USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 889 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: B 107 ASN : amide:sc= -1.75! C(o=-1.4!,f=-4.5!) USER MOD Set 1.2: B 111 LYS NZ :NH3+ -154:sc= 0.355 (180deg=-1) USER MOD Set 2.1: B 106 GLN : amide:sc= -0.607 X(o=-0.58,f=-0.32) USER MOD Set 2.2: B 110 TYR OH : rot -62:sc= 0.0303 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -160:sc= 1.13 (180deg=0.566) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.116 USER MOD Single : A 7 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0386) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -1.65! C(o=-1.6!,f=-6.6!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 82:sc= 0.611 USER MOD Single : A 20 ASN : amide:sc= -0.333 K(o=-0.33,f=-4.7!) USER MOD Single : A 22 GLN : amide:sc= -2.06! K(o=-2.1!,f=0) USER MOD Single : A 24 GLN : amide:sc= -1.29 K(o=-1.3,f=-0.21) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 30 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0713) USER MOD Single : A 33 LYS NZ :NH3+ -169:sc= -0.021 (180deg=-0.171) USER MOD Single : A 39 GLN : amide:sc= -0.937 K(o=-0.94,f=0) USER MOD Single : A 48 LYS NZ :NH3+ -169:sc= 1.11 (180deg=0.935) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.0886 USER MOD Single : A 53 ASN : amide:sc= -0.0218 X(o=-0.022,f=0) USER MOD Single : B 88 SER OG : rot 180:sc= 0 USER MOD Single : B 100 GLN : amide:sc= 0.863 K(o=0.86,f=-0.3) USER MOD Single : B 101 TYR OH : rot 180:sc= 0 USER MOD Single : B 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 115 GLN : amide:sc= -0.826 K(o=-0.83,f=0) USER MOD Single : B 123 LYS NZ :NH3+ -157:sc= -1.33 (180deg=-1.99!) USER MOD Single : B 130 SER OG : rot -28:sc= 0.43 USER MOD Single : B 133 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 28.662 -5.170 9.022 1.00 0.00 N ATOM 2 CA MET A 1 28.699 -3.997 9.920 1.00 0.00 C ATOM 3 C MET A 1 28.804 -2.713 9.105 1.00 0.00 C ATOM 4 O MET A 1 29.531 -2.658 8.112 1.00 0.00 O ATOM 5 CB MET A 1 29.874 -4.097 10.908 1.00 0.00 C ATOM 6 CG MET A 1 31.256 -4.011 10.267 1.00 0.00 C ATOM 7 SD MET A 1 31.594 -5.366 9.123 1.00 0.00 S ATOM 8 CE MET A 1 33.269 -4.974 8.626 1.00 0.00 C ATOM 0 H1 MET A 1 28.260 -5.983 9.530 1.00 0.00 H new ATOM 0 H2 MET A 1 28.073 -4.954 8.193 1.00 0.00 H new ATOM 0 H3 MET A 1 29.627 -5.399 8.711 1.00 0.00 H new ATOM 0 HA MET A 1 27.772 -3.978 10.494 1.00 0.00 H new ATOM 0 HB2 MET A 1 29.780 -3.299 11.645 1.00 0.00 H new ATOM 0 HB3 MET A 1 29.797 -5.041 11.448 1.00 0.00 H new ATOM 0 HG2 MET A 1 31.344 -3.064 9.735 1.00 0.00 H new ATOM 0 HG3 MET A 1 32.014 -4.008 11.051 1.00 0.00 H new ATOM 0 HE1 MET A 1 33.623 -5.722 7.916 1.00 0.00 H new ATOM 0 HE2 MET A 1 33.288 -3.991 8.156 1.00 0.00 H new ATOM 0 HE3 MET A 1 33.917 -4.970 9.502 1.00 0.00 H new ATOM 20 N ASP A 2 28.067 -1.691 9.515 1.00 0.00 N ATOM 21 CA ASP A 2 28.099 -0.404 8.832 1.00 0.00 C ATOM 22 C ASP A 2 29.040 0.544 9.557 1.00 0.00 C ATOM 23 O ASP A 2 28.610 1.514 10.179 1.00 0.00 O ATOM 24 CB ASP A 2 26.699 0.216 8.748 1.00 0.00 C ATOM 25 CG ASP A 2 25.742 -0.612 7.918 1.00 0.00 C ATOM 26 OD1 ASP A 2 24.629 -0.908 8.405 1.00 0.00 O ATOM 27 OD2 ASP A 2 26.096 -0.981 6.778 1.00 0.00 O ATOM 0 H ASP A 2 27.439 -1.727 10.318 1.00 0.00 H new ATOM 0 HA ASP A 2 28.459 -0.569 7.817 1.00 0.00 H new ATOM 0 HB2 ASP A 2 26.296 0.330 9.754 1.00 0.00 H new ATOM 0 HB3 ASP A 2 26.774 1.215 8.320 1.00 0.00 H new ATOM 32 N SER A 3 30.328 0.247 9.486 1.00 0.00 N ATOM 33 CA SER A 3 31.326 1.039 10.180 1.00 0.00 C ATOM 34 C SER A 3 32.095 1.932 9.210 1.00 0.00 C ATOM 35 O SER A 3 32.645 2.961 9.605 1.00 0.00 O ATOM 36 CB SER A 3 32.273 0.115 10.938 1.00 0.00 C ATOM 37 OG SER A 3 31.541 -0.725 11.821 1.00 0.00 O ATOM 0 H SER A 3 30.705 -0.537 8.954 1.00 0.00 H new ATOM 0 HA SER A 3 30.822 1.693 10.892 1.00 0.00 H new ATOM 0 HB2 SER A 3 32.840 -0.493 10.233 1.00 0.00 H new ATOM 0 HB3 SER A 3 32.995 0.706 11.502 1.00 0.00 H new ATOM 0 HG SER A 3 32.160 -1.314 12.300 1.00 0.00 H new ATOM 43 N ALA A 4 32.135 1.540 7.943 1.00 0.00 N ATOM 44 CA ALA A 4 32.713 2.385 6.910 1.00 0.00 C ATOM 45 C ALA A 4 31.696 3.443 6.515 1.00 0.00 C ATOM 46 O ALA A 4 32.036 4.601 6.265 1.00 0.00 O ATOM 47 CB ALA A 4 33.139 1.560 5.705 1.00 0.00 C ATOM 0 H ALA A 4 31.775 0.646 7.608 1.00 0.00 H new ATOM 0 HA ALA A 4 33.608 2.871 7.299 1.00 0.00 H new ATOM 0 HB1 ALA A 4 33.568 2.216 4.948 1.00 0.00 H new ATOM 0 HB2 ALA A 4 33.883 0.825 6.012 1.00 0.00 H new ATOM 0 HB3 ALA A 4 32.271 1.046 5.291 1.00 0.00 H new ATOM 53 N ILE A 5 30.440 3.020 6.463 1.00 0.00 N ATOM 54 CA ILE A 5 29.317 3.934 6.339 1.00 0.00 C ATOM 55 C ILE A 5 29.110 4.625 7.680 1.00 0.00 C ATOM 56 O ILE A 5 29.138 3.966 8.720 1.00 0.00 O ATOM 57 CB ILE A 5 28.026 3.175 5.961 1.00 0.00 C ATOM 58 CG1 ILE A 5 28.240 2.352 4.689 1.00 0.00 C ATOM 59 CG2 ILE A 5 26.867 4.142 5.778 1.00 0.00 C ATOM 60 CD1 ILE A 5 27.071 1.452 4.353 1.00 0.00 C ATOM 0 H ILE A 5 30.173 2.036 6.506 1.00 0.00 H new ATOM 0 HA ILE A 5 29.533 4.659 5.554 1.00 0.00 H new ATOM 0 HB ILE A 5 27.780 2.495 6.777 1.00 0.00 H new ATOM 0 HG12 ILE A 5 28.420 3.028 3.853 1.00 0.00 H new ATOM 0 HG13 ILE A 5 29.136 1.743 4.805 1.00 0.00 H new ATOM 0 HG21 ILE A 5 25.968 3.586 5.512 1.00 0.00 H new ATOM 0 HG22 ILE A 5 26.696 4.685 6.707 1.00 0.00 H new ATOM 0 HG23 ILE A 5 27.105 4.849 4.983 1.00 0.00 H new ATOM 0 HD11 ILE A 5 27.289 0.898 3.440 1.00 0.00 H new ATOM 0 HD12 ILE A 5 26.904 0.752 5.172 1.00 0.00 H new ATOM 0 HD13 ILE A 5 26.177 2.057 4.205 1.00 0.00 H new ATOM 72 N SER A 6 28.917 5.935 7.681 1.00 0.00 N ATOM 73 CA SER A 6 28.764 6.646 8.934 1.00 0.00 C ATOM 74 C SER A 6 27.290 6.766 9.283 1.00 0.00 C ATOM 75 O SER A 6 26.431 6.455 8.451 1.00 0.00 O ATOM 76 CB SER A 6 29.417 8.031 8.857 1.00 0.00 C ATOM 77 OG SER A 6 29.389 8.687 10.112 1.00 0.00 O ATOM 0 H SER A 6 28.864 6.515 6.844 1.00 0.00 H new ATOM 0 HA SER A 6 29.267 6.082 9.720 1.00 0.00 H new ATOM 0 HB2 SER A 6 30.449 7.930 8.521 1.00 0.00 H new ATOM 0 HB3 SER A 6 28.898 8.639 8.116 1.00 0.00 H new ATOM 0 HG SER A 6 29.814 9.566 10.031 1.00 0.00 H new ATOM 83 N LYS A 7 26.992 7.210 10.498 1.00 0.00 N ATOM 84 CA LYS A 7 25.614 7.438 10.902 1.00 0.00 C ATOM 85 C LYS A 7 24.956 8.406 9.925 1.00 0.00 C ATOM 86 O LYS A 7 23.750 8.358 9.702 1.00 0.00 O ATOM 87 CB LYS A 7 25.554 7.994 12.325 1.00 0.00 C ATOM 88 CG LYS A 7 24.157 7.977 12.922 1.00 0.00 C ATOM 89 CD LYS A 7 24.119 8.606 14.305 1.00 0.00 C ATOM 90 CE LYS A 7 25.099 7.942 15.265 1.00 0.00 C ATOM 91 NZ LYS A 7 24.810 6.494 15.455 1.00 0.00 N ATOM 0 H LYS A 7 27.685 7.418 11.217 1.00 0.00 H new ATOM 0 HA LYS A 7 25.077 6.490 10.888 1.00 0.00 H new ATOM 0 HB2 LYS A 7 26.220 7.413 12.962 1.00 0.00 H new ATOM 0 HB3 LYS A 7 25.928 9.018 12.323 1.00 0.00 H new ATOM 0 HG2 LYS A 7 23.475 8.512 12.262 1.00 0.00 H new ATOM 0 HG3 LYS A 7 23.801 6.948 12.982 1.00 0.00 H new ATOM 0 HD2 LYS A 7 24.353 9.668 14.226 1.00 0.00 H new ATOM 0 HD3 LYS A 7 23.109 8.531 14.709 1.00 0.00 H new ATOM 0 HE2 LYS A 7 26.114 8.061 14.885 1.00 0.00 H new ATOM 0 HE3 LYS A 7 25.059 8.448 16.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 25.448 6.105 16.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 23.824 6.374 15.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 24.957 5.990 14.557 1.00 0.00 H new ATOM 105 N GLU A 8 25.790 9.260 9.335 1.00 0.00 N ATOM 106 CA GLU A 8 25.380 10.169 8.276 1.00 0.00 C ATOM 107 C GLU A 8 24.537 9.455 7.228 1.00 0.00 C ATOM 108 O GLU A 8 23.349 9.734 7.072 1.00 0.00 O ATOM 109 CB GLU A 8 26.625 10.751 7.605 1.00 0.00 C ATOM 110 CG GLU A 8 27.436 11.659 8.512 1.00 0.00 C ATOM 111 CD GLU A 8 26.643 12.858 8.980 1.00 0.00 C ATOM 112 OE1 GLU A 8 26.671 13.901 8.298 1.00 0.00 O ATOM 113 OE2 GLU A 8 25.987 12.767 10.035 1.00 0.00 O ATOM 0 H GLU A 8 26.776 9.338 9.583 1.00 0.00 H new ATOM 0 HA GLU A 8 24.777 10.962 8.719 1.00 0.00 H new ATOM 0 HB2 GLU A 8 27.259 9.933 7.263 1.00 0.00 H new ATOM 0 HB3 GLU A 8 26.322 11.311 6.720 1.00 0.00 H new ATOM 0 HG2 GLU A 8 27.779 11.092 9.378 1.00 0.00 H new ATOM 0 HG3 GLU A 8 28.325 11.999 7.981 1.00 0.00 H new ATOM 120 N ASP A 9 25.160 8.513 6.533 1.00 0.00 N ATOM 121 CA ASP A 9 24.511 7.811 5.435 1.00 0.00 C ATOM 122 C ASP A 9 23.509 6.793 5.940 1.00 0.00 C ATOM 123 O ASP A 9 22.528 6.485 5.264 1.00 0.00 O ATOM 124 CB ASP A 9 25.551 7.131 4.549 1.00 0.00 C ATOM 125 CG ASP A 9 26.234 8.104 3.620 1.00 0.00 C ATOM 126 OD1 ASP A 9 25.562 8.660 2.732 1.00 0.00 O ATOM 127 OD2 ASP A 9 27.452 8.315 3.766 1.00 0.00 O ATOM 0 H ASP A 9 26.119 8.216 6.712 1.00 0.00 H new ATOM 0 HA ASP A 9 23.969 8.550 4.845 1.00 0.00 H new ATOM 0 HB2 ASP A 9 26.298 6.645 5.177 1.00 0.00 H new ATOM 0 HB3 ASP A 9 25.070 6.348 3.962 1.00 0.00 H new ATOM 132 N GLU A 10 23.757 6.278 7.130 1.00 0.00 N ATOM 133 CA GLU A 10 22.848 5.333 7.750 1.00 0.00 C ATOM 134 C GLU A 10 21.485 5.982 7.979 1.00 0.00 C ATOM 135 O GLU A 10 20.468 5.508 7.470 1.00 0.00 O ATOM 136 CB GLU A 10 23.442 4.833 9.066 1.00 0.00 C ATOM 137 CG GLU A 10 22.537 3.883 9.820 1.00 0.00 C ATOM 138 CD GLU A 10 23.217 3.273 11.027 1.00 0.00 C ATOM 139 OE1 GLU A 10 24.078 2.385 10.852 1.00 0.00 O ATOM 140 OE2 GLU A 10 22.891 3.675 12.162 1.00 0.00 O ATOM 0 H GLU A 10 24.582 6.499 7.687 1.00 0.00 H new ATOM 0 HA GLU A 10 22.708 4.480 7.086 1.00 0.00 H new ATOM 0 HB2 GLU A 10 24.388 4.333 8.860 1.00 0.00 H new ATOM 0 HB3 GLU A 10 23.666 5.689 9.702 1.00 0.00 H new ATOM 0 HG2 GLU A 10 21.642 4.416 10.141 1.00 0.00 H new ATOM 0 HG3 GLU A 10 22.211 3.088 9.150 1.00 0.00 H new ATOM 147 N GLU A 11 21.478 7.078 8.730 1.00 0.00 N ATOM 148 CA GLU A 11 20.266 7.849 8.975 1.00 0.00 C ATOM 149 C GLU A 11 19.604 8.304 7.673 1.00 0.00 C ATOM 150 O GLU A 11 18.384 8.435 7.612 1.00 0.00 O ATOM 151 CB GLU A 11 20.579 9.060 9.853 1.00 0.00 C ATOM 152 CG GLU A 11 21.006 8.684 11.262 1.00 0.00 C ATOM 153 CD GLU A 11 19.869 8.104 12.080 1.00 0.00 C ATOM 154 OE1 GLU A 11 19.575 6.903 11.922 1.00 0.00 O ATOM 155 OE2 GLU A 11 19.264 8.845 12.887 1.00 0.00 O ATOM 0 H GLU A 11 22.310 7.455 9.184 1.00 0.00 H new ATOM 0 HA GLU A 11 19.563 7.196 9.493 1.00 0.00 H new ATOM 0 HB2 GLU A 11 21.370 9.645 9.385 1.00 0.00 H new ATOM 0 HB3 GLU A 11 19.698 9.700 9.906 1.00 0.00 H new ATOM 0 HG2 GLU A 11 21.818 7.959 11.210 1.00 0.00 H new ATOM 0 HG3 GLU A 11 21.398 9.567 11.767 1.00 0.00 H new ATOM 162 N ARG A 12 20.404 8.549 6.635 1.00 0.00 N ATOM 163 CA ARG A 12 19.856 8.926 5.330 1.00 0.00 C ATOM 164 C ARG A 12 18.967 7.817 4.788 1.00 0.00 C ATOM 165 O ARG A 12 17.824 8.056 4.399 1.00 0.00 O ATOM 166 CB ARG A 12 20.969 9.221 4.316 1.00 0.00 C ATOM 167 CG ARG A 12 21.786 10.459 4.631 1.00 0.00 C ATOM 168 CD ARG A 12 22.913 10.658 3.627 1.00 0.00 C ATOM 169 NE ARG A 12 22.428 11.075 2.312 1.00 0.00 N ATOM 170 CZ ARG A 12 23.184 11.089 1.214 1.00 0.00 C ATOM 171 NH1 ARG A 12 24.398 10.552 1.232 1.00 0.00 N ATOM 172 NH2 ARG A 12 22.709 11.595 0.082 1.00 0.00 N ATOM 0 H ARG A 12 21.422 8.494 6.670 1.00 0.00 H new ATOM 0 HA ARG A 12 19.268 9.832 5.474 1.00 0.00 H new ATOM 0 HB2 ARG A 12 21.637 8.361 4.267 1.00 0.00 H new ATOM 0 HB3 ARG A 12 20.524 9.335 3.328 1.00 0.00 H new ATOM 0 HG2 ARG A 12 21.137 11.334 4.628 1.00 0.00 H new ATOM 0 HG3 ARG A 12 22.203 10.375 5.635 1.00 0.00 H new ATOM 0 HD2 ARG A 12 23.606 11.407 4.009 1.00 0.00 H new ATOM 0 HD3 ARG A 12 23.473 9.728 3.526 1.00 0.00 H new ATOM 0 HE ARG A 12 21.456 11.372 2.230 1.00 0.00 H new ATOM 0 HH11 ARG A 12 24.755 10.127 2.088 1.00 0.00 H new ATOM 0 HH12 ARG A 12 24.974 10.564 0.390 1.00 0.00 H new ATOM 0 HH21 ARG A 12 21.763 11.975 0.051 1.00 0.00 H new ATOM 0 HH22 ARG A 12 23.290 11.604 -0.756 1.00 0.00 H new ATOM 186 N TYR A 13 19.496 6.600 4.787 1.00 0.00 N ATOM 187 CA TYR A 13 18.789 5.461 4.234 1.00 0.00 C ATOM 188 C TYR A 13 17.654 5.014 5.149 1.00 0.00 C ATOM 189 O TYR A 13 16.512 4.890 4.711 1.00 0.00 O ATOM 190 CB TYR A 13 19.766 4.309 3.999 1.00 0.00 C ATOM 191 CG TYR A 13 19.107 3.053 3.483 1.00 0.00 C ATOM 192 CD1 TYR A 13 19.218 1.855 4.175 1.00 0.00 C ATOM 193 CD2 TYR A 13 18.369 3.070 2.309 1.00 0.00 C ATOM 194 CE1 TYR A 13 18.612 0.704 3.707 1.00 0.00 C ATOM 195 CE2 TYR A 13 17.759 1.925 1.834 1.00 0.00 C ATOM 196 CZ TYR A 13 17.883 0.744 2.537 1.00 0.00 C ATOM 197 OH TYR A 13 17.279 -0.401 2.067 1.00 0.00 O ATOM 0 H TYR A 13 20.417 6.380 5.166 1.00 0.00 H new ATOM 0 HA TYR A 13 18.350 5.761 3.283 1.00 0.00 H new ATOM 0 HB2 TYR A 13 20.527 4.629 3.287 1.00 0.00 H new ATOM 0 HB3 TYR A 13 20.279 4.082 4.934 1.00 0.00 H new ATOM 0 HD1 TYR A 13 19.786 1.822 5.093 1.00 0.00 H new ATOM 0 HD2 TYR A 13 18.270 3.993 1.757 1.00 0.00 H new ATOM 0 HE1 TYR A 13 18.709 -0.222 4.255 1.00 0.00 H new ATOM 0 HE2 TYR A 13 17.188 1.954 0.918 1.00 0.00 H new ATOM 0 HH TYR A 13 16.804 -0.202 1.233 1.00 0.00 H new ATOM 207 N GLN A 14 17.972 4.791 6.418 1.00 0.00 N ATOM 208 CA GLN A 14 17.006 4.269 7.382 1.00 0.00 C ATOM 209 C GLN A 14 15.756 5.124 7.447 1.00 0.00 C ATOM 210 O GLN A 14 14.646 4.639 7.244 1.00 0.00 O ATOM 211 CB GLN A 14 17.630 4.205 8.770 1.00 0.00 C ATOM 212 CG GLN A 14 18.762 3.207 8.887 1.00 0.00 C ATOM 213 CD GLN A 14 18.302 1.769 8.730 1.00 0.00 C ATOM 214 OE1 GLN A 14 17.344 1.475 8.012 1.00 0.00 O ATOM 215 NE2 GLN A 14 18.980 0.865 9.406 1.00 0.00 N ATOM 0 H GLN A 14 18.898 4.965 6.808 1.00 0.00 H new ATOM 0 HA GLN A 14 16.726 3.270 7.048 1.00 0.00 H new ATOM 0 HB2 GLN A 14 18.002 5.194 9.037 1.00 0.00 H new ATOM 0 HB3 GLN A 14 16.857 3.949 9.494 1.00 0.00 H new ATOM 0 HG2 GLN A 14 19.513 3.427 8.129 1.00 0.00 H new ATOM 0 HG3 GLN A 14 19.244 3.325 9.857 1.00 0.00 H new ATOM 0 HE21 GLN A 14 19.767 1.149 9.989 1.00 0.00 H new ATOM 0 HE22 GLN A 14 18.718 -0.119 9.346 1.00 0.00 H new ATOM 224 N LYS A 15 15.942 6.398 7.739 1.00 0.00 N ATOM 225 CA LYS A 15 14.829 7.324 7.855 1.00 0.00 C ATOM 226 C LYS A 15 14.020 7.393 6.560 1.00 0.00 C ATOM 227 O LYS A 15 12.822 7.650 6.588 1.00 0.00 O ATOM 228 CB LYS A 15 15.327 8.715 8.249 1.00 0.00 C ATOM 229 CG LYS A 15 16.020 8.753 9.604 1.00 0.00 C ATOM 230 CD LYS A 15 15.083 8.367 10.741 1.00 0.00 C ATOM 231 CE LYS A 15 13.896 9.308 10.829 1.00 0.00 C ATOM 232 NZ LYS A 15 13.079 9.066 12.048 1.00 0.00 N ATOM 0 H LYS A 15 16.858 6.817 7.901 1.00 0.00 H new ATOM 0 HA LYS A 15 14.170 6.952 8.639 1.00 0.00 H new ATOM 0 HB2 LYS A 15 16.018 9.074 7.486 1.00 0.00 H new ATOM 0 HB3 LYS A 15 14.482 9.404 8.263 1.00 0.00 H new ATOM 0 HG2 LYS A 15 16.873 8.075 9.593 1.00 0.00 H new ATOM 0 HG3 LYS A 15 16.411 9.755 9.782 1.00 0.00 H new ATOM 0 HD2 LYS A 15 14.729 7.347 10.592 1.00 0.00 H new ATOM 0 HD3 LYS A 15 15.629 8.380 11.684 1.00 0.00 H new ATOM 0 HE2 LYS A 15 14.250 10.339 10.829 1.00 0.00 H new ATOM 0 HE3 LYS A 15 13.271 9.186 9.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 12.279 9.731 12.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 12.718 8.091 12.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 13.667 9.207 12.894 1.00 0.00 H new ATOM 246 N LEU A 16 14.673 7.131 5.435 1.00 0.00 N ATOM 247 CA LEU A 16 14.009 7.165 4.139 1.00 0.00 C ATOM 248 C LEU A 16 13.077 5.969 3.980 1.00 0.00 C ATOM 249 O LEU A 16 11.907 6.122 3.621 1.00 0.00 O ATOM 250 CB LEU A 16 15.050 7.184 3.022 1.00 0.00 C ATOM 251 CG LEU A 16 14.517 7.468 1.619 1.00 0.00 C ATOM 252 CD1 LEU A 16 13.458 8.559 1.665 1.00 0.00 C ATOM 253 CD2 LEU A 16 15.666 7.876 0.722 1.00 0.00 C ATOM 0 H LEU A 16 15.664 6.892 5.394 1.00 0.00 H new ATOM 0 HA LEU A 16 13.408 8.073 4.077 1.00 0.00 H new ATOM 0 HB2 LEU A 16 15.801 7.936 3.264 1.00 0.00 H new ATOM 0 HB3 LEU A 16 15.558 6.220 3.009 1.00 0.00 H new ATOM 0 HG LEU A 16 14.053 6.567 1.218 1.00 0.00 H new ATOM 0 HD11 LEU A 16 13.088 8.750 0.658 1.00 0.00 H new ATOM 0 HD12 LEU A 16 12.632 8.238 2.300 1.00 0.00 H new ATOM 0 HD13 LEU A 16 13.894 9.472 2.071 1.00 0.00 H new ATOM 0 HD21 LEU A 16 15.290 8.080 -0.281 1.00 0.00 H new ATOM 0 HD22 LEU A 16 16.139 8.773 1.122 1.00 0.00 H new ATOM 0 HD23 LEU A 16 16.398 7.069 0.678 1.00 0.00 H new ATOM 265 N VAL A 17 13.594 4.781 4.264 1.00 0.00 N ATOM 266 CA VAL A 17 12.777 3.572 4.230 1.00 0.00 C ATOM 267 C VAL A 17 11.686 3.679 5.284 1.00 0.00 C ATOM 268 O VAL A 17 10.591 3.141 5.132 1.00 0.00 O ATOM 269 CB VAL A 17 13.619 2.297 4.472 1.00 0.00 C ATOM 270 CG1 VAL A 17 14.968 2.436 3.800 1.00 0.00 C ATOM 271 CG2 VAL A 17 13.782 1.997 5.959 1.00 0.00 C ATOM 0 H VAL A 17 14.569 4.627 4.519 1.00 0.00 H new ATOM 0 HA VAL A 17 12.337 3.487 3.236 1.00 0.00 H new ATOM 0 HB VAL A 17 13.087 1.453 4.033 1.00 0.00 H new ATOM 0 HG11 VAL A 17 15.556 1.535 3.974 1.00 0.00 H new ATOM 0 HG12 VAL A 17 14.828 2.576 2.728 1.00 0.00 H new ATOM 0 HG13 VAL A 17 15.493 3.297 4.213 1.00 0.00 H new ATOM 0 HG21 VAL A 17 14.379 1.094 6.085 1.00 0.00 H new ATOM 0 HG22 VAL A 17 14.282 2.834 6.446 1.00 0.00 H new ATOM 0 HG23 VAL A 17 12.801 1.849 6.410 1.00 0.00 H new ATOM 281 N THR A 18 12.013 4.406 6.342 1.00 0.00 N ATOM 282 CA THR A 18 11.107 4.687 7.416 1.00 0.00 C ATOM 283 C THR A 18 9.928 5.515 6.925 1.00 0.00 C ATOM 284 O THR A 18 8.777 5.190 7.203 1.00 0.00 O ATOM 285 CB THR A 18 11.871 5.433 8.514 1.00 0.00 C ATOM 286 OG1 THR A 18 12.657 4.518 9.282 1.00 0.00 O ATOM 287 CG2 THR A 18 10.936 6.208 9.400 1.00 0.00 C ATOM 0 H THR A 18 12.937 4.820 6.469 1.00 0.00 H new ATOM 0 HA THR A 18 10.708 3.753 7.813 1.00 0.00 H new ATOM 0 HB THR A 18 12.539 6.148 8.035 1.00 0.00 H new ATOM 0 HG1 THR A 18 13.495 4.330 8.810 1.00 0.00 H new ATOM 0 HG21 THR A 18 11.509 6.726 10.169 1.00 0.00 H new ATOM 0 HG22 THR A 18 10.389 6.937 8.802 1.00 0.00 H new ATOM 0 HG23 THR A 18 10.231 5.524 9.872 1.00 0.00 H new ATOM 295 N GLU A 19 10.226 6.575 6.179 1.00 0.00 N ATOM 296 CA GLU A 19 9.192 7.411 5.594 1.00 0.00 C ATOM 297 C GLU A 19 8.248 6.564 4.765 1.00 0.00 C ATOM 298 O GLU A 19 7.030 6.700 4.872 1.00 0.00 O ATOM 299 CB GLU A 19 9.819 8.510 4.737 1.00 0.00 C ATOM 300 CG GLU A 19 10.647 9.487 5.552 1.00 0.00 C ATOM 301 CD GLU A 19 11.176 10.642 4.727 1.00 0.00 C ATOM 302 OE1 GLU A 19 12.263 10.508 4.130 1.00 0.00 O ATOM 303 OE2 GLU A 19 10.507 11.699 4.684 1.00 0.00 O ATOM 0 H GLU A 19 11.178 6.873 5.967 1.00 0.00 H new ATOM 0 HA GLU A 19 8.625 7.883 6.396 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.449 8.054 3.973 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.031 9.054 4.217 1.00 0.00 H new ATOM 0 HG2 GLU A 19 10.039 9.878 6.368 1.00 0.00 H new ATOM 0 HG3 GLU A 19 11.485 8.956 6.004 1.00 0.00 H new ATOM 310 N ASN A 20 8.825 5.660 3.980 1.00 0.00 N ATOM 311 CA ASN A 20 8.052 4.730 3.171 1.00 0.00 C ATOM 312 C ASN A 20 7.100 3.908 4.030 1.00 0.00 C ATOM 313 O ASN A 20 5.933 3.750 3.683 1.00 0.00 O ATOM 314 CB ASN A 20 8.976 3.812 2.375 1.00 0.00 C ATOM 315 CG ASN A 20 9.524 4.490 1.141 1.00 0.00 C ATOM 316 OD1 ASN A 20 8.902 5.396 0.596 1.00 0.00 O ATOM 317 ND2 ASN A 20 10.677 4.042 0.680 1.00 0.00 N ATOM 0 H ASN A 20 9.835 5.553 3.888 1.00 0.00 H new ATOM 0 HA ASN A 20 7.455 5.316 2.472 1.00 0.00 H new ATOM 0 HB2 ASN A 20 9.802 3.491 3.009 1.00 0.00 H new ATOM 0 HB3 ASN A 20 8.431 2.914 2.083 1.00 0.00 H new ATOM 0 HD21 ASN A 20 11.084 4.452 -0.161 1.00 0.00 H new ATOM 0 HD22 ASN A 20 11.161 3.286 1.165 1.00 0.00 H new ATOM 324 N GLU A 21 7.596 3.399 5.154 1.00 0.00 N ATOM 325 CA GLU A 21 6.772 2.645 6.090 1.00 0.00 C ATOM 326 C GLU A 21 5.596 3.482 6.593 1.00 0.00 C ATOM 327 O GLU A 21 4.466 2.995 6.701 1.00 0.00 O ATOM 328 CB GLU A 21 7.628 2.211 7.270 1.00 0.00 C ATOM 329 CG GLU A 21 8.814 1.369 6.858 1.00 0.00 C ATOM 330 CD GLU A 21 8.448 -0.077 6.617 1.00 0.00 C ATOM 331 OE1 GLU A 21 8.107 -0.776 7.594 1.00 0.00 O ATOM 332 OE2 GLU A 21 8.509 -0.529 5.455 1.00 0.00 O ATOM 0 H GLU A 21 8.571 3.497 5.439 1.00 0.00 H new ATOM 0 HA GLU A 21 6.371 1.773 5.573 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.983 3.095 7.800 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.013 1.646 7.970 1.00 0.00 H new ATOM 0 HG2 GLU A 21 9.252 1.785 5.950 1.00 0.00 H new ATOM 0 HG3 GLU A 21 9.578 1.422 7.633 1.00 0.00 H new ATOM 339 N GLN A 22 5.871 4.746 6.883 1.00 0.00 N ATOM 340 CA GLN A 22 4.879 5.632 7.472 1.00 0.00 C ATOM 341 C GLN A 22 3.776 5.972 6.481 1.00 0.00 C ATOM 342 O GLN A 22 2.600 5.719 6.739 1.00 0.00 O ATOM 343 CB GLN A 22 5.531 6.928 7.955 1.00 0.00 C ATOM 344 CG GLN A 22 6.765 6.707 8.822 1.00 0.00 C ATOM 345 CD GLN A 22 7.241 7.972 9.509 1.00 0.00 C ATOM 346 OE1 GLN A 22 6.823 8.276 10.626 1.00 0.00 O ATOM 347 NE2 GLN A 22 8.118 8.716 8.854 1.00 0.00 N ATOM 0 H GLN A 22 6.778 5.182 6.719 1.00 0.00 H new ATOM 0 HA GLN A 22 4.441 5.104 8.319 1.00 0.00 H new ATOM 0 HB2 GLN A 22 5.809 7.529 7.089 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.799 7.504 8.521 1.00 0.00 H new ATOM 0 HG2 GLN A 22 6.542 5.953 9.576 1.00 0.00 H new ATOM 0 HG3 GLN A 22 7.570 6.311 8.204 1.00 0.00 H new ATOM 0 HE21 GLN A 22 8.440 8.430 7.930 1.00 0.00 H new ATOM 0 HE22 GLN A 22 8.472 9.576 9.274 1.00 0.00 H new ATOM 356 N LEU A 23 4.152 6.528 5.340 1.00 0.00 N ATOM 357 CA LEU A 23 3.168 7.102 4.437 1.00 0.00 C ATOM 358 C LEU A 23 2.435 6.033 3.627 1.00 0.00 C ATOM 359 O LEU A 23 1.334 6.279 3.140 1.00 0.00 O ATOM 360 CB LEU A 23 3.805 8.180 3.543 1.00 0.00 C ATOM 361 CG LEU A 23 4.410 7.740 2.211 1.00 0.00 C ATOM 362 CD1 LEU A 23 5.000 8.943 1.505 1.00 0.00 C ATOM 363 CD2 LEU A 23 5.477 6.680 2.389 1.00 0.00 C ATOM 0 H LEU A 23 5.118 6.594 5.020 1.00 0.00 H new ATOM 0 HA LEU A 23 2.408 7.591 5.046 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.044 8.932 3.332 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.588 8.672 4.119 1.00 0.00 H new ATOM 0 HG LEU A 23 3.611 7.302 1.612 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.432 8.631 0.554 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.217 9.679 1.323 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.776 9.386 2.129 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.877 6.399 1.415 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.280 7.073 3.012 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.042 5.803 2.869 1.00 0.00 H new ATOM 375 N GLN A 24 3.019 4.840 3.510 1.00 0.00 N ATOM 376 CA GLN A 24 2.318 3.723 2.879 1.00 0.00 C ATOM 377 C GLN A 24 1.126 3.333 3.744 1.00 0.00 C ATOM 378 O GLN A 24 0.079 2.917 3.246 1.00 0.00 O ATOM 379 CB GLN A 24 3.248 2.518 2.677 1.00 0.00 C ATOM 380 CG GLN A 24 3.642 1.819 3.971 1.00 0.00 C ATOM 381 CD GLN A 24 4.636 0.693 3.768 1.00 0.00 C ATOM 382 OE1 GLN A 24 4.636 -0.288 4.513 1.00 0.00 O ATOM 383 NE2 GLN A 24 5.503 0.830 2.779 1.00 0.00 N ATOM 0 H GLN A 24 3.960 4.624 3.838 1.00 0.00 H new ATOM 0 HA GLN A 24 1.974 4.037 1.894 1.00 0.00 H new ATOM 0 HB2 GLN A 24 2.757 1.798 2.022 1.00 0.00 H new ATOM 0 HB3 GLN A 24 4.151 2.850 2.165 1.00 0.00 H new ATOM 0 HG2 GLN A 24 4.069 2.552 4.656 1.00 0.00 H new ATOM 0 HG3 GLN A 24 2.746 1.421 4.448 1.00 0.00 H new ATOM 0 HE21 GLN A 24 5.471 1.657 2.183 1.00 0.00 H new ATOM 0 HE22 GLN A 24 6.204 0.108 2.612 1.00 0.00 H new ATOM 392 N ARG A 25 1.294 3.502 5.051 1.00 0.00 N ATOM 393 CA ARG A 25 0.240 3.272 6.003 1.00 0.00 C ATOM 394 C ARG A 25 -0.820 4.357 5.868 1.00 0.00 C ATOM 395 O ARG A 25 -2.012 4.074 5.839 1.00 0.00 O ATOM 396 CB ARG A 25 0.845 3.281 7.406 1.00 0.00 C ATOM 397 CG ARG A 25 -0.097 3.797 8.469 1.00 0.00 C ATOM 398 CD ARG A 25 0.664 4.387 9.646 1.00 0.00 C ATOM 399 NE ARG A 25 1.748 3.514 10.093 1.00 0.00 N ATOM 400 CZ ARG A 25 2.931 3.953 10.522 1.00 0.00 C ATOM 401 NH1 ARG A 25 3.176 5.256 10.597 1.00 0.00 N ATOM 402 NH2 ARG A 25 3.870 3.086 10.876 1.00 0.00 N ATOM 0 H ARG A 25 2.173 3.804 5.471 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.235 2.308 5.819 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.153 2.268 7.666 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.745 3.896 7.400 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.752 4.556 8.040 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.735 2.985 8.817 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.073 5.357 9.363 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -0.025 4.561 10.472 1.00 0.00 H new ATOM 0 HE ARG A 25 1.589 2.507 10.075 1.00 0.00 H new ATOM 0 HH11 ARG A 25 2.457 5.927 10.326 1.00 0.00 H new ATOM 0 HH12 ARG A 25 4.083 5.586 10.926 1.00 0.00 H new ATOM 0 HH21 ARG A 25 3.686 2.084 10.820 1.00 0.00 H new ATOM 0 HH22 ARG A 25 4.776 3.421 11.204 1.00 0.00 H new ATOM 416 N LEU A 26 -0.360 5.595 5.760 1.00 0.00 N ATOM 417 CA LEU A 26 -1.239 6.754 5.675 1.00 0.00 C ATOM 418 C LEU A 26 -2.134 6.674 4.446 1.00 0.00 C ATOM 419 O LEU A 26 -3.299 7.069 4.488 1.00 0.00 O ATOM 420 CB LEU A 26 -0.389 8.020 5.663 1.00 0.00 C ATOM 421 CG LEU A 26 0.522 8.151 6.887 1.00 0.00 C ATOM 422 CD1 LEU A 26 1.398 9.386 6.795 1.00 0.00 C ATOM 423 CD2 LEU A 26 -0.306 8.169 8.166 1.00 0.00 C ATOM 0 H LEU A 26 0.633 5.825 5.729 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.897 6.774 6.544 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.223 8.030 4.761 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.045 8.889 5.613 1.00 0.00 H new ATOM 0 HG LEU A 26 1.180 7.282 6.911 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.032 9.449 7.679 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.023 9.323 5.904 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.769 10.274 6.735 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.356 8.263 9.027 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.993 9.015 8.143 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.874 7.242 8.245 1.00 0.00 H new ATOM 435 N ILE A 27 -1.586 6.153 3.359 1.00 0.00 N ATOM 436 CA ILE A 27 -2.376 5.859 2.172 1.00 0.00 C ATOM 437 C ILE A 27 -3.480 4.876 2.523 1.00 0.00 C ATOM 438 O ILE A 27 -4.654 5.121 2.259 1.00 0.00 O ATOM 439 CB ILE A 27 -1.506 5.248 1.059 1.00 0.00 C ATOM 440 CG1 ILE A 27 -0.421 6.230 0.639 1.00 0.00 C ATOM 441 CG2 ILE A 27 -2.356 4.845 -0.139 1.00 0.00 C ATOM 442 CD1 ILE A 27 0.605 5.616 -0.279 1.00 0.00 C ATOM 0 H ILE A 27 -0.596 5.925 3.274 1.00 0.00 H new ATOM 0 HA ILE A 27 -2.800 6.796 1.812 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.031 4.349 1.451 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.883 7.082 0.140 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.079 6.614 1.529 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.717 4.416 -0.911 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -3.095 4.107 0.171 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.865 5.723 -0.536 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.351 6.365 -0.543 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.091 4.781 0.226 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.115 5.257 -1.184 1.00 0.00 H new ATOM 454 N THR A 28 -3.079 3.775 3.148 1.00 0.00 N ATOM 455 CA THR A 28 -3.998 2.721 3.540 1.00 0.00 C ATOM 456 C THR A 28 -5.127 3.258 4.435 1.00 0.00 C ATOM 457 O THR A 28 -6.284 2.874 4.269 1.00 0.00 O ATOM 458 CB THR A 28 -3.220 1.570 4.241 1.00 0.00 C ATOM 459 OG1 THR A 28 -3.370 0.349 3.505 1.00 0.00 O ATOM 460 CG2 THR A 28 -3.669 1.352 5.678 1.00 0.00 C ATOM 0 H THR A 28 -2.107 3.591 3.396 1.00 0.00 H new ATOM 0 HA THR A 28 -4.468 2.325 2.640 1.00 0.00 H new ATOM 0 HB THR A 28 -2.172 1.868 4.263 1.00 0.00 H new ATOM 0 HG1 THR A 28 -2.875 -0.367 3.955 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.094 0.538 6.119 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.507 2.264 6.252 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.729 1.097 5.693 1.00 0.00 H new ATOM 468 N GLN A 29 -4.797 4.170 5.352 1.00 0.00 N ATOM 469 CA GLN A 29 -5.788 4.711 6.279 1.00 0.00 C ATOM 470 C GLN A 29 -6.809 5.555 5.531 1.00 0.00 C ATOM 471 O GLN A 29 -8.016 5.448 5.756 1.00 0.00 O ATOM 472 CB GLN A 29 -5.123 5.567 7.362 1.00 0.00 C ATOM 473 CG GLN A 29 -3.877 4.941 7.957 1.00 0.00 C ATOM 474 CD GLN A 29 -3.688 5.272 9.421 1.00 0.00 C ATOM 475 OE1 GLN A 29 -3.057 6.268 9.771 1.00 0.00 O ATOM 476 NE2 GLN A 29 -4.227 4.430 10.287 1.00 0.00 N ATOM 0 H GLN A 29 -3.856 4.546 5.471 1.00 0.00 H new ATOM 0 HA GLN A 29 -6.289 3.868 6.755 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -4.864 6.537 6.937 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -5.843 5.751 8.160 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -3.930 3.859 7.839 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -3.005 5.280 7.398 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -4.743 3.616 9.953 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -4.127 4.595 11.289 1.00 0.00 H new ATOM 485 N LYS A 30 -6.302 6.385 4.634 1.00 0.00 N ATOM 486 CA LYS A 30 -7.136 7.284 3.848 1.00 0.00 C ATOM 487 C LYS A 30 -7.976 6.517 2.827 1.00 0.00 C ATOM 488 O LYS A 30 -9.182 6.735 2.729 1.00 0.00 O ATOM 489 CB LYS A 30 -6.261 8.327 3.152 1.00 0.00 C ATOM 490 CG LYS A 30 -5.631 9.312 4.124 1.00 0.00 C ATOM 491 CD LYS A 30 -4.667 10.262 3.433 1.00 0.00 C ATOM 492 CE LYS A 30 -4.282 11.419 4.345 1.00 0.00 C ATOM 493 NZ LYS A 30 -3.696 10.957 5.629 1.00 0.00 N ATOM 0 H LYS A 30 -5.305 6.456 4.430 1.00 0.00 H new ATOM 0 HA LYS A 30 -7.825 7.790 4.524 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -5.474 7.820 2.594 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -6.863 8.874 2.427 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -6.416 9.887 4.616 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -5.102 8.763 4.903 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.771 9.719 3.132 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -5.125 10.650 2.523 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -3.565 12.060 3.831 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -5.164 12.026 4.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -3.312 11.772 6.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -4.433 10.498 6.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -2.932 10.277 5.437 1.00 0.00 H new ATOM 507 N GLU A 31 -7.337 5.607 2.095 1.00 0.00 N ATOM 508 CA GLU A 31 -8.006 4.831 1.046 1.00 0.00 C ATOM 509 C GLU A 31 -9.284 4.160 1.547 1.00 0.00 C ATOM 510 O GLU A 31 -10.366 4.387 1.004 1.00 0.00 O ATOM 511 CB GLU A 31 -7.054 3.774 0.484 1.00 0.00 C ATOM 512 CG GLU A 31 -6.098 4.310 -0.570 1.00 0.00 C ATOM 513 CD GLU A 31 -6.776 4.524 -1.910 1.00 0.00 C ATOM 514 OE1 GLU A 31 -6.632 3.649 -2.798 1.00 0.00 O ATOM 515 OE2 GLU A 31 -7.457 5.554 -2.087 1.00 0.00 O ATOM 0 H GLU A 31 -6.348 5.386 2.209 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.288 5.531 0.259 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.475 3.347 1.303 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.640 2.963 0.051 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.674 5.253 -0.226 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.269 3.613 -0.693 1.00 0.00 H new ATOM 522 N GLU A 32 -9.166 3.347 2.590 1.00 0.00 N ATOM 523 CA GLU A 32 -10.313 2.602 3.097 1.00 0.00 C ATOM 524 C GLU A 32 -11.359 3.531 3.708 1.00 0.00 C ATOM 525 O GLU A 32 -12.552 3.231 3.687 1.00 0.00 O ATOM 526 CB GLU A 32 -9.874 1.551 4.117 1.00 0.00 C ATOM 527 CG GLU A 32 -9.047 2.097 5.267 1.00 0.00 C ATOM 528 CD GLU A 32 -8.629 1.008 6.229 1.00 0.00 C ATOM 529 OE1 GLU A 32 -9.097 1.014 7.386 1.00 0.00 O ATOM 530 OE2 GLU A 32 -7.844 0.125 5.825 1.00 0.00 O ATOM 0 H GLU A 32 -8.296 3.187 3.098 1.00 0.00 H new ATOM 0 HA GLU A 32 -10.771 2.093 2.249 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.761 1.064 4.523 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -9.296 0.783 3.603 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -8.160 2.593 4.873 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -9.623 2.852 5.802 1.00 0.00 H new ATOM 537 N LYS A 33 -10.910 4.665 4.230 1.00 0.00 N ATOM 538 CA LYS A 33 -11.810 5.630 4.842 1.00 0.00 C ATOM 539 C LYS A 33 -12.634 6.337 3.768 1.00 0.00 C ATOM 540 O LYS A 33 -13.836 6.557 3.931 1.00 0.00 O ATOM 541 CB LYS A 33 -11.013 6.649 5.659 1.00 0.00 C ATOM 542 CG LYS A 33 -11.877 7.552 6.526 1.00 0.00 C ATOM 543 CD LYS A 33 -11.038 8.546 7.319 1.00 0.00 C ATOM 544 CE LYS A 33 -10.054 7.849 8.248 1.00 0.00 C ATOM 545 NZ LYS A 33 -10.731 6.911 9.183 1.00 0.00 N ATOM 0 H LYS A 33 -9.927 4.938 4.241 1.00 0.00 H new ATOM 0 HA LYS A 33 -12.490 5.102 5.511 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -10.307 6.117 6.296 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -10.426 7.267 4.979 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -12.583 8.093 5.896 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -12.464 6.943 7.213 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -10.492 9.190 6.630 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -11.695 9.190 7.904 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -9.322 7.302 7.654 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -9.505 8.597 8.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -10.058 6.602 9.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -11.535 7.391 9.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -11.074 6.083 8.656 1.00 0.00 H new ATOM 559 N ILE A 34 -11.979 6.674 2.665 1.00 0.00 N ATOM 560 CA ILE A 34 -12.643 7.318 1.541 1.00 0.00 C ATOM 561 C ILE A 34 -13.687 6.391 0.924 1.00 0.00 C ATOM 562 O ILE A 34 -14.728 6.848 0.458 1.00 0.00 O ATOM 563 CB ILE A 34 -11.625 7.749 0.462 1.00 0.00 C ATOM 564 CG1 ILE A 34 -10.701 8.828 1.023 1.00 0.00 C ATOM 565 CG2 ILE A 34 -12.343 8.260 -0.780 1.00 0.00 C ATOM 566 CD1 ILE A 34 -9.401 8.976 0.257 1.00 0.00 C ATOM 0 H ILE A 34 -10.982 6.510 2.525 1.00 0.00 H new ATOM 0 HA ILE A 34 -13.141 8.209 1.923 1.00 0.00 H new ATOM 0 HB ILE A 34 -11.028 6.882 0.178 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -11.227 9.783 1.017 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -10.475 8.595 2.064 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -11.608 8.559 -1.528 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -12.974 7.470 -1.186 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -12.961 9.118 -0.516 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.797 9.760 0.713 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -8.853 8.034 0.284 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.617 9.240 -0.778 1.00 0.00 H new ATOM 578 N ARG A 35 -13.414 5.087 0.935 1.00 0.00 N ATOM 579 CA ARG A 35 -14.345 4.105 0.445 1.00 0.00 C ATOM 580 C ARG A 35 -15.679 4.210 1.173 1.00 0.00 C ATOM 581 O ARG A 35 -16.742 4.048 0.578 1.00 0.00 O ATOM 582 CB ARG A 35 -13.764 2.719 0.649 1.00 0.00 C ATOM 583 CG ARG A 35 -14.308 1.737 -0.342 1.00 0.00 C ATOM 584 CD ARG A 35 -13.937 0.303 -0.005 1.00 0.00 C ATOM 585 NE ARG A 35 -14.605 -0.653 -0.891 1.00 0.00 N ATOM 586 CZ ARG A 35 -14.610 -1.971 -0.698 1.00 0.00 C ATOM 587 NH1 ARG A 35 -13.944 -2.501 0.321 1.00 0.00 N ATOM 588 NH2 ARG A 35 -15.276 -2.762 -1.530 1.00 0.00 N ATOM 0 H ARG A 35 -12.540 4.695 1.286 1.00 0.00 H new ATOM 0 HA ARG A 35 -14.517 4.286 -0.616 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -12.679 2.763 0.559 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -13.986 2.377 1.660 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -15.393 1.828 -0.381 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -13.932 1.982 -1.335 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -12.857 0.179 -0.084 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -14.208 0.091 1.029 1.00 0.00 H new ATOM 0 HE ARG A 35 -15.097 -0.287 -1.706 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -13.426 -1.898 0.960 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -13.951 -3.511 0.465 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -15.785 -2.361 -2.318 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -15.279 -3.771 -1.382 1.00 0.00 H new ATOM 602 N VAL A 36 -15.614 4.503 2.461 1.00 0.00 N ATOM 603 CA VAL A 36 -16.810 4.623 3.279 1.00 0.00 C ATOM 604 C VAL A 36 -17.542 5.923 2.951 1.00 0.00 C ATOM 605 O VAL A 36 -18.759 6.027 3.098 1.00 0.00 O ATOM 606 CB VAL A 36 -16.463 4.576 4.776 1.00 0.00 C ATOM 607 CG1 VAL A 36 -17.700 4.274 5.607 1.00 0.00 C ATOM 608 CG2 VAL A 36 -15.380 3.544 5.029 1.00 0.00 C ATOM 0 H VAL A 36 -14.742 4.663 2.965 1.00 0.00 H new ATOM 0 HA VAL A 36 -17.461 3.778 3.054 1.00 0.00 H new ATOM 0 HB VAL A 36 -16.088 5.554 5.076 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -17.431 4.246 6.663 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -18.447 5.051 5.444 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -18.110 3.309 5.311 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -15.142 3.519 6.092 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -15.732 2.562 4.713 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -14.486 3.808 4.463 1.00 0.00 H new ATOM 618 N LEU A 37 -16.787 6.912 2.492 1.00 0.00 N ATOM 619 CA LEU A 37 -17.364 8.159 2.001 1.00 0.00 C ATOM 620 C LEU A 37 -17.975 7.944 0.638 1.00 0.00 C ATOM 621 O LEU A 37 -18.946 8.589 0.265 1.00 0.00 O ATOM 622 CB LEU A 37 -16.301 9.250 1.916 1.00 0.00 C ATOM 623 CG LEU A 37 -16.432 10.338 2.968 1.00 0.00 C ATOM 624 CD1 LEU A 37 -17.638 11.216 2.671 1.00 0.00 C ATOM 625 CD2 LEU A 37 -16.552 9.709 4.346 1.00 0.00 C ATOM 0 H LEU A 37 -15.769 6.876 2.449 1.00 0.00 H new ATOM 0 HA LEU A 37 -18.137 8.476 2.701 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -15.317 8.790 2.008 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -16.347 9.709 0.928 1.00 0.00 H new ATOM 0 HG LEU A 37 -15.541 10.965 2.946 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -17.720 11.991 3.433 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -17.518 11.680 1.692 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -18.542 10.606 2.675 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -16.646 10.493 5.097 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -17.433 9.069 4.378 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -15.663 9.113 4.553 1.00 0.00 H new ATOM 637 N ARG A 38 -17.391 7.020 -0.086 1.00 0.00 N ATOM 638 CA ARG A 38 -17.856 6.649 -1.407 1.00 0.00 C ATOM 639 C ARG A 38 -19.229 5.985 -1.312 1.00 0.00 C ATOM 640 O ARG A 38 -20.013 6.012 -2.260 1.00 0.00 O ATOM 641 CB ARG A 38 -16.788 5.761 -2.052 1.00 0.00 C ATOM 642 CG ARG A 38 -17.293 4.572 -2.841 1.00 0.00 C ATOM 643 CD ARG A 38 -16.112 3.800 -3.404 1.00 0.00 C ATOM 644 NE ARG A 38 -16.497 2.600 -4.137 1.00 0.00 N ATOM 645 CZ ARG A 38 -15.619 1.697 -4.578 1.00 0.00 C ATOM 646 NH1 ARG A 38 -14.320 1.858 -4.338 1.00 0.00 N ATOM 647 NH2 ARG A 38 -16.033 0.636 -5.257 1.00 0.00 N ATOM 0 H ARG A 38 -16.572 6.498 0.225 1.00 0.00 H new ATOM 0 HA ARG A 38 -17.994 7.523 -2.044 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -16.183 6.380 -2.715 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -16.127 5.395 -1.266 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -17.892 3.925 -2.201 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -17.941 4.908 -3.651 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -15.543 4.453 -4.066 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -15.449 3.519 -2.586 1.00 0.00 H new ATOM 0 HE ARG A 38 -17.488 2.443 -4.322 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -13.995 2.672 -3.817 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -13.650 1.167 -4.675 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -17.027 0.507 -5.445 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -15.357 -0.051 -5.592 1.00 0.00 H new ATOM 661 N GLN A 39 -19.520 5.427 -0.140 1.00 0.00 N ATOM 662 CA GLN A 39 -20.850 4.918 0.172 1.00 0.00 C ATOM 663 C GLN A 39 -21.824 6.073 0.395 1.00 0.00 C ATOM 664 O GLN A 39 -22.986 5.999 0.005 1.00 0.00 O ATOM 665 CB GLN A 39 -20.785 4.040 1.416 1.00 0.00 C ATOM 666 CG GLN A 39 -19.683 2.999 1.347 1.00 0.00 C ATOM 667 CD GLN A 39 -19.897 1.971 0.252 1.00 0.00 C ATOM 668 OE1 GLN A 39 -18.940 1.439 -0.308 1.00 0.00 O ATOM 669 NE2 GLN A 39 -21.150 1.680 -0.061 1.00 0.00 N ATOM 0 H GLN A 39 -18.844 5.316 0.616 1.00 0.00 H new ATOM 0 HA GLN A 39 -21.206 4.323 -0.669 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -20.628 4.670 2.292 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -21.743 3.539 1.551 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -18.729 3.500 1.184 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -19.615 2.488 2.307 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -21.918 2.142 0.426 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -21.348 0.993 -0.789 1.00 0.00 H new ATOM 678 N ARG A 40 -21.345 7.142 1.027 1.00 0.00 N ATOM 679 CA ARG A 40 -22.141 8.356 1.167 1.00 0.00 C ATOM 680 C ARG A 40 -22.412 8.950 -0.207 1.00 0.00 C ATOM 681 O ARG A 40 -23.509 9.429 -0.492 1.00 0.00 O ATOM 682 CB ARG A 40 -21.431 9.393 2.043 1.00 0.00 C ATOM 683 CG ARG A 40 -21.719 9.261 3.530 1.00 0.00 C ATOM 684 CD ARG A 40 -20.832 8.221 4.190 1.00 0.00 C ATOM 685 NE ARG A 40 -21.213 7.982 5.583 1.00 0.00 N ATOM 686 CZ ARG A 40 -20.426 7.394 6.483 1.00 0.00 C ATOM 687 NH1 ARG A 40 -19.208 6.995 6.141 1.00 0.00 N ATOM 688 NH2 ARG A 40 -20.854 7.208 7.725 1.00 0.00 N ATOM 0 H ARG A 40 -20.417 7.191 1.447 1.00 0.00 H new ATOM 0 HA ARG A 40 -23.081 8.090 1.650 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -20.356 9.310 1.885 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -21.725 10.390 1.715 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -21.570 10.226 4.015 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -22.765 8.990 3.674 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -20.892 7.287 3.632 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -19.794 8.551 4.149 1.00 0.00 H new ATOM 0 HE ARG A 40 -22.139 8.285 5.884 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -18.873 7.138 5.188 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -18.606 6.545 6.831 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -21.789 7.516 7.994 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -20.248 6.757 8.411 1.00 0.00 H new ATOM 702 N LEU A 41 -21.399 8.891 -1.063 1.00 0.00 N ATOM 703 CA LEU A 41 -21.518 9.374 -2.429 1.00 0.00 C ATOM 704 C LEU A 41 -22.546 8.549 -3.195 1.00 0.00 C ATOM 705 O LEU A 41 -23.131 9.024 -4.156 1.00 0.00 O ATOM 706 CB LEU A 41 -20.175 9.310 -3.158 1.00 0.00 C ATOM 707 CG LEU A 41 -18.974 9.892 -2.413 1.00 0.00 C ATOM 708 CD1 LEU A 41 -17.742 9.838 -3.297 1.00 0.00 C ATOM 709 CD2 LEU A 41 -19.241 11.317 -1.958 1.00 0.00 C ATOM 0 H LEU A 41 -20.481 8.511 -0.831 1.00 0.00 H new ATOM 0 HA LEU A 41 -21.842 10.414 -2.384 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -19.961 8.267 -3.391 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -20.276 9.834 -4.108 1.00 0.00 H new ATOM 0 HG LEU A 41 -18.801 9.289 -1.522 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -16.890 10.254 -2.760 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -17.531 8.803 -3.565 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -17.918 10.418 -4.203 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -18.367 11.701 -1.432 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -19.446 11.944 -2.826 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -20.102 11.330 -1.289 1.00 0.00 H new ATOM 721 N VAL A 42 -22.753 7.307 -2.767 1.00 0.00 N ATOM 722 CA VAL A 42 -23.780 6.447 -3.350 1.00 0.00 C ATOM 723 C VAL A 42 -25.148 7.101 -3.234 1.00 0.00 C ATOM 724 O VAL A 42 -25.901 7.160 -4.207 1.00 0.00 O ATOM 725 CB VAL A 42 -23.808 5.057 -2.667 1.00 0.00 C ATOM 726 CG1 VAL A 42 -25.043 4.265 -3.076 1.00 0.00 C ATOM 727 CG2 VAL A 42 -22.541 4.274 -2.981 1.00 0.00 C ATOM 0 H VAL A 42 -22.220 6.871 -2.014 1.00 0.00 H new ATOM 0 HA VAL A 42 -23.533 6.308 -4.403 1.00 0.00 H new ATOM 0 HB VAL A 42 -23.855 5.218 -1.590 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -25.034 3.294 -2.580 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -25.939 4.813 -2.785 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -25.041 4.120 -4.156 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -22.583 3.301 -2.491 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -22.458 4.134 -4.059 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -21.673 4.825 -2.619 1.00 0.00 H new ATOM 737 N GLU A 43 -25.453 7.623 -2.053 1.00 0.00 N ATOM 738 CA GLU A 43 -26.721 8.302 -1.828 1.00 0.00 C ATOM 739 C GLU A 43 -26.817 9.561 -2.681 1.00 0.00 C ATOM 740 O GLU A 43 -27.903 9.963 -3.096 1.00 0.00 O ATOM 741 CB GLU A 43 -26.884 8.661 -0.354 1.00 0.00 C ATOM 742 CG GLU A 43 -26.960 7.453 0.561 1.00 0.00 C ATOM 743 CD GLU A 43 -27.128 7.841 2.014 1.00 0.00 C ATOM 744 OE1 GLU A 43 -28.266 8.158 2.423 1.00 0.00 O ATOM 745 OE2 GLU A 43 -26.127 7.828 2.760 1.00 0.00 O ATOM 0 H GLU A 43 -24.841 7.589 -1.238 1.00 0.00 H new ATOM 0 HA GLU A 43 -27.523 7.622 -2.116 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -26.046 9.287 -0.046 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -27.789 9.256 -0.232 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -27.795 6.822 0.257 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -26.054 6.858 0.449 1.00 0.00 H new ATOM 752 N ARG A 44 -25.673 10.179 -2.939 1.00 0.00 N ATOM 753 CA ARG A 44 -25.617 11.376 -3.768 1.00 0.00 C ATOM 754 C ARG A 44 -25.699 11.005 -5.249 1.00 0.00 C ATOM 755 O ARG A 44 -26.247 11.752 -6.058 1.00 0.00 O ATOM 756 CB ARG A 44 -24.337 12.161 -3.477 1.00 0.00 C ATOM 757 CG ARG A 44 -24.221 12.595 -2.023 1.00 0.00 C ATOM 758 CD ARG A 44 -22.983 13.444 -1.782 1.00 0.00 C ATOM 759 NE ARG A 44 -23.025 14.698 -2.530 1.00 0.00 N ATOM 760 CZ ARG A 44 -22.445 15.828 -2.128 1.00 0.00 C ATOM 761 NH1 ARG A 44 -21.750 15.864 -0.998 1.00 0.00 N ATOM 762 NH2 ARG A 44 -22.552 16.923 -2.867 1.00 0.00 N ATOM 0 H ARG A 44 -24.768 9.870 -2.585 1.00 0.00 H new ATOM 0 HA ARG A 44 -26.472 12.008 -3.528 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -23.474 11.547 -3.737 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -24.305 13.043 -4.117 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -25.109 13.160 -1.741 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -24.187 11.714 -1.383 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -22.893 13.660 -0.717 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -22.095 12.880 -2.069 1.00 0.00 H new ATOM 0 HE ARG A 44 -23.530 14.709 -3.416 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -21.657 15.022 -0.430 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -21.309 16.733 -0.698 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -23.077 16.899 -3.741 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -22.109 17.790 -2.562 1.00 0.00 H new ATOM 776 N GLY A 45 -25.147 9.848 -5.590 1.00 0.00 N ATOM 777 CA GLY A 45 -25.277 9.315 -6.930 1.00 0.00 C ATOM 778 C GLY A 45 -23.946 9.045 -7.611 1.00 0.00 C ATOM 779 O GLY A 45 -23.820 9.187 -8.827 1.00 0.00 O ATOM 0 H GLY A 45 -24.605 9.264 -4.953 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -25.849 8.388 -6.889 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -25.850 10.016 -7.537 1.00 0.00 H new ATOM 783 N ASP A 46 -22.949 8.652 -6.834 1.00 0.00 N ATOM 784 CA ASP A 46 -21.655 8.259 -7.389 1.00 0.00 C ATOM 785 C ASP A 46 -21.641 6.761 -7.683 1.00 0.00 C ATOM 786 O ASP A 46 -20.706 6.235 -8.283 1.00 0.00 O ATOM 787 CB ASP A 46 -20.525 8.627 -6.425 1.00 0.00 C ATOM 788 CG ASP A 46 -19.157 8.198 -6.921 1.00 0.00 C ATOM 789 OD1 ASP A 46 -18.638 8.820 -7.875 1.00 0.00 O ATOM 790 OD2 ASP A 46 -18.587 7.240 -6.355 1.00 0.00 O ATOM 0 H ASP A 46 -23.007 8.595 -5.817 1.00 0.00 H new ATOM 0 HA ASP A 46 -21.498 8.798 -8.323 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -20.526 9.706 -6.268 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -20.716 8.164 -5.457 1.00 0.00 H new ATOM 795 N ALA A 47 -22.719 6.089 -7.298 1.00 0.00 N ATOM 796 CA ALA A 47 -22.821 4.642 -7.441 1.00 0.00 C ATOM 797 C ALA A 47 -23.078 4.226 -8.885 1.00 0.00 C ATOM 798 O ALA A 47 -23.412 3.080 -9.151 1.00 0.00 O ATOM 799 CB ALA A 47 -23.924 4.107 -6.548 1.00 0.00 C ATOM 0 H ALA A 47 -23.541 6.527 -6.881 1.00 0.00 H new ATOM 0 HA ALA A 47 -21.864 4.217 -7.139 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -23.992 3.025 -6.662 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -23.700 4.349 -5.509 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -24.873 4.562 -6.830 1.00 0.00 H new ATOM 805 N LYS A 48 -22.912 5.158 -9.811 1.00 0.00 N ATOM 806 CA LYS A 48 -23.117 4.882 -11.227 1.00 0.00 C ATOM 807 C LYS A 48 -22.139 3.828 -11.738 1.00 0.00 C ATOM 808 O LYS A 48 -22.463 3.059 -12.646 1.00 0.00 O ATOM 809 CB LYS A 48 -22.992 6.170 -12.036 1.00 0.00 C ATOM 810 CG LYS A 48 -24.272 6.981 -12.036 1.00 0.00 C ATOM 811 CD LYS A 48 -25.360 6.263 -12.816 1.00 0.00 C ATOM 812 CE LYS A 48 -26.736 6.816 -12.513 1.00 0.00 C ATOM 813 NZ LYS A 48 -27.168 6.529 -11.119 1.00 0.00 N ATOM 0 H LYS A 48 -22.634 6.118 -9.607 1.00 0.00 H new ATOM 0 HA LYS A 48 -24.124 4.483 -11.351 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -22.182 6.775 -11.628 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -22.720 5.925 -13.063 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -24.602 7.149 -11.011 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -24.088 7.961 -12.476 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -25.160 6.354 -13.884 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -25.336 5.200 -12.576 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -26.735 7.894 -12.676 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -27.458 6.389 -13.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -28.177 6.758 -11.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -27.018 5.521 -10.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -26.611 7.107 -10.457 1.00 0.00 H new ATOM 827 N GLY A 49 -20.952 3.789 -11.143 1.00 0.00 N ATOM 828 CA GLY A 49 -19.962 2.797 -11.518 1.00 0.00 C ATOM 829 C GLY A 49 -20.406 1.387 -11.176 1.00 0.00 C ATOM 830 O GLY A 49 -20.091 0.438 -11.893 1.00 0.00 O ATOM 0 H GLY A 49 -20.657 4.429 -10.405 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -19.769 2.866 -12.589 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -19.022 3.014 -11.010 1.00 0.00 H new ATOM 834 N THR A 50 -21.132 1.251 -10.077 1.00 0.00 N ATOM 835 CA THR A 50 -21.648 -0.040 -9.649 1.00 0.00 C ATOM 836 C THR A 50 -22.973 0.151 -8.914 1.00 0.00 C ATOM 837 O THR A 50 -23.001 0.320 -7.693 1.00 0.00 O ATOM 838 CB THR A 50 -20.643 -0.755 -8.722 1.00 0.00 C ATOM 839 OG1 THR A 50 -19.326 -0.683 -9.287 1.00 0.00 O ATOM 840 CG2 THR A 50 -21.030 -2.212 -8.526 1.00 0.00 C ATOM 0 H THR A 50 -21.379 2.026 -9.461 1.00 0.00 H new ATOM 0 HA THR A 50 -21.804 -0.657 -10.534 1.00 0.00 H new ATOM 0 HB THR A 50 -20.656 -0.257 -7.753 1.00 0.00 H new ATOM 0 HG1 THR A 50 -18.691 -1.137 -8.695 1.00 0.00 H new ATOM 0 HG21 THR A 50 -20.307 -2.695 -7.869 1.00 0.00 H new ATOM 0 HG22 THR A 50 -22.022 -2.268 -8.077 1.00 0.00 H new ATOM 0 HG23 THR A 50 -21.039 -2.719 -9.491 1.00 0.00 H new ATOM 848 N GLU A 51 -24.068 0.139 -9.663 1.00 0.00 N ATOM 849 CA GLU A 51 -25.375 0.417 -9.090 1.00 0.00 C ATOM 850 C GLU A 51 -25.953 -0.825 -8.428 1.00 0.00 C ATOM 851 O GLU A 51 -26.503 -1.706 -9.091 1.00 0.00 O ATOM 852 CB GLU A 51 -26.328 0.963 -10.159 1.00 0.00 C ATOM 853 CG GLU A 51 -25.806 2.214 -10.836 1.00 0.00 C ATOM 854 CD GLU A 51 -26.831 2.890 -11.722 1.00 0.00 C ATOM 855 OE1 GLU A 51 -26.961 2.496 -12.900 1.00 0.00 O ATOM 856 OE2 GLU A 51 -27.499 3.835 -11.245 1.00 0.00 O ATOM 0 H GLU A 51 -24.076 -0.059 -10.663 1.00 0.00 H new ATOM 0 HA GLU A 51 -25.255 1.180 -8.321 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -26.499 0.194 -10.912 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -27.293 1.180 -9.701 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -25.474 2.919 -10.074 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -24.932 1.957 -11.435 1.00 0.00 H new ATOM 863 N LEU A 52 -25.807 -0.888 -7.111 1.00 0.00 N ATOM 864 CA LEU A 52 -26.287 -2.023 -6.333 1.00 0.00 C ATOM 865 C LEU A 52 -27.579 -1.673 -5.603 1.00 0.00 C ATOM 866 O LEU A 52 -28.014 -2.408 -4.712 1.00 0.00 O ATOM 867 CB LEU A 52 -25.224 -2.449 -5.317 1.00 0.00 C ATOM 868 CG LEU A 52 -23.849 -2.771 -5.904 1.00 0.00 C ATOM 869 CD1 LEU A 52 -22.883 -3.190 -4.807 1.00 0.00 C ATOM 870 CD2 LEU A 52 -23.962 -3.855 -6.963 1.00 0.00 C ATOM 0 H LEU A 52 -25.357 -0.161 -6.556 1.00 0.00 H new ATOM 0 HA LEU A 52 -26.486 -2.846 -7.019 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -25.109 -1.653 -4.581 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -25.587 -3.327 -4.783 1.00 0.00 H new ATOM 0 HG LEU A 52 -23.458 -1.870 -6.377 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -21.910 -3.415 -5.245 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -22.778 -2.379 -4.086 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -23.268 -4.077 -4.303 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -22.974 -4.071 -7.369 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -24.376 -4.759 -6.516 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -24.617 -3.514 -7.764 1.00 0.00 H new ATOM 882 N ASN A 53 -28.171 -0.537 -5.982 1.00 0.00 N ATOM 883 CA ASN A 53 -29.415 -0.033 -5.381 1.00 0.00 C ATOM 884 C ASN A 53 -29.174 0.545 -3.986 1.00 0.00 C ATOM 885 O ASN A 53 -29.559 1.679 -3.705 1.00 0.00 O ATOM 886 CB ASN A 53 -30.501 -1.120 -5.332 1.00 0.00 C ATOM 887 CG ASN A 53 -31.771 -0.649 -4.644 1.00 0.00 C ATOM 888 OD1 ASN A 53 -32.638 -0.037 -5.267 1.00 0.00 O ATOM 889 ND2 ASN A 53 -31.899 -0.950 -3.359 1.00 0.00 N ATOM 0 H ASN A 53 -27.801 0.064 -6.718 1.00 0.00 H new ATOM 0 HA ASN A 53 -29.771 0.773 -6.023 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -30.739 -1.436 -6.348 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -30.112 -1.993 -4.809 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -32.739 -0.673 -2.852 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -31.157 -1.459 -2.878 1.00 0.00 H new TER 896 ASN A 53 ATOM 897 N GLY B 84 21.284 11.741 -12.423 1.00 0.00 N ATOM 898 CA GLY B 84 22.461 12.492 -12.032 1.00 0.00 C ATOM 899 C GLY B 84 23.729 11.689 -12.260 1.00 0.00 C ATOM 900 O GLY B 84 23.694 10.462 -12.205 1.00 0.00 O ATOM 0 HA2 GLY B 84 22.509 13.420 -12.602 1.00 0.00 H new ATOM 0 HA3 GLY B 84 22.387 12.767 -10.980 1.00 0.00 H new ATOM 904 N PRO B 85 24.868 12.344 -12.519 1.00 0.00 N ATOM 905 CA PRO B 85 26.122 11.661 -12.817 1.00 0.00 C ATOM 906 C PRO B 85 26.886 11.268 -11.555 1.00 0.00 C ATOM 907 O PRO B 85 26.351 11.348 -10.443 1.00 0.00 O ATOM 908 CB PRO B 85 26.887 12.712 -13.610 1.00 0.00 C ATOM 909 CG PRO B 85 26.479 13.997 -12.981 1.00 0.00 C ATOM 910 CD PRO B 85 25.043 13.811 -12.535 1.00 0.00 C ATOM 0 HA PRO B 85 25.973 10.721 -13.349 1.00 0.00 H new ATOM 0 HB2 PRO B 85 27.964 12.558 -13.543 1.00 0.00 H new ATOM 0 HB3 PRO B 85 26.626 12.684 -14.668 1.00 0.00 H new ATOM 0 HG2 PRO B 85 27.122 14.237 -12.134 1.00 0.00 H new ATOM 0 HG3 PRO B 85 26.563 14.821 -13.689 1.00 0.00 H new ATOM 0 HD2 PRO B 85 24.870 14.246 -11.550 1.00 0.00 H new ATOM 0 HD3 PRO B 85 24.345 14.290 -13.222 1.00 0.00 H new ATOM 918 N LEU B 86 28.114 10.806 -11.743 1.00 0.00 N ATOM 919 CA LEU B 86 29.003 10.473 -10.633 1.00 0.00 C ATOM 920 C LEU B 86 29.097 11.636 -9.648 1.00 0.00 C ATOM 921 O LEU B 86 29.121 12.804 -10.041 1.00 0.00 O ATOM 922 CB LEU B 86 30.408 10.126 -11.154 1.00 0.00 C ATOM 923 CG LEU B 86 31.278 11.310 -11.612 1.00 0.00 C ATOM 924 CD1 LEU B 86 32.670 10.826 -11.974 1.00 0.00 C ATOM 925 CD2 LEU B 86 30.655 12.042 -12.794 1.00 0.00 C ATOM 0 H LEU B 86 28.523 10.651 -12.664 1.00 0.00 H new ATOM 0 HA LEU B 86 28.588 9.607 -10.119 1.00 0.00 H new ATOM 0 HB2 LEU B 86 30.942 9.593 -10.368 1.00 0.00 H new ATOM 0 HB3 LEU B 86 30.302 9.436 -11.991 1.00 0.00 H new ATOM 0 HG LEU B 86 31.344 12.014 -10.782 1.00 0.00 H new ATOM 0 HD11 LEU B 86 33.277 11.672 -12.297 1.00 0.00 H new ATOM 0 HD12 LEU B 86 33.131 10.360 -11.103 1.00 0.00 H new ATOM 0 HD13 LEU B 86 32.603 10.098 -12.783 1.00 0.00 H new ATOM 0 HD21 LEU B 86 31.298 12.871 -13.088 1.00 0.00 H new ATOM 0 HD22 LEU B 86 30.545 11.353 -13.631 1.00 0.00 H new ATOM 0 HD23 LEU B 86 29.676 12.426 -12.509 1.00 0.00 H new ATOM 937 N GLY B 87 29.129 11.310 -8.368 1.00 0.00 N ATOM 938 CA GLY B 87 29.261 12.338 -7.360 1.00 0.00 C ATOM 939 C GLY B 87 30.707 12.644 -7.043 1.00 0.00 C ATOM 940 O GLY B 87 31.221 13.691 -7.434 1.00 0.00 O ATOM 0 H GLY B 87 29.066 10.357 -8.009 1.00 0.00 H new ATOM 0 HA2 GLY B 87 28.766 13.246 -7.703 1.00 0.00 H new ATOM 0 HA3 GLY B 87 28.751 12.021 -6.451 1.00 0.00 H new ATOM 944 N SER B 88 31.382 11.734 -6.351 1.00 0.00 N ATOM 945 CA SER B 88 32.778 11.958 -6.007 1.00 0.00 C ATOM 946 C SER B 88 33.707 11.000 -6.751 1.00 0.00 C ATOM 947 O SER B 88 34.628 11.438 -7.437 1.00 0.00 O ATOM 948 CB SER B 88 32.967 11.820 -4.496 1.00 0.00 C ATOM 949 OG SER B 88 32.059 12.658 -3.796 1.00 0.00 O ATOM 0 H SER B 88 30.993 10.850 -6.023 1.00 0.00 H new ATOM 0 HA SER B 88 33.042 12.970 -6.315 1.00 0.00 H new ATOM 0 HB2 SER B 88 32.814 10.782 -4.199 1.00 0.00 H new ATOM 0 HB3 SER B 88 33.991 12.081 -4.228 1.00 0.00 H new ATOM 0 HG SER B 88 32.195 12.554 -2.831 1.00 0.00 H new ATOM 955 N ARG B 89 33.467 9.696 -6.640 1.00 0.00 N ATOM 956 CA ARG B 89 34.296 8.732 -7.352 1.00 0.00 C ATOM 957 C ARG B 89 33.572 8.203 -8.583 1.00 0.00 C ATOM 958 O ARG B 89 33.890 8.593 -9.705 1.00 0.00 O ATOM 959 CB ARG B 89 34.692 7.570 -6.438 1.00 0.00 C ATOM 960 CG ARG B 89 35.683 6.597 -7.063 1.00 0.00 C ATOM 961 CD ARG B 89 37.094 7.167 -7.128 1.00 0.00 C ATOM 962 NE ARG B 89 37.233 8.254 -8.099 1.00 0.00 N ATOM 963 CZ ARG B 89 38.090 9.269 -7.960 1.00 0.00 C ATOM 964 NH1 ARG B 89 38.877 9.335 -6.892 1.00 0.00 N ATOM 965 NH2 ARG B 89 38.167 10.213 -8.892 1.00 0.00 N ATOM 0 H ARG B 89 32.721 9.290 -6.076 1.00 0.00 H new ATOM 0 HA ARG B 89 35.203 9.246 -7.672 1.00 0.00 H new ATOM 0 HB2 ARG B 89 35.124 7.973 -5.522 1.00 0.00 H new ATOM 0 HB3 ARG B 89 33.793 7.023 -6.153 1.00 0.00 H new ATOM 0 HG2 ARG B 89 35.694 5.673 -6.486 1.00 0.00 H new ATOM 0 HG3 ARG B 89 35.351 6.341 -8.069 1.00 0.00 H new ATOM 0 HD2 ARG B 89 37.377 7.532 -6.141 1.00 0.00 H new ATOM 0 HD3 ARG B 89 37.790 6.368 -7.384 1.00 0.00 H new ATOM 0 HE ARG B 89 36.641 8.235 -8.930 1.00 0.00 H new ATOM 0 HH11 ARG B 89 38.827 8.610 -6.176 1.00 0.00 H new ATOM 0 HH12 ARG B 89 39.531 10.111 -6.788 1.00 0.00 H new ATOM 0 HH21 ARG B 89 37.570 10.164 -9.718 1.00 0.00 H new ATOM 0 HH22 ARG B 89 38.823 10.986 -8.782 1.00 0.00 H new ATOM 979 N ARG B 90 32.572 7.347 -8.356 1.00 0.00 N ATOM 980 CA ARG B 90 31.793 6.750 -9.438 1.00 0.00 C ATOM 981 C ARG B 90 30.785 5.742 -8.885 1.00 0.00 C ATOM 982 O ARG B 90 29.619 6.069 -8.689 1.00 0.00 O ATOM 983 CB ARG B 90 32.710 6.062 -10.457 1.00 0.00 C ATOM 984 CG ARG B 90 32.005 5.660 -11.739 1.00 0.00 C ATOM 985 CD ARG B 90 32.971 5.010 -12.714 1.00 0.00 C ATOM 986 NE ARG B 90 32.339 4.730 -13.998 1.00 0.00 N ATOM 987 CZ ARG B 90 32.902 4.012 -14.966 1.00 0.00 C ATOM 988 NH1 ARG B 90 34.097 3.464 -14.783 1.00 0.00 N ATOM 989 NH2 ARG B 90 32.260 3.837 -16.114 1.00 0.00 N ATOM 0 H ARG B 90 32.283 7.052 -7.423 1.00 0.00 H new ATOM 0 HA ARG B 90 31.252 7.552 -9.940 1.00 0.00 H new ATOM 0 HB2 ARG B 90 33.534 6.732 -10.701 1.00 0.00 H new ATOM 0 HB3 ARG B 90 33.146 5.174 -9.999 1.00 0.00 H new ATOM 0 HG2 ARG B 90 31.194 4.968 -11.510 1.00 0.00 H new ATOM 0 HG3 ARG B 90 31.554 6.539 -12.200 1.00 0.00 H new ATOM 0 HD2 ARG B 90 33.829 5.665 -12.866 1.00 0.00 H new ATOM 0 HD3 ARG B 90 33.350 4.082 -12.286 1.00 0.00 H new ATOM 0 HE ARG B 90 31.407 5.109 -14.164 1.00 0.00 H new ATOM 0 HH11 ARG B 90 34.587 3.593 -13.898 1.00 0.00 H new ATOM 0 HH12 ARG B 90 34.525 2.914 -15.528 1.00 0.00 H new ATOM 0 HH21 ARG B 90 31.339 4.252 -16.251 1.00 0.00 H new ATOM 0 HH22 ARG B 90 32.688 3.287 -16.859 1.00 0.00 H new ATOM 1003 N PHE B 91 31.255 4.532 -8.595 1.00 0.00 N ATOM 1004 CA PHE B 91 30.380 3.446 -8.161 1.00 0.00 C ATOM 1005 C PHE B 91 29.995 3.590 -6.696 1.00 0.00 C ATOM 1006 O PHE B 91 28.840 3.368 -6.330 1.00 0.00 O ATOM 1007 CB PHE B 91 31.054 2.090 -8.377 1.00 0.00 C ATOM 1008 CG PHE B 91 31.340 1.771 -9.814 1.00 0.00 C ATOM 1009 CD1 PHE B 91 30.331 1.332 -10.654 1.00 0.00 C ATOM 1010 CD2 PHE B 91 32.621 1.899 -10.322 1.00 0.00 C ATOM 1011 CE1 PHE B 91 30.594 1.028 -11.975 1.00 0.00 C ATOM 1012 CE2 PHE B 91 32.891 1.598 -11.642 1.00 0.00 C ATOM 1013 CZ PHE B 91 31.876 1.161 -12.469 1.00 0.00 C ATOM 0 H PHE B 91 32.241 4.278 -8.653 1.00 0.00 H new ATOM 0 HA PHE B 91 29.474 3.502 -8.765 1.00 0.00 H new ATOM 0 HB2 PHE B 91 31.989 2.068 -7.818 1.00 0.00 H new ATOM 0 HB3 PHE B 91 30.416 1.309 -7.962 1.00 0.00 H new ATOM 0 HD1 PHE B 91 29.327 1.226 -10.272 1.00 0.00 H new ATOM 0 HD2 PHE B 91 33.419 2.238 -9.678 1.00 0.00 H new ATOM 0 HE1 PHE B 91 29.798 0.687 -12.620 1.00 0.00 H new ATOM 0 HE2 PHE B 91 33.895 1.704 -12.027 1.00 0.00 H new ATOM 0 HZ PHE B 91 32.085 0.923 -13.502 1.00 0.00 H new ATOM 1023 N VAL B 92 30.965 3.960 -5.867 1.00 0.00 N ATOM 1024 CA VAL B 92 30.748 4.077 -4.426 1.00 0.00 C ATOM 1025 C VAL B 92 29.630 5.071 -4.119 1.00 0.00 C ATOM 1026 O VAL B 92 28.721 4.786 -3.338 1.00 0.00 O ATOM 1027 CB VAL B 92 32.036 4.519 -3.695 1.00 0.00 C ATOM 1028 CG1 VAL B 92 31.823 4.547 -2.189 1.00 0.00 C ATOM 1029 CG2 VAL B 92 33.197 3.603 -4.056 1.00 0.00 C ATOM 0 H VAL B 92 31.913 4.185 -6.168 1.00 0.00 H new ATOM 0 HA VAL B 92 30.460 3.089 -4.067 1.00 0.00 H new ATOM 0 HB VAL B 92 32.281 5.530 -4.020 1.00 0.00 H new ATOM 0 HG11 VAL B 92 32.744 4.861 -1.697 1.00 0.00 H new ATOM 0 HG12 VAL B 92 31.025 5.249 -1.947 1.00 0.00 H new ATOM 0 HG13 VAL B 92 31.548 3.551 -1.842 1.00 0.00 H new ATOM 0 HG21 VAL B 92 34.095 3.930 -3.532 1.00 0.00 H new ATOM 0 HG22 VAL B 92 32.958 2.580 -3.764 1.00 0.00 H new ATOM 0 HG23 VAL B 92 33.370 3.642 -5.131 1.00 0.00 H new ATOM 1039 N VAL B 93 29.693 6.233 -4.745 1.00 0.00 N ATOM 1040 CA VAL B 93 28.674 7.251 -4.551 1.00 0.00 C ATOM 1041 C VAL B 93 27.381 6.865 -5.269 1.00 0.00 C ATOM 1042 O VAL B 93 26.304 7.361 -4.938 1.00 0.00 O ATOM 1043 CB VAL B 93 29.160 8.638 -5.031 1.00 0.00 C ATOM 1044 CG1 VAL B 93 29.483 8.617 -6.517 1.00 0.00 C ATOM 1045 CG2 VAL B 93 28.135 9.718 -4.713 1.00 0.00 C ATOM 0 H VAL B 93 30.437 6.495 -5.391 1.00 0.00 H new ATOM 0 HA VAL B 93 28.475 7.316 -3.481 1.00 0.00 H new ATOM 0 HB VAL B 93 30.076 8.876 -4.490 1.00 0.00 H new ATOM 0 HG11 VAL B 93 29.823 9.604 -6.830 1.00 0.00 H new ATOM 0 HG12 VAL B 93 30.268 7.886 -6.708 1.00 0.00 H new ATOM 0 HG13 VAL B 93 28.590 8.346 -7.080 1.00 0.00 H new ATOM 0 HG21 VAL B 93 28.503 10.683 -5.062 1.00 0.00 H new ATOM 0 HG22 VAL B 93 27.195 9.486 -5.213 1.00 0.00 H new ATOM 0 HG23 VAL B 93 27.972 9.759 -3.636 1.00 0.00 H new ATOM 1055 N ASP B 94 27.480 5.954 -6.231 1.00 0.00 N ATOM 1056 CA ASP B 94 26.307 5.538 -6.981 1.00 0.00 C ATOM 1057 C ASP B 94 25.395 4.685 -6.124 1.00 0.00 C ATOM 1058 O ASP B 94 24.263 5.060 -5.904 1.00 0.00 O ATOM 1059 CB ASP B 94 26.672 4.795 -8.258 1.00 0.00 C ATOM 1060 CG ASP B 94 26.211 5.539 -9.496 1.00 0.00 C ATOM 1061 OD1 ASP B 94 25.938 6.755 -9.403 1.00 0.00 O ATOM 1062 OD2 ASP B 94 26.115 4.913 -10.572 1.00 0.00 O ATOM 0 H ASP B 94 28.349 5.496 -6.505 1.00 0.00 H new ATOM 0 HA ASP B 94 25.779 6.447 -7.269 1.00 0.00 H new ATOM 0 HB2 ASP B 94 27.752 4.654 -8.300 1.00 0.00 H new ATOM 0 HB3 ASP B 94 26.222 3.803 -8.242 1.00 0.00 H new ATOM 1067 N ASP B 95 25.886 3.564 -5.594 1.00 0.00 N ATOM 1068 CA ASP B 95 25.039 2.713 -4.742 1.00 0.00 C ATOM 1069 C ASP B 95 24.612 3.482 -3.502 1.00 0.00 C ATOM 1070 O ASP B 95 23.671 3.112 -2.809 1.00 0.00 O ATOM 1071 CB ASP B 95 25.745 1.418 -4.319 1.00 0.00 C ATOM 1072 CG ASP B 95 26.913 1.650 -3.376 1.00 0.00 C ATOM 1073 OD1 ASP B 95 26.696 1.669 -2.143 1.00 0.00 O ATOM 1074 OD2 ASP B 95 28.054 1.801 -3.858 1.00 0.00 O ATOM 0 H ASP B 95 26.839 3.226 -5.731 1.00 0.00 H new ATOM 0 HA ASP B 95 24.167 2.436 -5.334 1.00 0.00 H new ATOM 0 HB2 ASP B 95 25.023 0.760 -3.836 1.00 0.00 H new ATOM 0 HB3 ASP B 95 26.103 0.900 -5.209 1.00 0.00 H new ATOM 1079 N ARG B 96 25.307 4.569 -3.248 1.00 0.00 N ATOM 1080 CA ARG B 96 25.009 5.438 -2.128 1.00 0.00 C ATOM 1081 C ARG B 96 23.771 6.267 -2.450 1.00 0.00 C ATOM 1082 O ARG B 96 22.755 6.193 -1.758 1.00 0.00 O ATOM 1083 CB ARG B 96 26.209 6.346 -1.868 1.00 0.00 C ATOM 1084 CG ARG B 96 26.081 7.246 -0.654 1.00 0.00 C ATOM 1085 CD ARG B 96 27.279 8.174 -0.555 1.00 0.00 C ATOM 1086 NE ARG B 96 27.302 8.920 0.698 1.00 0.00 N ATOM 1087 CZ ARG B 96 28.111 9.949 0.936 1.00 0.00 C ATOM 1088 NH1 ARG B 96 28.908 10.409 -0.018 1.00 0.00 N ATOM 1089 NH2 ARG B 96 28.115 10.517 2.132 1.00 0.00 N ATOM 0 H ARG B 96 26.098 4.877 -3.814 1.00 0.00 H new ATOM 0 HA ARG B 96 24.812 4.847 -1.234 1.00 0.00 H new ATOM 0 HB2 ARG B 96 27.097 5.725 -1.749 1.00 0.00 H new ATOM 0 HB3 ARG B 96 26.372 6.969 -2.748 1.00 0.00 H new ATOM 0 HG2 ARG B 96 25.164 7.831 -0.722 1.00 0.00 H new ATOM 0 HG3 ARG B 96 26.006 6.641 0.249 1.00 0.00 H new ATOM 0 HD2 ARG B 96 28.195 7.591 -0.644 1.00 0.00 H new ATOM 0 HD3 ARG B 96 27.264 8.873 -1.391 1.00 0.00 H new ATOM 0 HE ARG B 96 26.659 8.636 1.437 1.00 0.00 H new ATOM 0 HH11 ARG B 96 28.903 9.974 -0.940 1.00 0.00 H new ATOM 0 HH12 ARG B 96 29.526 11.198 0.170 1.00 0.00 H new ATOM 0 HH21 ARG B 96 27.500 10.165 2.866 1.00 0.00 H new ATOM 0 HH22 ARG B 96 28.733 11.306 2.320 1.00 0.00 H new ATOM 1103 N ARG B 97 23.865 7.026 -3.533 1.00 0.00 N ATOM 1104 CA ARG B 97 22.793 7.908 -3.972 1.00 0.00 C ATOM 1105 C ARG B 97 21.672 7.117 -4.645 1.00 0.00 C ATOM 1106 O ARG B 97 20.516 7.243 -4.275 1.00 0.00 O ATOM 1107 CB ARG B 97 23.380 8.964 -4.925 1.00 0.00 C ATOM 1108 CG ARG B 97 22.362 9.810 -5.681 1.00 0.00 C ATOM 1109 CD ARG B 97 21.978 9.181 -7.018 1.00 0.00 C ATOM 1110 NE ARG B 97 23.154 8.806 -7.813 1.00 0.00 N ATOM 1111 CZ ARG B 97 23.824 9.644 -8.606 1.00 0.00 C ATOM 1112 NH1 ARG B 97 23.437 10.909 -8.718 1.00 0.00 N ATOM 1113 NH2 ARG B 97 24.877 9.214 -9.291 1.00 0.00 N ATOM 0 H ARG B 97 24.689 7.047 -4.133 1.00 0.00 H new ATOM 0 HA ARG B 97 22.355 8.407 -3.107 1.00 0.00 H new ATOM 0 HB2 ARG B 97 24.022 9.630 -4.349 1.00 0.00 H new ATOM 0 HB3 ARG B 97 24.016 8.458 -5.652 1.00 0.00 H new ATOM 0 HG2 ARG B 97 21.469 9.935 -5.069 1.00 0.00 H new ATOM 0 HG3 ARG B 97 22.773 10.805 -5.853 1.00 0.00 H new ATOM 0 HD2 ARG B 97 21.366 8.297 -6.839 1.00 0.00 H new ATOM 0 HD3 ARG B 97 21.367 9.883 -7.585 1.00 0.00 H new ATOM 0 HE ARG B 97 23.480 7.841 -7.755 1.00 0.00 H new ATOM 0 HH11 ARG B 97 22.626 11.242 -8.197 1.00 0.00 H new ATOM 0 HH12 ARG B 97 23.951 11.548 -9.325 1.00 0.00 H new ATOM 0 HH21 ARG B 97 25.175 8.242 -9.211 1.00 0.00 H new ATOM 0 HH22 ARG B 97 25.388 9.856 -9.897 1.00 0.00 H new ATOM 1127 N GLU B 98 22.046 6.290 -5.609 1.00 0.00 N ATOM 1128 CA GLU B 98 21.107 5.541 -6.445 1.00 0.00 C ATOM 1129 C GLU B 98 20.192 4.632 -5.634 1.00 0.00 C ATOM 1130 O GLU B 98 18.994 4.549 -5.904 1.00 0.00 O ATOM 1131 CB GLU B 98 21.887 4.710 -7.463 1.00 0.00 C ATOM 1132 CG GLU B 98 22.255 5.484 -8.715 1.00 0.00 C ATOM 1133 CD GLU B 98 21.048 5.800 -9.573 1.00 0.00 C ATOM 1134 OE1 GLU B 98 20.788 5.049 -10.541 1.00 0.00 O ATOM 1135 OE2 GLU B 98 20.349 6.794 -9.289 1.00 0.00 O ATOM 0 H GLU B 98 23.024 6.114 -5.840 1.00 0.00 H new ATOM 0 HA GLU B 98 20.470 6.267 -6.950 1.00 0.00 H new ATOM 0 HB2 GLU B 98 22.798 4.336 -6.995 1.00 0.00 H new ATOM 0 HB3 GLU B 98 21.293 3.841 -7.744 1.00 0.00 H new ATOM 0 HG2 GLU B 98 22.750 6.413 -8.432 1.00 0.00 H new ATOM 0 HG3 GLU B 98 22.971 4.906 -9.299 1.00 0.00 H new ATOM 1142 N LEU B 99 20.753 3.951 -4.650 1.00 0.00 N ATOM 1143 CA LEU B 99 19.974 3.033 -3.837 1.00 0.00 C ATOM 1144 C LEU B 99 18.928 3.797 -3.030 1.00 0.00 C ATOM 1145 O LEU B 99 17.738 3.519 -3.138 1.00 0.00 O ATOM 1146 CB LEU B 99 20.905 2.228 -2.929 1.00 0.00 C ATOM 1147 CG LEU B 99 20.270 1.127 -2.072 1.00 0.00 C ATOM 1148 CD1 LEU B 99 19.930 1.674 -0.702 1.00 0.00 C ATOM 1149 CD2 LEU B 99 19.034 0.539 -2.740 1.00 0.00 C ATOM 0 H LEU B 99 21.739 4.015 -4.396 1.00 0.00 H new ATOM 0 HA LEU B 99 19.445 2.335 -4.485 1.00 0.00 H new ATOM 0 HB2 LEU B 99 21.672 1.770 -3.553 1.00 0.00 H new ATOM 0 HB3 LEU B 99 21.412 2.925 -2.262 1.00 0.00 H new ATOM 0 HG LEU B 99 20.994 0.319 -1.964 1.00 0.00 H new ATOM 0 HD11 LEU B 99 19.479 0.887 -0.098 1.00 0.00 H new ATOM 0 HD12 LEU B 99 20.839 2.029 -0.216 1.00 0.00 H new ATOM 0 HD13 LEU B 99 19.227 2.501 -0.804 1.00 0.00 H new ATOM 0 HD21 LEU B 99 18.611 -0.238 -2.103 1.00 0.00 H new ATOM 0 HD22 LEU B 99 18.294 1.325 -2.893 1.00 0.00 H new ATOM 0 HD23 LEU B 99 19.311 0.109 -3.703 1.00 0.00 H new ATOM 1161 N GLN B 100 19.361 4.776 -2.244 1.00 0.00 N ATOM 1162 CA GLN B 100 18.419 5.567 -1.462 1.00 0.00 C ATOM 1163 C GLN B 100 17.502 6.368 -2.388 1.00 0.00 C ATOM 1164 O GLN B 100 16.374 6.695 -2.032 1.00 0.00 O ATOM 1165 CB GLN B 100 19.146 6.500 -0.491 1.00 0.00 C ATOM 1166 CG GLN B 100 20.026 7.549 -1.150 1.00 0.00 C ATOM 1167 CD GLN B 100 20.765 8.401 -0.135 1.00 0.00 C ATOM 1168 OE1 GLN B 100 20.265 9.430 0.317 1.00 0.00 O ATOM 1169 NE2 GLN B 100 21.966 7.983 0.225 1.00 0.00 N ATOM 0 H GLN B 100 20.340 5.038 -2.132 1.00 0.00 H new ATOM 0 HA GLN B 100 17.812 4.880 -0.872 1.00 0.00 H new ATOM 0 HB2 GLN B 100 18.405 7.005 0.128 1.00 0.00 H new ATOM 0 HB3 GLN B 100 19.762 5.897 0.177 1.00 0.00 H new ATOM 0 HG2 GLN B 100 20.748 7.057 -1.802 1.00 0.00 H new ATOM 0 HG3 GLN B 100 19.412 8.191 -1.781 1.00 0.00 H new ATOM 0 HE21 GLN B 100 22.347 7.124 -0.172 1.00 0.00 H new ATOM 0 HE22 GLN B 100 22.512 8.519 0.900 1.00 0.00 H new ATOM 1178 N TYR B 101 18.000 6.661 -3.579 1.00 0.00 N ATOM 1179 CA TYR B 101 17.249 7.388 -4.600 1.00 0.00 C ATOM 1180 C TYR B 101 15.918 6.702 -4.896 1.00 0.00 C ATOM 1181 O TYR B 101 14.878 7.359 -4.940 1.00 0.00 O ATOM 1182 CB TYR B 101 18.075 7.490 -5.885 1.00 0.00 C ATOM 1183 CG TYR B 101 17.624 8.570 -6.841 1.00 0.00 C ATOM 1184 CD1 TYR B 101 18.060 9.878 -6.684 1.00 0.00 C ATOM 1185 CD2 TYR B 101 16.787 8.280 -7.911 1.00 0.00 C ATOM 1186 CE1 TYR B 101 17.675 10.868 -7.563 1.00 0.00 C ATOM 1187 CE2 TYR B 101 16.393 9.268 -8.793 1.00 0.00 C ATOM 1188 CZ TYR B 101 16.842 10.558 -8.615 1.00 0.00 C ATOM 1189 OH TYR B 101 16.472 11.544 -9.499 1.00 0.00 O ATOM 0 H TYR B 101 18.942 6.401 -3.870 1.00 0.00 H new ATOM 0 HA TYR B 101 17.043 8.389 -4.220 1.00 0.00 H new ATOM 0 HB2 TYR B 101 19.116 7.671 -5.618 1.00 0.00 H new ATOM 0 HB3 TYR B 101 18.041 6.530 -6.400 1.00 0.00 H new ATOM 0 HD1 TYR B 101 18.712 10.125 -5.859 1.00 0.00 H new ATOM 0 HD2 TYR B 101 16.439 7.268 -8.056 1.00 0.00 H new ATOM 0 HE1 TYR B 101 18.025 11.881 -7.427 1.00 0.00 H new ATOM 0 HE2 TYR B 101 15.737 9.030 -9.617 1.00 0.00 H new ATOM 0 HH TYR B 101 15.884 11.165 -10.185 1.00 0.00 H new ATOM 1199 N ARG B 102 15.950 5.381 -5.086 1.00 0.00 N ATOM 1200 CA ARG B 102 14.728 4.620 -5.362 1.00 0.00 C ATOM 1201 C ARG B 102 13.835 4.586 -4.128 1.00 0.00 C ATOM 1202 O ARG B 102 12.623 4.397 -4.223 1.00 0.00 O ATOM 1203 CB ARG B 102 15.043 3.189 -5.814 1.00 0.00 C ATOM 1204 CG ARG B 102 15.557 2.288 -4.704 1.00 0.00 C ATOM 1205 CD ARG B 102 15.738 0.855 -5.175 1.00 0.00 C ATOM 1206 NE ARG B 102 16.711 0.747 -6.260 1.00 0.00 N ATOM 1207 CZ ARG B 102 17.413 -0.355 -6.522 1.00 0.00 C ATOM 1208 NH1 ARG B 102 17.280 -1.433 -5.758 1.00 0.00 N ATOM 1209 NH2 ARG B 102 18.256 -0.378 -7.541 1.00 0.00 N ATOM 0 H ARG B 102 16.801 4.819 -5.054 1.00 0.00 H new ATOM 0 HA ARG B 102 14.205 5.124 -6.175 1.00 0.00 H new ATOM 0 HB2 ARG B 102 14.142 2.747 -6.239 1.00 0.00 H new ATOM 0 HB3 ARG B 102 15.786 3.226 -6.611 1.00 0.00 H new ATOM 0 HG2 ARG B 102 16.508 2.672 -4.336 1.00 0.00 H new ATOM 0 HG3 ARG B 102 14.859 2.310 -3.867 1.00 0.00 H new ATOM 0 HD2 ARG B 102 16.061 0.237 -4.337 1.00 0.00 H new ATOM 0 HD3 ARG B 102 14.778 0.461 -5.510 1.00 0.00 H new ATOM 0 HE ARG B 102 16.862 1.564 -6.852 1.00 0.00 H new ATOM 0 HH11 ARG B 102 16.638 -1.420 -4.966 1.00 0.00 H new ATOM 0 HH12 ARG B 102 17.820 -2.274 -5.964 1.00 0.00 H new ATOM 0 HH21 ARG B 102 18.370 0.449 -8.128 1.00 0.00 H new ATOM 0 HH22 ARG B 102 18.793 -1.222 -7.740 1.00 0.00 H new ATOM 1223 N VAL B 103 14.442 4.787 -2.974 1.00 0.00 N ATOM 1224 CA VAL B 103 13.710 4.795 -1.722 1.00 0.00 C ATOM 1225 C VAL B 103 12.961 6.122 -1.559 1.00 0.00 C ATOM 1226 O VAL B 103 11.803 6.141 -1.144 1.00 0.00 O ATOM 1227 CB VAL B 103 14.658 4.558 -0.525 1.00 0.00 C ATOM 1228 CG1 VAL B 103 13.874 4.176 0.716 1.00 0.00 C ATOM 1229 CG2 VAL B 103 15.688 3.480 -0.849 1.00 0.00 C ATOM 0 H VAL B 103 15.445 4.948 -2.878 1.00 0.00 H new ATOM 0 HA VAL B 103 12.985 3.981 -1.742 1.00 0.00 H new ATOM 0 HB VAL B 103 15.186 5.491 -0.329 1.00 0.00 H new ATOM 0 HG11 VAL B 103 14.562 4.014 1.546 1.00 0.00 H new ATOM 0 HG12 VAL B 103 13.182 4.978 0.970 1.00 0.00 H new ATOM 0 HG13 VAL B 103 13.314 3.260 0.525 1.00 0.00 H new ATOM 0 HG21 VAL B 103 16.343 3.333 0.010 1.00 0.00 H new ATOM 0 HG22 VAL B 103 15.176 2.546 -1.080 1.00 0.00 H new ATOM 0 HG23 VAL B 103 16.282 3.791 -1.709 1.00 0.00 H new ATOM 1239 N GLU B 104 13.617 7.228 -1.909 1.00 0.00 N ATOM 1240 CA GLU B 104 12.981 8.544 -1.829 1.00 0.00 C ATOM 1241 C GLU B 104 11.964 8.792 -2.944 1.00 0.00 C ATOM 1242 O GLU B 104 11.037 9.575 -2.753 1.00 0.00 O ATOM 1243 CB GLU B 104 14.007 9.681 -1.785 1.00 0.00 C ATOM 1244 CG GLU B 104 15.165 9.511 -2.736 1.00 0.00 C ATOM 1245 CD GLU B 104 16.081 10.716 -2.748 1.00 0.00 C ATOM 1246 OE1 GLU B 104 15.774 11.693 -3.465 1.00 0.00 O ATOM 1247 OE2 GLU B 104 17.107 10.704 -2.036 1.00 0.00 O ATOM 0 H GLU B 104 14.579 7.241 -2.248 1.00 0.00 H new ATOM 0 HA GLU B 104 12.433 8.537 -0.887 1.00 0.00 H new ATOM 0 HB2 GLU B 104 13.501 10.620 -2.011 1.00 0.00 H new ATOM 0 HB3 GLU B 104 14.395 9.765 -0.770 1.00 0.00 H new ATOM 0 HG2 GLU B 104 15.736 8.626 -2.455 1.00 0.00 H new ATOM 0 HG3 GLU B 104 14.783 9.338 -3.742 1.00 0.00 H new ATOM 1254 N VAL B 105 12.107 8.152 -4.107 1.00 0.00 N ATOM 1255 CA VAL B 105 11.039 8.238 -5.103 1.00 0.00 C ATOM 1256 C VAL B 105 9.795 7.579 -4.548 1.00 0.00 C ATOM 1257 O VAL B 105 8.705 8.082 -4.727 1.00 0.00 O ATOM 1258 CB VAL B 105 11.401 7.652 -6.498 1.00 0.00 C ATOM 1259 CG1 VAL B 105 12.424 6.551 -6.398 1.00 0.00 C ATOM 1260 CG2 VAL B 105 10.176 7.129 -7.225 1.00 0.00 C ATOM 0 H VAL B 105 12.916 7.591 -4.375 1.00 0.00 H new ATOM 0 HA VAL B 105 10.868 9.299 -5.287 1.00 0.00 H new ATOM 0 HB VAL B 105 11.827 8.477 -7.069 1.00 0.00 H new ATOM 0 HG11 VAL B 105 12.648 6.170 -7.395 1.00 0.00 H new ATOM 0 HG12 VAL B 105 13.336 6.941 -5.946 1.00 0.00 H new ATOM 0 HG13 VAL B 105 12.030 5.743 -5.781 1.00 0.00 H new ATOM 0 HG21 VAL B 105 10.472 6.728 -8.195 1.00 0.00 H new ATOM 0 HG22 VAL B 105 9.711 6.341 -6.633 1.00 0.00 H new ATOM 0 HG23 VAL B 105 9.464 7.942 -7.370 1.00 0.00 H new ATOM 1270 N GLN B 106 9.971 6.484 -3.825 1.00 0.00 N ATOM 1271 CA GLN B 106 8.854 5.846 -3.146 1.00 0.00 C ATOM 1272 C GLN B 106 8.221 6.815 -2.147 1.00 0.00 C ATOM 1273 O GLN B 106 6.998 6.945 -2.086 1.00 0.00 O ATOM 1274 CB GLN B 106 9.317 4.563 -2.452 1.00 0.00 C ATOM 1275 CG GLN B 106 9.703 3.459 -3.421 1.00 0.00 C ATOM 1276 CD GLN B 106 8.557 3.056 -4.330 1.00 0.00 C ATOM 1277 OE1 GLN B 106 7.776 2.166 -4.003 1.00 0.00 O ATOM 1278 NE2 GLN B 106 8.443 3.712 -5.473 1.00 0.00 N ATOM 0 H GLN B 106 10.870 6.021 -3.694 1.00 0.00 H new ATOM 0 HA GLN B 106 8.098 5.576 -3.883 1.00 0.00 H new ATOM 0 HB2 GLN B 106 10.171 4.792 -1.814 1.00 0.00 H new ATOM 0 HB3 GLN B 106 8.520 4.203 -1.801 1.00 0.00 H new ATOM 0 HG2 GLN B 106 10.545 3.791 -4.029 1.00 0.00 H new ATOM 0 HG3 GLN B 106 10.040 2.588 -2.859 1.00 0.00 H new ATOM 0 HE21 GLN B 106 9.112 4.445 -5.709 1.00 0.00 H new ATOM 0 HE22 GLN B 106 7.686 3.485 -6.118 1.00 0.00 H new ATOM 1287 N ASN B 107 9.068 7.514 -1.394 1.00 0.00 N ATOM 1288 CA ASN B 107 8.621 8.551 -0.460 1.00 0.00 C ATOM 1289 C ASN B 107 7.836 9.647 -1.183 1.00 0.00 C ATOM 1290 O ASN B 107 6.834 10.151 -0.681 1.00 0.00 O ATOM 1291 CB ASN B 107 9.827 9.164 0.257 1.00 0.00 C ATOM 1292 CG ASN B 107 9.489 10.469 0.955 1.00 0.00 C ATOM 1293 OD1 ASN B 107 9.673 11.551 0.393 1.00 0.00 O ATOM 1294 ND2 ASN B 107 8.975 10.379 2.167 1.00 0.00 N ATOM 0 H ASN B 107 10.079 7.380 -1.412 1.00 0.00 H new ATOM 0 HA ASN B 107 7.961 8.085 0.271 1.00 0.00 H new ATOM 0 HB2 ASN B 107 10.210 8.453 0.989 1.00 0.00 H new ATOM 0 HB3 ASN B 107 10.625 9.338 -0.465 1.00 0.00 H new ATOM 0 HD21 ASN B 107 8.714 11.224 2.674 1.00 0.00 H new ATOM 0 HD22 ASN B 107 8.839 9.464 2.597 1.00 0.00 H new ATOM 1301 N ARG B 108 8.310 10.025 -2.357 1.00 0.00 N ATOM 1302 CA ARG B 108 7.646 11.039 -3.163 1.00 0.00 C ATOM 1303 C ARG B 108 6.351 10.499 -3.766 1.00 0.00 C ATOM 1304 O ARG B 108 5.304 11.131 -3.669 1.00 0.00 O ATOM 1305 CB ARG B 108 8.584 11.517 -4.267 1.00 0.00 C ATOM 1306 CG ARG B 108 9.718 12.399 -3.767 1.00 0.00 C ATOM 1307 CD ARG B 108 10.772 12.609 -4.840 1.00 0.00 C ATOM 1308 NE ARG B 108 10.180 13.015 -6.111 1.00 0.00 N ATOM 1309 CZ ARG B 108 10.688 12.702 -7.302 1.00 0.00 C ATOM 1310 NH1 ARG B 108 11.847 12.062 -7.388 1.00 0.00 N ATOM 1311 NH2 ARG B 108 10.046 13.052 -8.408 1.00 0.00 N ATOM 0 H ARG B 108 9.158 9.643 -2.777 1.00 0.00 H new ATOM 0 HA ARG B 108 7.391 11.880 -2.518 1.00 0.00 H new ATOM 0 HB2 ARG B 108 9.007 10.649 -4.773 1.00 0.00 H new ATOM 0 HB3 ARG B 108 8.006 12.069 -5.009 1.00 0.00 H new ATOM 0 HG2 ARG B 108 9.319 13.364 -3.453 1.00 0.00 H new ATOM 0 HG3 ARG B 108 10.176 11.943 -2.890 1.00 0.00 H new ATOM 0 HD2 ARG B 108 11.480 13.369 -4.510 1.00 0.00 H new ATOM 0 HD3 ARG B 108 11.336 11.687 -4.980 1.00 0.00 H new ATOM 0 HE ARG B 108 9.326 13.572 -6.086 1.00 0.00 H new ATOM 0 HH11 ARG B 108 12.353 11.807 -6.540 1.00 0.00 H new ATOM 0 HH12 ARG B 108 12.232 11.825 -8.302 1.00 0.00 H new ATOM 0 HH21 ARG B 108 9.164 13.560 -8.346 1.00 0.00 H new ATOM 0 HH22 ARG B 108 10.434 12.813 -9.320 1.00 0.00 H new ATOM 1325 N VAL B 109 6.439 9.321 -4.366 1.00 0.00 N ATOM 1326 CA VAL B 109 5.307 8.677 -5.025 1.00 0.00 C ATOM 1327 C VAL B 109 4.160 8.438 -4.060 1.00 0.00 C ATOM 1328 O VAL B 109 3.037 8.865 -4.309 1.00 0.00 O ATOM 1329 CB VAL B 109 5.719 7.333 -5.663 1.00 0.00 C ATOM 1330 CG1 VAL B 109 4.504 6.568 -6.177 1.00 0.00 C ATOM 1331 CG2 VAL B 109 6.716 7.571 -6.786 1.00 0.00 C ATOM 0 H VAL B 109 7.302 8.780 -4.411 1.00 0.00 H new ATOM 0 HA VAL B 109 4.974 9.359 -5.808 1.00 0.00 H new ATOM 0 HB VAL B 109 6.193 6.723 -4.894 1.00 0.00 H new ATOM 0 HG11 VAL B 109 4.828 5.626 -6.620 1.00 0.00 H new ATOM 0 HG12 VAL B 109 3.825 6.365 -5.349 1.00 0.00 H new ATOM 0 HG13 VAL B 109 3.990 7.165 -6.930 1.00 0.00 H new ATOM 0 HG21 VAL B 109 7.000 6.616 -7.229 1.00 0.00 H new ATOM 0 HG22 VAL B 109 6.261 8.204 -7.548 1.00 0.00 H new ATOM 0 HG23 VAL B 109 7.603 8.064 -6.387 1.00 0.00 H new ATOM 1341 N TYR B 110 4.448 7.768 -2.955 1.00 0.00 N ATOM 1342 CA TYR B 110 3.419 7.469 -1.969 1.00 0.00 C ATOM 1343 C TYR B 110 2.853 8.754 -1.368 1.00 0.00 C ATOM 1344 O TYR B 110 1.695 8.800 -0.955 1.00 0.00 O ATOM 1345 CB TYR B 110 3.960 6.558 -0.866 1.00 0.00 C ATOM 1346 CG TYR B 110 4.261 5.144 -1.312 1.00 0.00 C ATOM 1347 CD1 TYR B 110 5.406 4.491 -0.876 1.00 0.00 C ATOM 1348 CD2 TYR B 110 3.398 4.461 -2.160 1.00 0.00 C ATOM 1349 CE1 TYR B 110 5.682 3.197 -1.270 1.00 0.00 C ATOM 1350 CE2 TYR B 110 3.668 3.168 -2.559 1.00 0.00 C ATOM 1351 CZ TYR B 110 4.810 2.541 -2.112 1.00 0.00 C ATOM 1352 OH TYR B 110 5.078 1.251 -2.504 1.00 0.00 O ATOM 0 H TYR B 110 5.378 7.423 -2.719 1.00 0.00 H new ATOM 0 HA TYR B 110 2.613 6.942 -2.480 1.00 0.00 H new ATOM 0 HB2 TYR B 110 4.871 7.000 -0.462 1.00 0.00 H new ATOM 0 HB3 TYR B 110 3.235 6.523 -0.053 1.00 0.00 H new ATOM 0 HD1 TYR B 110 6.092 5.004 -0.218 1.00 0.00 H new ATOM 0 HD2 TYR B 110 2.502 4.950 -2.512 1.00 0.00 H new ATOM 0 HE1 TYR B 110 6.576 2.702 -0.921 1.00 0.00 H new ATOM 0 HE2 TYR B 110 2.987 2.650 -3.218 1.00 0.00 H new ATOM 0 HH TYR B 110 5.919 1.230 -3.007 1.00 0.00 H new ATOM 1362 N LYS B 111 3.666 9.802 -1.333 1.00 0.00 N ATOM 1363 CA LYS B 111 3.202 11.100 -0.865 1.00 0.00 C ATOM 1364 C LYS B 111 2.273 11.723 -1.899 1.00 0.00 C ATOM 1365 O LYS B 111 1.259 12.319 -1.549 1.00 0.00 O ATOM 1366 CB LYS B 111 4.389 12.022 -0.555 1.00 0.00 C ATOM 1367 CG LYS B 111 3.997 13.461 -0.252 1.00 0.00 C ATOM 1368 CD LYS B 111 5.070 14.214 0.536 1.00 0.00 C ATOM 1369 CE LYS B 111 6.455 14.123 -0.100 1.00 0.00 C ATOM 1370 NZ LYS B 111 7.219 12.936 0.378 1.00 0.00 N ATOM 0 H LYS B 111 4.644 9.779 -1.621 1.00 0.00 H new ATOM 0 HA LYS B 111 2.643 10.963 0.061 1.00 0.00 H new ATOM 0 HB2 LYS B 111 4.935 11.619 0.298 1.00 0.00 H new ATOM 0 HB3 LYS B 111 5.072 12.014 -1.404 1.00 0.00 H new ATOM 0 HG2 LYS B 111 3.805 13.985 -1.188 1.00 0.00 H new ATOM 0 HG3 LYS B 111 3.065 13.468 0.314 1.00 0.00 H new ATOM 0 HD2 LYS B 111 4.783 15.262 0.619 1.00 0.00 H new ATOM 0 HD3 LYS B 111 5.115 13.815 1.549 1.00 0.00 H new ATOM 0 HE2 LYS B 111 6.352 14.074 -1.184 1.00 0.00 H new ATOM 0 HE3 LYS B 111 7.017 15.029 0.126 1.00 0.00 H new ATOM 0 HZ1 LYS B 111 8.239 13.124 0.298 1.00 0.00 H new ATOM 0 HZ2 LYS B 111 6.979 12.746 1.372 1.00 0.00 H new ATOM 0 HZ3 LYS B 111 6.974 12.109 -0.202 1.00 0.00 H new ATOM 1384 N LYS B 112 2.617 11.554 -3.171 1.00 0.00 N ATOM 1385 CA LYS B 112 1.767 11.996 -4.272 1.00 0.00 C ATOM 1386 C LYS B 112 0.396 11.333 -4.187 1.00 0.00 C ATOM 1387 O LYS B 112 -0.627 11.949 -4.497 1.00 0.00 O ATOM 1388 CB LYS B 112 2.425 11.665 -5.611 1.00 0.00 C ATOM 1389 CG LYS B 112 3.629 12.534 -5.926 1.00 0.00 C ATOM 1390 CD LYS B 112 4.467 11.953 -7.055 1.00 0.00 C ATOM 1391 CE LYS B 112 3.620 11.618 -8.272 1.00 0.00 C ATOM 1392 NZ LYS B 112 4.451 11.215 -9.437 1.00 0.00 N ATOM 0 H LYS B 112 3.486 11.110 -3.467 1.00 0.00 H new ATOM 0 HA LYS B 112 1.638 13.076 -4.197 1.00 0.00 H new ATOM 0 HB2 LYS B 112 2.733 10.619 -5.607 1.00 0.00 H new ATOM 0 HB3 LYS B 112 1.688 11.777 -6.406 1.00 0.00 H new ATOM 0 HG2 LYS B 112 3.293 13.534 -6.200 1.00 0.00 H new ATOM 0 HG3 LYS B 112 4.245 12.638 -5.033 1.00 0.00 H new ATOM 0 HD2 LYS B 112 5.242 12.666 -7.337 1.00 0.00 H new ATOM 0 HD3 LYS B 112 4.973 11.053 -6.706 1.00 0.00 H new ATOM 0 HE2 LYS B 112 2.931 10.811 -8.023 1.00 0.00 H new ATOM 0 HE3 LYS B 112 3.014 12.483 -8.541 1.00 0.00 H new ATOM 0 HZ1 LYS B 112 3.834 10.995 -10.245 1.00 0.00 H new ATOM 0 HZ2 LYS B 112 5.091 11.994 -9.692 1.00 0.00 H new ATOM 0 HZ3 LYS B 112 5.010 10.374 -9.190 1.00 0.00 H new ATOM 1406 N GLU B 113 0.391 10.075 -3.766 1.00 0.00 N ATOM 1407 CA GLU B 113 -0.848 9.353 -3.524 1.00 0.00 C ATOM 1408 C GLU B 113 -1.670 10.089 -2.477 1.00 0.00 C ATOM 1409 O GLU B 113 -2.830 10.422 -2.700 1.00 0.00 O ATOM 1410 CB GLU B 113 -0.558 7.936 -3.046 1.00 0.00 C ATOM 1411 CG GLU B 113 0.438 7.202 -3.923 1.00 0.00 C ATOM 1412 CD GLU B 113 -0.013 7.095 -5.364 1.00 0.00 C ATOM 1413 OE1 GLU B 113 -0.572 6.042 -5.729 1.00 0.00 O ATOM 1414 OE2 GLU B 113 0.190 8.054 -6.136 1.00 0.00 O ATOM 0 H GLU B 113 1.236 9.533 -3.585 1.00 0.00 H new ATOM 0 HA GLU B 113 -1.408 9.297 -4.457 1.00 0.00 H new ATOM 0 HB2 GLU B 113 -0.175 7.975 -2.026 1.00 0.00 H new ATOM 0 HB3 GLU B 113 -1.490 7.372 -3.015 1.00 0.00 H new ATOM 0 HG2 GLU B 113 1.397 7.718 -3.885 1.00 0.00 H new ATOM 0 HG3 GLU B 113 0.599 6.201 -3.523 1.00 0.00 H new ATOM 1421 N ILE B 114 -1.036 10.362 -1.345 1.00 0.00 N ATOM 1422 CA ILE B 114 -1.664 11.069 -0.241 1.00 0.00 C ATOM 1423 C ILE B 114 -2.182 12.447 -0.659 1.00 0.00 C ATOM 1424 O ILE B 114 -3.198 12.902 -0.153 1.00 0.00 O ATOM 1425 CB ILE B 114 -0.671 11.205 0.927 1.00 0.00 C ATOM 1426 CG1 ILE B 114 -0.278 9.813 1.417 1.00 0.00 C ATOM 1427 CG2 ILE B 114 -1.256 12.032 2.063 1.00 0.00 C ATOM 1428 CD1 ILE B 114 0.786 9.818 2.483 1.00 0.00 C ATOM 0 H ILE B 114 -0.067 10.097 -1.167 1.00 0.00 H new ATOM 0 HA ILE B 114 -2.526 10.483 0.078 1.00 0.00 H new ATOM 0 HB ILE B 114 0.216 11.730 0.573 1.00 0.00 H new ATOM 0 HG12 ILE B 114 -1.165 9.312 1.805 1.00 0.00 H new ATOM 0 HG13 ILE B 114 0.074 9.226 0.569 1.00 0.00 H new ATOM 0 HG21 ILE B 114 -0.528 12.107 2.871 1.00 0.00 H new ATOM 0 HG22 ILE B 114 -1.499 13.030 1.699 1.00 0.00 H new ATOM 0 HG23 ILE B 114 -2.161 11.551 2.434 1.00 0.00 H new ATOM 0 HD11 ILE B 114 1.010 8.793 2.778 1.00 0.00 H new ATOM 0 HD12 ILE B 114 1.689 10.289 2.094 1.00 0.00 H new ATOM 0 HD13 ILE B 114 0.430 10.376 3.349 1.00 0.00 H new ATOM 1440 N GLN B 115 -1.492 13.103 -1.584 1.00 0.00 N ATOM 1441 CA GLN B 115 -1.940 14.399 -2.088 1.00 0.00 C ATOM 1442 C GLN B 115 -3.238 14.244 -2.868 1.00 0.00 C ATOM 1443 O GLN B 115 -4.139 15.077 -2.777 1.00 0.00 O ATOM 1444 CB GLN B 115 -0.882 15.024 -2.975 1.00 0.00 C ATOM 1445 CG GLN B 115 0.491 15.033 -2.343 1.00 0.00 C ATOM 1446 CD GLN B 115 1.467 15.908 -3.097 1.00 0.00 C ATOM 1447 OE1 GLN B 115 2.419 16.436 -2.527 1.00 0.00 O ATOM 1448 NE2 GLN B 115 1.227 16.077 -4.385 1.00 0.00 N ATOM 0 H GLN B 115 -0.625 12.763 -2.000 1.00 0.00 H new ATOM 0 HA GLN B 115 -2.113 15.053 -1.234 1.00 0.00 H new ATOM 0 HB2 GLN B 115 -0.838 14.479 -3.918 1.00 0.00 H new ATOM 0 HB3 GLN B 115 -1.173 16.047 -3.212 1.00 0.00 H new ATOM 0 HG2 GLN B 115 0.412 15.384 -1.314 1.00 0.00 H new ATOM 0 HG3 GLN B 115 0.876 14.014 -2.303 1.00 0.00 H new ATOM 0 HE21 GLN B 115 0.425 15.620 -4.819 1.00 0.00 H new ATOM 0 HE22 GLN B 115 1.844 16.665 -4.946 1.00 0.00 H new ATOM 1457 N ALA B 116 -3.314 13.171 -3.642 1.00 0.00 N ATOM 1458 CA ALA B 116 -4.542 12.818 -4.341 1.00 0.00 C ATOM 1459 C ALA B 116 -5.637 12.517 -3.328 1.00 0.00 C ATOM 1460 O ALA B 116 -6.761 13.010 -3.428 1.00 0.00 O ATOM 1461 CB ALA B 116 -4.309 11.610 -5.237 1.00 0.00 C ATOM 0 H ALA B 116 -2.538 12.528 -3.802 1.00 0.00 H new ATOM 0 HA ALA B 116 -4.852 13.657 -4.964 1.00 0.00 H new ATOM 0 HB1 ALA B 116 -5.235 11.356 -5.754 1.00 0.00 H new ATOM 0 HB2 ALA B 116 -3.537 11.844 -5.970 1.00 0.00 H new ATOM 0 HB3 ALA B 116 -3.989 10.763 -4.630 1.00 0.00 H new ATOM 1467 N LEU B 117 -5.274 11.723 -2.333 1.00 0.00 N ATOM 1468 CA LEU B 117 -6.188 11.340 -1.269 1.00 0.00 C ATOM 1469 C LEU B 117 -6.606 12.562 -0.458 1.00 0.00 C ATOM 1470 O LEU B 117 -7.682 12.591 0.122 1.00 0.00 O ATOM 1471 CB LEU B 117 -5.523 10.308 -0.354 1.00 0.00 C ATOM 1472 CG LEU B 117 -4.861 9.128 -1.073 1.00 0.00 C ATOM 1473 CD1 LEU B 117 -4.273 8.155 -0.071 1.00 0.00 C ATOM 1474 CD2 LEU B 117 -5.842 8.415 -1.989 1.00 0.00 C ATOM 0 H LEU B 117 -4.339 11.327 -2.240 1.00 0.00 H new ATOM 0 HA LEU B 117 -7.078 10.899 -1.718 1.00 0.00 H new ATOM 0 HB2 LEU B 117 -4.769 10.814 0.250 1.00 0.00 H new ATOM 0 HB3 LEU B 117 -6.274 9.919 0.334 1.00 0.00 H new ATOM 0 HG LEU B 117 -4.055 9.527 -1.690 1.00 0.00 H new ATOM 0 HD11 LEU B 117 -3.807 7.324 -0.601 1.00 0.00 H new ATOM 0 HD12 LEU B 117 -3.524 8.665 0.534 1.00 0.00 H new ATOM 0 HD13 LEU B 117 -5.065 7.775 0.575 1.00 0.00 H new ATOM 0 HD21 LEU B 117 -5.340 7.583 -2.483 1.00 0.00 H new ATOM 0 HD22 LEU B 117 -6.679 8.036 -1.402 1.00 0.00 H new ATOM 0 HD23 LEU B 117 -6.212 9.113 -2.740 1.00 0.00 H new ATOM 1486 N ASP B 118 -5.739 13.569 -0.433 1.00 0.00 N ATOM 1487 CA ASP B 118 -5.989 14.809 0.299 1.00 0.00 C ATOM 1488 C ASP B 118 -7.213 15.536 -0.253 1.00 0.00 C ATOM 1489 O ASP B 118 -7.947 16.189 0.489 1.00 0.00 O ATOM 1490 CB ASP B 118 -4.752 15.711 0.234 1.00 0.00 C ATOM 1491 CG ASP B 118 -4.977 17.079 0.844 1.00 0.00 C ATOM 1492 OD1 ASP B 118 -4.778 17.234 2.066 1.00 0.00 O ATOM 1493 OD2 ASP B 118 -5.332 18.013 0.098 1.00 0.00 O ATOM 0 H ASP B 118 -4.843 13.550 -0.919 1.00 0.00 H new ATOM 0 HA ASP B 118 -6.192 14.560 1.340 1.00 0.00 H new ATOM 0 HB2 ASP B 118 -3.926 15.222 0.750 1.00 0.00 H new ATOM 0 HB3 ASP B 118 -4.451 15.830 -0.807 1.00 0.00 H new ATOM 1498 N ALA B 119 -7.436 15.409 -1.555 1.00 0.00 N ATOM 1499 CA ALA B 119 -8.638 15.951 -2.177 1.00 0.00 C ATOM 1500 C ALA B 119 -9.866 15.227 -1.638 1.00 0.00 C ATOM 1501 O ALA B 119 -10.920 15.823 -1.391 1.00 0.00 O ATOM 1502 CB ALA B 119 -8.558 15.818 -3.688 1.00 0.00 C ATOM 0 H ALA B 119 -6.802 14.937 -2.200 1.00 0.00 H new ATOM 0 HA ALA B 119 -8.719 17.010 -1.934 1.00 0.00 H new ATOM 0 HB1 ALA B 119 -9.463 16.227 -4.138 1.00 0.00 H new ATOM 0 HB2 ALA B 119 -7.690 16.366 -4.056 1.00 0.00 H new ATOM 0 HB3 ALA B 119 -8.463 14.766 -3.956 1.00 0.00 H new ATOM 1508 N GLU B 120 -9.716 13.931 -1.440 1.00 0.00 N ATOM 1509 CA GLU B 120 -10.752 13.136 -0.825 1.00 0.00 C ATOM 1510 C GLU B 120 -10.858 13.448 0.668 1.00 0.00 C ATOM 1511 O GLU B 120 -11.914 13.303 1.262 1.00 0.00 O ATOM 1512 CB GLU B 120 -10.482 11.659 -1.049 1.00 0.00 C ATOM 1513 CG GLU B 120 -11.032 11.107 -2.357 1.00 0.00 C ATOM 1514 CD GLU B 120 -10.626 11.900 -3.578 1.00 0.00 C ATOM 1515 OE1 GLU B 120 -9.537 11.640 -4.127 1.00 0.00 O ATOM 1516 OE2 GLU B 120 -11.419 12.760 -4.018 1.00 0.00 O ATOM 0 H GLU B 120 -8.880 13.407 -1.699 1.00 0.00 H new ATOM 0 HA GLU B 120 -11.705 13.388 -1.290 1.00 0.00 H new ATOM 0 HB2 GLU B 120 -9.405 11.492 -1.023 1.00 0.00 H new ATOM 0 HB3 GLU B 120 -10.912 11.095 -0.222 1.00 0.00 H new ATOM 0 HG2 GLU B 120 -10.694 10.078 -2.476 1.00 0.00 H new ATOM 0 HG3 GLU B 120 -12.120 11.080 -2.299 1.00 0.00 H new ATOM 1523 N ILE B 121 -9.766 13.864 1.284 1.00 0.00 N ATOM 1524 CA ILE B 121 -9.814 14.329 2.664 1.00 0.00 C ATOM 1525 C ILE B 121 -10.826 15.471 2.795 1.00 0.00 C ATOM 1526 O ILE B 121 -11.486 15.611 3.822 1.00 0.00 O ATOM 1527 CB ILE B 121 -8.411 14.753 3.182 1.00 0.00 C ATOM 1528 CG1 ILE B 121 -7.762 13.602 3.960 1.00 0.00 C ATOM 1529 CG2 ILE B 121 -8.481 15.998 4.052 1.00 0.00 C ATOM 1530 CD1 ILE B 121 -7.550 12.346 3.146 1.00 0.00 C ATOM 0 H ILE B 121 -8.840 13.891 0.857 1.00 0.00 H new ATOM 0 HA ILE B 121 -10.140 13.499 3.291 1.00 0.00 H new ATOM 0 HB ILE B 121 -7.799 14.991 2.312 1.00 0.00 H new ATOM 0 HG12 ILE B 121 -6.800 13.937 4.347 1.00 0.00 H new ATOM 0 HG13 ILE B 121 -8.386 13.363 4.821 1.00 0.00 H new ATOM 0 HG21 ILE B 121 -7.480 16.260 4.393 1.00 0.00 H new ATOM 0 HG22 ILE B 121 -8.895 16.824 3.473 1.00 0.00 H new ATOM 0 HG23 ILE B 121 -9.119 15.804 4.914 1.00 0.00 H new ATOM 0 HD11 ILE B 121 -7.087 11.582 3.770 1.00 0.00 H new ATOM 0 HD12 ILE B 121 -8.511 11.983 2.780 1.00 0.00 H new ATOM 0 HD13 ILE B 121 -6.899 12.566 2.300 1.00 0.00 H new ATOM 1542 N ARG B 122 -10.977 16.250 1.728 1.00 0.00 N ATOM 1543 CA ARG B 122 -12.001 17.289 1.670 1.00 0.00 C ATOM 1544 C ARG B 122 -13.388 16.682 1.901 1.00 0.00 C ATOM 1545 O ARG B 122 -14.172 17.198 2.698 1.00 0.00 O ATOM 1546 CB ARG B 122 -11.954 17.994 0.313 1.00 0.00 C ATOM 1547 CG ARG B 122 -12.903 19.176 0.181 1.00 0.00 C ATOM 1548 CD ARG B 122 -12.827 19.785 -1.213 1.00 0.00 C ATOM 1549 NE ARG B 122 -11.458 20.159 -1.570 1.00 0.00 N ATOM 1550 CZ ARG B 122 -11.024 20.337 -2.818 1.00 0.00 C ATOM 1551 NH1 ARG B 122 -11.860 20.215 -3.844 1.00 0.00 N ATOM 1552 NH2 ARG B 122 -9.751 20.646 -3.036 1.00 0.00 N ATOM 0 H ARG B 122 -10.401 16.181 0.889 1.00 0.00 H new ATOM 0 HA ARG B 122 -11.805 18.019 2.455 1.00 0.00 H new ATOM 0 HB2 ARG B 122 -10.936 18.340 0.133 1.00 0.00 H new ATOM 0 HB3 ARG B 122 -12.187 17.269 -0.467 1.00 0.00 H new ATOM 0 HG2 ARG B 122 -13.924 18.852 0.385 1.00 0.00 H new ATOM 0 HG3 ARG B 122 -12.654 19.932 0.926 1.00 0.00 H new ATOM 0 HD2 ARG B 122 -13.211 19.072 -1.942 1.00 0.00 H new ATOM 0 HD3 ARG B 122 -13.468 20.665 -1.260 1.00 0.00 H new ATOM 0 HE ARG B 122 -10.789 20.293 -0.811 1.00 0.00 H new ATOM 0 HH11 ARG B 122 -12.840 19.984 -3.679 1.00 0.00 H new ATOM 0 HH12 ARG B 122 -11.522 20.352 -4.796 1.00 0.00 H new ATOM 0 HH21 ARG B 122 -9.109 20.746 -2.250 1.00 0.00 H new ATOM 0 HH22 ARG B 122 -9.415 20.783 -3.989 1.00 0.00 H new ATOM 1566 N LYS B 123 -13.681 15.578 1.207 1.00 0.00 N ATOM 1567 CA LYS B 123 -14.964 14.885 1.392 1.00 0.00 C ATOM 1568 C LYS B 123 -15.047 14.285 2.795 1.00 0.00 C ATOM 1569 O LYS B 123 -16.107 14.275 3.421 1.00 0.00 O ATOM 1570 CB LYS B 123 -15.169 13.782 0.335 1.00 0.00 C ATOM 1571 CG LYS B 123 -14.459 12.468 0.644 1.00 0.00 C ATOM 1572 CD LYS B 123 -13.948 11.783 -0.613 1.00 0.00 C ATOM 1573 CE LYS B 123 -15.070 11.307 -1.505 1.00 0.00 C ATOM 1574 NZ LYS B 123 -14.584 10.952 -2.866 1.00 0.00 N ATOM 0 H LYS B 123 -13.059 15.149 0.522 1.00 0.00 H new ATOM 0 HA LYS B 123 -15.758 15.622 1.269 1.00 0.00 H new ATOM 0 HB2 LYS B 123 -16.237 13.588 0.234 1.00 0.00 H new ATOM 0 HB3 LYS B 123 -14.819 14.151 -0.629 1.00 0.00 H new ATOM 0 HG2 LYS B 123 -13.623 12.658 1.318 1.00 0.00 H new ATOM 0 HG3 LYS B 123 -15.144 11.801 1.167 1.00 0.00 H new ATOM 0 HD2 LYS B 123 -13.314 12.474 -1.168 1.00 0.00 H new ATOM 0 HD3 LYS B 123 -13.325 10.934 -0.333 1.00 0.00 H new ATOM 0 HE2 LYS B 123 -15.550 10.439 -1.053 1.00 0.00 H new ATOM 0 HE3 LYS B 123 -15.828 12.086 -1.582 1.00 0.00 H new ATOM 0 HZ1 LYS B 123 -15.372 11.009 -3.542 1.00 0.00 H new ATOM 0 HZ2 LYS B 123 -13.835 11.615 -3.151 1.00 0.00 H new ATOM 0 HZ3 LYS B 123 -14.205 9.984 -2.858 1.00 0.00 H new ATOM 1588 N LEU B 124 -13.914 13.796 3.279 1.00 0.00 N ATOM 1589 CA LEU B 124 -13.831 13.189 4.594 1.00 0.00 C ATOM 1590 C LEU B 124 -14.128 14.197 5.701 1.00 0.00 C ATOM 1591 O LEU B 124 -14.994 13.960 6.537 1.00 0.00 O ATOM 1592 CB LEU B 124 -12.443 12.578 4.803 1.00 0.00 C ATOM 1593 CG LEU B 124 -12.138 11.331 3.967 1.00 0.00 C ATOM 1594 CD1 LEU B 124 -10.707 10.873 4.197 1.00 0.00 C ATOM 1595 CD2 LEU B 124 -13.104 10.219 4.314 1.00 0.00 C ATOM 0 H LEU B 124 -13.030 13.810 2.770 1.00 0.00 H new ATOM 0 HA LEU B 124 -14.586 12.405 4.646 1.00 0.00 H new ATOM 0 HB2 LEU B 124 -11.694 13.337 4.578 1.00 0.00 H new ATOM 0 HB3 LEU B 124 -12.332 12.323 5.857 1.00 0.00 H new ATOM 0 HG LEU B 124 -12.256 11.584 2.913 1.00 0.00 H new ATOM 0 HD11 LEU B 124 -10.508 9.986 3.595 1.00 0.00 H new ATOM 0 HD12 LEU B 124 -10.020 11.669 3.909 1.00 0.00 H new ATOM 0 HD13 LEU B 124 -10.566 10.635 5.251 1.00 0.00 H new ATOM 0 HD21 LEU B 124 -12.876 9.339 3.713 1.00 0.00 H new ATOM 0 HD22 LEU B 124 -13.009 9.971 5.371 1.00 0.00 H new ATOM 0 HD23 LEU B 124 -14.123 10.545 4.108 1.00 0.00 H new ATOM 1607 N GLU B 125 -13.431 15.330 5.689 1.00 0.00 N ATOM 1608 CA GLU B 125 -13.546 16.307 6.771 1.00 0.00 C ATOM 1609 C GLU B 125 -14.954 16.884 6.869 1.00 0.00 C ATOM 1610 O GLU B 125 -15.464 17.093 7.969 1.00 0.00 O ATOM 1611 CB GLU B 125 -12.535 17.439 6.609 1.00 0.00 C ATOM 1612 CG GLU B 125 -11.093 16.969 6.535 1.00 0.00 C ATOM 1613 CD GLU B 125 -10.107 18.116 6.569 1.00 0.00 C ATOM 1614 OE1 GLU B 125 -10.020 18.867 5.574 1.00 0.00 O ATOM 1615 OE2 GLU B 125 -9.406 18.269 7.591 1.00 0.00 O ATOM 0 H GLU B 125 -12.783 15.595 4.947 1.00 0.00 H new ATOM 0 HA GLU B 125 -13.330 15.772 7.696 1.00 0.00 H new ATOM 0 HB2 GLU B 125 -12.772 17.998 5.704 1.00 0.00 H new ATOM 0 HB3 GLU B 125 -12.640 18.129 7.446 1.00 0.00 H new ATOM 0 HG2 GLU B 125 -10.891 16.295 7.368 1.00 0.00 H new ATOM 0 HG3 GLU B 125 -10.948 16.396 5.619 1.00 0.00 H new ATOM 1622 N ARG B 126 -15.596 17.122 5.731 1.00 0.00 N ATOM 1623 CA ARG B 126 -16.951 17.668 5.741 1.00 0.00 C ATOM 1624 C ARG B 126 -17.948 16.625 6.239 1.00 0.00 C ATOM 1625 O ARG B 126 -19.062 16.959 6.645 1.00 0.00 O ATOM 1626 CB ARG B 126 -17.352 18.214 4.364 1.00 0.00 C ATOM 1627 CG ARG B 126 -17.319 17.202 3.230 1.00 0.00 C ATOM 1628 CD ARG B 126 -17.585 17.886 1.898 1.00 0.00 C ATOM 1629 NE ARG B 126 -17.448 16.979 0.759 1.00 0.00 N ATOM 1630 CZ ARG B 126 -16.960 17.348 -0.429 1.00 0.00 C ATOM 1631 NH1 ARG B 126 -16.561 18.599 -0.632 1.00 0.00 N ATOM 1632 NH2 ARG B 126 -16.871 16.467 -1.417 1.00 0.00 N ATOM 0 H ARG B 126 -15.209 16.949 4.803 1.00 0.00 H new ATOM 0 HA ARG B 126 -16.967 18.509 6.434 1.00 0.00 H new ATOM 0 HB2 ARG B 126 -18.359 18.625 4.433 1.00 0.00 H new ATOM 0 HB3 ARG B 126 -16.688 19.040 4.111 1.00 0.00 H new ATOM 0 HG2 ARG B 126 -16.348 16.708 3.204 1.00 0.00 H new ATOM 0 HG3 ARG B 126 -18.066 16.428 3.404 1.00 0.00 H new ATOM 0 HD2 ARG B 126 -18.591 18.305 1.904 1.00 0.00 H new ATOM 0 HD3 ARG B 126 -16.893 18.720 1.778 1.00 0.00 H new ATOM 0 HE ARG B 126 -17.742 16.009 0.878 1.00 0.00 H new ATOM 0 HH11 ARG B 126 -16.626 19.284 0.121 1.00 0.00 H new ATOM 0 HH12 ARG B 126 -16.189 18.875 -1.541 1.00 0.00 H new ATOM 0 HH21 ARG B 126 -17.176 15.505 -1.271 1.00 0.00 H new ATOM 0 HH22 ARG B 126 -16.498 16.752 -2.323 1.00 0.00 H new ATOM 1646 N LEU B 127 -17.539 15.363 6.212 1.00 0.00 N ATOM 1647 CA LEU B 127 -18.330 14.290 6.794 1.00 0.00 C ATOM 1648 C LEU B 127 -17.986 14.178 8.279 1.00 0.00 C ATOM 1649 O LEU B 127 -18.852 13.919 9.114 1.00 0.00 O ATOM 1650 CB LEU B 127 -18.052 12.968 6.063 1.00 0.00 C ATOM 1651 CG LEU B 127 -19.214 11.959 6.003 1.00 0.00 C ATOM 1652 CD1 LEU B 127 -19.532 11.390 7.376 1.00 0.00 C ATOM 1653 CD2 LEU B 127 -20.454 12.599 5.396 1.00 0.00 C ATOM 0 H LEU B 127 -16.661 15.058 5.792 1.00 0.00 H new ATOM 0 HA LEU B 127 -19.392 14.510 6.687 1.00 0.00 H new ATOM 0 HB2 LEU B 127 -17.748 13.200 5.042 1.00 0.00 H new ATOM 0 HB3 LEU B 127 -17.203 12.483 6.546 1.00 0.00 H new ATOM 0 HG LEU B 127 -18.897 11.135 5.364 1.00 0.00 H new ATOM 0 HD11 LEU B 127 -20.357 10.682 7.294 1.00 0.00 H new ATOM 0 HD12 LEU B 127 -18.653 10.880 7.771 1.00 0.00 H new ATOM 0 HD13 LEU B 127 -19.814 12.200 8.049 1.00 0.00 H new ATOM 0 HD21 LEU B 127 -21.262 11.868 5.364 1.00 0.00 H new ATOM 0 HD22 LEU B 127 -20.759 13.450 6.005 1.00 0.00 H new ATOM 0 HD23 LEU B 127 -20.230 12.938 4.384 1.00 0.00 H new ATOM 1665 N LEU B 128 -16.711 14.391 8.600 1.00 0.00 N ATOM 1666 CA LEU B 128 -16.253 14.435 9.983 1.00 0.00 C ATOM 1667 C LEU B 128 -17.048 15.464 10.768 1.00 0.00 C ATOM 1668 O LEU B 128 -17.672 15.142 11.781 1.00 0.00 O ATOM 1669 CB LEU B 128 -14.767 14.779 10.048 1.00 0.00 C ATOM 1670 CG LEU B 128 -13.845 13.811 9.315 1.00 0.00 C ATOM 1671 CD1 LEU B 128 -12.394 14.225 9.495 1.00 0.00 C ATOM 1672 CD2 LEU B 128 -14.067 12.388 9.797 1.00 0.00 C ATOM 0 H LEU B 128 -15.972 14.537 7.912 1.00 0.00 H new ATOM 0 HA LEU B 128 -16.406 13.450 10.423 1.00 0.00 H new ATOM 0 HB2 LEU B 128 -14.623 15.777 9.634 1.00 0.00 H new ATOM 0 HB3 LEU B 128 -14.465 14.821 11.095 1.00 0.00 H new ATOM 0 HG LEU B 128 -14.082 13.845 8.252 1.00 0.00 H new ATOM 0 HD11 LEU B 128 -11.748 13.525 8.966 1.00 0.00 H new ATOM 0 HD12 LEU B 128 -12.249 15.228 9.092 1.00 0.00 H new ATOM 0 HD13 LEU B 128 -12.143 14.220 10.556 1.00 0.00 H new ATOM 0 HD21 LEU B 128 -13.399 11.714 9.261 1.00 0.00 H new ATOM 0 HD22 LEU B 128 -13.861 12.329 10.866 1.00 0.00 H new ATOM 0 HD23 LEU B 128 -15.101 12.098 9.611 1.00 0.00 H new ATOM 1684 N GLU B 129 -17.044 16.691 10.262 1.00 0.00 N ATOM 1685 CA GLU B 129 -17.774 17.800 10.874 1.00 0.00 C ATOM 1686 C GLU B 129 -19.285 17.570 10.827 1.00 0.00 C ATOM 1687 O GLU B 129 -20.056 18.293 11.454 1.00 0.00 O ATOM 1688 CB GLU B 129 -17.422 19.101 10.155 1.00 0.00 C ATOM 1689 CG GLU B 129 -15.935 19.400 10.160 1.00 0.00 C ATOM 1690 CD GLU B 129 -15.598 20.707 9.473 1.00 0.00 C ATOM 1691 OE1 GLU B 129 -15.877 21.778 10.051 1.00 0.00 O ATOM 1692 OE2 GLU B 129 -15.045 20.677 8.355 1.00 0.00 O ATOM 0 H GLU B 129 -16.535 16.948 9.416 1.00 0.00 H new ATOM 0 HA GLU B 129 -17.480 17.865 11.922 1.00 0.00 H new ATOM 0 HB2 GLU B 129 -17.772 19.046 9.124 1.00 0.00 H new ATOM 0 HB3 GLU B 129 -17.954 19.926 10.628 1.00 0.00 H new ATOM 0 HG2 GLU B 129 -15.579 19.433 11.190 1.00 0.00 H new ATOM 0 HG3 GLU B 129 -15.404 18.587 9.665 1.00 0.00 H new ATOM 1699 N SER B 130 -19.696 16.557 10.081 1.00 0.00 N ATOM 1700 CA SER B 130 -21.105 16.216 9.961 1.00 0.00 C ATOM 1701 C SER B 130 -21.491 15.150 10.990 1.00 0.00 C ATOM 1702 O SER B 130 -22.636 14.696 11.032 1.00 0.00 O ATOM 1703 CB SER B 130 -21.414 15.730 8.538 1.00 0.00 C ATOM 1704 OG SER B 130 -22.805 15.544 8.339 1.00 0.00 O ATOM 0 H SER B 130 -19.070 15.954 9.547 1.00 0.00 H new ATOM 0 HA SER B 130 -21.697 17.110 10.159 1.00 0.00 H new ATOM 0 HB2 SER B 130 -21.037 16.454 7.816 1.00 0.00 H new ATOM 0 HB3 SER B 130 -20.891 14.792 8.352 1.00 0.00 H new ATOM 0 HG SER B 130 -23.231 15.324 9.194 1.00 0.00 H new ATOM 1710 N GLY B 131 -20.533 14.745 11.815 1.00 0.00 N ATOM 1711 CA GLY B 131 -20.836 13.819 12.888 1.00 0.00 C ATOM 1712 C GLY B 131 -20.150 12.475 12.746 1.00 0.00 C ATOM 1713 O GLY B 131 -20.614 11.477 13.295 1.00 0.00 O ATOM 0 H GLY B 131 -19.558 15.039 11.761 1.00 0.00 H new ATOM 0 HA2 GLY B 131 -20.543 14.268 13.837 1.00 0.00 H new ATOM 0 HA3 GLY B 131 -21.914 13.664 12.928 1.00 0.00 H new ATOM 1717 N LEU B 132 -19.052 12.435 12.011 1.00 0.00 N ATOM 1718 CA LEU B 132 -18.266 11.223 11.909 1.00 0.00 C ATOM 1719 C LEU B 132 -17.166 11.275 12.965 1.00 0.00 C ATOM 1720 O LEU B 132 -16.979 10.327 13.728 1.00 0.00 O ATOM 1721 CB LEU B 132 -17.684 11.097 10.494 1.00 0.00 C ATOM 1722 CG LEU B 132 -17.292 9.685 10.039 1.00 0.00 C ATOM 1723 CD1 LEU B 132 -16.169 9.128 10.895 1.00 0.00 C ATOM 1724 CD2 LEU B 132 -18.498 8.759 10.065 1.00 0.00 C ATOM 0 H LEU B 132 -18.688 13.225 11.479 1.00 0.00 H new ATOM 0 HA LEU B 132 -18.887 10.345 12.086 1.00 0.00 H new ATOM 0 HB2 LEU B 132 -18.414 11.493 9.788 1.00 0.00 H new ATOM 0 HB3 LEU B 132 -16.801 11.734 10.430 1.00 0.00 H new ATOM 0 HG LEU B 132 -16.931 9.750 9.013 1.00 0.00 H new ATOM 0 HD11 LEU B 132 -15.911 8.126 10.551 1.00 0.00 H new ATOM 0 HD12 LEU B 132 -15.295 9.775 10.815 1.00 0.00 H new ATOM 0 HD13 LEU B 132 -16.493 9.082 11.935 1.00 0.00 H new ATOM 0 HD21 LEU B 132 -18.199 7.763 9.739 1.00 0.00 H new ATOM 0 HD22 LEU B 132 -18.894 8.705 11.079 1.00 0.00 H new ATOM 0 HD23 LEU B 132 -19.267 9.144 9.395 1.00 0.00 H new ATOM 1736 N THR B 133 -16.476 12.414 13.016 1.00 0.00 N ATOM 1737 CA THR B 133 -15.441 12.671 14.013 1.00 0.00 C ATOM 1738 C THR B 133 -14.201 11.798 13.786 1.00 0.00 C ATOM 1739 O THR B 133 -14.163 10.655 14.286 1.00 0.00 O ATOM 1740 CB THR B 133 -15.982 12.465 15.443 1.00 0.00 C ATOM 1741 OG1 THR B 133 -17.247 13.131 15.580 1.00 0.00 O ATOM 1742 CG2 THR B 133 -15.012 13.014 16.477 1.00 0.00 C ATOM 1743 OXT THR B 133 -13.259 12.273 13.113 1.00 0.00 O ATOM 0 H THR B 133 -16.621 13.186 12.365 1.00 0.00 H new ATOM 0 HA THR B 133 -15.143 13.713 13.899 1.00 0.00 H new ATOM 0 HB THR B 133 -16.102 11.395 15.612 1.00 0.00 H new ATOM 0 HG1 THR B 133 -17.590 12.998 16.488 1.00 0.00 H new ATOM 0 HG21 THR B 133 -15.418 12.856 17.476 1.00 0.00 H new ATOM 0 HG22 THR B 133 -14.055 12.499 16.388 1.00 0.00 H new ATOM 0 HG23 THR B 133 -14.867 14.081 16.309 1.00 0.00 H new TER 1751 THR B 133