USER MOD reduce.3.24.130724 H: found=0, std=0, add=482, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 482 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 THR N :NH3+ 146:sc= 0.00502 (180deg=-0.647) USER MOD Single : A 1 THR OG1 : rot 17:sc= 0.179 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 27:sc= 0.768 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 148:sc= 0.102 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 THR OG1 : rot 69:sc= 0.425 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl -177:sc= 0 (180deg=-0.0252) USER MOD Single : A 43 SER OG : rot -6:sc= 0.255 USER MOD Single : A 45 THR OG1 : rot 142:sc= 0.00308 USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -120:sc= 0.0017 (180deg=-0.336) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -16.607 -6.435 -14.700 1.00 0.00 N ATOM 2 CA THR A 1 -16.778 -7.473 -15.748 1.00 0.00 C ATOM 3 C THR A 1 -15.983 -7.086 -17.048 1.00 0.00 C ATOM 4 O THR A 1 -16.608 -6.611 -18.001 1.00 0.00 O ATOM 5 CB THR A 1 -18.280 -7.831 -15.935 1.00 0.00 C ATOM 6 OG1 THR A 1 -18.413 -8.852 -16.920 1.00 0.00 O ATOM 7 CG2 THR A 1 -19.204 -6.665 -16.315 1.00 0.00 C ATOM 0 H1 THR A 1 -17.482 -6.356 -14.144 1.00 0.00 H new ATOM 0 H2 THR A 1 -15.821 -6.701 -14.073 1.00 0.00 H new ATOM 0 H3 THR A 1 -16.398 -5.520 -15.148 1.00 0.00 H new ATOM 0 HA THR A 1 -16.325 -8.412 -15.431 1.00 0.00 H new ATOM 0 HB THR A 1 -18.606 -8.160 -14.948 1.00 0.00 H new ATOM 0 HG1 THR A 1 -17.544 -9.282 -17.065 1.00 0.00 H new ATOM 0 HG21 THR A 1 -20.226 -7.030 -16.419 1.00 0.00 H new ATOM 0 HG22 THR A 1 -19.168 -5.903 -15.536 1.00 0.00 H new ATOM 0 HG23 THR A 1 -18.875 -6.233 -17.260 1.00 0.00 H new ATOM 17 N PRO A 2 -14.634 -7.295 -17.164 1.00 0.00 N ATOM 18 CA PRO A 2 -13.865 -6.984 -18.400 1.00 0.00 C ATOM 19 C PRO A 2 -13.886 -8.204 -19.374 1.00 0.00 C ATOM 20 O PRO A 2 -13.002 -9.066 -19.345 1.00 0.00 O ATOM 21 CB PRO A 2 -12.470 -6.636 -17.816 1.00 0.00 C ATOM 22 CG PRO A 2 -12.340 -7.454 -16.529 1.00 0.00 C ATOM 23 CD PRO A 2 -13.772 -7.628 -16.016 1.00 0.00 C ATOM 0 HA PRO A 2 -14.255 -6.174 -19.016 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -11.677 -6.887 -18.521 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -12.387 -5.569 -17.611 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -11.871 -8.419 -16.722 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -11.719 -6.939 -15.796 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -13.947 -8.648 -15.674 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -13.970 -6.970 -15.170 1.00 0.00 H new ATOM 31 N ASP A 3 -14.957 -8.286 -20.187 1.00 0.00 N ATOM 32 CA ASP A 3 -15.313 -9.517 -20.940 1.00 0.00 C ATOM 33 C ASP A 3 -15.947 -9.110 -22.293 1.00 0.00 C ATOM 34 O ASP A 3 -16.882 -8.301 -22.342 1.00 0.00 O ATOM 35 CB ASP A 3 -16.322 -10.387 -20.136 1.00 0.00 C ATOM 36 CG ASP A 3 -15.756 -11.082 -18.889 1.00 0.00 C ATOM 37 OD1 ASP A 3 -15.126 -12.154 -19.028 1.00 0.00 O ATOM 38 OD2 ASP A 3 -15.934 -10.554 -17.769 1.00 0.00 O ATOM 0 H ASP A 3 -15.600 -7.509 -20.344 1.00 0.00 H new ATOM 0 HA ASP A 3 -14.410 -10.104 -21.105 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -17.156 -9.755 -19.830 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -16.727 -11.149 -20.802 1.00 0.00 H new ATOM 43 N VAL A 4 -15.447 -9.717 -23.383 1.00 0.00 N ATOM 44 CA VAL A 4 -15.963 -9.480 -24.761 1.00 0.00 C ATOM 45 C VAL A 4 -16.912 -10.656 -25.176 1.00 0.00 C ATOM 46 O VAL A 4 -17.687 -11.160 -24.356 1.00 0.00 O ATOM 47 CB VAL A 4 -14.759 -9.036 -25.675 1.00 0.00 C ATOM 48 CG1 VAL A 4 -13.737 -10.144 -26.027 1.00 0.00 C ATOM 49 CG2 VAL A 4 -15.206 -8.281 -26.949 1.00 0.00 C ATOM 0 H VAL A 4 -14.677 -10.385 -23.344 1.00 0.00 H new ATOM 0 HA VAL A 4 -16.643 -8.635 -24.868 1.00 0.00 H new ATOM 0 HB VAL A 4 -14.222 -8.339 -25.031 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -12.952 -9.728 -26.659 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -13.295 -10.536 -25.111 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -14.243 -10.949 -26.560 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -14.329 -8.004 -27.534 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -15.852 -8.925 -27.546 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -15.753 -7.382 -26.666 1.00 0.00 H new ATOM 59 N SER A 5 -16.945 -10.992 -26.478 1.00 0.00 N ATOM 60 CA SER A 5 -18.094 -11.701 -27.138 1.00 0.00 C ATOM 61 C SER A 5 -19.512 -11.057 -26.908 1.00 0.00 C ATOM 62 O SER A 5 -20.511 -11.755 -26.711 1.00 0.00 O ATOM 63 CB SER A 5 -18.047 -13.228 -26.860 1.00 0.00 C ATOM 64 OG SER A 5 -16.818 -13.801 -27.293 1.00 0.00 O ATOM 0 H SER A 5 -16.179 -10.785 -27.119 1.00 0.00 H new ATOM 0 HA SER A 5 -17.946 -11.557 -28.208 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.177 -13.408 -25.793 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.877 -13.717 -27.370 1.00 0.00 H new ATOM 0 HG SER A 5 -16.820 -14.762 -27.102 1.00 0.00 H new ATOM 70 N SER A 6 -19.567 -9.710 -26.912 1.00 0.00 N ATOM 71 CA SER A 6 -20.684 -8.904 -26.355 1.00 0.00 C ATOM 72 C SER A 6 -20.407 -7.421 -26.741 1.00 0.00 C ATOM 73 O SER A 6 -21.141 -6.889 -27.577 1.00 0.00 O ATOM 74 CB SER A 6 -20.893 -9.078 -24.825 1.00 0.00 C ATOM 75 OG SER A 6 -21.500 -10.325 -24.510 1.00 0.00 O ATOM 0 H SER A 6 -18.824 -9.136 -27.309 1.00 0.00 H new ATOM 0 HA SER A 6 -21.623 -9.256 -26.782 1.00 0.00 H new ATOM 0 HB2 SER A 6 -19.932 -9.004 -24.317 1.00 0.00 H new ATOM 0 HB3 SER A 6 -21.516 -8.266 -24.449 1.00 0.00 H new ATOM 0 HG SER A 6 -21.290 -10.977 -25.211 1.00 0.00 H new ATOM 81 N ALA A 7 -19.378 -6.759 -26.140 1.00 0.00 N ATOM 82 CA ALA A 7 -19.057 -5.309 -26.335 1.00 0.00 C ATOM 83 C ALA A 7 -19.961 -4.275 -25.596 1.00 0.00 C ATOM 84 O ALA A 7 -19.479 -3.208 -25.205 1.00 0.00 O ATOM 85 CB ALA A 7 -18.822 -4.909 -27.806 1.00 0.00 C ATOM 0 H ALA A 7 -18.737 -7.222 -25.496 1.00 0.00 H new ATOM 0 HA ALA A 7 -18.102 -5.241 -25.814 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -18.595 -3.844 -27.862 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -17.985 -5.480 -28.209 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -19.719 -5.120 -28.388 1.00 0.00 H new ATOM 91 N LEU A 8 -21.254 -4.590 -25.436 1.00 0.00 N ATOM 92 CA LEU A 8 -22.255 -3.745 -24.728 1.00 0.00 C ATOM 93 C LEU A 8 -23.188 -4.574 -23.786 1.00 0.00 C ATOM 94 O LEU A 8 -23.644 -4.024 -22.781 1.00 0.00 O ATOM 95 CB LEU A 8 -23.058 -2.872 -25.750 1.00 0.00 C ATOM 96 CG LEU A 8 -23.307 -1.378 -25.401 1.00 0.00 C ATOM 97 CD1 LEU A 8 -24.127 -1.154 -24.116 1.00 0.00 C ATOM 98 CD2 LEU A 8 -22.007 -0.547 -25.376 1.00 0.00 C ATOM 0 H LEU A 8 -21.652 -5.456 -25.799 1.00 0.00 H new ATOM 0 HA LEU A 8 -21.708 -3.069 -24.070 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -22.533 -2.908 -26.704 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -24.028 -3.345 -25.902 1.00 0.00 H new ATOM 0 HG LEU A 8 -23.924 -1.014 -26.222 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -24.254 -0.085 -23.947 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -25.105 -1.623 -24.222 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -23.603 -1.596 -23.268 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -22.241 0.488 -25.127 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -21.328 -0.956 -24.627 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -21.532 -0.586 -26.356 1.00 0.00 H new ATOM 110 N ASP A 9 -23.466 -5.870 -24.066 1.00 0.00 N ATOM 111 CA ASP A 9 -24.189 -6.779 -23.126 1.00 0.00 C ATOM 112 C ASP A 9 -23.407 -7.061 -21.798 1.00 0.00 C ATOM 113 O ASP A 9 -23.965 -6.866 -20.715 1.00 0.00 O ATOM 114 CB ASP A 9 -24.588 -8.078 -23.883 1.00 0.00 C ATOM 115 CG ASP A 9 -25.702 -8.887 -23.205 1.00 0.00 C ATOM 116 OD1 ASP A 9 -26.895 -8.602 -23.456 1.00 0.00 O ATOM 117 OD2 ASP A 9 -25.388 -9.806 -22.417 1.00 0.00 O ATOM 0 H ASP A 9 -23.200 -6.318 -24.943 1.00 0.00 H new ATOM 0 HA ASP A 9 -25.094 -6.272 -22.792 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -24.909 -7.813 -24.891 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -23.706 -8.711 -23.985 1.00 0.00 H new ATOM 122 N LYS A 10 -22.120 -7.458 -21.887 1.00 0.00 N ATOM 123 CA LYS A 10 -21.172 -7.424 -20.739 1.00 0.00 C ATOM 124 C LYS A 10 -20.806 -5.974 -20.294 1.00 0.00 C ATOM 125 O LYS A 10 -20.933 -5.680 -19.103 1.00 0.00 O ATOM 126 CB LYS A 10 -19.887 -8.239 -21.064 1.00 0.00 C ATOM 127 CG LYS A 10 -20.032 -9.773 -21.179 1.00 0.00 C ATOM 128 CD LYS A 10 -20.257 -10.493 -19.834 1.00 0.00 C ATOM 129 CE LYS A 10 -20.248 -12.024 -19.980 1.00 0.00 C ATOM 130 NZ LYS A 10 -20.447 -12.690 -18.681 1.00 0.00 N ATOM 0 H LYS A 10 -21.705 -7.810 -22.749 1.00 0.00 H new ATOM 0 HA LYS A 10 -21.686 -7.888 -19.897 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -19.480 -7.867 -22.004 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -19.148 -8.027 -20.291 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -20.867 -9.998 -21.842 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -19.135 -10.177 -21.648 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -19.481 -10.193 -19.130 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -21.210 -10.177 -19.411 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -21.034 -12.330 -20.671 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -19.300 -12.344 -20.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -20.436 -13.721 -18.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -19.683 -12.417 -18.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -21.363 -12.403 -18.280 1.00 0.00 H new ATOM 144 N LEU A 11 -20.366 -5.085 -21.216 1.00 0.00 N ATOM 145 CA LEU A 11 -19.961 -3.694 -20.875 1.00 0.00 C ATOM 146 C LEU A 11 -21.125 -2.667 -21.054 1.00 0.00 C ATOM 147 O LEU A 11 -21.054 -1.731 -21.857 1.00 0.00 O ATOM 148 CB LEU A 11 -18.659 -3.320 -21.648 1.00 0.00 C ATOM 149 CG LEU A 11 -17.322 -3.732 -20.971 1.00 0.00 C ATOM 150 CD1 LEU A 11 -17.064 -5.250 -20.973 1.00 0.00 C ATOM 151 CD2 LEU A 11 -16.135 -2.992 -21.613 1.00 0.00 C ATOM 0 H LEU A 11 -20.281 -5.305 -22.208 1.00 0.00 H new ATOM 0 HA LEU A 11 -19.730 -3.646 -19.811 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -18.701 -3.781 -22.635 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -18.648 -2.241 -21.801 1.00 0.00 H new ATOM 0 HG LEU A 11 -17.418 -3.438 -19.926 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -16.113 -5.458 -20.483 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -17.867 -5.756 -20.436 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -17.030 -5.612 -22.001 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -15.209 -3.295 -21.124 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -16.083 -3.239 -22.673 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -16.271 -1.917 -21.497 1.00 0.00 H new ATOM 163 N LYS A 12 -22.163 -2.818 -20.213 1.00 0.00 N ATOM 164 CA LYS A 12 -23.146 -1.746 -19.892 1.00 0.00 C ATOM 165 C LYS A 12 -22.845 -1.056 -18.522 1.00 0.00 C ATOM 166 O LYS A 12 -22.754 0.176 -18.493 1.00 0.00 O ATOM 167 CB LYS A 12 -24.635 -2.155 -20.118 1.00 0.00 C ATOM 168 CG LYS A 12 -25.142 -3.585 -19.795 1.00 0.00 C ATOM 169 CD LYS A 12 -25.180 -4.041 -18.325 1.00 0.00 C ATOM 170 CE LYS A 12 -26.111 -3.209 -17.422 1.00 0.00 C ATOM 171 NZ LYS A 12 -26.175 -3.756 -16.056 1.00 0.00 N ATOM 0 H LYS A 12 -22.353 -3.694 -19.727 1.00 0.00 H new ATOM 0 HA LYS A 12 -22.999 -0.965 -20.638 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -25.245 -1.464 -19.536 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -24.858 -1.970 -21.169 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -26.152 -3.676 -20.196 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -24.517 -4.289 -20.344 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -25.496 -5.083 -18.289 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -24.169 -4.000 -17.919 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -25.757 -2.179 -17.385 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -27.112 -3.187 -17.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -26.315 -2.980 -15.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -26.969 -4.424 -15.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -25.286 -4.251 -15.838 1.00 0.00 H new ATOM 185 N GLU A 13 -22.655 -1.809 -17.413 1.00 0.00 N ATOM 186 CA GLU A 13 -22.156 -1.256 -16.121 1.00 0.00 C ATOM 187 C GLU A 13 -20.612 -1.024 -16.105 1.00 0.00 C ATOM 188 O GLU A 13 -20.184 0.076 -15.748 1.00 0.00 O ATOM 189 CB GLU A 13 -22.704 -2.046 -14.894 1.00 0.00 C ATOM 190 CG GLU A 13 -22.135 -3.443 -14.538 1.00 0.00 C ATOM 191 CD GLU A 13 -22.458 -4.567 -15.527 1.00 0.00 C ATOM 192 OE1 GLU A 13 -21.749 -4.692 -16.548 1.00 0.00 O ATOM 193 OE2 GLU A 13 -23.416 -5.333 -15.287 1.00 0.00 O ATOM 0 H GLU A 13 -22.841 -2.812 -17.383 1.00 0.00 H new ATOM 0 HA GLU A 13 -22.572 -0.253 -16.026 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -22.570 -1.412 -14.018 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -23.778 -2.164 -15.041 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -21.052 -3.362 -14.451 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -22.513 -3.729 -13.556 1.00 0.00 H new ATOM 200 N PHE A 14 -19.794 -2.021 -16.517 1.00 0.00 N ATOM 201 CA PHE A 14 -18.326 -1.838 -16.705 1.00 0.00 C ATOM 202 C PHE A 14 -17.900 -0.963 -17.933 1.00 0.00 C ATOM 203 O PHE A 14 -16.821 -0.366 -17.874 1.00 0.00 O ATOM 204 CB PHE A 14 -17.620 -3.225 -16.677 1.00 0.00 C ATOM 205 CG PHE A 14 -16.095 -3.162 -16.454 1.00 0.00 C ATOM 206 CD1 PHE A 14 -15.583 -2.884 -15.180 1.00 0.00 C ATOM 207 CD2 PHE A 14 -15.211 -3.319 -17.527 1.00 0.00 C ATOM 208 CE1 PHE A 14 -14.209 -2.752 -14.988 1.00 0.00 C ATOM 209 CE2 PHE A 14 -13.840 -3.179 -17.334 1.00 0.00 C ATOM 210 CZ PHE A 14 -13.339 -2.898 -16.065 1.00 0.00 C ATOM 0 H PHE A 14 -20.122 -2.964 -16.727 1.00 0.00 H new ATOM 0 HA PHE A 14 -17.985 -1.238 -15.862 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -18.065 -3.829 -15.887 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -17.816 -3.737 -17.619 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -16.256 -2.771 -14.343 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -15.595 -3.550 -18.510 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -13.819 -2.537 -14.004 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -13.164 -3.288 -18.169 1.00 0.00 H new ATOM 0 HZ PHE A 14 -12.274 -2.793 -15.916 1.00 0.00 H new ATOM 220 N GLY A 15 -18.722 -0.835 -18.997 1.00 0.00 N ATOM 221 CA GLY A 15 -18.541 0.221 -20.033 1.00 0.00 C ATOM 222 C GLY A 15 -18.601 1.679 -19.514 1.00 0.00 C ATOM 223 O GLY A 15 -17.664 2.443 -19.753 1.00 0.00 O ATOM 0 H GLY A 15 -19.520 -1.447 -19.167 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -17.579 0.066 -20.521 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -19.309 0.093 -20.796 1.00 0.00 H new ATOM 227 N ASN A 16 -19.659 2.028 -18.754 1.00 0.00 N ATOM 228 CA ASN A 16 -19.718 3.287 -17.953 1.00 0.00 C ATOM 229 C ASN A 16 -18.571 3.498 -16.902 1.00 0.00 C ATOM 230 O ASN A 16 -18.150 4.643 -16.712 1.00 0.00 O ATOM 231 CB ASN A 16 -21.131 3.364 -17.307 1.00 0.00 C ATOM 232 CG ASN A 16 -21.516 4.748 -16.744 1.00 0.00 C ATOM 233 OD1 ASN A 16 -21.743 5.700 -17.489 1.00 0.00 O ATOM 234 ND2 ASN A 16 -21.597 4.887 -15.429 1.00 0.00 N ATOM 0 H ASN A 16 -20.498 1.454 -18.672 1.00 0.00 H new ATOM 0 HA ASN A 16 -19.545 4.114 -18.641 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -21.871 3.073 -18.052 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -21.186 2.632 -16.501 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -21.849 5.789 -15.026 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -21.407 4.092 -14.819 1.00 0.00 H new ATOM 241 N THR A 17 -18.051 2.430 -16.253 1.00 0.00 N ATOM 242 CA THR A 17 -16.848 2.494 -15.376 1.00 0.00 C ATOM 243 C THR A 17 -15.563 2.944 -16.145 1.00 0.00 C ATOM 244 O THR A 17 -14.954 3.935 -15.732 1.00 0.00 O ATOM 245 CB THR A 17 -16.682 1.136 -14.624 1.00 0.00 C ATOM 246 OG1 THR A 17 -17.883 0.785 -13.938 1.00 0.00 O ATOM 247 CG2 THR A 17 -15.561 1.120 -13.580 1.00 0.00 C ATOM 0 H THR A 17 -18.452 1.495 -16.320 1.00 0.00 H new ATOM 0 HA THR A 17 -16.999 3.274 -14.629 1.00 0.00 H new ATOM 0 HB THR A 17 -16.432 0.426 -15.412 1.00 0.00 H new ATOM 0 HG1 THR A 17 -18.577 0.555 -14.590 1.00 0.00 H new ATOM 0 HG21 THR A 17 -15.518 0.139 -13.108 1.00 0.00 H new ATOM 0 HG22 THR A 17 -14.608 1.331 -14.066 1.00 0.00 H new ATOM 0 HG23 THR A 17 -15.758 1.879 -12.823 1.00 0.00 H new ATOM 255 N LEU A 18 -15.177 2.264 -17.252 1.00 0.00 N ATOM 256 CA LEU A 18 -14.042 2.713 -18.123 1.00 0.00 C ATOM 257 C LEU A 18 -14.202 3.989 -19.012 1.00 0.00 C ATOM 258 O LEU A 18 -13.221 4.467 -19.590 1.00 0.00 O ATOM 259 CB LEU A 18 -13.359 1.512 -18.842 1.00 0.00 C ATOM 260 CG LEU A 18 -14.101 0.731 -19.969 1.00 0.00 C ATOM 261 CD1 LEU A 18 -14.365 1.553 -21.247 1.00 0.00 C ATOM 262 CD2 LEU A 18 -13.289 -0.528 -20.339 1.00 0.00 C ATOM 0 H LEU A 18 -15.627 1.405 -17.569 1.00 0.00 H new ATOM 0 HA LEU A 18 -13.353 3.129 -17.388 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -12.427 1.882 -19.269 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -13.092 0.788 -18.073 1.00 0.00 H new ATOM 0 HG LEU A 18 -15.079 0.474 -19.562 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -14.884 0.933 -21.978 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -14.981 2.418 -21.002 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -13.416 1.889 -21.666 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -13.806 -1.076 -21.127 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -12.300 -0.233 -20.691 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -13.186 -1.166 -19.461 1.00 0.00 H new ATOM 274 N GLU A 19 -15.411 4.560 -19.057 1.00 0.00 N ATOM 275 CA GLU A 19 -15.668 5.939 -19.556 1.00 0.00 C ATOM 276 C GLU A 19 -15.196 7.041 -18.556 1.00 0.00 C ATOM 277 O GLU A 19 -14.462 7.941 -18.973 1.00 0.00 O ATOM 278 CB GLU A 19 -17.158 6.103 -19.952 1.00 0.00 C ATOM 279 CG GLU A 19 -17.549 5.438 -21.291 1.00 0.00 C ATOM 280 CD GLU A 19 -19.057 5.466 -21.552 1.00 0.00 C ATOM 281 OE1 GLU A 19 -19.580 6.525 -21.964 1.00 0.00 O ATOM 282 OE2 GLU A 19 -19.726 4.429 -21.351 1.00 0.00 O ATOM 0 H GLU A 19 -16.257 4.081 -18.747 1.00 0.00 H new ATOM 0 HA GLU A 19 -15.064 6.081 -20.452 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -17.778 5.684 -19.160 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -17.389 7.167 -20.009 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -17.035 5.946 -22.107 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -17.204 4.404 -21.292 1.00 0.00 H new ATOM 289 N ASP A 20 -15.568 6.955 -17.258 1.00 0.00 N ATOM 290 CA ASP A 20 -14.997 7.816 -16.182 1.00 0.00 C ATOM 291 C ASP A 20 -13.464 7.634 -15.915 1.00 0.00 C ATOM 292 O ASP A 20 -12.786 8.635 -15.674 1.00 0.00 O ATOM 293 CB ASP A 20 -15.847 7.609 -14.899 1.00 0.00 C ATOM 294 CG ASP A 20 -15.611 8.654 -13.797 1.00 0.00 C ATOM 295 OD1 ASP A 20 -16.220 9.746 -13.858 1.00 0.00 O ATOM 296 OD2 ASP A 20 -14.808 8.390 -12.875 1.00 0.00 O ATOM 0 H ASP A 20 -16.268 6.293 -16.923 1.00 0.00 H new ATOM 0 HA ASP A 20 -15.057 8.849 -16.526 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -16.902 7.621 -15.173 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -15.634 6.620 -14.494 1.00 0.00 H new ATOM 301 N LYS A 21 -12.922 6.396 -15.969 1.00 0.00 N ATOM 302 CA LYS A 21 -11.453 6.131 -15.885 1.00 0.00 C ATOM 303 C LYS A 21 -10.619 6.806 -17.021 1.00 0.00 C ATOM 304 O LYS A 21 -9.652 7.502 -16.709 1.00 0.00 O ATOM 305 CB LYS A 21 -11.172 4.603 -15.837 1.00 0.00 C ATOM 306 CG LYS A 21 -11.657 3.867 -14.562 1.00 0.00 C ATOM 307 CD LYS A 21 -11.686 2.328 -14.662 1.00 0.00 C ATOM 308 CE LYS A 21 -10.312 1.656 -14.832 1.00 0.00 C ATOM 309 NZ LYS A 21 -10.438 0.188 -14.891 1.00 0.00 N ATOM 0 H LYS A 21 -13.482 5.550 -16.072 1.00 0.00 H new ATOM 0 HA LYS A 21 -11.122 6.593 -14.955 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -11.644 4.139 -16.703 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.098 4.447 -15.937 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.010 4.149 -13.731 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -12.660 4.218 -14.319 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -12.158 1.930 -13.764 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -12.317 2.047 -15.505 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.837 2.019 -15.743 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.663 1.935 -14.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.496 -0.237 -15.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.869 -0.159 -14.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -11.038 -0.077 -15.698 1.00 0.00 H new ATOM 323 N ALA A 22 -11.009 6.649 -18.305 1.00 0.00 N ATOM 324 CA ALA A 22 -10.405 7.404 -19.438 1.00 0.00 C ATOM 325 C ALA A 22 -10.576 8.956 -19.423 1.00 0.00 C ATOM 326 O ALA A 22 -9.642 9.656 -19.820 1.00 0.00 O ATOM 327 CB ALA A 22 -10.954 6.826 -20.752 1.00 0.00 C ATOM 0 H ALA A 22 -11.745 6.002 -18.590 1.00 0.00 H new ATOM 0 HA ALA A 22 -9.329 7.267 -19.334 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -10.523 7.366 -21.595 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.690 5.771 -20.824 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.039 6.930 -20.770 1.00 0.00 H new ATOM 333 N ARG A 23 -11.722 9.490 -18.948 1.00 0.00 N ATOM 334 CA ARG A 23 -11.902 10.944 -18.667 1.00 0.00 C ATOM 335 C ARG A 23 -10.896 11.525 -17.616 1.00 0.00 C ATOM 336 O ARG A 23 -10.281 12.559 -17.886 1.00 0.00 O ATOM 337 CB ARG A 23 -13.387 11.180 -18.279 1.00 0.00 C ATOM 338 CG ARG A 23 -13.813 12.662 -18.246 1.00 0.00 C ATOM 339 CD ARG A 23 -15.293 12.842 -17.861 1.00 0.00 C ATOM 340 NE ARG A 23 -15.682 14.272 -17.884 1.00 0.00 N ATOM 341 CZ ARG A 23 -16.877 14.742 -17.476 1.00 0.00 C ATOM 342 NH1 ARG A 23 -17.853 13.977 -16.990 1.00 0.00 N ATOM 343 NH2 ARG A 23 -17.096 16.041 -17.565 1.00 0.00 N ATOM 0 H ARG A 23 -12.552 8.932 -18.746 1.00 0.00 H new ATOM 0 HA ARG A 23 -11.663 11.502 -19.572 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -14.023 10.648 -18.987 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -13.567 10.742 -17.297 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -13.188 13.201 -17.534 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -13.639 13.109 -19.225 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -15.922 12.280 -18.551 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -15.465 12.431 -16.866 1.00 0.00 H new ATOM 0 HE ARG A 23 -14.999 14.945 -18.232 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -17.719 12.969 -16.909 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -18.735 14.399 -16.699 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -16.371 16.656 -17.934 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -17.990 16.429 -17.265 1.00 0.00 H new ATOM 357 N GLU A 24 -10.709 10.849 -16.463 1.00 0.00 N ATOM 358 CA GLU A 24 -9.656 11.195 -15.467 1.00 0.00 C ATOM 359 C GLU A 24 -8.188 11.053 -15.980 1.00 0.00 C ATOM 360 O GLU A 24 -7.393 11.955 -15.716 1.00 0.00 O ATOM 361 CB GLU A 24 -9.852 10.371 -14.160 1.00 0.00 C ATOM 362 CG GLU A 24 -11.124 10.663 -13.328 1.00 0.00 C ATOM 363 CD GLU A 24 -11.155 12.059 -12.697 1.00 0.00 C ATOM 364 OE1 GLU A 24 -10.526 12.258 -11.635 1.00 0.00 O ATOM 365 OE2 GLU A 24 -11.806 12.964 -13.264 1.00 0.00 O ATOM 0 H GLU A 24 -11.279 10.048 -16.190 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.790 12.259 -15.270 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -9.856 9.313 -14.424 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.984 10.537 -13.522 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -11.998 10.547 -13.969 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -11.207 9.917 -12.537 1.00 0.00 H new ATOM 372 N LEU A 25 -7.828 9.962 -16.691 1.00 0.00 N ATOM 373 CA LEU A 25 -6.443 9.742 -17.205 1.00 0.00 C ATOM 374 C LEU A 25 -6.013 10.664 -18.391 1.00 0.00 C ATOM 375 O LEU A 25 -4.847 11.061 -18.422 1.00 0.00 O ATOM 376 CB LEU A 25 -6.226 8.231 -17.531 1.00 0.00 C ATOM 377 CG LEU A 25 -5.689 7.341 -16.369 1.00 0.00 C ATOM 378 CD1 LEU A 25 -6.626 7.230 -15.148 1.00 0.00 C ATOM 379 CD2 LEU A 25 -5.347 5.929 -16.886 1.00 0.00 C ATOM 0 H LEU A 25 -8.477 9.211 -16.927 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.777 10.041 -16.396 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -7.175 7.815 -17.869 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.530 8.158 -18.367 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.794 7.852 -16.014 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.167 6.591 -14.394 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.797 8.222 -14.729 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.578 6.798 -15.458 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.974 5.321 -16.062 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.242 5.467 -17.302 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.583 6.000 -17.660 1.00 0.00 H new ATOM 391 N ILE A 26 -6.911 11.014 -19.337 1.00 0.00 N ATOM 392 CA ILE A 26 -6.628 12.002 -20.429 1.00 0.00 C ATOM 393 C ILE A 26 -6.523 13.464 -19.866 1.00 0.00 C ATOM 394 O ILE A 26 -5.544 14.141 -20.184 1.00 0.00 O ATOM 395 CB ILE A 26 -7.626 11.817 -21.629 1.00 0.00 C ATOM 396 CG1 ILE A 26 -7.442 10.421 -22.303 1.00 0.00 C ATOM 397 CG2 ILE A 26 -7.504 12.929 -22.708 1.00 0.00 C ATOM 398 CD1 ILE A 26 -8.586 9.980 -23.218 1.00 0.00 C ATOM 0 H ILE A 26 -7.854 10.627 -19.375 1.00 0.00 H new ATOM 0 HA ILE A 26 -5.643 11.801 -20.850 1.00 0.00 H new ATOM 0 HB ILE A 26 -8.623 11.890 -21.194 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -6.519 10.435 -22.883 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -7.315 9.672 -21.521 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -8.221 12.741 -23.507 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -7.711 13.899 -22.256 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -6.494 12.928 -23.119 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -8.360 8.999 -23.636 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -9.511 9.926 -22.644 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -8.703 10.701 -24.027 1.00 0.00 H new ATOM 410 N SER A 27 -7.479 13.933 -19.032 1.00 0.00 N ATOM 411 CA SER A 27 -7.344 15.207 -18.258 1.00 0.00 C ATOM 412 C SER A 27 -6.117 15.344 -17.292 1.00 0.00 C ATOM 413 O SER A 27 -5.668 16.467 -17.047 1.00 0.00 O ATOM 414 CB SER A 27 -8.674 15.435 -17.501 1.00 0.00 C ATOM 415 OG SER A 27 -8.728 16.738 -16.930 1.00 0.00 O ATOM 0 H SER A 27 -8.363 13.450 -18.871 1.00 0.00 H new ATOM 0 HA SER A 27 -7.134 15.981 -18.997 1.00 0.00 H new ATOM 0 HB2 SER A 27 -9.512 15.301 -18.185 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.781 14.687 -16.716 1.00 0.00 H new ATOM 0 HG SER A 27 -9.580 16.854 -16.460 1.00 0.00 H new ATOM 421 N ARG A 28 -5.577 14.224 -16.773 1.00 0.00 N ATOM 422 CA ARG A 28 -4.298 14.203 -16.001 1.00 0.00 C ATOM 423 C ARG A 28 -3.030 14.232 -16.921 1.00 0.00 C ATOM 424 O ARG A 28 -2.072 14.934 -16.593 1.00 0.00 O ATOM 425 CB ARG A 28 -4.279 12.973 -15.049 1.00 0.00 C ATOM 426 CG ARG A 28 -5.082 13.092 -13.727 1.00 0.00 C ATOM 427 CD ARG A 28 -5.283 11.718 -13.058 1.00 0.00 C ATOM 428 NE ARG A 28 -6.182 11.821 -11.883 1.00 0.00 N ATOM 429 CZ ARG A 28 -6.805 10.775 -11.305 1.00 0.00 C ATOM 430 NH1 ARG A 28 -6.668 9.511 -11.702 1.00 0.00 N ATOM 431 NH2 ARG A 28 -7.602 11.018 -10.281 1.00 0.00 N ATOM 0 H ARG A 28 -6.007 13.304 -16.871 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.256 15.117 -15.408 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.659 12.113 -15.600 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.241 12.756 -14.796 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.558 13.758 -13.041 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.053 13.544 -13.930 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -5.702 11.017 -13.780 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.318 11.317 -12.747 1.00 0.00 H new ATOM 0 HE ARG A 28 -6.340 12.747 -11.485 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.061 9.287 -12.490 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -7.170 8.767 -11.218 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -7.731 11.974 -9.951 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -8.089 10.249 -9.820 1.00 0.00 H new ATOM 445 N ILE A 29 -3.021 13.494 -18.054 1.00 0.00 N ATOM 446 CA ILE A 29 -1.920 13.494 -19.061 1.00 0.00 C ATOM 447 C ILE A 29 -1.859 14.876 -19.787 1.00 0.00 C ATOM 448 O ILE A 29 -1.039 15.716 -19.408 1.00 0.00 O ATOM 449 CB ILE A 29 -2.031 12.183 -19.938 1.00 0.00 C ATOM 450 CG1 ILE A 29 -1.558 10.909 -19.174 1.00 0.00 C ATOM 451 CG2 ILE A 29 -1.385 12.211 -21.351 1.00 0.00 C ATOM 452 CD1 ILE A 29 -0.039 10.746 -18.986 1.00 0.00 C ATOM 0 H ILE A 29 -3.788 12.870 -18.304 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.927 13.422 -18.616 1.00 0.00 H new ATOM 0 HB ILE A 29 -3.105 12.142 -20.122 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.026 10.908 -18.189 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.932 10.034 -19.705 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.536 11.248 -21.839 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.848 12.997 -21.947 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.317 12.407 -21.259 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.163 9.824 -18.442 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.446 10.706 -19.961 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.351 11.593 -18.422 1.00 0.00 H new ATOM 464 N LYS A 30 -2.701 15.097 -20.819 1.00 0.00 N ATOM 465 CA LYS A 30 -2.594 16.246 -21.772 1.00 0.00 C ATOM 466 C LYS A 30 -1.153 16.500 -22.335 1.00 0.00 C ATOM 467 O LYS A 30 -0.572 17.574 -22.150 1.00 0.00 O ATOM 468 CB LYS A 30 -3.289 17.527 -21.217 1.00 0.00 C ATOM 469 CG LYS A 30 -4.811 17.455 -20.944 1.00 0.00 C ATOM 470 CD LYS A 30 -5.683 17.232 -22.199 1.00 0.00 C ATOM 471 CE LYS A 30 -7.191 17.209 -21.893 1.00 0.00 C ATOM 472 NZ LYS A 30 -7.989 17.054 -23.122 1.00 0.00 N ATOM 0 H LYS A 30 -3.487 14.481 -21.025 1.00 0.00 H new ATOM 0 HA LYS A 30 -3.155 15.945 -22.657 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -2.793 17.802 -20.286 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -3.112 18.338 -21.923 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -5.002 16.647 -20.238 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -5.124 18.381 -20.461 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -5.477 18.022 -22.921 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -5.400 16.290 -22.668 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -7.412 16.390 -21.209 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -7.475 18.132 -21.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -9.000 17.042 -22.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -7.796 17.849 -23.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -7.735 16.161 -23.591 1.00 0.00 H new ATOM 486 N GLN A 31 -0.570 15.460 -22.972 1.00 0.00 N ATOM 487 CA GLN A 31 0.867 15.385 -23.333 1.00 0.00 C ATOM 488 C GLN A 31 1.830 15.613 -22.123 1.00 0.00 C ATOM 489 O GLN A 31 2.437 16.682 -22.007 1.00 0.00 O ATOM 490 CB GLN A 31 1.170 16.220 -24.607 1.00 0.00 C ATOM 491 CG GLN A 31 2.456 15.772 -25.328 1.00 0.00 C ATOM 492 CD GLN A 31 2.902 16.732 -26.441 1.00 0.00 C ATOM 493 OE1 GLN A 31 2.415 16.669 -27.571 1.00 0.00 O ATOM 494 NE2 GLN A 31 3.829 17.632 -26.154 1.00 0.00 N ATOM 0 H GLN A 31 -1.094 14.632 -23.256 1.00 0.00 H new ATOM 0 HA GLN A 31 1.088 14.354 -23.610 1.00 0.00 H new ATOM 0 HB2 GLN A 31 0.328 16.142 -25.295 1.00 0.00 H new ATOM 0 HB3 GLN A 31 1.261 17.271 -24.333 1.00 0.00 H new ATOM 0 HG2 GLN A 31 3.259 15.678 -24.597 1.00 0.00 H new ATOM 0 HG3 GLN A 31 2.297 14.782 -25.755 1.00 0.00 H new ATOM 0 HE21 GLN A 31 4.225 17.675 -25.215 1.00 0.00 H new ATOM 0 HE22 GLN A 31 4.147 18.283 -26.872 1.00 0.00 H new ATOM 503 N SER A 32 1.945 14.602 -21.230 1.00 0.00 N ATOM 504 CA SER A 32 2.899 14.611 -20.065 1.00 0.00 C ATOM 505 C SER A 32 2.498 15.591 -18.914 1.00 0.00 C ATOM 506 O SER A 32 1.820 16.598 -19.133 1.00 0.00 O ATOM 507 CB SER A 32 4.372 14.761 -20.537 1.00 0.00 C ATOM 508 OG SER A 32 5.303 14.555 -19.485 1.00 0.00 O ATOM 0 H SER A 32 1.385 13.751 -21.285 1.00 0.00 H new ATOM 0 HA SER A 32 2.820 13.629 -19.598 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.568 14.047 -21.337 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.516 15.757 -20.956 1.00 0.00 H new ATOM 0 HG SER A 32 6.214 14.658 -19.830 1.00 0.00 H new ATOM 514 N GLU A 33 2.957 15.239 -17.697 1.00 0.00 N ATOM 515 CA GLU A 33 2.677 15.913 -16.387 1.00 0.00 C ATOM 516 C GLU A 33 2.153 14.933 -15.297 1.00 0.00 C ATOM 517 O GLU A 33 2.610 14.988 -14.151 1.00 0.00 O ATOM 518 CB GLU A 33 2.037 17.336 -16.317 1.00 0.00 C ATOM 519 CG GLU A 33 0.497 17.453 -16.452 1.00 0.00 C ATOM 520 CD GLU A 33 -0.256 17.497 -15.116 1.00 0.00 C ATOM 521 OE1 GLU A 33 -0.460 18.608 -14.580 1.00 0.00 O ATOM 522 OE2 GLU A 33 -0.644 16.430 -14.595 1.00 0.00 O ATOM 0 H GLU A 33 3.570 14.432 -17.581 1.00 0.00 H new ATOM 0 HA GLU A 33 3.697 16.219 -16.153 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.323 17.783 -15.365 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.487 17.943 -17.102 1.00 0.00 H new ATOM 0 HG2 GLU A 33 0.262 18.355 -17.017 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.130 16.607 -17.034 1.00 0.00 H new ATOM 529 N LEU A 34 1.246 14.012 -15.671 1.00 0.00 N ATOM 530 CA LEU A 34 1.087 12.715 -14.950 1.00 0.00 C ATOM 531 C LEU A 34 2.251 11.721 -15.251 1.00 0.00 C ATOM 532 O LEU A 34 2.708 11.033 -14.334 1.00 0.00 O ATOM 533 CB LEU A 34 -0.324 12.133 -15.251 1.00 0.00 C ATOM 534 CG LEU A 34 -0.823 10.836 -14.538 1.00 0.00 C ATOM 535 CD1 LEU A 34 -0.370 9.533 -15.227 1.00 0.00 C ATOM 536 CD2 LEU A 34 -0.530 10.784 -13.025 1.00 0.00 C ATOM 0 H LEU A 34 0.612 14.131 -16.461 1.00 0.00 H new ATOM 0 HA LEU A 34 1.154 12.891 -13.876 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.048 12.918 -15.031 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.371 11.947 -16.324 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.906 10.901 -14.643 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.755 8.676 -14.674 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.753 9.509 -16.247 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.719 9.492 -15.247 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.911 9.850 -12.613 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.546 10.841 -12.861 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.018 11.624 -12.531 1.00 0.00 H new ATOM 548 N SER A 35 2.741 11.678 -16.508 1.00 0.00 N ATOM 549 CA SER A 35 3.970 10.939 -16.873 1.00 0.00 C ATOM 550 C SER A 35 5.223 11.788 -16.490 1.00 0.00 C ATOM 551 O SER A 35 5.473 11.926 -15.289 1.00 0.00 O ATOM 552 CB SER A 35 3.857 10.486 -18.347 1.00 0.00 C ATOM 553 OG SER A 35 2.856 9.490 -18.518 1.00 0.00 O ATOM 0 H SER A 35 2.299 12.152 -17.296 1.00 0.00 H new ATOM 0 HA SER A 35 4.094 10.017 -16.306 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.625 11.346 -18.975 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.818 10.097 -18.682 1.00 0.00 H new ATOM 0 HG SER A 35 2.812 9.229 -19.462 1.00 0.00 H new ATOM 559 N ALA A 36 5.998 12.328 -17.462 1.00 0.00 N ATOM 560 CA ALA A 36 7.286 13.067 -17.213 1.00 0.00 C ATOM 561 C ALA A 36 8.461 12.152 -16.755 1.00 0.00 C ATOM 562 O ALA A 36 9.420 11.961 -17.508 1.00 0.00 O ATOM 563 CB ALA A 36 7.111 14.343 -16.362 1.00 0.00 C ATOM 0 H ALA A 36 5.756 12.269 -18.451 1.00 0.00 H new ATOM 0 HA ALA A 36 7.596 13.430 -18.193 1.00 0.00 H new ATOM 0 HB1 ALA A 36 8.080 14.823 -16.223 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.435 15.030 -16.871 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.695 14.078 -15.390 1.00 0.00 H new ATOM 569 N LYS A 37 8.358 11.557 -15.552 1.00 0.00 N ATOM 570 CA LYS A 37 9.171 10.371 -15.158 1.00 0.00 C ATOM 571 C LYS A 37 8.786 9.061 -15.917 1.00 0.00 C ATOM 572 O LYS A 37 9.693 8.315 -16.290 1.00 0.00 O ATOM 573 CB LYS A 37 9.136 10.137 -13.624 1.00 0.00 C ATOM 574 CG LYS A 37 9.856 11.215 -12.784 1.00 0.00 C ATOM 575 CD LYS A 37 9.847 10.905 -11.272 1.00 0.00 C ATOM 576 CE LYS A 37 10.597 11.929 -10.397 1.00 0.00 C ATOM 577 NZ LYS A 37 9.909 13.231 -10.301 1.00 0.00 N ATOM 0 H LYS A 37 7.717 11.875 -14.825 1.00 0.00 H new ATOM 0 HA LYS A 37 10.191 10.614 -15.456 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.096 10.082 -13.303 1.00 0.00 H new ATOM 0 HB3 LYS A 37 9.587 9.168 -13.409 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.887 11.305 -13.125 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.379 12.180 -12.955 1.00 0.00 H new ATOM 0 HD2 LYS A 37 8.812 10.848 -10.933 1.00 0.00 H new ATOM 0 HD3 LYS A 37 10.289 9.921 -11.115 1.00 0.00 H new ATOM 0 HE2 LYS A 37 10.722 11.518 -9.395 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.596 12.083 -10.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.464 13.873 -9.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 9.812 13.643 -11.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 8.966 13.095 -9.884 1.00 0.00 H new ATOM 591 N MET A 38 7.489 8.791 -16.196 1.00 0.00 N ATOM 592 CA MET A 38 7.072 7.692 -17.117 1.00 0.00 C ATOM 593 C MET A 38 7.404 7.884 -18.645 1.00 0.00 C ATOM 594 O MET A 38 7.101 6.966 -19.416 1.00 0.00 O ATOM 595 CB MET A 38 5.555 7.389 -16.959 1.00 0.00 C ATOM 596 CG MET A 38 5.012 7.059 -15.556 1.00 0.00 C ATOM 597 SD MET A 38 5.906 5.679 -14.793 1.00 0.00 S ATOM 598 CE MET A 38 5.448 4.261 -15.818 1.00 0.00 C ATOM 0 H MET A 38 6.709 9.315 -15.800 1.00 0.00 H new ATOM 0 HA MET A 38 7.688 6.851 -16.798 1.00 0.00 H new ATOM 0 HB2 MET A 38 5.004 8.252 -17.333 1.00 0.00 H new ATOM 0 HB3 MET A 38 5.315 6.550 -17.613 1.00 0.00 H new ATOM 0 HG2 MET A 38 5.092 7.940 -14.919 1.00 0.00 H new ATOM 0 HG3 MET A 38 3.953 6.811 -15.626 1.00 0.00 H new ATOM 0 HE1 MET A 38 5.896 3.356 -15.408 1.00 0.00 H new ATOM 0 HE2 MET A 38 4.363 4.155 -15.829 1.00 0.00 H new ATOM 0 HE3 MET A 38 5.808 4.416 -16.835 1.00 0.00 H new ATOM 608 N ARG A 39 8.049 8.991 -19.092 1.00 0.00 N ATOM 609 CA ARG A 39 8.528 9.147 -20.497 1.00 0.00 C ATOM 610 C ARG A 39 10.062 9.416 -20.567 1.00 0.00 C ATOM 611 O ARG A 39 10.781 8.598 -21.148 1.00 0.00 O ATOM 612 CB ARG A 39 7.703 10.217 -21.267 1.00 0.00 C ATOM 613 CG ARG A 39 6.233 9.837 -21.548 1.00 0.00 C ATOM 614 CD ARG A 39 5.455 10.982 -22.218 1.00 0.00 C ATOM 615 NE ARG A 39 4.006 10.675 -22.303 1.00 0.00 N ATOM 616 CZ ARG A 39 3.111 11.413 -22.987 1.00 0.00 C ATOM 617 NH1 ARG A 39 3.430 12.478 -23.722 1.00 0.00 N ATOM 618 NH2 ARG A 39 1.840 11.060 -22.928 1.00 0.00 N ATOM 0 H ARG A 39 8.252 9.795 -18.499 1.00 0.00 H new ATOM 0 HA ARG A 39 8.361 8.196 -21.002 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.719 11.145 -20.696 1.00 0.00 H new ATOM 0 HB3 ARG A 39 8.197 10.419 -22.217 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.203 8.956 -22.189 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.744 9.567 -20.612 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.601 11.903 -21.653 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.851 11.156 -23.219 1.00 0.00 H new ATOM 0 HE ARG A 39 3.665 9.850 -21.810 1.00 0.00 H new ATOM 0 HH11 ARG A 39 4.403 12.778 -23.791 1.00 0.00 H new ATOM 0 HH12 ARG A 39 2.702 12.993 -24.216 1.00 0.00 H new ATOM 0 HH21 ARG A 39 1.561 10.249 -22.376 1.00 0.00 H new ATOM 0 HH22 ARG A 39 1.137 11.598 -23.435 1.00 0.00 H new ATOM 632 N GLU A 40 10.563 10.544 -20.016 1.00 0.00 N ATOM 633 CA GLU A 40 12.000 10.938 -20.107 1.00 0.00 C ATOM 634 C GLU A 40 12.959 10.015 -19.289 1.00 0.00 C ATOM 635 O GLU A 40 13.859 9.408 -19.878 1.00 0.00 O ATOM 636 CB GLU A 40 12.140 12.445 -19.773 1.00 0.00 C ATOM 637 CG GLU A 40 13.448 13.069 -20.301 1.00 0.00 C ATOM 638 CD GLU A 40 13.701 14.475 -19.756 1.00 0.00 C ATOM 639 OE1 GLU A 40 13.255 15.459 -20.387 1.00 0.00 O ATOM 640 OE2 GLU A 40 14.349 14.604 -18.692 1.00 0.00 O ATOM 0 H GLU A 40 9.991 11.209 -19.496 1.00 0.00 H new ATOM 0 HA GLU A 40 12.332 10.787 -21.134 1.00 0.00 H new ATOM 0 HB2 GLU A 40 11.292 12.984 -20.196 1.00 0.00 H new ATOM 0 HB3 GLU A 40 12.094 12.576 -18.692 1.00 0.00 H new ATOM 0 HG2 GLU A 40 14.286 12.425 -20.033 1.00 0.00 H new ATOM 0 HG3 GLU A 40 13.412 13.108 -21.390 1.00 0.00 H new ATOM 647 N TRP A 41 12.739 9.874 -17.966 1.00 0.00 N ATOM 648 CA TRP A 41 13.396 8.825 -17.135 1.00 0.00 C ATOM 649 C TRP A 41 13.057 7.346 -17.532 1.00 0.00 C ATOM 650 O TRP A 41 13.926 6.487 -17.357 1.00 0.00 O ATOM 651 CB TRP A 41 13.074 9.157 -15.651 1.00 0.00 C ATOM 652 CG TRP A 41 13.644 8.213 -14.585 1.00 0.00 C ATOM 653 CD1 TRP A 41 14.798 8.420 -13.804 1.00 0.00 C ATOM 654 CD2 TRP A 41 13.084 7.037 -14.119 1.00 0.00 C ATOM 655 NE1 TRP A 41 14.970 7.397 -12.851 1.00 0.00 N ATOM 656 CE2 TRP A 41 13.886 6.557 -13.057 1.00 0.00 C ATOM 657 CE3 TRP A 41 11.922 6.330 -14.524 1.00 0.00 C ATOM 658 CZ2 TRP A 41 13.511 5.381 -12.363 1.00 0.00 C ATOM 659 CZ3 TRP A 41 11.563 5.186 -13.813 1.00 0.00 C ATOM 660 CH2 TRP A 41 12.345 4.716 -12.750 1.00 0.00 C ATOM 0 H TRP A 41 12.106 10.476 -17.439 1.00 0.00 H new ATOM 0 HA TRP A 41 14.471 8.857 -17.314 1.00 0.00 H new ATOM 0 HB2 TRP A 41 13.439 10.163 -15.442 1.00 0.00 H new ATOM 0 HB3 TRP A 41 11.990 9.181 -15.537 1.00 0.00 H new ATOM 0 HD1 TRP A 41 15.468 9.259 -13.921 1.00 0.00 H new ATOM 0 HE1 TRP A 41 15.720 7.297 -12.167 1.00 0.00 H new ATOM 0 HE3 TRP A 41 11.331 6.670 -15.362 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 14.115 5.005 -11.550 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 10.665 4.652 -14.087 1.00 0.00 H new ATOM 0 HH2 TRP A 41 12.041 3.825 -12.221 1.00 0.00 H new ATOM 671 N PHE A 42 11.842 7.032 -18.043 1.00 0.00 N ATOM 672 CA PHE A 42 11.521 5.682 -18.601 1.00 0.00 C ATOM 673 C PHE A 42 12.446 5.249 -19.781 1.00 0.00 C ATOM 674 O PHE A 42 12.805 4.075 -19.845 1.00 0.00 O ATOM 675 CB PHE A 42 10.025 5.632 -19.022 1.00 0.00 C ATOM 676 CG PHE A 42 9.416 4.232 -19.237 1.00 0.00 C ATOM 677 CD1 PHE A 42 9.508 3.599 -20.483 1.00 0.00 C ATOM 678 CD2 PHE A 42 8.725 3.595 -18.199 1.00 0.00 C ATOM 679 CE1 PHE A 42 8.939 2.342 -20.679 1.00 0.00 C ATOM 680 CE2 PHE A 42 8.140 2.348 -18.406 1.00 0.00 C ATOM 681 CZ PHE A 42 8.256 1.718 -19.640 1.00 0.00 C ATOM 0 H PHE A 42 11.064 7.690 -18.083 1.00 0.00 H new ATOM 0 HA PHE A 42 11.709 4.961 -17.806 1.00 0.00 H new ATOM 0 HB2 PHE A 42 9.439 6.145 -18.260 1.00 0.00 H new ATOM 0 HB3 PHE A 42 9.912 6.199 -19.946 1.00 0.00 H new ATOM 0 HD1 PHE A 42 10.023 4.088 -21.297 1.00 0.00 H new ATOM 0 HD2 PHE A 42 8.645 4.073 -17.234 1.00 0.00 H new ATOM 0 HE1 PHE A 42 9.028 1.852 -21.637 1.00 0.00 H new ATOM 0 HE2 PHE A 42 7.595 1.869 -17.606 1.00 0.00 H new ATOM 0 HZ PHE A 42 7.816 0.744 -19.792 1.00 0.00 H new ATOM 691 N SER A 43 12.844 6.188 -20.663 1.00 0.00 N ATOM 692 CA SER A 43 13.888 5.957 -21.695 1.00 0.00 C ATOM 693 C SER A 43 15.328 6.167 -21.121 1.00 0.00 C ATOM 694 O SER A 43 16.007 7.156 -21.411 1.00 0.00 O ATOM 695 CB SER A 43 13.566 6.809 -22.946 1.00 0.00 C ATOM 696 OG SER A 43 13.573 8.208 -22.672 1.00 0.00 O ATOM 0 H SER A 43 12.453 7.130 -20.684 1.00 0.00 H new ATOM 0 HA SER A 43 13.876 4.913 -22.009 1.00 0.00 H new ATOM 0 HB2 SER A 43 14.295 6.592 -23.727 1.00 0.00 H new ATOM 0 HB3 SER A 43 12.588 6.523 -23.334 1.00 0.00 H new ATOM 0 HG SER A 43 13.691 8.352 -21.710 1.00 0.00 H new ATOM 702 N GLU A 44 15.745 5.202 -20.282 1.00 0.00 N ATOM 703 CA GLU A 44 16.969 5.237 -19.429 1.00 0.00 C ATOM 704 C GLU A 44 16.853 3.981 -18.506 1.00 0.00 C ATOM 705 O GLU A 44 17.600 3.016 -18.689 1.00 0.00 O ATOM 706 CB GLU A 44 17.243 6.570 -18.651 1.00 0.00 C ATOM 707 CG GLU A 44 18.488 6.610 -17.736 1.00 0.00 C ATOM 708 CD GLU A 44 19.824 6.448 -18.470 1.00 0.00 C ATOM 709 OE1 GLU A 44 20.362 7.458 -18.978 1.00 0.00 O ATOM 710 OE2 GLU A 44 20.340 5.311 -18.542 1.00 0.00 O ATOM 0 H GLU A 44 15.222 4.334 -20.167 1.00 0.00 H new ATOM 0 HA GLU A 44 17.855 5.208 -20.063 1.00 0.00 H new ATOM 0 HB2 GLU A 44 17.334 7.375 -19.381 1.00 0.00 H new ATOM 0 HB3 GLU A 44 16.368 6.791 -18.040 1.00 0.00 H new ATOM 0 HG2 GLU A 44 18.497 7.558 -17.197 1.00 0.00 H new ATOM 0 HG3 GLU A 44 18.400 5.820 -16.990 1.00 0.00 H new ATOM 717 N THR A 45 15.892 3.987 -17.554 1.00 0.00 N ATOM 718 CA THR A 45 15.483 2.785 -16.766 1.00 0.00 C ATOM 719 C THR A 45 14.257 2.119 -17.490 1.00 0.00 C ATOM 720 O THR A 45 13.103 2.185 -17.057 1.00 0.00 O ATOM 721 CB THR A 45 15.131 3.272 -15.336 1.00 0.00 C ATOM 722 OG1 THR A 45 16.097 4.175 -14.795 1.00 0.00 O ATOM 723 CG2 THR A 45 14.951 2.156 -14.293 1.00 0.00 C ATOM 0 H THR A 45 15.371 4.827 -17.304 1.00 0.00 H new ATOM 0 HA THR A 45 16.273 2.037 -16.695 1.00 0.00 H new ATOM 0 HB THR A 45 14.174 3.768 -15.500 1.00 0.00 H new ATOM 0 HG1 THR A 45 15.640 4.873 -14.281 1.00 0.00 H new ATOM 0 HG21 THR A 45 14.707 2.597 -13.327 1.00 0.00 H new ATOM 0 HG22 THR A 45 14.143 1.494 -14.604 1.00 0.00 H new ATOM 0 HG23 THR A 45 15.875 1.585 -14.208 1.00 0.00 H new ATOM 731 N PHE A 46 14.544 1.518 -18.647 1.00 0.00 N ATOM 732 CA PHE A 46 13.517 1.023 -19.604 1.00 0.00 C ATOM 733 C PHE A 46 13.140 -0.457 -19.335 1.00 0.00 C ATOM 734 O PHE A 46 11.988 -0.711 -18.974 1.00 0.00 O ATOM 735 CB PHE A 46 14.003 1.355 -21.047 1.00 0.00 C ATOM 736 CG PHE A 46 12.998 1.097 -22.182 1.00 0.00 C ATOM 737 CD1 PHE A 46 12.125 2.109 -22.603 1.00 0.00 C ATOM 738 CD2 PHE A 46 12.981 -0.138 -22.839 1.00 0.00 C ATOM 739 CE1 PHE A 46 11.251 1.887 -23.663 1.00 0.00 C ATOM 740 CE2 PHE A 46 12.110 -0.355 -23.904 1.00 0.00 C ATOM 741 CZ PHE A 46 11.245 0.657 -24.315 1.00 0.00 C ATOM 0 H PHE A 46 15.500 1.353 -18.961 1.00 0.00 H new ATOM 0 HA PHE A 46 12.565 1.536 -19.467 1.00 0.00 H new ATOM 0 HB2 PHE A 46 14.291 2.406 -21.078 1.00 0.00 H new ATOM 0 HB3 PHE A 46 14.902 0.772 -21.247 1.00 0.00 H new ATOM 0 HD1 PHE A 46 12.130 3.066 -22.102 1.00 0.00 H new ATOM 0 HD2 PHE A 46 13.646 -0.926 -22.519 1.00 0.00 H new ATOM 0 HE1 PHE A 46 10.577 2.669 -23.980 1.00 0.00 H new ATOM 0 HE2 PHE A 46 12.105 -1.308 -24.412 1.00 0.00 H new ATOM 0 HZ PHE A 46 10.569 0.487 -25.140 1.00 0.00 H new ATOM 751 N GLN A 47 14.080 -1.415 -19.486 1.00 0.00 N ATOM 752 CA GLN A 47 13.834 -2.847 -19.152 1.00 0.00 C ATOM 753 C GLN A 47 13.648 -3.175 -17.638 1.00 0.00 C ATOM 754 O GLN A 47 12.879 -4.084 -17.316 1.00 0.00 O ATOM 755 CB GLN A 47 14.884 -3.750 -19.854 1.00 0.00 C ATOM 756 CG GLN A 47 16.350 -3.754 -19.343 1.00 0.00 C ATOM 757 CD GLN A 47 16.671 -4.854 -18.312 1.00 0.00 C ATOM 758 OE1 GLN A 47 16.641 -4.635 -17.102 1.00 0.00 O ATOM 759 NE2 GLN A 47 16.992 -6.058 -18.763 1.00 0.00 N ATOM 0 H GLN A 47 15.019 -1.229 -19.837 1.00 0.00 H new ATOM 0 HA GLN A 47 12.847 -3.078 -19.554 1.00 0.00 H new ATOM 0 HB2 GLN A 47 14.518 -4.776 -19.805 1.00 0.00 H new ATOM 0 HB3 GLN A 47 14.905 -3.469 -20.907 1.00 0.00 H new ATOM 0 HG2 GLN A 47 17.017 -3.870 -20.197 1.00 0.00 H new ATOM 0 HG3 GLN A 47 16.568 -2.783 -18.898 1.00 0.00 H new ATOM 0 HE21 GLN A 47 17.016 -6.237 -19.767 1.00 0.00 H new ATOM 0 HE22 GLN A 47 17.215 -6.806 -18.106 1.00 0.00 H new ATOM 768 N LYS A 48 14.323 -2.437 -16.729 1.00 0.00 N ATOM 769 CA LYS A 48 14.146 -2.567 -15.252 1.00 0.00 C ATOM 770 C LYS A 48 12.714 -2.214 -14.731 1.00 0.00 C ATOM 771 O LYS A 48 12.155 -2.996 -13.956 1.00 0.00 O ATOM 772 CB LYS A 48 15.239 -1.740 -14.521 1.00 0.00 C ATOM 773 CG LYS A 48 16.669 -2.324 -14.620 1.00 0.00 C ATOM 774 CD LYS A 48 17.761 -1.440 -13.988 1.00 0.00 C ATOM 775 CE LYS A 48 18.208 -0.270 -14.888 1.00 0.00 C ATOM 776 NZ LYS A 48 19.200 0.585 -14.214 1.00 0.00 N ATOM 0 H LYS A 48 15.010 -1.730 -16.992 1.00 0.00 H new ATOM 0 HA LYS A 48 14.263 -3.626 -15.020 1.00 0.00 H new ATOM 0 HB2 LYS A 48 15.245 -0.730 -14.930 1.00 0.00 H new ATOM 0 HB3 LYS A 48 14.968 -1.656 -13.469 1.00 0.00 H new ATOM 0 HG2 LYS A 48 16.684 -3.301 -14.136 1.00 0.00 H new ATOM 0 HG3 LYS A 48 16.911 -2.485 -15.671 1.00 0.00 H new ATOM 0 HD2 LYS A 48 17.391 -1.040 -13.044 1.00 0.00 H new ATOM 0 HD3 LYS A 48 18.627 -2.059 -13.754 1.00 0.00 H new ATOM 0 HE2 LYS A 48 18.633 -0.663 -15.812 1.00 0.00 H new ATOM 0 HE3 LYS A 48 17.340 0.328 -15.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 19.478 1.361 -14.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 18.785 0.979 -13.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 20.038 0.019 -13.972 1.00 0.00 H new ATOM 790 N VAL A 49 12.107 -1.092 -15.181 1.00 0.00 N ATOM 791 CA VAL A 49 10.650 -0.797 -14.968 1.00 0.00 C ATOM 792 C VAL A 49 9.714 -1.834 -15.662 1.00 0.00 C ATOM 793 O VAL A 49 8.754 -2.282 -15.033 1.00 0.00 O ATOM 794 CB VAL A 49 10.255 0.653 -15.414 1.00 0.00 C ATOM 795 CG1 VAL A 49 8.775 1.028 -15.151 1.00 0.00 C ATOM 796 CG2 VAL A 49 11.090 1.766 -14.748 1.00 0.00 C ATOM 0 H VAL A 49 12.599 -0.364 -15.699 1.00 0.00 H new ATOM 0 HA VAL A 49 10.504 -0.876 -13.891 1.00 0.00 H new ATOM 0 HB VAL A 49 10.451 0.606 -16.485 1.00 0.00 H new ATOM 0 HG11 VAL A 49 8.592 2.047 -15.491 1.00 0.00 H new ATOM 0 HG12 VAL A 49 8.124 0.342 -15.694 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.566 0.958 -14.083 1.00 0.00 H new ATOM 0 HG21 VAL A 49 10.755 2.738 -15.109 1.00 0.00 H new ATOM 0 HG22 VAL A 49 10.964 1.718 -13.666 1.00 0.00 H new ATOM 0 HG23 VAL A 49 12.142 1.630 -14.997 1.00 0.00 H new ATOM 806 N LYS A 50 9.941 -2.158 -16.949 1.00 0.00 N ATOM 807 CA LYS A 50 9.008 -2.959 -17.762 1.00 0.00 C ATOM 808 C LYS A 50 8.822 -4.447 -17.317 1.00 0.00 C ATOM 809 O LYS A 50 7.690 -4.933 -17.329 1.00 0.00 O ATOM 810 CB LYS A 50 9.535 -2.767 -19.203 1.00 0.00 C ATOM 811 CG LYS A 50 8.751 -3.452 -20.327 1.00 0.00 C ATOM 812 CD LYS A 50 9.355 -3.148 -21.711 1.00 0.00 C ATOM 813 CE LYS A 50 9.053 -1.756 -22.300 1.00 0.00 C ATOM 814 NZ LYS A 50 7.635 -1.561 -22.660 1.00 0.00 N ATOM 0 H LYS A 50 10.779 -1.871 -17.455 1.00 0.00 H new ATOM 0 HA LYS A 50 7.979 -2.618 -17.647 1.00 0.00 H new ATOM 0 HB2 LYS A 50 9.565 -1.698 -19.413 1.00 0.00 H new ATOM 0 HB3 LYS A 50 10.563 -3.127 -19.239 1.00 0.00 H new ATOM 0 HG2 LYS A 50 8.744 -4.529 -20.162 1.00 0.00 H new ATOM 0 HG3 LYS A 50 7.713 -3.119 -20.302 1.00 0.00 H new ATOM 0 HD2 LYS A 50 10.437 -3.263 -21.644 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.997 -3.901 -22.413 1.00 0.00 H new ATOM 0 HE2 LYS A 50 9.344 -0.994 -21.577 1.00 0.00 H new ATOM 0 HE3 LYS A 50 9.668 -1.605 -23.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.504 -0.605 -23.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 7.358 -2.266 -23.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 7.043 -1.674 -21.812 1.00 0.00 H new ATOM 828 N GLU A 51 9.897 -5.141 -16.890 1.00 0.00 N ATOM 829 CA GLU A 51 9.795 -6.410 -16.107 1.00 0.00 C ATOM 830 C GLU A 51 9.146 -6.313 -14.681 1.00 0.00 C ATOM 831 O GLU A 51 8.588 -7.309 -14.213 1.00 0.00 O ATOM 832 CB GLU A 51 11.182 -7.117 -16.080 1.00 0.00 C ATOM 833 CG GLU A 51 12.264 -6.537 -15.130 1.00 0.00 C ATOM 834 CD GLU A 51 13.657 -7.114 -15.381 1.00 0.00 C ATOM 835 OE1 GLU A 51 13.995 -8.162 -14.789 1.00 0.00 O ATOM 836 OE2 GLU A 51 14.422 -6.520 -16.173 1.00 0.00 O ATOM 0 H GLU A 51 10.857 -4.848 -17.072 1.00 0.00 H new ATOM 0 HA GLU A 51 9.067 -7.019 -16.643 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.022 -8.161 -15.810 1.00 0.00 H new ATOM 0 HB3 GLU A 51 11.584 -7.108 -17.093 1.00 0.00 H new ATOM 0 HG2 GLU A 51 12.300 -5.454 -15.248 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.976 -6.735 -14.098 1.00 0.00 H new ATOM 843 N LYS A 52 9.225 -5.146 -14.001 1.00 0.00 N ATOM 844 CA LYS A 52 8.654 -4.926 -12.645 1.00 0.00 C ATOM 845 C LYS A 52 7.094 -4.872 -12.662 1.00 0.00 C ATOM 846 O LYS A 52 6.475 -5.779 -12.098 1.00 0.00 O ATOM 847 CB LYS A 52 9.361 -3.684 -12.025 1.00 0.00 C ATOM 848 CG LYS A 52 9.002 -3.365 -10.560 1.00 0.00 C ATOM 849 CD LYS A 52 9.778 -2.147 -10.011 1.00 0.00 C ATOM 850 CE LYS A 52 9.415 -1.748 -8.567 1.00 0.00 C ATOM 851 NZ LYS A 52 9.890 -2.715 -7.557 1.00 0.00 N ATOM 0 H LYS A 52 9.691 -4.321 -14.379 1.00 0.00 H new ATOM 0 HA LYS A 52 8.855 -5.776 -11.993 1.00 0.00 H new ATOM 0 HB2 LYS A 52 10.439 -3.834 -12.090 1.00 0.00 H new ATOM 0 HB3 LYS A 52 9.123 -2.813 -12.635 1.00 0.00 H new ATOM 0 HG2 LYS A 52 7.932 -3.173 -10.485 1.00 0.00 H new ATOM 0 HG3 LYS A 52 9.214 -4.236 -9.940 1.00 0.00 H new ATOM 0 HD2 LYS A 52 10.845 -2.363 -10.056 1.00 0.00 H new ATOM 0 HD3 LYS A 52 9.598 -1.294 -10.665 1.00 0.00 H new ATOM 0 HE2 LYS A 52 9.841 -0.768 -8.350 1.00 0.00 H new ATOM 0 HE3 LYS A 52 8.332 -1.650 -8.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 9.615 -2.390 -6.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 9.465 -3.646 -7.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 10.926 -2.791 -7.610 1.00 0.00 H new ATOM 865 N LEU A 53 6.471 -3.865 -13.317 1.00 0.00 N ATOM 866 CA LEU A 53 5.001 -3.861 -13.571 1.00 0.00 C ATOM 867 C LEU A 53 4.740 -4.518 -14.969 1.00 0.00 C ATOM 868 O LEU A 53 5.382 -4.100 -15.937 1.00 0.00 O ATOM 869 CB LEU A 53 4.370 -2.460 -13.323 1.00 0.00 C ATOM 870 CG LEU A 53 4.313 -1.437 -14.481 1.00 0.00 C ATOM 871 CD1 LEU A 53 3.415 -0.237 -14.124 1.00 0.00 C ATOM 872 CD2 LEU A 53 5.691 -0.937 -14.948 1.00 0.00 C ATOM 0 H LEU A 53 6.957 -3.045 -13.680 1.00 0.00 H new ATOM 0 HA LEU A 53 4.469 -4.477 -12.846 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.349 -2.618 -12.976 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.917 -1.995 -12.503 1.00 0.00 H new ATOM 0 HG LEU A 53 3.880 -1.984 -15.319 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.396 0.464 -14.958 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.403 -0.587 -13.921 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.810 0.263 -13.239 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.562 -0.224 -15.762 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.203 -0.451 -14.117 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.286 -1.782 -15.296 1.00 0.00 H new ATOM 884 N LYS A 54 3.875 -5.559 -15.101 1.00 0.00 N ATOM 885 CA LYS A 54 3.777 -6.402 -16.336 1.00 0.00 C ATOM 886 C LYS A 54 5.123 -7.074 -16.792 1.00 0.00 C ATOM 887 O LYS A 54 6.118 -7.042 -16.060 1.00 0.00 O ATOM 888 CB LYS A 54 2.824 -5.786 -17.418 1.00 0.00 C ATOM 889 CG LYS A 54 3.142 -4.418 -18.069 1.00 0.00 C ATOM 890 CD LYS A 54 4.368 -4.380 -19.008 1.00 0.00 C ATOM 891 CE LYS A 54 4.666 -2.989 -19.604 1.00 0.00 C ATOM 892 NZ LYS A 54 5.231 -2.040 -18.626 1.00 0.00 N ATOM 0 H LYS A 54 3.228 -5.840 -14.364 1.00 0.00 H new ATOM 0 HA LYS A 54 3.237 -7.310 -16.068 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.744 -6.514 -18.225 1.00 0.00 H new ATOM 0 HB3 LYS A 54 1.836 -5.703 -16.965 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.267 -4.095 -18.634 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.296 -3.688 -17.275 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.244 -4.722 -18.457 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.209 -5.086 -19.823 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.362 -3.100 -20.435 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.745 -2.573 -20.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.602 -1.216 -18.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.321 -2.507 -17.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.169 -1.727 -18.948 1.00 0.00 H new ATOM 906 N ILE A 55 5.139 -7.730 -17.970 1.00 0.00 N ATOM 907 CA ILE A 55 6.355 -8.403 -18.521 1.00 0.00 C ATOM 908 C ILE A 55 6.750 -7.615 -19.808 1.00 0.00 C ATOM 909 O ILE A 55 7.676 -6.803 -19.746 1.00 0.00 O ATOM 910 CB ILE A 55 6.201 -9.963 -18.630 1.00 0.00 C ATOM 911 CG1 ILE A 55 5.994 -10.606 -17.223 1.00 0.00 C ATOM 912 CG2 ILE A 55 7.417 -10.623 -19.336 1.00 0.00 C ATOM 913 CD1 ILE A 55 5.601 -12.085 -17.216 1.00 0.00 C ATOM 0 H ILE A 55 4.319 -7.814 -18.571 1.00 0.00 H new ATOM 0 HA ILE A 55 7.206 -8.355 -17.841 1.00 0.00 H new ATOM 0 HB ILE A 55 5.317 -10.147 -19.240 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.916 -10.492 -16.654 1.00 0.00 H new ATOM 0 HG13 ILE A 55 5.223 -10.043 -16.697 1.00 0.00 H new ATOM 0 HG21 ILE A 55 7.266 -11.701 -19.388 1.00 0.00 H new ATOM 0 HG22 ILE A 55 7.515 -10.221 -20.344 1.00 0.00 H new ATOM 0 HG23 ILE A 55 8.325 -10.411 -18.771 1.00 0.00 H new ATOM 0 HD11 ILE A 55 5.484 -12.426 -16.187 1.00 0.00 H new ATOM 0 HD12 ILE A 55 4.660 -12.214 -17.750 1.00 0.00 H new ATOM 0 HD13 ILE A 55 6.379 -12.671 -17.706 1.00 0.00 H new ATOM 925 N ASP A 56 6.065 -7.851 -20.949 1.00 0.00 N ATOM 926 CA ASP A 56 6.423 -7.237 -22.257 1.00 0.00 C ATOM 927 C ASP A 56 5.727 -5.852 -22.434 1.00 0.00 C ATOM 928 O ASP A 56 6.386 -4.831 -22.219 1.00 0.00 O ATOM 929 CB ASP A 56 6.182 -8.287 -23.380 1.00 0.00 C ATOM 930 CG ASP A 56 6.718 -7.877 -24.759 1.00 0.00 C ATOM 931 OD1 ASP A 56 7.915 -8.107 -25.035 1.00 0.00 O ATOM 932 OD2 ASP A 56 5.943 -7.319 -25.568 1.00 0.00 O ATOM 0 H ASP A 56 5.253 -8.467 -20.995 1.00 0.00 H new ATOM 0 HA ASP A 56 7.482 -6.986 -22.312 1.00 0.00 H new ATOM 0 HB2 ASP A 56 6.649 -9.227 -23.087 1.00 0.00 H new ATOM 0 HB3 ASP A 56 5.111 -8.475 -23.461 1.00 0.00 H new ATOM 937 N SER A 57 4.433 -5.808 -22.821 1.00 0.00 N ATOM 938 CA SER A 57 3.695 -4.543 -23.051 1.00 0.00 C ATOM 939 C SER A 57 2.248 -4.735 -22.550 1.00 0.00 C ATOM 940 O SER A 57 1.889 -4.127 -21.517 1.00 0.00 O ATOM 941 CB SER A 57 3.775 -4.130 -24.539 1.00 0.00 C ATOM 942 OG SER A 57 3.158 -2.866 -24.748 1.00 0.00 O ATOM 943 OXT SER A 57 1.465 -5.486 -23.177 1.00 0.00 O ATOM 0 H SER A 57 3.871 -6.644 -22.983 1.00 0.00 H new ATOM 0 HA SER A 57 4.144 -3.721 -22.493 1.00 0.00 H new ATOM 0 HB2 SER A 57 4.818 -4.087 -24.853 1.00 0.00 H new ATOM 0 HB3 SER A 57 3.287 -4.884 -25.157 1.00 0.00 H new ATOM 0 HG SER A 57 3.222 -2.624 -25.695 1.00 0.00 H new TER 949 SER A 57