00 N ATOM 988 CA ASP A 67 0.642 13.957 5.112 1.00 0.00 C ATOM 989 C ASP A 67 0.176 12.684 5.810 1.00 0.00 C ATOM 990 O ASP A 67 0.493 12.452 6.977 1.00 0.00 O ATOM 991 CB ASP A 67 -0.046 15.175 5.732 1.00 0.00 C ATOM 992 CG ASP A 67 0.265 15.326 7.208 1.00 0.00 C ATOM 993 OD1 ASP A 67 1.274 15.984 7.538 1.00 0.00 O ATOM 994 OD2 ASP A 67 -0.502 14.787 8.033 1.00 0.00 O ATOM 0 H ASP A 67 -0.490 14.364 3.395 1.00 0.00 H new ATOM 0 HA ASP A 67 1.720 14.050 5.247 1.00 0.00 H new ATOM 0 HB2 ASP A 67 0.269 16.075 5.203 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.124 15.087 5.598 1.00 0.00 H new ATOM 999 N ARG A 68 -0.580 11.862 5.089 1.00 0.00 N ATOM 1000 CA ARG A 68 -1.092 10.614 5.640 1.00 0.00 C ATOM 1001 C ARG A 68 -0.098 9.476 5.426 1.00 0.00 C ATOM 1002 O ARG A 68 0.394 9.269 4.316 1.00 0.00 O ATOM 1003 CB ARG A 68 -2.434 10.260 4.997 1.00 0.00 C ATOM 1004 CG ARG A 68 -3.279 9.311 5.831 1.00 0.00 C ATOM 1005 CD ARG A 68 -4.079 10.059 6.886 1.00 0.00 C ATOM 1006 NE ARG A 68 -3.231 10.913 7.714 1.00 0.00 N ATOM 1007 CZ ARG A 68 -3.018 12.200 7.465 1.00 0.00 C ATOM 1008 NH1 ARG A 68 -3.589 12.780 6.418 1.00 0.00 N ATOM 1009 NH2 ARG A 68 -2.233 12.910 8.265 1.00 0.00 N ATOM 0 H ARG A 68 -0.851 12.039 4.122 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.235 10.752 6.712 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -2.997 11.177 4.824 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.252 9.809 4.022 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -3.958 8.760 5.181 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.634 8.577 6.314 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.841 10.668 6.399 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.601 9.343 7.520 1.00 0.00 H new ATOM 0 HE ARG A 68 -2.778 10.498 8.528 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.194 12.237 5.801 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -3.423 13.769 6.229 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -1.793 12.467 9.072 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -2.070 13.898 8.073 1.00 0.00 H new ATOM 1023 N TYR A 69 0.194 8.743 6.495 1.00 0.00 N ATOM 1024 CA TYR A 69 1.132 7.629 6.424 1.00 0.00 C ATOM 1025 C TYR A 69 0.421 6.303 6.676 1.00 0.00 C ATOM 1026 O TYR A 69 1.061 5.283 6.933 1.00 0.00 O ATOM 1027 CB TYR A 69 2.258 7.818 7.442 1.00 0.00 C ATOM 1028 CG TYR A 69 3.442 8.585 6.899 1.00 0.00 C ATOM 1029 CD1 TYR A 69 3.267 9.617 5.985 1.00 0.00 C ATOM 1030 CD2 TYR A 69 4.737 8.279 7.301 1.00 0.00 C ATOM 1031 CE1 TYR A 69 4.347 10.320 5.486 1.00 0.00 C ATOM 1032 CE2 TYR A 69 5.822 8.977 6.808 1.00 0.00 C ATOM 1033 CZ TYR A 69 5.622 9.997 5.901 1.00 0.00 C ATOM 1034 OH TYR A 69 6.700 10.695 5.407 1.00 0.00 O ATOM 0 H TYR A 69 -0.205 8.900 7.420 1.00 0.00 H new ATOM 0 HA TYR A 69 1.558 7.608 5.421 1.00 0.00 H new ATOM 0 HB2 TYR A 69 1.865 8.342 8.313 1.00 0.00 H new ATOM 0 HB3 TYR A 69 2.595 6.840 7.784 1.00 0.00 H new ATOM 0 HD1 TYR A 69 2.270 9.874 5.659 1.00 0.00 H new ATOM 0 HD2 TYR A 69 4.898 7.481 8.011 1.00 0.00 H new ATOM 0 HE1 TYR A 69 4.193 11.118 4.775 1.00 0.00 H new ATOM 0 HE2 TYR A 69 6.822 8.726 7.131 1.00 0.00 H new ATOM 0 HH TYR A 69 7.266 10.992 6.150 1.00 0.00 H new ATOM 1044 N TRP A 70 -0.904 6.325 6.598 1.00 0.00 N ATOM 1045 CA TRP A 70 -1.703 5.124 6.816 1.00 0.00 C ATOM 1046 C TRP A 70 -2.921 5.107 5.899 1.00 0.00 C ATOM 1047 O TRP A 70 -3.474 6.155 5.565 1.00 0.00 O ATOM 1048 CB TRP A 70 -2.148 5.042 8.277 1.00 0.00 C ATOM 1049 CG TRP A 70 -3.303 5.942 8.598 1.00 0.00 C ATOM 1050 CD1 TRP A 70 -3.246 7.166 9.199 1.00 0.00 C ATOM 1051 CD2 TRP A 70 -4.687 5.686 8.335 1.00 0.00 C ATOM 1052 NE1 TRP A 70 -4.511 7.687 9.327 1.00 0.00 N ATOM 1053 CE2 TRP A 70 -5.413 6.799 8.803 1.00 0.00 C ATOM 1054 CE3 TRP A 70 -5.384 4.627 7.748 1.00 0.00 C ATOM 1055 CZ2 TRP A 70 -6.799 6.880 8.703 1.00 0.00 C ATOM 1056 CZ3 TRP A 70 -6.760 4.708 7.650 1.00 0.00 C ATOM 1057 CH2 TRP A 70 -7.456 5.828 8.124 1.00 0.00 C ATOM 0 H TRP A 70 -1.448 7.161 6.385 1.00 0.00 H new ATOM 0 HA TRP A 70 -1.084 4.258 6.583 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -2.423 4.013 8.508 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -1.307 5.299 8.921 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -2.340 7.654 9.526 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -4.741 8.589 9.744 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -4.857 3.760 7.377 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -7.337 7.742 9.069 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -7.309 3.894 7.200 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -8.531 5.862 8.031 1.00 0.00 H new ATOM 1068 N HIS A 71 -3.334 3.910 5.494 1.00 0.00 N ATOM 1069 CA HIS A 71 -4.487 3.756 4.615 1.00 0.00 C ATOM 1070 C HIS A 71 -5.211 2.442 4.892 1.00 0.00 C ATOM 1071 O HIS A 71 -4.610 1.481 5.372 1.00 0.00 O ATOM 1072 CB HIS A 71 -4.051 3.812 3.151 1.00 0.00 C ATOM 1073 CG HIS A 71 -5.193 3.778 2.183 1.00 0.00 C ATOM 1074 ND1 HIS A 71 -6.107 4.804 2.061 1.00 0.00 N ATOM 1075 CD2 HIS A 71 -5.568 2.835 1.287 1.00 0.00 C ATOM 1076 CE1 HIS A 71 -6.994 4.493 1.133 1.00 0.00 C ATOM 1077 NE2 HIS A 71 -6.689 3.303 0.648 1.00 0.00 N ATOM 0 H HIS A 71 -2.887 3.033 5.761 1.00 0.00 H new ATOM 0 HA HIS A 71 -5.175 4.578 4.813 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -3.474 4.722 2.987 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -3.387 2.972 2.946 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -5.076 1.890 1.108 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -7.827 5.107 0.824 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -7.203 2.811 -0.083 1.00 0.00 H new ATOM 1086 N SER A 72 -6.504 2.408 4.587 1.00 0.00 N ATOM 1087 CA SER A 72 -7.310 1.213 4.808 1.00 0.00 C ATOM 1088 C SER A 72 -7.965 0.752 3.510 1.00 0.00 C ATOM 1089 O SER A 72 -8.932 1.355 3.042 1.00 0.00 O ATOM 1090 CB SER A 72 -8.382 1.483 5.866 1.00 0.00 C ATOM 1091 OG SER A 72 -9.252 2.524 5.456 1.00 0.00 O ATOM 0 H SER A 72 -7.016 3.194 4.186 1.00 0.00 H new ATOM 0 HA SER A 72 -6.651 0.421 5.163 1.00 0.00 H new ATOM 0 HB2 SER A 72 -8.957 0.574 6.046 1.00 0.00 H new ATOM 0 HB3 SER A 72 -7.907 1.752 6.809 1.00 0.00 H new ATOM 0 HG SER A 72 -9.467 2.415 4.506 1.00 0.00 H new ATOM 1097 N ILE A 73 -7.432 -0.320 2.933 1.00 0.00 N ATOM 1098 CA ILE A 73 -7.965 -0.862 1.690 1.00 0.00 C ATOM 1099 C ILE A 73 -9.313 -1.538 1.918 1.00 0.00 C ATOM 1100 O ILE A 73 -9.633 -1.947 3.034 1.00 0.00 O ATOM 1101 CB ILE A 73 -6.995 -1.878 1.057 1.00 0.00 C ATOM 1102 CG1 ILE A 73 -5.575 -1.310 1.029 1.00 0.00 C ATOM 1103 CG2 ILE A 73 -7.453 -2.243 -0.347 1.00 0.00 C ATOM 1104 CD1 ILE A 73 -4.523 -2.332 0.660 1.00 0.00 C ATOM 0 H ILE A 73 -6.632 -0.830 3.307 1.00 0.00 H new ATOM 0 HA ILE A 73 -8.093 -0.021 1.009 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.992 -2.783 1.664 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.536 -0.486 0.316 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.339 -0.895 2.009 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.758 -2.961 -0.781 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -8.449 -2.684 -0.302 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -7.481 -1.346 -0.965 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -3.541 -1.859 0.660 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.535 -3.145 1.386 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -4.734 -2.730 -0.333 1.00 0.00 H new ATOM 1116 N SER A 74 -10.099 -1.653 0.852 1.00 0.00 N ATOM 1117 CA SER A 74 -11.414 -2.278 0.936 1.00 0.00 C ATOM 1118 C SER A 74 -11.763 -2.987 -0.369 1.00 0.00 C ATOM 1119 O SER A 74 -10.985 -2.974 -1.323 1.00 0.00 O ATOM 1120 CB SER A 74 -12.480 -1.230 1.262 1.00 0.00 C ATOM 1121 OG SER A 74 -12.026 -0.333 2.260 1.00 0.00 O ATOM 0 H SER A 74 -9.848 -1.322 -0.079 1.00 0.00 H new ATOM 0 HA SER A 74 -11.387 -3.019 1.735 1.00 0.00 H new ATOM 0 HB2 SER A 74 -12.737 -0.675 0.360 1.00 0.00 H new ATOM 0 HB3 SER A 74 -13.390 -1.726 1.601 1.00 0.00 H new ATOM 0 HG SER A 74 -12.725 0.327 2.449 1.00 0.00 H new ATOM 1127 N HIS A 75 -12.939 -3.606 -0.403 1.00 0.00 N ATOM 1128 CA HIS A 75 -13.393 -4.320 -1.590 1.00 0.00 C ATOM 1129 C HIS A 75 -12.430 -5.449 -1.946 1.00 0.00 C ATOM 1130 O HIS A 75 -12.044 -5.607 -3.105 1.00 0.00 O ATOM 1131 CB HIS A 75 -13.527 -3.357 -2.770 1.00 0.00 C ATOM 1132 CG HIS A 75 -14.686 -2.416 -2.647 1.00 0.00 C ATOM 1133 ND1 HIS A 75 -15.943 -2.701 -3.136 1.00 0.00 N ATOM 1134 CD2 HIS A 75 -14.773 -1.189 -2.083 1.00 0.00 C ATOM 1135 CE1 HIS A 75 -16.752 -1.689 -2.881 1.00 0.00 C ATOM 1136 NE2 HIS A 75 -16.067 -0.758 -2.241 1.00 0.00 N ATOM 0 H HIS A 75 -13.594 -3.627 0.378 1.00 0.00 H new ATOM 0 HA HIS A 75 -14.369 -4.754 -1.372 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -12.608 -2.778 -2.862 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -13.634 -3.934 -3.689 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -13.973 -0.649 -1.598 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -17.796 -1.632 -3.150 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -16.439 0.135 -1.917 1.00 0.00 H new ATOM 1145 N LEU A 76 -12.045 -6.230 -0.943 1.00 0.00 N ATOM 1146 CA LEU A 76 -11.126 -7.344 -1.150 1.00 0.00 C ATOM 1147 C LEU A 76 -11.830 -8.679 -0.929 1.00 0.00 C ATOM 1148 O LEU A 76 -13.039 -8.723 -0.702 1.00 0.00 O ATOM 1149 CB LEU A 76 -9.928 -7.224 -0.207 1.00 0.00 C ATOM 1150 CG LEU A 76 -9.254 -5.853 -0.149 1.00 0.00 C ATOM 1151 CD1 LEU A 76 -8.572 -5.650 1.195 1.00 0.00 C ATOM 1152 CD2 LEU A 76 -8.253 -5.701 -1.285 1.00 0.00 C ATOM 0 H LEU A 76 -12.355 -6.113 0.022 1.00 0.00 H new ATOM 0 HA LEU A 76 -10.774 -7.306 -2.181 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -10.255 -7.489 0.799 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -9.182 -7.961 -0.504 1.00 0.00 H new ATOM 0 HG LEU A 76 -10.022 -5.088 -0.264 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -8.098 -4.669 1.218 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -9.313 -5.714 1.992 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.816 -6.422 1.340 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -7.783 -4.719 -1.227 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.489 -6.474 -1.203 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.769 -5.801 -2.240 1.00 0.00 H new ATOM 1164 N GLN A 77 -11.065 -9.764 -0.996 1.00 0.00 N ATOM 1165 CA GLN A 77 -11.616 -11.100 -0.801 1.00 0.00 C ATOM 1166 C GLN A 77 -11.378 -11.584 0.625 1.00 0.00 C ATOM 1167 O GLN A 77 -10.338 -11.323 1.230 1.00 0.00 O ATOM 1168 CB GLN A 77 -10.995 -12.081 -1.796 1.00 0.00 C ATOM 1169 CG GLN A 77 -11.157 -11.659 -3.248 1.00 0.00 C ATOM 1170 CD GLN A 77 -10.205 -12.387 -4.177 1.00 0.00 C ATOM 1171 OE1 GLN A 77 -9.673 -13.444 -3.835 1.00 0.00 O ATOM 1172 NE2 GLN A 77 -9.986 -11.825 -5.359 1.00 0.00 N ATOM 0 H GLN A 77 -10.063 -9.744 -1.184 1.00 0.00 H new ATOM 0 HA GLN A 77 -12.691 -11.051 -0.974 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -9.933 -12.188 -1.574 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -11.450 -13.062 -1.658 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -12.183 -11.847 -3.565 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -10.990 -10.585 -3.331 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -10.448 -10.948 -5.600 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -9.355 -12.270 -6.026 1.00 0.00 H new ATOM 1181 N PRO A 78 -12.363 -12.307 1.178 1.00 0.00 N ATOM 1182 CA PRO A 78 -12.284 -12.844 2.539 1.00 0.00 C ATOM 1183 C PRO A 78 -11.259 -13.967 2.661 1.00 0.00 C ATOM 1184 O PRO A 78 -11.016 -14.703 1.706 1.00 0.00 O ATOM 1185 CB PRO A 78 -13.696 -13.378 2.793 1.00 0.00 C ATOM 1186 CG PRO A 78 -14.236 -13.679 1.438 1.00 0.00 C ATOM 1187 CD PRO A 78 -13.631 -12.657 0.515 1.00 0.00 C ATOM 0 HA PRO A 78 -11.964 -12.089 3.257 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -13.675 -14.271 3.418 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -14.311 -12.641 3.310 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -13.971 -14.690 1.128 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -15.324 -13.617 1.429 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -13.464 -13.065 -0.482 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -14.278 -11.787 0.399 1.00 0.00 H new ATOM 1195 N GLU A 79 -10.662 -14.091 3.842 1.00 0.00 N ATOM 1196 CA GLU A 79 -9.663 -15.125 4.087 1.00 0.00 C ATOM 1197 C GLU A 79 -8.828 -15.382 2.836 1.00 0.00 C ATOM 1198 O GLU A 79 -8.536 -16.529 2.495 1.00 0.00 O ATOM 1199 CB GLU A 79 -10.339 -16.422 4.538 1.00 0.00 C ATOM 1200 CG GLU A 79 -11.699 -16.653 3.901 1.00 0.00 C ATOM 1201 CD GLU A 79 -12.266 -18.023 4.217 1.00 0.00 C ATOM 1202 OE1 GLU A 79 -12.918 -18.166 5.273 1.00 0.00 O ATOM 1203 OE2 GLU A 79 -12.058 -18.952 3.409 1.00 0.00 O ATOM 0 H GLU A 79 -10.852 -13.489 4.643 1.00 0.00 H new ATOM 0 HA GLU A 79 -9.001 -14.774 4.879 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -9.688 -17.263 4.300 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.453 -16.404 5.622 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -12.393 -15.888 4.248 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -11.614 -16.540 2.820 1.00 0.00 H new ATOM 1210 N THR A 80 -8.447 -14.306 2.155 1.00 0.00 N ATOM 1211 CA THR A 80 -7.648 -14.413 0.941 1.00 0.00 C ATOM 1212 C THR A 80 -6.243 -13.862 1.157 1.00 0.00 C ATOM 1213 O THR A 80 -6.057 -12.655 1.309 1.00 0.00 O ATOM 1214 CB THR A 80 -8.306 -13.665 -0.233 1.00 0.00 C ATOM 1215 OG1 THR A 80 -9.692 -14.012 -0.320 1.00 0.00 O ATOM 1216 CG2 THR A 80 -7.611 -13.998 -1.545 1.00 0.00 C ATOM 0 H THR A 80 -8.679 -13.350 2.424 1.00 0.00 H new ATOM 0 HA THR A 80 -7.586 -15.473 0.697 1.00 0.00 H new ATOM 0 HB THR A 80 -8.211 -12.594 -0.052 1.00 0.00 H new ATOM 0 HG1 THR A 80 -9.930 -14.597 0.429 1.00 0.00 H new ATOM 0 HG21 THR A 80 -8.093 -13.458 -2.360 1.00 0.00 H new ATOM 0 HG22 THR A 80 -6.563 -13.705 -1.486 1.00 0.00 H new ATOM 0 HG23 THR A 80 -7.678 -15.070 -1.731 1.00 0.00 H new ATOM 1224 N SER A 81 -5.257 -14.753 1.168 1.00 0.00 N ATOM 1225 CA SER A 81 -3.869 -14.355 1.369 1.00 0.00 C ATOM 1226 C SER A 81 -3.248 -13.872 0.061 1.00 0.00 C ATOM 1227 O SER A 81 -2.887 -14.673 -0.801 1.00 0.00 O ATOM 1228 CB SER A 81 -3.057 -15.524 1.931 1.00 0.00 C ATOM 1229 OG SER A 81 -1.956 -15.061 2.692 1.00 0.00 O ATOM 0 H SER A 81 -5.394 -15.756 1.040 1.00 0.00 H new ATOM 0 HA SER A 81 -3.852 -13.533 2.085 1.00 0.00 H new ATOM 0 HB2 SER A 81 -3.697 -16.149 2.554 1.00 0.00 H new ATOM 0 HB3 SER A 81 -2.700 -16.150 1.113 1.00 0.00 H new ATOM 0 HG SER A 81 -1.454 -15.827 3.041 1.00 0.00 H new ATOM 1235 N TYR A 82 -3.127 -12.557 -0.078 1.00 0.00 N ATOM 1236 CA TYR A 82 -2.552 -11.965 -1.280 1.00 0.00 C ATOM 1237 C TYR A 82 -1.466 -10.954 -0.924 1.00 0.00 C ATOM 1238 O TYR A 82 -1.478 -10.368 0.159 1.00 0.00 O ATOM 1239 CB TYR A 82 -3.642 -11.287 -2.111 1.00 0.00 C ATOM 1240 CG TYR A 82 -4.543 -10.380 -1.304 1.00 0.00 C ATOM 1241 CD1 TYR A 82 -4.082 -9.162 -0.821 1.00 0.00 C ATOM 1242 CD2 TYR A 82 -5.855 -10.741 -1.024 1.00 0.00 C ATOM 1243 CE1 TYR A 82 -4.901 -8.330 -0.083 1.00 0.00 C ATOM 1244 CE2 TYR A 82 -6.682 -9.915 -0.287 1.00 0.00 C ATOM 1245 CZ TYR A 82 -6.200 -8.711 0.181 1.00 0.00 C ATOM 1246 OH TYR A 82 -7.020 -7.885 0.916 1.00 0.00 O ATOM 0 H TYR A 82 -3.419 -11.880 0.627 1.00 0.00 H new ATOM 0 HA TYR A 82 -2.100 -12.764 -1.867 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -3.173 -10.706 -2.905 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -4.249 -12.053 -2.593 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -3.065 -8.860 -1.026 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -6.235 -11.684 -1.389 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -4.526 -7.386 0.285 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -7.700 -10.211 -0.079 1.00 0.00 H new ATOM 0 HH TYR A 82 -7.881 -8.328 1.065 1.00 0.00 H new ATOM 1256 N ASP A 83 -0.528 -10.755 -1.844 1.00 0.00 N ATOM 1257 CA ASP A 83 0.565 -9.814 -1.630 1.00 0.00 C ATOM 1258 C ASP A 83 0.057 -8.376 -1.658 1.00 0.00 C ATOM 1259 O ASP A 83 -0.935 -8.071 -2.320 1.00 0.00 O ATOM 1260 CB ASP A 83 1.648 -10.007 -2.693 1.00 0.00 C ATOM 1261 CG ASP A 83 2.369 -11.333 -2.550 1.00 0.00 C ATOM 1262 OD1 ASP A 83 1.740 -12.302 -2.077 1.00 0.00 O ATOM 1263 OD2 ASP A 83 3.563 -11.401 -2.912 1.00 0.00 O ATOM 0 H ASP A 83 -0.503 -11.233 -2.745 1.00 0.00 H new ATOM 0 HA ASP A 83 0.993 -10.010 -0.647 1.00 0.00 H new ATOM 0 HB2 ASP A 83 1.196 -9.947 -3.683 1.00 0.00 H new ATOM 0 HB3 ASP A 83 2.371 -9.194 -2.623 1.00 0.00 H new ATOM 1268 N ILE A 84 0.744 -7.497 -0.936 1.00 0.00 N ATOM 1269 CA ILE A 84 0.363 -6.092 -0.879 1.00 0.00 C ATOM 1270 C ILE A 84 1.590 -5.187 -0.910 1.00 0.00 C ATOM 1271 O ILE A 84 2.579 -5.438 -0.220 1.00 0.00 O ATOM 1272 CB ILE A 84 -0.457 -5.782 0.388 1.00 0.00 C ATOM 1273 CG1 ILE A 84 -1.708 -6.660 0.439 1.00 0.00 C ATOM 1274 CG2 ILE A 84 -0.835 -4.309 0.427 1.00 0.00 C ATOM 1275 CD1 ILE A 84 -2.212 -6.912 1.843 1.00 0.00 C ATOM 0 H ILE A 84 1.567 -7.734 -0.382 1.00 0.00 H new ATOM 0 HA ILE A 84 -0.252 -5.897 -1.758 1.00 0.00 H new ATOM 0 HB ILE A 84 0.155 -6.003 1.262 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -2.499 -6.186 -0.143 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -1.491 -7.616 -0.038 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.414 -4.106 1.328 1.00 0.00 H new ATOM 0 HG22 ILE A 84 0.070 -3.701 0.432 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.432 -4.063 -0.451 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -3.101 -7.541 1.803 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -1.438 -7.414 2.423 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -2.461 -5.962 2.316 1.00 0.00 H new ATOM 1287 N LYS A 85 1.520 -4.132 -1.715 1.00 0.00 N ATOM 1288 CA LYS A 85 2.624 -3.186 -1.835 1.00 0.00 C ATOM 1289 C LYS A 85 2.110 -1.791 -2.175 1.00 0.00 C ATOM 1290 O LYS A 85 0.958 -1.624 -2.576 1.00 0.00 O ATOM 1291 CB LYS A 85 3.608 -3.654 -2.909 1.00 0.00 C ATOM 1292 CG LYS A 85 3.204 -3.260 -4.319 1.00 0.00 C ATOM 1293 CD LYS A 85 4.281 -3.618 -5.329 1.00 0.00 C ATOM 1294 CE LYS A 85 4.105 -5.035 -5.852 1.00 0.00 C ATOM 1295 NZ LYS A 85 5.373 -5.582 -6.408 1.00 0.00 N ATOM 0 H LYS A 85 0.710 -3.910 -2.294 1.00 0.00 H new ATOM 0 HA LYS A 85 3.138 -3.141 -0.875 1.00 0.00 H new ATOM 0 HB2 LYS A 85 4.593 -3.239 -2.693 1.00 0.00 H new ATOM 0 HB3 LYS A 85 3.701 -4.739 -2.857 1.00 0.00 H new ATOM 0 HG2 LYS A 85 2.273 -3.761 -4.585 1.00 0.00 H new ATOM 0 HG3 LYS A 85 3.011 -2.188 -4.357 1.00 0.00 H new ATOM 0 HD2 LYS A 85 4.249 -2.915 -6.161 1.00 0.00 H new ATOM 0 HD3 LYS A 85 5.263 -3.519 -4.866 1.00 0.00 H new ATOM 0 HE2 LYS A 85 3.754 -5.679 -5.045 1.00 0.00 H new ATOM 0 HE3 LYS A 85 3.336 -5.044 -6.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 5.212 -6.549 -6.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 5.695 -4.982 -7.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 6.100 -5.597 -5.664 1.00 0.00 H new ATOM 1309 N MET A 86 2.971 -0.792 -2.013 1.00 0.00 N ATOM 1310 CA MET A 86 2.604 0.588 -2.305 1.00 0.00 C ATOM 1311 C MET A 86 3.810 1.377 -2.806 1.00 0.00 C ATOM 1312 O MET A 86 4.936 0.881 -2.791 1.00 0.00 O ATOM 1313 CB MET A 86 2.023 1.259 -1.059 1.00 0.00 C ATOM 1314 CG MET A 86 3.075 1.663 -0.040 1.00 0.00 C ATOM 1315 SD MET A 86 3.698 3.334 -0.308 1.00 0.00 S ATOM 1316 CE MET A 86 2.209 4.295 -0.051 1.00 0.00 C ATOM 0 H MET A 86 3.928 -0.913 -1.681 1.00 0.00 H new ATOM 0 HA MET A 86 1.847 0.578 -3.089 1.00 0.00 H new ATOM 0 HB2 MET A 86 1.463 2.144 -1.361 1.00 0.00 H new ATOM 0 HB3 MET A 86 1.314 0.579 -0.587 1.00 0.00 H new ATOM 0 HG2 MET A 86 2.650 1.594 0.961 1.00 0.00 H new ATOM 0 HG3 MET A 86 3.906 0.959 -0.083 1.00 0.00 H new ATOM 0 HE1 MET A 86 1.986 4.869 -0.951 1.00 0.00 H new ATOM 0 HE2 MET A 86 1.377 3.626 0.168 1.00 0.00 H new ATOM 0 HE3 MET A 86 2.356 4.977 0.787 1.00 0.00 H new ATOM 1326 N GLN A 87 3.566 2.606 -3.248 1.00 0.00 N ATOM 1327 CA GLN A 87 4.632 3.462 -3.754 1.00 0.00 C ATOM 1328 C GLN A 87 4.229 4.932 -3.687 1.00 0.00 C ATOM 1329 O GLN A 87 3.046 5.265 -3.766 1.00 0.00 O ATOM 1330 CB GLN A 87 4.981 3.081 -5.194 1.00 0.00 C ATOM 1331 CG GLN A 87 5.862 4.102 -5.897 1.00 0.00 C ATOM 1332 CD GLN A 87 5.873 3.925 -7.402 1.00 0.00 C ATOM 1333 OE1 GLN A 87 6.764 3.282 -7.957 1.00 0.00 O ATOM 1334 NE2 GLN A 87 4.879 4.496 -8.073 1.00 0.00 N ATOM 0 H GLN A 87 2.639 3.031 -3.266 1.00 0.00 H new ATOM 0 HA GLN A 87 5.510 3.316 -3.124 1.00 0.00 H new ATOM 0 HB2 GLN A 87 5.487 2.116 -5.193 1.00 0.00 H new ATOM 0 HB3 GLN A 87 4.059 2.957 -5.762 1.00 0.00 H new ATOM 0 HG2 GLN A 87 5.512 5.106 -5.656 1.00 0.00 H new ATOM 0 HG3 GLN A 87 6.881 4.020 -5.518 1.00 0.00 H new ATOM 0 HE21 GLN A 87 4.161 5.020 -7.573 1.00 0.00 H new ATOM 0 HE22 GLN A 87 4.834 4.410 -9.088 1.00 0.00 H new ATOM 1343 N CYS A 88 5.219 5.805 -3.542 1.00 0.00 N ATOM 1344 CA CYS A 88 4.968 7.240 -3.463 1.00 0.00 C ATOM 1345 C CYS A 88 5.254 7.916 -4.800 1.00 0.00 C ATOM 1346 O CYS A 88 5.831 7.310 -5.704 1.00 0.00 O ATOM 1347 CB CYS A 88 5.825 7.870 -2.365 1.00 0.00 C ATOM 1348 SG CYS A 88 7.483 8.348 -2.906 1.00 0.00 S ATOM 0 H CYS A 88 6.203 5.545 -3.477 1.00 0.00 H new ATOM 0 HA CYS A 88 3.916 7.387 -3.220 1.00 0.00 H new ATOM 0 HB2 CYS A 88 5.312 8.751 -1.979 1.00 0.00 H new ATOM 0 HB3 CYS A 88 5.913 7.165 -1.538 1.00 0.00 H new ATOM 0 HG CYS A 88 8.130 8.873 -1.908 1.00 0.00 H new ATOM 1354 N PHE A 89 4.847 9.175 -4.920 1.00 0.00 N ATOM 1355 CA PHE A 89 5.057 9.934 -6.147 1.00 0.00 C ATOM 1356 C PHE A 89 5.034 11.434 -5.871 1.00 0.00 C ATOM 1357 O PHE A 89 4.523 11.878 -4.843 1.00 0.00 O ATOM 1358 CB PHE A 89 3.988 9.578 -7.182 1.00 0.00 C ATOM 1359 CG PHE A 89 2.632 10.139 -6.860 1.00 0.00 C ATOM 1360 CD1 PHE A 89 1.968 9.760 -5.704 1.00 0.00 C ATOM 1361 CD2 PHE A 89 2.022 11.044 -7.713 1.00 0.00 C ATOM 1362 CE1 PHE A 89 0.720 10.275 -5.405 1.00 0.00 C ATOM 1363 CE2 PHE A 89 0.775 11.563 -7.419 1.00 0.00 C ATOM 1364 CZ PHE A 89 0.123 11.177 -6.264 1.00 0.00 C ATOM 0 H PHE A 89 4.369 9.692 -4.182 1.00 0.00 H new ATOM 0 HA PHE A 89 6.038 9.671 -6.543 1.00 0.00 H new ATOM 0 HB2 PHE A 89 4.302 9.946 -8.159 1.00 0.00 H new ATOM 0 HB3 PHE A 89 3.915 8.493 -7.259 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.430 9.055 -5.029 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.527 11.348 -8.618 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.213 9.972 -4.501 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.311 12.269 -8.091 1.00 0.00 H new ATOM 0 HZ PHE A 89 -0.852 11.580 -6.033 1.00 0.00 H new ATOM 1374 N ASN A 90 5.592 12.209 -6.795 1.00 0.00 N ATOM 1375 CA ASN A 90 5.636 13.660 -6.651 1.00 0.00 C ATOM 1376 C ASN A 90 5.665 14.341 -8.015 1.00 0.00 C ATOM 1377 O ASN A 90 5.905 13.697 -9.036 1.00 0.00 O ATOM 1378 CB ASN A 90 6.862 14.075 -5.835 1.00 0.00 C ATOM 1379 CG ASN A 90 7.094 15.573 -5.861 1.00 0.00 C ATOM 1380 OD1 ASN A 90 6.174 16.359 -5.631 1.00 0.00 O ATOM 1381 ND2 ASN A 90 8.327 15.976 -6.142 1.00 0.00 N ATOM 0 H ASN A 90 6.020 11.857 -7.651 1.00 0.00 H new ATOM 0 HA ASN A 90 4.734 13.976 -6.126 1.00 0.00 H new ATOM 0 HB2 ASN A 90 6.736 13.748 -4.803 1.00 0.00 H new ATOM 0 HB3 ASN A 90 7.744 13.567 -6.225 1.00 0.00 H new ATOM 0 HD21 ASN A 90 8.543 16.972 -6.174 1.00 0.00 H new ATOM 0 HD22 ASN A 90 9.058 15.289 -6.326 1.00 0.00 H new ATOM 1388 N GLU A 91 5.420 15.648 -8.024 1.00 0.00 N ATOM 1389 CA GLU A 91 5.418 16.416 -9.263 1.00 0.00 C ATOM 1390 C GLU A 91 6.483 15.899 -10.226 1.00 0.00 C ATOM 1391 O GLU A 91 6.272 15.853 -11.437 1.00 0.00 O ATOM 1392 CB GLU A 91 5.657 17.899 -8.970 1.00 0.00 C ATOM 1393 CG GLU A 91 5.487 18.794 -10.186 1.00 0.00 C ATOM 1394 CD GLU A 91 5.350 20.259 -9.817 1.00 0.00 C ATOM 1395 OE1 GLU A 91 6.392 20.921 -9.627 1.00 0.00 O ATOM 1396 OE2 GLU A 91 4.203 20.742 -9.719 1.00 0.00 O ATOM 0 H GLU A 91 5.221 16.196 -7.187 1.00 0.00 H new ATOM 0 HA GLU A 91 4.441 16.298 -9.732 1.00 0.00 H new ATOM 0 HB2 GLU A 91 4.966 18.223 -8.191 1.00 0.00 H new ATOM 0 HB3 GLU A 91 6.665 18.025 -8.575 1.00 0.00 H new ATOM 0 HG2 GLU A 91 6.344 18.668 -10.848 1.00 0.00 H new ATOM 0 HG3 GLU A 91 4.605 18.479 -10.744 1.00 0.00 H new ATOM 1403 N GLY A 92 7.630 15.510 -9.677 1.00 0.00 N ATOM 1404 CA GLY A 92 8.712 15.002 -10.500 1.00 0.00 C ATOM 1405 C GLY A 92 8.390 13.653 -11.112 1.00 0.00 C ATOM 1406 O GLY A 92 8.358 13.509 -12.334 1.00 0.00 O ATOM 0 H GLY A 92 7.829 15.538 -8.677 1.00 0.00 H new ATOM 0 HA2 GLY A 92 8.926 15.716 -11.295 1.00 0.00 H new ATOM 0 HA3 GLY A 92 9.615 14.917 -9.896 1.00 0.00 H new ATOM 1410 N GLY A 93 8.152 12.659 -10.261 1.00 0.00 N ATOM 1411 CA GLY A 93 7.836 11.328 -10.744 1.00 0.00 C ATOM 1412 C GLY A 93 7.672 10.326 -9.618 1.00 0.00 C ATOM 1413 O GLY A 93 7.990 10.621 -8.467 1.00 0.00 O ATOM 0 H GLY A 93 8.173 12.752 -9.245 1.00 0.00 H new ATOM 0 HA2 GLY A 93 6.917 11.366 -11.329 1.00 0.00 H new ATOM 0 HA3 GLY A 93 8.627 10.991 -11.414 1.00 0.00 H new ATOM 1417 N GLU A 94 7.173 9.140 -9.952 1.00 0.00 N ATOM 1418 CA GLU A 94 6.965 8.093 -8.958 1.00 0.00 C ATOM 1419 C GLU A 94 8.297 7.598 -8.403 1.00 0.00 C ATOM 1420 O GLU A 94 9.330 7.687 -9.066 1.00 0.00 O ATOM 1421 CB GLU A 94 6.189 6.925 -9.570 1.00 0.00 C ATOM 1422 CG GLU A 94 4.705 7.204 -9.744 1.00 0.00 C ATOM 1423 CD GLU A 94 4.052 6.280 -10.753 1.00 0.00 C ATOM 1424 OE1 GLU A 94 4.544 6.208 -11.898 1.00 0.00 O ATOM 1425 OE2 GLU A 94 3.048 5.628 -10.397 1.00 0.00 O ATOM 0 H GLU A 94 6.906 8.880 -10.901 1.00 0.00 H new ATOM 0 HA GLU A 94 6.384 8.516 -8.138 1.00 0.00 H new ATOM 0 HB2 GLU A 94 6.621 6.682 -10.541 1.00 0.00 H new ATOM 0 HB3 GLU A 94 6.313 6.046 -8.937 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.204 7.097 -8.782 1.00 0.00 H new ATOM 0 HG3 GLU A 94 4.568 8.238 -10.062 1.00 0.00 H new ATOM 1432 N SER A 95 8.264 7.076 -7.181 1.00 0.00 N ATOM 1433 CA SER A 95 9.469 6.570 -6.533 1.00 0.00 C ATOM 1434 C SER A 95 9.594 5.061 -6.721 1.00 0.00 C ATOM 1435 O SER A 95 8.795 4.445 -7.426 1.00 0.00 O ATOM 1436 CB SER A 95 9.453 6.910 -5.042 1.00 0.00 C ATOM 1437 OG SER A 95 10.562 6.332 -4.375 1.00 0.00 O ATOM 0 H SER A 95 7.416 6.992 -6.620 1.00 0.00 H new ATOM 0 HA SER A 95 10.330 7.049 -6.998 1.00 0.00 H new ATOM 0 HB2 SER A 95 9.470 7.992 -4.912 1.00 0.00 H new ATOM 0 HB3 SER A 95 8.527 6.550 -4.594 1.00 0.00 H new ATOM 0 HG SER A 95 11.005 7.013 -3.826 1.00 0.00 H new ATOM 1443 N GLU A 96 10.602 4.473 -6.085 1.00 0.00 N ATOM 1444 CA GLU A 96 10.833 3.037 -6.183 1.00 0.00 C ATOM 1445 C GLU A 96 9.659 2.256 -5.598 1.00 0.00 C ATOM 1446 O GLU A 96 8.839 2.805 -4.861 1.00 0.00 O ATOM 1447 CB GLU A 96 12.125 2.654 -5.458 1.00 0.00 C ATOM 1448 CG GLU A 96 13.338 3.444 -5.920 1.00 0.00 C ATOM 1449 CD GLU A 96 14.574 3.154 -5.090 1.00 0.00 C ATOM 1450 OE1 GLU A 96 14.991 1.978 -5.039 1.00 0.00 O ATOM 1451 OE2 GLU A 96 15.123 4.102 -4.491 1.00 0.00 O ATOM 0 H GLU A 96 11.272 4.969 -5.497 1.00 0.00 H new ATOM 0 HA GLU A 96 10.928 2.782 -7.239 1.00 0.00 H new ATOM 0 HB2 GLU A 96 11.990 2.805 -4.387 1.00 0.00 H new ATOM 0 HB3 GLU A 96 12.315 1.591 -5.608 1.00 0.00 H new ATOM 0 HG2 GLU A 96 13.543 3.210 -6.965 1.00 0.00 H new ATOM 0 HG3 GLU A 96 13.113 4.509 -5.870 1.00 0.00 H new ATOM 1458 N PHE A 97 9.584 0.972 -5.932 1.00 0.00 N ATOM 1459 CA PHE A 97 8.510 0.116 -5.442 1.00 0.00 C ATOM 1460 C PHE A 97 8.814 -0.385 -4.033 1.00 0.00 C ATOM 1461 O PHE A 97 9.899 -0.903 -3.767 1.00 0.00 O ATOM 1462 CB PHE A 97 8.306 -1.072 -6.385 1.00 0.00 C ATOM 1463 CG PHE A 97 7.375 -0.778 -7.526 1.00 0.00 C ATOM 1464 CD1 PHE A 97 7.653 0.243 -8.420 1.00 0.00 C ATOM 1465 CD2 PHE A 97 6.220 -1.523 -7.704 1.00 0.00 C ATOM 1466 CE1 PHE A 97 6.798 0.515 -9.472 1.00 0.00 C ATOM 1467 CE2 PHE A 97 5.361 -1.255 -8.753 1.00 0.00 C ATOM 1468 CZ PHE A 97 5.650 -0.234 -9.638 1.00 0.00 C ATOM 0 H PHE A 97 10.254 0.501 -6.540 1.00 0.00 H new ATOM 0 HA PHE A 97 7.594 0.707 -5.409 1.00 0.00 H new ATOM 0 HB2 PHE A 97 9.273 -1.378 -6.785 1.00 0.00 H new ATOM 0 HB3 PHE A 97 7.915 -1.915 -5.815 1.00 0.00 H new ATOM 0 HD1 PHE A 97 8.548 0.834 -8.294 1.00 0.00 H new ATOM 0 HD2 PHE A 97 5.989 -2.322 -7.015 1.00 0.00 H new ATOM 0 HE1 PHE A 97 7.028 1.312 -10.163 1.00 0.00 H new ATOM 0 HE2 PHE A 97 4.464 -1.843 -8.881 1.00 0.00 H new ATOM 0 HZ PHE A 97 4.979 -0.022 -10.458 1.00 0.00 H new ATOM 1478 N SER A 98 7.848 -0.226 -3.134 1.00 0.00 N ATOM 1479 CA SER A 98 8.013 -0.658 -1.751 1.00 0.00 C ATOM 1480 C SER A 98 8.143 -2.176 -1.668 1.00 0.00 C ATOM 1481 O SER A 98 8.124 -2.868 -2.684 1.00 0.00 O ATOM 1482 CB SER A 98 6.828 -0.189 -0.904 1.00 0.00 C ATOM 1483 OG SER A 98 5.724 -1.066 -1.041 1.00 0.00 O ATOM 0 H SER A 98 6.943 0.199 -3.338 1.00 0.00 H new ATOM 0 HA SER A 98 8.928 -0.211 -1.363 1.00 0.00 H new ATOM 0 HB2 SER A 98 7.125 -0.134 0.143 1.00 0.00 H new ATOM 0 HB3 SER A 98 6.537 0.817 -1.206 1.00 0.00 H new ATOM 0 HG SER A 98 5.149 -0.995 -0.250 1.00 0.00 H new ATOM 1489 N ASN A 99 8.276 -2.685 -0.447 1.00 0.00 N ATOM 1490 CA ASN A 99 8.410 -4.121 -0.229 1.00 0.00 C ATOM 1491 C ASN A 99 7.074 -4.830 -0.433 1.00 0.00 C ATOM 1492 O ASN A 99 6.044 -4.188 -0.644 1.00 0.00 O ATOM 1493 CB ASN A 99 8.936 -4.397 1.181 1.00 0.00 C ATOM 1494 CG ASN A 99 8.299 -3.498 2.222 1.00 0.00 C ATOM 1495 OD1 ASN A 99 8.550 -2.293 2.255 1.00 0.00 O ATOM 1496 ND2 ASN A 99 7.469 -4.081 3.079 1.00 0.00 N ATOM 0 H ASN A 99 8.294 -2.125 0.405 1.00 0.00 H new ATOM 0 HA ASN A 99 9.122 -4.509 -0.958 1.00 0.00 H new ATOM 0 HB2 ASN A 99 8.746 -5.439 1.439 1.00 0.00 H new ATOM 0 HB3 ASN A 99 10.017 -4.257 1.196 1.00 0.00 H new ATOM 0 HD21 ASN A 99 7.010 -3.527 3.802 1.00 0.00 H new ATOM 0 HD22 ASN A 99 7.290 -5.083 3.014 1.00 0.00 H new ATOM 1503 N VAL A 100 7.098 -6.157 -0.369 1.00 0.00 N ATOM 1504 CA VAL A 100 5.890 -6.953 -0.545 1.00 0.00 C ATOM 1505 C VAL A 100 5.443 -7.573 0.774 1.00 0.00 C ATOM 1506 O VAL A 100 6.087 -8.485 1.292 1.00 0.00 O ATOM 1507 CB VAL A 100 6.101 -8.074 -1.581 1.00 0.00 C ATOM 1508 CG1 VAL A 100 4.810 -8.845 -1.805 1.00 0.00 C ATOM 1509 CG2 VAL A 100 6.622 -7.498 -2.889 1.00 0.00 C ATOM 0 H VAL A 100 7.942 -6.704 -0.196 1.00 0.00 H new ATOM 0 HA VAL A 100 5.116 -6.276 -0.906 1.00 0.00 H new ATOM 0 HB VAL A 100 6.847 -8.768 -1.193 1.00 0.00 H new ATOM 0 HG11 VAL A 100 4.979 -9.632 -2.540 1.00 0.00 H new ATOM 0 HG12 VAL A 100 4.484 -9.290 -0.865 1.00 0.00 H new ATOM 0 HG13 VAL A 100 4.040 -8.166 -2.171 1.00 0.00 H new ATOM 0 HG21 VAL A 100 6.766 -8.303 -3.610 1.00 0.00 H new ATOM 0 HG22 VAL A 100 5.901 -6.782 -3.284 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.573 -6.996 -2.712 1.00 0.00 H new ATOM 1519 N MET A 101 4.337 -7.072 1.313 1.00 0.00 N ATOM 1520 CA MET A 101 3.803 -7.578 2.572 1.00 0.00 C ATOM 1521 C MET A 101 2.561 -8.432 2.332 1.00 0.00 C ATOM 1522 O MET A 101 1.648 -8.027 1.613 1.00 0.00 O ATOM 1523 CB MET A 101 3.465 -6.418 3.510 1.00 0.00 C ATOM 1524 CG MET A 101 4.671 -5.579 3.898 1.00 0.00 C ATOM 1525 SD MET A 101 5.779 -6.438 5.032 1.00 0.00 S ATOM 1526 CE MET A 101 5.069 -5.979 6.612 1.00 0.00 C ATOM 0 H MET A 101 3.793 -6.316 0.898 1.00 0.00 H new ATOM 0 HA MET A 101 4.567 -8.201 3.037 1.00 0.00 H new ATOM 0 HB2 MET A 101 2.726 -5.777 3.030 1.00 0.00 H new ATOM 0 HB3 MET A 101 3.003 -6.815 4.414 1.00 0.00 H new ATOM 0 HG2 MET A 101 5.221 -5.303 2.998 1.00 0.00 H new ATOM 0 HG3 MET A 101 4.331 -4.653 4.361 1.00 0.00 H new ATOM 0 HE1 MET A 101 5.857 -5.621 7.275 1.00 0.00 H new ATOM 0 HE2 MET A 101 4.333 -5.189 6.464 1.00 0.00 H new ATOM 0 HE3 MET A 101 4.585 -6.847 7.059 1.00 0.00 H new ATOM 1536 N ILE A 102 2.536 -9.614 2.938 1.00 0.00 N ATOM 1537 CA ILE A 102 1.406 -10.524 2.790 1.00 0.00 C ATOM 1538 C ILE A 102 0.454 -10.415 3.976 1.00 0.00 C ATOM 1539 O ILE A 102 0.703 -10.985 5.039 1.00 0.00 O ATOM 1540 CB ILE A 102 1.874 -11.985 2.653 1.00 0.00 C ATOM 1541 CG1 ILE A 102 2.740 -12.151 1.403 1.00 0.00 C ATOM 1542 CG2 ILE A 102 0.676 -12.921 2.603 1.00 0.00 C ATOM 1543 CD1 ILE A 102 3.509 -13.453 1.370 1.00 0.00 C ATOM 0 H ILE A 102 3.285 -9.964 3.536 1.00 0.00 H new ATOM 0 HA ILE A 102 0.883 -10.232 1.879 1.00 0.00 H new ATOM 0 HB ILE A 102 2.476 -12.242 3.525 1.00 0.00 H new ATOM 0 HG12 ILE A 102 2.104 -12.091 0.520 1.00 0.00 H new ATOM 0 HG13 ILE A 102 3.444 -11.321 1.346 1.00 0.00 H new ATOM 0 HG21 ILE A 102 1.022 -13.950 2.506 1.00 0.00 H new ATOM 0 HG22 ILE A 102 0.095 -12.818 3.520 1.00 0.00 H new ATOM 0 HG23 ILE A 102 0.051 -12.666 1.747 1.00 0.00 H new ATOM 0 HD11 ILE A 102 4.101 -13.503 0.456 1.00 0.00 H new ATOM 0 HD12 ILE A 102 4.171 -13.507 2.234 1.00 0.00 H new ATOM 0 HD13 ILE A 102 2.810 -14.289 1.396 1.00 0.00 H new ATOM 1555 N CYS A 103 -0.637 -9.682 3.786 1.00 0.00 N ATOM 1556 CA CYS A 103 -1.628 -9.499 4.840 1.00 0.00 C ATOM 1557 C CYS A 103 -2.888 -10.307 4.548 1.00 0.00 C ATOM 1558 O CYS A 103 -3.692 -9.934 3.695 1.00 0.00 O ATOM 1559 CB CYS A 103 -1.981 -8.018 4.986 1.00 0.00 C ATOM 1560 SG CYS A 103 -2.807 -7.605 6.541 1.00 0.00 S ATOM 0 H CYS A 103 -0.858 -9.205 2.912 1.00 0.00 H new ATOM 0 HA CYS A 103 -1.197 -9.856 5.775 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -1.068 -7.428 4.904 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -2.625 -7.726 4.156 1.00 0.00 H new ATOM 0 HG CYS A 103 -4.087 -7.505 6.339 1.00 0.00 H new ATOM 1566 N GLU A 104 -3.051 -11.417 5.261 1.00 0.00 N ATOM 1567 CA GLU A 104 -4.212 -12.280 5.076 1.00 0.00 C ATOM 1568 C GLU A 104 -5.464 -11.644 5.674 1.00 0.00 C ATOM 1569 O GLU A 104 -5.492 -11.291 6.854 1.00 0.00 O ATOM 1570 CB GLU A 104 -3.966 -13.648 5.715 1.00 0.00 C ATOM 1571 CG GLU A 104 -4.812 -14.760 5.118 1.00 0.00 C ATOM 1572 CD GLU A 104 -5.081 -15.882 6.102 1.00 0.00 C ATOM 1573 OE1 GLU A 104 -5.124 -15.606 7.319 1.00 0.00 O ATOM 1574 OE2 GLU A 104 -5.247 -17.036 5.654 1.00 0.00 O ATOM 0 H GLU A 104 -2.394 -11.740 5.972 1.00 0.00 H new ATOM 0 HA GLU A 104 -4.368 -12.411 4.005 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -2.913 -13.906 5.606 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -4.169 -13.582 6.784 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -5.761 -14.346 4.777 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -4.307 -15.165 4.241 1.00 0.00 H new ATOM 1581 N THR A 105 -6.498 -11.500 4.852 1.00 0.00 N ATOM 1582 CA THR A 105 -7.752 -10.905 5.298 1.00 0.00 C ATOM 1583 C THR A 105 -8.443 -11.789 6.330 1.00 0.00 C ATOM 1584 O THR A 105 -7.947 -12.861 6.677 1.00 0.00 O ATOM 1585 CB THR A 105 -8.712 -10.667 4.117 1.00 0.00 C ATOM 1586 OG1 THR A 105 -8.654 -11.772 3.208 1.00 0.00 O ATOM 1587 CG2 THR A 105 -8.359 -9.381 3.385 1.00 0.00 C ATOM 0 H THR A 105 -6.492 -11.787 3.873 1.00 0.00 H new ATOM 0 HA THR A 105 -7.503 -9.946 5.753 1.00 0.00 H new ATOM 0 HB THR A 105 -9.724 -10.576 4.512 1.00 0.00 H new ATOM 0 HG1 THR A 105 -9.096 -11.528 2.368 1.00 0.00 H new ATOM 0 HG21 THR A 105 -9.050 -9.233 2.555 1.00 0.00 H new ATOM 0 HG22 THR A 105 -8.433 -8.539 4.073 1.00 0.00 H new ATOM 0 HG23 THR A 105 -7.341 -9.448 3.002 1.00 0.00 H new ATOM 1595 N LYS A 106 -9.593 -11.334 6.817 1.00 0.00 N ATOM 1596 CA LYS A 106 -10.355 -12.084 7.808 1.00 0.00 C ATOM 1597 C LYS A 106 -11.374 -12.997 7.134 1.00 0.00 C ATOM 1598 O LYS A 106 -11.824 -12.725 6.022 1.00 0.00 O ATOM 1599 CB LYS A 106 -11.067 -11.126 8.766 1.00 0.00 C ATOM 1600 CG LYS A 106 -10.142 -10.487 9.787 1.00 0.00 C ATOM 1601 CD LYS A 106 -10.872 -10.177 11.083 1.00 0.00 C ATOM 1602 CE LYS A 106 -10.182 -9.064 11.858 1.00 0.00 C ATOM 1603 NZ LYS A 106 -10.394 -9.197 13.326 1.00 0.00 N ATOM 0 H LYS A 106 -10.018 -10.449 6.541 1.00 0.00 H new ATOM 0 HA LYS A 106 -9.658 -12.702 8.374 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -11.553 -10.341 8.187 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -11.854 -11.668 9.290 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -9.306 -11.156 9.990 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -9.723 -9.569 9.375 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -11.899 -9.886 10.863 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -10.920 -11.075 11.699 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -9.114 -9.080 11.642 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -10.561 -8.099 11.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -9.909 -8.420 13.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -11.412 -9.157 13.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -10.010 -10.107 13.651 1.00 0.00 H new ATOM 1617 N ALA A 107 -11.734 -14.079 7.816 1.00 0.00 N ATOM 1618 CA ALA A 107 -12.703 -15.030 7.284 1.00 0.00 C ATOM 1619 C ALA A 107 -14.105 -14.430 7.260 1.00 0.00 C ATOM 1620 O ALA A 107 -14.561 -13.856 8.249 1.00 0.00 O ATOM 1621 CB ALA A 107 -12.689 -16.312 8.104 1.00 0.00 C ATOM 0 H ALA A 107 -11.369 -14.319 8.738 1.00 0.00 H new ATOM 0 HA ALA A 107 -12.419 -15.265 6.258 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -13.417 -17.013 7.696 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -11.695 -16.758 8.065 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -12.945 -16.085 9.139 1.00 0.00 H new ATOM 1627 N ARG A 108 -14.782 -14.566 6.125 1.00 0.00 N ATOM 1628 CA ARG A 108 -16.131 -14.036 5.972 1.00 0.00 C ATOM 1629 C ARG A 108 -17.104 -14.746 6.909 1.00 0.00 C ATOM 1630 O ARG A 108 -17.565 -15.851 6.620 1.00 0.00 O ATOM 1631 CB ARG A 108 -16.600 -14.185 4.524 1.00 0.00 C ATOM 1632 CG ARG A 108 -16.385 -15.578 3.954 1.00 0.00 C ATOM 1633 CD ARG A 108 -17.423 -15.913 2.895 1.00 0.00 C ATOM 1634 NE ARG A 108 -17.060 -15.380 1.585 1.00 0.00 N ATOM 1635 CZ ARG A 108 -16.040 -15.833 0.864 1.00 0.00 C ATOM 1636 NH1 ARG A 108 -15.287 -16.823 1.323 1.00 0.00 N ATOM 1637 NH2 ARG A 108 -15.773 -15.296 -0.320 1.00 0.00 N ATOM 0 H ARG A 108 -14.418 -15.039 5.298 1.00 0.00 H new ATOM 0 HA ARG A 108 -16.110 -12.978 6.232 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -17.660 -13.938 4.467 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -16.071 -13.462 3.903 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -15.387 -15.645 3.521 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -16.434 -16.313 4.758 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -17.536 -16.995 2.828 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -18.390 -15.510 3.195 1.00 0.00 H new ATOM 0 HE ARG A 108 -17.620 -14.618 1.202 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -15.490 -17.239 2.232 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -14.505 -17.169 0.767 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -16.351 -14.535 -0.677 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -14.990 -15.644 -0.873 1.00 0.00 H new