USER MOD reduce.3.24.130724 H: found=0, std=0, add=776, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 777 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 43 LYS NZ :NH3+ -153:sc= 2.34 (180deg=0.471) USER MOD Set 1.2: A 44 THR OG1 : rot -120:sc= 0.0283 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.0565 USER MOD Single : A 22 GLN : amide:sc= 0.0249 X(o=0.025,f=-0.064) USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ -162:sc= 1.15 (180deg=0.351) USER MOD Single : A 33 HIS : no HE2:sc= 1.11 K(o=1.1,f=-4.1!) USER MOD Single : A 35 THR OG1 : rot 82:sc= 0.913 USER MOD Single : A 36 HIS : no HD1:sc= -0.0175 X(o=-0.017,f=-0.055) USER MOD Single : A 46 ASN : amide:sc= 0.0178 K(o=0.018,f=-2.5!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -163:sc= -0.142 (180deg=-0.47) USER MOD Single : A 58 THR OG1 : rot 70:sc= 0.602 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 74:sc= 1.19 USER MOD Single : A 70 TYR OH : rot -118:sc= 0.607 USER MOD Single : A 72 GLN : amide:sc= -0.25 K(o=-0.25,f=-0.77) USER MOD Single : A 76 LYS NZ :NH3+ 168:sc= -0.0127 (180deg=-0.173) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN : amide:sc= 1.19 K(o=1.2,f=0) USER MOD Single : A 94 THR OG1 : rot 94:sc= 1.29 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00435) USER MOD Single : A 106 GLN :FLIP amide:sc= -0.393 F(o=-2.1!,f=-0.39) USER MOD Single : A 107 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0363) USER MOD Single : A 110 GLN : amide:sc= -0.775 X(o=-0.78,f=-0.86) USER MOD Single : A 112 SER OG : rot 36:sc= 0.205 USER MOD ----------------------------------------------------------------- ATOM 31 N ALA A 20 11.889 6.940 -1.933 1.00 0.00 N ATOM 32 CA ALA A 20 11.147 5.705 -1.794 1.00 0.00 C ATOM 33 C ALA A 20 9.836 5.937 -1.037 1.00 0.00 C ATOM 34 O ALA A 20 8.799 5.370 -1.370 1.00 0.00 O ATOM 35 CB ALA A 20 12.004 4.654 -1.127 1.00 0.00 C ATOM 0 HA ALA A 20 10.883 5.339 -2.786 1.00 0.00 H new ATOM 0 HB1 ALA A 20 11.435 3.730 -1.028 1.00 0.00 H new ATOM 0 HB2 ALA A 20 12.892 4.471 -1.732 1.00 0.00 H new ATOM 0 HB3 ALA A 20 12.304 5.003 -0.139 1.00 0.00 H new ATOM 41 N THR A 21 9.895 6.805 -0.044 1.00 0.00 N ATOM 42 CA THR A 21 8.744 7.172 0.754 1.00 0.00 C ATOM 43 C THR A 21 7.726 7.912 -0.130 1.00 0.00 C ATOM 44 O THR A 21 6.525 7.673 -0.061 1.00 0.00 O ATOM 45 CB THR A 21 9.204 8.123 1.850 1.00 0.00 C ATOM 46 OG1 THR A 21 10.505 7.697 2.313 1.00 0.00 O ATOM 47 CG2 THR A 21 8.226 8.120 3.018 1.00 0.00 C ATOM 0 H THR A 21 10.754 7.279 0.233 1.00 0.00 H new ATOM 0 HA THR A 21 8.288 6.278 1.180 1.00 0.00 H new ATOM 0 HB THR A 21 9.252 9.135 1.447 1.00 0.00 H new ATOM 0 HG1 THR A 21 10.815 8.302 3.019 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.577 8.807 3.788 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.243 8.436 2.670 1.00 0.00 H new ATOM 0 HG23 THR A 21 8.158 7.114 3.433 1.00 0.00 H new ATOM 55 N GLN A 22 8.248 8.782 -0.987 1.00 0.00 N ATOM 56 CA GLN A 22 7.455 9.554 -1.924 1.00 0.00 C ATOM 57 C GLN A 22 6.771 8.614 -2.900 1.00 0.00 C ATOM 58 O GLN A 22 5.603 8.805 -3.259 1.00 0.00 O ATOM 59 CB GLN A 22 8.367 10.537 -2.671 1.00 0.00 C ATOM 60 CG GLN A 22 7.671 11.469 -3.653 1.00 0.00 C ATOM 61 CD GLN A 22 6.614 12.326 -2.994 1.00 0.00 C ATOM 62 OE1 GLN A 22 6.904 13.404 -2.481 1.00 0.00 O ATOM 63 NE2 GLN A 22 5.390 11.891 -3.038 1.00 0.00 N ATOM 0 H GLN A 22 9.249 8.970 -1.048 1.00 0.00 H new ATOM 0 HA GLN A 22 6.692 10.119 -1.389 1.00 0.00 H new ATOM 0 HB2 GLN A 22 8.896 11.143 -1.936 1.00 0.00 H new ATOM 0 HB3 GLN A 22 9.120 9.965 -3.213 1.00 0.00 H new ATOM 0 HG2 GLN A 22 8.413 12.113 -4.125 1.00 0.00 H new ATOM 0 HG3 GLN A 22 7.212 10.878 -4.446 1.00 0.00 H new ATOM 0 HE21 GLN A 22 5.184 10.991 -3.472 1.00 0.00 H new ATOM 0 HE22 GLN A 22 4.636 12.450 -2.639 1.00 0.00 H new ATOM 72 N ARG A 23 7.488 7.581 -3.280 1.00 0.00 N ATOM 73 CA ARG A 23 6.991 6.573 -4.185 1.00 0.00 C ATOM 74 C ARG A 23 5.855 5.792 -3.506 1.00 0.00 C ATOM 75 O ARG A 23 4.897 5.371 -4.151 1.00 0.00 O ATOM 76 CB ARG A 23 8.130 5.630 -4.574 1.00 0.00 C ATOM 77 CG ARG A 23 7.842 4.775 -5.783 1.00 0.00 C ATOM 78 CD ARG A 23 8.966 3.797 -6.049 1.00 0.00 C ATOM 79 NE ARG A 23 8.833 3.154 -7.359 1.00 0.00 N ATOM 80 CZ ARG A 23 8.510 1.873 -7.588 1.00 0.00 C ATOM 81 NH1 ARG A 23 8.119 1.075 -6.592 1.00 0.00 N ATOM 82 NH2 ARG A 23 8.533 1.411 -8.829 1.00 0.00 N ATOM 0 H ARG A 23 8.444 7.416 -2.965 1.00 0.00 H new ATOM 0 HA ARG A 23 6.603 7.045 -5.087 1.00 0.00 H new ATOM 0 HB2 ARG A 23 9.026 6.221 -4.766 1.00 0.00 H new ATOM 0 HB3 ARG A 23 8.353 4.980 -3.728 1.00 0.00 H new ATOM 0 HG2 ARG A 23 6.911 4.229 -5.631 1.00 0.00 H new ATOM 0 HG3 ARG A 23 7.698 5.413 -6.655 1.00 0.00 H new ATOM 0 HD2 ARG A 23 9.921 4.319 -5.996 1.00 0.00 H new ATOM 0 HD3 ARG A 23 8.976 3.035 -5.270 1.00 0.00 H new ATOM 0 HE ARG A 23 9.003 3.739 -8.177 1.00 0.00 H new ATOM 0 HH11 ARG A 23 8.063 1.437 -5.640 1.00 0.00 H new ATOM 0 HH12 ARG A 23 7.877 0.103 -6.783 1.00 0.00 H new ATOM 0 HH21 ARG A 23 8.794 2.028 -9.598 1.00 0.00 H new ATOM 0 HH22 ARG A 23 8.289 0.438 -9.016 1.00 0.00 H new ATOM 96 N PHE A 24 5.937 5.670 -2.186 1.00 0.00 N ATOM 97 CA PHE A 24 4.926 4.961 -1.421 1.00 0.00 C ATOM 98 C PHE A 24 3.746 5.845 -1.086 1.00 0.00 C ATOM 99 O PHE A 24 2.721 5.367 -0.592 1.00 0.00 O ATOM 100 CB PHE A 24 5.509 4.291 -0.161 1.00 0.00 C ATOM 101 CG PHE A 24 6.103 2.925 -0.420 1.00 0.00 C ATOM 102 CD1 PHE A 24 6.665 2.616 -1.650 1.00 0.00 C ATOM 103 CD2 PHE A 24 6.077 1.942 0.561 1.00 0.00 C ATOM 104 CE1 PHE A 24 7.179 1.367 -1.896 1.00 0.00 C ATOM 105 CE2 PHE A 24 6.601 0.688 0.312 1.00 0.00 C ATOM 106 CZ PHE A 24 7.145 0.400 -0.913 1.00 0.00 C ATOM 0 H PHE A 24 6.697 6.055 -1.625 1.00 0.00 H new ATOM 0 HA PHE A 24 4.558 4.161 -2.063 1.00 0.00 H new ATOM 0 HB2 PHE A 24 6.278 4.938 0.261 1.00 0.00 H new ATOM 0 HB3 PHE A 24 4.723 4.200 0.588 1.00 0.00 H new ATOM 0 HD1 PHE A 24 6.699 3.368 -2.424 1.00 0.00 H new ATOM 0 HD2 PHE A 24 5.644 2.160 1.526 1.00 0.00 H new ATOM 0 HE1 PHE A 24 7.610 1.141 -2.860 1.00 0.00 H new ATOM 0 HE2 PHE A 24 6.582 -0.067 1.084 1.00 0.00 H new ATOM 0 HZ PHE A 24 7.547 -0.583 -1.108 1.00 0.00 H new ATOM 116 N HIS A 25 3.848 7.124 -1.412 1.00 0.00 N ATOM 117 CA HIS A 25 2.736 8.019 -1.186 1.00 0.00 C ATOM 118 C HIS A 25 1.649 7.727 -2.223 1.00 0.00 C ATOM 119 O HIS A 25 0.501 8.054 -2.028 1.00 0.00 O ATOM 120 CB HIS A 25 3.151 9.505 -1.197 1.00 0.00 C ATOM 121 CG HIS A 25 2.089 10.428 -0.629 1.00 0.00 C ATOM 122 ND1 HIS A 25 2.069 10.819 0.688 1.00 0.00 N ATOM 123 CD2 HIS A 25 1.006 11.013 -1.199 1.00 0.00 C ATOM 124 CE1 HIS A 25 1.030 11.590 0.902 1.00 0.00 C ATOM 125 NE2 HIS A 25 0.368 11.726 -0.224 1.00 0.00 N ATOM 0 H HIS A 25 4.675 7.555 -1.826 1.00 0.00 H new ATOM 0 HA HIS A 25 2.345 7.837 -0.185 1.00 0.00 H new ATOM 0 HB2 HIS A 25 4.070 9.623 -0.623 1.00 0.00 H new ATOM 0 HB3 HIS A 25 3.374 9.805 -2.221 1.00 0.00 H new ATOM 0 HD2 HIS A 25 0.704 10.930 -2.233 1.00 0.00 H new ATOM 0 HE1 HIS A 25 0.763 12.039 1.847 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -0.483 12.274 -0.350 1.00 0.00 H new ATOM 134 N GLU A 26 2.030 7.076 -3.313 1.00 0.00 N ATOM 135 CA GLU A 26 1.070 6.627 -4.313 1.00 0.00 C ATOM 136 C GLU A 26 0.242 5.476 -3.774 1.00 0.00 C ATOM 137 O GLU A 26 -0.937 5.333 -4.094 1.00 0.00 O ATOM 138 CB GLU A 26 1.781 6.235 -5.599 1.00 0.00 C ATOM 139 CG GLU A 26 2.096 7.415 -6.490 1.00 0.00 C ATOM 140 CD GLU A 26 0.859 7.935 -7.180 1.00 0.00 C ATOM 141 OE1 GLU A 26 0.054 8.657 -6.554 1.00 0.00 O ATOM 142 OE2 GLU A 26 0.650 7.595 -8.380 1.00 0.00 O ATOM 0 H GLU A 26 3.000 6.846 -3.528 1.00 0.00 H new ATOM 0 HA GLU A 26 0.394 7.451 -4.541 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.708 5.718 -5.351 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.159 5.529 -6.149 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.544 8.211 -5.896 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.834 7.121 -7.237 1.00 0.00 H new ATOM 149 N ILE A 27 0.842 4.695 -2.903 1.00 0.00 N ATOM 150 CA ILE A 27 0.150 3.571 -2.300 1.00 0.00 C ATOM 151 C ILE A 27 -0.756 4.126 -1.200 1.00 0.00 C ATOM 152 O ILE A 27 -1.874 3.668 -0.996 1.00 0.00 O ATOM 153 CB ILE A 27 1.133 2.529 -1.706 1.00 0.00 C ATOM 154 CG1 ILE A 27 2.320 2.272 -2.671 1.00 0.00 C ATOM 155 CG2 ILE A 27 0.392 1.224 -1.422 1.00 0.00 C ATOM 156 CD1 ILE A 27 1.930 1.792 -4.058 1.00 0.00 C ATOM 0 H ILE A 27 1.807 4.815 -2.595 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.428 3.052 -3.065 1.00 0.00 H new ATOM 0 HB ILE A 27 1.536 2.925 -0.774 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.893 3.194 -2.770 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.981 1.532 -2.220 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.086 0.495 -1.005 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.411 1.409 -0.709 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.029 0.835 -2.349 1.00 0.00 H new ATOM 0 HD11 ILE A 27 2.828 1.641 -4.657 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.385 0.851 -3.978 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.296 2.539 -4.537 1.00 0.00 H new ATOM 168 N GLU A 28 -0.250 5.157 -0.530 1.00 0.00 N ATOM 169 CA GLU A 28 -1.002 5.936 0.455 1.00 0.00 C ATOM 170 C GLU A 28 -2.229 6.558 -0.245 1.00 0.00 C ATOM 171 O GLU A 28 -3.329 6.610 0.300 1.00 0.00 O ATOM 172 CB GLU A 28 -0.083 7.051 0.978 1.00 0.00 C ATOM 173 CG GLU A 28 -0.689 7.992 2.012 1.00 0.00 C ATOM 174 CD GLU A 28 -0.959 7.334 3.341 1.00 0.00 C ATOM 175 OE1 GLU A 28 -0.001 7.189 4.138 1.00 0.00 O ATOM 176 OE2 GLU A 28 -2.125 7.020 3.633 1.00 0.00 O ATOM 0 H GLU A 28 0.709 5.482 -0.656 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.335 5.309 1.282 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.803 6.589 1.413 1.00 0.00 H new ATOM 0 HB3 GLU A 28 0.252 7.646 0.128 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.015 8.835 2.164 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.622 8.397 1.620 1.00 0.00 H new ATOM 183 N LYS A 29 -2.004 7.000 -1.472 1.00 0.00 N ATOM 184 CA LYS A 29 -3.020 7.594 -2.310 1.00 0.00 C ATOM 185 C LYS A 29 -4.082 6.533 -2.665 1.00 0.00 C ATOM 186 O LYS A 29 -5.276 6.817 -2.664 1.00 0.00 O ATOM 187 CB LYS A 29 -2.330 8.216 -3.549 1.00 0.00 C ATOM 188 CG LYS A 29 -3.156 9.185 -4.398 1.00 0.00 C ATOM 189 CD LYS A 29 -4.189 8.504 -5.281 1.00 0.00 C ATOM 190 CE LYS A 29 -3.536 7.641 -6.354 1.00 0.00 C ATOM 191 NZ LYS A 29 -2.586 8.412 -7.196 1.00 0.00 N ATOM 0 H LYS A 29 -1.088 6.952 -1.918 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.549 8.395 -1.793 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.437 8.741 -3.210 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.996 7.403 -4.193 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.664 9.889 -3.738 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.482 9.767 -5.027 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -4.842 7.886 -4.665 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -4.817 9.259 -5.754 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -3.009 6.813 -5.880 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -4.309 7.206 -6.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -2.401 7.891 -8.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -2.997 9.340 -7.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -1.693 8.545 -6.679 1.00 0.00 H new ATOM 205 N PHE A 30 -3.640 5.305 -2.933 1.00 0.00 N ATOM 206 CA PHE A 30 -4.567 4.183 -3.135 1.00 0.00 C ATOM 207 C PHE A 30 -5.370 3.941 -1.884 1.00 0.00 C ATOM 208 O PHE A 30 -6.555 3.705 -1.940 1.00 0.00 O ATOM 209 CB PHE A 30 -3.837 2.897 -3.485 1.00 0.00 C ATOM 210 CG PHE A 30 -3.753 2.599 -4.949 1.00 0.00 C ATOM 211 CD1 PHE A 30 -2.752 3.136 -5.734 1.00 0.00 C ATOM 212 CD2 PHE A 30 -4.690 1.765 -5.540 1.00 0.00 C ATOM 213 CE1 PHE A 30 -2.688 2.848 -7.082 1.00 0.00 C ATOM 214 CE2 PHE A 30 -4.630 1.474 -6.884 1.00 0.00 C ATOM 215 CZ PHE A 30 -3.629 2.015 -7.657 1.00 0.00 C ATOM 0 H PHE A 30 -2.654 5.059 -3.016 1.00 0.00 H new ATOM 0 HA PHE A 30 -5.218 4.457 -3.965 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.826 2.949 -3.081 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -4.337 2.066 -2.988 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.013 3.787 -5.289 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -5.478 1.338 -4.937 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.902 3.274 -7.688 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.367 0.823 -7.330 1.00 0.00 H new ATOM 0 HZ PHE A 30 -3.579 1.789 -8.712 1.00 0.00 H new ATOM 225 N LEU A 31 -4.706 4.017 -0.763 1.00 0.00 N ATOM 226 CA LEU A 31 -5.318 3.820 0.532 1.00 0.00 C ATOM 227 C LEU A 31 -6.416 4.892 0.777 1.00 0.00 C ATOM 228 O LEU A 31 -7.477 4.598 1.359 1.00 0.00 O ATOM 229 CB LEU A 31 -4.215 3.838 1.599 1.00 0.00 C ATOM 230 CG LEU A 31 -4.601 3.487 3.030 1.00 0.00 C ATOM 231 CD1 LEU A 31 -5.181 2.102 3.088 1.00 0.00 C ATOM 232 CD2 LEU A 31 -3.381 3.569 3.927 1.00 0.00 C ATOM 0 H LEU A 31 -3.708 4.221 -0.718 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.820 2.854 0.581 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.434 3.146 1.284 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.774 4.835 1.607 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.351 4.198 3.375 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.453 1.864 4.116 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.069 2.053 2.458 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.443 1.383 2.732 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.663 3.317 4.949 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.624 2.868 3.576 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.978 4.581 3.901 1.00 0.00 H new ATOM 244 N LEU A 32 -6.175 6.119 0.277 1.00 0.00 N ATOM 245 CA LEU A 32 -7.177 7.198 0.333 1.00 0.00 C ATOM 246 C LEU A 32 -8.324 6.807 -0.539 1.00 0.00 C ATOM 247 O LEU A 32 -9.487 6.912 -0.161 1.00 0.00 O ATOM 248 CB LEU A 32 -6.637 8.514 -0.234 1.00 0.00 C ATOM 249 CG LEU A 32 -5.360 9.029 0.356 1.00 0.00 C ATOM 250 CD1 LEU A 32 -4.866 10.229 -0.439 1.00 0.00 C ATOM 251 CD2 LEU A 32 -5.549 9.415 1.807 1.00 0.00 C ATOM 0 H LEU A 32 -5.297 6.386 -0.169 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.455 7.340 1.377 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -6.489 8.387 -1.306 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.403 9.279 -0.107 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.617 8.233 0.308 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.937 10.597 -0.003 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.689 9.933 -1.473 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.617 11.018 -0.411 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.607 9.785 2.211 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.307 10.195 1.880 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.870 8.543 2.377 1.00 0.00 H new ATOM 263 N HIS A 33 -7.964 6.335 -1.705 1.00 0.00 N ATOM 264 CA HIS A 33 -8.919 5.923 -2.734 1.00 0.00 C ATOM 265 C HIS A 33 -9.838 4.831 -2.211 1.00 0.00 C ATOM 266 O HIS A 33 -11.043 4.926 -2.365 1.00 0.00 O ATOM 267 CB HIS A 33 -8.188 5.436 -4.007 1.00 0.00 C ATOM 268 CG HIS A 33 -9.104 5.093 -5.151 1.00 0.00 C ATOM 269 ND1 HIS A 33 -9.311 3.808 -5.625 1.00 0.00 N ATOM 270 CD2 HIS A 33 -9.858 5.893 -5.928 1.00 0.00 C ATOM 271 CE1 HIS A 33 -10.141 3.852 -6.633 1.00 0.00 C ATOM 272 NE2 HIS A 33 -10.492 5.100 -6.839 1.00 0.00 N ATOM 0 H HIS A 33 -6.989 6.220 -1.982 1.00 0.00 H new ATOM 0 HA HIS A 33 -9.522 6.793 -2.994 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -7.493 6.210 -4.332 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -7.593 4.558 -3.757 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -8.884 2.962 -5.247 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -9.945 6.966 -5.845 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -10.482 3.001 -7.203 1.00 0.00 H new ATOM 281 N ILE A 34 -9.266 3.841 -1.554 1.00 0.00 N ATOM 282 CA ILE A 34 -10.022 2.736 -1.018 1.00 0.00 C ATOM 283 C ILE A 34 -11.015 3.235 0.030 1.00 0.00 C ATOM 284 O ILE A 34 -12.202 2.933 -0.039 1.00 0.00 O ATOM 285 CB ILE A 34 -9.065 1.665 -0.412 1.00 0.00 C ATOM 286 CG1 ILE A 34 -8.130 1.112 -1.500 1.00 0.00 C ATOM 287 CG2 ILE A 34 -9.844 0.527 0.240 1.00 0.00 C ATOM 288 CD1 ILE A 34 -6.987 0.278 -0.964 1.00 0.00 C ATOM 0 H ILE A 34 -8.263 3.784 -1.379 1.00 0.00 H new ATOM 0 HA ILE A 34 -10.584 2.269 -1.827 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.468 2.149 0.361 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -8.714 0.507 -2.193 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.721 1.945 -2.071 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -9.146 -0.202 0.652 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -10.468 0.925 1.040 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -10.475 0.044 -0.506 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.374 -0.075 -1.793 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -6.377 0.884 -0.294 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -7.385 -0.577 -0.418 1.00 0.00 H new ATOM 300 N THR A 35 -10.557 4.072 0.919 1.00 0.00 N ATOM 301 CA THR A 35 -11.410 4.611 1.948 1.00 0.00 C ATOM 302 C THR A 35 -12.502 5.521 1.329 1.00 0.00 C ATOM 303 O THR A 35 -13.661 5.488 1.752 1.00 0.00 O ATOM 304 CB THR A 35 -10.574 5.377 2.965 1.00 0.00 C ATOM 305 OG1 THR A 35 -9.472 4.538 3.386 1.00 0.00 O ATOM 306 CG2 THR A 35 -11.404 5.746 4.181 1.00 0.00 C ATOM 0 H THR A 35 -9.591 4.399 0.954 1.00 0.00 H new ATOM 0 HA THR A 35 -11.911 3.789 2.460 1.00 0.00 H new ATOM 0 HB THR A 35 -10.209 6.294 2.502 1.00 0.00 H new ATOM 0 HG1 THR A 35 -8.748 4.595 2.728 1.00 0.00 H new ATOM 0 HG21 THR A 35 -10.784 6.292 4.892 1.00 0.00 H new ATOM 0 HG22 THR A 35 -12.241 6.372 3.873 1.00 0.00 H new ATOM 0 HG23 THR A 35 -11.783 4.839 4.652 1.00 0.00 H new ATOM 314 N HIS A 36 -12.130 6.280 0.293 1.00 0.00 N ATOM 315 CA HIS A 36 -13.077 7.141 -0.422 1.00 0.00 C ATOM 316 C HIS A 36 -14.158 6.340 -1.098 1.00 0.00 C ATOM 317 O HIS A 36 -15.292 6.777 -1.163 1.00 0.00 O ATOM 318 CB HIS A 36 -12.401 8.051 -1.453 1.00 0.00 C ATOM 319 CG HIS A 36 -11.767 9.273 -0.881 1.00 0.00 C ATOM 320 ND1 HIS A 36 -10.458 9.624 -1.103 1.00 0.00 N ATOM 321 CD2 HIS A 36 -12.292 10.262 -0.128 1.00 0.00 C ATOM 322 CE1 HIS A 36 -10.205 10.766 -0.511 1.00 0.00 C ATOM 323 NE2 HIS A 36 -11.301 11.176 0.086 1.00 0.00 N ATOM 0 H HIS A 36 -11.177 6.315 -0.070 1.00 0.00 H new ATOM 0 HA HIS A 36 -13.523 7.776 0.344 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -11.640 7.477 -1.982 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -13.143 8.354 -2.192 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -13.307 10.320 0.237 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -9.256 11.282 -0.514 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -11.396 12.038 0.623 1.00 0.00 H new ATOM 332 N GLU A 37 -13.805 5.178 -1.596 1.00 0.00 N ATOM 333 CA GLU A 37 -14.760 4.303 -2.226 1.00 0.00 C ATOM 334 C GLU A 37 -15.700 3.706 -1.198 1.00 0.00 C ATOM 335 O GLU A 37 -16.884 3.560 -1.469 1.00 0.00 O ATOM 336 CB GLU A 37 -14.079 3.234 -3.062 1.00 0.00 C ATOM 337 CG GLU A 37 -13.239 3.786 -4.203 1.00 0.00 C ATOM 338 CD GLU A 37 -14.030 4.646 -5.151 1.00 0.00 C ATOM 339 OE1 GLU A 37 -14.709 4.091 -6.040 1.00 0.00 O ATOM 340 OE2 GLU A 37 -13.959 5.893 -5.054 1.00 0.00 O ATOM 0 H GLU A 37 -12.852 4.816 -1.575 1.00 0.00 H new ATOM 0 HA GLU A 37 -15.358 4.900 -2.914 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -13.443 2.631 -2.414 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -14.839 2.569 -3.472 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.416 4.370 -3.792 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.797 2.957 -4.756 1.00 0.00 H new ATOM 347 N VAL A 38 -15.169 3.353 -0.020 1.00 0.00 N ATOM 348 CA VAL A 38 -15.970 2.921 1.095 1.00 0.00 C ATOM 349 C VAL A 38 -16.909 4.040 1.493 1.00 0.00 C ATOM 350 O VAL A 38 -18.079 3.829 1.754 1.00 0.00 O ATOM 351 CB VAL A 38 -15.130 2.485 2.327 1.00 0.00 C ATOM 352 CG1 VAL A 38 -16.043 1.852 3.371 1.00 0.00 C ATOM 353 CG2 VAL A 38 -14.070 1.483 1.933 1.00 0.00 C ATOM 0 H VAL A 38 -14.167 3.365 0.171 1.00 0.00 H new ATOM 0 HA VAL A 38 -16.524 2.041 0.769 1.00 0.00 H new ATOM 0 HB VAL A 38 -14.644 3.370 2.737 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -15.452 1.547 4.234 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -16.795 2.576 3.684 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -16.536 0.980 2.942 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -13.497 1.195 2.814 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -14.545 0.601 1.504 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -13.403 1.930 1.196 1.00 0.00 H new ATOM 363 N ASP A 39 -16.398 5.232 1.487 1.00 0.00 N ATOM 364 CA ASP A 39 -17.199 6.388 1.803 1.00 0.00 C ATOM 365 C ASP A 39 -18.289 6.596 0.742 1.00 0.00 C ATOM 366 O ASP A 39 -19.497 6.827 1.052 1.00 0.00 O ATOM 367 CB ASP A 39 -16.321 7.630 1.953 1.00 0.00 C ATOM 368 CG ASP A 39 -17.107 8.898 2.192 1.00 0.00 C ATOM 369 OD1 ASP A 39 -17.711 9.059 3.285 1.00 0.00 O ATOM 370 OD2 ASP A 39 -17.104 9.772 1.315 1.00 0.00 O ATOM 0 H ASP A 39 -15.424 5.437 1.266 1.00 0.00 H new ATOM 0 HA ASP A 39 -17.694 6.216 2.759 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -15.630 7.479 2.782 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -15.718 7.750 1.053 1.00 0.00 H new ATOM 375 N ASP A 40 -17.892 6.441 -0.498 1.00 0.00 N ATOM 376 CA ASP A 40 -18.773 6.615 -1.595 1.00 0.00 C ATOM 377 C ASP A 40 -19.799 5.514 -1.637 1.00 0.00 C ATOM 378 O ASP A 40 -20.884 5.720 -2.060 1.00 0.00 O ATOM 379 CB ASP A 40 -18.049 6.745 -2.926 1.00 0.00 C ATOM 380 CG ASP A 40 -18.991 7.256 -4.013 1.00 0.00 C ATOM 381 OD1 ASP A 40 -19.148 8.509 -4.154 1.00 0.00 O ATOM 382 OD2 ASP A 40 -19.588 6.455 -4.721 1.00 0.00 O ATOM 0 H ASP A 40 -16.939 6.189 -0.761 1.00 0.00 H new ATOM 0 HA ASP A 40 -19.286 7.563 -1.435 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -17.206 7.427 -2.820 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -17.641 5.777 -3.218 1.00 0.00 H new ATOM 387 N LEU A 41 -19.455 4.340 -1.181 1.00 0.00 N ATOM 388 CA LEU A 41 -20.405 3.271 -1.131 1.00 0.00 C ATOM 389 C LEU A 41 -21.453 3.526 -0.082 1.00 0.00 C ATOM 390 O LEU A 41 -22.626 3.229 -0.289 1.00 0.00 O ATOM 391 CB LEU A 41 -19.747 1.887 -1.046 1.00 0.00 C ATOM 392 CG LEU A 41 -18.908 1.539 0.139 1.00 0.00 C ATOM 393 CD1 LEU A 41 -19.734 0.916 1.263 1.00 0.00 C ATOM 394 CD2 LEU A 41 -17.782 0.654 -0.302 1.00 0.00 C ATOM 0 H LEU A 41 -18.523 4.103 -0.840 1.00 0.00 H new ATOM 0 HA LEU A 41 -20.932 3.251 -2.085 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -20.542 1.144 -1.112 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -19.124 1.767 -1.933 1.00 0.00 H new ATOM 0 HG LEU A 41 -18.489 2.453 0.560 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -19.083 0.679 2.104 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -20.501 1.621 1.585 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -20.208 0.003 0.903 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -17.164 0.395 0.558 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -18.187 -0.256 -0.745 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -17.175 1.178 -1.040 1.00 0.00 H new ATOM 406 N GLU A 42 -21.036 4.142 1.019 1.00 0.00 N ATOM 407 CA GLU A 42 -21.946 4.486 2.089 1.00 0.00 C ATOM 408 C GLU A 42 -22.979 5.502 1.624 1.00 0.00 C ATOM 409 O GLU A 42 -24.110 5.515 2.105 1.00 0.00 O ATOM 410 CB GLU A 42 -21.218 5.065 3.297 1.00 0.00 C ATOM 411 CG GLU A 42 -20.242 4.139 3.978 1.00 0.00 C ATOM 412 CD GLU A 42 -19.652 4.778 5.202 1.00 0.00 C ATOM 413 OE1 GLU A 42 -20.246 4.651 6.297 1.00 0.00 O ATOM 414 OE2 GLU A 42 -18.611 5.445 5.107 1.00 0.00 O ATOM 0 H GLU A 42 -20.067 4.412 1.188 1.00 0.00 H new ATOM 0 HA GLU A 42 -22.437 3.557 2.379 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -20.681 5.959 2.980 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -21.961 5.381 4.029 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -20.747 3.214 4.255 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -19.445 3.872 3.284 1.00 0.00 H new ATOM 421 N LYS A 43 -22.591 6.352 0.690 1.00 0.00 N ATOM 422 CA LYS A 43 -23.484 7.386 0.218 1.00 0.00 C ATOM 423 C LYS A 43 -24.124 7.001 -1.095 1.00 0.00 C ATOM 424 O LYS A 43 -25.191 7.497 -1.440 1.00 0.00 O ATOM 425 CB LYS A 43 -22.700 8.704 0.025 1.00 0.00 C ATOM 426 CG LYS A 43 -21.466 8.503 -0.840 1.00 0.00 C ATOM 427 CD LYS A 43 -20.626 9.737 -1.063 1.00 0.00 C ATOM 428 CE LYS A 43 -21.255 10.729 -2.017 1.00 0.00 C ATOM 429 NZ LYS A 43 -21.313 10.191 -3.395 1.00 0.00 N ATOM 0 H LYS A 43 -21.671 6.345 0.249 1.00 0.00 H new ATOM 0 HA LYS A 43 -24.268 7.517 0.964 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -23.349 9.449 -0.435 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -22.403 9.096 0.998 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -20.842 7.737 -0.381 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -21.781 8.118 -1.810 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -20.451 10.226 -0.105 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -19.652 9.439 -1.451 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -22.261 10.974 -1.678 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -20.682 11.656 -2.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -21.302 10.977 -4.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -20.491 9.576 -3.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -22.187 9.641 -3.516 1.00 0.00 H new ATOM 443 N THR A 44 -23.492 6.106 -1.809 1.00 0.00 N ATOM 444 CA THR A 44 -23.808 5.905 -3.191 1.00 0.00 C ATOM 445 C THR A 44 -23.504 4.469 -3.730 1.00 0.00 C ATOM 446 O THR A 44 -24.400 3.630 -3.873 1.00 0.00 O ATOM 447 CB THR A 44 -22.941 6.910 -3.983 1.00 0.00 C ATOM 448 OG1 THR A 44 -23.200 8.264 -3.573 1.00 0.00 O ATOM 449 CG2 THR A 44 -23.120 6.787 -5.446 1.00 0.00 C ATOM 0 H THR A 44 -22.752 5.504 -1.449 1.00 0.00 H new ATOM 0 HA THR A 44 -24.882 6.046 -3.310 1.00 0.00 H new ATOM 0 HB THR A 44 -21.905 6.660 -3.753 1.00 0.00 H new ATOM 0 HG1 THR A 44 -23.520 8.783 -4.340 1.00 0.00 H new ATOM 0 HG21 THR A 44 -22.488 7.516 -5.952 1.00 0.00 H new ATOM 0 HG22 THR A 44 -22.841 5.782 -5.763 1.00 0.00 H new ATOM 0 HG23 THR A 44 -24.163 6.972 -5.702 1.00 0.00 H new ATOM 457 N GLY A 45 -22.239 4.198 -3.971 1.00 0.00 N ATOM 458 CA GLY A 45 -21.861 3.029 -4.742 1.00 0.00 C ATOM 459 C GLY A 45 -21.559 1.813 -3.937 1.00 0.00 C ATOM 460 O GLY A 45 -20.434 1.361 -3.909 1.00 0.00 O ATOM 0 H GLY A 45 -21.457 4.767 -3.647 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -22.667 2.795 -5.437 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -20.985 3.276 -5.342 1.00 0.00 H new ATOM 464 N ASN A 46 -22.537 1.303 -3.258 1.00 0.00 N ATOM 465 CA ASN A 46 -22.359 0.058 -2.493 1.00 0.00 C ATOM 466 C ASN A 46 -22.997 -1.122 -3.209 1.00 0.00 C ATOM 467 O ASN A 46 -23.229 -2.169 -2.612 1.00 0.00 O ATOM 468 CB ASN A 46 -22.908 0.158 -1.047 1.00 0.00 C ATOM 469 CG ASN A 46 -24.425 0.271 -0.932 1.00 0.00 C ATOM 470 OD1 ASN A 46 -25.105 0.852 -1.790 1.00 0.00 O ATOM 471 ND2 ASN A 46 -24.959 -0.303 0.116 1.00 0.00 N ATOM 0 H ASN A 46 -23.471 1.709 -3.202 1.00 0.00 H new ATOM 0 HA ASN A 46 -21.283 -0.103 -2.424 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -22.582 -0.721 -0.491 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -22.458 1.025 -0.564 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -25.970 -0.282 0.249 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -24.364 -0.771 0.800 1.00 0.00 H new ATOM 478 N LYS A 47 -23.242 -0.956 -4.488 1.00 0.00 N ATOM 479 CA LYS A 47 -23.901 -1.979 -5.295 1.00 0.00 C ATOM 480 C LYS A 47 -23.008 -3.208 -5.480 1.00 0.00 C ATOM 481 O LYS A 47 -23.420 -4.340 -5.233 1.00 0.00 O ATOM 482 CB LYS A 47 -24.241 -1.401 -6.665 1.00 0.00 C ATOM 483 CG LYS A 47 -25.105 -0.151 -6.615 1.00 0.00 C ATOM 484 CD LYS A 47 -25.233 0.509 -7.984 1.00 0.00 C ATOM 485 CE LYS A 47 -23.875 0.977 -8.513 1.00 0.00 C ATOM 486 NZ LYS A 47 -24.005 1.771 -9.747 1.00 0.00 N ATOM 0 H LYS A 47 -22.994 -0.113 -5.006 1.00 0.00 H new ATOM 0 HA LYS A 47 -24.807 -2.288 -4.774 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -23.314 -1.168 -7.189 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -24.756 -2.162 -7.251 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -26.096 -0.410 -6.243 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -24.675 0.559 -5.909 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -25.675 -0.196 -8.688 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -25.911 1.360 -7.916 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -23.375 1.573 -7.750 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -23.243 0.110 -8.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -23.062 2.067 -10.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -24.459 1.195 -10.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -24.586 2.612 -9.559 1.00 0.00 H new ATOM 500 N ASP A 48 -21.786 -2.959 -5.881 1.00 0.00 N ATOM 501 CA ASP A 48 -20.806 -4.027 -6.191 1.00 0.00 C ATOM 502 C ASP A 48 -19.397 -3.533 -5.910 1.00 0.00 C ATOM 503 O ASP A 48 -18.446 -4.306 -5.743 1.00 0.00 O ATOM 504 CB ASP A 48 -20.935 -4.422 -7.680 1.00 0.00 C ATOM 505 CG ASP A 48 -19.984 -5.528 -8.134 1.00 0.00 C ATOM 506 OD1 ASP A 48 -20.309 -6.717 -7.959 1.00 0.00 O ATOM 507 OD2 ASP A 48 -18.926 -5.224 -8.736 1.00 0.00 O ATOM 0 H ASP A 48 -21.420 -2.015 -6.009 1.00 0.00 H new ATOM 0 HA ASP A 48 -21.007 -4.896 -5.565 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -21.959 -4.743 -7.869 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -20.760 -3.538 -8.293 1.00 0.00 H new ATOM 512 N GLU A 49 -19.304 -2.237 -5.793 1.00 0.00 N ATOM 513 CA GLU A 49 -18.087 -1.504 -5.619 1.00 0.00 C ATOM 514 C GLU A 49 -17.367 -1.874 -4.350 1.00 0.00 C ATOM 515 O GLU A 49 -16.173 -1.890 -4.339 1.00 0.00 O ATOM 516 CB GLU A 49 -18.358 -0.004 -5.627 1.00 0.00 C ATOM 517 CG GLU A 49 -18.940 0.593 -6.918 1.00 0.00 C ATOM 518 CD GLU A 49 -20.295 0.038 -7.326 1.00 0.00 C ATOM 519 OE1 GLU A 49 -21.118 -0.309 -6.440 1.00 0.00 O ATOM 520 OE2 GLU A 49 -20.557 -0.050 -8.543 1.00 0.00 O ATOM 0 H GLU A 49 -20.125 -1.632 -5.818 1.00 0.00 H new ATOM 0 HA GLU A 49 -17.443 -1.769 -6.458 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -19.044 0.221 -4.811 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -17.422 0.510 -5.408 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -19.028 1.672 -6.794 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -18.234 0.422 -7.731 1.00 0.00 H new ATOM 527 N LYS A 50 -18.094 -2.158 -3.291 1.00 0.00 N ATOM 528 CA LYS A 50 -17.476 -2.436 -2.006 1.00 0.00 C ATOM 529 C LYS A 50 -16.615 -3.700 -2.123 1.00 0.00 C ATOM 530 O LYS A 50 -15.441 -3.709 -1.760 1.00 0.00 O ATOM 531 CB LYS A 50 -18.586 -2.590 -0.923 1.00 0.00 C ATOM 532 CG LYS A 50 -18.135 -2.471 0.556 1.00 0.00 C ATOM 533 CD LYS A 50 -17.267 -3.567 1.015 1.00 0.00 C ATOM 534 CE LYS A 50 -18.006 -4.905 1.066 1.00 0.00 C ATOM 535 NZ LYS A 50 -19.204 -4.842 1.940 1.00 0.00 N ATOM 0 H LYS A 50 -19.113 -2.203 -3.291 1.00 0.00 H new ATOM 0 HA LYS A 50 -16.827 -1.613 -1.707 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -19.350 -1.834 -1.108 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -19.060 -3.562 -1.057 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -17.608 -1.526 0.688 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -19.020 -2.434 1.191 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -16.409 -3.653 0.348 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -16.878 -3.330 2.005 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -18.306 -5.193 0.058 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -17.331 -5.679 1.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -19.509 -5.807 2.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -18.971 -4.325 2.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -19.973 -4.351 1.441 1.00 0.00 H new ATOM 549 N ALA A 51 -17.200 -4.717 -2.671 1.00 0.00 N ATOM 550 CA ALA A 51 -16.520 -5.985 -2.883 1.00 0.00 C ATOM 551 C ALA A 51 -15.407 -5.822 -3.929 1.00 0.00 C ATOM 552 O ALA A 51 -14.272 -6.320 -3.755 1.00 0.00 O ATOM 553 CB ALA A 51 -17.521 -7.049 -3.309 1.00 0.00 C ATOM 0 H ALA A 51 -18.168 -4.706 -2.991 1.00 0.00 H new ATOM 0 HA ALA A 51 -16.060 -6.305 -1.948 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -17.002 -7.995 -3.465 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -18.274 -7.172 -2.531 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -18.005 -6.743 -4.237 1.00 0.00 H new ATOM 559 N ARG A 52 -15.725 -5.086 -4.977 1.00 0.00 N ATOM 560 CA ARG A 52 -14.795 -4.809 -6.061 1.00 0.00 C ATOM 561 C ARG A 52 -13.578 -4.047 -5.539 1.00 0.00 C ATOM 562 O ARG A 52 -12.444 -4.327 -5.920 1.00 0.00 O ATOM 563 CB ARG A 52 -15.490 -3.988 -7.128 1.00 0.00 C ATOM 564 CG ARG A 52 -14.667 -3.764 -8.375 1.00 0.00 C ATOM 565 CD ARG A 52 -15.413 -2.899 -9.362 1.00 0.00 C ATOM 566 NE ARG A 52 -16.717 -3.460 -9.709 1.00 0.00 N ATOM 567 CZ ARG A 52 -17.466 -3.084 -10.741 1.00 0.00 C ATOM 568 NH1 ARG A 52 -17.025 -2.172 -11.611 1.00 0.00 N ATOM 569 NH2 ARG A 52 -18.651 -3.631 -10.900 1.00 0.00 N ATOM 0 H ARG A 52 -16.643 -4.659 -5.103 1.00 0.00 H new ATOM 0 HA ARG A 52 -14.460 -5.755 -6.487 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -16.419 -4.486 -7.405 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -15.760 -3.020 -6.706 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -13.721 -3.290 -8.112 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -14.426 -4.723 -8.834 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -15.548 -1.903 -8.941 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -14.816 -2.784 -10.267 1.00 0.00 H new ATOM 0 HE ARG A 52 -17.082 -4.201 -9.110 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -16.103 -1.754 -11.488 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -17.611 -1.893 -12.398 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -18.982 -4.332 -10.237 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -19.239 -3.354 -11.686 1.00 0.00 H new ATOM 583 N LEU A 53 -13.824 -3.104 -4.656 1.00 0.00 N ATOM 584 CA LEU A 53 -12.802 -2.328 -4.052 1.00 0.00 C ATOM 585 C LEU A 53 -11.880 -3.203 -3.202 1.00 0.00 C ATOM 586 O LEU A 53 -10.670 -2.997 -3.156 1.00 0.00 O ATOM 587 CB LEU A 53 -13.443 -1.283 -3.195 1.00 0.00 C ATOM 588 CG LEU A 53 -12.500 -0.530 -2.363 1.00 0.00 C ATOM 589 CD1 LEU A 53 -11.602 0.358 -3.218 1.00 0.00 C ATOM 590 CD2 LEU A 53 -13.227 0.219 -1.283 1.00 0.00 C ATOM 0 H LEU A 53 -14.764 -2.863 -4.342 1.00 0.00 H new ATOM 0 HA LEU A 53 -12.197 -1.862 -4.830 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -13.984 -0.585 -3.835 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -14.180 -1.760 -2.549 1.00 0.00 H new ATOM 0 HG LEU A 53 -11.835 -1.230 -1.858 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -10.913 0.905 -2.575 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -11.036 -0.260 -3.914 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -12.215 1.065 -3.777 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -12.509 0.771 -0.677 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -13.932 0.916 -1.735 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -13.768 -0.486 -0.652 1.00 0.00 H new ATOM 602 N LEU A 54 -12.453 -4.172 -2.538 1.00 0.00 N ATOM 603 CA LEU A 54 -11.681 -5.112 -1.757 1.00 0.00 C ATOM 604 C LEU A 54 -10.728 -5.895 -2.657 1.00 0.00 C ATOM 605 O LEU A 54 -9.610 -6.224 -2.266 1.00 0.00 O ATOM 606 CB LEU A 54 -12.590 -6.002 -0.925 1.00 0.00 C ATOM 607 CG LEU A 54 -13.452 -5.239 0.087 1.00 0.00 C ATOM 608 CD1 LEU A 54 -14.323 -6.173 0.882 1.00 0.00 C ATOM 609 CD2 LEU A 54 -12.586 -4.390 1.008 1.00 0.00 C ATOM 0 H LEU A 54 -13.460 -4.334 -2.521 1.00 0.00 H new ATOM 0 HA LEU A 54 -11.061 -4.565 -1.046 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -13.243 -6.563 -1.593 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -11.979 -6.730 -0.391 1.00 0.00 H new ATOM 0 HG LEU A 54 -14.107 -4.573 -0.474 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -14.921 -5.599 1.590 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -14.983 -6.718 0.207 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -13.697 -6.880 1.426 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -13.221 -3.859 1.717 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -11.894 -5.033 1.552 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -12.022 -3.670 0.415 1.00 0.00 H new ATOM 621 N ARG A 55 -11.165 -6.146 -3.885 1.00 0.00 N ATOM 622 CA ARG A 55 -10.305 -6.804 -4.877 1.00 0.00 C ATOM 623 C ARG A 55 -9.173 -5.847 -5.255 1.00 0.00 C ATOM 624 O ARG A 55 -8.038 -6.264 -5.441 1.00 0.00 O ATOM 625 CB ARG A 55 -11.078 -7.186 -6.152 1.00 0.00 C ATOM 626 CG ARG A 55 -12.268 -8.120 -5.969 1.00 0.00 C ATOM 627 CD ARG A 55 -11.863 -9.480 -5.429 1.00 0.00 C ATOM 628 NE ARG A 55 -13.004 -10.400 -5.402 1.00 0.00 N ATOM 629 CZ ARG A 55 -13.050 -11.580 -4.765 1.00 0.00 C ATOM 630 NH1 ARG A 55 -12.004 -12.018 -4.074 1.00 0.00 N ATOM 631 NH2 ARG A 55 -14.162 -12.309 -4.815 1.00 0.00 N ATOM 0 H ARG A 55 -12.098 -5.909 -4.221 1.00 0.00 H new ATOM 0 HA ARG A 55 -9.919 -7.721 -4.433 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -11.432 -6.270 -6.624 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -10.381 -7.653 -6.847 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.984 -7.661 -5.288 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -12.775 -8.249 -6.925 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -11.069 -9.899 -6.048 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -11.458 -9.369 -4.423 1.00 0.00 H new ATOM 0 HE ARG A 55 -13.839 -10.117 -5.914 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -11.154 -11.456 -4.024 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -12.050 -12.917 -3.594 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -14.971 -11.970 -5.335 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -14.205 -13.207 -4.333 1.00 0.00 H new ATOM 645 N GLU A 56 -9.494 -4.550 -5.329 1.00 0.00 N ATOM 646 CA GLU A 56 -8.513 -3.523 -5.640 1.00 0.00 C ATOM 647 C GLU A 56 -7.427 -3.469 -4.570 1.00 0.00 C ATOM 648 O GLU A 56 -6.246 -3.308 -4.882 1.00 0.00 O ATOM 649 CB GLU A 56 -9.168 -2.133 -5.830 1.00 0.00 C ATOM 650 CG GLU A 56 -8.143 -1.018 -5.993 1.00 0.00 C ATOM 651 CD GLU A 56 -8.721 0.334 -6.338 1.00 0.00 C ATOM 652 OE1 GLU A 56 -9.117 0.540 -7.519 1.00 0.00 O ATOM 653 OE2 GLU A 56 -8.764 1.225 -5.470 1.00 0.00 O ATOM 0 H GLU A 56 -10.437 -4.192 -5.175 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.051 -3.795 -6.589 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.815 -2.157 -6.707 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -9.803 -1.915 -4.971 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.575 -0.928 -5.067 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.437 -1.305 -6.773 1.00 0.00 H new ATOM 660 N LEU A 57 -7.805 -3.658 -3.322 1.00 0.00 N ATOM 661 CA LEU A 57 -6.833 -3.639 -2.269 1.00 0.00 C ATOM 662 C LEU A 57 -5.977 -4.882 -2.308 1.00 0.00 C ATOM 663 O LEU A 57 -4.817 -4.842 -1.924 1.00 0.00 O ATOM 664 CB LEU A 57 -7.406 -3.274 -0.879 1.00 0.00 C ATOM 665 CG LEU A 57 -8.403 -4.203 -0.206 1.00 0.00 C ATOM 666 CD1 LEU A 57 -7.713 -5.414 0.395 1.00 0.00 C ATOM 667 CD2 LEU A 57 -9.173 -3.444 0.847 1.00 0.00 C ATOM 0 H LEU A 57 -8.766 -3.824 -3.023 1.00 0.00 H new ATOM 0 HA LEU A 57 -6.162 -2.802 -2.461 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -6.562 -3.156 -0.200 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.881 -2.297 -0.969 1.00 0.00 H new ATOM 0 HG LEU A 57 -9.099 -4.570 -0.960 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -8.454 -6.058 0.868 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -7.200 -5.968 -0.391 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -6.988 -5.087 1.140 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -9.887 -4.112 1.328 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -8.481 -3.054 1.594 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -9.708 -2.616 0.381 1.00 0.00 H new ATOM 679 N THR A 58 -6.554 -5.988 -2.786 1.00 0.00 N ATOM 680 CA THR A 58 -5.792 -7.197 -2.990 1.00 0.00 C ATOM 681 C THR A 58 -4.675 -6.915 -4.037 1.00 0.00 C ATOM 682 O THR A 58 -3.508 -7.336 -3.888 1.00 0.00 O ATOM 683 CB THR A 58 -6.707 -8.352 -3.473 1.00 0.00 C ATOM 684 OG1 THR A 58 -7.806 -8.503 -2.551 1.00 0.00 O ATOM 685 CG2 THR A 58 -5.935 -9.666 -3.541 1.00 0.00 C ATOM 0 H THR A 58 -7.541 -6.059 -3.034 1.00 0.00 H new ATOM 0 HA THR A 58 -5.343 -7.504 -2.045 1.00 0.00 H new ATOM 0 HB THR A 58 -7.075 -8.109 -4.470 1.00 0.00 H new ATOM 0 HG1 THR A 58 -8.408 -7.734 -2.631 1.00 0.00 H new ATOM 0 HG21 THR A 58 -6.599 -10.461 -3.882 1.00 0.00 H new ATOM 0 HG22 THR A 58 -5.103 -9.564 -4.238 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.551 -9.914 -2.551 1.00 0.00 H new ATOM 693 N VAL A 59 -5.032 -6.144 -5.053 1.00 0.00 N ATOM 694 CA VAL A 59 -4.084 -5.719 -6.066 1.00 0.00 C ATOM 695 C VAL A 59 -3.071 -4.767 -5.425 1.00 0.00 C ATOM 696 O VAL A 59 -1.873 -4.843 -5.691 1.00 0.00 O ATOM 697 CB VAL A 59 -4.787 -4.980 -7.248 1.00 0.00 C ATOM 698 CG1 VAL A 59 -3.796 -4.627 -8.344 1.00 0.00 C ATOM 699 CG2 VAL A 59 -5.925 -5.801 -7.818 1.00 0.00 C ATOM 0 H VAL A 59 -5.981 -5.798 -5.196 1.00 0.00 H new ATOM 0 HA VAL A 59 -3.595 -6.608 -6.464 1.00 0.00 H new ATOM 0 HB VAL A 59 -5.202 -4.056 -6.846 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.316 -4.113 -9.153 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -3.022 -3.975 -7.939 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.338 -5.539 -8.728 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.391 -5.256 -8.639 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -5.539 -6.751 -8.187 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -6.665 -5.987 -7.039 1.00 0.00 H new ATOM 709 N SER A 60 -3.572 -3.899 -4.560 1.00 0.00 N ATOM 710 CA SER A 60 -2.769 -2.902 -3.882 1.00 0.00 C ATOM 711 C SER A 60 -1.677 -3.549 -3.049 1.00 0.00 C ATOM 712 O SER A 60 -0.486 -3.208 -3.183 1.00 0.00 O ATOM 713 CB SER A 60 -3.659 -1.952 -3.051 1.00 0.00 C ATOM 714 OG SER A 60 -2.929 -0.857 -2.526 1.00 0.00 O ATOM 0 H SER A 60 -4.560 -3.869 -4.308 1.00 0.00 H new ATOM 0 HA SER A 60 -2.268 -2.294 -4.635 1.00 0.00 H new ATOM 0 HB2 SER A 60 -4.471 -1.579 -3.675 1.00 0.00 H new ATOM 0 HB3 SER A 60 -4.116 -2.508 -2.232 1.00 0.00 H new ATOM 0 HG SER A 60 -3.530 -0.281 -2.009 1.00 0.00 H new ATOM 720 N GLU A 61 -2.056 -4.528 -2.262 1.00 0.00 N ATOM 721 CA GLU A 61 -1.098 -5.246 -1.457 1.00 0.00 C ATOM 722 C GLU A 61 -0.113 -6.002 -2.342 1.00 0.00 C ATOM 723 O GLU A 61 1.051 -6.169 -1.991 1.00 0.00 O ATOM 724 CB GLU A 61 -1.750 -6.150 -0.394 1.00 0.00 C ATOM 725 CG GLU A 61 -2.634 -7.255 -0.916 1.00 0.00 C ATOM 726 CD GLU A 61 -3.258 -8.035 0.205 1.00 0.00 C ATOM 727 OE1 GLU A 61 -4.295 -7.606 0.733 1.00 0.00 O ATOM 728 OE2 GLU A 61 -2.707 -9.078 0.607 1.00 0.00 O ATOM 0 H GLU A 61 -3.020 -4.845 -2.162 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.538 -4.504 -0.888 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -0.959 -6.598 0.207 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -2.342 -5.523 0.273 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -3.416 -6.830 -1.545 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -2.048 -7.925 -1.545 1.00 0.00 H new ATOM 735 N ALA A 62 -0.577 -6.410 -3.517 1.00 0.00 N ATOM 736 CA ALA A 62 0.264 -7.129 -4.454 1.00 0.00 C ATOM 737 C ALA A 62 1.394 -6.274 -5.021 1.00 0.00 C ATOM 738 O ALA A 62 2.552 -6.725 -5.062 1.00 0.00 O ATOM 739 CB ALA A 62 -0.546 -7.758 -5.570 1.00 0.00 C ATOM 0 H ALA A 62 -1.532 -6.253 -3.840 1.00 0.00 H new ATOM 0 HA ALA A 62 0.731 -7.928 -3.878 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.121 -8.287 -6.250 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -1.264 -8.460 -5.147 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.078 -6.980 -6.116 1.00 0.00 H new ATOM 745 N PHE A 63 1.106 -5.048 -5.438 1.00 0.00 N ATOM 746 CA PHE A 63 2.170 -4.241 -6.019 1.00 0.00 C ATOM 747 C PHE A 63 3.087 -3.686 -4.974 1.00 0.00 C ATOM 748 O PHE A 63 4.295 -3.530 -5.211 1.00 0.00 O ATOM 749 CB PHE A 63 1.721 -3.192 -7.064 1.00 0.00 C ATOM 750 CG PHE A 63 0.561 -2.355 -6.674 1.00 0.00 C ATOM 751 CD1 PHE A 63 0.666 -1.406 -5.679 1.00 0.00 C ATOM 752 CD2 PHE A 63 -0.648 -2.533 -7.302 1.00 0.00 C ATOM 753 CE1 PHE A 63 -0.425 -0.666 -5.314 1.00 0.00 C ATOM 754 CE2 PHE A 63 -1.733 -1.787 -6.951 1.00 0.00 C ATOM 755 CZ PHE A 63 -1.620 -0.861 -5.954 1.00 0.00 C ATOM 0 H PHE A 63 0.188 -4.606 -5.389 1.00 0.00 H new ATOM 0 HA PHE A 63 2.750 -4.943 -6.618 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.564 -2.535 -7.279 1.00 0.00 H new ATOM 0 HB3 PHE A 63 1.477 -3.711 -7.991 1.00 0.00 H new ATOM 0 HD1 PHE A 63 1.614 -1.246 -5.186 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -0.740 -3.273 -8.083 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -0.344 0.068 -4.526 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -2.676 -1.927 -7.458 1.00 0.00 H new ATOM 0 HZ PHE A 63 -2.482 -0.276 -5.667 1.00 0.00 H new ATOM 765 N ILE A 64 2.547 -3.394 -3.798 1.00 0.00 N ATOM 766 CA ILE A 64 3.389 -2.929 -2.741 1.00 0.00 C ATOM 767 C ILE A 64 4.321 -4.055 -2.267 1.00 0.00 C ATOM 768 O ILE A 64 5.479 -3.800 -1.924 1.00 0.00 O ATOM 769 CB ILE A 64 2.658 -2.225 -1.562 1.00 0.00 C ATOM 770 CG1 ILE A 64 3.706 -1.630 -0.637 1.00 0.00 C ATOM 771 CG2 ILE A 64 1.757 -3.187 -0.809 1.00 0.00 C ATOM 772 CD1 ILE A 64 3.172 -0.851 0.530 1.00 0.00 C ATOM 0 H ILE A 64 1.556 -3.473 -3.570 1.00 0.00 H new ATOM 0 HA ILE A 64 3.988 -2.128 -3.173 1.00 0.00 H new ATOM 0 HB ILE A 64 2.016 -1.437 -1.956 1.00 0.00 H new ATOM 0 HG12 ILE A 64 4.330 -2.438 -0.256 1.00 0.00 H new ATOM 0 HG13 ILE A 64 4.353 -0.976 -1.222 1.00 0.00 H new ATOM 0 HG21 ILE A 64 1.263 -2.660 0.007 1.00 0.00 H new ATOM 0 HG22 ILE A 64 1.006 -3.589 -1.488 1.00 0.00 H new ATOM 0 HG23 ILE A 64 2.354 -4.004 -0.404 1.00 0.00 H new ATOM 0 HD11 ILE A 64 4.003 -0.471 1.125 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.574 -0.015 0.167 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.551 -1.500 1.147 1.00 0.00 H new ATOM 784 N GLU A 65 3.829 -5.304 -2.289 1.00 0.00 N ATOM 785 CA GLU A 65 4.660 -6.448 -1.966 1.00 0.00 C ATOM 786 C GLU A 65 5.840 -6.524 -2.941 1.00 0.00 C ATOM 787 O GLU A 65 6.995 -6.685 -2.527 1.00 0.00 O ATOM 788 CB GLU A 65 3.854 -7.748 -1.982 1.00 0.00 C ATOM 789 CG GLU A 65 4.702 -8.962 -1.690 1.00 0.00 C ATOM 790 CD GLU A 65 3.916 -10.226 -1.550 1.00 0.00 C ATOM 791 OE1 GLU A 65 3.659 -10.895 -2.570 1.00 0.00 O ATOM 792 OE2 GLU A 65 3.565 -10.593 -0.413 1.00 0.00 O ATOM 0 H GLU A 65 2.864 -5.535 -2.527 1.00 0.00 H new ATOM 0 HA GLU A 65 5.044 -6.319 -0.954 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.053 -7.683 -1.245 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.381 -7.866 -2.957 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.432 -9.085 -2.490 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.263 -8.790 -0.771 1.00 0.00 H new ATOM 799 N GLY A 66 5.548 -6.333 -4.220 1.00 0.00 N ATOM 800 CA GLY A 66 6.591 -6.312 -5.228 1.00 0.00 C ATOM 801 C GLY A 66 7.571 -5.168 -4.997 1.00 0.00 C ATOM 802 O GLY A 66 8.782 -5.318 -5.191 1.00 0.00 O ATOM 0 H GLY A 66 4.604 -6.192 -4.579 1.00 0.00 H new ATOM 0 HA2 GLY A 66 7.128 -7.260 -5.216 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.141 -6.213 -6.216 1.00 0.00 H new ATOM 806 N SER A 67 7.056 -4.049 -4.512 1.00 0.00 N ATOM 807 CA SER A 67 7.860 -2.881 -4.258 1.00 0.00 C ATOM 808 C SER A 67 8.797 -3.138 -3.083 1.00 0.00 C ATOM 809 O SER A 67 9.981 -2.809 -3.135 1.00 0.00 O ATOM 810 CB SER A 67 6.967 -1.671 -3.971 1.00 0.00 C ATOM 811 OG SER A 67 6.063 -1.412 -5.048 1.00 0.00 O ATOM 0 H SER A 67 6.068 -3.933 -4.286 1.00 0.00 H new ATOM 0 HA SER A 67 8.457 -2.667 -5.144 1.00 0.00 H new ATOM 0 HB2 SER A 67 6.402 -1.845 -3.056 1.00 0.00 H new ATOM 0 HB3 SER A 67 7.589 -0.793 -3.799 1.00 0.00 H new ATOM 0 HG SER A 67 5.351 -2.085 -5.046 1.00 0.00 H new ATOM 817 N ARG A 68 8.271 -3.749 -2.037 1.00 0.00 N ATOM 818 CA ARG A 68 9.087 -4.045 -0.875 1.00 0.00 C ATOM 819 C ARG A 68 10.106 -5.129 -1.157 1.00 0.00 C ATOM 820 O ARG A 68 11.230 -5.086 -0.642 1.00 0.00 O ATOM 821 CB ARG A 68 8.288 -4.262 0.427 1.00 0.00 C ATOM 822 CG ARG A 68 7.252 -5.366 0.361 1.00 0.00 C ATOM 823 CD ARG A 68 6.501 -5.536 1.678 1.00 0.00 C ATOM 824 NE ARG A 68 7.369 -5.996 2.776 1.00 0.00 N ATOM 825 CZ ARG A 68 7.065 -5.937 4.089 1.00 0.00 C ATOM 826 NH1 ARG A 68 5.932 -5.387 4.493 1.00 0.00 N ATOM 827 NH2 ARG A 68 7.888 -6.452 4.993 1.00 0.00 N ATOM 0 H ARG A 68 7.298 -4.046 -1.968 1.00 0.00 H new ATOM 0 HA ARG A 68 9.655 -3.136 -0.675 1.00 0.00 H new ATOM 0 HB2 ARG A 68 8.987 -4.487 1.232 1.00 0.00 H new ATOM 0 HB3 ARG A 68 7.788 -3.330 0.690 1.00 0.00 H new ATOM 0 HG2 ARG A 68 6.540 -5.146 -0.435 1.00 0.00 H new ATOM 0 HG3 ARG A 68 7.741 -6.305 0.101 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.045 -4.586 1.956 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.690 -6.251 1.539 1.00 0.00 H new ATOM 0 HE ARG A 68 8.274 -6.392 2.523 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.279 -5.003 3.810 1.00 0.00 H new ATOM 0 HH12 ARG A 68 5.711 -5.347 5.488 1.00 0.00 H new ATOM 0 HH21 ARG A 68 8.757 -6.896 4.697 1.00 0.00 H new ATOM 0 HH22 ARG A 68 7.652 -6.404 5.984 1.00 0.00 H new ATOM 841 N GLY A 69 9.727 -6.069 -2.008 1.00 0.00 N ATOM 842 CA GLY A 69 10.650 -7.071 -2.454 1.00 0.00 C ATOM 843 C GLY A 69 11.758 -6.435 -3.269 1.00 0.00 C ATOM 844 O GLY A 69 12.897 -6.870 -3.226 1.00 0.00 O ATOM 0 H GLY A 69 8.787 -6.150 -2.396 1.00 0.00 H new ATOM 0 HA2 GLY A 69 11.073 -7.594 -1.596 1.00 0.00 H new ATOM 0 HA3 GLY A 69 10.128 -7.815 -3.055 1.00 0.00 H new ATOM 848 N TYR A 70 11.428 -5.335 -3.946 1.00 0.00 N ATOM 849 CA TYR A 70 12.392 -4.626 -4.784 1.00 0.00 C ATOM 850 C TYR A 70 13.433 -3.999 -3.898 1.00 0.00 C ATOM 851 O TYR A 70 14.619 -4.019 -4.201 1.00 0.00 O ATOM 852 CB TYR A 70 11.694 -3.555 -5.662 1.00 0.00 C ATOM 853 CG TYR A 70 12.648 -2.695 -6.479 1.00 0.00 C ATOM 854 CD1 TYR A 70 13.242 -3.184 -7.635 1.00 0.00 C ATOM 855 CD2 TYR A 70 12.968 -1.399 -6.076 1.00 0.00 C ATOM 856 CE1 TYR A 70 14.125 -2.411 -8.365 1.00 0.00 C ATOM 857 CE2 TYR A 70 13.850 -0.626 -6.796 1.00 0.00 C ATOM 858 CZ TYR A 70 14.427 -1.131 -7.937 1.00 0.00 C ATOM 859 OH TYR A 70 15.331 -0.358 -8.647 1.00 0.00 O ATOM 0 H TYR A 70 10.498 -4.916 -3.930 1.00 0.00 H new ATOM 0 HA TYR A 70 12.867 -5.334 -5.463 1.00 0.00 H new ATOM 0 HB2 TYR A 70 11.001 -4.053 -6.340 1.00 0.00 H new ATOM 0 HB3 TYR A 70 11.099 -2.906 -5.019 1.00 0.00 H new ATOM 0 HD1 TYR A 70 13.010 -4.185 -7.969 1.00 0.00 H new ATOM 0 HD2 TYR A 70 12.515 -0.995 -5.183 1.00 0.00 H new ATOM 0 HE1 TYR A 70 14.576 -2.804 -9.264 1.00 0.00 H new ATOM 0 HE2 TYR A 70 14.088 0.374 -6.466 1.00 0.00 H new ATOM 0 HH TYR A 70 16.097 -0.142 -8.075 1.00 0.00 H new ATOM 869 N PHE A 71 12.979 -3.491 -2.776 1.00 0.00 N ATOM 870 CA PHE A 71 13.852 -2.900 -1.798 1.00 0.00 C ATOM 871 C PHE A 71 14.809 -3.915 -1.230 1.00 0.00 C ATOM 872 O PHE A 71 15.964 -3.598 -0.994 1.00 0.00 O ATOM 873 CB PHE A 71 13.102 -2.131 -0.726 1.00 0.00 C ATOM 874 CG PHE A 71 12.397 -0.927 -1.274 1.00 0.00 C ATOM 875 CD1 PHE A 71 13.061 -0.043 -2.112 1.00 0.00 C ATOM 876 CD2 PHE A 71 11.075 -0.693 -0.987 1.00 0.00 C ATOM 877 CE1 PHE A 71 12.416 1.050 -2.642 1.00 0.00 C ATOM 878 CE2 PHE A 71 10.426 0.396 -1.519 1.00 0.00 C ATOM 879 CZ PHE A 71 11.095 1.269 -2.345 1.00 0.00 C ATOM 0 H PHE A 71 11.992 -3.478 -2.519 1.00 0.00 H new ATOM 0 HA PHE A 71 14.453 -2.154 -2.318 1.00 0.00 H new ATOM 0 HB2 PHE A 71 12.375 -2.790 -0.252 1.00 0.00 H new ATOM 0 HB3 PHE A 71 13.801 -1.818 0.049 1.00 0.00 H new ATOM 0 HD1 PHE A 71 14.100 -0.216 -2.352 1.00 0.00 H new ATOM 0 HD2 PHE A 71 10.540 -1.370 -0.338 1.00 0.00 H new ATOM 0 HE1 PHE A 71 12.947 1.733 -3.289 1.00 0.00 H new ATOM 0 HE2 PHE A 71 9.385 0.567 -1.287 1.00 0.00 H new ATOM 0 HZ PHE A 71 10.582 2.124 -2.759 1.00 0.00 H new ATOM 889 N GLN A 72 14.322 -5.134 -1.006 1.00 0.00 N ATOM 890 CA GLN A 72 15.181 -6.228 -0.560 1.00 0.00 C ATOM 891 C GLN A 72 16.323 -6.426 -1.550 1.00 0.00 C ATOM 892 O GLN A 72 17.470 -6.576 -1.157 1.00 0.00 O ATOM 893 CB GLN A 72 14.397 -7.531 -0.407 1.00 0.00 C ATOM 894 CG GLN A 72 13.262 -7.450 0.590 1.00 0.00 C ATOM 895 CD GLN A 72 13.719 -7.019 1.968 1.00 0.00 C ATOM 896 OE1 GLN A 72 14.858 -7.285 2.391 1.00 0.00 O ATOM 897 NE2 GLN A 72 12.847 -6.355 2.683 1.00 0.00 N ATOM 0 H GLN A 72 13.341 -5.388 -1.125 1.00 0.00 H new ATOM 0 HA GLN A 72 15.583 -5.961 0.417 1.00 0.00 H new ATOM 0 HB2 GLN A 72 13.994 -7.818 -1.379 1.00 0.00 H new ATOM 0 HB3 GLN A 72 15.082 -8.322 -0.100 1.00 0.00 H new ATOM 0 HG2 GLN A 72 12.513 -6.747 0.225 1.00 0.00 H new ATOM 0 HG3 GLN A 72 12.777 -8.424 0.661 1.00 0.00 H new ATOM 0 HE21 GLN A 72 11.922 -6.155 2.303 1.00 0.00 H new ATOM 0 HE22 GLN A 72 13.092 -6.037 3.621 1.00 0.00 H new ATOM 906 N ARG A 73 15.998 -6.379 -2.837 1.00 0.00 N ATOM 907 CA ARG A 73 17.015 -6.477 -3.888 1.00 0.00 C ATOM 908 C ARG A 73 17.978 -5.296 -3.821 1.00 0.00 C ATOM 909 O ARG A 73 19.199 -5.471 -3.947 1.00 0.00 O ATOM 910 CB ARG A 73 16.399 -6.573 -5.304 1.00 0.00 C ATOM 911 CG ARG A 73 15.867 -7.948 -5.727 1.00 0.00 C ATOM 912 CD ARG A 73 14.742 -8.454 -4.854 1.00 0.00 C ATOM 913 NE ARG A 73 14.270 -9.786 -5.255 1.00 0.00 N ATOM 914 CZ ARG A 73 13.001 -10.091 -5.598 1.00 0.00 C ATOM 915 NH1 ARG A 73 12.093 -9.125 -5.744 1.00 0.00 N ATOM 916 NH2 ARG A 73 12.662 -11.355 -5.833 1.00 0.00 N ATOM 0 H ARG A 73 15.044 -6.274 -3.181 1.00 0.00 H new ATOM 0 HA ARG A 73 17.562 -7.402 -3.705 1.00 0.00 H new ATOM 0 HB2 ARG A 73 15.581 -5.856 -5.369 1.00 0.00 H new ATOM 0 HB3 ARG A 73 17.154 -6.262 -6.026 1.00 0.00 H new ATOM 0 HG2 ARG A 73 15.519 -7.892 -6.758 1.00 0.00 H new ATOM 0 HG3 ARG A 73 16.685 -8.668 -5.705 1.00 0.00 H new ATOM 0 HD2 ARG A 73 15.079 -8.489 -3.818 1.00 0.00 H new ATOM 0 HD3 ARG A 73 13.911 -7.750 -4.895 1.00 0.00 H new ATOM 0 HE ARG A 73 14.956 -10.540 -5.276 1.00 0.00 H new ATOM 0 HH11 ARG A 73 12.357 -8.151 -5.596 1.00 0.00 H new ATOM 0 HH12 ARG A 73 11.135 -9.360 -6.003 1.00 0.00 H new ATOM 0 HH21 ARG A 73 13.361 -12.094 -5.754 1.00 0.00 H new ATOM 0 HH22 ARG A 73 11.703 -11.586 -6.092 1.00 0.00 H new ATOM 930 N GLU A 74 17.437 -4.113 -3.596 1.00 0.00 N ATOM 931 CA GLU A 74 18.230 -2.889 -3.499 1.00 0.00 C ATOM 932 C GLU A 74 19.175 -2.915 -2.300 1.00 0.00 C ATOM 933 O GLU A 74 20.295 -2.403 -2.370 1.00 0.00 O ATOM 934 CB GLU A 74 17.346 -1.644 -3.481 1.00 0.00 C ATOM 935 CG GLU A 74 16.497 -1.461 -4.733 1.00 0.00 C ATOM 936 CD GLU A 74 17.304 -1.210 -6.000 1.00 0.00 C ATOM 937 OE1 GLU A 74 17.944 -2.141 -6.516 1.00 0.00 O ATOM 938 OE2 GLU A 74 17.292 -0.057 -6.511 1.00 0.00 O ATOM 0 H GLU A 74 16.435 -3.967 -3.474 1.00 0.00 H new ATOM 0 HA GLU A 74 18.847 -2.841 -4.396 1.00 0.00 H new ATOM 0 HB2 GLU A 74 16.688 -1.692 -2.613 1.00 0.00 H new ATOM 0 HB3 GLU A 74 17.978 -0.765 -3.353 1.00 0.00 H new ATOM 0 HG2 GLU A 74 15.883 -2.350 -4.876 1.00 0.00 H new ATOM 0 HG3 GLU A 74 15.815 -0.625 -4.578 1.00 0.00 H new ATOM 945 N LEU A 75 18.746 -3.553 -1.235 1.00 0.00 N ATOM 946 CA LEU A 75 19.558 -3.720 -0.037 1.00 0.00 C ATOM 947 C LEU A 75 20.737 -4.657 -0.296 1.00 0.00 C ATOM 948 O LEU A 75 21.713 -4.678 0.470 1.00 0.00 O ATOM 949 CB LEU A 75 18.705 -4.244 1.133 1.00 0.00 C ATOM 950 CG LEU A 75 17.643 -3.279 1.688 1.00 0.00 C ATOM 951 CD1 LEU A 75 16.748 -3.990 2.687 1.00 0.00 C ATOM 952 CD2 LEU A 75 18.309 -2.090 2.362 1.00 0.00 C ATOM 0 H LEU A 75 17.820 -3.975 -1.169 1.00 0.00 H new ATOM 0 HA LEU A 75 19.954 -2.741 0.234 1.00 0.00 H new ATOM 0 HB2 LEU A 75 18.203 -5.156 0.809 1.00 0.00 H new ATOM 0 HB3 LEU A 75 19.374 -4.521 1.947 1.00 0.00 H new ATOM 0 HG LEU A 75 17.036 -2.926 0.854 1.00 0.00 H new ATOM 0 HD11 LEU A 75 16.003 -3.292 3.069 1.00 0.00 H new ATOM 0 HD12 LEU A 75 16.246 -4.824 2.197 1.00 0.00 H new ATOM 0 HD13 LEU A 75 17.351 -4.365 3.514 1.00 0.00 H new ATOM 0 HD21 LEU A 75 17.545 -1.416 2.750 1.00 0.00 H new ATOM 0 HD22 LEU A 75 18.934 -2.440 3.183 1.00 0.00 H new ATOM 0 HD23 LEU A 75 18.926 -1.560 1.637 1.00 0.00 H new ATOM 964 N LYS A 76 20.664 -5.399 -1.379 1.00 0.00 N ATOM 965 CA LYS A 76 21.686 -6.374 -1.717 1.00 0.00 C ATOM 966 C LYS A 76 22.598 -5.857 -2.832 1.00 0.00 C ATOM 967 O LYS A 76 23.616 -6.455 -3.143 1.00 0.00 O ATOM 968 CB LYS A 76 21.011 -7.678 -2.135 1.00 0.00 C ATOM 969 CG LYS A 76 20.160 -8.303 -1.031 1.00 0.00 C ATOM 970 CD LYS A 76 19.376 -9.512 -1.523 1.00 0.00 C ATOM 971 CE LYS A 76 20.282 -10.654 -1.953 1.00 0.00 C ATOM 972 NZ LYS A 76 21.110 -11.159 -0.839 1.00 0.00 N ATOM 0 H LYS A 76 19.898 -5.346 -2.051 1.00 0.00 H new ATOM 0 HA LYS A 76 22.311 -6.550 -0.842 1.00 0.00 H new ATOM 0 HB2 LYS A 76 20.382 -7.490 -3.005 1.00 0.00 H new ATOM 0 HB3 LYS A 76 21.775 -8.392 -2.442 1.00 0.00 H new ATOM 0 HG2 LYS A 76 20.804 -8.602 -0.204 1.00 0.00 H new ATOM 0 HG3 LYS A 76 19.467 -7.557 -0.642 1.00 0.00 H new ATOM 0 HD2 LYS A 76 18.711 -9.857 -0.731 1.00 0.00 H new ATOM 0 HD3 LYS A 76 18.746 -9.216 -2.362 1.00 0.00 H new ATOM 0 HE2 LYS A 76 19.675 -11.468 -2.350 1.00 0.00 H new ATOM 0 HE3 LYS A 76 20.930 -10.316 -2.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 21.557 -12.056 -1.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 21.847 -10.462 -0.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 20.510 -11.315 -0.004 1.00 0.00 H new ATOM 986 N ARG A 77 22.227 -4.720 -3.395 1.00 0.00 N ATOM 987 CA ARG A 77 22.918 -4.103 -4.543 1.00 0.00 C ATOM 988 C ARG A 77 24.358 -3.717 -4.268 1.00 0.00 C ATOM 989 O ARG A 77 25.221 -3.905 -5.114 1.00 0.00 O ATOM 990 CB ARG A 77 22.178 -2.843 -4.956 1.00 0.00 C ATOM 991 CG ARG A 77 20.874 -3.083 -5.640 1.00 0.00 C ATOM 992 CD ARG A 77 21.073 -3.482 -7.071 1.00 0.00 C ATOM 993 NE ARG A 77 21.678 -2.395 -7.849 1.00 0.00 N ATOM 994 CZ ARG A 77 20.976 -1.527 -8.594 1.00 0.00 C ATOM 995 NH1 ARG A 77 19.652 -1.416 -8.432 1.00 0.00 N ATOM 996 NH2 ARG A 77 21.606 -0.706 -9.427 1.00 0.00 N ATOM 0 H ARG A 77 21.424 -4.181 -3.071 1.00 0.00 H new ATOM 0 HA ARG A 77 22.925 -4.861 -5.326 1.00 0.00 H new ATOM 0 HB2 ARG A 77 22.001 -2.234 -4.069 1.00 0.00 H new ATOM 0 HB3 ARG A 77 22.819 -2.262 -5.619 1.00 0.00 H new ATOM 0 HG2 ARG A 77 20.325 -3.865 -5.116 1.00 0.00 H new ATOM 0 HG3 ARG A 77 20.265 -2.180 -5.594 1.00 0.00 H new ATOM 0 HD2 ARG A 77 21.710 -4.365 -7.119 1.00 0.00 H new ATOM 0 HD3 ARG A 77 20.114 -3.757 -7.511 1.00 0.00 H new ATOM 0 HE ARG A 77 22.693 -2.293 -7.822 1.00 0.00 H new ATOM 0 HH11 ARG A 77 19.173 -1.992 -7.740 1.00 0.00 H new ATOM 0 HH12 ARG A 77 19.122 -0.755 -9.000 1.00 0.00 H new ATOM 0 HH21 ARG A 77 22.623 -0.735 -9.500 1.00 0.00 H new ATOM 0 HH22 ARG A 77 21.073 -0.046 -9.993 1.00 0.00 H new ATOM 1010 N THR A 78 24.587 -3.146 -3.094 1.00 0.00 N ATOM 1011 CA THR A 78 25.872 -2.519 -2.706 1.00 0.00 C ATOM 1012 C THR A 78 25.977 -1.105 -3.380 1.00 0.00 C ATOM 1013 O THR A 78 26.889 -0.334 -3.134 1.00 0.00 O ATOM 1014 CB THR A 78 27.112 -3.413 -3.052 1.00 0.00 C ATOM 1015 OG1 THR A 78 26.848 -4.778 -2.642 1.00 0.00 O ATOM 1016 CG2 THR A 78 28.355 -2.934 -2.316 1.00 0.00 C ATOM 0 H THR A 78 23.880 -3.097 -2.360 1.00 0.00 H new ATOM 0 HA THR A 78 25.883 -2.409 -1.622 1.00 0.00 H new ATOM 0 HB THR A 78 27.282 -3.351 -4.127 1.00 0.00 H new ATOM 0 HG1 THR A 78 27.621 -5.340 -2.859 1.00 0.00 H new ATOM 0 HG21 THR A 78 29.200 -3.572 -2.575 1.00 0.00 H new ATOM 0 HG22 THR A 78 28.575 -1.906 -2.604 1.00 0.00 H new ATOM 0 HG23 THR A 78 28.182 -2.980 -1.241 1.00 0.00 H new ATOM 1024 N ASP A 79 24.980 -0.793 -4.221 1.00 0.00 N ATOM 1025 CA ASP A 79 24.857 0.520 -4.900 1.00 0.00 C ATOM 1026 C ASP A 79 24.309 1.545 -3.942 1.00 0.00 C ATOM 1027 O ASP A 79 24.341 2.743 -4.192 1.00 0.00 O ATOM 1028 CB ASP A 79 23.901 0.437 -6.104 1.00 0.00 C ATOM 1029 CG ASP A 79 24.449 -0.338 -7.267 1.00 0.00 C ATOM 1030 OD1 ASP A 79 24.346 -1.586 -7.277 1.00 0.00 O ATOM 1031 OD2 ASP A 79 24.980 0.283 -8.203 1.00 0.00 O ATOM 0 H ASP A 79 24.229 -1.443 -4.455 1.00 0.00 H new ATOM 0 HA ASP A 79 25.851 0.805 -5.244 1.00 0.00 H new ATOM 0 HB2 ASP A 79 22.967 -0.023 -5.782 1.00 0.00 H new ATOM 0 HB3 ASP A 79 23.661 1.448 -6.435 1.00 0.00 H new ATOM 1036 N LEU A 80 23.780 1.053 -2.874 1.00 0.00 N ATOM 1037 CA LEU A 80 23.212 1.832 -1.853 1.00 0.00 C ATOM 1038 C LEU A 80 24.263 2.112 -0.836 1.00 0.00 C ATOM 1039 O LEU A 80 25.195 1.324 -0.611 1.00 0.00 O ATOM 1040 CB LEU A 80 22.044 1.071 -1.168 1.00 0.00 C ATOM 1041 CG LEU A 80 22.402 -0.039 -0.149 1.00 0.00 C ATOM 1042 CD1 LEU A 80 21.160 -0.508 0.559 1.00 0.00 C ATOM 1043 CD2 LEU A 80 23.087 -1.234 -0.791 1.00 0.00 C ATOM 0 H LEU A 80 23.735 0.051 -2.691 1.00 0.00 H new ATOM 0 HA LEU A 80 22.825 2.757 -2.281 1.00 0.00 H new ATOM 0 HB2 LEU A 80 21.420 1.805 -0.658 1.00 0.00 H new ATOM 0 HB3 LEU A 80 21.433 0.622 -1.951 1.00 0.00 H new ATOM 0 HG LEU A 80 23.104 0.403 0.558 1.00 0.00 H new ATOM 0 HD11 LEU A 80 21.421 -1.289 1.274 1.00 0.00 H new ATOM 0 HD12 LEU A 80 20.704 0.329 1.087 1.00 0.00 H new ATOM 0 HD13 LEU A 80 20.454 -0.905 -0.170 1.00 0.00 H new ATOM 0 HD21 LEU A 80 23.313 -1.978 -0.027 1.00 0.00 H new ATOM 0 HD22 LEU A 80 22.428 -1.672 -1.540 1.00 0.00 H new ATOM 0 HD23 LEU A 80 24.013 -0.910 -1.267 1.00 0.00 H new ATOM 1055 N ASP A 81 24.121 3.199 -0.273 1.00 0.00 N ATOM 1056 CA ASP A 81 24.911 3.621 0.819 1.00 0.00 C ATOM 1057 C ASP A 81 23.904 3.791 1.935 1.00 0.00 C ATOM 1058 O ASP A 81 22.769 3.287 1.810 1.00 0.00 O ATOM 1059 CB ASP A 81 25.610 4.956 0.490 1.00 0.00 C ATOM 1060 CG ASP A 81 26.798 5.239 1.382 1.00 0.00 C ATOM 1061 OD1 ASP A 81 26.621 5.600 2.554 1.00 0.00 O ATOM 1062 OD2 ASP A 81 27.936 5.064 0.931 1.00 0.00 O ATOM 0 H ASP A 81 23.417 3.882 -0.554 1.00 0.00 H new ATOM 0 HA ASP A 81 25.706 2.921 1.075 1.00 0.00 H new ATOM 0 HB2 ASP A 81 25.939 4.941 -0.549 1.00 0.00 H new ATOM 0 HB3 ASP A 81 24.890 5.769 0.585 1.00 0.00 H new ATOM 1067 N LEU A 82 24.241 4.492 2.970 1.00 0.00 N ATOM 1068 CA LEU A 82 23.329 4.703 4.074 1.00 0.00 C ATOM 1069 C LEU A 82 22.122 5.505 3.620 1.00 0.00 C ATOM 1070 O LEU A 82 21.033 5.356 4.152 1.00 0.00 O ATOM 1071 CB LEU A 82 24.022 5.390 5.248 1.00 0.00 C ATOM 1072 CG LEU A 82 25.215 4.655 5.859 1.00 0.00 C ATOM 1073 CD1 LEU A 82 25.810 5.471 6.991 1.00 0.00 C ATOM 1074 CD2 LEU A 82 24.803 3.282 6.362 1.00 0.00 C ATOM 0 H LEU A 82 25.151 4.938 3.084 1.00 0.00 H new ATOM 0 HA LEU A 82 22.989 3.726 4.418 1.00 0.00 H new ATOM 0 HB2 LEU A 82 24.359 6.373 4.918 1.00 0.00 H new ATOM 0 HB3 LEU A 82 23.283 5.553 6.033 1.00 0.00 H new ATOM 0 HG LEU A 82 25.970 4.523 5.084 1.00 0.00 H new ATOM 0 HD11 LEU A 82 26.659 4.937 7.418 1.00 0.00 H new ATOM 0 HD12 LEU A 82 26.144 6.435 6.608 1.00 0.00 H new ATOM 0 HD13 LEU A 82 25.056 5.628 7.762 1.00 0.00 H new ATOM 0 HD21 LEU A 82 25.668 2.778 6.792 1.00 0.00 H new ATOM 0 HD22 LEU A 82 24.030 3.390 7.123 1.00 0.00 H new ATOM 0 HD23 LEU A 82 24.415 2.692 5.532 1.00 0.00 H new ATOM 1086 N LEU A 83 22.336 6.346 2.638 1.00 0.00 N ATOM 1087 CA LEU A 83 21.305 7.229 2.120 1.00 0.00 C ATOM 1088 C LEU A 83 20.209 6.458 1.432 1.00 0.00 C ATOM 1089 O LEU A 83 19.023 6.639 1.726 1.00 0.00 O ATOM 1090 CB LEU A 83 21.909 8.194 1.094 1.00 0.00 C ATOM 1091 CG LEU A 83 22.948 9.240 1.579 1.00 0.00 C ATOM 1092 CD1 LEU A 83 22.415 10.064 2.739 1.00 0.00 C ATOM 1093 CD2 LEU A 83 24.298 8.615 1.915 1.00 0.00 C ATOM 0 H LEU A 83 23.236 6.442 2.168 1.00 0.00 H new ATOM 0 HA LEU A 83 20.890 7.770 2.970 1.00 0.00 H new ATOM 0 HB2 LEU A 83 22.381 7.596 0.315 1.00 0.00 H new ATOM 0 HB3 LEU A 83 21.087 8.736 0.626 1.00 0.00 H new ATOM 0 HG LEU A 83 23.117 9.916 0.741 1.00 0.00 H new ATOM 0 HD11 LEU A 83 23.171 10.785 3.051 1.00 0.00 H new ATOM 0 HD12 LEU A 83 21.515 10.594 2.426 1.00 0.00 H new ATOM 0 HD13 LEU A 83 22.176 9.405 3.574 1.00 0.00 H new ATOM 0 HD21 LEU A 83 24.986 9.392 2.249 1.00 0.00 H new ATOM 0 HD22 LEU A 83 24.171 7.878 2.708 1.00 0.00 H new ATOM 0 HD23 LEU A 83 24.704 8.127 1.029 1.00 0.00 H new ATOM 1105 N GLU A 84 20.596 5.580 0.564 1.00 0.00 N ATOM 1106 CA GLU A 84 19.650 4.796 -0.164 1.00 0.00 C ATOM 1107 C GLU A 84 18.991 3.801 0.766 1.00 0.00 C ATOM 1108 O GLU A 84 17.776 3.637 0.750 1.00 0.00 O ATOM 1109 CB GLU A 84 20.297 4.097 -1.359 1.00 0.00 C ATOM 1110 CG GLU A 84 20.781 5.002 -2.497 1.00 0.00 C ATOM 1111 CD GLU A 84 21.925 5.897 -2.104 1.00 0.00 C ATOM 1112 OE1 GLU A 84 22.789 5.453 -1.324 1.00 0.00 O ATOM 1113 OE2 GLU A 84 22.000 7.051 -2.587 1.00 0.00 O ATOM 0 H GLU A 84 21.572 5.386 0.340 1.00 0.00 H new ATOM 0 HA GLU A 84 18.886 5.461 -0.566 1.00 0.00 H new ATOM 0 HB2 GLU A 84 21.147 3.518 -0.997 1.00 0.00 H new ATOM 0 HB3 GLU A 84 19.579 3.387 -1.769 1.00 0.00 H new ATOM 0 HG2 GLU A 84 21.088 4.382 -3.339 1.00 0.00 H new ATOM 0 HG3 GLU A 84 19.949 5.617 -2.840 1.00 0.00 H new ATOM 1120 N LYS A 85 19.799 3.200 1.635 1.00 0.00 N ATOM 1121 CA LYS A 85 19.338 2.225 2.606 1.00 0.00 C ATOM 1122 C LYS A 85 18.291 2.838 3.499 1.00 0.00 C ATOM 1123 O LYS A 85 17.281 2.204 3.799 1.00 0.00 O ATOM 1124 CB LYS A 85 20.516 1.680 3.439 1.00 0.00 C ATOM 1125 CG LYS A 85 20.126 0.643 4.496 1.00 0.00 C ATOM 1126 CD LYS A 85 21.348 0.005 5.163 1.00 0.00 C ATOM 1127 CE LYS A 85 22.140 -0.855 4.178 1.00 0.00 C ATOM 1128 NZ LYS A 85 23.290 -1.530 4.804 1.00 0.00 N ATOM 0 H LYS A 85 20.802 3.381 1.681 1.00 0.00 H new ATOM 0 HA LYS A 85 18.892 1.387 2.070 1.00 0.00 H new ATOM 0 HB2 LYS A 85 21.245 1.233 2.763 1.00 0.00 H new ATOM 0 HB3 LYS A 85 21.010 2.516 3.934 1.00 0.00 H new ATOM 0 HG2 LYS A 85 19.506 1.118 5.257 1.00 0.00 H new ATOM 0 HG3 LYS A 85 19.520 -0.135 4.032 1.00 0.00 H new ATOM 0 HD2 LYS A 85 21.993 0.786 5.566 1.00 0.00 H new ATOM 0 HD3 LYS A 85 21.026 -0.608 6.005 1.00 0.00 H new ATOM 0 HE2 LYS A 85 21.478 -1.604 3.743 1.00 0.00 H new ATOM 0 HE3 LYS A 85 22.494 -0.229 3.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 23.790 -2.098 4.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 23.939 -0.818 5.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 22.954 -2.151 5.568 1.00 0.00 H new ATOM 1142 N PHE A 86 18.489 4.101 3.838 1.00 0.00 N ATOM 1143 CA PHE A 86 17.584 4.790 4.715 1.00 0.00 C ATOM 1144 C PHE A 86 16.209 4.948 4.066 1.00 0.00 C ATOM 1145 O PHE A 86 15.199 4.863 4.722 1.00 0.00 O ATOM 1146 CB PHE A 86 18.173 6.140 5.155 1.00 0.00 C ATOM 1147 CG PHE A 86 17.320 6.926 6.106 1.00 0.00 C ATOM 1148 CD1 PHE A 86 17.220 6.550 7.429 1.00 0.00 C ATOM 1149 CD2 PHE A 86 16.619 8.037 5.675 1.00 0.00 C ATOM 1150 CE1 PHE A 86 16.441 7.262 8.310 1.00 0.00 C ATOM 1151 CE2 PHE A 86 15.837 8.757 6.553 1.00 0.00 C ATOM 1152 CZ PHE A 86 15.746 8.367 7.872 1.00 0.00 C ATOM 0 H PHE A 86 19.275 4.664 3.513 1.00 0.00 H new ATOM 0 HA PHE A 86 17.448 4.188 5.613 1.00 0.00 H new ATOM 0 HB2 PHE A 86 19.141 5.961 5.622 1.00 0.00 H new ATOM 0 HB3 PHE A 86 18.354 6.746 4.268 1.00 0.00 H new ATOM 0 HD1 PHE A 86 17.762 5.683 7.778 1.00 0.00 H new ATOM 0 HD2 PHE A 86 16.685 8.344 4.641 1.00 0.00 H new ATOM 0 HE1 PHE A 86 16.374 6.955 9.343 1.00 0.00 H new ATOM 0 HE2 PHE A 86 15.296 9.626 6.208 1.00 0.00 H new ATOM 0 HZ PHE A 86 15.131 8.927 8.561 1.00 0.00 H new ATOM 1162 N ASN A 87 16.215 5.104 2.772 1.00 0.00 N ATOM 1163 CA ASN A 87 15.035 5.290 1.969 1.00 0.00 C ATOM 1164 C ASN A 87 14.292 4.004 1.832 1.00 0.00 C ATOM 1165 O ASN A 87 13.070 3.981 1.887 1.00 0.00 O ATOM 1166 CB ASN A 87 15.391 5.846 0.581 1.00 0.00 C ATOM 1167 CG ASN A 87 15.523 7.353 0.550 1.00 0.00 C ATOM 1168 OD1 ASN A 87 14.555 8.045 0.268 1.00 0.00 O ATOM 1169 ND2 ASN A 87 16.691 7.876 0.836 1.00 0.00 N ATOM 0 H ASN A 87 17.075 5.105 2.224 1.00 0.00 H new ATOM 0 HA ASN A 87 14.397 6.016 2.473 1.00 0.00 H new ATOM 0 HB2 ASN A 87 16.329 5.400 0.249 1.00 0.00 H new ATOM 0 HB3 ASN A 87 14.624 5.542 -0.131 1.00 0.00 H new ATOM 0 HD21 ASN A 87 16.812 8.889 0.827 1.00 0.00 H new ATOM 0 HD22 ASN A 87 17.478 7.270 1.067 1.00 0.00 H new ATOM 1176 N PHE A 88 15.031 2.917 1.690 1.00 0.00 N ATOM 1177 CA PHE A 88 14.422 1.614 1.521 1.00 0.00 C ATOM 1178 C PHE A 88 13.804 1.212 2.795 1.00 0.00 C ATOM 1179 O PHE A 88 12.678 0.770 2.809 1.00 0.00 O ATOM 1180 CB PHE A 88 15.410 0.540 1.081 1.00 0.00 C ATOM 1181 CG PHE A 88 16.272 0.936 -0.056 1.00 0.00 C ATOM 1182 CD1 PHE A 88 15.787 1.718 -1.093 1.00 0.00 C ATOM 1183 CD2 PHE A 88 17.587 0.559 -0.070 1.00 0.00 C ATOM 1184 CE1 PHE A 88 16.614 2.118 -2.100 1.00 0.00 C ATOM 1185 CE2 PHE A 88 18.407 0.944 -1.080 1.00 0.00 C ATOM 1186 CZ PHE A 88 17.925 1.724 -2.086 1.00 0.00 C ATOM 0 H PHE A 88 16.051 2.913 1.689 1.00 0.00 H new ATOM 0 HA PHE A 88 13.680 1.703 0.728 1.00 0.00 H new ATOM 0 HB2 PHE A 88 16.044 0.276 1.928 1.00 0.00 H new ATOM 0 HB3 PHE A 88 14.855 -0.357 0.806 1.00 0.00 H new ATOM 0 HD1 PHE A 88 14.748 2.012 -1.103 1.00 0.00 H new ATOM 0 HD2 PHE A 88 17.976 -0.051 0.731 1.00 0.00 H new ATOM 0 HE1 PHE A 88 16.239 2.739 -2.900 1.00 0.00 H new ATOM 0 HE2 PHE A 88 19.441 0.632 -1.086 1.00 0.00 H new ATOM 0 HZ PHE A 88 18.584 2.036 -2.882 1.00 0.00 H new ATOM 1196 N GLU A 89 14.524 1.426 3.889 1.00 0.00 N ATOM 1197 CA GLU A 89 14.001 1.108 5.180 1.00 0.00 C ATOM 1198 C GLU A 89 12.869 2.031 5.490 1.00 0.00 C ATOM 1199 O GLU A 89 11.895 1.634 6.135 1.00 0.00 O ATOM 1200 CB GLU A 89 15.054 1.159 6.273 1.00 0.00 C ATOM 1201 CG GLU A 89 16.201 0.200 6.059 1.00 0.00 C ATOM 1202 CD GLU A 89 17.038 0.030 7.289 1.00 0.00 C ATOM 1203 OE1 GLU A 89 17.832 0.918 7.624 1.00 0.00 O ATOM 1204 OE2 GLU A 89 16.923 -1.033 7.942 1.00 0.00 O ATOM 0 H GLU A 89 15.466 1.817 3.892 1.00 0.00 H new ATOM 0 HA GLU A 89 13.646 0.078 5.152 1.00 0.00 H new ATOM 0 HB2 GLU A 89 15.448 2.173 6.338 1.00 0.00 H new ATOM 0 HB3 GLU A 89 14.582 0.938 7.230 1.00 0.00 H new ATOM 0 HG2 GLU A 89 15.808 -0.770 5.753 1.00 0.00 H new ATOM 0 HG3 GLU A 89 16.827 0.562 5.244 1.00 0.00 H new ATOM 1211 N ALA A 90 12.963 3.272 4.980 1.00 0.00 N ATOM 1212 CA ALA A 90 11.889 4.232 5.238 1.00 0.00 C ATOM 1213 C ALA A 90 10.614 3.764 4.563 1.00 0.00 C ATOM 1214 O ALA A 90 9.523 3.792 5.145 1.00 0.00 O ATOM 1215 CB ALA A 90 12.247 5.639 4.775 1.00 0.00 C ATOM 0 H ALA A 90 13.737 3.618 4.412 1.00 0.00 H new ATOM 0 HA ALA A 90 11.740 4.280 6.317 1.00 0.00 H new ATOM 0 HB1 ALA A 90 11.418 6.314 4.988 1.00 0.00 H new ATOM 0 HB2 ALA A 90 13.138 5.980 5.302 1.00 0.00 H new ATOM 0 HB3 ALA A 90 12.441 5.631 3.702 1.00 0.00 H new ATOM 1221 N ALA A 91 10.767 3.298 3.353 1.00 0.00 N ATOM 1222 CA ALA A 91 9.670 2.806 2.569 1.00 0.00 C ATOM 1223 C ALA A 91 9.164 1.478 3.093 1.00 0.00 C ATOM 1224 O ALA A 91 7.976 1.258 3.115 1.00 0.00 O ATOM 1225 CB ALA A 91 10.062 2.712 1.120 1.00 0.00 C ATOM 0 H ALA A 91 11.669 3.249 2.879 1.00 0.00 H new ATOM 0 HA ALA A 91 8.847 3.516 2.654 1.00 0.00 H new ATOM 0 HB1 ALA A 91 9.219 2.337 0.539 1.00 0.00 H new ATOM 0 HB2 ALA A 91 10.344 3.699 0.755 1.00 0.00 H new ATOM 0 HB3 ALA A 91 10.907 2.031 1.015 1.00 0.00 H new ATOM 1231 N LEU A 92 10.063 0.613 3.534 1.00 0.00 N ATOM 1232 CA LEU A 92 9.681 -0.688 4.099 1.00 0.00 C ATOM 1233 C LEU A 92 8.772 -0.506 5.289 1.00 0.00 C ATOM 1234 O LEU A 92 7.757 -1.180 5.401 1.00 0.00 O ATOM 1235 CB LEU A 92 10.902 -1.537 4.506 1.00 0.00 C ATOM 1236 CG LEU A 92 11.805 -2.055 3.378 1.00 0.00 C ATOM 1237 CD1 LEU A 92 13.008 -2.787 3.953 1.00 0.00 C ATOM 1238 CD2 LEU A 92 11.031 -2.974 2.452 1.00 0.00 C ATOM 0 H LEU A 92 11.069 0.782 3.515 1.00 0.00 H new ATOM 0 HA LEU A 92 9.152 -1.225 3.312 1.00 0.00 H new ATOM 0 HB2 LEU A 92 11.515 -0.943 5.184 1.00 0.00 H new ATOM 0 HB3 LEU A 92 10.542 -2.396 5.072 1.00 0.00 H new ATOM 0 HG LEU A 92 12.157 -1.198 2.804 1.00 0.00 H new ATOM 0 HD11 LEU A 92 13.637 -3.148 3.139 1.00 0.00 H new ATOM 0 HD12 LEU A 92 13.582 -2.106 4.582 1.00 0.00 H new ATOM 0 HD13 LEU A 92 12.668 -3.633 4.551 1.00 0.00 H new ATOM 0 HD21 LEU A 92 11.689 -3.330 1.659 1.00 0.00 H new ATOM 0 HD22 LEU A 92 10.651 -3.825 3.018 1.00 0.00 H new ATOM 0 HD23 LEU A 92 10.196 -2.428 2.012 1.00 0.00 H new ATOM 1250 N ALA A 93 9.109 0.448 6.134 1.00 0.00 N ATOM 1251 CA ALA A 93 8.334 0.714 7.319 1.00 0.00 C ATOM 1252 C ALA A 93 7.004 1.321 6.944 1.00 0.00 C ATOM 1253 O ALA A 93 5.964 0.946 7.493 1.00 0.00 O ATOM 1254 CB ALA A 93 9.100 1.614 8.272 1.00 0.00 C ATOM 0 H ALA A 93 9.921 1.053 6.016 1.00 0.00 H new ATOM 0 HA ALA A 93 8.147 -0.228 7.834 1.00 0.00 H new ATOM 0 HB1 ALA A 93 8.496 1.802 9.160 1.00 0.00 H new ATOM 0 HB2 ALA A 93 10.031 1.127 8.563 1.00 0.00 H new ATOM 0 HB3 ALA A 93 9.324 2.560 7.779 1.00 0.00 H new ATOM 1260 N THR A 94 7.032 2.198 5.948 1.00 0.00 N ATOM 1261 CA THR A 94 5.850 2.871 5.501 1.00 0.00 C ATOM 1262 C THR A 94 4.894 1.854 4.874 1.00 0.00 C ATOM 1263 O THR A 94 3.684 1.819 5.166 1.00 0.00 O ATOM 1264 CB THR A 94 6.210 3.988 4.486 1.00 0.00 C ATOM 1265 OG1 THR A 94 7.132 4.914 5.104 1.00 0.00 O ATOM 1266 CG2 THR A 94 4.968 4.752 4.032 1.00 0.00 C ATOM 0 H THR A 94 7.878 2.452 5.438 1.00 0.00 H new ATOM 0 HA THR A 94 5.359 3.341 6.353 1.00 0.00 H new ATOM 0 HB THR A 94 6.664 3.519 3.613 1.00 0.00 H new ATOM 0 HG1 THR A 94 8.052 4.649 4.894 1.00 0.00 H new ATOM 0 HG21 THR A 94 5.257 5.527 3.322 1.00 0.00 H new ATOM 0 HG22 THR A 94 4.271 4.063 3.554 1.00 0.00 H new ATOM 0 HG23 THR A 94 4.488 5.212 4.896 1.00 0.00 H new ATOM 1274 N GLY A 95 5.472 0.989 4.079 1.00 0.00 N ATOM 1275 CA GLY A 95 4.745 -0.004 3.395 1.00 0.00 C ATOM 1276 C GLY A 95 4.178 -1.043 4.294 1.00 0.00 C ATOM 1277 O GLY A 95 3.051 -1.445 4.113 1.00 0.00 O ATOM 0 H GLY A 95 6.476 0.970 3.899 1.00 0.00 H new ATOM 0 HA2 GLY A 95 3.934 0.467 2.839 1.00 0.00 H new ATOM 0 HA3 GLY A 95 5.397 -0.483 2.664 1.00 0.00 H new ATOM 1281 N ASP A 96 4.950 -1.467 5.273 1.00 0.00 N ATOM 1282 CA ASP A 96 4.522 -2.532 6.168 1.00 0.00 C ATOM 1283 C ASP A 96 3.316 -2.095 6.973 1.00 0.00 C ATOM 1284 O ASP A 96 2.318 -2.812 7.039 1.00 0.00 O ATOM 1285 CB ASP A 96 5.652 -2.968 7.102 1.00 0.00 C ATOM 1286 CG ASP A 96 5.408 -4.340 7.701 1.00 0.00 C ATOM 1287 OD1 ASP A 96 4.721 -4.464 8.723 1.00 0.00 O ATOM 1288 OD2 ASP A 96 5.915 -5.331 7.134 1.00 0.00 O ATOM 0 H ASP A 96 5.878 -1.093 5.472 1.00 0.00 H new ATOM 0 HA ASP A 96 4.246 -3.389 5.553 1.00 0.00 H new ATOM 0 HB2 ASP A 96 6.592 -2.977 6.551 1.00 0.00 H new ATOM 0 HB3 ASP A 96 5.759 -2.238 7.904 1.00 0.00 H new ATOM 1293 N LEU A 97 3.373 -0.874 7.505 1.00 0.00 N ATOM 1294 CA LEU A 97 2.294 -0.359 8.339 1.00 0.00 C ATOM 1295 C LEU A 97 1.008 -0.233 7.533 1.00 0.00 C ATOM 1296 O LEU A 97 -0.063 -0.621 8.002 1.00 0.00 O ATOM 1297 CB LEU A 97 2.669 0.995 8.992 1.00 0.00 C ATOM 1298 CG LEU A 97 2.569 2.253 8.119 1.00 0.00 C ATOM 1299 CD1 LEU A 97 1.254 2.999 8.334 1.00 0.00 C ATOM 1300 CD2 LEU A 97 3.734 3.147 8.335 1.00 0.00 C ATOM 0 H LEU A 97 4.151 -0.228 7.373 1.00 0.00 H new ATOM 0 HA LEU A 97 2.131 -1.074 9.145 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.029 1.138 9.863 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.693 0.920 9.358 1.00 0.00 H new ATOM 0 HG LEU A 97 2.582 1.924 7.080 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.228 3.882 7.695 1.00 0.00 H new ATOM 0 HD12 LEU A 97 0.419 2.345 8.083 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.175 3.303 9.378 1.00 0.00 H new ATOM 0 HD21 LEU A 97 3.637 4.030 7.704 1.00 0.00 H new ATOM 0 HD22 LEU A 97 3.770 3.451 9.381 1.00 0.00 H new ATOM 0 HD23 LEU A 97 4.652 2.617 8.079 1.00 0.00 H new ATOM 1312 N LEU A 98 1.105 0.312 6.318 1.00 0.00 N ATOM 1313 CA LEU A 98 -0.066 0.475 5.489 1.00 0.00 C ATOM 1314 C LEU A 98 -0.537 -0.874 4.985 1.00 0.00 C ATOM 1315 O LEU A 98 -1.690 -1.052 4.709 1.00 0.00 O ATOM 1316 CB LEU A 98 0.156 1.488 4.346 1.00 0.00 C ATOM 1317 CG LEU A 98 0.968 1.017 3.146 1.00 0.00 C ATOM 1318 CD1 LEU A 98 0.076 0.343 2.095 1.00 0.00 C ATOM 1319 CD2 LEU A 98 1.781 2.147 2.538 1.00 0.00 C ATOM 0 H LEU A 98 1.976 0.641 5.901 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.859 0.902 6.103 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -0.821 1.811 3.987 1.00 0.00 H new ATOM 0 HB3 LEU A 98 0.649 2.366 4.764 1.00 0.00 H new ATOM 0 HG LEU A 98 1.673 0.269 3.508 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.687 0.019 1.253 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.419 -0.521 2.538 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.675 1.052 1.747 1.00 0.00 H new ATOM 0 HD21 LEU A 98 2.346 1.771 1.685 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.111 2.941 2.208 1.00 0.00 H new ATOM 0 HD23 LEU A 98 2.470 2.542 3.284 1.00 0.00 H new ATOM 1331 N LEU A 99 0.383 -1.829 4.858 1.00 0.00 N ATOM 1332 CA LEU A 99 0.035 -3.146 4.379 1.00 0.00 C ATOM 1333 C LEU A 99 -0.813 -3.819 5.449 1.00 0.00 C ATOM 1334 O LEU A 99 -1.820 -4.495 5.167 1.00 0.00 O ATOM 1335 CB LEU A 99 1.313 -3.958 4.006 1.00 0.00 C ATOM 1336 CG LEU A 99 1.155 -5.306 3.250 1.00 0.00 C ATOM 1337 CD1 LEU A 99 2.499 -5.728 2.679 1.00 0.00 C ATOM 1338 CD2 LEU A 99 0.642 -6.416 4.161 1.00 0.00 C ATOM 0 H LEU A 99 1.370 -1.706 5.082 1.00 0.00 H new ATOM 0 HA LEU A 99 -0.547 -3.087 3.459 1.00 0.00 H new ATOM 0 HB2 LEU A 99 1.947 -3.312 3.399 1.00 0.00 H new ATOM 0 HB3 LEU A 99 1.856 -4.160 4.930 1.00 0.00 H new ATOM 0 HG LEU A 99 0.426 -5.151 2.455 1.00 0.00 H new ATOM 0 HD11 LEU A 99 2.388 -6.674 2.149 1.00 0.00 H new ATOM 0 HD12 LEU A 99 2.857 -4.964 1.988 1.00 0.00 H new ATOM 0 HD13 LEU A 99 3.217 -5.849 3.490 1.00 0.00 H new ATOM 0 HD21 LEU A 99 0.547 -7.340 3.591 1.00 0.00 H new ATOM 0 HD22 LEU A 99 1.344 -6.567 4.981 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.332 -6.136 4.563 1.00 0.00 H new ATOM 1350 N LYS A 100 -0.426 -3.571 6.682 1.00 0.00 N ATOM 1351 CA LYS A 100 -1.157 -4.016 7.828 1.00 0.00 C ATOM 1352 C LYS A 100 -2.482 -3.300 7.857 1.00 0.00 C ATOM 1353 O LYS A 100 -3.505 -3.874 8.233 1.00 0.00 O ATOM 1354 CB LYS A 100 -0.371 -3.729 9.113 1.00 0.00 C ATOM 1355 CG LYS A 100 0.929 -4.511 9.238 1.00 0.00 C ATOM 1356 CD LYS A 100 1.846 -3.946 10.325 1.00 0.00 C ATOM 1357 CE LYS A 100 1.228 -3.977 11.711 1.00 0.00 C ATOM 1358 NZ LYS A 100 2.163 -3.443 12.726 1.00 0.00 N ATOM 0 H LYS A 100 0.419 -3.046 6.910 1.00 0.00 H new ATOM 0 HA LYS A 100 -1.316 -5.093 7.766 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -0.146 -2.663 9.158 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -1.003 -3.958 9.971 1.00 0.00 H new ATOM 0 HG2 LYS A 100 0.703 -5.553 9.463 1.00 0.00 H new ATOM 0 HG3 LYS A 100 1.452 -4.497 8.282 1.00 0.00 H new ATOM 0 HD2 LYS A 100 2.776 -4.515 10.337 1.00 0.00 H new ATOM 0 HD3 LYS A 100 2.104 -2.917 10.073 1.00 0.00 H new ATOM 0 HE2 LYS A 100 0.309 -3.391 11.715 1.00 0.00 H new ATOM 0 HE3 LYS A 100 0.955 -5.001 11.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 1.714 -3.476 13.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 3.029 -4.018 12.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 2.404 -2.459 12.492 1.00 0.00 H new ATOM 1372 N ASP A 101 -2.467 -2.060 7.388 1.00 0.00 N ATOM 1373 CA ASP A 101 -3.654 -1.247 7.384 1.00 0.00 C ATOM 1374 C ASP A 101 -4.616 -1.743 6.314 1.00 0.00 C ATOM 1375 O ASP A 101 -5.804 -1.760 6.522 1.00 0.00 O ATOM 1376 CB ASP A 101 -3.316 0.229 7.190 1.00 0.00 C ATOM 1377 CG ASP A 101 -4.497 1.139 7.416 1.00 0.00 C ATOM 1378 OD1 ASP A 101 -4.945 1.255 8.577 1.00 0.00 O ATOM 1379 OD2 ASP A 101 -4.967 1.774 6.479 1.00 0.00 O ATOM 0 H ASP A 101 -1.639 -1.603 7.006 1.00 0.00 H new ATOM 0 HA ASP A 101 -4.140 -1.336 8.355 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -2.515 0.506 7.875 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -2.937 0.379 6.179 1.00 0.00 H new ATOM 1384 N LEU A 102 -4.064 -2.200 5.188 1.00 0.00 N ATOM 1385 CA LEU A 102 -4.838 -2.786 4.095 1.00 0.00 C ATOM 1386 C LEU A 102 -5.637 -3.983 4.577 1.00 0.00 C ATOM 1387 O LEU A 102 -6.844 -4.084 4.323 1.00 0.00 O ATOM 1388 CB LEU A 102 -3.930 -3.204 2.924 1.00 0.00 C ATOM 1389 CG LEU A 102 -3.210 -2.083 2.165 1.00 0.00 C ATOM 1390 CD1 LEU A 102 -2.282 -2.669 1.115 1.00 0.00 C ATOM 1391 CD2 LEU A 102 -4.211 -1.149 1.504 1.00 0.00 C ATOM 0 H LEU A 102 -3.060 -2.173 5.009 1.00 0.00 H new ATOM 0 HA LEU A 102 -5.527 -2.019 3.741 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -3.176 -3.891 3.309 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -4.535 -3.762 2.209 1.00 0.00 H new ATOM 0 HG LEU A 102 -2.622 -1.511 2.883 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -1.778 -1.862 0.584 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -1.540 -3.304 1.599 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -2.861 -3.262 0.408 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -3.677 -0.362 0.971 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -4.824 -1.712 0.800 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -4.850 -0.703 2.266 1.00 0.00 H new ATOM 1403 N LYS A 103 -4.989 -4.884 5.299 1.00 0.00 N ATOM 1404 CA LYS A 103 -5.703 -6.038 5.800 1.00 0.00 C ATOM 1405 C LYS A 103 -6.666 -5.687 6.927 1.00 0.00 C ATOM 1406 O LYS A 103 -7.768 -6.225 7.001 1.00 0.00 O ATOM 1407 CB LYS A 103 -4.788 -7.233 6.122 1.00 0.00 C ATOM 1408 CG LYS A 103 -3.626 -6.964 7.053 1.00 0.00 C ATOM 1409 CD LYS A 103 -2.751 -8.202 7.144 1.00 0.00 C ATOM 1410 CE LYS A 103 -1.512 -7.977 7.987 1.00 0.00 C ATOM 1411 NZ LYS A 103 -1.822 -7.726 9.410 1.00 0.00 N ATOM 0 H LYS A 103 -4.000 -4.839 5.543 1.00 0.00 H new ATOM 0 HA LYS A 103 -6.327 -6.383 4.975 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -5.399 -8.022 6.559 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -4.391 -7.620 5.184 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -3.042 -6.119 6.688 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -3.994 -6.693 8.042 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -3.331 -9.022 7.568 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -2.453 -8.507 6.141 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -0.863 -8.849 7.910 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -0.955 -7.130 7.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -0.936 -7.613 9.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -2.390 -6.859 9.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -2.358 -8.529 9.795 1.00 0.00 H new ATOM 1425 N ALA A 104 -6.296 -4.736 7.743 1.00 0.00 N ATOM 1426 CA ALA A 104 -7.135 -4.334 8.841 1.00 0.00 C ATOM 1427 C ALA A 104 -8.356 -3.585 8.337 1.00 0.00 C ATOM 1428 O ALA A 104 -9.473 -3.775 8.850 1.00 0.00 O ATOM 1429 CB ALA A 104 -6.353 -3.491 9.822 1.00 0.00 C ATOM 0 H ALA A 104 -5.417 -4.224 7.668 1.00 0.00 H new ATOM 0 HA ALA A 104 -7.479 -5.230 9.358 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -7.002 -3.195 10.646 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -5.514 -4.069 10.210 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -5.978 -2.600 9.318 1.00 0.00 H new ATOM 1435 N LEU A 105 -8.159 -2.760 7.316 1.00 0.00 N ATOM 1436 CA LEU A 105 -9.226 -1.969 6.780 1.00 0.00 C ATOM 1437 C LEU A 105 -10.179 -2.850 6.061 1.00 0.00 C ATOM 1438 O LEU A 105 -11.348 -2.652 6.153 1.00 0.00 O ATOM 1439 CB LEU A 105 -8.743 -0.809 5.864 1.00 0.00 C ATOM 1440 CG LEU A 105 -8.566 -1.110 4.368 1.00 0.00 C ATOM 1441 CD1 LEU A 105 -9.845 -0.822 3.587 1.00 0.00 C ATOM 1442 CD2 LEU A 105 -7.413 -0.352 3.794 1.00 0.00 C ATOM 0 H LEU A 105 -7.261 -2.631 6.850 1.00 0.00 H new ATOM 0 HA LEU A 105 -9.723 -1.487 7.622 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -9.453 0.012 5.960 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -7.788 -0.452 6.250 1.00 0.00 H new ATOM 0 HG LEU A 105 -8.349 -2.174 4.275 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -9.685 -1.046 2.532 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -10.654 -1.444 3.971 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -10.111 0.229 3.699 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -7.315 -0.587 2.734 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -7.585 0.718 3.914 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -6.497 -0.633 4.314 1.00 0.00 H new ATOM 1454 N GLN A 106 -9.667 -3.862 5.351 1.00 0.00 N ATOM 1455 CA GLN A 106 -10.549 -4.739 4.609 1.00 0.00 C ATOM 1456 C GLN A 106 -11.427 -5.504 5.550 1.00 0.00 C ATOM 1457 O GLN A 106 -12.537 -5.789 5.231 1.00 0.00 O ATOM 1458 CB GLN A 106 -9.824 -5.666 3.623 1.00 0.00 C ATOM 1459 CG GLN A 106 -8.982 -6.738 4.258 1.00 0.00 C ATOM 1460 CD GLN A 106 -8.265 -7.591 3.248 1.00 0.00 C ATOM 1461 OE1 GLN A 106 -7.071 -7.211 2.889 1.00 0.00 O flip ATOM 1462 NE2 GLN A 106 -8.784 -8.605 2.802 1.00 0.00 N flip ATOM 0 H GLN A 106 -8.673 -4.082 5.281 1.00 0.00 H new ATOM 0 HA GLN A 106 -11.171 -4.099 3.983 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -10.566 -6.141 2.982 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -9.187 -5.059 2.979 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -8.251 -6.275 4.920 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -9.616 -7.372 4.878 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -9.720 -8.874 3.104 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -8.280 -9.182 2.128 1.00 0.00 H new ATOM 1471 N LYS A 107 -10.922 -5.803 6.731 1.00 0.00 N ATOM 1472 CA LYS A 107 -11.740 -6.432 7.750 1.00 0.00 C ATOM 1473 C LYS A 107 -12.816 -5.453 8.252 1.00 0.00 C ATOM 1474 O LYS A 107 -13.951 -5.850 8.494 1.00 0.00 O ATOM 1475 CB LYS A 107 -10.858 -6.959 8.868 1.00 0.00 C ATOM 1476 CG LYS A 107 -9.890 -8.006 8.359 1.00 0.00 C ATOM 1477 CD LYS A 107 -8.834 -8.357 9.369 1.00 0.00 C ATOM 1478 CE LYS A 107 -7.823 -9.321 8.773 1.00 0.00 C ATOM 1479 NZ LYS A 107 -8.398 -10.665 8.517 1.00 0.00 N ATOM 0 H LYS A 107 -9.957 -5.622 7.008 1.00 0.00 H new ATOM 0 HA LYS A 107 -12.267 -7.286 7.325 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -10.303 -6.134 9.315 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -11.480 -7.388 9.654 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -10.443 -8.906 8.089 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -9.411 -7.642 7.450 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -8.328 -7.451 9.703 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -9.298 -8.805 10.247 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -7.441 -8.909 7.839 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -6.974 -9.416 9.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -7.645 -11.312 8.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -8.830 -11.030 9.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -9.123 -10.597 7.774 1.00 0.00 H new ATOM 1493 N ARG A 108 -12.470 -4.169 8.323 1.00 0.00 N ATOM 1494 CA ARG A 108 -13.418 -3.125 8.701 1.00 0.00 C ATOM 1495 C ARG A 108 -14.476 -2.974 7.614 1.00 0.00 C ATOM 1496 O ARG A 108 -15.670 -2.937 7.885 1.00 0.00 O ATOM 1497 CB ARG A 108 -12.706 -1.774 8.963 1.00 0.00 C ATOM 1498 CG ARG A 108 -11.969 -1.685 10.299 1.00 0.00 C ATOM 1499 CD ARG A 108 -11.263 -0.329 10.483 1.00 0.00 C ATOM 1500 NE ARG A 108 -9.916 -0.276 9.853 1.00 0.00 N ATOM 1501 CZ ARG A 108 -9.458 0.699 9.025 1.00 0.00 C ATOM 1502 NH1 ARG A 108 -10.281 1.615 8.532 1.00 0.00 N ATOM 1503 NH2 ARG A 108 -8.167 0.729 8.686 1.00 0.00 N ATOM 0 H ARG A 108 -11.531 -3.825 8.121 1.00 0.00 H new ATOM 0 HA ARG A 108 -13.899 -3.422 9.633 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -11.993 -1.593 8.158 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -13.446 -0.975 8.919 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -12.677 -1.838 11.114 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -11.234 -2.487 10.361 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -11.886 0.458 10.058 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -11.167 -0.119 11.548 1.00 0.00 H new ATOM 0 HE ARG A 108 -9.277 -1.043 10.062 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -11.272 1.593 8.773 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -9.923 2.341 7.912 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -7.528 0.021 9.048 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -7.820 1.460 8.065 1.00 0.00 H new ATOM 1517 N VAL A 109 -14.020 -2.947 6.388 1.00 0.00 N ATOM 1518 CA VAL A 109 -14.846 -2.832 5.237 1.00 0.00 C ATOM 1519 C VAL A 109 -15.727 -4.101 5.042 1.00 0.00 C ATOM 1520 O VAL A 109 -16.900 -4.008 4.627 1.00 0.00 O ATOM 1521 CB VAL A 109 -13.993 -2.439 4.005 1.00 0.00 C ATOM 1522 CG1 VAL A 109 -14.820 -2.320 2.771 1.00 0.00 C ATOM 1523 CG2 VAL A 109 -13.300 -1.121 4.268 1.00 0.00 C ATOM 0 H VAL A 109 -13.026 -3.007 6.167 1.00 0.00 H new ATOM 0 HA VAL A 109 -15.561 -2.021 5.377 1.00 0.00 H new ATOM 0 HB VAL A 109 -13.260 -3.229 3.845 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -14.183 -2.043 1.931 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -15.301 -3.276 2.562 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -15.582 -1.554 2.916 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -12.700 -0.846 3.400 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -14.046 -0.348 4.453 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -12.653 -1.218 5.140 1.00 0.00 H new ATOM 1533 N GLN A 110 -15.156 -5.279 5.329 1.00 0.00 N ATOM 1534 CA GLN A 110 -15.907 -6.539 5.343 1.00 0.00 C ATOM 1535 C GLN A 110 -17.002 -6.443 6.370 1.00 0.00 C ATOM 1536 O GLN A 110 -18.112 -6.880 6.145 1.00 0.00 O ATOM 1537 CB GLN A 110 -15.024 -7.745 5.729 1.00 0.00 C ATOM 1538 CG GLN A 110 -14.149 -8.342 4.632 1.00 0.00 C ATOM 1539 CD GLN A 110 -14.950 -8.973 3.508 1.00 0.00 C ATOM 1540 OE1 GLN A 110 -16.085 -9.426 3.705 1.00 0.00 O ATOM 1541 NE2 GLN A 110 -14.360 -9.063 2.351 1.00 0.00 N ATOM 0 H GLN A 110 -14.167 -5.384 5.556 1.00 0.00 H new ATOM 0 HA GLN A 110 -16.295 -6.693 4.336 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -14.376 -7.441 6.551 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -15.674 -8.533 6.110 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -13.510 -7.561 4.220 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -13.492 -9.094 5.069 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -13.424 -8.678 2.225 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -14.834 -9.518 1.571 1.00 0.00 H new ATOM 1550 N ASP A 111 -16.670 -5.830 7.496 1.00 0.00 N ATOM 1551 CA ASP A 111 -17.596 -5.709 8.601 1.00 0.00 C ATOM 1552 C ASP A 111 -18.707 -4.717 8.310 1.00 0.00 C ATOM 1553 O ASP A 111 -19.832 -4.877 8.787 1.00 0.00 O ATOM 1554 CB ASP A 111 -16.889 -5.337 9.908 1.00 0.00 C ATOM 1555 CG ASP A 111 -17.858 -5.198 11.065 1.00 0.00 C ATOM 1556 OD1 ASP A 111 -18.359 -6.237 11.561 1.00 0.00 O ATOM 1557 OD2 ASP A 111 -18.136 -4.057 11.499 1.00 0.00 O ATOM 0 H ASP A 111 -15.757 -5.407 7.665 1.00 0.00 H new ATOM 0 HA ASP A 111 -18.044 -6.695 8.725 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -16.147 -6.099 10.147 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -16.350 -4.399 9.773 1.00 0.00 H new ATOM 1562 N SER A 112 -18.391 -3.714 7.502 1.00 0.00 N ATOM 1563 CA SER A 112 -19.333 -2.662 7.144 1.00 0.00 C ATOM 1564 C SER A 112 -20.618 -3.252 6.537 1.00 0.00 C ATOM 1565 O SER A 112 -21.728 -2.819 6.866 1.00 0.00 O ATOM 1566 CB SER A 112 -18.673 -1.701 6.158 1.00 0.00 C ATOM 1567 OG SER A 112 -17.426 -1.235 6.661 1.00 0.00 O ATOM 0 H SER A 112 -17.471 -3.607 7.075 1.00 0.00 H new ATOM 0 HA SER A 112 -19.610 -2.120 8.048 1.00 0.00 H new ATOM 0 HB2 SER A 112 -18.520 -2.202 5.202 1.00 0.00 H new ATOM 0 HB3 SER A 112 -19.334 -0.854 5.971 1.00 0.00 H new ATOM 0 HG SER A 112 -16.986 -1.954 7.161 1.00 0.00 H new