USER MOD reduce.3.24.130724 H: found=0, std=0, add=645, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 645 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 56 GLN : amide:sc= 0.0229 K(o=-0.59,f=-1.9!) USER MOD Set 1.2: A 61 CYS SG : rot 180:sc= -0.613 USER MOD Set 2.1: A 41 LYS NZ :NH3+ -128:sc= 0.19 (180deg=0) USER MOD Set 2.2: A 52 TYR OH : rot 30:sc= 0.09 USER MOD Set 3.1: A 29 CYS SG : rot 180:sc= -0.651 USER MOD Set 3.2: A 78 CYS SG : rot 91:sc= 1.13 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 MET CE :methyl -179:sc= -0.518 (180deg=-0.52) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= -1.04 USER MOD Single : A 28 GLN : amide:sc= -0.141 K(o=-0.14,f=-0.68) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -115:sc= -0.0936 (180deg=-0.864) USER MOD Single : A 51 LYS NZ :NH3+ -159:sc= 0.812 (180deg=0.453) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0.00189 K(o=0.0019,f=-0.54) USER MOD Single : A 66 HIS : no HE2:sc= -0.28 K(o=-0.28,f=-1.4) USER MOD Single : A 70 MET CE :methyl 136:sc= -3.82 (180deg=-6.1!) USER MOD Single : A 73 ASN : amide:sc= -4.29! C(o=-4.3!,f=-9!) USER MOD Single : A 76 TYR OH : rot -15:sc= 1.26 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 CYS SG : rot 27:sc= 0.0525 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 THR OG1 : rot 160:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N ALA A 8 8.022 15.621 -4.031 1.00 0.00 N ATOM 67 CA ALA A 8 7.298 15.642 -2.766 1.00 0.00 C ATOM 68 C ALA A 8 7.989 14.767 -1.724 1.00 0.00 C ATOM 69 O ALA A 8 8.939 14.049 -2.035 1.00 0.00 O ATOM 70 CB ALA A 8 5.862 15.186 -2.972 1.00 0.00 C ATOM 0 HA ALA A 8 7.292 16.667 -2.396 1.00 0.00 H new ATOM 0 HB1 ALA A 8 5.333 15.207 -2.019 1.00 0.00 H new ATOM 0 HB2 ALA A 8 5.366 15.853 -3.677 1.00 0.00 H new ATOM 0 HB3 ALA A 8 5.856 14.171 -3.368 1.00 0.00 H new ATOM 76 N ARG A 9 7.506 14.834 -0.488 1.00 0.00 N ATOM 77 CA ARG A 9 8.078 14.049 0.599 1.00 0.00 C ATOM 78 C ARG A 9 6.983 13.353 1.402 1.00 0.00 C ATOM 79 O ARG A 9 5.930 13.932 1.668 1.00 0.00 O ATOM 80 CB ARG A 9 8.909 14.944 1.520 1.00 0.00 C ATOM 81 CG ARG A 9 8.099 16.030 2.208 1.00 0.00 C ATOM 82 CD ARG A 9 8.809 16.556 3.445 1.00 0.00 C ATOM 83 NE ARG A 9 8.501 15.763 4.632 1.00 0.00 N ATOM 84 CZ ARG A 9 9.294 15.694 5.696 1.00 0.00 C ATOM 85 NH1 ARG A 9 10.436 16.368 5.720 1.00 0.00 N ATOM 86 NH2 ARG A 9 8.945 14.951 6.738 1.00 0.00 N ATOM 0 H ARG A 9 6.720 15.424 -0.214 1.00 0.00 H new ATOM 0 HA ARG A 9 8.724 13.288 0.163 1.00 0.00 H new ATOM 0 HB2 ARG A 9 9.388 14.325 2.278 1.00 0.00 H new ATOM 0 HB3 ARG A 9 9.705 15.410 0.939 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.923 16.850 1.512 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.123 15.635 2.488 1.00 0.00 H new ATOM 0 HD2 ARG A 9 9.886 16.550 3.275 1.00 0.00 H new ATOM 0 HD3 ARG A 9 8.519 17.593 3.616 1.00 0.00 H new ATOM 0 HE ARG A 9 7.630 15.233 4.645 1.00 0.00 H new ATOM 0 HH11 ARG A 9 10.707 16.941 4.921 1.00 0.00 H new ATOM 0 HH12 ARG A 9 11.043 16.314 6.538 1.00 0.00 H new ATOM 0 HH21 ARG A 9 8.067 14.432 6.723 1.00 0.00 H new ATOM 0 HH22 ARG A 9 9.555 14.899 7.554 1.00 0.00 H new ATOM 100 N PHE A 10 7.239 12.106 1.785 1.00 0.00 N ATOM 101 CA PHE A 10 6.275 11.330 2.556 1.00 0.00 C ATOM 102 C PHE A 10 6.161 11.865 3.981 1.00 0.00 C ATOM 103 O PHE A 10 7.047 11.652 4.809 1.00 0.00 O ATOM 104 CB PHE A 10 6.681 9.855 2.584 1.00 0.00 C ATOM 105 CG PHE A 10 6.407 9.133 1.295 1.00 0.00 C ATOM 106 CD1 PHE A 10 7.361 9.093 0.292 1.00 0.00 C ATOM 107 CD2 PHE A 10 5.194 8.496 1.088 1.00 0.00 C ATOM 108 CE1 PHE A 10 7.112 8.429 -0.895 1.00 0.00 C ATOM 109 CE2 PHE A 10 4.940 7.830 -0.096 1.00 0.00 C ATOM 110 CZ PHE A 10 5.899 7.798 -1.089 1.00 0.00 C ATOM 0 H PHE A 10 8.106 11.612 1.574 1.00 0.00 H new ATOM 0 HA PHE A 10 5.302 11.423 2.073 1.00 0.00 H new ATOM 0 HB2 PHE A 10 7.744 9.783 2.812 1.00 0.00 H new ATOM 0 HB3 PHE A 10 6.147 9.355 3.392 1.00 0.00 H new ATOM 0 HD1 PHE A 10 8.311 9.586 0.439 1.00 0.00 H new ATOM 0 HD2 PHE A 10 4.439 8.520 1.860 1.00 0.00 H new ATOM 0 HE1 PHE A 10 7.865 8.404 -1.669 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.992 7.335 -0.245 1.00 0.00 H new ATOM 0 HZ PHE A 10 5.701 7.280 -2.016 1.00 0.00 H new ATOM 120 N THR A 11 5.064 12.562 4.259 1.00 0.00 N ATOM 121 CA THR A 11 4.834 13.129 5.582 1.00 0.00 C ATOM 122 C THR A 11 4.020 12.180 6.453 1.00 0.00 C ATOM 123 O THR A 11 4.076 12.248 7.681 1.00 0.00 O ATOM 124 CB THR A 11 4.102 14.481 5.493 1.00 0.00 C ATOM 125 OG1 THR A 11 3.906 15.019 6.806 1.00 0.00 O ATOM 126 CG2 THR A 11 2.757 14.324 4.798 1.00 0.00 C ATOM 0 H THR A 11 4.321 12.747 3.586 1.00 0.00 H new ATOM 0 HA THR A 11 5.813 13.283 6.035 1.00 0.00 H new ATOM 0 HB THR A 11 4.718 15.165 4.908 1.00 0.00 H new ATOM 0 HG1 THR A 11 3.441 15.879 6.741 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.259 15.292 4.747 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.911 13.942 3.789 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.137 13.626 5.360 1.00 0.00 H new ATOM 134 N GLU A 12 3.265 11.294 5.811 1.00 0.00 N ATOM 135 CA GLU A 12 2.439 10.331 6.529 1.00 0.00 C ATOM 136 C GLU A 12 3.173 9.003 6.695 1.00 0.00 C ATOM 137 O GLU A 12 3.175 8.413 7.775 1.00 0.00 O ATOM 138 CB GLU A 12 1.118 10.107 5.792 1.00 0.00 C ATOM 139 CG GLU A 12 0.136 9.233 6.554 1.00 0.00 C ATOM 140 CD GLU A 12 0.475 7.758 6.463 1.00 0.00 C ATOM 141 OE1 GLU A 12 0.826 7.298 5.356 1.00 0.00 O ATOM 142 OE2 GLU A 12 0.390 7.065 7.497 1.00 0.00 O ATOM 0 H GLU A 12 3.208 11.223 4.795 1.00 0.00 H new ATOM 0 HA GLU A 12 2.229 10.738 7.518 1.00 0.00 H new ATOM 0 HB2 GLU A 12 0.654 11.073 5.594 1.00 0.00 H new ATOM 0 HB3 GLU A 12 1.325 9.649 4.825 1.00 0.00 H new ATOM 0 HG2 GLU A 12 0.123 9.535 7.601 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -0.868 9.396 6.163 1.00 0.00 H new ATOM 149 N GLY A 13 3.794 8.538 5.615 1.00 0.00 N ATOM 150 CA GLY A 13 4.522 7.283 5.661 1.00 0.00 C ATOM 151 C GLY A 13 3.601 6.081 5.736 1.00 0.00 C ATOM 152 O GLY A 13 2.783 5.973 6.651 1.00 0.00 O ATOM 0 H GLY A 13 3.806 9.008 4.710 1.00 0.00 H new ATOM 0 HA2 GLY A 13 5.152 7.199 4.776 1.00 0.00 H new ATOM 0 HA3 GLY A 13 5.186 7.283 6.526 1.00 0.00 H new ATOM 156 N LEU A 14 3.732 5.176 4.772 1.00 0.00 N ATOM 157 CA LEU A 14 2.903 3.976 4.732 1.00 0.00 C ATOM 158 C LEU A 14 2.672 3.427 6.136 1.00 0.00 C ATOM 159 O LEU A 14 3.480 3.643 7.039 1.00 0.00 O ATOM 160 CB LEU A 14 3.560 2.909 3.855 1.00 0.00 C ATOM 161 CG LEU A 14 3.187 2.934 2.373 1.00 0.00 C ATOM 162 CD1 LEU A 14 4.087 1.999 1.580 1.00 0.00 C ATOM 163 CD2 LEU A 14 1.725 2.558 2.184 1.00 0.00 C ATOM 0 H LEU A 14 4.404 5.250 4.008 1.00 0.00 H new ATOM 0 HA LEU A 14 1.937 4.244 4.304 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.642 3.015 3.938 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.303 1.929 4.257 1.00 0.00 H new ATOM 0 HG LEU A 14 3.331 3.948 1.999 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.807 2.030 0.527 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.125 2.314 1.689 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.976 0.982 1.955 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.478 2.581 1.123 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.554 1.555 2.575 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.095 3.268 2.719 1.00 0.00 H new ATOM 175 N ARG A 15 1.564 2.713 6.311 1.00 0.00 N ATOM 176 CA ARG A 15 1.227 2.131 7.604 1.00 0.00 C ATOM 177 C ARG A 15 1.222 0.607 7.530 1.00 0.00 C ATOM 178 O ARG A 15 1.348 0.028 6.452 1.00 0.00 O ATOM 179 CB ARG A 15 -0.139 2.634 8.073 1.00 0.00 C ATOM 180 CG ARG A 15 -1.291 2.180 7.191 1.00 0.00 C ATOM 181 CD ARG A 15 -2.626 2.688 7.713 1.00 0.00 C ATOM 182 NE ARG A 15 -2.882 2.249 9.082 1.00 0.00 N ATOM 183 CZ ARG A 15 -4.082 2.275 9.650 1.00 0.00 C ATOM 184 NH1 ARG A 15 -5.132 2.715 8.970 1.00 0.00 N ATOM 185 NH2 ARG A 15 -4.235 1.859 10.901 1.00 0.00 N ATOM 0 H ARG A 15 0.885 2.524 5.573 1.00 0.00 H new ATOM 0 HA ARG A 15 1.987 2.440 8.322 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -0.314 2.288 9.092 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -0.124 3.723 8.105 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -1.136 2.540 6.174 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -1.308 1.091 7.144 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -2.640 3.777 7.673 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -3.427 2.335 7.064 1.00 0.00 H new ATOM 0 HE ARG A 15 -2.096 1.903 9.632 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -5.019 3.035 8.008 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -6.053 2.734 9.409 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -3.430 1.519 11.427 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -5.157 1.880 11.336 1.00 0.00 H new ATOM 199 N ASN A 16 1.076 -0.036 8.684 1.00 0.00 N ATOM 200 CA ASN A 16 1.056 -1.493 8.750 1.00 0.00 C ATOM 201 C ASN A 16 -0.351 -2.029 8.504 1.00 0.00 C ATOM 202 O ASN A 16 -1.320 -1.548 9.090 1.00 0.00 O ATOM 203 CB ASN A 16 1.564 -1.969 10.113 1.00 0.00 C ATOM 204 CG ASN A 16 3.046 -1.708 10.301 1.00 0.00 C ATOM 205 OD1 ASN A 16 3.885 -2.329 9.649 1.00 0.00 O ATOM 206 ND2 ASN A 16 3.374 -0.784 11.197 1.00 0.00 N ATOM 0 H ASN A 16 0.970 0.429 9.586 1.00 0.00 H new ATOM 0 HA ASN A 16 1.714 -1.877 7.970 1.00 0.00 H new ATOM 0 HB2 ASN A 16 1.006 -1.465 10.902 1.00 0.00 H new ATOM 0 HB3 ASN A 16 1.370 -3.036 10.218 1.00 0.00 H new ATOM 0 HD21 ASN A 16 4.355 -0.564 11.367 1.00 0.00 H new ATOM 0 HD22 ASN A 16 2.644 -0.294 11.715 1.00 0.00 H new ATOM 213 N GLU A 17 -0.453 -3.027 7.632 1.00 0.00 N ATOM 214 CA GLU A 17 -1.742 -3.628 7.308 1.00 0.00 C ATOM 215 C GLU A 17 -1.754 -5.112 7.662 1.00 0.00 C ATOM 216 O GLU A 17 -0.709 -5.708 7.919 1.00 0.00 O ATOM 217 CB GLU A 17 -2.055 -3.445 5.821 1.00 0.00 C ATOM 218 CG GLU A 17 -3.542 -3.444 5.509 1.00 0.00 C ATOM 219 CD GLU A 17 -4.079 -4.833 5.219 1.00 0.00 C ATOM 220 OE1 GLU A 17 -3.432 -5.568 4.444 1.00 0.00 O ATOM 221 OE2 GLU A 17 -5.144 -5.184 5.767 1.00 0.00 O ATOM 0 H GLU A 17 0.340 -3.436 7.138 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.508 -3.125 7.898 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.620 -2.506 5.479 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.574 -4.243 5.256 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.086 -3.017 6.352 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.729 -2.800 4.650 1.00 0.00 H new ATOM 228 N GLU A 18 -2.946 -5.702 7.675 1.00 0.00 N ATOM 229 CA GLU A 18 -3.095 -7.116 7.999 1.00 0.00 C ATOM 230 C GLU A 18 -4.383 -7.678 7.405 1.00 0.00 C ATOM 231 O GLU A 18 -5.454 -7.090 7.551 1.00 0.00 O ATOM 232 CB GLU A 18 -3.090 -7.317 9.516 1.00 0.00 C ATOM 233 CG GLU A 18 -3.291 -8.762 9.939 1.00 0.00 C ATOM 234 CD GLU A 18 -3.665 -8.895 11.402 1.00 0.00 C ATOM 235 OE1 GLU A 18 -3.139 -8.113 12.222 1.00 0.00 O ATOM 236 OE2 GLU A 18 -4.481 -9.782 11.728 1.00 0.00 O ATOM 0 H GLU A 18 -3.822 -5.223 7.465 1.00 0.00 H new ATOM 0 HA GLU A 18 -2.251 -7.653 7.565 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.143 -6.958 9.918 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.877 -6.705 9.958 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.073 -9.211 9.326 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.376 -9.323 9.749 1.00 0.00 H new ATOM 243 N ALA A 19 -4.269 -8.819 6.733 1.00 0.00 N ATOM 244 CA ALA A 19 -5.424 -9.461 6.118 1.00 0.00 C ATOM 245 C ALA A 19 -5.248 -10.975 6.069 1.00 0.00 C ATOM 246 O ALA A 19 -4.224 -11.505 6.499 1.00 0.00 O ATOM 247 CB ALA A 19 -5.651 -8.910 4.718 1.00 0.00 C ATOM 0 H ALA A 19 -3.389 -9.317 6.601 1.00 0.00 H new ATOM 0 HA ALA A 19 -6.299 -9.242 6.730 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.517 -9.398 4.271 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.829 -7.836 4.774 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.770 -9.100 4.105 1.00 0.00 H new ATOM 253 N MET A 20 -6.255 -11.666 5.544 1.00 0.00 N ATOM 254 CA MET A 20 -6.211 -13.120 5.440 1.00 0.00 C ATOM 255 C MET A 20 -5.710 -13.552 4.065 1.00 0.00 C ATOM 256 O MET A 20 -5.786 -12.791 3.101 1.00 0.00 O ATOM 257 CB MET A 20 -7.596 -13.714 5.700 1.00 0.00 C ATOM 258 CG MET A 20 -7.879 -13.975 7.171 1.00 0.00 C ATOM 259 SD MET A 20 -9.117 -15.261 7.423 1.00 0.00 S ATOM 260 CE MET A 20 -8.109 -16.572 8.111 1.00 0.00 C ATOM 0 H MET A 20 -7.111 -11.243 5.184 1.00 0.00 H new ATOM 0 HA MET A 20 -5.517 -13.492 6.194 1.00 0.00 H new ATOM 0 HB2 MET A 20 -8.353 -13.035 5.308 1.00 0.00 H new ATOM 0 HB3 MET A 20 -7.690 -14.650 5.149 1.00 0.00 H new ATOM 0 HG2 MET A 20 -6.954 -14.264 7.669 1.00 0.00 H new ATOM 0 HG3 MET A 20 -8.219 -13.052 7.641 1.00 0.00 H new ATOM 0 HE1 MET A 20 -8.731 -17.446 8.304 1.00 0.00 H new ATOM 0 HE2 MET A 20 -7.323 -16.836 7.404 1.00 0.00 H new ATOM 0 HE3 MET A 20 -7.659 -16.233 9.044 1.00 0.00 H new ATOM 270 N GLU A 21 -5.199 -14.776 3.984 1.00 0.00 N ATOM 271 CA GLU A 21 -4.685 -15.307 2.727 1.00 0.00 C ATOM 272 C GLU A 21 -5.770 -15.310 1.653 1.00 0.00 C ATOM 273 O GLU A 21 -6.880 -15.791 1.879 1.00 0.00 O ATOM 274 CB GLU A 21 -4.147 -16.725 2.928 1.00 0.00 C ATOM 275 CG GLU A 21 -4.172 -17.570 1.665 1.00 0.00 C ATOM 276 CD GLU A 21 -3.782 -19.013 1.921 1.00 0.00 C ATOM 277 OE1 GLU A 21 -4.441 -19.666 2.757 1.00 0.00 O ATOM 278 OE2 GLU A 21 -2.818 -19.489 1.286 1.00 0.00 O ATOM 0 H GLU A 21 -5.130 -15.418 4.773 1.00 0.00 H new ATOM 0 HA GLU A 21 -3.872 -14.662 2.396 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.123 -16.667 3.296 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -4.735 -17.222 3.699 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -5.172 -17.539 1.231 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.492 -17.139 0.930 1.00 0.00 H new ATOM 285 N GLY A 22 -5.440 -14.768 0.485 1.00 0.00 N ATOM 286 CA GLY A 22 -6.396 -14.718 -0.606 1.00 0.00 C ATOM 287 C GLY A 22 -7.223 -13.447 -0.593 1.00 0.00 C ATOM 288 O GLY A 22 -7.747 -13.030 -1.625 1.00 0.00 O ATOM 0 H GLY A 22 -4.528 -14.363 0.275 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -5.865 -14.793 -1.555 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.060 -15.581 -0.544 1.00 0.00 H new ATOM 292 N ALA A 23 -7.343 -12.833 0.579 1.00 0.00 N ATOM 293 CA ALA A 23 -8.112 -11.603 0.721 1.00 0.00 C ATOM 294 C ALA A 23 -7.537 -10.492 -0.151 1.00 0.00 C ATOM 295 O ALA A 23 -6.559 -10.696 -0.870 1.00 0.00 O ATOM 296 CB ALA A 23 -8.147 -11.168 2.179 1.00 0.00 C ATOM 0 H ALA A 23 -6.918 -13.167 1.444 1.00 0.00 H new ATOM 0 HA ALA A 23 -9.131 -11.800 0.387 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.725 -10.248 2.270 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.611 -11.949 2.781 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.130 -10.995 2.531 1.00 0.00 H new ATOM 302 N THR A 24 -8.151 -9.314 -0.083 1.00 0.00 N ATOM 303 CA THR A 24 -7.702 -8.171 -0.867 1.00 0.00 C ATOM 304 C THR A 24 -7.108 -7.090 0.028 1.00 0.00 C ATOM 305 O THR A 24 -7.835 -6.354 0.694 1.00 0.00 O ATOM 306 CB THR A 24 -8.855 -7.566 -1.689 1.00 0.00 C ATOM 307 OG1 THR A 24 -9.401 -8.554 -2.569 1.00 0.00 O ATOM 308 CG2 THR A 24 -8.374 -6.370 -2.497 1.00 0.00 C ATOM 0 H THR A 24 -8.961 -9.127 0.508 1.00 0.00 H new ATOM 0 HA THR A 24 -6.934 -8.537 -1.548 1.00 0.00 H new ATOM 0 HB THR A 24 -9.627 -7.230 -0.997 1.00 0.00 H new ATOM 0 HG1 THR A 24 -10.135 -8.161 -3.087 1.00 0.00 H new ATOM 0 HG21 THR A 24 -9.206 -5.959 -3.069 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.986 -5.607 -1.822 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.585 -6.686 -3.179 1.00 0.00 H new ATOM 316 N ALA A 25 -5.782 -6.998 0.037 1.00 0.00 N ATOM 317 CA ALA A 25 -5.091 -6.004 0.848 1.00 0.00 C ATOM 318 C ALA A 25 -5.294 -4.600 0.287 1.00 0.00 C ATOM 319 O ALA A 25 -5.637 -4.431 -0.883 1.00 0.00 O ATOM 320 CB ALA A 25 -3.607 -6.330 0.932 1.00 0.00 C ATOM 0 H ALA A 25 -5.165 -7.600 -0.508 1.00 0.00 H new ATOM 0 HA ALA A 25 -5.516 -6.032 1.851 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.103 -5.579 1.541 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.475 -7.313 1.385 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.178 -6.332 -0.070 1.00 0.00 H new ATOM 326 N THR A 26 -5.082 -3.594 1.131 1.00 0.00 N ATOM 327 CA THR A 26 -5.244 -2.206 0.720 1.00 0.00 C ATOM 328 C THR A 26 -4.425 -1.272 1.604 1.00 0.00 C ATOM 329 O THR A 26 -4.689 -1.142 2.800 1.00 0.00 O ATOM 330 CB THR A 26 -6.722 -1.774 0.768 1.00 0.00 C ATOM 331 OG1 THR A 26 -7.502 -2.601 -0.103 1.00 0.00 O ATOM 332 CG2 THR A 26 -6.873 -0.316 0.362 1.00 0.00 C ATOM 0 H THR A 26 -4.798 -3.716 2.103 1.00 0.00 H new ATOM 0 HA THR A 26 -4.886 -2.137 -0.307 1.00 0.00 H new ATOM 0 HB THR A 26 -7.078 -1.888 1.792 1.00 0.00 H new ATOM 0 HG1 THR A 26 -8.441 -2.321 -0.066 1.00 0.00 H new ATOM 0 HG21 THR A 26 -7.925 -0.034 0.403 1.00 0.00 H new ATOM 0 HG22 THR A 26 -6.301 0.313 1.045 1.00 0.00 H new ATOM 0 HG23 THR A 26 -6.501 -0.181 -0.654 1.00 0.00 H new ATOM 340 N LEU A 27 -3.430 -0.623 1.009 1.00 0.00 N ATOM 341 CA LEU A 27 -2.572 0.301 1.743 1.00 0.00 C ATOM 342 C LEU A 27 -2.987 1.747 1.490 1.00 0.00 C ATOM 343 O LEU A 27 -3.623 2.052 0.482 1.00 0.00 O ATOM 344 CB LEU A 27 -1.110 0.100 1.339 1.00 0.00 C ATOM 345 CG LEU A 27 -0.438 -1.170 1.861 1.00 0.00 C ATOM 346 CD1 LEU A 27 0.685 -1.602 0.930 1.00 0.00 C ATOM 347 CD2 LEU A 27 0.091 -0.952 3.272 1.00 0.00 C ATOM 0 H LEU A 27 -3.197 -0.719 0.021 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.681 0.092 2.807 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.052 0.097 0.251 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.537 0.959 1.686 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.183 -1.965 1.892 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.151 -2.508 1.318 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.279 -1.799 -0.062 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.430 -0.809 0.866 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.566 -1.866 3.628 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.821 -0.142 3.266 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.735 -0.691 3.934 1.00 0.00 H new ATOM 359 N GLN A 28 -2.620 2.631 2.412 1.00 0.00 N ATOM 360 CA GLN A 28 -2.954 4.046 2.288 1.00 0.00 C ATOM 361 C GLN A 28 -1.790 4.921 2.743 1.00 0.00 C ATOM 362 O GLN A 28 -1.151 4.642 3.758 1.00 0.00 O ATOM 363 CB GLN A 28 -4.203 4.370 3.109 1.00 0.00 C ATOM 364 CG GLN A 28 -4.985 5.563 2.580 1.00 0.00 C ATOM 365 CD GLN A 28 -6.383 5.646 3.160 1.00 0.00 C ATOM 366 OE1 GLN A 28 -6.706 4.965 4.133 1.00 0.00 O ATOM 367 NE2 GLN A 28 -7.222 6.485 2.562 1.00 0.00 N ATOM 0 H GLN A 28 -2.092 2.394 3.252 1.00 0.00 H new ATOM 0 HA GLN A 28 -3.154 4.257 1.237 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -4.855 3.496 3.124 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -3.909 4.567 4.140 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.444 6.480 2.813 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -5.049 5.498 1.494 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -6.911 7.030 1.758 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -8.177 6.584 2.907 1.00 0.00 H new ATOM 376 N CYS A 29 -1.521 5.978 1.985 1.00 0.00 N ATOM 377 CA CYS A 29 -0.434 6.894 2.310 1.00 0.00 C ATOM 378 C CYS A 29 -0.733 8.298 1.794 1.00 0.00 C ATOM 379 O CYS A 29 -1.475 8.469 0.828 1.00 0.00 O ATOM 380 CB CYS A 29 0.881 6.389 1.715 1.00 0.00 C ATOM 381 SG CYS A 29 0.977 6.523 -0.086 1.00 0.00 S ATOM 0 H CYS A 29 -2.040 6.222 1.142 1.00 0.00 H new ATOM 0 HA CYS A 29 -0.341 6.937 3.395 1.00 0.00 H new ATOM 0 HB2 CYS A 29 1.705 6.950 2.155 1.00 0.00 H new ATOM 0 HB3 CYS A 29 1.019 5.346 1.999 1.00 0.00 H new ATOM 0 HG CYS A 29 2.126 6.073 -0.494 1.00 0.00 H new ATOM 387 N GLU A 30 -0.151 9.300 2.447 1.00 0.00 N ATOM 388 CA GLU A 30 -0.358 10.689 2.055 1.00 0.00 C ATOM 389 C GLU A 30 0.976 11.397 1.835 1.00 0.00 C ATOM 390 O GLU A 30 1.960 11.117 2.520 1.00 0.00 O ATOM 391 CB GLU A 30 -1.171 11.427 3.121 1.00 0.00 C ATOM 392 CG GLU A 30 -1.716 12.765 2.652 1.00 0.00 C ATOM 393 CD GLU A 30 -2.451 13.512 3.748 1.00 0.00 C ATOM 394 OE1 GLU A 30 -3.599 13.131 4.059 1.00 0.00 O ATOM 395 OE2 GLU A 30 -1.878 14.478 4.294 1.00 0.00 O ATOM 0 H GLU A 30 0.467 9.175 3.249 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.912 10.696 1.116 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -2.002 10.795 3.434 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.544 11.587 3.998 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.894 13.380 2.287 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.391 12.604 1.812 1.00 0.00 H new ATOM 402 N LEU A 31 1.000 12.315 0.876 1.00 0.00 N ATOM 403 CA LEU A 31 2.213 13.064 0.564 1.00 0.00 C ATOM 404 C LEU A 31 2.011 14.555 0.814 1.00 0.00 C ATOM 405 O LEU A 31 0.883 15.048 0.810 1.00 0.00 O ATOM 406 CB LEU A 31 2.621 12.829 -0.891 1.00 0.00 C ATOM 407 CG LEU A 31 2.893 11.377 -1.286 1.00 0.00 C ATOM 408 CD1 LEU A 31 2.737 11.195 -2.788 1.00 0.00 C ATOM 409 CD2 LEU A 31 4.284 10.954 -0.838 1.00 0.00 C ATOM 0 H LEU A 31 0.194 12.559 0.301 1.00 0.00 H new ATOM 0 HA LEU A 31 3.009 12.709 1.219 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.833 13.218 -1.536 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.518 13.414 -1.095 1.00 0.00 H new ATOM 0 HG LEU A 31 2.163 10.741 -0.785 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.934 10.156 -3.051 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.721 11.457 -3.083 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.444 11.841 -3.308 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.460 9.918 -1.127 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.029 11.594 -1.310 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.361 11.046 0.245 1.00 0.00 H new ATOM 421 N SER A 32 3.112 15.268 1.028 1.00 0.00 N ATOM 422 CA SER A 32 3.056 16.703 1.281 1.00 0.00 C ATOM 423 C SER A 32 2.238 17.413 0.206 1.00 0.00 C ATOM 424 O SER A 32 1.664 18.475 0.445 1.00 0.00 O ATOM 425 CB SER A 32 4.469 17.289 1.333 1.00 0.00 C ATOM 426 OG SER A 32 4.485 18.520 2.034 1.00 0.00 O ATOM 0 H SER A 32 4.053 14.876 1.031 1.00 0.00 H new ATOM 0 HA SER A 32 2.570 16.858 2.244 1.00 0.00 H new ATOM 0 HB2 SER A 32 5.142 16.582 1.818 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.841 17.439 0.320 1.00 0.00 H new ATOM 0 HG SER A 32 5.399 18.873 2.055 1.00 0.00 H new ATOM 432 N LYS A 33 2.190 16.817 -0.981 1.00 0.00 N ATOM 433 CA LYS A 33 1.442 17.389 -2.095 1.00 0.00 C ATOM 434 C LYS A 33 1.304 16.381 -3.231 1.00 0.00 C ATOM 435 O LYS A 33 2.191 15.558 -3.455 1.00 0.00 O ATOM 436 CB LYS A 33 2.134 18.656 -2.603 1.00 0.00 C ATOM 437 CG LYS A 33 3.480 18.394 -3.256 1.00 0.00 C ATOM 438 CD LYS A 33 3.785 19.418 -4.336 1.00 0.00 C ATOM 439 CE LYS A 33 5.065 19.076 -5.083 1.00 0.00 C ATOM 440 NZ LYS A 33 4.956 17.777 -5.803 1.00 0.00 N ATOM 0 H LYS A 33 2.660 15.938 -1.196 1.00 0.00 H new ATOM 0 HA LYS A 33 0.445 17.646 -1.738 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.482 19.153 -3.321 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.272 19.344 -1.769 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.264 18.418 -2.499 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.487 17.394 -3.689 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.954 19.465 -5.039 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.878 20.406 -3.886 1.00 0.00 H new ATOM 0 HE2 LYS A 33 5.292 19.869 -5.796 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.896 19.033 -4.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.624 17.095 -5.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.987 17.410 -5.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 5.180 17.918 -6.809 1.00 0.00 H new ATOM 454 N ALA A 34 0.187 16.454 -3.948 1.00 0.00 N ATOM 455 CA ALA A 34 -0.065 15.551 -5.064 1.00 0.00 C ATOM 456 C ALA A 34 1.194 15.346 -5.900 1.00 0.00 C ATOM 457 O ALA A 34 1.733 16.295 -6.468 1.00 0.00 O ATOM 458 CB ALA A 34 -1.196 16.085 -5.930 1.00 0.00 C ATOM 0 H ALA A 34 -0.558 17.129 -3.776 1.00 0.00 H new ATOM 0 HA ALA A 34 -0.360 14.584 -4.657 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -1.373 15.401 -6.760 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.103 16.172 -5.331 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.923 17.065 -6.320 1.00 0.00 H new ATOM 464 N ALA A 35 1.657 14.103 -5.970 1.00 0.00 N ATOM 465 CA ALA A 35 2.851 13.775 -6.738 1.00 0.00 C ATOM 466 C ALA A 35 2.858 12.304 -7.141 1.00 0.00 C ATOM 467 O ALA A 35 2.341 11.439 -6.434 1.00 0.00 O ATOM 468 CB ALA A 35 4.102 14.110 -5.938 1.00 0.00 C ATOM 0 H ALA A 35 1.223 13.306 -5.504 1.00 0.00 H new ATOM 0 HA ALA A 35 2.843 14.375 -7.648 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.986 13.860 -6.524 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.110 15.175 -5.705 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.106 13.536 -5.012 1.00 0.00 H new ATOM 474 N PRO A 36 3.455 12.012 -8.306 1.00 0.00 N ATOM 475 CA PRO A 36 3.542 10.646 -8.830 1.00 0.00 C ATOM 476 C PRO A 36 4.488 9.771 -8.014 1.00 0.00 C ATOM 477 O PRO A 36 5.559 10.216 -7.600 1.00 0.00 O ATOM 478 CB PRO A 36 4.086 10.843 -10.247 1.00 0.00 C ATOM 479 CG PRO A 36 4.828 12.134 -10.192 1.00 0.00 C ATOM 480 CD PRO A 36 4.091 12.993 -9.202 1.00 0.00 C ATOM 0 HA PRO A 36 2.580 10.135 -8.795 1.00 0.00 H new ATOM 0 HB2 PRO A 36 4.741 10.022 -10.537 1.00 0.00 H new ATOM 0 HB3 PRO A 36 3.279 10.881 -10.979 1.00 0.00 H new ATOM 0 HG2 PRO A 36 5.861 11.978 -9.880 1.00 0.00 H new ATOM 0 HG3 PRO A 36 4.859 12.608 -11.173 1.00 0.00 H new ATOM 0 HD2 PRO A 36 4.768 13.653 -8.660 1.00 0.00 H new ATOM 0 HD3 PRO A 36 3.353 13.628 -9.692 1.00 0.00 H new ATOM 488 N VAL A 37 4.086 8.525 -7.787 1.00 0.00 N ATOM 489 CA VAL A 37 4.898 7.587 -7.021 1.00 0.00 C ATOM 490 C VAL A 37 5.111 6.289 -7.791 1.00 0.00 C ATOM 491 O VAL A 37 4.682 6.158 -8.937 1.00 0.00 O ATOM 492 CB VAL A 37 4.252 7.264 -5.661 1.00 0.00 C ATOM 493 CG1 VAL A 37 4.074 8.532 -4.840 1.00 0.00 C ATOM 494 CG2 VAL A 37 2.920 6.557 -5.859 1.00 0.00 C ATOM 0 H VAL A 37 3.203 8.141 -8.123 1.00 0.00 H new ATOM 0 HA VAL A 37 5.861 8.068 -6.851 1.00 0.00 H new ATOM 0 HB VAL A 37 4.915 6.595 -5.113 1.00 0.00 H new ATOM 0 HG11 VAL A 37 3.616 8.284 -3.882 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.046 8.994 -4.669 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.432 9.228 -5.380 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.477 6.336 -4.888 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.247 7.200 -6.426 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.079 5.627 -6.405 1.00 0.00 H new ATOM 504 N GLU A 38 5.777 5.331 -7.153 1.00 0.00 N ATOM 505 CA GLU A 38 6.047 4.042 -7.779 1.00 0.00 C ATOM 506 C GLU A 38 6.186 2.945 -6.727 1.00 0.00 C ATOM 507 O GLU A 38 7.165 2.906 -5.982 1.00 0.00 O ATOM 508 CB GLU A 38 7.320 4.117 -8.625 1.00 0.00 C ATOM 509 CG GLU A 38 7.463 2.971 -9.612 1.00 0.00 C ATOM 510 CD GLU A 38 8.370 3.316 -10.778 1.00 0.00 C ATOM 511 OE1 GLU A 38 8.193 4.404 -11.364 1.00 0.00 O ATOM 512 OE2 GLU A 38 9.254 2.497 -11.104 1.00 0.00 O ATOM 0 H GLU A 38 6.139 5.423 -6.204 1.00 0.00 H new ATOM 0 HA GLU A 38 5.204 3.797 -8.425 1.00 0.00 H new ATOM 0 HB2 GLU A 38 7.328 5.060 -9.172 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.186 4.126 -7.963 1.00 0.00 H new ATOM 0 HG2 GLU A 38 7.859 2.098 -9.094 1.00 0.00 H new ATOM 0 HG3 GLU A 38 6.478 2.697 -9.991 1.00 0.00 H new ATOM 519 N TRP A 39 5.201 2.056 -6.674 1.00 0.00 N ATOM 520 CA TRP A 39 5.213 0.959 -5.713 1.00 0.00 C ATOM 521 C TRP A 39 6.145 -0.157 -6.173 1.00 0.00 C ATOM 522 O TRP A 39 6.206 -0.477 -7.361 1.00 0.00 O ATOM 523 CB TRP A 39 3.798 0.410 -5.517 1.00 0.00 C ATOM 524 CG TRP A 39 2.827 1.438 -5.021 1.00 0.00 C ATOM 525 CD1 TRP A 39 2.236 2.428 -5.753 1.00 0.00 C ATOM 526 CD2 TRP A 39 2.335 1.577 -3.683 1.00 0.00 C ATOM 527 NE1 TRP A 39 1.406 3.174 -4.951 1.00 0.00 N ATOM 528 CE2 TRP A 39 1.449 2.672 -3.677 1.00 0.00 C ATOM 529 CE3 TRP A 39 2.555 0.882 -2.491 1.00 0.00 C ATOM 530 CZ2 TRP A 39 0.786 3.086 -2.525 1.00 0.00 C ATOM 531 CZ3 TRP A 39 1.897 1.295 -1.348 1.00 0.00 C ATOM 532 CH2 TRP A 39 1.021 2.388 -1.372 1.00 0.00 C ATOM 0 H TRP A 39 4.384 2.073 -7.285 1.00 0.00 H new ATOM 0 HA TRP A 39 5.580 1.345 -4.762 1.00 0.00 H new ATOM 0 HB2 TRP A 39 3.438 0.007 -6.463 1.00 0.00 H new ATOM 0 HB3 TRP A 39 3.832 -0.419 -4.810 1.00 0.00 H new ATOM 0 HD1 TRP A 39 2.397 2.599 -6.807 1.00 0.00 H new ATOM 0 HE1 TRP A 39 0.848 3.972 -5.255 1.00 0.00 H new ATOM 0 HE3 TRP A 39 3.227 0.037 -2.463 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 0.110 3.928 -2.541 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 2.061 0.766 -0.421 1.00 0.00 H new ATOM 0 HH2 TRP A 39 0.521 2.686 -0.462 1.00 0.00 H new ATOM 543 N ARG A 40 6.868 -0.746 -5.227 1.00 0.00 N ATOM 544 CA ARG A 40 7.798 -1.825 -5.536 1.00 0.00 C ATOM 545 C ARG A 40 7.829 -2.855 -4.411 1.00 0.00 C ATOM 546 O ARG A 40 7.995 -2.508 -3.241 1.00 0.00 O ATOM 547 CB ARG A 40 9.203 -1.266 -5.769 1.00 0.00 C ATOM 548 CG ARG A 40 9.337 -0.474 -7.059 1.00 0.00 C ATOM 549 CD ARG A 40 10.787 -0.117 -7.346 1.00 0.00 C ATOM 550 NE ARG A 40 11.390 0.641 -6.253 1.00 0.00 N ATOM 551 CZ ARG A 40 12.698 0.683 -6.022 1.00 0.00 C ATOM 552 NH1 ARG A 40 13.534 0.014 -6.804 1.00 0.00 N ATOM 553 NH2 ARG A 40 13.171 1.395 -5.007 1.00 0.00 N ATOM 0 H ARG A 40 6.828 -0.494 -4.239 1.00 0.00 H new ATOM 0 HA ARG A 40 7.455 -2.317 -6.446 1.00 0.00 H new ATOM 0 HB2 ARG A 40 9.474 -0.626 -4.930 1.00 0.00 H new ATOM 0 HB3 ARG A 40 9.915 -2.091 -5.783 1.00 0.00 H new ATOM 0 HG2 ARG A 40 8.934 -1.056 -7.888 1.00 0.00 H new ATOM 0 HG3 ARG A 40 8.743 0.438 -6.991 1.00 0.00 H new ATOM 0 HD2 ARG A 40 11.359 -1.030 -7.513 1.00 0.00 H new ATOM 0 HD3 ARG A 40 10.842 0.466 -8.265 1.00 0.00 H new ATOM 0 HE ARG A 40 10.774 1.167 -5.633 1.00 0.00 H new ATOM 0 HH11 ARG A 40 13.174 -0.534 -7.585 1.00 0.00 H new ATOM 0 HH12 ARG A 40 14.538 0.048 -6.625 1.00 0.00 H new ATOM 0 HH21 ARG A 40 12.530 1.911 -4.403 1.00 0.00 H new ATOM 0 HH22 ARG A 40 14.175 1.427 -4.830 1.00 0.00 H new ATOM 567 N LYS A 41 7.668 -4.124 -4.772 1.00 0.00 N ATOM 568 CA LYS A 41 7.678 -5.205 -3.795 1.00 0.00 C ATOM 569 C LYS A 41 9.066 -5.829 -3.687 1.00 0.00 C ATOM 570 O LYS A 41 10.024 -5.339 -4.283 1.00 0.00 O ATOM 571 CB LYS A 41 6.654 -6.277 -4.179 1.00 0.00 C ATOM 572 CG LYS A 41 7.143 -7.225 -5.260 1.00 0.00 C ATOM 573 CD LYS A 41 6.275 -8.469 -5.343 1.00 0.00 C ATOM 574 CE LYS A 41 4.803 -8.136 -5.155 1.00 0.00 C ATOM 575 NZ LYS A 41 3.944 -9.349 -5.246 1.00 0.00 N ATOM 0 H LYS A 41 7.529 -4.428 -5.736 1.00 0.00 H new ATOM 0 HA LYS A 41 7.411 -4.786 -2.825 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.394 -6.854 -3.292 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.741 -5.790 -4.521 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.141 -6.713 -6.222 1.00 0.00 H new ATOM 0 HG3 LYS A 41 8.174 -7.512 -5.054 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.419 -8.951 -6.310 1.00 0.00 H new ATOM 0 HD3 LYS A 41 6.588 -9.183 -4.581 1.00 0.00 H new ATOM 0 HE2 LYS A 41 4.659 -7.661 -4.184 1.00 0.00 H new ATOM 0 HE3 LYS A 41 4.494 -7.415 -5.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 3.181 -9.184 -5.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 4.519 -10.159 -5.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 3.531 -9.553 -4.313 1.00 0.00 H new ATOM 589 N GLY A 42 9.165 -6.913 -2.924 1.00 0.00 N ATOM 590 CA GLY A 42 10.440 -7.586 -2.754 1.00 0.00 C ATOM 591 C GLY A 42 11.329 -7.460 -3.975 1.00 0.00 C ATOM 592 O GLY A 42 11.181 -8.210 -4.941 1.00 0.00 O ATOM 0 H GLY A 42 8.386 -7.337 -2.421 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.955 -7.169 -1.889 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.265 -8.641 -2.543 1.00 0.00 H new ATOM 596 N LEU A 43 12.256 -6.509 -3.934 1.00 0.00 N ATOM 597 CA LEU A 43 13.172 -6.285 -5.047 1.00 0.00 C ATOM 598 C LEU A 43 12.492 -6.578 -6.380 1.00 0.00 C ATOM 599 O LEU A 43 13.046 -7.276 -7.229 1.00 0.00 O ATOM 600 CB LEU A 43 14.416 -7.162 -4.892 1.00 0.00 C ATOM 601 CG LEU A 43 15.507 -6.621 -3.967 1.00 0.00 C ATOM 602 CD1 LEU A 43 16.044 -5.298 -4.490 1.00 0.00 C ATOM 603 CD2 LEU A 43 14.974 -6.461 -2.551 1.00 0.00 C ATOM 0 H LEU A 43 12.393 -5.881 -3.142 1.00 0.00 H new ATOM 0 HA LEU A 43 13.470 -5.236 -5.036 1.00 0.00 H new ATOM 0 HB2 LEU A 43 14.104 -8.138 -4.521 1.00 0.00 H new ATOM 0 HB3 LEU A 43 14.850 -7.320 -5.879 1.00 0.00 H new ATOM 0 HG LEU A 43 16.327 -7.338 -3.946 1.00 0.00 H new ATOM 0 HD11 LEU A 43 16.819 -4.929 -3.818 1.00 0.00 H new ATOM 0 HD12 LEU A 43 16.465 -5.444 -5.485 1.00 0.00 H new ATOM 0 HD13 LEU A 43 15.233 -4.571 -4.542 1.00 0.00 H new ATOM 0 HD21 LEU A 43 15.764 -6.075 -1.906 1.00 0.00 H new ATOM 0 HD22 LEU A 43 14.136 -5.765 -2.554 1.00 0.00 H new ATOM 0 HD23 LEU A 43 14.640 -7.429 -2.176 1.00 0.00 H new ATOM 615 N GLU A 44 11.290 -6.038 -6.557 1.00 0.00 N ATOM 616 CA GLU A 44 10.536 -6.241 -7.788 1.00 0.00 C ATOM 617 C GLU A 44 9.703 -5.008 -8.126 1.00 0.00 C ATOM 618 O GLU A 44 9.261 -4.282 -7.236 1.00 0.00 O ATOM 619 CB GLU A 44 9.626 -7.465 -7.659 1.00 0.00 C ATOM 620 CG GLU A 44 8.858 -7.789 -8.930 1.00 0.00 C ATOM 621 CD GLU A 44 9.603 -8.752 -9.833 1.00 0.00 C ATOM 622 OE1 GLU A 44 10.460 -8.289 -10.615 1.00 0.00 O ATOM 623 OE2 GLU A 44 9.330 -9.968 -9.758 1.00 0.00 O ATOM 0 H GLU A 44 10.818 -5.457 -5.864 1.00 0.00 H new ATOM 0 HA GLU A 44 11.248 -6.410 -8.596 1.00 0.00 H new ATOM 0 HB2 GLU A 44 10.230 -8.328 -7.379 1.00 0.00 H new ATOM 0 HB3 GLU A 44 8.917 -7.296 -6.849 1.00 0.00 H new ATOM 0 HG2 GLU A 44 7.891 -8.218 -8.666 1.00 0.00 H new ATOM 0 HG3 GLU A 44 8.659 -6.866 -9.475 1.00 0.00 H new ATOM 630 N ALA A 45 9.495 -4.778 -9.418 1.00 0.00 N ATOM 631 CA ALA A 45 8.715 -3.634 -9.874 1.00 0.00 C ATOM 632 C ALA A 45 7.269 -4.030 -10.149 1.00 0.00 C ATOM 633 O ALA A 45 7.004 -5.048 -10.791 1.00 0.00 O ATOM 634 CB ALA A 45 9.345 -3.029 -11.121 1.00 0.00 C ATOM 0 H ALA A 45 9.856 -5.369 -10.167 1.00 0.00 H new ATOM 0 HA ALA A 45 8.715 -2.886 -9.081 1.00 0.00 H new ATOM 0 HB1 ALA A 45 8.752 -2.176 -11.451 1.00 0.00 H new ATOM 0 HB2 ALA A 45 10.359 -2.700 -10.893 1.00 0.00 H new ATOM 0 HB3 ALA A 45 9.375 -3.777 -11.913 1.00 0.00 H new ATOM 640 N LEU A 46 6.335 -3.222 -9.660 1.00 0.00 N ATOM 641 CA LEU A 46 4.914 -3.489 -9.853 1.00 0.00 C ATOM 642 C LEU A 46 4.332 -2.584 -10.934 1.00 0.00 C ATOM 643 O LEU A 46 4.889 -1.530 -11.241 1.00 0.00 O ATOM 644 CB LEU A 46 4.155 -3.288 -8.540 1.00 0.00 C ATOM 645 CG LEU A 46 4.658 -4.096 -7.344 1.00 0.00 C ATOM 646 CD1 LEU A 46 4.089 -3.541 -6.047 1.00 0.00 C ATOM 647 CD2 LEU A 46 4.294 -5.566 -7.502 1.00 0.00 C ATOM 0 H LEU A 46 6.536 -2.376 -9.127 1.00 0.00 H new ATOM 0 HA LEU A 46 4.804 -4.525 -10.175 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.193 -2.230 -8.280 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.107 -3.538 -8.707 1.00 0.00 H new ATOM 0 HG LEU A 46 5.744 -4.013 -7.305 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.458 -4.129 -5.207 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.400 -2.503 -5.928 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.001 -3.593 -6.076 1.00 0.00 H new ATOM 0 HD21 LEU A 46 4.660 -6.126 -6.641 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.211 -5.668 -7.567 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.750 -5.958 -8.411 1.00 0.00 H new ATOM 659 N ARG A 47 3.207 -3.002 -11.506 1.00 0.00 N ATOM 660 CA ARG A 47 2.549 -2.228 -12.552 1.00 0.00 C ATOM 661 C ARG A 47 1.040 -2.185 -12.327 1.00 0.00 C ATOM 662 O ARG A 47 0.428 -3.188 -11.958 1.00 0.00 O ATOM 663 CB ARG A 47 2.854 -2.826 -13.926 1.00 0.00 C ATOM 664 CG ARG A 47 2.342 -4.247 -14.100 1.00 0.00 C ATOM 665 CD ARG A 47 3.070 -4.968 -15.224 1.00 0.00 C ATOM 666 NE ARG A 47 2.502 -4.654 -16.533 1.00 0.00 N ATOM 667 CZ ARG A 47 3.116 -4.916 -17.682 1.00 0.00 C ATOM 668 NH1 ARG A 47 4.309 -5.493 -17.683 1.00 0.00 N ATOM 669 NH2 ARG A 47 2.535 -4.600 -18.832 1.00 0.00 N ATOM 0 H ARG A 47 2.733 -3.872 -11.263 1.00 0.00 H new ATOM 0 HA ARG A 47 2.934 -1.209 -12.514 1.00 0.00 H new ATOM 0 HB2 ARG A 47 2.411 -2.193 -14.695 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.932 -2.815 -14.086 1.00 0.00 H new ATOM 0 HG2 ARG A 47 2.472 -4.798 -13.169 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.273 -4.226 -14.312 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.124 -4.691 -15.210 1.00 0.00 H new ATOM 0 HD3 ARG A 47 3.021 -6.044 -15.056 1.00 0.00 H new ATOM 0 HE ARG A 47 1.585 -4.210 -16.567 1.00 0.00 H new ATOM 0 HH11 ARG A 47 4.758 -5.737 -16.800 1.00 0.00 H new ATOM 0 HH12 ARG A 47 4.778 -5.693 -18.566 1.00 0.00 H new ATOM 0 HH21 ARG A 47 1.617 -4.156 -18.834 1.00 0.00 H new ATOM 0 HH22 ARG A 47 3.007 -4.801 -19.714 1.00 0.00 H new ATOM 683 N ASP A 48 0.447 -1.018 -12.554 1.00 0.00 N ATOM 684 CA ASP A 48 -0.990 -0.844 -12.377 1.00 0.00 C ATOM 685 C ASP A 48 -1.751 -1.316 -13.613 1.00 0.00 C ATOM 686 O ASP A 48 -1.499 -0.851 -14.724 1.00 0.00 O ATOM 687 CB ASP A 48 -1.317 0.622 -12.091 1.00 0.00 C ATOM 688 CG ASP A 48 -1.345 1.466 -13.350 1.00 0.00 C ATOM 689 OD1 ASP A 48 -0.261 1.879 -13.812 1.00 0.00 O ATOM 690 OD2 ASP A 48 -2.452 1.711 -13.874 1.00 0.00 O ATOM 0 H ASP A 48 0.939 -0.179 -12.861 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.302 -1.450 -11.526 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.285 0.685 -11.594 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -0.577 1.028 -11.401 1.00 0.00 H new ATOM 695 N GLY A 49 -2.682 -2.243 -13.410 1.00 0.00 N ATOM 696 CA GLY A 49 -3.464 -2.763 -14.517 1.00 0.00 C ATOM 697 C GLY A 49 -4.553 -3.714 -14.061 1.00 0.00 C ATOM 698 O GLY A 49 -5.669 -3.292 -13.759 1.00 0.00 O ATOM 0 H GLY A 49 -2.909 -2.643 -12.500 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -3.915 -1.933 -15.061 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.803 -3.279 -15.214 1.00 0.00 H new ATOM 702 N ASP A 50 -4.229 -5.001 -14.014 1.00 0.00 N ATOM 703 CA ASP A 50 -5.188 -6.016 -13.593 1.00 0.00 C ATOM 704 C ASP A 50 -4.793 -6.611 -12.245 1.00 0.00 C ATOM 705 O ASP A 50 -5.558 -6.556 -11.281 1.00 0.00 O ATOM 706 CB ASP A 50 -5.286 -7.123 -14.644 1.00 0.00 C ATOM 707 CG ASP A 50 -6.154 -8.279 -14.187 1.00 0.00 C ATOM 708 OD1 ASP A 50 -5.786 -8.942 -13.195 1.00 0.00 O ATOM 709 OD2 ASP A 50 -7.202 -8.520 -14.821 1.00 0.00 O ATOM 0 H ASP A 50 -3.310 -5.367 -14.262 1.00 0.00 H new ATOM 0 HA ASP A 50 -6.162 -5.538 -13.488 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.693 -6.709 -15.567 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.286 -7.492 -14.874 1.00 0.00 H new ATOM 714 N LYS A 51 -3.594 -7.181 -12.184 1.00 0.00 N ATOM 715 CA LYS A 51 -3.096 -7.786 -10.955 1.00 0.00 C ATOM 716 C LYS A 51 -3.306 -6.855 -9.765 1.00 0.00 C ATOM 717 O LYS A 51 -3.787 -7.276 -8.713 1.00 0.00 O ATOM 718 CB LYS A 51 -1.610 -8.124 -11.094 1.00 0.00 C ATOM 719 CG LYS A 51 -0.970 -8.599 -9.801 1.00 0.00 C ATOM 720 CD LYS A 51 -1.474 -9.976 -9.402 1.00 0.00 C ATOM 721 CE LYS A 51 -1.167 -10.281 -7.944 1.00 0.00 C ATOM 722 NZ LYS A 51 -2.266 -9.838 -7.041 1.00 0.00 N ATOM 0 H LYS A 51 -2.949 -7.236 -12.972 1.00 0.00 H new ATOM 0 HA LYS A 51 -3.657 -8.704 -10.779 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -1.491 -8.897 -11.853 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -1.077 -7.242 -11.451 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.113 -8.627 -9.919 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.185 -7.887 -9.004 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.550 -10.033 -9.568 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.013 -10.732 -10.038 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.007 -11.352 -7.823 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -0.239 -9.786 -7.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -1.898 -9.728 -6.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -2.643 -8.928 -7.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -3.025 -10.549 -7.043 1.00 0.00 H new ATOM 736 N TYR A 52 -2.945 -5.589 -9.940 1.00 0.00 N ATOM 737 CA TYR A 52 -3.094 -4.598 -8.880 1.00 0.00 C ATOM 738 C TYR A 52 -4.071 -3.502 -9.293 1.00 0.00 C ATOM 739 O TYR A 52 -4.325 -3.295 -10.479 1.00 0.00 O ATOM 740 CB TYR A 52 -1.737 -3.984 -8.534 1.00 0.00 C ATOM 741 CG TYR A 52 -0.672 -5.008 -8.214 1.00 0.00 C ATOM 742 CD1 TYR A 52 -0.001 -5.681 -9.228 1.00 0.00 C ATOM 743 CD2 TYR A 52 -0.336 -5.303 -6.899 1.00 0.00 C ATOM 744 CE1 TYR A 52 0.973 -6.618 -8.940 1.00 0.00 C ATOM 745 CE2 TYR A 52 0.637 -6.238 -6.602 1.00 0.00 C ATOM 746 CZ TYR A 52 1.288 -6.893 -7.626 1.00 0.00 C ATOM 747 OH TYR A 52 2.258 -7.825 -7.336 1.00 0.00 O ATOM 0 H TYR A 52 -2.547 -5.224 -10.805 1.00 0.00 H new ATOM 0 HA TYR A 52 -3.493 -5.101 -7.999 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -1.401 -3.372 -9.371 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.857 -3.318 -7.680 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -0.245 -5.468 -10.258 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -0.844 -4.793 -6.094 1.00 0.00 H new ATOM 0 HE1 TYR A 52 1.485 -7.132 -9.740 1.00 0.00 H new ATOM 0 HE2 TYR A 52 0.886 -6.455 -5.574 1.00 0.00 H new ATOM 0 HH TYR A 52 2.921 -7.842 -8.057 1.00 0.00 H new ATOM 757 N SER A 53 -4.616 -2.801 -8.303 1.00 0.00 N ATOM 758 CA SER A 53 -5.568 -1.727 -8.561 1.00 0.00 C ATOM 759 C SER A 53 -5.208 -0.478 -7.762 1.00 0.00 C ATOM 760 O SER A 53 -5.692 -0.279 -6.647 1.00 0.00 O ATOM 761 CB SER A 53 -6.987 -2.179 -8.210 1.00 0.00 C ATOM 762 OG SER A 53 -7.948 -1.499 -8.998 1.00 0.00 O ATOM 0 H SER A 53 -4.414 -2.958 -7.315 1.00 0.00 H new ATOM 0 HA SER A 53 -5.524 -1.483 -9.623 1.00 0.00 H new ATOM 0 HB2 SER A 53 -7.079 -3.254 -8.366 1.00 0.00 H new ATOM 0 HB3 SER A 53 -7.181 -1.993 -7.154 1.00 0.00 H new ATOM 0 HG SER A 53 -8.846 -1.807 -8.756 1.00 0.00 H new ATOM 768 N LEU A 54 -4.354 0.360 -8.340 1.00 0.00 N ATOM 769 CA LEU A 54 -3.927 1.591 -7.683 1.00 0.00 C ATOM 770 C LEU A 54 -5.068 2.602 -7.627 1.00 0.00 C ATOM 771 O LEU A 54 -5.307 3.336 -8.586 1.00 0.00 O ATOM 772 CB LEU A 54 -2.730 2.196 -8.418 1.00 0.00 C ATOM 773 CG LEU A 54 -1.404 1.448 -8.270 1.00 0.00 C ATOM 774 CD1 LEU A 54 -0.867 1.589 -6.854 1.00 0.00 C ATOM 775 CD2 LEU A 54 -1.576 -0.019 -8.634 1.00 0.00 C ATOM 0 H LEU A 54 -3.944 0.210 -9.262 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.633 1.346 -6.663 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.973 2.257 -9.479 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.590 3.217 -8.064 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.681 1.889 -8.956 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.077 1.050 -6.767 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.705 2.643 -6.630 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.587 1.174 -6.149 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.623 -0.536 -8.523 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.314 -0.474 -7.973 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.915 -0.100 -9.667 1.00 0.00 H new ATOM 787 N ARG A 55 -5.767 2.635 -6.497 1.00 0.00 N ATOM 788 CA ARG A 55 -6.882 3.557 -6.316 1.00 0.00 C ATOM 789 C ARG A 55 -6.398 4.894 -5.762 1.00 0.00 C ATOM 790 O ARG A 55 -6.892 5.367 -4.739 1.00 0.00 O ATOM 791 CB ARG A 55 -7.925 2.951 -5.375 1.00 0.00 C ATOM 792 CG ARG A 55 -9.341 3.434 -5.643 1.00 0.00 C ATOM 793 CD ARG A 55 -10.028 2.587 -6.703 1.00 0.00 C ATOM 794 NE ARG A 55 -10.675 1.410 -6.128 1.00 0.00 N ATOM 795 CZ ARG A 55 -11.396 0.549 -6.837 1.00 0.00 C ATOM 796 NH1 ARG A 55 -11.561 0.731 -8.140 1.00 0.00 N ATOM 797 NH2 ARG A 55 -11.954 -0.498 -6.242 1.00 0.00 N ATOM 0 H ARG A 55 -5.581 2.034 -5.694 1.00 0.00 H new ATOM 0 HA ARG A 55 -7.339 3.731 -7.290 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -7.897 1.865 -5.466 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -7.657 3.191 -4.346 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -9.919 3.401 -4.719 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -9.316 4.474 -5.967 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -10.771 3.191 -7.224 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -9.295 2.271 -7.446 1.00 0.00 H new ATOM 0 HE ARG A 55 -10.567 1.240 -5.128 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -11.134 1.534 -8.601 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -12.115 0.068 -8.681 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -11.829 -0.642 -5.240 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -12.508 -1.159 -6.787 1.00 0.00 H new ATOM 811 N GLN A 56 -5.429 5.495 -6.444 1.00 0.00 N ATOM 812 CA GLN A 56 -4.877 6.776 -6.019 1.00 0.00 C ATOM 813 C GLN A 56 -5.885 7.901 -6.234 1.00 0.00 C ATOM 814 O GLN A 56 -6.406 8.078 -7.335 1.00 0.00 O ATOM 815 CB GLN A 56 -3.587 7.079 -6.783 1.00 0.00 C ATOM 816 CG GLN A 56 -2.989 8.437 -6.454 1.00 0.00 C ATOM 817 CD GLN A 56 -1.905 8.849 -7.429 1.00 0.00 C ATOM 818 OE1 GLN A 56 -1.916 8.449 -8.594 1.00 0.00 O ATOM 819 NE2 GLN A 56 -0.959 9.654 -6.958 1.00 0.00 N ATOM 0 H GLN A 56 -5.010 5.116 -7.293 1.00 0.00 H new ATOM 0 HA GLN A 56 -4.653 6.711 -4.954 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -2.853 6.305 -6.561 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -3.788 7.030 -7.853 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -3.779 9.188 -6.457 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -2.575 8.413 -5.446 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -0.988 9.961 -5.986 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -0.203 9.965 -7.569 1.00 0.00 H new ATOM 828 N ASP A 57 -6.155 8.657 -5.176 1.00 0.00 N ATOM 829 CA ASP A 57 -7.100 9.765 -5.249 1.00 0.00 C ATOM 830 C ASP A 57 -6.405 11.091 -4.955 1.00 0.00 C ATOM 831 O ASP A 57 -6.413 11.570 -3.822 1.00 0.00 O ATOM 832 CB ASP A 57 -8.250 9.548 -4.264 1.00 0.00 C ATOM 833 CG ASP A 57 -9.407 10.497 -4.508 1.00 0.00 C ATOM 834 OD1 ASP A 57 -9.985 10.456 -5.614 1.00 0.00 O ATOM 835 OD2 ASP A 57 -9.736 11.279 -3.591 1.00 0.00 O ATOM 0 H ASP A 57 -5.733 8.523 -4.257 1.00 0.00 H new ATOM 0 HA ASP A 57 -7.502 9.802 -6.262 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -8.604 8.520 -4.344 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -7.883 9.681 -3.246 1.00 0.00 H new ATOM 840 N GLY A 58 -5.804 11.679 -5.985 1.00 0.00 N ATOM 841 CA GLY A 58 -5.112 12.944 -5.817 1.00 0.00 C ATOM 842 C GLY A 58 -3.801 12.793 -5.071 1.00 0.00 C ATOM 843 O GLY A 58 -2.835 12.249 -5.605 1.00 0.00 O ATOM 0 H GLY A 58 -5.784 11.302 -6.933 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.921 13.383 -6.796 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.756 13.638 -5.277 1.00 0.00 H new ATOM 847 N ALA A 59 -3.766 13.277 -3.834 1.00 0.00 N ATOM 848 CA ALA A 59 -2.564 13.192 -3.014 1.00 0.00 C ATOM 849 C ALA A 59 -2.516 11.878 -2.243 1.00 0.00 C ATOM 850 O ALA A 59 -1.445 11.311 -2.028 1.00 0.00 O ATOM 851 CB ALA A 59 -2.495 14.372 -2.055 1.00 0.00 C ATOM 0 H ALA A 59 -4.557 13.732 -3.378 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.699 13.225 -3.677 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -1.592 14.296 -1.449 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -2.473 15.302 -2.623 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.370 14.364 -1.405 1.00 0.00 H new ATOM 857 N VAL A 60 -3.684 11.398 -1.829 1.00 0.00 N ATOM 858 CA VAL A 60 -3.776 10.149 -1.081 1.00 0.00 C ATOM 859 C VAL A 60 -3.745 8.945 -2.017 1.00 0.00 C ATOM 860 O VAL A 60 -4.743 8.623 -2.663 1.00 0.00 O ATOM 861 CB VAL A 60 -5.061 10.095 -0.234 1.00 0.00 C ATOM 862 CG1 VAL A 60 -5.141 8.783 0.531 1.00 0.00 C ATOM 863 CG2 VAL A 60 -5.123 11.281 0.716 1.00 0.00 C ATOM 0 H VAL A 60 -4.580 11.855 -1.999 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.912 10.112 -0.418 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.920 10.150 -0.903 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -6.055 8.763 1.124 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.147 7.951 -0.173 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.278 8.694 1.191 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.038 11.227 1.307 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.260 11.260 1.381 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.116 12.208 0.142 1.00 0.00 H new ATOM 873 N CYS A 61 -2.595 8.285 -2.084 1.00 0.00 N ATOM 874 CA CYS A 61 -2.434 7.115 -2.941 1.00 0.00 C ATOM 875 C CYS A 61 -2.958 5.860 -2.252 1.00 0.00 C ATOM 876 O CYS A 61 -2.969 5.773 -1.025 1.00 0.00 O ATOM 877 CB CYS A 61 -0.963 6.930 -3.315 1.00 0.00 C ATOM 878 SG CYS A 61 -0.212 8.378 -4.095 1.00 0.00 S ATOM 0 H CYS A 61 -1.760 8.539 -1.556 1.00 0.00 H new ATOM 0 HA CYS A 61 -3.015 7.278 -3.849 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -0.399 6.682 -2.416 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -0.875 6.080 -3.991 1.00 0.00 H new ATOM 0 HG CYS A 61 1.033 8.125 -4.372 1.00 0.00 H new ATOM 884 N GLU A 62 -3.394 4.890 -3.051 1.00 0.00 N ATOM 885 CA GLU A 62 -3.922 3.641 -2.516 1.00 0.00 C ATOM 886 C GLU A 62 -3.567 2.467 -3.426 1.00 0.00 C ATOM 887 O GLU A 62 -3.715 2.546 -4.646 1.00 0.00 O ATOM 888 CB GLU A 62 -5.440 3.732 -2.351 1.00 0.00 C ATOM 889 CG GLU A 62 -6.092 2.411 -1.977 1.00 0.00 C ATOM 890 CD GLU A 62 -7.510 2.584 -1.466 1.00 0.00 C ATOM 891 OE1 GLU A 62 -7.715 3.418 -0.559 1.00 0.00 O ATOM 892 OE2 GLU A 62 -8.413 1.887 -1.973 1.00 0.00 O ATOM 0 H GLU A 62 -3.392 4.946 -4.069 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.468 3.472 -1.540 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.670 4.471 -1.584 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -5.877 4.093 -3.282 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.101 1.755 -2.848 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.492 1.918 -1.212 1.00 0.00 H new ATOM 899 N LEU A 63 -3.099 1.380 -2.823 1.00 0.00 N ATOM 900 CA LEU A 63 -2.723 0.189 -3.577 1.00 0.00 C ATOM 901 C LEU A 63 -3.536 -1.020 -3.127 1.00 0.00 C ATOM 902 O LEU A 63 -3.458 -1.437 -1.972 1.00 0.00 O ATOM 903 CB LEU A 63 -1.229 -0.095 -3.408 1.00 0.00 C ATOM 904 CG LEU A 63 -0.745 -1.459 -3.901 1.00 0.00 C ATOM 905 CD1 LEU A 63 -0.504 -1.428 -5.402 1.00 0.00 C ATOM 906 CD2 LEU A 63 0.520 -1.874 -3.164 1.00 0.00 C ATOM 0 H LEU A 63 -2.971 1.298 -1.814 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.935 0.374 -4.630 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.671 0.679 -3.935 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.980 -0.004 -2.351 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.521 -2.196 -3.693 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.160 -2.407 -5.736 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.432 -1.176 -5.914 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.253 -0.679 -5.634 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.850 -2.847 -3.528 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.303 -1.136 -3.340 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.315 -1.937 -2.095 1.00 0.00 H new ATOM 918 N GLN A 64 -4.315 -1.579 -4.049 1.00 0.00 N ATOM 919 CA GLN A 64 -5.141 -2.742 -3.746 1.00 0.00 C ATOM 920 C GLN A 64 -4.588 -3.993 -4.421 1.00 0.00 C ATOM 921 O GLN A 64 -4.454 -4.042 -5.644 1.00 0.00 O ATOM 922 CB GLN A 64 -6.583 -2.500 -4.197 1.00 0.00 C ATOM 923 CG GLN A 64 -7.366 -1.586 -3.268 1.00 0.00 C ATOM 924 CD GLN A 64 -8.833 -1.497 -3.637 1.00 0.00 C ATOM 925 OE1 GLN A 64 -9.333 -0.428 -3.989 1.00 0.00 O ATOM 926 NE2 GLN A 64 -9.533 -2.623 -3.558 1.00 0.00 N ATOM 0 H GLN A 64 -4.391 -1.246 -5.010 1.00 0.00 H new ATOM 0 HA GLN A 64 -5.126 -2.897 -2.667 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.574 -2.066 -5.197 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -7.098 -3.458 -4.269 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -7.274 -1.950 -2.245 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -6.928 -0.588 -3.292 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -9.078 -3.487 -3.262 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -10.525 -2.624 -3.794 1.00 0.00 H new ATOM 935 N ILE A 65 -4.269 -5.000 -3.616 1.00 0.00 N ATOM 936 CA ILE A 65 -3.731 -6.252 -4.135 1.00 0.00 C ATOM 937 C ILE A 65 -4.823 -7.308 -4.263 1.00 0.00 C ATOM 938 O ILE A 65 -5.392 -7.753 -3.266 1.00 0.00 O ATOM 939 CB ILE A 65 -2.607 -6.798 -3.236 1.00 0.00 C ATOM 940 CG1 ILE A 65 -1.536 -5.727 -3.013 1.00 0.00 C ATOM 941 CG2 ILE A 65 -1.994 -8.046 -3.853 1.00 0.00 C ATOM 942 CD1 ILE A 65 -0.828 -5.849 -1.682 1.00 0.00 C ATOM 0 H ILE A 65 -4.374 -4.974 -2.602 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.322 -6.034 -5.122 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.034 -7.066 -2.269 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.800 -5.789 -3.814 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.999 -4.742 -3.080 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -1.201 -8.420 -3.206 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -2.762 -8.811 -3.965 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -1.579 -7.802 -4.831 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -0.083 -5.058 -1.592 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.554 -5.757 -0.874 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -0.336 -6.820 -1.619 1.00 0.00 H new ATOM 954 N HIS A 66 -5.110 -7.708 -5.498 1.00 0.00 N ATOM 955 CA HIS A 66 -6.133 -8.715 -5.757 1.00 0.00 C ATOM 956 C HIS A 66 -5.576 -10.121 -5.550 1.00 0.00 C ATOM 957 O HIS A 66 -4.650 -10.540 -6.243 1.00 0.00 O ATOM 958 CB HIS A 66 -6.671 -8.572 -7.181 1.00 0.00 C ATOM 959 CG HIS A 66 -7.521 -7.355 -7.380 1.00 0.00 C ATOM 960 ND1 HIS A 66 -8.839 -7.284 -6.984 1.00 0.00 N ATOM 961 CD2 HIS A 66 -7.232 -6.155 -7.937 1.00 0.00 C ATOM 962 CE1 HIS A 66 -9.326 -6.095 -7.289 1.00 0.00 C ATOM 963 NE2 HIS A 66 -8.370 -5.390 -7.868 1.00 0.00 N ATOM 0 H HIS A 66 -4.649 -7.350 -6.335 1.00 0.00 H new ATOM 0 HA HIS A 66 -6.949 -8.558 -5.051 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -5.832 -8.537 -7.876 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -7.255 -9.458 -7.431 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -9.358 -8.033 -6.526 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -6.283 -5.856 -8.357 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -10.334 -5.757 -7.098 1.00 0.00 H new ATOM 971 N GLY A 67 -6.147 -10.843 -4.591 1.00 0.00 N ATOM 972 CA GLY A 67 -5.694 -12.193 -4.310 1.00 0.00 C ATOM 973 C GLY A 67 -4.410 -12.217 -3.504 1.00 0.00 C ATOM 974 O GLY A 67 -3.314 -12.177 -4.067 1.00 0.00 O ATOM 0 H GLY A 67 -6.915 -10.518 -4.004 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -6.472 -12.728 -3.765 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -5.540 -12.724 -5.249 1.00 0.00 H new ATOM 978 N LEU A 68 -4.543 -12.283 -2.184 1.00 0.00 N ATOM 979 CA LEU A 68 -3.383 -12.311 -1.299 1.00 0.00 C ATOM 980 C LEU A 68 -2.826 -13.725 -1.177 1.00 0.00 C ATOM 981 O LEU A 68 -3.408 -14.679 -1.692 1.00 0.00 O ATOM 982 CB LEU A 68 -3.760 -11.777 0.084 1.00 0.00 C ATOM 983 CG LEU A 68 -3.743 -10.257 0.245 1.00 0.00 C ATOM 984 CD1 LEU A 68 -4.601 -9.835 1.428 1.00 0.00 C ATOM 985 CD2 LEU A 68 -2.316 -9.755 0.413 1.00 0.00 C ATOM 0 H LEU A 68 -5.442 -12.318 -1.703 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.612 -11.673 -1.730 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.759 -12.137 0.330 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.077 -12.207 0.816 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.161 -9.811 -0.657 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.576 -8.750 1.527 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.628 -10.162 1.267 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.214 -10.291 2.339 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.323 -8.671 0.526 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.872 -10.210 1.299 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.730 -10.024 -0.466 1.00 0.00 H new ATOM 997 N ALA A 69 -1.696 -13.853 -0.489 1.00 0.00 N ATOM 998 CA ALA A 69 -1.062 -15.151 -0.295 1.00 0.00 C ATOM 999 C ALA A 69 0.077 -15.060 0.714 1.00 0.00 C ATOM 1000 O ALA A 69 0.375 -13.985 1.234 1.00 0.00 O ATOM 1001 CB ALA A 69 -0.552 -15.693 -1.622 1.00 0.00 C ATOM 0 H ALA A 69 -1.201 -13.073 -0.057 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.810 -15.837 0.102 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.081 -16.663 -1.462 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.387 -15.805 -2.314 1.00 0.00 H new ATOM 0 HB3 ALA A 69 0.177 -15.000 -2.042 1.00 0.00 H new ATOM 1007 N MET A 70 0.711 -16.196 0.988 1.00 0.00 N ATOM 1008 CA MET A 70 1.818 -16.243 1.936 1.00 0.00 C ATOM 1009 C MET A 70 3.034 -15.501 1.389 1.00 0.00 C ATOM 1010 O MET A 70 3.741 -14.819 2.130 1.00 0.00 O ATOM 1011 CB MET A 70 2.190 -17.695 2.246 1.00 0.00 C ATOM 1012 CG MET A 70 1.018 -18.531 2.733 1.00 0.00 C ATOM 1013 SD MET A 70 0.599 -18.205 4.456 1.00 0.00 S ATOM 1014 CE MET A 70 -0.547 -16.840 4.272 1.00 0.00 C ATOM 0 H MET A 70 0.477 -17.095 0.567 1.00 0.00 H new ATOM 0 HA MET A 70 1.498 -15.752 2.855 1.00 0.00 H new ATOM 0 HB2 MET A 70 2.606 -18.154 1.349 1.00 0.00 H new ATOM 0 HB3 MET A 70 2.974 -17.707 3.003 1.00 0.00 H new ATOM 0 HG2 MET A 70 0.148 -18.329 2.107 1.00 0.00 H new ATOM 0 HG3 MET A 70 1.257 -19.588 2.615 1.00 0.00 H new ATOM 0 HE1 MET A 70 -1.407 -16.996 4.924 1.00 0.00 H new ATOM 0 HE2 MET A 70 -0.050 -15.909 4.544 1.00 0.00 H new ATOM 0 HE3 MET A 70 -0.882 -16.784 3.236 1.00 0.00 H new ATOM 1024 N ALA A 71 3.271 -15.639 0.089 1.00 0.00 N ATOM 1025 CA ALA A 71 4.399 -14.980 -0.556 1.00 0.00 C ATOM 1026 C ALA A 71 4.146 -13.484 -0.711 1.00 0.00 C ATOM 1027 O ALA A 71 5.036 -12.667 -0.474 1.00 0.00 O ATOM 1028 CB ALA A 71 4.676 -15.614 -1.912 1.00 0.00 C ATOM 0 H ALA A 71 2.696 -16.202 -0.538 1.00 0.00 H new ATOM 0 HA ALA A 71 5.275 -15.110 0.079 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.521 -15.112 -2.383 1.00 0.00 H new ATOM 0 HB2 ALA A 71 4.910 -16.670 -1.779 1.00 0.00 H new ATOM 0 HB3 ALA A 71 3.796 -15.515 -2.547 1.00 0.00 H new ATOM 1034 N ASP A 72 2.929 -13.133 -1.111 1.00 0.00 N ATOM 1035 CA ASP A 72 2.559 -11.735 -1.298 1.00 0.00 C ATOM 1036 C ASP A 72 3.074 -10.878 -0.145 1.00 0.00 C ATOM 1037 O ASP A 72 3.698 -9.840 -0.361 1.00 0.00 O ATOM 1038 CB ASP A 72 1.040 -11.598 -1.412 1.00 0.00 C ATOM 1039 CG ASP A 72 0.522 -12.022 -2.772 1.00 0.00 C ATOM 1040 OD1 ASP A 72 0.793 -13.171 -3.178 1.00 0.00 O ATOM 1041 OD2 ASP A 72 -0.154 -11.204 -3.431 1.00 0.00 O ATOM 0 H ASP A 72 2.182 -13.797 -1.312 1.00 0.00 H new ATOM 0 HA ASP A 72 3.018 -11.384 -2.222 1.00 0.00 H new ATOM 0 HB2 ASP A 72 0.564 -12.203 -0.640 1.00 0.00 H new ATOM 0 HB3 ASP A 72 0.756 -10.562 -1.225 1.00 0.00 H new ATOM 1046 N ASN A 73 2.807 -11.321 1.079 1.00 0.00 N ATOM 1047 CA ASN A 73 3.242 -10.594 2.266 1.00 0.00 C ATOM 1048 C ASN A 73 4.754 -10.393 2.258 1.00 0.00 C ATOM 1049 O ASN A 73 5.444 -10.831 1.338 1.00 0.00 O ATOM 1050 CB ASN A 73 2.823 -11.344 3.532 1.00 0.00 C ATOM 1051 CG ASN A 73 3.580 -12.646 3.710 1.00 0.00 C ATOM 1052 OD1 ASN A 73 4.705 -12.793 3.231 1.00 0.00 O ATOM 1053 ND2 ASN A 73 2.965 -13.598 4.401 1.00 0.00 N ATOM 0 H ASN A 73 2.292 -12.179 1.275 1.00 0.00 H new ATOM 0 HA ASN A 73 2.763 -9.615 2.257 1.00 0.00 H new ATOM 0 HB2 ASN A 73 2.991 -10.707 4.401 1.00 0.00 H new ATOM 0 HB3 ASN A 73 1.754 -11.551 3.491 1.00 0.00 H new ATOM 0 HD21 ASN A 73 3.425 -14.496 4.553 1.00 0.00 H new ATOM 0 HD22 ASN A 73 2.033 -13.432 4.780 1.00 0.00 H new ATOM 1060 N GLY A 74 5.264 -9.729 3.291 1.00 0.00 N ATOM 1061 CA GLY A 74 6.691 -9.483 3.384 1.00 0.00 C ATOM 1062 C GLY A 74 7.012 -8.024 3.643 1.00 0.00 C ATOM 1063 O GLY A 74 6.846 -7.533 4.759 1.00 0.00 O ATOM 0 H GLY A 74 4.714 -9.357 4.065 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.110 -10.092 4.185 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.172 -9.799 2.458 1.00 0.00 H new ATOM 1067 N VAL A 75 7.476 -7.329 2.609 1.00 0.00 N ATOM 1068 CA VAL A 75 7.822 -5.918 2.729 1.00 0.00 C ATOM 1069 C VAL A 75 7.595 -5.182 1.414 1.00 0.00 C ATOM 1070 O VAL A 75 7.956 -5.674 0.345 1.00 0.00 O ATOM 1071 CB VAL A 75 9.289 -5.735 3.161 1.00 0.00 C ATOM 1072 CG1 VAL A 75 10.223 -6.450 2.196 1.00 0.00 C ATOM 1073 CG2 VAL A 75 9.636 -4.257 3.255 1.00 0.00 C ATOM 0 H VAL A 75 7.621 -7.721 1.678 1.00 0.00 H new ATOM 0 HA VAL A 75 7.170 -5.496 3.494 1.00 0.00 H new ATOM 0 HB VAL A 75 9.417 -6.178 4.149 1.00 0.00 H new ATOM 0 HG11 VAL A 75 11.255 -6.310 2.517 1.00 0.00 H new ATOM 0 HG12 VAL A 75 9.988 -7.514 2.184 1.00 0.00 H new ATOM 0 HG13 VAL A 75 10.096 -6.039 1.195 1.00 0.00 H new ATOM 0 HG21 VAL A 75 10.676 -4.146 3.561 1.00 0.00 H new ATOM 0 HG22 VAL A 75 9.492 -3.787 2.282 1.00 0.00 H new ATOM 0 HG23 VAL A 75 8.989 -3.777 3.989 1.00 0.00 H new ATOM 1083 N TYR A 76 6.994 -4.000 1.500 1.00 0.00 N ATOM 1084 CA TYR A 76 6.717 -3.196 0.316 1.00 0.00 C ATOM 1085 C TYR A 76 7.406 -1.838 0.406 1.00 0.00 C ATOM 1086 O TYR A 76 7.826 -1.413 1.482 1.00 0.00 O ATOM 1087 CB TYR A 76 5.209 -3.005 0.145 1.00 0.00 C ATOM 1088 CG TYR A 76 4.479 -4.271 -0.242 1.00 0.00 C ATOM 1089 CD1 TYR A 76 4.478 -5.380 0.595 1.00 0.00 C ATOM 1090 CD2 TYR A 76 3.790 -4.359 -1.446 1.00 0.00 C ATOM 1091 CE1 TYR A 76 3.813 -6.539 0.245 1.00 0.00 C ATOM 1092 CE2 TYR A 76 3.121 -5.513 -1.803 1.00 0.00 C ATOM 1093 CZ TYR A 76 3.135 -6.601 -0.955 1.00 0.00 C ATOM 1094 OH TYR A 76 2.471 -7.753 -1.308 1.00 0.00 O ATOM 0 H TYR A 76 6.690 -3.578 2.377 1.00 0.00 H new ATOM 0 HA TYR A 76 7.110 -3.726 -0.552 1.00 0.00 H new ATOM 0 HB2 TYR A 76 4.791 -2.625 1.077 1.00 0.00 H new ATOM 0 HB3 TYR A 76 5.031 -2.246 -0.617 1.00 0.00 H new ATOM 0 HD1 TYR A 76 5.006 -5.335 1.536 1.00 0.00 H new ATOM 0 HD2 TYR A 76 3.778 -3.510 -2.114 1.00 0.00 H new ATOM 0 HE1 TYR A 76 3.824 -7.392 0.907 1.00 0.00 H new ATOM 0 HE2 TYR A 76 2.589 -5.564 -2.742 1.00 0.00 H new ATOM 0 HH TYR A 76 2.770 -8.491 -0.736 1.00 0.00 H new ATOM 1104 N SER A 77 7.516 -1.161 -0.732 1.00 0.00 N ATOM 1105 CA SER A 77 8.157 0.148 -0.784 1.00 0.00 C ATOM 1106 C SER A 77 7.381 1.097 -1.694 1.00 0.00 C ATOM 1107 O SER A 77 6.776 0.673 -2.679 1.00 0.00 O ATOM 1108 CB SER A 77 9.598 0.015 -1.278 1.00 0.00 C ATOM 1109 OG SER A 77 10.330 -0.895 -0.477 1.00 0.00 O ATOM 0 H SER A 77 7.170 -1.497 -1.631 1.00 0.00 H new ATOM 0 HA SER A 77 8.163 0.562 0.224 1.00 0.00 H new ATOM 0 HB2 SER A 77 9.601 -0.324 -2.314 1.00 0.00 H new ATOM 0 HB3 SER A 77 10.083 0.991 -1.261 1.00 0.00 H new ATOM 0 HG SER A 77 11.247 -0.963 -0.815 1.00 0.00 H new ATOM 1115 N CYS A 78 7.403 2.381 -1.355 1.00 0.00 N ATOM 1116 CA CYS A 78 6.701 3.391 -2.139 1.00 0.00 C ATOM 1117 C CYS A 78 7.614 4.575 -2.441 1.00 0.00 C ATOM 1118 O CYS A 78 7.777 5.473 -1.615 1.00 0.00 O ATOM 1119 CB CYS A 78 5.454 3.869 -1.395 1.00 0.00 C ATOM 1120 SG CYS A 78 4.153 4.514 -2.472 1.00 0.00 S ATOM 0 H CYS A 78 7.899 2.747 -0.543 1.00 0.00 H new ATOM 0 HA CYS A 78 6.399 2.938 -3.083 1.00 0.00 H new ATOM 0 HB2 CYS A 78 5.051 3.040 -0.813 1.00 0.00 H new ATOM 0 HB3 CYS A 78 5.742 4.645 -0.686 1.00 0.00 H new ATOM 0 HG CYS A 78 3.347 3.550 -2.805 1.00 0.00 H new ATOM 1126 N VAL A 79 8.207 4.570 -3.631 1.00 0.00 N ATOM 1127 CA VAL A 79 9.104 5.644 -4.042 1.00 0.00 C ATOM 1128 C VAL A 79 8.336 6.768 -4.728 1.00 0.00 C ATOM 1129 O VAL A 79 7.438 6.519 -5.533 1.00 0.00 O ATOM 1130 CB VAL A 79 10.197 5.127 -4.996 1.00 0.00 C ATOM 1131 CG1 VAL A 79 11.345 6.121 -5.081 1.00 0.00 C ATOM 1132 CG2 VAL A 79 10.695 3.762 -4.546 1.00 0.00 C ATOM 0 H VAL A 79 8.082 3.835 -4.327 1.00 0.00 H new ATOM 0 HA VAL A 79 9.574 6.029 -3.137 1.00 0.00 H new ATOM 0 HB VAL A 79 9.766 5.021 -5.991 1.00 0.00 H new ATOM 0 HG11 VAL A 79 12.108 5.739 -5.759 1.00 0.00 H new ATOM 0 HG12 VAL A 79 10.973 7.075 -5.454 1.00 0.00 H new ATOM 0 HG13 VAL A 79 11.778 6.262 -4.091 1.00 0.00 H new ATOM 0 HG21 VAL A 79 11.467 3.412 -5.232 1.00 0.00 H new ATOM 0 HG22 VAL A 79 11.110 3.839 -3.541 1.00 0.00 H new ATOM 0 HG23 VAL A 79 9.865 3.055 -4.542 1.00 0.00 H new ATOM 1142 N CYS A 80 8.696 8.005 -4.405 1.00 0.00 N ATOM 1143 CA CYS A 80 8.041 9.170 -4.990 1.00 0.00 C ATOM 1144 C CYS A 80 9.001 9.937 -5.893 1.00 0.00 C ATOM 1145 O CYS A 80 8.793 10.029 -7.102 1.00 0.00 O ATOM 1146 CB CYS A 80 7.512 10.090 -3.889 1.00 0.00 C ATOM 1147 SG CYS A 80 6.630 11.544 -4.503 1.00 0.00 S ATOM 0 H CYS A 80 9.438 8.227 -3.741 1.00 0.00 H new ATOM 0 HA CYS A 80 7.204 8.820 -5.594 1.00 0.00 H new ATOM 0 HB2 CYS A 80 6.845 9.519 -3.243 1.00 0.00 H new ATOM 0 HB3 CYS A 80 8.348 10.419 -3.272 1.00 0.00 H new ATOM 0 HG CYS A 80 6.114 11.279 -5.666 1.00 0.00 H new ATOM 1153 N GLY A 81 10.053 10.489 -5.296 1.00 0.00 N ATOM 1154 CA GLY A 81 11.029 11.244 -6.061 1.00 0.00 C ATOM 1155 C GLY A 81 12.416 11.181 -5.454 1.00 0.00 C ATOM 1156 O GLY A 81 13.373 10.784 -6.118 1.00 0.00 O ATOM 0 H GLY A 81 10.247 10.427 -4.297 1.00 0.00 H new ATOM 0 HA2 GLY A 81 11.064 10.859 -7.080 1.00 0.00 H new ATOM 0 HA3 GLY A 81 10.710 12.284 -6.124 1.00 0.00 H new ATOM 1160 N GLN A 82 12.526 11.575 -4.189 1.00 0.00 N ATOM 1161 CA GLN A 82 13.807 11.564 -3.494 1.00 0.00 C ATOM 1162 C GLN A 82 13.752 10.663 -2.265 1.00 0.00 C ATOM 1163 O GLN A 82 14.739 10.018 -1.911 1.00 0.00 O ATOM 1164 CB GLN A 82 14.201 12.984 -3.083 1.00 0.00 C ATOM 1165 CG GLN A 82 15.629 13.095 -2.572 1.00 0.00 C ATOM 1166 CD GLN A 82 16.644 13.186 -3.694 1.00 0.00 C ATOM 1167 OE1 GLN A 82 17.223 12.180 -4.106 1.00 0.00 O ATOM 1168 NE2 GLN A 82 16.867 14.395 -4.195 1.00 0.00 N ATOM 0 H GLN A 82 11.743 11.906 -3.625 1.00 0.00 H new ATOM 0 HA GLN A 82 14.559 11.170 -4.178 1.00 0.00 H new ATOM 0 HB2 GLN A 82 14.077 13.648 -3.938 1.00 0.00 H new ATOM 0 HB3 GLN A 82 13.518 13.332 -2.308 1.00 0.00 H new ATOM 0 HG2 GLN A 82 15.716 13.976 -1.936 1.00 0.00 H new ATOM 0 HG3 GLN A 82 15.857 12.229 -1.950 1.00 0.00 H new ATOM 0 HE21 GLN A 82 16.365 15.201 -3.824 1.00 0.00 H new ATOM 0 HE22 GLN A 82 17.540 14.517 -4.951 1.00 0.00 H new ATOM 1177 N GLU A 83 12.591 10.623 -1.618 1.00 0.00 N ATOM 1178 CA GLU A 83 12.409 9.802 -0.427 1.00 0.00 C ATOM 1179 C GLU A 83 11.427 8.665 -0.696 1.00 0.00 C ATOM 1180 O GLU A 83 10.744 8.649 -1.720 1.00 0.00 O ATOM 1181 CB GLU A 83 11.908 10.658 0.738 1.00 0.00 C ATOM 1182 CG GLU A 83 12.424 12.086 0.710 1.00 0.00 C ATOM 1183 CD GLU A 83 13.922 12.170 0.933 1.00 0.00 C ATOM 1184 OE1 GLU A 83 14.343 12.249 2.106 1.00 0.00 O ATOM 1185 OE2 GLU A 83 14.673 12.157 -0.065 1.00 0.00 O ATOM 0 H GLU A 83 11.763 11.149 -1.899 1.00 0.00 H new ATOM 0 HA GLU A 83 13.375 9.371 -0.163 1.00 0.00 H new ATOM 0 HB2 GLU A 83 10.818 10.674 0.724 1.00 0.00 H new ATOM 0 HB3 GLU A 83 12.207 10.191 1.676 1.00 0.00 H new ATOM 0 HG2 GLU A 83 12.178 12.539 -0.251 1.00 0.00 H new ATOM 0 HG3 GLU A 83 11.913 12.668 1.477 1.00 0.00 H new ATOM 1192 N ARG A 84 11.362 7.715 0.232 1.00 0.00 N ATOM 1193 CA ARG A 84 10.465 6.574 0.095 1.00 0.00 C ATOM 1194 C ARG A 84 10.101 6.001 1.462 1.00 0.00 C ATOM 1195 O ARG A 84 10.725 6.331 2.471 1.00 0.00 O ATOM 1196 CB ARG A 84 11.114 5.489 -0.768 1.00 0.00 C ATOM 1197 CG ARG A 84 12.218 4.725 -0.056 1.00 0.00 C ATOM 1198 CD ARG A 84 13.572 5.388 -0.253 1.00 0.00 C ATOM 1199 NE ARG A 84 13.841 6.397 0.768 1.00 0.00 N ATOM 1200 CZ ARG A 84 14.225 6.106 2.006 1.00 0.00 C ATOM 1201 NH1 ARG A 84 14.385 4.843 2.374 1.00 0.00 N ATOM 1202 NH2 ARG A 84 14.450 7.081 2.878 1.00 0.00 N ATOM 0 H ARG A 84 11.920 7.713 1.086 1.00 0.00 H new ATOM 0 HA ARG A 84 9.552 6.918 -0.391 1.00 0.00 H new ATOM 0 HB2 ARG A 84 10.346 4.785 -1.090 1.00 0.00 H new ATOM 0 HB3 ARG A 84 11.523 5.949 -1.668 1.00 0.00 H new ATOM 0 HG2 ARG A 84 11.992 4.666 1.009 1.00 0.00 H new ATOM 0 HG3 ARG A 84 12.255 3.702 -0.431 1.00 0.00 H new ATOM 0 HD2 ARG A 84 14.354 4.629 -0.228 1.00 0.00 H new ATOM 0 HD3 ARG A 84 13.609 5.851 -1.239 1.00 0.00 H new ATOM 0 HE ARG A 84 13.728 7.379 0.517 1.00 0.00 H new ATOM 0 HH11 ARG A 84 14.213 4.092 1.706 1.00 0.00 H new ATOM 0 HH12 ARG A 84 14.680 4.622 3.325 1.00 0.00 H new ATOM 0 HH21 ARG A 84 14.328 8.054 2.598 1.00 0.00 H new ATOM 0 HH22 ARG A 84 14.745 6.857 3.828 1.00 0.00 H new ATOM 1216 N THR A 85 9.087 5.142 1.487 1.00 0.00 N ATOM 1217 CA THR A 85 8.638 4.526 2.729 1.00 0.00 C ATOM 1218 C THR A 85 8.342 3.044 2.531 1.00 0.00 C ATOM 1219 O THR A 85 7.803 2.641 1.500 1.00 0.00 O ATOM 1220 CB THR A 85 7.378 5.221 3.278 1.00 0.00 C ATOM 1221 OG1 THR A 85 6.912 4.538 4.448 1.00 0.00 O ATOM 1222 CG2 THR A 85 6.276 5.250 2.230 1.00 0.00 C ATOM 0 H THR A 85 8.561 4.857 0.661 1.00 0.00 H new ATOM 0 HA THR A 85 9.448 4.639 3.449 1.00 0.00 H new ATOM 0 HB THR A 85 7.640 6.247 3.536 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.335 5.136 4.968 1.00 0.00 H new ATOM 0 HG21 THR A 85 5.396 5.746 2.641 1.00 0.00 H new ATOM 0 HG22 THR A 85 6.623 5.795 1.352 1.00 0.00 H new ATOM 0 HG23 THR A 85 6.018 4.230 1.945 1.00 0.00 H new ATOM 1230 N SER A 86 8.697 2.236 3.525 1.00 0.00 N ATOM 1231 CA SER A 86 8.471 0.797 3.459 1.00 0.00 C ATOM 1232 C SER A 86 7.550 0.339 4.585 1.00 0.00 C ATOM 1233 O SER A 86 7.674 0.787 5.724 1.00 0.00 O ATOM 1234 CB SER A 86 9.802 0.047 3.536 1.00 0.00 C ATOM 1235 OG SER A 86 10.549 0.449 4.671 1.00 0.00 O ATOM 0 H SER A 86 9.142 2.554 4.386 1.00 0.00 H new ATOM 0 HA SER A 86 7.990 0.573 2.507 1.00 0.00 H new ATOM 0 HB2 SER A 86 9.616 -1.026 3.580 1.00 0.00 H new ATOM 0 HB3 SER A 86 10.381 0.233 2.631 1.00 0.00 H new ATOM 0 HG SER A 86 11.394 -0.046 4.698 1.00 0.00 H new ATOM 1241 N ALA A 87 6.625 -0.558 4.257 1.00 0.00 N ATOM 1242 CA ALA A 87 5.684 -1.079 5.240 1.00 0.00 C ATOM 1243 C ALA A 87 5.789 -2.596 5.351 1.00 0.00 C ATOM 1244 O ALA A 87 6.583 -3.227 4.651 1.00 0.00 O ATOM 1245 CB ALA A 87 4.263 -0.671 4.878 1.00 0.00 C ATOM 0 H ALA A 87 6.508 -0.939 3.318 1.00 0.00 H new ATOM 0 HA ALA A 87 5.937 -0.652 6.210 1.00 0.00 H new ATOM 0 HB1 ALA A 87 3.570 -1.067 5.621 1.00 0.00 H new ATOM 0 HB2 ALA A 87 4.191 0.416 4.858 1.00 0.00 H new ATOM 0 HB3 ALA A 87 4.009 -1.070 3.896 1.00 0.00 H new ATOM 1251 N THR A 88 4.984 -3.178 6.234 1.00 0.00 N ATOM 1252 CA THR A 88 4.988 -4.621 6.437 1.00 0.00 C ATOM 1253 C THR A 88 3.573 -5.186 6.395 1.00 0.00 C ATOM 1254 O THR A 88 2.709 -4.782 7.174 1.00 0.00 O ATOM 1255 CB THR A 88 5.639 -4.997 7.782 1.00 0.00 C ATOM 1256 OG1 THR A 88 6.939 -4.404 7.880 1.00 0.00 O ATOM 1257 CG2 THR A 88 5.753 -6.507 7.924 1.00 0.00 C ATOM 0 H THR A 88 4.321 -2.672 6.820 1.00 0.00 H new ATOM 0 HA THR A 88 5.573 -5.053 5.625 1.00 0.00 H new ATOM 0 HB THR A 88 5.006 -4.619 8.585 1.00 0.00 H new ATOM 0 HG1 THR A 88 7.345 -4.646 8.738 1.00 0.00 H new ATOM 0 HG21 THR A 88 6.215 -6.749 8.881 1.00 0.00 H new ATOM 0 HG22 THR A 88 4.759 -6.953 7.878 1.00 0.00 H new ATOM 0 HG23 THR A 88 6.366 -6.903 7.115 1.00 0.00 H new ATOM 1265 N LEU A 89 3.342 -6.123 5.482 1.00 0.00 N ATOM 1266 CA LEU A 89 2.030 -6.745 5.339 1.00 0.00 C ATOM 1267 C LEU A 89 2.016 -8.136 5.965 1.00 0.00 C ATOM 1268 O LEU A 89 2.939 -8.928 5.767 1.00 0.00 O ATOM 1269 CB LEU A 89 1.645 -6.834 3.861 1.00 0.00 C ATOM 1270 CG LEU A 89 0.293 -7.481 3.558 1.00 0.00 C ATOM 1271 CD1 LEU A 89 -0.842 -6.621 4.092 1.00 0.00 C ATOM 1272 CD2 LEU A 89 0.134 -7.709 2.062 1.00 0.00 C ATOM 0 H LEU A 89 4.046 -6.469 4.830 1.00 0.00 H new ATOM 0 HA LEU A 89 1.302 -6.125 5.861 1.00 0.00 H new ATOM 0 HB2 LEU A 89 1.645 -5.827 3.445 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.419 -7.395 3.338 1.00 0.00 H new ATOM 0 HG LEU A 89 0.255 -8.449 4.059 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.796 -7.097 3.867 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.737 -6.510 5.171 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.807 -5.639 3.621 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.834 -8.170 1.865 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.194 -6.754 1.540 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.928 -8.366 1.708 1.00 0.00 H new ATOM 1284 N THR A 90 0.962 -8.430 6.719 1.00 0.00 N ATOM 1285 CA THR A 90 0.826 -9.725 7.373 1.00 0.00 C ATOM 1286 C THR A 90 -0.365 -10.499 6.819 1.00 0.00 C ATOM 1287 O THR A 90 -1.515 -10.204 7.145 1.00 0.00 O ATOM 1288 CB THR A 90 0.660 -9.571 8.897 1.00 0.00 C ATOM 1289 OG1 THR A 90 1.768 -8.842 9.439 1.00 0.00 O ATOM 1290 CG2 THR A 90 0.563 -10.931 9.571 1.00 0.00 C ATOM 0 H THR A 90 0.189 -7.788 6.892 1.00 0.00 H new ATOM 0 HA THR A 90 1.742 -10.279 7.169 1.00 0.00 H new ATOM 0 HB THR A 90 -0.263 -9.023 9.086 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.654 -8.747 10.408 1.00 0.00 H new ATOM 0 HG21 THR A 90 0.446 -10.797 10.646 1.00 0.00 H new ATOM 0 HG22 THR A 90 -0.298 -11.472 9.177 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.471 -11.501 9.373 1.00 0.00 H new ATOM 1298 N VAL A 91 -0.082 -11.490 5.980 1.00 0.00 N ATOM 1299 CA VAL A 91 -1.131 -12.308 5.382 1.00 0.00 C ATOM 1300 C VAL A 91 -1.311 -13.615 6.146 1.00 0.00 C ATOM 1301 O VAL A 91 -0.395 -14.434 6.220 1.00 0.00 O ATOM 1302 CB VAL A 91 -0.822 -12.627 3.908 1.00 0.00 C ATOM 1303 CG1 VAL A 91 -1.810 -13.646 3.363 1.00 0.00 C ATOM 1304 CG2 VAL A 91 -0.840 -11.355 3.073 1.00 0.00 C ATOM 0 H VAL A 91 0.864 -11.746 5.699 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.053 -11.729 5.435 1.00 0.00 H new ATOM 0 HB VAL A 91 0.177 -13.059 3.850 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.575 -13.859 2.320 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.743 -14.565 3.945 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.821 -13.246 3.433 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -0.620 -11.599 2.034 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.825 -10.892 3.136 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -0.088 -10.661 3.450 1.00 0.00 H new ATOM 1314 N ARG A 92 -2.498 -13.803 6.713 1.00 0.00 N ATOM 1315 CA ARG A 92 -2.799 -15.011 7.473 1.00 0.00 C ATOM 1316 C ARG A 92 -3.132 -16.171 6.539 1.00 0.00 C ATOM 1317 O ARG A 92 -3.430 -15.968 5.363 1.00 0.00 O ATOM 1318 CB ARG A 92 -3.967 -14.760 8.428 1.00 0.00 C ATOM 1319 CG ARG A 92 -3.548 -14.144 9.753 1.00 0.00 C ATOM 1320 CD ARG A 92 -3.019 -15.196 10.715 1.00 0.00 C ATOM 1321 NE ARG A 92 -2.656 -14.622 12.008 1.00 0.00 N ATOM 1322 CZ ARG A 92 -1.884 -15.240 12.895 1.00 0.00 C ATOM 1323 NH1 ARG A 92 -1.396 -16.444 12.630 1.00 0.00 N ATOM 1324 NH2 ARG A 92 -1.599 -14.653 14.050 1.00 0.00 N ATOM 0 H ARG A 92 -3.267 -13.135 6.661 1.00 0.00 H new ATOM 0 HA ARG A 92 -1.915 -15.276 8.053 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -4.687 -14.102 7.942 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -4.477 -15.704 8.621 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -2.780 -13.390 9.578 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -4.399 -13.633 10.203 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -3.775 -15.967 10.860 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -2.148 -15.682 10.277 1.00 0.00 H new ATOM 0 HE ARG A 92 -3.015 -13.696 12.243 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -1.613 -16.898 11.743 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -0.804 -16.916 13.313 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -1.973 -13.727 14.257 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -1.006 -15.128 14.731 1.00 0.00 H new ATOM 1338 N ALA A 93 -3.078 -17.387 7.073 1.00 0.00 N ATOM 1339 CA ALA A 93 -3.375 -18.579 6.288 1.00 0.00 C ATOM 1340 C ALA A 93 -4.710 -19.190 6.702 1.00 0.00 C ATOM 1341 O ALA A 93 -4.896 -19.577 7.857 1.00 0.00 O ATOM 1342 CB ALA A 93 -2.257 -19.600 6.436 1.00 0.00 C ATOM 0 H ALA A 93 -2.832 -17.572 8.045 1.00 0.00 H new ATOM 0 HA ALA A 93 -3.448 -18.286 5.241 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -2.492 -20.485 5.845 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -1.320 -19.167 6.085 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -2.157 -19.880 7.485 1.00 0.00 H new ATOM 1348 N LEU A 94 -5.636 -19.274 5.754 1.00 0.00 N ATOM 1349 CA LEU A 94 -6.955 -19.837 6.020 1.00 0.00 C ATOM 1350 C LEU A 94 -6.839 -21.242 6.604 1.00 0.00 C ATOM 1351 O LEU A 94 -5.877 -21.968 6.353 1.00 0.00 O ATOM 1352 CB LEU A 94 -7.785 -19.874 4.735 1.00 0.00 C ATOM 1353 CG LEU A 94 -8.266 -18.522 4.208 1.00 0.00 C ATOM 1354 CD1 LEU A 94 -8.651 -18.628 2.741 1.00 0.00 C ATOM 1355 CD2 LEU A 94 -9.438 -18.013 5.034 1.00 0.00 C ATOM 0 H LEU A 94 -5.498 -18.959 4.794 1.00 0.00 H new ATOM 0 HA LEU A 94 -7.455 -19.199 6.749 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.192 -20.355 3.957 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -8.657 -20.505 4.907 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.448 -17.807 4.297 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.991 -17.656 2.383 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.786 -18.946 2.160 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -9.453 -19.357 2.627 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -9.767 -17.050 4.644 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -10.260 -18.727 4.978 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -9.128 -17.897 6.073 1.00 0.00 H new