USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 573 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 169:sc= -0.258 (180deg=-0.503) USER MOD Single : A 2 THR OG1 : rot -4:sc= 0.668 USER MOD Single : A 3 SER OG : rot 180:sc= 0.12 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 17 ASN : amide:sc= -0.135 K(o=-0.14,f=-9.4!) USER MOD Single : A 18 HIS : no HE2:sc= -0.309 K(o=-0.31,f=-1.1) USER MOD Single : A 21 GLN : amide:sc= -1.74! K(o=-1.7!,f=-0.038) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 30:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 175:sc= 0.546 (180deg=0.528) USER MOD Single : A 41 SER OG : rot -105:sc= 0.492 USER MOD Single : A 44 LYS NZ :NH3+ -114:sc= -0.0217 (180deg=-1.81) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 CYS SG : rot 66:sc= 0.686 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.0499 USER MOD Single : A 58 MET CE :methyl -159:sc= -0.18 (180deg=-0.813) USER MOD Single : A 62 SER OG : rot 180:sc= 0.0116 USER MOD Single : A 65 GLN : amide:sc= -0.165 K(o=-0.17,f=-2.7) USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 MET CE :methyl -157:sc= -0.246 (180deg=-1.07) USER MOD Single : A 69 LYS NZ :NH3+ 165:sc= -0.0488 (180deg=-0.339) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.674 -11.888 -14.818 1.00 0.00 N ATOM 2 CA MET A 1 -12.320 -11.102 -13.612 1.00 0.00 C ATOM 3 C MET A 1 -11.058 -11.637 -12.953 1.00 0.00 C ATOM 4 O MET A 1 -10.650 -11.166 -11.878 1.00 0.00 O ATOM 5 CB MET A 1 -13.478 -11.100 -12.598 1.00 0.00 C ATOM 6 CG MET A 1 -14.026 -12.473 -12.240 1.00 0.00 C ATOM 7 SD MET A 1 -12.926 -13.458 -11.201 1.00 0.00 S ATOM 8 CE MET A 1 -13.855 -14.988 -11.061 1.00 0.00 C ATOM 0 H1 MET A 1 -13.628 -11.624 -15.137 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.989 -11.690 -15.575 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.654 -12.902 -14.590 1.00 0.00 H new ATOM 0 HA MET A 1 -12.132 -10.078 -13.936 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.139 -10.612 -11.684 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.291 -10.495 -13.000 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.979 -12.349 -11.726 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.229 -13.023 -13.159 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.300 -15.696 -10.446 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.821 -14.786 -10.599 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.009 -15.412 -12.053 1.00 0.00 H new ATOM 20 N THR A 2 -10.414 -12.604 -13.582 1.00 0.00 N ATOM 21 CA THR A 2 -9.207 -13.198 -13.066 1.00 0.00 C ATOM 22 C THR A 2 -7.993 -12.724 -13.829 1.00 0.00 C ATOM 23 O THR A 2 -7.952 -12.806 -15.063 1.00 0.00 O ATOM 24 CB THR A 2 -9.291 -14.731 -13.115 1.00 0.00 C ATOM 25 OG1 THR A 2 -10.495 -15.177 -12.481 1.00 0.00 O ATOM 26 CG2 THR A 2 -8.079 -15.367 -12.426 1.00 0.00 C ATOM 0 H THR A 2 -10.721 -12.998 -14.471 1.00 0.00 H new ATOM 0 HA THR A 2 -9.104 -12.883 -12.028 1.00 0.00 H new ATOM 0 HB THR A 2 -9.296 -15.038 -14.161 1.00 0.00 H new ATOM 0 HG1 THR A 2 -10.970 -14.408 -12.102 1.00 0.00 H new ATOM 0 HG21 THR A 2 -8.162 -16.453 -12.474 1.00 0.00 H new ATOM 0 HG22 THR A 2 -7.166 -15.050 -12.930 1.00 0.00 H new ATOM 0 HG23 THR A 2 -8.046 -15.051 -11.383 1.00 0.00 H new ATOM 34 N SER A 3 -6.998 -12.224 -13.122 1.00 0.00 N ATOM 35 CA SER A 3 -5.765 -11.771 -13.738 1.00 0.00 C ATOM 36 C SER A 3 -4.638 -12.715 -13.302 1.00 0.00 C ATOM 37 O SER A 3 -4.893 -13.736 -12.667 1.00 0.00 O ATOM 38 CB SER A 3 -5.494 -10.326 -13.307 1.00 0.00 C ATOM 39 OG SER A 3 -4.474 -9.737 -14.117 1.00 0.00 O ATOM 0 H SER A 3 -7.021 -12.120 -12.108 1.00 0.00 H new ATOM 0 HA SER A 3 -5.833 -11.788 -14.826 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.410 -9.741 -13.385 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.191 -10.305 -12.260 1.00 0.00 H new ATOM 0 HG SER A 3 -4.318 -8.814 -13.826 1.00 0.00 H new ATOM 45 N VAL A 4 -3.398 -12.349 -13.631 1.00 0.00 N ATOM 46 CA VAL A 4 -2.268 -13.240 -13.378 1.00 0.00 C ATOM 47 C VAL A 4 -1.690 -13.069 -11.977 1.00 0.00 C ATOM 48 O VAL A 4 -1.182 -14.024 -11.397 1.00 0.00 O ATOM 49 CB VAL A 4 -1.159 -13.047 -14.434 1.00 0.00 C ATOM 50 CG1 VAL A 4 -1.632 -13.463 -15.811 1.00 0.00 C ATOM 51 CG2 VAL A 4 -0.654 -11.600 -14.453 1.00 0.00 C ATOM 0 H VAL A 4 -3.154 -11.459 -14.065 1.00 0.00 H new ATOM 0 HA VAL A 4 -2.657 -14.256 -13.451 1.00 0.00 H new ATOM 0 HB VAL A 4 -0.327 -13.693 -14.152 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -0.828 -13.315 -16.532 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -1.916 -14.515 -15.796 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -2.493 -12.859 -16.098 1.00 0.00 H new ATOM 0 HG21 VAL A 4 0.126 -11.497 -15.207 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -1.480 -10.930 -14.691 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -0.249 -11.343 -13.474 1.00 0.00 H new ATOM 61 N PHE A 5 -1.787 -11.860 -11.438 1.00 0.00 N ATOM 62 CA PHE A 5 -1.214 -11.574 -10.108 1.00 0.00 C ATOM 63 C PHE A 5 -2.161 -10.676 -9.317 1.00 0.00 C ATOM 64 O PHE A 5 -1.797 -10.162 -8.244 1.00 0.00 O ATOM 65 CB PHE A 5 0.166 -10.938 -10.269 1.00 0.00 C ATOM 66 CG PHE A 5 0.912 -10.736 -8.976 1.00 0.00 C ATOM 67 CD1 PHE A 5 1.456 -11.821 -8.291 1.00 0.00 C ATOM 68 CD2 PHE A 5 1.071 -9.468 -8.433 1.00 0.00 C ATOM 69 CE1 PHE A 5 2.139 -11.646 -7.101 1.00 0.00 C ATOM 70 CE2 PHE A 5 1.741 -9.288 -7.246 1.00 0.00 C ATOM 71 CZ PHE A 5 2.285 -10.374 -6.577 1.00 0.00 C ATOM 0 H PHE A 5 -2.247 -11.067 -11.884 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.093 -12.502 -9.549 1.00 0.00 H new ATOM 0 HB2 PHE A 5 0.767 -11.565 -10.927 1.00 0.00 H new ATOM 0 HB3 PHE A 5 0.053 -9.973 -10.764 1.00 0.00 H new ATOM 0 HD1 PHE A 5 1.342 -12.816 -8.696 1.00 0.00 H new ATOM 0 HD2 PHE A 5 0.663 -8.612 -8.950 1.00 0.00 H new ATOM 0 HE1 PHE A 5 2.556 -12.498 -6.584 1.00 0.00 H new ATOM 0 HE2 PHE A 5 1.844 -8.296 -6.832 1.00 0.00 H new ATOM 0 HZ PHE A 5 2.820 -10.227 -5.651 1.00 0.00 H new ATOM 81 N ASP A 6 -3.379 -10.504 -9.796 1.00 0.00 N ATOM 82 CA ASP A 6 -4.332 -9.613 -9.148 1.00 0.00 C ATOM 83 C ASP A 6 -5.015 -10.296 -7.971 1.00 0.00 C ATOM 84 O ASP A 6 -6.084 -10.900 -8.107 1.00 0.00 O ATOM 85 CB ASP A 6 -5.360 -9.078 -10.136 1.00 0.00 C ATOM 86 CG ASP A 6 -6.376 -8.185 -9.451 1.00 0.00 C ATOM 87 OD1 ASP A 6 -5.998 -7.077 -9.010 1.00 0.00 O ATOM 88 OD2 ASP A 6 -7.549 -8.586 -9.320 1.00 0.00 O ATOM 0 H ASP A 6 -3.735 -10.968 -10.632 1.00 0.00 H new ATOM 0 HA ASP A 6 -3.769 -8.763 -8.763 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -4.854 -8.518 -10.922 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -5.872 -9.911 -10.617 1.00 0.00 H new ATOM 93 N ARG A 7 -4.370 -10.222 -6.828 1.00 0.00 N ATOM 94 CA ARG A 7 -4.956 -10.667 -5.569 1.00 0.00 C ATOM 95 C ARG A 7 -4.692 -9.617 -4.508 1.00 0.00 C ATOM 96 O ARG A 7 -5.625 -9.063 -3.911 1.00 0.00 O ATOM 97 CB ARG A 7 -4.382 -12.021 -5.138 1.00 0.00 C ATOM 98 CG ARG A 7 -4.820 -12.459 -3.732 1.00 0.00 C ATOM 99 CD ARG A 7 -6.334 -12.509 -3.603 1.00 0.00 C ATOM 100 NE ARG A 7 -6.748 -12.498 -2.198 1.00 0.00 N ATOM 101 CZ ARG A 7 -7.415 -11.500 -1.642 1.00 0.00 C ATOM 102 NH1 ARG A 7 -7.826 -10.470 -2.347 1.00 0.00 N ATOM 103 NH2 ARG A 7 -7.689 -11.526 -0.329 1.00 0.00 N ATOM 0 H ARG A 7 -3.424 -9.852 -6.738 1.00 0.00 H new ATOM 0 HA ARG A 7 -6.030 -10.796 -5.702 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -4.688 -12.781 -5.857 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -3.294 -11.971 -5.171 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -4.404 -13.442 -3.511 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -4.415 -11.768 -2.993 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -6.774 -11.657 -4.121 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -6.713 -13.408 -4.089 1.00 0.00 H new ATOM 0 HE ARG A 7 -6.509 -13.302 -1.618 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -7.633 -10.427 -3.348 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -8.339 -9.714 -1.894 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -7.383 -12.315 0.240 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -8.203 -10.757 0.100 1.00 0.00 H new ATOM 117 N ASP A 8 -3.412 -9.326 -4.278 1.00 0.00 N ATOM 118 CA ASP A 8 -3.009 -8.291 -3.342 1.00 0.00 C ATOM 119 C ASP A 8 -2.104 -7.315 -4.089 1.00 0.00 C ATOM 120 O ASP A 8 -1.186 -6.724 -3.526 1.00 0.00 O ATOM 121 CB ASP A 8 -2.282 -8.891 -2.141 1.00 0.00 C ATOM 122 CG ASP A 8 -2.077 -7.878 -1.023 1.00 0.00 C ATOM 123 OD1 ASP A 8 -3.040 -7.162 -0.667 1.00 0.00 O ATOM 124 OD2 ASP A 8 -0.943 -7.802 -0.500 1.00 0.00 O ATOM 0 H ASP A 8 -2.634 -9.801 -4.735 1.00 0.00 H new ATOM 0 HA ASP A 8 -3.888 -7.774 -2.957 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -2.852 -9.738 -1.760 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -1.314 -9.276 -2.461 1.00 0.00 H new ATOM 129 N ASP A 9 -2.384 -7.185 -5.380 1.00 0.00 N ATOM 130 CA ASP A 9 -1.637 -6.241 -6.220 1.00 0.00 C ATOM 131 C ASP A 9 -2.051 -4.823 -5.883 1.00 0.00 C ATOM 132 O ASP A 9 -1.262 -3.884 -5.973 1.00 0.00 O ATOM 133 CB ASP A 9 -1.873 -6.529 -7.709 1.00 0.00 C ATOM 134 CG ASP A 9 -1.349 -5.425 -8.610 1.00 0.00 C ATOM 135 OD1 ASP A 9 -0.110 -5.315 -8.759 1.00 0.00 O ATOM 136 OD2 ASP A 9 -2.169 -4.670 -9.175 1.00 0.00 O ATOM 0 H ASP A 9 -3.110 -7.710 -5.868 1.00 0.00 H new ATOM 0 HA ASP A 9 -0.572 -6.361 -6.020 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -1.389 -7.469 -7.974 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -2.941 -6.660 -7.885 1.00 0.00 H new ATOM 141 N ILE A 10 -3.326 -4.670 -5.542 1.00 0.00 N ATOM 142 CA ILE A 10 -3.840 -3.404 -5.026 1.00 0.00 C ATOM 143 C ILE A 10 -2.939 -2.845 -3.916 1.00 0.00 C ATOM 144 O ILE A 10 -2.816 -3.434 -2.841 1.00 0.00 O ATOM 145 CB ILE A 10 -5.296 -3.552 -4.521 1.00 0.00 C ATOM 146 CG1 ILE A 10 -5.744 -2.286 -3.783 1.00 0.00 C ATOM 147 CG2 ILE A 10 -5.442 -4.776 -3.625 1.00 0.00 C ATOM 148 CD1 ILE A 10 -7.181 -2.324 -3.315 1.00 0.00 C ATOM 0 H ILE A 10 -4.025 -5.409 -5.614 1.00 0.00 H new ATOM 0 HA ILE A 10 -3.838 -2.694 -5.853 1.00 0.00 H new ATOM 0 HB ILE A 10 -5.941 -3.690 -5.389 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -5.096 -2.132 -2.921 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -5.609 -1.427 -4.441 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -6.474 -4.856 -3.284 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -5.174 -5.671 -4.186 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -4.782 -4.677 -2.763 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -7.421 -1.393 -2.802 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -7.840 -2.446 -4.174 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -7.319 -3.161 -2.631 1.00 0.00 H new ATOM 160 N GLN A 11 -2.301 -1.735 -4.206 1.00 0.00 N ATOM 161 CA GLN A 11 -1.369 -1.122 -3.283 1.00 0.00 C ATOM 162 C GLN A 11 -2.055 -0.089 -2.416 1.00 0.00 C ATOM 163 O GLN A 11 -3.148 0.387 -2.749 1.00 0.00 O ATOM 164 CB GLN A 11 -0.204 -0.477 -4.043 1.00 0.00 C ATOM 165 CG GLN A 11 0.660 -1.474 -4.792 1.00 0.00 C ATOM 166 CD GLN A 11 1.658 -0.791 -5.715 1.00 0.00 C ATOM 167 OE1 GLN A 11 2.789 -0.526 -5.342 1.00 0.00 O ATOM 168 NE2 GLN A 11 1.235 -0.489 -6.931 1.00 0.00 N ATOM 0 H GLN A 11 -2.412 -1.231 -5.086 1.00 0.00 H new ATOM 0 HA GLN A 11 -0.979 -1.908 -2.636 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -0.602 0.250 -4.751 1.00 0.00 H new ATOM 0 HB3 GLN A 11 0.419 0.073 -3.337 1.00 0.00 H new ATOM 0 HG2 GLN A 11 1.197 -2.097 -4.076 1.00 0.00 H new ATOM 0 HG3 GLN A 11 0.023 -2.138 -5.376 1.00 0.00 H new ATOM 0 HE21 GLN A 11 0.283 -0.724 -7.213 1.00 0.00 H new ATOM 0 HE22 GLN A 11 1.860 -0.021 -7.587 1.00 0.00 H new ATOM 177 N PHE A 12 -1.415 0.257 -1.309 1.00 0.00 N ATOM 178 CA PHE A 12 -1.965 1.204 -0.350 1.00 0.00 C ATOM 179 C PHE A 12 -0.897 2.198 0.089 1.00 0.00 C ATOM 180 O PHE A 12 0.258 2.148 -0.351 1.00 0.00 O ATOM 181 CB PHE A 12 -2.517 0.482 0.887 1.00 0.00 C ATOM 182 CG PHE A 12 -3.673 -0.447 0.604 1.00 0.00 C ATOM 183 CD1 PHE A 12 -3.418 -1.758 0.254 1.00 0.00 C ATOM 184 CD2 PHE A 12 -4.982 -0.020 0.694 1.00 0.00 C ATOM 185 CE1 PHE A 12 -4.465 -2.635 -0.005 1.00 0.00 C ATOM 186 CE2 PHE A 12 -6.035 -0.883 0.434 1.00 0.00 C ATOM 187 CZ PHE A 12 -5.770 -2.196 0.085 1.00 0.00 C ATOM 0 H PHE A 12 -0.500 -0.111 -1.050 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.780 1.735 -0.843 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -1.712 -0.090 1.348 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -2.836 1.228 1.615 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -2.398 -2.105 0.181 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -5.189 1.003 0.971 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -4.257 -3.659 -0.277 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -7.055 -0.534 0.503 1.00 0.00 H new ATOM 0 HZ PHE A 12 -6.584 -2.876 -0.117 1.00 0.00 H new ATOM 197 N GLN A 13 -1.295 3.097 0.958 1.00 0.00 N ATOM 198 CA GLN A 13 -0.407 4.082 1.539 1.00 0.00 C ATOM 199 C GLN A 13 -0.916 4.435 2.909 1.00 0.00 C ATOM 200 O GLN A 13 -2.097 4.191 3.219 1.00 0.00 O ATOM 201 CB GLN A 13 -0.300 5.332 0.646 1.00 0.00 C ATOM 202 CG GLN A 13 -1.643 5.965 0.313 1.00 0.00 C ATOM 203 CD GLN A 13 -1.527 7.096 -0.692 1.00 0.00 C ATOM 204 OE1 GLN A 13 -0.525 7.830 -0.728 1.00 0.00 O ATOM 205 NE2 GLN A 13 -2.551 7.256 -1.513 1.00 0.00 N ATOM 0 H GLN A 13 -2.258 3.168 1.287 1.00 0.00 H new ATOM 0 HA GLN A 13 0.597 3.665 1.619 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.326 6.071 1.145 1.00 0.00 H new ATOM 0 HB3 GLN A 13 0.204 5.062 -0.282 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -2.312 5.201 -0.083 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -2.098 6.344 1.228 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -3.356 6.632 -1.452 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -2.536 8.003 -2.207 1.00 0.00 H new ATOM 214 N VAL A 14 -0.072 4.997 3.753 1.00 0.00 N ATOM 215 CA VAL A 14 -0.478 5.368 5.081 1.00 0.00 C ATOM 216 C VAL A 14 -0.999 6.794 5.065 1.00 0.00 C ATOM 217 O VAL A 14 -0.315 7.696 4.604 1.00 0.00 O ATOM 218 CB VAL A 14 0.668 5.251 6.116 1.00 0.00 C ATOM 219 CG1 VAL A 14 0.183 5.621 7.502 1.00 0.00 C ATOM 220 CG2 VAL A 14 1.249 3.845 6.083 1.00 0.00 C ATOM 0 H VAL A 14 0.902 5.205 3.534 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.259 4.672 5.387 1.00 0.00 H new ATOM 0 HB VAL A 14 1.458 5.955 5.854 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.006 5.531 8.211 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.182 6.648 7.498 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.624 4.950 7.796 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.055 3.767 6.813 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.469 3.123 6.325 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.640 3.636 5.087 1.00 0.00 H new ATOM 230 N VAL A 15 -2.210 6.997 5.543 1.00 0.00 N ATOM 231 CA VAL A 15 -2.794 8.325 5.570 1.00 0.00 C ATOM 232 C VAL A 15 -3.238 8.662 6.991 1.00 0.00 C ATOM 233 O VAL A 15 -3.472 7.768 7.809 1.00 0.00 O ATOM 234 CB VAL A 15 -3.994 8.460 4.618 1.00 0.00 C ATOM 235 CG1 VAL A 15 -3.532 8.355 3.157 1.00 0.00 C ATOM 236 CG2 VAL A 15 -5.044 7.403 4.911 1.00 0.00 C ATOM 0 H VAL A 15 -2.809 6.261 5.918 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.026 9.022 5.233 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.442 9.441 4.778 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.393 8.452 2.495 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.818 9.150 2.943 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.057 7.388 2.994 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.881 7.522 4.223 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -4.608 6.412 4.784 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.397 7.516 5.936 1.00 0.00 H new ATOM 246 N VAL A 16 -3.353 9.944 7.257 1.00 0.00 N ATOM 247 CA VAL A 16 -3.775 10.415 8.559 1.00 0.00 C ATOM 248 C VAL A 16 -4.792 11.566 8.385 1.00 0.00 C ATOM 249 O VAL A 16 -4.621 12.431 7.529 1.00 0.00 O ATOM 250 CB VAL A 16 -2.543 10.871 9.402 1.00 0.00 C ATOM 251 CG1 VAL A 16 -1.703 11.869 8.632 1.00 0.00 C ATOM 252 CG2 VAL A 16 -2.976 11.433 10.736 1.00 0.00 C ATOM 0 H VAL A 16 -3.159 10.685 6.584 1.00 0.00 H new ATOM 0 HA VAL A 16 -4.259 9.601 9.099 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.925 9.995 9.598 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.850 12.172 9.240 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -1.347 11.410 7.710 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -2.307 12.744 8.392 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -2.098 11.743 11.303 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.626 12.293 10.575 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -3.517 10.669 11.294 1.00 0.00 H new ATOM 262 N ASN A 17 -5.849 11.528 9.172 1.00 0.00 N ATOM 263 CA ASN A 17 -6.961 12.475 9.015 1.00 0.00 C ATOM 264 C ASN A 17 -6.837 13.622 10.014 1.00 0.00 C ATOM 265 O ASN A 17 -5.795 13.795 10.648 1.00 0.00 O ATOM 266 CB ASN A 17 -8.299 11.746 9.224 1.00 0.00 C ATOM 267 CG ASN A 17 -8.548 11.284 10.645 1.00 0.00 C ATOM 268 OD1 ASN A 17 -7.622 11.046 11.397 1.00 0.00 O ATOM 269 ND2 ASN A 17 -9.829 11.150 11.002 1.00 0.00 N ATOM 0 H ASN A 17 -5.971 10.856 9.929 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.925 12.887 8.007 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -9.110 12.409 8.924 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -8.334 10.880 8.563 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -10.066 10.835 11.943 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -10.570 11.363 10.334 1.00 0.00 H new ATOM 276 N HIS A 18 -7.905 14.414 10.144 1.00 0.00 N ATOM 277 CA HIS A 18 -7.900 15.549 11.068 1.00 0.00 C ATOM 278 C HIS A 18 -7.805 15.085 12.519 1.00 0.00 C ATOM 279 O HIS A 18 -7.228 15.776 13.354 1.00 0.00 O ATOM 280 CB HIS A 18 -9.173 16.387 10.909 1.00 0.00 C ATOM 281 CG HIS A 18 -9.153 17.266 9.699 1.00 0.00 C ATOM 282 ND1 HIS A 18 -8.416 18.428 9.620 1.00 0.00 N ATOM 283 CD2 HIS A 18 -9.773 17.142 8.505 1.00 0.00 C ATOM 284 CE1 HIS A 18 -8.581 18.982 8.435 1.00 0.00 C ATOM 285 NE2 HIS A 18 -9.410 18.218 7.742 1.00 0.00 N ATOM 0 H HIS A 18 -8.775 14.292 9.626 1.00 0.00 H new ATOM 0 HA HIS A 18 -7.026 16.152 10.824 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -10.034 15.721 10.852 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -9.307 17.005 11.797 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -7.831 18.803 10.366 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -10.434 16.341 8.208 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -8.121 19.897 8.091 1.00 0.00 H new ATOM 294 N GLU A 19 -8.333 13.888 12.789 1.00 0.00 N ATOM 295 CA GLU A 19 -8.299 13.324 14.132 1.00 0.00 C ATOM 296 C GLU A 19 -6.941 12.661 14.418 1.00 0.00 C ATOM 297 O GLU A 19 -6.752 11.997 15.439 1.00 0.00 O ATOM 298 CB GLU A 19 -9.432 12.311 14.267 1.00 0.00 C ATOM 299 CG GLU A 19 -9.701 11.851 15.691 1.00 0.00 C ATOM 300 CD GLU A 19 -10.889 10.946 15.792 1.00 0.00 C ATOM 301 OE1 GLU A 19 -10.779 9.750 15.438 1.00 0.00 O ATOM 302 OE2 GLU A 19 -11.964 11.408 16.225 1.00 0.00 O ATOM 0 H GLU A 19 -8.787 13.295 12.094 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.431 14.122 14.862 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -10.344 12.749 13.862 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -9.198 11.440 13.655 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -8.821 11.333 16.073 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -9.859 12.723 16.326 1.00 0.00 H new ATOM 309 N GLU A 20 -5.984 12.876 13.499 1.00 0.00 N ATOM 310 CA GLU A 20 -4.629 12.356 13.644 1.00 0.00 C ATOM 311 C GLU A 20 -4.625 10.819 13.740 1.00 0.00 C ATOM 312 O GLU A 20 -3.714 10.218 14.304 1.00 0.00 O ATOM 313 CB GLU A 20 -3.937 12.974 14.872 1.00 0.00 C ATOM 314 CG GLU A 20 -2.422 12.885 14.849 1.00 0.00 C ATOM 315 CD GLU A 20 -1.768 13.586 16.005 1.00 0.00 C ATOM 316 OE1 GLU A 20 -1.556 14.810 15.901 1.00 0.00 O ATOM 317 OE2 GLU A 20 -1.466 12.935 17.030 1.00 0.00 O ATOM 0 H GLU A 20 -6.134 13.412 12.644 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.070 12.637 12.752 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -4.226 14.022 14.948 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -4.304 12.477 15.770 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.127 11.836 14.855 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.054 13.314 13.917 1.00 0.00 H new ATOM 324 N GLN A 21 -5.631 10.218 13.152 1.00 0.00 N ATOM 325 CA GLN A 21 -5.776 8.782 13.144 1.00 0.00 C ATOM 326 C GLN A 21 -4.966 8.184 11.996 1.00 0.00 C ATOM 327 O GLN A 21 -5.044 8.657 10.871 1.00 0.00 O ATOM 328 CB GLN A 21 -7.250 8.409 12.996 1.00 0.00 C ATOM 329 CG GLN A 21 -7.507 6.920 13.001 1.00 0.00 C ATOM 330 CD GLN A 21 -8.960 6.594 12.736 1.00 0.00 C ATOM 331 OE1 GLN A 21 -9.505 5.593 13.218 1.00 0.00 O ATOM 332 NE2 GLN A 21 -9.610 7.445 11.964 1.00 0.00 N ATOM 0 H GLN A 21 -6.376 10.714 12.663 1.00 0.00 H new ATOM 0 HA GLN A 21 -5.403 8.381 14.086 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -7.814 8.868 13.808 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -7.630 8.830 12.065 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -6.885 6.442 12.244 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -7.212 6.505 13.965 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -9.128 8.260 11.584 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -10.594 7.288 11.747 1.00 0.00 H new ATOM 341 N TYR A 22 -4.190 7.144 12.304 1.00 0.00 N ATOM 342 CA TYR A 22 -3.386 6.480 11.292 1.00 0.00 C ATOM 343 C TYR A 22 -4.236 5.412 10.600 1.00 0.00 C ATOM 344 O TYR A 22 -4.784 4.530 11.243 1.00 0.00 O ATOM 345 CB TYR A 22 -2.143 5.826 11.925 1.00 0.00 C ATOM 346 CG TYR A 22 -1.216 6.773 12.611 1.00 0.00 C ATOM 347 CD1 TYR A 22 -0.440 7.673 11.884 1.00 0.00 C ATOM 348 CD2 TYR A 22 -1.088 6.773 13.988 1.00 0.00 C ATOM 349 CE1 TYR A 22 0.433 8.552 12.527 1.00 0.00 C ATOM 350 CE2 TYR A 22 -0.210 7.640 14.628 1.00 0.00 C ATOM 351 CZ TYR A 22 0.533 8.519 13.886 1.00 0.00 C ATOM 352 OH TYR A 22 1.405 9.365 14.539 1.00 0.00 O ATOM 0 H TYR A 22 -4.105 6.750 13.241 1.00 0.00 H new ATOM 0 HA TYR A 22 -3.051 7.219 10.564 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -2.472 5.076 12.645 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.591 5.300 11.146 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.515 7.691 10.807 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -1.680 6.088 14.576 1.00 0.00 H new ATOM 0 HE1 TYR A 22 1.023 9.251 11.953 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -0.114 7.621 15.704 1.00 0.00 H new ATOM 0 HH TYR A 22 1.349 9.210 15.505 1.00 0.00 H new ATOM 362 N SER A 23 -4.353 5.515 9.285 1.00 0.00 N ATOM 363 CA SER A 23 -5.137 4.563 8.513 1.00 0.00 C ATOM 364 C SER A 23 -4.451 4.279 7.178 1.00 0.00 C ATOM 365 O SER A 23 -3.419 4.879 6.868 1.00 0.00 O ATOM 366 CB SER A 23 -6.553 5.111 8.279 1.00 0.00 C ATOM 367 OG SER A 23 -7.238 5.292 9.515 1.00 0.00 O ATOM 0 H SER A 23 -3.914 6.249 8.729 1.00 0.00 H new ATOM 0 HA SER A 23 -5.212 3.631 9.073 1.00 0.00 H new ATOM 0 HB2 SER A 23 -6.497 6.061 7.747 1.00 0.00 H new ATOM 0 HB3 SER A 23 -7.113 4.424 7.645 1.00 0.00 H new ATOM 0 HG SER A 23 -8.137 5.643 9.343 1.00 0.00 H new ATOM 373 N ILE A 24 -5.026 3.370 6.381 1.00 0.00 N ATOM 374 CA ILE A 24 -4.456 3.036 5.089 1.00 0.00 C ATOM 375 C ILE A 24 -5.420 3.417 3.972 1.00 0.00 C ATOM 376 O ILE A 24 -6.647 3.359 4.151 1.00 0.00 O ATOM 377 CB ILE A 24 -4.078 1.542 4.978 1.00 0.00 C ATOM 378 CG1 ILE A 24 -5.319 0.646 5.143 1.00 0.00 C ATOM 379 CG2 ILE A 24 -3.018 1.179 5.998 1.00 0.00 C ATOM 380 CD1 ILE A 24 -5.039 -0.827 4.936 1.00 0.00 C ATOM 0 H ILE A 24 -5.879 2.861 6.614 1.00 0.00 H new ATOM 0 HA ILE A 24 -3.535 3.610 4.988 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.668 1.372 3.983 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.731 0.791 6.142 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -6.083 0.965 4.434 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.767 0.123 5.902 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -2.126 1.781 5.826 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.397 1.372 7.001 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.960 -1.395 5.068 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.656 -0.986 3.928 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.299 -1.162 5.662 1.00 0.00 H new ATOM 392 N TRP A 25 -4.878 3.853 2.853 1.00 0.00 N ATOM 393 CA TRP A 25 -5.676 4.228 1.706 1.00 0.00 C ATOM 394 C TRP A 25 -5.013 3.701 0.436 1.00 0.00 C ATOM 395 O TRP A 25 -3.800 3.844 0.282 1.00 0.00 O ATOM 396 CB TRP A 25 -5.841 5.742 1.652 1.00 0.00 C ATOM 397 CG TRP A 25 -6.758 6.226 0.556 1.00 0.00 C ATOM 398 CD1 TRP A 25 -6.393 6.880 -0.586 1.00 0.00 C ATOM 399 CD2 TRP A 25 -8.183 6.111 0.513 1.00 0.00 C ATOM 400 NE1 TRP A 25 -7.508 7.160 -1.340 1.00 0.00 N ATOM 401 CE2 TRP A 25 -8.612 6.696 -0.683 1.00 0.00 C ATOM 402 CE3 TRP A 25 -9.141 5.543 1.357 1.00 0.00 C ATOM 403 CZ2 TRP A 25 -9.965 6.747 -1.061 1.00 0.00 C ATOM 404 CZ3 TRP A 25 -10.469 5.579 0.998 1.00 0.00 C ATOM 405 CH2 TRP A 25 -10.870 6.192 -0.207 1.00 0.00 C ATOM 0 H TRP A 25 -3.873 3.957 2.714 1.00 0.00 H new ATOM 0 HA TRP A 25 -6.669 3.788 1.790 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -6.225 6.089 2.611 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -4.860 6.198 1.518 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -5.380 7.139 -0.856 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -7.510 7.636 -2.242 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -8.841 5.079 2.285 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -10.274 7.206 -1.988 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -11.211 5.134 1.645 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -11.920 6.222 -0.459 1.00 0.00 H new ATOM 416 N PRO A 26 -5.768 3.065 -0.462 1.00 0.00 N ATOM 417 CA PRO A 26 -5.226 2.564 -1.724 1.00 0.00 C ATOM 418 C PRO A 26 -4.449 3.636 -2.513 1.00 0.00 C ATOM 419 O PRO A 26 -4.870 4.775 -2.613 1.00 0.00 O ATOM 420 CB PRO A 26 -6.477 2.107 -2.501 1.00 0.00 C ATOM 421 CG PRO A 26 -7.653 2.623 -1.738 1.00 0.00 C ATOM 422 CD PRO A 26 -7.197 2.786 -0.322 1.00 0.00 C ATOM 0 HA PRO A 26 -4.499 1.768 -1.560 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -6.469 2.501 -3.517 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -6.511 1.020 -2.580 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -7.996 3.573 -2.148 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -8.491 1.929 -1.799 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -7.720 3.601 0.178 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -7.376 1.885 0.265 1.00 0.00 H new ATOM 430 N GLU A 27 -3.318 3.238 -3.084 1.00 0.00 N ATOM 431 CA GLU A 27 -2.412 4.172 -3.725 1.00 0.00 C ATOM 432 C GLU A 27 -3.013 4.766 -5.001 1.00 0.00 C ATOM 433 O GLU A 27 -2.796 5.945 -5.313 1.00 0.00 O ATOM 434 CB GLU A 27 -1.085 3.485 -4.029 1.00 0.00 C ATOM 435 CG GLU A 27 -0.056 4.408 -4.669 1.00 0.00 C ATOM 436 CD GLU A 27 1.230 3.692 -5.042 1.00 0.00 C ATOM 437 OE1 GLU A 27 1.278 3.119 -6.131 1.00 0.00 O ATOM 438 OE2 GLU A 27 2.191 3.727 -4.245 1.00 0.00 O ATOM 0 H GLU A 27 -3.009 2.266 -3.114 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.240 4.997 -3.034 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.674 3.081 -3.104 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.266 2.640 -4.693 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.487 4.860 -5.563 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.174 5.221 -3.980 1.00 0.00 H new ATOM 445 N TYR A 28 -3.733 3.947 -5.743 1.00 0.00 N ATOM 446 CA TYR A 28 -4.301 4.369 -7.022 1.00 0.00 C ATOM 447 C TYR A 28 -5.456 5.362 -6.822 1.00 0.00 C ATOM 448 O TYR A 28 -5.815 6.082 -7.748 1.00 0.00 O ATOM 449 CB TYR A 28 -4.768 3.145 -7.819 1.00 0.00 C ATOM 450 CG TYR A 28 -5.862 2.323 -7.156 1.00 0.00 C ATOM 451 CD1 TYR A 28 -5.537 1.351 -6.221 1.00 0.00 C ATOM 452 CD2 TYR A 28 -7.199 2.516 -7.454 1.00 0.00 C ATOM 453 CE1 TYR A 28 -6.508 0.585 -5.615 1.00 0.00 C ATOM 454 CE2 TYR A 28 -8.181 1.751 -6.856 1.00 0.00 C ATOM 455 CZ TYR A 28 -7.826 0.785 -5.946 1.00 0.00 C ATOM 456 OH TYR A 28 -8.807 0.025 -5.341 1.00 0.00 O ATOM 0 H TYR A 28 -3.942 2.982 -5.487 1.00 0.00 H new ATOM 0 HA TYR A 28 -3.523 4.882 -7.587 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -5.126 3.480 -8.793 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -3.909 2.499 -8.000 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -4.500 1.192 -5.963 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -7.480 3.278 -8.166 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -6.236 -0.165 -4.887 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -9.220 1.911 -7.102 1.00 0.00 H new ATOM 0 HH TYR A 28 -8.516 -0.227 -4.440 1.00 0.00 H new ATOM 466 N LYS A 29 -6.022 5.393 -5.625 1.00 0.00 N ATOM 467 CA LYS A 29 -7.146 6.279 -5.331 1.00 0.00 C ATOM 468 C LYS A 29 -6.640 7.616 -4.827 1.00 0.00 C ATOM 469 O LYS A 29 -5.557 7.714 -4.263 1.00 0.00 O ATOM 470 CB LYS A 29 -8.084 5.663 -4.294 1.00 0.00 C ATOM 471 CG LYS A 29 -8.928 4.527 -4.826 1.00 0.00 C ATOM 472 CD LYS A 29 -9.916 4.054 -3.771 1.00 0.00 C ATOM 473 CE LYS A 29 -10.800 2.918 -4.272 1.00 0.00 C ATOM 474 NZ LYS A 29 -11.743 2.426 -3.236 1.00 0.00 N ATOM 0 H LYS A 29 -5.724 4.816 -4.839 1.00 0.00 H new ATOM 0 HA LYS A 29 -7.704 6.425 -6.256 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.492 5.300 -3.454 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.742 6.441 -3.907 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -9.466 4.853 -5.716 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.285 3.700 -5.127 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.370 3.723 -2.888 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.543 4.891 -3.463 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.365 3.259 -5.140 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.170 2.093 -4.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.319 1.655 -3.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.207 2.075 -2.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.364 3.204 -2.935 1.00 0.00 H new ATOM 488 N GLU A 30 -7.441 8.652 -5.042 1.00 0.00 N ATOM 489 CA GLU A 30 -7.097 9.976 -4.566 1.00 0.00 C ATOM 490 C GLU A 30 -7.386 10.073 -3.076 1.00 0.00 C ATOM 491 O GLU A 30 -8.436 9.613 -2.611 1.00 0.00 O ATOM 492 CB GLU A 30 -7.909 11.020 -5.331 1.00 0.00 C ATOM 493 CG GLU A 30 -7.493 12.462 -5.037 1.00 0.00 C ATOM 494 CD GLU A 30 -8.393 13.478 -5.720 1.00 0.00 C ATOM 495 OE1 GLU A 30 -8.285 13.631 -6.952 1.00 0.00 O ATOM 496 OE2 GLU A 30 -9.205 14.117 -5.038 1.00 0.00 O ATOM 0 H GLU A 30 -8.329 8.597 -5.541 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.036 10.161 -4.732 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -7.808 10.833 -6.400 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -8.964 10.898 -5.084 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.513 12.630 -3.960 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.465 12.614 -5.365 1.00 0.00 H new ATOM 503 N ILE A 31 -6.464 10.659 -2.325 1.00 0.00 N ATOM 504 CA ILE A 31 -6.624 10.825 -0.892 1.00 0.00 C ATOM 505 C ILE A 31 -7.773 11.782 -0.603 1.00 0.00 C ATOM 506 O ILE A 31 -7.803 12.886 -1.161 1.00 0.00 O ATOM 507 CB ILE A 31 -5.345 11.364 -0.242 1.00 0.00 C ATOM 508 CG1 ILE A 31 -4.148 10.448 -0.528 1.00 0.00 C ATOM 509 CG2 ILE A 31 -5.529 11.542 1.257 1.00 0.00 C ATOM 510 CD1 ILE A 31 -2.815 11.004 -0.043 1.00 0.00 C ATOM 0 H ILE A 31 -5.588 11.031 -2.693 1.00 0.00 H new ATOM 0 HA ILE A 31 -6.840 9.844 -0.469 1.00 0.00 H new ATOM 0 HB ILE A 31 -5.139 12.340 -0.682 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.321 9.482 -0.054 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.087 10.270 -1.602 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.607 11.925 1.694 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -6.339 12.247 1.443 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -5.773 10.581 1.710 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.018 10.299 -0.282 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.617 11.956 -0.536 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.855 11.155 1.036 1.00 0.00 H new ATOM 522 N PRO A 32 -8.738 11.366 0.228 1.00 0.00 N ATOM 523 CA PRO A 32 -9.852 12.216 0.625 1.00 0.00 C ATOM 524 C PRO A 32 -9.376 13.542 1.215 1.00 0.00 C ATOM 525 O PRO A 32 -8.270 13.629 1.773 1.00 0.00 O ATOM 526 CB PRO A 32 -10.571 11.403 1.695 1.00 0.00 C ATOM 527 CG PRO A 32 -10.232 9.986 1.367 1.00 0.00 C ATOM 528 CD PRO A 32 -8.824 10.023 0.823 1.00 0.00 C ATOM 0 HA PRO A 32 -10.482 12.476 -0.225 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -10.232 11.673 2.695 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -11.648 11.572 1.667 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -10.294 9.353 2.252 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -10.926 9.576 0.633 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -8.083 9.881 1.610 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -8.656 9.241 0.082 1.00 0.00 H new ATOM 536 N GLN A 33 -10.193 14.589 1.111 1.00 0.00 N ATOM 537 CA GLN A 33 -9.815 15.894 1.573 1.00 0.00 C ATOM 538 C GLN A 33 -9.923 15.956 3.093 1.00 0.00 C ATOM 539 O GLN A 33 -10.982 15.670 3.658 1.00 0.00 O ATOM 540 CB GLN A 33 -10.676 16.961 0.916 1.00 0.00 C ATOM 541 CG GLN A 33 -10.172 18.375 1.114 1.00 0.00 C ATOM 542 CD GLN A 33 -10.718 19.334 0.079 1.00 0.00 C ATOM 543 OE1 GLN A 33 -11.763 19.963 0.273 1.00 0.00 O ATOM 544 NE2 GLN A 33 -10.028 19.450 -1.031 1.00 0.00 N ATOM 0 H GLN A 33 -11.127 14.542 0.704 1.00 0.00 H new ATOM 0 HA GLN A 33 -8.779 16.086 1.294 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -10.737 16.755 -0.153 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -11.689 16.890 1.313 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -10.452 18.721 2.109 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -9.083 18.379 1.070 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -9.169 18.914 -1.156 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -10.351 20.076 -1.769 1.00 0.00 H new ATOM 553 N GLY A 34 -8.831 16.296 3.747 1.00 0.00 N ATOM 554 CA GLY A 34 -8.778 16.242 5.189 1.00 0.00 C ATOM 555 C GLY A 34 -7.766 15.211 5.659 1.00 0.00 C ATOM 556 O GLY A 34 -7.330 15.233 6.805 1.00 0.00 O ATOM 0 H GLY A 34 -7.970 16.612 3.301 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.513 17.223 5.584 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.764 15.995 5.584 1.00 0.00 H new ATOM 560 N TRP A 35 -7.402 14.323 4.746 1.00 0.00 N ATOM 561 CA TRP A 35 -6.408 13.307 5.012 1.00 0.00 C ATOM 562 C TRP A 35 -5.129 13.649 4.249 1.00 0.00 C ATOM 563 O TRP A 35 -5.165 14.347 3.235 1.00 0.00 O ATOM 564 CB TRP A 35 -6.912 11.917 4.549 1.00 0.00 C ATOM 565 CG TRP A 35 -8.205 11.478 5.146 1.00 0.00 C ATOM 566 CD1 TRP A 35 -9.445 12.013 4.923 1.00 0.00 C ATOM 567 CD2 TRP A 35 -8.418 10.385 6.046 1.00 0.00 C ATOM 568 NE1 TRP A 35 -10.396 11.333 5.632 1.00 0.00 N ATOM 569 CE2 TRP A 35 -9.791 10.323 6.329 1.00 0.00 C ATOM 570 CE3 TRP A 35 -7.564 9.451 6.642 1.00 0.00 C ATOM 571 CZ2 TRP A 35 -10.327 9.360 7.182 1.00 0.00 C ATOM 572 CZ3 TRP A 35 -8.106 8.494 7.480 1.00 0.00 C ATOM 573 CH2 TRP A 35 -9.485 8.460 7.743 1.00 0.00 C ATOM 0 H TRP A 35 -7.790 14.291 3.803 1.00 0.00 H new ATOM 0 HA TRP A 35 -6.216 13.275 6.085 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -7.017 11.930 3.464 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -6.150 11.175 4.787 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -9.644 12.855 4.277 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -11.394 11.544 5.640 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -6.501 9.477 6.451 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -11.386 9.332 7.390 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -7.459 7.761 7.939 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -9.881 7.703 8.404 1.00 0.00 H new ATOM 584 N ARG A 36 -3.988 13.160 4.726 1.00 0.00 N ATOM 585 CA ARG A 36 -2.727 13.288 3.998 1.00 0.00 C ATOM 586 C ARG A 36 -1.872 12.037 4.223 1.00 0.00 C ATOM 587 O ARG A 36 -2.055 11.335 5.219 1.00 0.00 O ATOM 588 CB ARG A 36 -1.957 14.551 4.423 1.00 0.00 C ATOM 589 CG ARG A 36 -1.383 14.500 5.837 1.00 0.00 C ATOM 590 CD ARG A 36 -2.447 14.721 6.896 1.00 0.00 C ATOM 591 NE ARG A 36 -2.931 16.092 6.904 1.00 0.00 N ATOM 592 CZ ARG A 36 -3.668 16.620 7.884 1.00 0.00 C ATOM 593 NH1 ARG A 36 -4.082 15.852 8.886 1.00 0.00 N ATOM 594 NH2 ARG A 36 -4.015 17.890 7.834 1.00 0.00 N ATOM 0 H ARG A 36 -3.910 12.669 5.617 1.00 0.00 H new ATOM 0 HA ARG A 36 -2.953 13.384 2.936 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -1.141 14.717 3.720 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.624 15.410 4.346 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -0.907 13.533 5.999 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.607 15.259 5.940 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.282 14.043 6.718 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.039 14.475 7.876 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.693 16.688 6.111 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.837 14.862 8.905 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -4.645 16.252 9.636 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -3.721 18.469 7.047 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -4.578 18.295 8.582 1.00 0.00 H new ATOM 608 N ALA A 37 -0.968 11.780 3.298 1.00 0.00 N ATOM 609 CA ALA A 37 -0.130 10.587 3.357 1.00 0.00 C ATOM 610 C ALA A 37 1.036 10.786 4.307 1.00 0.00 C ATOM 611 O ALA A 37 1.682 11.840 4.297 1.00 0.00 O ATOM 612 CB ALA A 37 0.372 10.228 1.966 1.00 0.00 C ATOM 0 H ALA A 37 -0.791 12.380 2.492 1.00 0.00 H new ATOM 0 HA ALA A 37 -0.735 9.764 3.736 1.00 0.00 H new ATOM 0 HB1 ALA A 37 0.996 9.336 2.023 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -0.478 10.035 1.311 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.958 11.056 1.566 1.00 0.00 H new ATOM 618 N ALA A 38 1.335 9.765 5.094 1.00 0.00 N ATOM 619 CA ALA A 38 2.419 9.804 6.051 1.00 0.00 C ATOM 620 C ALA A 38 3.246 8.534 5.954 1.00 0.00 C ATOM 621 O ALA A 38 2.713 7.454 5.719 1.00 0.00 O ATOM 622 CB ALA A 38 1.874 10.018 7.467 1.00 0.00 C ATOM 0 H ALA A 38 0.826 8.881 5.083 1.00 0.00 H new ATOM 0 HA ALA A 38 3.071 10.646 5.820 1.00 0.00 H new ATOM 0 HB1 ALA A 38 2.702 10.045 8.175 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.330 10.962 7.509 1.00 0.00 H new ATOM 0 HB3 ALA A 38 1.202 9.200 7.726 1.00 0.00 H new ATOM 628 N GLY A 39 4.554 8.674 6.136 1.00 0.00 N ATOM 629 CA GLY A 39 5.431 7.533 6.041 1.00 0.00 C ATOM 630 C GLY A 39 5.798 7.253 4.611 1.00 0.00 C ATOM 631 O GLY A 39 6.699 7.879 4.066 1.00 0.00 O ATOM 0 H GLY A 39 5.018 9.558 6.347 1.00 0.00 H new ATOM 0 HA2 GLY A 39 6.334 7.715 6.623 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.944 6.659 6.473 1.00 0.00 H new ATOM 635 N LYS A 40 5.096 6.303 3.990 1.00 0.00 N ATOM 636 CA LYS A 40 5.356 5.933 2.602 1.00 0.00 C ATOM 637 C LYS A 40 4.246 5.057 2.051 1.00 0.00 C ATOM 638 O LYS A 40 3.314 4.678 2.769 1.00 0.00 O ATOM 639 CB LYS A 40 6.725 5.257 2.454 1.00 0.00 C ATOM 640 CG LYS A 40 6.934 4.028 3.322 1.00 0.00 C ATOM 641 CD LYS A 40 8.388 3.596 3.302 1.00 0.00 C ATOM 642 CE LYS A 40 8.650 2.475 4.284 1.00 0.00 C ATOM 643 NZ LYS A 40 8.044 1.199 3.835 1.00 0.00 N ATOM 0 H LYS A 40 4.342 5.776 4.430 1.00 0.00 H new ATOM 0 HA LYS A 40 5.376 6.850 2.013 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.862 4.973 1.411 1.00 0.00 H new ATOM 0 HB3 LYS A 40 7.500 5.986 2.690 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.628 4.244 4.346 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.303 3.214 2.966 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.658 3.271 2.297 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.024 4.448 3.543 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.725 2.344 4.408 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.248 2.745 5.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.315 0.437 4.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.008 1.292 3.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.383 0.972 2.878 1.00 0.00 H new ATOM 657 N SER A 41 4.352 4.760 0.768 1.00 0.00 N ATOM 658 CA SER A 41 3.331 3.987 0.060 1.00 0.00 C ATOM 659 C SER A 41 3.880 2.626 -0.373 1.00 0.00 C ATOM 660 O SER A 41 5.098 2.459 -0.507 1.00 0.00 O ATOM 661 CB SER A 41 2.846 4.809 -1.141 1.00 0.00 C ATOM 662 OG SER A 41 1.718 4.209 -1.765 1.00 0.00 O ATOM 0 H SER A 41 5.140 5.043 0.185 1.00 0.00 H new ATOM 0 HA SER A 41 2.488 3.788 0.722 1.00 0.00 H new ATOM 0 HB2 SER A 41 2.588 5.816 -0.813 1.00 0.00 H new ATOM 0 HB3 SER A 41 3.654 4.907 -1.866 1.00 0.00 H new ATOM 0 HG SER A 41 1.994 3.792 -2.608 1.00 0.00 H new ATOM 668 N GLY A 42 2.992 1.663 -0.589 1.00 0.00 N ATOM 669 CA GLY A 42 3.412 0.333 -1.000 1.00 0.00 C ATOM 670 C GLY A 42 2.306 -0.686 -0.817 1.00 0.00 C ATOM 671 O GLY A 42 1.131 -0.372 -0.955 1.00 0.00 O ATOM 0 H GLY A 42 1.984 1.779 -0.487 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.717 0.355 -2.046 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.284 0.031 -0.420 1.00 0.00 H new ATOM 675 N LEU A 43 2.680 -1.920 -0.532 1.00 0.00 N ATOM 676 CA LEU A 43 1.701 -2.961 -0.266 1.00 0.00 C ATOM 677 C LEU A 43 1.091 -2.797 1.124 1.00 0.00 C ATOM 678 O LEU A 43 1.659 -2.114 1.974 1.00 0.00 O ATOM 679 CB LEU A 43 2.322 -4.360 -0.413 1.00 0.00 C ATOM 680 CG LEU A 43 2.552 -4.853 -1.851 1.00 0.00 C ATOM 681 CD1 LEU A 43 1.276 -4.750 -2.663 1.00 0.00 C ATOM 682 CD2 LEU A 43 3.678 -4.080 -2.534 1.00 0.00 C ATOM 0 H LEU A 43 3.651 -2.226 -0.479 1.00 0.00 H new ATOM 0 HA LEU A 43 0.907 -2.860 -1.006 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.279 -4.366 0.109 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.677 -5.076 0.096 1.00 0.00 H new ATOM 0 HG LEU A 43 2.849 -5.900 -1.795 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.461 -5.104 -3.677 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.500 -5.361 -2.201 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.948 -3.711 -2.695 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.813 -4.455 -3.549 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.423 -3.021 -2.569 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.603 -4.212 -1.972 1.00 0.00 H new ATOM 694 N LYS A 44 -0.050 -3.434 1.342 1.00 0.00 N ATOM 695 CA LYS A 44 -0.805 -3.279 2.585 1.00 0.00 C ATOM 696 C LYS A 44 0.045 -3.585 3.798 1.00 0.00 C ATOM 697 O LYS A 44 0.053 -2.818 4.744 1.00 0.00 O ATOM 698 CB LYS A 44 -2.017 -4.216 2.566 1.00 0.00 C ATOM 699 CG LYS A 44 -3.008 -3.938 3.693 1.00 0.00 C ATOM 700 CD LYS A 44 -3.961 -5.109 3.905 1.00 0.00 C ATOM 701 CE LYS A 44 -4.665 -5.524 2.617 1.00 0.00 C ATOM 702 NZ LYS A 44 -3.868 -6.543 1.859 1.00 0.00 N ATOM 0 H LYS A 44 -0.480 -4.070 0.670 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.129 -2.241 2.653 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.529 -4.119 1.608 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -1.672 -5.247 2.640 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.463 -3.740 4.616 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.580 -3.040 3.461 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.406 -5.959 4.303 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.706 -4.837 4.652 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.648 -5.932 2.853 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.826 -4.647 1.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.545 -6.132 0.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.044 -6.830 2.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.462 -7.375 1.666 1.00 0.00 H new ATOM 716 N LYS A 45 0.740 -4.706 3.763 1.00 0.00 N ATOM 717 CA LYS A 45 1.544 -5.170 4.883 1.00 0.00 C ATOM 718 C LYS A 45 2.622 -4.155 5.264 1.00 0.00 C ATOM 719 O LYS A 45 3.014 -4.055 6.429 1.00 0.00 O ATOM 720 CB LYS A 45 2.166 -6.539 4.571 1.00 0.00 C ATOM 721 CG LYS A 45 2.953 -6.612 3.283 1.00 0.00 C ATOM 722 CD LYS A 45 4.398 -6.138 3.466 1.00 0.00 C ATOM 723 CE LYS A 45 5.196 -6.271 2.175 1.00 0.00 C ATOM 724 NZ LYS A 45 6.571 -5.760 2.323 1.00 0.00 N ATOM 0 H LYS A 45 0.764 -5.326 2.953 1.00 0.00 H new ATOM 0 HA LYS A 45 0.882 -5.279 5.742 1.00 0.00 H new ATOM 0 HB2 LYS A 45 2.823 -6.818 5.395 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.369 -7.282 4.533 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.952 -7.638 2.915 1.00 0.00 H new ATOM 0 HG3 LYS A 45 2.464 -6.001 2.524 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.402 -5.098 3.792 1.00 0.00 H new ATOM 0 HD3 LYS A 45 4.877 -6.721 4.253 1.00 0.00 H new ATOM 0 HE2 LYS A 45 5.228 -7.318 1.875 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.690 -5.726 1.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 7.080 -5.869 1.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.541 -4.754 2.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.063 -6.297 3.066 1.00 0.00 H new ATOM 738 N ASP A 46 3.084 -3.384 4.284 1.00 0.00 N ATOM 739 CA ASP A 46 4.080 -2.378 4.508 1.00 0.00 C ATOM 740 C ASP A 46 3.478 -1.186 5.235 1.00 0.00 C ATOM 741 O ASP A 46 4.107 -0.575 6.109 1.00 0.00 O ATOM 742 CB ASP A 46 4.677 -1.924 3.161 1.00 0.00 C ATOM 743 CG ASP A 46 5.805 -0.918 3.338 1.00 0.00 C ATOM 744 OD1 ASP A 46 6.957 -1.353 3.560 1.00 0.00 O ATOM 745 OD2 ASP A 46 5.567 0.299 3.242 1.00 0.00 O ATOM 0 H ASP A 46 2.769 -3.451 3.316 1.00 0.00 H new ATOM 0 HA ASP A 46 4.870 -2.801 5.128 1.00 0.00 H new ATOM 0 HB2 ASP A 46 5.050 -2.794 2.620 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.891 -1.481 2.549 1.00 0.00 H new ATOM 750 N CYS A 47 2.244 -0.877 4.886 1.00 0.00 N ATOM 751 CA CYS A 47 1.531 0.227 5.478 1.00 0.00 C ATOM 752 C CYS A 47 1.176 -0.087 6.919 1.00 0.00 C ATOM 753 O CYS A 47 1.474 0.684 7.829 1.00 0.00 O ATOM 754 CB CYS A 47 0.263 0.508 4.666 1.00 0.00 C ATOM 755 SG CYS A 47 0.562 0.749 2.901 1.00 0.00 S ATOM 0 H CYS A 47 1.711 -1.388 4.182 1.00 0.00 H new ATOM 0 HA CYS A 47 2.167 1.112 5.468 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -0.432 -0.322 4.797 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -0.224 1.397 5.067 1.00 0.00 H new ATOM 0 HG CYS A 47 1.000 -0.358 2.380 1.00 0.00 H new ATOM 761 N LEU A 48 0.575 -1.266 7.114 1.00 0.00 N ATOM 762 CA LEU A 48 0.176 -1.722 8.441 1.00 0.00 C ATOM 763 C LEU A 48 1.370 -1.733 9.394 1.00 0.00 C ATOM 764 O LEU A 48 1.297 -1.280 10.539 1.00 0.00 O ATOM 765 CB LEU A 48 -0.421 -3.122 8.348 1.00 0.00 C ATOM 766 CG LEU A 48 -1.568 -3.266 7.344 1.00 0.00 C ATOM 767 CD1 LEU A 48 -2.075 -4.699 7.316 1.00 0.00 C ATOM 768 CD2 LEU A 48 -2.681 -2.297 7.650 1.00 0.00 C ATOM 0 H LEU A 48 0.356 -1.921 6.363 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.572 -1.032 8.832 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.370 -3.822 8.077 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.781 -3.414 9.334 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.187 -3.023 6.352 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.890 -4.783 6.597 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.264 -5.366 7.024 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.435 -4.977 8.307 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.482 -2.421 6.921 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.067 -2.491 8.651 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.300 -1.277 7.600 1.00 0.00 H new ATOM 780 N ALA A 49 2.478 -2.273 8.900 1.00 0.00 N ATOM 781 CA ALA A 49 3.725 -2.325 9.644 1.00 0.00 C ATOM 782 C ALA A 49 4.130 -0.937 10.144 1.00 0.00 C ATOM 783 O ALA A 49 4.603 -0.799 11.276 1.00 0.00 O ATOM 784 CB ALA A 49 4.823 -2.935 8.806 1.00 0.00 C ATOM 0 H ALA A 49 2.534 -2.687 7.970 1.00 0.00 H new ATOM 0 HA ALA A 49 3.568 -2.960 10.516 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.747 -2.964 9.383 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.542 -3.949 8.520 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.973 -2.333 7.910 1.00 0.00 H new ATOM 790 N TYR A 50 3.967 0.055 9.288 1.00 0.00 N ATOM 791 CA TYR A 50 4.317 1.430 9.629 1.00 0.00 C ATOM 792 C TYR A 50 3.613 1.905 10.896 1.00 0.00 C ATOM 793 O TYR A 50 4.245 2.452 11.776 1.00 0.00 O ATOM 794 CB TYR A 50 3.997 2.385 8.465 1.00 0.00 C ATOM 795 CG TYR A 50 4.309 3.832 8.802 1.00 0.00 C ATOM 796 CD1 TYR A 50 5.607 4.303 8.798 1.00 0.00 C ATOM 797 CD2 TYR A 50 3.289 4.730 9.124 1.00 0.00 C ATOM 798 CE1 TYR A 50 5.910 5.618 9.119 1.00 0.00 C ATOM 799 CE2 TYR A 50 3.587 6.051 9.438 1.00 0.00 C ATOM 800 CZ TYR A 50 4.885 6.497 9.444 1.00 0.00 C ATOM 801 OH TYR A 50 5.168 7.801 9.745 1.00 0.00 O ATOM 0 H TYR A 50 3.593 -0.062 8.346 1.00 0.00 H new ATOM 0 HA TYR A 50 5.391 1.442 9.817 1.00 0.00 H new ATOM 0 HB2 TYR A 50 4.570 2.088 7.587 1.00 0.00 H new ATOM 0 HB3 TYR A 50 2.943 2.295 8.204 1.00 0.00 H new ATOM 0 HD1 TYR A 50 6.409 3.628 8.538 1.00 0.00 H new ATOM 0 HD2 TYR A 50 2.262 4.396 9.129 1.00 0.00 H new ATOM 0 HE1 TYR A 50 6.936 5.956 9.116 1.00 0.00 H new ATOM 0 HE2 TYR A 50 2.787 6.735 9.680 1.00 0.00 H new ATOM 0 HH TYR A 50 4.336 8.278 9.948 1.00 0.00 H new ATOM 811 N ILE A 51 2.307 1.681 10.990 1.00 0.00 N ATOM 812 CA ILE A 51 1.531 2.181 12.126 1.00 0.00 C ATOM 813 C ILE A 51 1.902 1.453 13.403 1.00 0.00 C ATOM 814 O ILE A 51 1.878 2.034 14.480 1.00 0.00 O ATOM 815 CB ILE A 51 0.000 2.057 11.885 1.00 0.00 C ATOM 816 CG1 ILE A 51 -0.482 3.031 10.800 1.00 0.00 C ATOM 817 CG2 ILE A 51 -0.793 2.313 13.162 1.00 0.00 C ATOM 818 CD1 ILE A 51 -0.196 2.565 9.391 1.00 0.00 C ATOM 0 H ILE A 51 1.764 1.161 10.301 1.00 0.00 H new ATOM 0 HA ILE A 51 1.777 3.238 12.230 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.175 1.034 11.553 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -1.556 3.182 10.912 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.006 3.999 10.956 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.859 2.217 12.954 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -0.505 1.586 13.921 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.583 3.319 13.525 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -0.565 3.305 8.681 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.879 2.441 9.260 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -0.695 1.612 9.215 1.00 0.00 H new ATOM 830 N GLU A 52 2.205 0.182 13.278 1.00 0.00 N ATOM 831 CA GLU A 52 2.578 -0.613 14.430 1.00 0.00 C ATOM 832 C GLU A 52 3.835 -0.037 15.085 1.00 0.00 C ATOM 833 O GLU A 52 3.925 0.040 16.315 1.00 0.00 O ATOM 834 CB GLU A 52 2.807 -2.069 14.035 1.00 0.00 C ATOM 835 CG GLU A 52 2.592 -3.046 15.178 1.00 0.00 C ATOM 836 CD GLU A 52 1.133 -3.074 15.631 1.00 0.00 C ATOM 837 OE1 GLU A 52 0.312 -3.657 14.903 1.00 0.00 O ATOM 838 OE2 GLU A 52 0.821 -2.515 16.709 1.00 0.00 O ATOM 0 H GLU A 52 2.201 -0.325 12.393 1.00 0.00 H new ATOM 0 HA GLU A 52 1.759 -0.580 15.148 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.135 -2.326 13.216 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.824 -2.180 13.659 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.895 -4.045 14.865 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.229 -2.769 16.018 1.00 0.00 H new ATOM 845 N GLU A 53 4.798 0.330 14.247 1.00 0.00 N ATOM 846 CA GLU A 53 6.116 0.797 14.725 1.00 0.00 C ATOM 847 C GLU A 53 6.029 1.803 15.892 1.00 0.00 C ATOM 848 O GLU A 53 6.539 1.488 16.967 1.00 0.00 O ATOM 849 CB GLU A 53 6.915 1.400 13.574 1.00 0.00 C ATOM 850 CG GLU A 53 7.183 0.422 12.448 1.00 0.00 C ATOM 851 CD GLU A 53 8.073 -0.728 12.875 1.00 0.00 C ATOM 852 OE1 GLU A 53 9.299 -0.526 13.009 1.00 0.00 O ATOM 853 OE2 GLU A 53 7.542 -1.850 13.065 1.00 0.00 O ATOM 0 H GLU A 53 4.701 0.317 13.232 1.00 0.00 H new ATOM 0 HA GLU A 53 6.627 -0.084 15.113 1.00 0.00 H new ATOM 0 HB2 GLU A 53 6.374 2.259 13.177 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.866 1.771 13.957 1.00 0.00 H new ATOM 0 HG2 GLU A 53 6.236 0.027 12.082 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.651 0.950 11.617 1.00 0.00 H new ATOM 860 N VAL A 54 5.435 2.996 15.751 1.00 0.00 N ATOM 861 CA VAL A 54 4.860 3.500 14.513 1.00 0.00 C ATOM 862 C VAL A 54 5.879 4.346 13.733 1.00 0.00 C ATOM 863 O VAL A 54 5.888 4.365 12.501 1.00 0.00 O ATOM 864 CB VAL A 54 3.597 4.375 14.797 1.00 0.00 C ATOM 865 CG1 VAL A 54 3.867 5.347 15.932 1.00 0.00 C ATOM 866 CG2 VAL A 54 3.164 5.115 13.548 1.00 0.00 C ATOM 0 H VAL A 54 5.343 3.653 16.526 1.00 0.00 H new ATOM 0 HA VAL A 54 4.576 2.633 13.917 1.00 0.00 H new ATOM 0 HB VAL A 54 2.784 3.715 15.098 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.977 5.948 16.116 1.00 0.00 H new ATOM 0 HG12 VAL A 54 4.122 4.791 16.834 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.696 6.001 15.662 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.283 5.718 13.769 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.972 5.764 13.211 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.925 4.397 12.764 1.00 0.00 H new ATOM 876 N TRP A 55 6.756 5.020 14.439 1.00 0.00 N ATOM 877 CA TRP A 55 7.737 5.899 13.820 1.00 0.00 C ATOM 878 C TRP A 55 8.867 5.116 13.175 1.00 0.00 C ATOM 879 O TRP A 55 9.138 5.272 11.983 1.00 0.00 O ATOM 880 CB TRP A 55 8.291 6.901 14.859 1.00 0.00 C ATOM 881 CG TRP A 55 7.219 7.678 15.547 1.00 0.00 C ATOM 882 CD1 TRP A 55 6.693 7.446 16.790 1.00 0.00 C ATOM 883 CD2 TRP A 55 6.520 8.818 15.027 1.00 0.00 C ATOM 884 NE1 TRP A 55 5.715 8.355 17.074 1.00 0.00 N ATOM 885 CE2 TRP A 55 5.589 9.214 16.015 1.00 0.00 C ATOM 886 CE3 TRP A 55 6.587 9.525 13.842 1.00 0.00 C ATOM 887 CZ2 TRP A 55 4.736 10.299 15.836 1.00 0.00 C ATOM 888 CZ3 TRP A 55 5.730 10.609 13.665 1.00 0.00 C ATOM 889 CH2 TRP A 55 4.823 10.980 14.660 1.00 0.00 C ATOM 0 H TRP A 55 6.815 4.979 15.456 1.00 0.00 H new ATOM 0 HA TRP A 55 7.233 6.454 13.029 1.00 0.00 H new ATOM 0 HB2 TRP A 55 8.874 6.359 15.603 1.00 0.00 H new ATOM 0 HB3 TRP A 55 8.972 7.592 14.362 1.00 0.00 H new ATOM 0 HD1 TRP A 55 7.008 6.654 17.453 1.00 0.00 H new ATOM 0 HE1 TRP A 55 5.168 8.389 17.934 1.00 0.00 H new ATOM 0 HE3 TRP A 55 7.288 9.244 13.070 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 4.031 10.590 16.601 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 5.768 11.171 12.744 1.00 0.00 H new ATOM 0 HH2 TRP A 55 4.175 11.828 14.493 1.00 0.00 H new ATOM 900 N THR A 56 9.465 4.201 13.950 1.00 0.00 N ATOM 901 CA THR A 56 10.720 3.536 13.572 1.00 0.00 C ATOM 902 C THR A 56 11.243 2.627 14.688 1.00 0.00 C ATOM 903 O THR A 56 12.444 2.638 14.991 1.00 0.00 O ATOM 904 CB THR A 56 11.839 4.538 13.250 1.00 0.00 C ATOM 905 OG1 THR A 56 11.661 5.750 13.999 1.00 0.00 O ATOM 906 CG2 THR A 56 11.922 4.854 11.753 1.00 0.00 C ATOM 0 H THR A 56 9.095 3.902 14.852 1.00 0.00 H new ATOM 0 HA THR A 56 10.473 2.952 12.685 1.00 0.00 H new ATOM 0 HB THR A 56 12.779 4.069 13.540 1.00 0.00 H new ATOM 0 HG1 THR A 56 12.383 6.377 13.783 1.00 0.00 H new ATOM 0 HG21 THR A 56 12.728 5.566 11.576 1.00 0.00 H new ATOM 0 HG22 THR A 56 12.120 3.937 11.198 1.00 0.00 H new ATOM 0 HG23 THR A 56 10.978 5.284 11.419 1.00 0.00 H new ATOM 914 N ASP A 57 10.392 1.782 15.251 1.00 0.00 N ATOM 915 CA ASP A 57 10.782 0.958 16.405 1.00 0.00 C ATOM 916 C ASP A 57 9.580 0.158 16.922 1.00 0.00 C ATOM 917 O ASP A 57 8.656 -0.155 16.178 1.00 0.00 O ATOM 918 CB ASP A 57 11.357 1.835 17.532 1.00 0.00 C ATOM 919 CG ASP A 57 12.214 1.041 18.509 1.00 0.00 C ATOM 920 OD1 ASP A 57 13.406 0.819 18.191 1.00 0.00 O ATOM 921 OD2 ASP A 57 11.709 0.654 19.575 1.00 0.00 O ATOM 0 H ASP A 57 9.432 1.643 14.937 1.00 0.00 H new ATOM 0 HA ASP A 57 11.555 0.262 16.079 1.00 0.00 H new ATOM 0 HB2 ASP A 57 11.955 2.635 17.096 1.00 0.00 H new ATOM 0 HB3 ASP A 57 10.538 2.308 18.074 1.00 0.00 H new ATOM 926 N MET A 58 9.638 -0.220 18.181 1.00 0.00 N ATOM 927 CA MET A 58 8.557 -0.913 18.843 1.00 0.00 C ATOM 928 C MET A 58 8.126 -0.110 20.074 1.00 0.00 C ATOM 929 O MET A 58 7.061 0.497 20.084 1.00 0.00 O ATOM 930 CB MET A 58 8.984 -2.324 19.252 1.00 0.00 C ATOM 931 CG MET A 58 9.369 -3.207 18.082 1.00 0.00 C ATOM 932 SD MET A 58 9.878 -4.853 18.607 1.00 0.00 S ATOM 933 CE MET A 58 11.309 -4.455 19.612 1.00 0.00 C ATOM 0 H MET A 58 10.447 -0.052 18.779 1.00 0.00 H new ATOM 0 HA MET A 58 7.718 -1.005 18.154 1.00 0.00 H new ATOM 0 HB2 MET A 58 9.829 -2.254 19.937 1.00 0.00 H new ATOM 0 HB3 MET A 58 8.168 -2.797 19.800 1.00 0.00 H new ATOM 0 HG2 MET A 58 8.523 -3.291 17.399 1.00 0.00 H new ATOM 0 HG3 MET A 58 10.181 -2.738 17.527 1.00 0.00 H new ATOM 0 HE1 MET A 58 11.947 -5.335 19.702 1.00 0.00 H new ATOM 0 HE2 MET A 58 11.870 -3.647 19.143 1.00 0.00 H new ATOM 0 HE3 MET A 58 10.982 -4.141 20.603 1.00 0.00 H new ATOM 943 N ARG A 59 8.996 -0.138 21.096 1.00 0.00 N ATOM 944 CA ARG A 59 8.777 0.617 22.337 1.00 0.00 C ATOM 945 C ARG A 59 7.532 0.115 23.084 1.00 0.00 C ATOM 946 O ARG A 59 6.813 -0.761 22.593 1.00 0.00 O ATOM 947 CB ARG A 59 8.682 2.114 22.033 1.00 0.00 C ATOM 948 CG ARG A 59 9.987 2.720 21.587 1.00 0.00 C ATOM 949 CD ARG A 59 9.912 4.237 21.404 1.00 0.00 C ATOM 950 NE ARG A 59 11.231 4.795 21.106 1.00 0.00 N ATOM 951 CZ ARG A 59 11.463 6.083 20.838 1.00 0.00 C ATOM 952 NH1 ARG A 59 10.464 6.964 20.824 1.00 0.00 N ATOM 953 NH2 ARG A 59 12.700 6.494 20.604 1.00 0.00 N ATOM 0 H ARG A 59 9.861 -0.678 21.085 1.00 0.00 H new ATOM 0 HA ARG A 59 9.631 0.455 22.995 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.933 2.272 21.257 1.00 0.00 H new ATOM 0 HB3 ARG A 59 8.334 2.636 22.924 1.00 0.00 H new ATOM 0 HG2 ARG A 59 10.759 2.486 22.320 1.00 0.00 H new ATOM 0 HG3 ARG A 59 10.291 2.261 20.646 1.00 0.00 H new ATOM 0 HD2 ARG A 59 9.221 4.476 20.595 1.00 0.00 H new ATOM 0 HD3 ARG A 59 9.515 4.697 22.309 1.00 0.00 H new ATOM 0 HE ARG A 59 12.027 4.158 21.103 1.00 0.00 H new ATOM 0 HH11 ARG A 59 9.511 6.657 21.019 1.00 0.00 H new ATOM 0 HH12 ARG A 59 10.652 7.945 20.618 1.00 0.00 H new ATOM 0 HH21 ARG A 59 13.472 5.828 20.629 1.00 0.00 H new ATOM 0 HH22 ARG A 59 12.881 7.477 20.399 1.00 0.00 H new ATOM 967 N PRO A 60 7.290 0.609 24.318 1.00 0.00 N ATOM 968 CA PRO A 60 6.060 0.311 25.036 1.00 0.00 C ATOM 969 C PRO A 60 4.829 0.861 24.301 1.00 0.00 C ATOM 970 O PRO A 60 4.609 2.077 24.289 1.00 0.00 O ATOM 971 CB PRO A 60 6.232 1.004 26.398 1.00 0.00 C ATOM 972 CG PRO A 60 7.701 1.236 26.512 1.00 0.00 C ATOM 973 CD PRO A 60 8.191 1.450 25.118 1.00 0.00 C ATOM 0 HA PRO A 60 5.895 -0.763 25.128 1.00 0.00 H new ATOM 0 HB2 PRO A 60 5.677 1.941 26.440 1.00 0.00 H new ATOM 0 HB3 PRO A 60 5.864 0.379 27.211 1.00 0.00 H new ATOM 0 HG2 PRO A 60 7.912 2.103 27.138 1.00 0.00 H new ATOM 0 HG3 PRO A 60 8.197 0.382 26.973 1.00 0.00 H new ATOM 0 HD2 PRO A 60 8.130 2.498 24.825 1.00 0.00 H new ATOM 0 HD3 PRO A 60 9.232 1.147 25.005 1.00 0.00 H new ATOM 981 N LEU A 61 4.053 -0.014 23.689 1.00 0.00 N ATOM 982 CA LEU A 61 2.905 0.406 22.887 1.00 0.00 C ATOM 983 C LEU A 61 1.904 1.224 23.694 1.00 0.00 C ATOM 984 O LEU A 61 1.120 1.991 23.138 1.00 0.00 O ATOM 985 CB LEU A 61 2.214 -0.794 22.241 1.00 0.00 C ATOM 986 CG LEU A 61 2.769 -1.247 20.884 1.00 0.00 C ATOM 987 CD1 LEU A 61 4.195 -1.734 20.983 1.00 0.00 C ATOM 988 CD2 LEU A 61 1.864 -2.314 20.291 1.00 0.00 C ATOM 0 H LEU A 61 4.192 -1.024 23.728 1.00 0.00 H new ATOM 0 HA LEU A 61 3.294 1.050 22.099 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.271 -1.635 22.932 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.158 -0.555 22.116 1.00 0.00 H new ATOM 0 HG LEU A 61 2.784 -0.382 20.221 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.543 -2.043 19.998 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.829 -0.930 21.356 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.244 -2.581 21.667 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.261 -2.633 19.327 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.818 -3.169 20.966 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.862 -1.906 20.154 1.00 0.00 H new ATOM 1000 N SER A 62 1.956 1.053 25.008 1.00 0.00 N ATOM 1001 CA SER A 62 1.068 1.772 25.922 1.00 0.00 C ATOM 1002 C SER A 62 1.200 3.286 25.802 1.00 0.00 C ATOM 1003 O SER A 62 0.290 4.031 26.186 1.00 0.00 O ATOM 1004 CB SER A 62 1.331 1.327 27.353 1.00 0.00 C ATOM 1005 OG SER A 62 2.718 1.242 27.617 1.00 0.00 O ATOM 0 H SER A 62 2.607 0.419 25.471 1.00 0.00 H new ATOM 0 HA SER A 62 0.044 1.525 25.642 1.00 0.00 H new ATOM 0 HB2 SER A 62 0.869 2.030 28.046 1.00 0.00 H new ATOM 0 HB3 SER A 62 0.865 0.357 27.526 1.00 0.00 H new ATOM 0 HG SER A 62 2.858 0.956 28.544 1.00 0.00 H new ATOM 1011 N LEU A 63 2.326 3.765 25.258 1.00 0.00 N ATOM 1012 CA LEU A 63 2.526 5.186 25.079 1.00 0.00 C ATOM 1013 C LEU A 63 1.609 5.717 23.969 1.00 0.00 C ATOM 1014 O LEU A 63 1.303 6.901 23.929 1.00 0.00 O ATOM 1015 CB LEU A 63 4.016 5.523 24.815 1.00 0.00 C ATOM 1016 CG LEU A 63 4.644 4.955 23.524 1.00 0.00 C ATOM 1017 CD1 LEU A 63 4.320 5.804 22.307 1.00 0.00 C ATOM 1018 CD2 LEU A 63 6.150 4.833 23.680 1.00 0.00 C ATOM 0 H LEU A 63 3.101 3.183 24.940 1.00 0.00 H new ATOM 0 HA LEU A 63 2.255 5.691 26.006 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.119 6.608 24.793 1.00 0.00 H new ATOM 0 HB3 LEU A 63 4.600 5.164 25.662 1.00 0.00 H new ATOM 0 HG LEU A 63 4.211 3.968 23.364 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.783 5.365 21.423 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.240 5.844 22.168 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.704 6.813 22.455 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.579 4.431 22.762 1.00 0.00 H new ATOM 0 HD22 LEU A 63 6.576 5.816 23.880 1.00 0.00 H new ATOM 0 HD23 LEU A 63 6.377 4.164 24.510 1.00 0.00 H new ATOM 1030 N ARG A 64 1.155 4.821 23.105 1.00 0.00 N ATOM 1031 CA ARG A 64 0.249 5.219 22.030 1.00 0.00 C ATOM 1032 C ARG A 64 -1.163 5.430 22.591 1.00 0.00 C ATOM 1033 O ARG A 64 -1.933 6.235 22.067 1.00 0.00 O ATOM 1034 CB ARG A 64 0.206 4.175 20.901 1.00 0.00 C ATOM 1035 CG ARG A 64 1.545 3.992 20.194 1.00 0.00 C ATOM 1036 CD ARG A 64 1.391 3.210 18.896 1.00 0.00 C ATOM 1037 NE ARG A 64 0.443 3.852 17.995 1.00 0.00 N ATOM 1038 CZ ARG A 64 -0.348 3.212 17.129 1.00 0.00 C ATOM 1039 NH1 ARG A 64 -0.232 1.887 16.978 1.00 0.00 N ATOM 1040 NH2 ARG A 64 -1.253 3.880 16.435 1.00 0.00 N ATOM 0 H ARG A 64 1.392 3.829 23.123 1.00 0.00 H new ATOM 0 HA ARG A 64 0.625 6.151 21.609 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -0.113 3.218 21.313 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -0.545 4.473 20.169 1.00 0.00 H new ATOM 0 HG2 ARG A 64 1.982 4.968 19.982 1.00 0.00 H new ATOM 0 HG3 ARG A 64 2.237 3.470 20.854 1.00 0.00 H new ATOM 0 HD2 ARG A 64 2.360 3.124 18.405 1.00 0.00 H new ATOM 0 HD3 ARG A 64 1.055 2.197 19.118 1.00 0.00 H new ATOM 0 HE ARG A 64 0.378 4.869 18.028 1.00 0.00 H new ATOM 0 HH11 ARG A 64 0.458 1.370 17.523 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -0.834 1.394 16.318 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -1.349 4.888 16.560 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -1.855 3.388 15.775 1.00 0.00 H new ATOM 1054 N GLN A 65 -1.474 4.725 23.680 1.00 0.00 N ATOM 1055 CA GLN A 65 -2.749 4.938 24.376 1.00 0.00 C ATOM 1056 C GLN A 65 -2.688 6.206 25.207 1.00 0.00 C ATOM 1057 O GLN A 65 -3.710 6.759 25.585 1.00 0.00 O ATOM 1058 CB GLN A 65 -3.107 3.733 25.242 1.00 0.00 C ATOM 1059 CG GLN A 65 -3.732 2.578 24.491 1.00 0.00 C ATOM 1060 CD GLN A 65 -2.797 1.900 23.494 1.00 0.00 C ATOM 1061 OE1 GLN A 65 -1.596 1.837 23.724 1.00 0.00 O ATOM 1062 NE2 GLN A 65 -3.337 1.459 22.384 1.00 0.00 N ATOM 0 H GLN A 65 -0.874 4.013 24.096 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.535 5.053 23.629 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -2.204 3.379 25.739 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.795 4.056 26.023 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.077 1.836 25.211 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -4.612 2.939 23.959 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -4.344 1.535 22.241 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -2.750 1.040 21.663 1.00 0.00 H new ATOM 1071 N HIS A 66 -1.479 6.673 25.494 1.00 0.00 N ATOM 1072 CA HIS A 66 -1.300 7.936 26.180 1.00 0.00 C ATOM 1073 C HIS A 66 -1.524 9.075 25.165 1.00 0.00 C ATOM 1074 O HIS A 66 -1.968 10.158 25.508 1.00 0.00 O ATOM 1075 CB HIS A 66 0.093 8.026 26.810 1.00 0.00 C ATOM 1076 CG HIS A 66 0.243 9.132 27.816 1.00 0.00 C ATOM 1077 ND1 HIS A 66 0.177 8.937 29.182 1.00 0.00 N ATOM 1078 CD2 HIS A 66 0.469 10.449 27.643 1.00 0.00 C ATOM 1079 CE1 HIS A 66 0.343 10.086 29.805 1.00 0.00 C ATOM 1080 NE2 HIS A 66 0.526 11.024 28.891 1.00 0.00 N ATOM 0 H HIS A 66 -0.611 6.192 25.260 1.00 0.00 H new ATOM 0 HA HIS A 66 -2.022 8.020 26.992 1.00 0.00 H new ATOM 0 HB2 HIS A 66 0.323 7.077 27.293 1.00 0.00 H new ATOM 0 HB3 HIS A 66 0.829 8.167 26.019 1.00 0.00 H new ATOM 0 HD2 HIS A 66 0.584 10.959 26.698 1.00 0.00 H new ATOM 0 HE1 HIS A 66 0.332 10.236 30.875 1.00 0.00 H new ATOM 0 HE2 HIS A 66 0.684 12.014 29.081 1.00 0.00 H new ATOM 1089 N MET A 67 -1.210 8.788 23.909 1.00 0.00 N ATOM 1090 CA MET A 67 -1.474 9.709 22.807 1.00 0.00 C ATOM 1091 C MET A 67 -2.963 9.705 22.488 1.00 0.00 C ATOM 1092 O MET A 67 -3.521 10.702 22.023 1.00 0.00 O ATOM 1093 CB MET A 67 -0.682 9.325 21.561 1.00 0.00 C ATOM 1094 CG MET A 67 0.824 9.312 21.748 1.00 0.00 C ATOM 1095 SD MET A 67 1.507 10.954 22.004 1.00 0.00 S ATOM 1096 CE MET A 67 1.032 11.752 20.475 1.00 0.00 C ATOM 0 H MET A 67 -0.767 7.915 23.624 1.00 0.00 H new ATOM 0 HA MET A 67 -1.161 10.707 23.113 1.00 0.00 H new ATOM 0 HB2 MET A 67 -1.003 8.336 21.233 1.00 0.00 H new ATOM 0 HB3 MET A 67 -0.929 10.022 20.760 1.00 0.00 H new ATOM 0 HG2 MET A 67 1.074 8.682 22.602 1.00 0.00 H new ATOM 0 HG3 MET A 67 1.291 8.862 20.872 1.00 0.00 H new ATOM 0 HE1 MET A 67 1.694 12.597 20.285 1.00 0.00 H new ATOM 0 HE2 MET A 67 1.108 11.039 19.654 1.00 0.00 H new ATOM 0 HE3 MET A 67 0.004 12.106 20.554 1.00 0.00 H new ATOM 1106 N ASP A 68 -3.606 8.569 22.737 1.00 0.00 N ATOM 1107 CA ASP A 68 -5.036 8.422 22.521 1.00 0.00 C ATOM 1108 C ASP A 68 -5.813 9.193 23.574 1.00 0.00 C ATOM 1109 O ASP A 68 -5.785 8.847 24.758 1.00 0.00 O ATOM 1110 CB ASP A 68 -5.421 6.937 22.559 1.00 0.00 C ATOM 1111 CG ASP A 68 -6.840 6.665 22.104 1.00 0.00 C ATOM 1112 OD1 ASP A 68 -7.765 6.716 22.942 1.00 0.00 O ATOM 1113 OD2 ASP A 68 -7.035 6.374 20.908 1.00 0.00 O ATOM 0 H ASP A 68 -3.150 7.729 23.093 1.00 0.00 H new ATOM 0 HA ASP A 68 -5.286 8.828 21.541 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.732 6.376 21.927 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.297 6.564 23.576 1.00 0.00 H new ATOM 1118 N LYS A 69 -6.498 10.249 23.142 1.00 0.00 N ATOM 1119 CA LYS A 69 -7.142 11.186 24.065 1.00 0.00 C ATOM 1120 C LYS A 69 -8.625 11.299 23.784 1.00 0.00 C ATOM 1121 O LYS A 69 -9.162 10.593 22.923 1.00 0.00 O ATOM 1122 CB LYS A 69 -6.483 12.570 23.948 1.00 0.00 C ATOM 1123 CG LYS A 69 -5.000 12.568 24.312 1.00 0.00 C ATOM 1124 CD LYS A 69 -4.366 13.918 24.061 1.00 0.00 C ATOM 1125 CE LYS A 69 -4.934 14.989 24.992 1.00 0.00 C ATOM 1126 NZ LYS A 69 -4.697 14.668 26.415 1.00 0.00 N ATOM 0 H LYS A 69 -6.623 10.479 22.156 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.015 10.805 25.078 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.598 12.934 22.927 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.008 13.270 24.598 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -4.882 12.299 25.362 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -4.482 11.807 23.728 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -3.288 13.846 24.203 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -4.532 14.211 23.024 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -4.480 15.952 24.757 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -6.005 15.091 24.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -4.861 15.516 26.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -5.347 13.913 26.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -3.715 14.348 26.540 1.00 0.00 H new ATOM 1140 N ALA A 70 -9.291 12.210 24.500 1.00 0.00 N ATOM 1141 CA ALA A 70 -10.728 12.456 24.371 1.00 0.00 C ATOM 1142 C ALA A 70 -11.557 11.205 24.662 1.00 0.00 C ATOM 1143 O ALA A 70 -12.045 11.023 25.777 1.00 0.00 O ATOM 1144 CB ALA A 70 -11.069 13.017 22.999 1.00 0.00 C ATOM 0 H ALA A 70 -8.840 12.805 25.195 1.00 0.00 H new ATOM 0 HA ALA A 70 -10.988 13.201 25.123 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -12.143 13.189 22.933 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -10.541 13.958 22.849 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -10.768 12.306 22.230 1.00 0.00 H new ATOM 1150 N ALA A 71 -11.679 10.338 23.663 1.00 0.00 N ATOM 1151 CA ALA A 71 -12.444 9.102 23.790 1.00 0.00 C ATOM 1152 C ALA A 71 -11.670 8.064 24.593 1.00 0.00 C ATOM 1153 O ALA A 71 -12.214 7.012 24.931 1.00 0.00 O ATOM 1154 CB ALA A 71 -12.806 8.555 22.429 1.00 0.00 C ATOM 0 H ALA A 71 -11.253 10.471 22.746 1.00 0.00 H new ATOM 0 HA ALA A 71 -13.365 9.330 24.326 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -13.376 7.633 22.547 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -13.408 9.287 21.891 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -11.896 8.349 21.866 1.00 0.00 H new ATOM 1160 N GLY A 72 -10.399 8.345 24.871 1.00 0.00 N ATOM 1161 CA GLY A 72 -9.611 7.453 25.685 1.00 0.00 C ATOM 1162 C GLY A 72 -9.526 7.913 27.131 1.00 0.00 C ATOM 1163 O GLY A 72 -10.397 7.523 27.941 1.00 0.00 O ATOM 1164 OXT GLY A 72 -8.608 8.706 27.458 1.00 0.00 O ATOM 0 H GLY A 72 -9.906 9.176 24.544 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -10.045 6.454 25.649 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -8.606 7.379 25.270 1.00 0.00 H new TER 1168 GLY A 72