USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 634 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -103:sc= 1.26 (180deg=-0.0291) USER MOD Single : A 9 SER OG : rot -99:sc= 0.158 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= 0.272 X(o=0.27,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 8:sc= -0.17 USER MOD Single : A 34 ASN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 38 LYS NZ :NH3+ -159:sc= 0.56 (180deg=0.365) USER MOD Single : A 42 GLN : amide:sc= -0.039 X(o=-0.039,f=-0.039) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.175 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -124:sc= 0.722 (180deg=0.0695) USER MOD Single : A 50 MET CE :methyl -143:sc= -0.448 (180deg=-2.52) USER MOD Single : A 52 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0251) USER MOD Single : A 55 LYS NZ :NH3+ -107:sc= 0.705 (180deg=0.00253) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -119:sc= -2.68! (180deg=-8.15!) USER MOD Single : A 60 ASN : amide:sc= -0.287 K(o=-0.29,f=-3.6!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 177:sc= 0.249 (180deg=0.214) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 HIS :FLIP no HD1:sc= -0.0214 F(o=-0.73,f=-0.021) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 HIS : no HD1:sc= -0.0242 X(o=-0.024,f=-0.42) USER MOD Single : A 76 HIS : no HD1:sc= -0.118 X(o=-0.12,f=-0.0038) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.128 13.924 -4.446 1.00 10.40 N ATOM 2 CA MET A 1 -0.080 12.803 -5.377 1.00 21.23 C ATOM 3 C MET A 1 1.248 12.057 -5.620 1.00 13.44 C ATOM 4 O MET A 1 2.073 12.441 -6.459 1.00 55.03 O ATOM 5 CB MET A 1 -0.757 13.286 -6.706 1.00 54.22 C ATOM 6 CG MET A 1 -0.035 14.415 -7.462 1.00 50.53 C ATOM 7 SD MET A 1 -0.849 14.826 -9.024 1.00 53.45 S ATOM 8 CE MET A 1 0.356 15.917 -9.787 1.00 15.44 C ATOM 0 H1 MET A 1 -0.774 14.418 -4.291 1.00 10.40 H new ATOM 0 H2 MET A 1 0.484 13.561 -3.539 1.00 10.40 H new ATOM 0 H3 MET A 1 0.821 14.586 -4.850 1.00 10.40 H new ATOM 0 HA MET A 1 -0.772 12.092 -4.925 1.00 21.23 H new ATOM 0 HB2 MET A 1 -0.850 12.430 -7.375 1.00 54.22 H new ATOM 0 HB3 MET A 1 -1.768 13.620 -6.474 1.00 54.22 H new ATOM 0 HG2 MET A 1 0.006 15.303 -6.831 1.00 50.53 H new ATOM 0 HG3 MET A 1 0.995 14.117 -7.659 1.00 50.53 H new ATOM 0 HE1 MET A 1 -0.015 16.247 -10.757 1.00 15.44 H new ATOM 0 HE2 MET A 1 0.519 16.784 -9.147 1.00 15.44 H new ATOM 0 HE3 MET A 1 1.297 15.383 -9.921 1.00 15.44 H new ATOM 20 N VAL A 2 1.473 11.021 -4.798 1.00 62.41 N ATOM 21 CA VAL A 2 2.637 10.126 -4.887 1.00 1.32 C ATOM 22 C VAL A 2 2.114 8.727 -5.202 1.00 61.11 C ATOM 23 O VAL A 2 1.261 8.209 -4.475 1.00 23.24 O ATOM 24 CB VAL A 2 3.475 10.117 -3.553 1.00 1.35 C ATOM 25 CG1 VAL A 2 4.678 9.144 -3.643 1.00 10.42 C ATOM 26 CG2 VAL A 2 3.939 11.548 -3.195 1.00 45.01 C ATOM 0 H VAL A 2 0.838 10.777 -4.038 1.00 62.41 H new ATOM 0 HA VAL A 2 3.309 10.477 -5.670 1.00 1.32 H new ATOM 0 HB VAL A 2 2.828 9.757 -2.753 1.00 1.35 H new ATOM 0 HG11 VAL A 2 5.233 9.164 -2.705 1.00 10.42 H new ATOM 0 HG12 VAL A 2 4.315 8.133 -3.828 1.00 10.42 H new ATOM 0 HG13 VAL A 2 5.333 9.450 -4.459 1.00 10.42 H new ATOM 0 HG21 VAL A 2 4.516 11.523 -2.271 1.00 45.01 H new ATOM 0 HG22 VAL A 2 4.560 11.941 -4.000 1.00 45.01 H new ATOM 0 HG23 VAL A 2 3.068 12.190 -3.061 1.00 45.01 H new ATOM 36 N ASP A 3 2.631 8.125 -6.280 1.00 31.44 N ATOM 37 CA ASP A 3 2.136 6.843 -6.784 1.00 24.34 C ATOM 38 C ASP A 3 2.914 5.702 -6.111 1.00 51.24 C ATOM 39 O ASP A 3 4.121 5.542 -6.337 1.00 2.11 O ATOM 40 CB ASP A 3 2.276 6.756 -8.327 1.00 51.40 C ATOM 41 CG ASP A 3 1.485 5.574 -8.935 1.00 3.02 C ATOM 42 OD1 ASP A 3 1.979 4.420 -8.927 1.00 15.44 O ATOM 43 OD2 ASP A 3 0.356 5.794 -9.426 1.00 53.33 O ATOM 0 H ASP A 3 3.401 8.513 -6.824 1.00 31.44 H new ATOM 0 HA ASP A 3 1.076 6.756 -6.544 1.00 24.34 H new ATOM 0 HB2 ASP A 3 1.927 7.688 -8.772 1.00 51.40 H new ATOM 0 HB3 ASP A 3 3.330 6.654 -8.586 1.00 51.40 H new ATOM 48 N LEU A 4 2.218 4.958 -5.243 1.00 74.24 N ATOM 49 CA LEU A 4 2.741 3.744 -4.615 1.00 74.22 C ATOM 50 C LEU A 4 2.012 2.553 -5.245 1.00 72.41 C ATOM 51 O LEU A 4 0.811 2.369 -5.030 1.00 75.30 O ATOM 52 CB LEU A 4 2.498 3.793 -3.076 1.00 64.45 C ATOM 53 CG LEU A 4 3.050 5.057 -2.342 1.00 11.10 C ATOM 54 CD1 LEU A 4 2.771 4.995 -0.830 1.00 44.31 C ATOM 55 CD2 LEU A 4 4.550 5.252 -2.615 1.00 12.54 C ATOM 0 H LEU A 4 1.266 5.186 -4.956 1.00 74.24 H new ATOM 0 HA LEU A 4 3.815 3.653 -4.775 1.00 74.22 H new ATOM 0 HB2 LEU A 4 1.425 3.730 -2.894 1.00 64.45 H new ATOM 0 HB3 LEU A 4 2.950 2.909 -2.627 1.00 64.45 H new ATOM 0 HG LEU A 4 2.522 5.922 -2.743 1.00 11.10 H new ATOM 0 HD11 LEU A 4 3.168 5.889 -0.350 1.00 44.31 H new ATOM 0 HD12 LEU A 4 1.696 4.939 -0.660 1.00 44.31 H new ATOM 0 HD13 LEU A 4 3.251 4.113 -0.407 1.00 44.31 H new ATOM 0 HD21 LEU A 4 4.903 6.140 -2.090 1.00 12.54 H new ATOM 0 HD22 LEU A 4 5.100 4.379 -2.263 1.00 12.54 H new ATOM 0 HD23 LEU A 4 4.712 5.375 -3.686 1.00 12.54 H new ATOM 67 N LYS A 5 2.736 1.771 -6.047 1.00 74.14 N ATOM 68 CA LYS A 5 2.189 0.606 -6.746 1.00 22.13 C ATOM 69 C LYS A 5 2.928 -0.642 -6.225 1.00 14.25 C ATOM 70 O LYS A 5 4.116 -0.819 -6.487 1.00 70.43 O ATOM 71 CB LYS A 5 2.353 0.817 -8.291 1.00 62.05 C ATOM 72 CG LYS A 5 1.381 0.004 -9.193 1.00 42.24 C ATOM 73 CD LYS A 5 1.624 -1.521 -9.171 1.00 43.11 C ATOM 74 CE LYS A 5 3.018 -1.920 -9.689 1.00 70.34 C ATOM 75 NZ LYS A 5 3.274 -3.368 -9.490 1.00 53.52 N ATOM 0 H LYS A 5 3.727 1.929 -6.232 1.00 74.14 H new ATOM 0 HA LYS A 5 1.124 0.472 -6.557 1.00 22.13 H new ATOM 0 HB2 LYS A 5 2.221 1.877 -8.510 1.00 62.05 H new ATOM 0 HB3 LYS A 5 3.376 0.560 -8.567 1.00 62.05 H new ATOM 0 HG2 LYS A 5 0.357 0.202 -8.876 1.00 42.24 H new ATOM 0 HG3 LYS A 5 1.471 0.360 -10.219 1.00 42.24 H new ATOM 0 HD2 LYS A 5 1.504 -1.887 -8.151 1.00 43.11 H new ATOM 0 HD3 LYS A 5 0.864 -2.012 -9.778 1.00 43.11 H new ATOM 0 HE2 LYS A 5 3.098 -1.677 -10.749 1.00 70.34 H new ATOM 0 HE3 LYS A 5 3.781 -1.339 -9.170 1.00 70.34 H new ATOM 0 HZ1 LYS A 5 3.906 -3.500 -8.674 1.00 53.52 H new ATOM 0 HZ2 LYS A 5 2.374 -3.859 -9.314 1.00 53.52 H new ATOM 0 HZ3 LYS A 5 3.722 -3.762 -10.342 1.00 53.52 H new ATOM 89 N ILE A 6 2.201 -1.512 -5.509 1.00 62.21 N ATOM 90 CA ILE A 6 2.765 -2.708 -4.845 1.00 45.54 C ATOM 91 C ILE A 6 2.196 -3.958 -5.540 1.00 53.34 C ATOM 92 O ILE A 6 0.998 -4.023 -5.775 1.00 13.04 O ATOM 93 CB ILE A 6 2.415 -2.777 -3.295 1.00 50.45 C ATOM 94 CG1 ILE A 6 2.904 -1.502 -2.508 1.00 33.12 C ATOM 95 CG2 ILE A 6 3.007 -4.069 -2.665 1.00 21.12 C ATOM 96 CD1 ILE A 6 2.032 -0.257 -2.651 1.00 43.51 C ATOM 0 H ILE A 6 1.196 -1.409 -5.370 1.00 62.21 H new ATOM 0 HA ILE A 6 3.851 -2.655 -4.928 1.00 45.54 H new ATOM 0 HB ILE A 6 1.328 -2.802 -3.212 1.00 50.45 H new ATOM 0 HG12 ILE A 6 2.972 -1.755 -1.450 1.00 33.12 H new ATOM 0 HG13 ILE A 6 3.912 -1.257 -2.842 1.00 33.12 H new ATOM 0 HG21 ILE A 6 2.760 -4.103 -1.604 1.00 21.12 H new ATOM 0 HG22 ILE A 6 2.587 -4.942 -3.164 1.00 21.12 H new ATOM 0 HG23 ILE A 6 4.090 -4.069 -2.785 1.00 21.12 H new ATOM 0 HD11 ILE A 6 2.462 0.558 -2.068 1.00 43.51 H new ATOM 0 HD12 ILE A 6 1.982 0.034 -3.700 1.00 43.51 H new ATOM 0 HD13 ILE A 6 1.028 -0.472 -2.286 1.00 43.51 H new ATOM 108 N ASP A 7 3.044 -4.946 -5.859 1.00 61.34 N ATOM 109 CA ASP A 7 2.589 -6.221 -6.455 1.00 73.33 C ATOM 110 C ASP A 7 2.026 -7.138 -5.350 1.00 73.13 C ATOM 111 O ASP A 7 2.689 -7.348 -4.322 1.00 1.44 O ATOM 112 CB ASP A 7 3.764 -6.909 -7.190 1.00 60.34 C ATOM 113 CG ASP A 7 4.321 -6.055 -8.341 1.00 0.12 C ATOM 114 OD1 ASP A 7 5.108 -5.112 -8.070 1.00 42.52 O ATOM 115 OD2 ASP A 7 3.960 -6.292 -9.521 1.00 71.31 O ATOM 0 H ASP A 7 4.052 -4.891 -5.716 1.00 61.34 H new ATOM 0 HA ASP A 7 1.800 -6.022 -7.180 1.00 73.33 H new ATOM 0 HB2 ASP A 7 4.562 -7.117 -6.477 1.00 60.34 H new ATOM 0 HB3 ASP A 7 3.430 -7.869 -7.583 1.00 60.34 H new ATOM 120 N VAL A 8 0.801 -7.665 -5.546 1.00 74.51 N ATOM 121 CA VAL A 8 0.140 -8.584 -4.579 1.00 3.34 C ATOM 122 C VAL A 8 -0.411 -9.829 -5.305 1.00 54.23 C ATOM 123 O VAL A 8 -0.971 -9.735 -6.407 1.00 62.23 O ATOM 124 CB VAL A 8 -0.996 -7.891 -3.714 1.00 3.14 C ATOM 125 CG1 VAL A 8 -0.397 -6.846 -2.744 1.00 1.33 C ATOM 126 CG2 VAL A 8 -2.100 -7.265 -4.592 1.00 61.13 C ATOM 0 H VAL A 8 0.238 -7.471 -6.374 1.00 74.51 H new ATOM 0 HA VAL A 8 0.913 -8.887 -3.873 1.00 3.34 H new ATOM 0 HB VAL A 8 -1.468 -8.675 -3.122 1.00 3.14 H new ATOM 0 HG11 VAL A 8 -1.198 -6.387 -2.164 1.00 1.33 H new ATOM 0 HG12 VAL A 8 0.305 -7.336 -2.069 1.00 1.33 H new ATOM 0 HG13 VAL A 8 0.125 -6.077 -3.314 1.00 1.33 H new ATOM 0 HG21 VAL A 8 -2.854 -6.803 -3.954 1.00 61.13 H new ATOM 0 HG22 VAL A 8 -1.662 -6.508 -5.243 1.00 61.13 H new ATOM 0 HG23 VAL A 8 -2.565 -8.041 -5.200 1.00 61.13 H new ATOM 136 N SER A 9 -0.222 -10.996 -4.665 1.00 23.40 N ATOM 137 CA SER A 9 -0.542 -12.314 -5.238 1.00 53.42 C ATOM 138 C SER A 9 -2.060 -12.545 -5.320 1.00 63.10 C ATOM 139 O SER A 9 -2.622 -12.663 -6.414 1.00 5.34 O ATOM 140 CB SER A 9 0.134 -13.426 -4.394 1.00 75.14 C ATOM 141 OG SER A 9 -0.089 -14.713 -4.944 1.00 41.21 O ATOM 0 H SER A 9 0.163 -11.050 -3.722 1.00 23.40 H new ATOM 0 HA SER A 9 -0.155 -12.346 -6.257 1.00 53.42 H new ATOM 0 HB2 SER A 9 1.206 -13.237 -4.335 1.00 75.14 H new ATOM 0 HB3 SER A 9 -0.252 -13.394 -3.375 1.00 75.14 H new ATOM 0 HG SER A 9 -0.817 -15.154 -4.459 1.00 41.21 H new ATOM 147 N ASP A 10 -2.722 -12.591 -4.161 1.00 42.43 N ATOM 148 CA ASP A 10 -4.145 -12.967 -4.057 1.00 2.15 C ATOM 149 C ASP A 10 -5.028 -11.749 -3.755 1.00 24.25 C ATOM 150 O ASP A 10 -4.533 -10.637 -3.555 1.00 42.04 O ATOM 151 CB ASP A 10 -4.313 -14.049 -2.962 1.00 30.34 C ATOM 152 CG ASP A 10 -3.679 -15.391 -3.357 1.00 35.30 C ATOM 153 OD1 ASP A 10 -2.473 -15.591 -3.105 1.00 64.24 O ATOM 154 OD2 ASP A 10 -4.372 -16.240 -3.953 1.00 11.22 O ATOM 0 H ASP A 10 -2.291 -12.369 -3.264 1.00 42.43 H new ATOM 0 HA ASP A 10 -4.468 -13.370 -5.017 1.00 2.15 H new ATOM 0 HB2 ASP A 10 -3.861 -13.696 -2.035 1.00 30.34 H new ATOM 0 HB3 ASP A 10 -5.374 -14.197 -2.762 1.00 30.34 H new ATOM 159 N ASP A 11 -6.342 -12.005 -3.679 1.00 2.31 N ATOM 160 CA ASP A 11 -7.379 -10.970 -3.472 1.00 14.10 C ATOM 161 C ASP A 11 -7.512 -10.674 -1.959 1.00 41.31 C ATOM 162 O ASP A 11 -7.924 -9.586 -1.551 1.00 40.13 O ATOM 163 CB ASP A 11 -8.721 -11.463 -4.077 1.00 73.24 C ATOM 164 CG ASP A 11 -9.802 -10.369 -4.126 1.00 43.34 C ATOM 165 OD1 ASP A 11 -9.810 -9.576 -5.093 1.00 43.23 O ATOM 166 OD2 ASP A 11 -10.648 -10.291 -3.204 1.00 12.00 O ATOM 0 H ASP A 11 -6.725 -12.947 -3.760 1.00 2.31 H new ATOM 0 HA ASP A 11 -7.099 -10.044 -3.975 1.00 14.10 H new ATOM 0 HB2 ASP A 11 -8.543 -11.834 -5.086 1.00 73.24 H new ATOM 0 HB3 ASP A 11 -9.090 -12.303 -3.489 1.00 73.24 H new ATOM 171 N GLU A 12 -7.128 -11.677 -1.144 1.00 73.44 N ATOM 172 CA GLU A 12 -7.027 -11.571 0.314 1.00 3.24 C ATOM 173 C GLU A 12 -5.738 -10.821 0.656 1.00 24.25 C ATOM 174 O GLU A 12 -5.719 -9.956 1.525 1.00 14.50 O ATOM 175 CB GLU A 12 -7.003 -12.990 0.939 1.00 11.34 C ATOM 176 CG GLU A 12 -6.837 -13.008 2.471 1.00 72.23 C ATOM 177 CD GLU A 12 -6.600 -14.412 3.033 1.00 72.31 C ATOM 178 OE1 GLU A 12 -7.577 -15.128 3.334 1.00 4.12 O ATOM 179 OE2 GLU A 12 -5.426 -14.816 3.166 1.00 55.42 O ATOM 0 H GLU A 12 -6.875 -12.601 -1.495 1.00 73.44 H new ATOM 0 HA GLU A 12 -7.885 -11.031 0.714 1.00 3.24 H new ATOM 0 HB2 GLU A 12 -7.929 -13.504 0.680 1.00 11.34 H new ATOM 0 HB3 GLU A 12 -6.188 -13.558 0.491 1.00 11.34 H new ATOM 0 HG2 GLU A 12 -6.000 -12.367 2.747 1.00 72.23 H new ATOM 0 HG3 GLU A 12 -7.729 -12.584 2.932 1.00 72.23 H new ATOM 186 N GLU A 13 -4.650 -11.221 -0.026 1.00 13.11 N ATOM 187 CA GLU A 13 -3.357 -10.518 -0.005 1.00 50.22 C ATOM 188 C GLU A 13 -3.496 -9.003 -0.257 1.00 65.41 C ATOM 189 O GLU A 13 -2.790 -8.194 0.365 1.00 34.03 O ATOM 190 CB GLU A 13 -2.411 -11.168 -1.045 1.00 75.24 C ATOM 191 CG GLU A 13 -1.000 -10.554 -1.145 1.00 42.21 C ATOM 192 CD GLU A 13 -0.194 -10.665 0.157 1.00 1.32 C ATOM 193 OE1 GLU A 13 -0.438 -9.880 1.097 1.00 71.33 O ATOM 194 OE2 GLU A 13 0.725 -11.505 0.239 1.00 61.34 O ATOM 0 H GLU A 13 -4.645 -12.054 -0.615 1.00 13.11 H new ATOM 0 HA GLU A 13 -2.936 -10.618 0.995 1.00 50.22 H new ATOM 0 HB2 GLU A 13 -2.310 -12.226 -0.805 1.00 75.24 H new ATOM 0 HB3 GLU A 13 -2.883 -11.108 -2.025 1.00 75.24 H new ATOM 0 HG2 GLU A 13 -0.452 -11.050 -1.946 1.00 42.21 H new ATOM 0 HG3 GLU A 13 -1.088 -9.503 -1.421 1.00 42.21 H new ATOM 201 N ALA A 14 -4.406 -8.636 -1.169 1.00 24.32 N ATOM 202 CA ALA A 14 -4.743 -7.229 -1.421 1.00 61.22 C ATOM 203 C ALA A 14 -5.288 -6.551 -0.140 1.00 1.54 C ATOM 204 O ALA A 14 -4.829 -5.464 0.225 1.00 54.25 O ATOM 205 CB ALA A 14 -5.747 -7.121 -2.579 1.00 75.01 C ATOM 0 H ALA A 14 -4.924 -9.298 -1.747 1.00 24.32 H new ATOM 0 HA ALA A 14 -3.833 -6.702 -1.708 1.00 61.22 H new ATOM 0 HB1 ALA A 14 -5.988 -6.073 -2.755 1.00 75.01 H new ATOM 0 HB2 ALA A 14 -5.310 -7.549 -3.481 1.00 75.01 H new ATOM 0 HB3 ALA A 14 -6.657 -7.665 -2.324 1.00 75.01 H new ATOM 211 N GLU A 15 -6.192 -7.264 0.573 1.00 30.33 N ATOM 212 CA GLU A 15 -6.842 -6.783 1.813 1.00 71.02 C ATOM 213 C GLU A 15 -5.806 -6.534 2.923 1.00 42.33 C ATOM 214 O GLU A 15 -5.946 -5.598 3.706 1.00 73.03 O ATOM 215 CB GLU A 15 -7.892 -7.816 2.318 1.00 3.53 C ATOM 216 CG GLU A 15 -9.090 -8.061 1.376 1.00 20.33 C ATOM 217 CD GLU A 15 -9.983 -9.226 1.836 1.00 13.35 C ATOM 218 OE1 GLU A 15 -10.352 -9.274 3.027 1.00 73.32 O ATOM 219 OE2 GLU A 15 -10.324 -10.098 1.008 1.00 32.31 O ATOM 0 H GLU A 15 -6.493 -8.199 0.299 1.00 30.33 H new ATOM 0 HA GLU A 15 -7.340 -5.843 1.576 1.00 71.02 H new ATOM 0 HB2 GLU A 15 -7.387 -8.767 2.490 1.00 3.53 H new ATOM 0 HB3 GLU A 15 -8.273 -7.479 3.282 1.00 3.53 H new ATOM 0 HG2 GLU A 15 -9.689 -7.153 1.314 1.00 20.33 H new ATOM 0 HG3 GLU A 15 -8.720 -8.268 0.372 1.00 20.33 H new ATOM 226 N LYS A 16 -4.754 -7.381 2.955 1.00 42.22 N ATOM 227 CA LYS A 16 -3.694 -7.322 3.984 1.00 61.43 C ATOM 228 C LYS A 16 -2.985 -5.958 3.966 1.00 61.04 C ATOM 229 O LYS A 16 -2.637 -5.411 5.014 1.00 2.45 O ATOM 230 CB LYS A 16 -2.658 -8.456 3.754 1.00 62.20 C ATOM 231 CG LYS A 16 -3.214 -9.901 3.709 1.00 44.51 C ATOM 232 CD LYS A 16 -3.764 -10.442 5.064 1.00 1.13 C ATOM 233 CE LYS A 16 -5.225 -10.050 5.357 1.00 12.40 C ATOM 234 NZ LYS A 16 -5.688 -10.585 6.664 1.00 72.13 N ATOM 0 H LYS A 16 -4.616 -8.123 2.269 1.00 42.22 H new ATOM 0 HA LYS A 16 -4.163 -7.456 4.959 1.00 61.43 H new ATOM 0 HB2 LYS A 16 -2.141 -8.260 2.815 1.00 62.20 H new ATOM 0 HB3 LYS A 16 -1.912 -8.402 4.546 1.00 62.20 H new ATOM 0 HG2 LYS A 16 -4.012 -9.943 2.968 1.00 44.51 H new ATOM 0 HG3 LYS A 16 -2.423 -10.567 3.364 1.00 44.51 H new ATOM 0 HD2 LYS A 16 -3.684 -11.529 5.067 1.00 1.13 H new ATOM 0 HD3 LYS A 16 -3.132 -10.074 5.872 1.00 1.13 H new ATOM 0 HE2 LYS A 16 -5.317 -8.964 5.355 1.00 12.40 H new ATOM 0 HE3 LYS A 16 -5.869 -10.426 4.562 1.00 12.40 H new ATOM 0 HZ1 LYS A 16 -6.675 -10.300 6.826 1.00 72.13 H new ATOM 0 HZ2 LYS A 16 -5.624 -11.623 6.657 1.00 72.13 H new ATOM 0 HZ3 LYS A 16 -5.090 -10.207 7.426 1.00 72.13 H new ATOM 248 N ILE A 17 -2.811 -5.418 2.753 1.00 42.34 N ATOM 249 CA ILE A 17 -2.149 -4.122 2.523 1.00 42.03 C ATOM 250 C ILE A 17 -3.125 -2.973 2.846 1.00 43.13 C ATOM 251 O ILE A 17 -2.788 -2.032 3.588 1.00 60.51 O ATOM 252 CB ILE A 17 -1.679 -4.002 1.026 1.00 4.10 C ATOM 253 CG1 ILE A 17 -0.961 -5.305 0.546 1.00 22.44 C ATOM 254 CG2 ILE A 17 -0.786 -2.761 0.810 1.00 70.42 C ATOM 255 CD1 ILE A 17 0.204 -5.782 1.395 1.00 32.50 C ATOM 0 H ILE A 17 -3.127 -5.870 1.895 1.00 42.34 H new ATOM 0 HA ILE A 17 -1.277 -4.057 3.174 1.00 42.03 H new ATOM 0 HB ILE A 17 -2.573 -3.874 0.416 1.00 4.10 H new ATOM 0 HG12 ILE A 17 -1.700 -6.105 0.498 1.00 22.44 H new ATOM 0 HG13 ILE A 17 -0.600 -5.143 -0.470 1.00 22.44 H new ATOM 0 HG21 ILE A 17 -0.480 -2.710 -0.235 1.00 70.42 H new ATOM 0 HG22 ILE A 17 -1.344 -1.861 1.069 1.00 70.42 H new ATOM 0 HG23 ILE A 17 0.098 -2.834 1.444 1.00 70.42 H new ATOM 0 HD11 ILE A 17 0.620 -6.692 0.963 1.00 32.50 H new ATOM 0 HD12 ILE A 17 0.973 -5.010 1.425 1.00 32.50 H new ATOM 0 HD13 ILE A 17 -0.144 -5.987 2.408 1.00 32.50 H new ATOM 267 N ILE A 18 -4.351 -3.121 2.293 1.00 21.03 N ATOM 268 CA ILE A 18 -5.432 -2.132 2.395 1.00 24.01 C ATOM 269 C ILE A 18 -5.728 -1.808 3.878 1.00 60.32 C ATOM 270 O ILE A 18 -5.735 -0.645 4.242 1.00 22.40 O ATOM 271 CB ILE A 18 -6.739 -2.618 1.641 1.00 60.43 C ATOM 272 CG1 ILE A 18 -6.470 -2.811 0.107 1.00 44.11 C ATOM 273 CG2 ILE A 18 -7.912 -1.633 1.854 1.00 4.32 C ATOM 274 CD1 ILE A 18 -7.637 -3.383 -0.693 1.00 43.21 C ATOM 0 H ILE A 18 -4.614 -3.947 1.756 1.00 21.03 H new ATOM 0 HA ILE A 18 -5.100 -1.217 1.904 1.00 24.01 H new ATOM 0 HB ILE A 18 -7.018 -3.581 2.068 1.00 60.43 H new ATOM 0 HG12 ILE A 18 -6.196 -1.847 -0.321 1.00 44.11 H new ATOM 0 HG13 ILE A 18 -5.610 -3.470 -0.014 1.00 44.11 H new ATOM 0 HG21 ILE A 18 -8.793 -1.996 1.324 1.00 4.32 H new ATOM 0 HG22 ILE A 18 -8.135 -1.557 2.918 1.00 4.32 H new ATOM 0 HG23 ILE A 18 -7.637 -0.651 1.470 1.00 4.32 H new ATOM 0 HD11 ILE A 18 -7.349 -3.477 -1.740 1.00 43.21 H new ATOM 0 HD12 ILE A 18 -7.901 -4.365 -0.300 1.00 43.21 H new ATOM 0 HD13 ILE A 18 -8.496 -2.716 -0.611 1.00 43.21 H new ATOM 286 N ARG A 19 -5.881 -2.861 4.719 1.00 62.51 N ATOM 287 CA ARG A 19 -6.177 -2.724 6.174 1.00 43.21 C ATOM 288 C ARG A 19 -5.135 -1.844 6.900 1.00 51.32 C ATOM 289 O ARG A 19 -5.512 -0.938 7.646 1.00 21.52 O ATOM 290 CB ARG A 19 -6.263 -4.120 6.868 1.00 22.12 C ATOM 291 CG ARG A 19 -7.478 -4.986 6.451 1.00 65.12 C ATOM 292 CD ARG A 19 -8.837 -4.345 6.808 1.00 32.43 C ATOM 293 NE ARG A 19 -9.982 -5.191 6.413 1.00 24.02 N ATOM 294 CZ ARG A 19 -11.240 -5.065 6.874 1.00 3.45 C ATOM 295 NH1 ARG A 19 -11.562 -4.120 7.763 1.00 70.21 N ATOM 296 NH2 ARG A 19 -12.169 -5.906 6.450 1.00 63.44 N ATOM 0 H ARG A 19 -5.803 -3.830 4.411 1.00 62.51 H new ATOM 0 HA ARG A 19 -7.146 -2.231 6.247 1.00 43.21 H new ATOM 0 HB2 ARG A 19 -5.350 -4.674 6.650 1.00 22.12 H new ATOM 0 HB3 ARG A 19 -6.296 -3.971 7.947 1.00 22.12 H new ATOM 0 HG2 ARG A 19 -7.438 -5.161 5.376 1.00 65.12 H new ATOM 0 HG3 ARG A 19 -7.405 -5.960 6.936 1.00 65.12 H new ATOM 0 HD2 ARG A 19 -8.878 -4.162 7.882 1.00 32.43 H new ATOM 0 HD3 ARG A 19 -8.919 -3.376 6.316 1.00 32.43 H new ATOM 0 HE ARG A 19 -9.804 -5.932 5.735 1.00 24.02 H new ATOM 0 HH11 ARG A 19 -10.848 -3.477 8.105 1.00 70.21 H new ATOM 0 HH12 ARG A 19 -12.522 -4.042 8.099 1.00 70.21 H new ATOM 0 HH21 ARG A 19 -11.928 -6.638 5.782 1.00 63.44 H new ATOM 0 HH22 ARG A 19 -13.127 -5.822 6.791 1.00 63.44 H new ATOM 310 N GLU A 20 -3.834 -2.107 6.640 1.00 72.12 N ATOM 311 CA GLU A 20 -2.712 -1.357 7.254 1.00 71.54 C ATOM 312 C GLU A 20 -2.810 0.140 6.948 1.00 22.23 C ATOM 313 O GLU A 20 -2.694 0.988 7.850 1.00 52.04 O ATOM 314 CB GLU A 20 -1.358 -1.901 6.737 1.00 42.43 C ATOM 315 CG GLU A 20 -1.081 -3.361 7.121 1.00 15.44 C ATOM 316 CD GLU A 20 -0.980 -3.584 8.642 1.00 53.51 C ATOM 317 OE1 GLU A 20 0.089 -3.300 9.219 1.00 71.43 O ATOM 318 OE2 GLU A 20 -1.963 -4.046 9.264 1.00 61.11 O ATOM 0 H GLU A 20 -3.532 -2.842 6.001 1.00 72.12 H new ATOM 0 HA GLU A 20 -2.773 -1.494 8.334 1.00 71.54 H new ATOM 0 HB2 GLU A 20 -1.334 -1.811 5.651 1.00 42.43 H new ATOM 0 HB3 GLU A 20 -0.555 -1.276 7.127 1.00 42.43 H new ATOM 0 HG2 GLU A 20 -1.875 -3.991 6.721 1.00 15.44 H new ATOM 0 HG3 GLU A 20 -0.151 -3.683 6.651 1.00 15.44 H new ATOM 325 N ILE A 21 -3.055 0.435 5.666 1.00 54.13 N ATOM 326 CA ILE A 21 -3.144 1.808 5.168 1.00 22.54 C ATOM 327 C ILE A 21 -4.400 2.517 5.727 1.00 41.12 C ATOM 328 O ILE A 21 -4.306 3.636 6.198 1.00 5.41 O ATOM 329 CB ILE A 21 -3.123 1.837 3.597 1.00 42.52 C ATOM 330 CG1 ILE A 21 -1.864 1.088 3.032 1.00 0.32 C ATOM 331 CG2 ILE A 21 -3.183 3.284 3.067 1.00 75.33 C ATOM 332 CD1 ILE A 21 -0.503 1.625 3.495 1.00 10.22 C ATOM 0 H ILE A 21 -3.197 -0.274 4.946 1.00 54.13 H new ATOM 0 HA ILE A 21 -2.270 2.355 5.521 1.00 22.54 H new ATOM 0 HB ILE A 21 -4.011 1.312 3.246 1.00 42.52 H new ATOM 0 HG12 ILE A 21 -1.933 0.037 3.313 1.00 0.32 H new ATOM 0 HG13 ILE A 21 -1.898 1.129 1.943 1.00 0.32 H new ATOM 0 HG21 ILE A 21 -3.167 3.273 1.977 1.00 75.33 H new ATOM 0 HG22 ILE A 21 -4.101 3.760 3.412 1.00 75.33 H new ATOM 0 HG23 ILE A 21 -2.323 3.843 3.437 1.00 75.33 H new ATOM 0 HD11 ILE A 21 0.294 1.034 3.044 1.00 10.22 H new ATOM 0 HD12 ILE A 21 -0.400 2.666 3.190 1.00 10.22 H new ATOM 0 HD13 ILE A 21 -0.435 1.557 4.581 1.00 10.22 H new ATOM 344 N ARG A 22 -5.552 1.817 5.693 1.00 71.33 N ATOM 345 CA ARG A 22 -6.860 2.328 6.175 1.00 20.45 C ATOM 346 C ARG A 22 -6.826 2.793 7.648 1.00 3.34 C ATOM 347 O ARG A 22 -7.368 3.851 7.978 1.00 73.43 O ATOM 348 CB ARG A 22 -7.956 1.222 6.035 1.00 42.40 C ATOM 349 CG ARG A 22 -8.390 0.861 4.590 1.00 64.42 C ATOM 350 CD ARG A 22 -9.313 1.898 3.927 1.00 74.40 C ATOM 351 NE ARG A 22 -8.644 3.171 3.604 1.00 52.11 N ATOM 352 CZ ARG A 22 -9.281 4.322 3.329 1.00 13.10 C ATOM 353 NH1 ARG A 22 -10.614 4.391 3.333 1.00 74.13 N ATOM 354 NH2 ARG A 22 -8.586 5.403 3.024 1.00 20.23 N ATOM 0 H ARG A 22 -5.605 0.867 5.326 1.00 71.33 H new ATOM 0 HA ARG A 22 -7.093 3.193 5.554 1.00 20.45 H new ATOM 0 HB2 ARG A 22 -7.591 0.316 6.519 1.00 42.40 H new ATOM 0 HB3 ARG A 22 -8.839 1.544 6.587 1.00 42.40 H new ATOM 0 HG2 ARG A 22 -7.498 0.740 3.975 1.00 64.42 H new ATOM 0 HG3 ARG A 22 -8.899 -0.103 4.606 1.00 64.42 H new ATOM 0 HD2 ARG A 22 -9.724 1.472 3.012 1.00 74.40 H new ATOM 0 HD3 ARG A 22 -10.154 2.099 4.591 1.00 74.40 H new ATOM 0 HE ARG A 22 -7.624 3.179 3.588 1.00 52.11 H new ATOM 0 HH11 ARG A 22 -11.167 3.561 3.547 1.00 74.13 H new ATOM 0 HH12 ARG A 22 -11.080 5.274 3.122 1.00 74.13 H new ATOM 0 HH21 ARG A 22 -7.567 5.364 2.997 1.00 20.23 H new ATOM 0 HH22 ARG A 22 -9.068 6.277 2.815 1.00 20.23 H new ATOM 368 N GLU A 23 -6.209 1.985 8.525 1.00 52.32 N ATOM 369 CA GLU A 23 -6.293 2.195 9.983 1.00 53.04 C ATOM 370 C GLU A 23 -5.408 3.363 10.452 1.00 32.11 C ATOM 371 O GLU A 23 -5.806 4.126 11.343 1.00 61.22 O ATOM 372 CB GLU A 23 -5.935 0.887 10.733 1.00 52.32 C ATOM 373 CG GLU A 23 -6.895 -0.290 10.450 1.00 30.13 C ATOM 374 CD GLU A 23 -8.357 -0.005 10.852 1.00 30.13 C ATOM 375 OE1 GLU A 23 -8.733 -0.272 12.016 1.00 35.31 O ATOM 376 OE2 GLU A 23 -9.141 0.486 10.006 1.00 11.43 O ATOM 0 H GLU A 23 -5.646 1.180 8.252 1.00 52.32 H new ATOM 0 HA GLU A 23 -7.322 2.466 10.221 1.00 53.04 H new ATOM 0 HB2 GLU A 23 -4.923 0.590 10.458 1.00 52.32 H new ATOM 0 HB3 GLU A 23 -5.929 1.086 11.805 1.00 52.32 H new ATOM 0 HG2 GLU A 23 -6.859 -0.530 9.387 1.00 30.13 H new ATOM 0 HG3 GLU A 23 -6.544 -1.171 10.987 1.00 30.13 H new ATOM 383 N GLN A 24 -4.212 3.504 9.861 1.00 2.54 N ATOM 384 CA GLN A 24 -3.263 4.575 10.243 1.00 52.14 C ATOM 385 C GLN A 24 -3.504 5.853 9.401 1.00 32.12 C ATOM 386 O GLN A 24 -3.319 6.971 9.889 1.00 23.34 O ATOM 387 CB GLN A 24 -1.802 4.041 10.118 1.00 65.41 C ATOM 388 CG GLN A 24 -0.779 4.775 11.010 1.00 42.20 C ATOM 389 CD GLN A 24 0.570 4.057 11.088 1.00 35.24 C ATOM 390 OE1 GLN A 24 0.783 3.182 11.934 1.00 41.12 O ATOM 391 NE2 GLN A 24 1.486 4.419 10.219 1.00 74.15 N ATOM 0 H GLN A 24 -3.874 2.894 9.117 1.00 2.54 H new ATOM 0 HA GLN A 24 -3.428 4.859 11.282 1.00 52.14 H new ATOM 0 HB2 GLN A 24 -1.792 2.981 10.371 1.00 65.41 H new ATOM 0 HB3 GLN A 24 -1.485 4.124 9.078 1.00 65.41 H new ATOM 0 HG2 GLN A 24 -0.626 5.783 10.624 1.00 42.20 H new ATOM 0 HG3 GLN A 24 -1.189 4.877 12.015 1.00 42.20 H new ATOM 0 HE21 GLN A 24 1.279 5.145 9.533 1.00 74.15 H new ATOM 0 HE22 GLN A 24 2.404 3.974 10.230 1.00 74.15 H new ATOM 400 N TRP A 25 -3.925 5.663 8.138 1.00 72.11 N ATOM 401 CA TRP A 25 -4.313 6.767 7.215 1.00 75.21 C ATOM 402 C TRP A 25 -5.727 6.497 6.620 1.00 43.25 C ATOM 403 O TRP A 25 -5.847 5.911 5.531 1.00 53.51 O ATOM 404 CB TRP A 25 -3.289 6.916 6.058 1.00 15.24 C ATOM 405 CG TRP A 25 -1.867 7.207 6.469 1.00 22.53 C ATOM 406 CD1 TRP A 25 -1.316 8.430 6.738 1.00 13.24 C ATOM 407 CD2 TRP A 25 -0.812 6.250 6.631 1.00 75.24 C ATOM 408 NE1 TRP A 25 0.009 8.286 7.061 1.00 33.24 N ATOM 409 CE2 TRP A 25 0.341 6.960 7.007 1.00 55.23 C ATOM 410 CE3 TRP A 25 -0.737 4.857 6.499 1.00 61.13 C ATOM 411 CZ2 TRP A 25 1.556 6.331 7.247 1.00 25.30 C ATOM 412 CZ3 TRP A 25 0.471 4.234 6.739 1.00 4.42 C ATOM 413 CH2 TRP A 25 1.603 4.971 7.112 1.00 64.21 C ATOM 0 H TRP A 25 -4.009 4.737 7.718 1.00 72.11 H new ATOM 0 HA TRP A 25 -4.327 7.693 7.790 1.00 75.21 H new ATOM 0 HB2 TRP A 25 -3.296 5.997 5.472 1.00 15.24 H new ATOM 0 HB3 TRP A 25 -3.627 7.716 5.400 1.00 15.24 H new ATOM 0 HD1 TRP A 25 -1.846 9.370 6.701 1.00 13.24 H new ATOM 0 HE1 TRP A 25 0.645 9.046 7.303 1.00 33.24 H new ATOM 0 HE3 TRP A 25 -1.607 4.283 6.215 1.00 61.13 H new ATOM 0 HZ2 TRP A 25 2.432 6.896 7.530 1.00 25.30 H new ATOM 0 HZ3 TRP A 25 0.545 3.161 6.638 1.00 4.42 H new ATOM 0 HH2 TRP A 25 2.533 4.454 7.297 1.00 64.21 H new ATOM 424 N PRO A 26 -6.825 6.907 7.325 1.00 12.14 N ATOM 425 CA PRO A 26 -8.221 6.724 6.818 1.00 31.23 C ATOM 426 C PRO A 26 -8.561 7.607 5.594 1.00 71.31 C ATOM 427 O PRO A 26 -9.587 7.398 4.932 1.00 12.14 O ATOM 428 CB PRO A 26 -9.084 7.086 8.051 1.00 45.21 C ATOM 429 CG PRO A 26 -8.228 8.011 8.867 1.00 50.23 C ATOM 430 CD PRO A 26 -6.806 7.532 8.681 1.00 15.43 C ATOM 0 HA PRO A 26 -8.390 5.715 6.443 1.00 31.23 H new ATOM 0 HB2 PRO A 26 -10.014 7.569 7.753 1.00 45.21 H new ATOM 0 HB3 PRO A 26 -9.355 6.196 8.618 1.00 45.21 H new ATOM 0 HG2 PRO A 26 -8.339 9.043 8.533 1.00 50.23 H new ATOM 0 HG3 PRO A 26 -8.515 7.983 9.918 1.00 50.23 H new ATOM 0 HD2 PRO A 26 -6.094 8.356 8.734 1.00 15.43 H new ATOM 0 HD3 PRO A 26 -6.520 6.814 9.450 1.00 15.43 H new ATOM 438 N LYS A 27 -7.704 8.602 5.322 1.00 54.25 N ATOM 439 CA LYS A 27 -7.854 9.517 4.172 1.00 20.02 C ATOM 440 C LYS A 27 -7.038 9.069 2.945 1.00 55.00 C ATOM 441 O LYS A 27 -7.255 9.589 1.844 1.00 61.00 O ATOM 442 CB LYS A 27 -7.423 10.943 4.590 1.00 40.43 C ATOM 443 CG LYS A 27 -5.944 11.053 5.020 1.00 42.31 C ATOM 444 CD LYS A 27 -5.528 12.488 5.404 1.00 1.22 C ATOM 445 CE LYS A 27 -4.105 12.536 5.975 1.00 20.12 C ATOM 446 NZ LYS A 27 -3.726 13.903 6.414 1.00 42.21 N ATOM 0 H LYS A 27 -6.883 8.799 5.894 1.00 54.25 H new ATOM 0 HA LYS A 27 -8.904 9.504 3.881 1.00 20.02 H new ATOM 0 HB2 LYS A 27 -7.600 11.623 3.757 1.00 40.43 H new ATOM 0 HB3 LYS A 27 -8.055 11.276 5.413 1.00 40.43 H new ATOM 0 HG2 LYS A 27 -5.769 10.392 5.868 1.00 42.31 H new ATOM 0 HG3 LYS A 27 -5.309 10.703 4.206 1.00 42.31 H new ATOM 0 HD2 LYS A 27 -5.589 13.131 4.526 1.00 1.22 H new ATOM 0 HD3 LYS A 27 -6.228 12.885 6.139 1.00 1.22 H new ATOM 0 HE2 LYS A 27 -4.030 11.851 6.819 1.00 20.12 H new ATOM 0 HE3 LYS A 27 -3.400 12.190 5.220 1.00 20.12 H new ATOM 0 HZ1 LYS A 27 -2.758 13.890 6.793 1.00 42.21 H new ATOM 0 HZ2 LYS A 27 -3.772 14.553 5.604 1.00 42.21 H new ATOM 0 HZ3 LYS A 27 -4.383 14.225 7.153 1.00 42.21 H new ATOM 460 N ALA A 28 -6.074 8.144 3.149 1.00 52.10 N ATOM 461 CA ALA A 28 -5.186 7.670 2.070 1.00 74.33 C ATOM 462 C ALA A 28 -5.989 6.948 0.984 1.00 41.02 C ATOM 463 O ALA A 28 -6.603 5.910 1.249 1.00 13.22 O ATOM 464 CB ALA A 28 -4.099 6.748 2.627 1.00 55.13 C ATOM 0 H ALA A 28 -5.893 7.711 4.055 1.00 52.10 H new ATOM 0 HA ALA A 28 -4.705 8.540 1.624 1.00 74.33 H new ATOM 0 HB1 ALA A 28 -3.456 6.411 1.814 1.00 55.13 H new ATOM 0 HB2 ALA A 28 -3.502 7.291 3.360 1.00 55.13 H new ATOM 0 HB3 ALA A 28 -4.563 5.885 3.104 1.00 55.13 H new ATOM 470 N THR A 29 -5.983 7.520 -0.228 1.00 31.43 N ATOM 471 CA THR A 29 -6.767 7.018 -1.357 1.00 71.53 C ATOM 472 C THR A 29 -6.209 5.658 -1.830 1.00 53.22 C ATOM 473 O THR A 29 -5.189 5.594 -2.520 1.00 25.05 O ATOM 474 CB THR A 29 -6.752 8.079 -2.506 1.00 64.10 C ATOM 475 OG1 THR A 29 -7.334 9.304 -2.021 1.00 0.34 O ATOM 476 CG2 THR A 29 -7.493 7.620 -3.778 1.00 43.22 C ATOM 0 H THR A 29 -5.430 8.348 -0.450 1.00 31.43 H new ATOM 0 HA THR A 29 -7.800 6.858 -1.050 1.00 71.53 H new ATOM 0 HB THR A 29 -5.711 8.225 -2.793 1.00 64.10 H new ATOM 0 HG1 THR A 29 -7.327 9.975 -2.735 1.00 0.34 H new ATOM 0 HG21 THR A 29 -7.442 8.405 -4.532 1.00 43.22 H new ATOM 0 HG22 THR A 29 -7.025 6.715 -4.165 1.00 43.22 H new ATOM 0 HG23 THR A 29 -8.536 7.415 -3.537 1.00 43.22 H new ATOM 484 N VAL A 30 -6.888 4.571 -1.416 1.00 40.14 N ATOM 485 CA VAL A 30 -6.524 3.200 -1.800 1.00 53.42 C ATOM 486 C VAL A 30 -7.413 2.785 -2.973 1.00 44.40 C ATOM 487 O VAL A 30 -8.605 2.522 -2.786 1.00 51.15 O ATOM 488 CB VAL A 30 -6.695 2.163 -0.612 1.00 24.11 C ATOM 489 CG1 VAL A 30 -6.162 0.763 -1.015 1.00 52.05 C ATOM 490 CG2 VAL A 30 -6.016 2.664 0.684 1.00 55.14 C ATOM 0 H VAL A 30 -7.704 4.622 -0.806 1.00 40.14 H new ATOM 0 HA VAL A 30 -5.469 3.191 -2.074 1.00 53.42 H new ATOM 0 HB VAL A 30 -7.762 2.073 -0.407 1.00 24.11 H new ATOM 0 HG11 VAL A 30 -6.291 0.071 -0.183 1.00 52.05 H new ATOM 0 HG12 VAL A 30 -6.716 0.398 -1.880 1.00 52.05 H new ATOM 0 HG13 VAL A 30 -5.104 0.835 -1.266 1.00 52.05 H new ATOM 0 HG21 VAL A 30 -6.154 1.927 1.475 1.00 55.14 H new ATOM 0 HG22 VAL A 30 -4.951 2.808 0.504 1.00 55.14 H new ATOM 0 HG23 VAL A 30 -6.464 3.610 0.987 1.00 55.14 H new ATOM 500 N THR A 31 -6.842 2.762 -4.173 1.00 55.10 N ATOM 501 CA THR A 31 -7.524 2.286 -5.374 1.00 75.31 C ATOM 502 C THR A 31 -7.140 0.815 -5.597 1.00 31.32 C ATOM 503 O THR A 31 -5.961 0.458 -5.526 1.00 73.02 O ATOM 504 CB THR A 31 -7.111 3.166 -6.599 1.00 10.22 C ATOM 505 OG1 THR A 31 -7.454 4.541 -6.340 1.00 40.45 O ATOM 506 CG2 THR A 31 -7.769 2.708 -7.916 1.00 52.33 C ATOM 0 H THR A 31 -5.886 3.075 -4.342 1.00 55.10 H new ATOM 0 HA THR A 31 -8.605 2.362 -5.257 1.00 75.31 H new ATOM 0 HB THR A 31 -6.034 3.056 -6.725 1.00 10.22 H new ATOM 0 HG1 THR A 31 -7.194 5.093 -7.107 1.00 40.45 H new ATOM 0 HG21 THR A 31 -7.444 3.357 -8.730 1.00 52.33 H new ATOM 0 HG22 THR A 31 -7.475 1.681 -8.132 1.00 52.33 H new ATOM 0 HG23 THR A 31 -8.853 2.762 -7.819 1.00 52.33 H new ATOM 514 N ARG A 32 -8.139 -0.039 -5.834 1.00 42.22 N ATOM 515 CA ARG A 32 -7.920 -1.474 -6.045 1.00 72.31 C ATOM 516 C ARG A 32 -7.667 -1.732 -7.539 1.00 54.42 C ATOM 517 O ARG A 32 -8.372 -1.181 -8.396 1.00 33.03 O ATOM 518 CB ARG A 32 -9.151 -2.285 -5.565 1.00 25.10 C ATOM 519 CG ARG A 32 -8.950 -3.818 -5.588 1.00 24.00 C ATOM 520 CD ARG A 32 -10.258 -4.596 -5.368 1.00 20.33 C ATOM 521 NE ARG A 32 -11.202 -4.435 -6.487 1.00 0.42 N ATOM 522 CZ ARG A 32 -12.021 -5.391 -6.969 1.00 32.33 C ATOM 523 NH1 ARG A 32 -12.048 -6.617 -6.443 1.00 24.22 N ATOM 524 NH2 ARG A 32 -12.809 -5.104 -7.991 1.00 62.41 N ATOM 0 H ARG A 32 -9.118 0.242 -5.885 1.00 42.22 H new ATOM 0 HA ARG A 32 -7.053 -1.794 -5.468 1.00 72.31 H new ATOM 0 HB2 ARG A 32 -9.400 -1.978 -4.549 1.00 25.10 H new ATOM 0 HB3 ARG A 32 -10.005 -2.033 -6.193 1.00 25.10 H new ATOM 0 HG2 ARG A 32 -8.517 -4.108 -6.545 1.00 24.00 H new ATOM 0 HG3 ARG A 32 -8.233 -4.097 -4.816 1.00 24.00 H new ATOM 0 HD2 ARG A 32 -10.031 -5.654 -5.237 1.00 20.33 H new ATOM 0 HD3 ARG A 32 -10.730 -4.255 -4.446 1.00 20.33 H new ATOM 0 HE ARG A 32 -11.239 -3.520 -6.937 1.00 0.42 H new ATOM 0 HH11 ARG A 32 -11.440 -6.849 -5.658 1.00 24.22 H new ATOM 0 HH12 ARG A 32 -12.677 -7.323 -6.826 1.00 24.22 H new ATOM 0 HH21 ARG A 32 -12.791 -4.171 -8.402 1.00 62.41 H new ATOM 0 HH22 ARG A 32 -13.435 -5.816 -8.368 1.00 62.41 H new ATOM 538 N THR A 33 -6.660 -2.557 -7.835 1.00 32.20 N ATOM 539 CA THR A 33 -6.326 -2.996 -9.198 1.00 13.43 C ATOM 540 C THR A 33 -6.079 -4.516 -9.124 1.00 54.31 C ATOM 541 O THR A 33 -5.395 -4.962 -8.197 1.00 5.32 O ATOM 542 CB THR A 33 -5.060 -2.236 -9.751 1.00 45.33 C ATOM 543 OG1 THR A 33 -3.961 -2.356 -8.834 1.00 12.35 O ATOM 544 CG2 THR A 33 -5.325 -0.733 -10.001 1.00 60.44 C ATOM 0 H THR A 33 -6.041 -2.947 -7.124 1.00 32.20 H new ATOM 0 HA THR A 33 -7.139 -2.769 -9.888 1.00 13.43 H new ATOM 0 HB THR A 33 -4.819 -2.705 -10.705 1.00 45.33 H new ATOM 0 HG1 THR A 33 -4.195 -2.990 -8.125 1.00 12.35 H new ATOM 0 HG21 THR A 33 -4.418 -0.262 -10.381 1.00 60.44 H new ATOM 0 HG22 THR A 33 -6.126 -0.621 -10.732 1.00 60.44 H new ATOM 0 HG23 THR A 33 -5.618 -0.255 -9.066 1.00 60.44 H new ATOM 552 N ASN A 34 -6.673 -5.320 -10.033 1.00 0.51 N ATOM 553 CA ASN A 34 -6.530 -6.797 -9.995 1.00 50.52 C ATOM 554 C ASN A 34 -5.054 -7.229 -10.160 1.00 3.24 C ATOM 555 O ASN A 34 -4.502 -7.176 -11.272 1.00 63.41 O ATOM 556 CB ASN A 34 -7.390 -7.454 -11.115 1.00 4.20 C ATOM 557 CG ASN A 34 -8.910 -7.369 -10.917 1.00 54.33 C ATOM 558 OD1 ASN A 34 -9.438 -6.476 -10.252 1.00 30.22 O ATOM 559 ND2 ASN A 34 -9.637 -8.283 -11.535 1.00 65.03 N ATOM 0 H ASN A 34 -7.253 -4.976 -10.798 1.00 0.51 H new ATOM 0 HA ASN A 34 -6.880 -7.134 -9.019 1.00 50.52 H new ATOM 0 HB2 ASN A 34 -7.138 -6.984 -12.065 1.00 4.20 H new ATOM 0 HB3 ASN A 34 -7.110 -8.504 -11.195 1.00 4.20 H new ATOM 0 HD21 ASN A 34 -10.654 -8.257 -11.466 1.00 65.03 H new ATOM 0 HD22 ASN A 34 -9.181 -9.014 -12.081 1.00 65.03 H new ATOM 566 N GLY A 35 -4.433 -7.653 -9.050 1.00 12.45 N ATOM 567 CA GLY A 35 -3.041 -8.117 -9.043 1.00 31.33 C ATOM 568 C GLY A 35 -2.081 -7.157 -8.353 1.00 54.14 C ATOM 569 O GLY A 35 -0.921 -7.518 -8.108 1.00 30.42 O ATOM 0 H GLY A 35 -4.882 -7.683 -8.134 1.00 12.45 H new ATOM 0 HA2 GLY A 35 -2.992 -9.086 -8.546 1.00 31.33 H new ATOM 0 HA3 GLY A 35 -2.713 -8.269 -10.071 1.00 31.33 H new ATOM 573 N ASP A 36 -2.539 -5.925 -8.057 1.00 74.12 N ATOM 574 CA ASP A 36 -1.691 -4.891 -7.429 1.00 63.31 C ATOM 575 C ASP A 36 -2.490 -4.031 -6.428 1.00 61.35 C ATOM 576 O ASP A 36 -3.718 -4.117 -6.338 1.00 62.15 O ATOM 577 CB ASP A 36 -1.069 -3.963 -8.511 1.00 34.15 C ATOM 578 CG ASP A 36 -0.131 -4.669 -9.503 1.00 23.34 C ATOM 579 OD1 ASP A 36 1.010 -4.996 -9.134 1.00 3.11 O ATOM 580 OD2 ASP A 36 -0.518 -4.883 -10.668 1.00 62.20 O ATOM 0 H ASP A 36 -3.494 -5.620 -8.243 1.00 74.12 H new ATOM 0 HA ASP A 36 -0.899 -5.411 -6.889 1.00 63.31 H new ATOM 0 HB2 ASP A 36 -1.876 -3.489 -9.070 1.00 34.15 H new ATOM 0 HB3 ASP A 36 -0.515 -3.167 -8.013 1.00 34.15 H new ATOM 585 N ILE A 37 -1.757 -3.199 -5.681 1.00 73.55 N ATOM 586 CA ILE A 37 -2.316 -2.155 -4.817 1.00 11.30 C ATOM 587 C ILE A 37 -1.896 -0.793 -5.366 1.00 51.11 C ATOM 588 O ILE A 37 -0.700 -0.500 -5.459 1.00 11.33 O ATOM 589 CB ILE A 37 -1.817 -2.312 -3.325 1.00 3.30 C ATOM 590 CG1 ILE A 37 -2.357 -3.637 -2.707 1.00 22.24 C ATOM 591 CG2 ILE A 37 -2.210 -1.090 -2.442 1.00 60.23 C ATOM 592 CD1 ILE A 37 -3.876 -3.709 -2.589 1.00 62.31 C ATOM 0 H ILE A 37 -0.738 -3.233 -5.660 1.00 73.55 H new ATOM 0 HA ILE A 37 -3.402 -2.245 -4.811 1.00 11.30 H new ATOM 0 HB ILE A 37 -0.728 -2.352 -3.348 1.00 3.30 H new ATOM 0 HG12 ILE A 37 -2.013 -4.473 -3.316 1.00 22.24 H new ATOM 0 HG13 ILE A 37 -1.922 -3.764 -1.716 1.00 22.24 H new ATOM 0 HG21 ILE A 37 -1.846 -1.243 -1.426 1.00 60.23 H new ATOM 0 HG22 ILE A 37 -1.764 -0.185 -2.854 1.00 60.23 H new ATOM 0 HG23 ILE A 37 -3.295 -0.986 -2.427 1.00 60.23 H new ATOM 0 HD11 ILE A 37 -4.162 -4.664 -2.149 1.00 62.31 H new ATOM 0 HD12 ILE A 37 -4.231 -2.897 -1.954 1.00 62.31 H new ATOM 0 HD13 ILE A 37 -4.323 -3.617 -3.579 1.00 62.31 H new ATOM 604 N LYS A 38 -2.878 0.013 -5.772 1.00 73.30 N ATOM 605 CA LYS A 38 -2.655 1.407 -6.153 1.00 22.50 C ATOM 606 C LYS A 38 -2.960 2.285 -4.928 1.00 33.40 C ATOM 607 O LYS A 38 -4.053 2.211 -4.363 1.00 71.25 O ATOM 608 CB LYS A 38 -3.557 1.785 -7.357 1.00 54.20 C ATOM 609 CG LYS A 38 -3.397 3.239 -7.863 1.00 0.14 C ATOM 610 CD LYS A 38 -1.981 3.550 -8.403 1.00 23.23 C ATOM 611 CE LYS A 38 -1.586 2.669 -9.600 1.00 14.14 C ATOM 612 NZ LYS A 38 -0.247 3.030 -10.137 1.00 4.21 N ATOM 0 H LYS A 38 -3.851 -0.283 -5.846 1.00 73.30 H new ATOM 0 HA LYS A 38 -1.622 1.561 -6.464 1.00 22.50 H new ATOM 0 HB2 LYS A 38 -3.342 1.104 -8.181 1.00 54.20 H new ATOM 0 HB3 LYS A 38 -4.598 1.627 -7.076 1.00 54.20 H new ATOM 0 HG2 LYS A 38 -4.127 3.424 -8.651 1.00 0.14 H new ATOM 0 HG3 LYS A 38 -3.626 3.926 -7.049 1.00 0.14 H new ATOM 0 HD2 LYS A 38 -1.933 4.598 -8.699 1.00 23.23 H new ATOM 0 HD3 LYS A 38 -1.255 3.412 -7.602 1.00 23.23 H new ATOM 0 HE2 LYS A 38 -1.585 1.622 -9.296 1.00 14.14 H new ATOM 0 HE3 LYS A 38 -2.332 2.771 -10.388 1.00 14.14 H new ATOM 0 HZ1 LYS A 38 -0.163 2.690 -11.116 1.00 4.21 H new ATOM 0 HZ2 LYS A 38 -0.133 4.064 -10.118 1.00 4.21 H new ATOM 0 HZ3 LYS A 38 0.492 2.589 -9.553 1.00 4.21 H new ATOM 626 N LEU A 39 -1.976 3.077 -4.503 1.00 32.14 N ATOM 627 CA LEU A 39 -2.109 3.969 -3.345 1.00 52.55 C ATOM 628 C LEU A 39 -1.627 5.368 -3.735 1.00 34.24 C ATOM 629 O LEU A 39 -0.589 5.517 -4.386 1.00 34.21 O ATOM 630 CB LEU A 39 -1.311 3.416 -2.132 1.00 71.21 C ATOM 631 CG LEU A 39 -1.336 4.293 -0.835 1.00 31.11 C ATOM 632 CD1 LEU A 39 -2.777 4.606 -0.376 1.00 0.45 C ATOM 633 CD2 LEU A 39 -0.529 3.620 0.286 1.00 5.23 C ATOM 0 H LEU A 39 -1.061 3.120 -4.951 1.00 32.14 H new ATOM 0 HA LEU A 39 -3.156 4.025 -3.045 1.00 52.55 H new ATOM 0 HB2 LEU A 39 -1.701 2.428 -1.886 1.00 71.21 H new ATOM 0 HB3 LEU A 39 -0.273 3.282 -2.436 1.00 71.21 H new ATOM 0 HG LEU A 39 -0.866 5.247 -1.073 1.00 31.11 H new ATOM 0 HD11 LEU A 39 -2.747 5.216 0.527 1.00 0.45 H new ATOM 0 HD12 LEU A 39 -3.300 5.149 -1.164 1.00 0.45 H new ATOM 0 HD13 LEU A 39 -3.303 3.674 -0.167 1.00 0.45 H new ATOM 0 HD21 LEU A 39 -0.557 4.244 1.180 1.00 5.23 H new ATOM 0 HD22 LEU A 39 -0.961 2.645 0.510 1.00 5.23 H new ATOM 0 HD23 LEU A 39 0.505 3.494 -0.035 1.00 5.23 H new ATOM 645 N ASP A 40 -2.419 6.378 -3.370 1.00 50.04 N ATOM 646 CA ASP A 40 -2.083 7.789 -3.564 1.00 41.35 C ATOM 647 C ASP A 40 -1.735 8.409 -2.203 1.00 25.01 C ATOM 648 O ASP A 40 -2.617 8.594 -1.349 1.00 11.34 O ATOM 649 CB ASP A 40 -3.267 8.532 -4.228 1.00 41.44 C ATOM 650 CG ASP A 40 -2.989 10.028 -4.458 1.00 64.13 C ATOM 651 OD1 ASP A 40 -2.273 10.363 -5.422 1.00 65.15 O ATOM 652 OD2 ASP A 40 -3.491 10.878 -3.689 1.00 53.44 O ATOM 0 H ASP A 40 -3.326 6.236 -2.925 1.00 50.04 H new ATOM 0 HA ASP A 40 -1.221 7.879 -4.226 1.00 41.35 H new ATOM 0 HB2 ASP A 40 -3.494 8.060 -5.184 1.00 41.44 H new ATOM 0 HB3 ASP A 40 -4.152 8.425 -3.601 1.00 41.44 H new ATOM 657 N ALA A 41 -0.436 8.653 -1.990 1.00 1.34 N ATOM 658 CA ALA A 41 0.070 9.361 -0.805 1.00 64.43 C ATOM 659 C ALA A 41 0.038 10.870 -1.055 1.00 54.11 C ATOM 660 O ALA A 41 0.234 11.325 -2.193 1.00 43.30 O ATOM 661 CB ALA A 41 1.489 8.897 -0.471 1.00 33.32 C ATOM 0 H ALA A 41 0.298 8.364 -2.637 1.00 1.34 H new ATOM 0 HA ALA A 41 -0.569 9.132 0.048 1.00 64.43 H new ATOM 0 HB1 ALA A 41 1.849 9.431 0.409 1.00 33.32 H new ATOM 0 HB2 ALA A 41 1.483 7.826 -0.268 1.00 33.32 H new ATOM 0 HB3 ALA A 41 2.147 9.103 -1.315 1.00 33.32 H new ATOM 667 N GLN A 42 -0.212 11.641 0.013 1.00 44.32 N ATOM 668 CA GLN A 42 -0.301 13.105 -0.075 1.00 24.14 C ATOM 669 C GLN A 42 1.103 13.723 -0.227 1.00 73.33 C ATOM 670 O GLN A 42 1.342 14.506 -1.149 1.00 50.31 O ATOM 671 CB GLN A 42 -1.042 13.674 1.158 1.00 72.53 C ATOM 672 CG GLN A 42 -1.342 15.189 1.123 1.00 34.13 C ATOM 673 CD GLN A 42 -2.239 15.616 -0.040 1.00 71.00 C ATOM 674 OE1 GLN A 42 -1.767 16.016 -1.108 1.00 32.42 O ATOM 675 NE2 GLN A 42 -3.537 15.487 0.137 1.00 13.41 N ATOM 0 H GLN A 42 -0.357 11.272 0.953 1.00 44.32 H new ATOM 0 HA GLN A 42 -0.877 13.371 -0.962 1.00 24.14 H new ATOM 0 HB2 GLN A 42 -1.985 13.139 1.270 1.00 72.53 H new ATOM 0 HB3 GLN A 42 -0.447 13.461 2.046 1.00 72.53 H new ATOM 0 HG2 GLN A 42 -1.817 15.477 2.061 1.00 34.13 H new ATOM 0 HG3 GLN A 42 -0.400 15.735 1.062 1.00 34.13 H new ATOM 0 HE21 GLN A 42 -3.899 15.154 1.030 1.00 13.41 H new ATOM 0 HE22 GLN A 42 -4.180 15.720 -0.619 1.00 13.41 H new ATOM 684 N THR A 43 2.035 13.333 0.664 1.00 44.32 N ATOM 685 CA THR A 43 3.438 13.818 0.649 1.00 35.15 C ATOM 686 C THR A 43 4.436 12.638 0.637 1.00 44.22 C ATOM 687 O THR A 43 4.056 11.484 0.887 1.00 22.51 O ATOM 688 CB THR A 43 3.717 14.790 1.858 1.00 12.41 C ATOM 689 OG1 THR A 43 5.077 15.253 1.837 1.00 71.33 O ATOM 690 CG2 THR A 43 3.423 14.158 3.223 1.00 41.43 C ATOM 0 H THR A 43 1.841 12.673 1.417 1.00 44.32 H new ATOM 0 HA THR A 43 3.584 14.384 -0.271 1.00 35.15 H new ATOM 0 HB THR A 43 3.032 15.628 1.729 1.00 12.41 H new ATOM 0 HG1 THR A 43 5.229 15.856 2.594 1.00 71.33 H new ATOM 0 HG21 THR A 43 3.636 14.880 4.012 1.00 41.43 H new ATOM 0 HG22 THR A 43 2.374 13.867 3.271 1.00 41.43 H new ATOM 0 HG23 THR A 43 4.050 13.277 3.359 1.00 41.43 H new ATOM 698 N GLU A 44 5.707 12.976 0.355 1.00 23.31 N ATOM 699 CA GLU A 44 6.803 12.024 0.125 1.00 45.10 C ATOM 700 C GLU A 44 7.159 11.285 1.417 1.00 31.51 C ATOM 701 O GLU A 44 7.228 10.062 1.436 1.00 20.54 O ATOM 702 CB GLU A 44 8.060 12.762 -0.425 1.00 63.30 C ATOM 703 CG GLU A 44 7.921 13.365 -1.849 1.00 74.23 C ATOM 704 CD GLU A 44 6.827 14.440 -1.999 1.00 52.42 C ATOM 705 OE1 GLU A 44 6.791 15.397 -1.189 1.00 22.53 O ATOM 706 OE2 GLU A 44 5.992 14.340 -2.918 1.00 64.42 O ATOM 0 H GLU A 44 6.006 13.948 0.279 1.00 23.31 H new ATOM 0 HA GLU A 44 6.468 11.296 -0.614 1.00 45.10 H new ATOM 0 HB2 GLU A 44 8.317 13.565 0.265 1.00 63.30 H new ATOM 0 HB3 GLU A 44 8.896 12.063 -0.427 1.00 63.30 H new ATOM 0 HG2 GLU A 44 8.878 13.800 -2.138 1.00 74.23 H new ATOM 0 HG3 GLU A 44 7.713 12.557 -2.550 1.00 74.23 H new ATOM 713 N LYS A 45 7.344 12.058 2.506 1.00 5.02 N ATOM 714 CA LYS A 45 7.772 11.518 3.816 1.00 13.02 C ATOM 715 C LYS A 45 6.668 10.652 4.463 1.00 24.51 C ATOM 716 O LYS A 45 6.959 9.796 5.299 1.00 74.42 O ATOM 717 CB LYS A 45 8.200 12.656 4.775 1.00 54.45 C ATOM 718 CG LYS A 45 9.289 13.590 4.207 1.00 23.45 C ATOM 719 CD LYS A 45 9.728 14.669 5.225 1.00 23.43 C ATOM 720 CE LYS A 45 10.706 15.688 4.625 1.00 13.31 C ATOM 721 NZ LYS A 45 11.135 16.699 5.628 1.00 12.51 N ATOM 0 H LYS A 45 7.202 13.068 2.505 1.00 5.02 H new ATOM 0 HA LYS A 45 8.635 10.878 3.634 1.00 13.02 H new ATOM 0 HB2 LYS A 45 7.323 13.252 5.027 1.00 54.45 H new ATOM 0 HB3 LYS A 45 8.564 12.215 5.703 1.00 54.45 H new ATOM 0 HG2 LYS A 45 10.155 12.997 3.913 1.00 23.45 H new ATOM 0 HG3 LYS A 45 8.914 14.075 3.306 1.00 23.45 H new ATOM 0 HD2 LYS A 45 8.847 15.192 5.596 1.00 23.43 H new ATOM 0 HD3 LYS A 45 10.195 14.185 6.082 1.00 23.43 H new ATOM 0 HE2 LYS A 45 11.581 15.167 4.237 1.00 13.31 H new ATOM 0 HE3 LYS A 45 10.234 16.191 3.781 1.00 13.31 H new ATOM 0 HZ1 LYS A 45 11.795 17.369 5.185 1.00 12.51 H new ATOM 0 HZ2 LYS A 45 10.303 17.214 5.980 1.00 12.51 H new ATOM 0 HZ3 LYS A 45 11.608 16.222 6.422 1.00 12.51 H new ATOM 735 N GLU A 46 5.412 10.880 4.044 1.00 3.33 N ATOM 736 CA GLU A 46 4.260 10.056 4.445 1.00 24.11 C ATOM 737 C GLU A 46 4.250 8.758 3.618 1.00 23.23 C ATOM 738 O GLU A 46 3.908 7.703 4.135 1.00 52.43 O ATOM 739 CB GLU A 46 2.951 10.859 4.245 1.00 11.10 C ATOM 740 CG GLU A 46 1.651 10.120 4.605 1.00 12.23 C ATOM 741 CD GLU A 46 0.401 10.989 4.393 1.00 70.13 C ATOM 742 OE1 GLU A 46 0.139 11.383 3.238 1.00 72.44 O ATOM 743 OE2 GLU A 46 -0.321 11.285 5.376 1.00 4.32 O ATOM 0 H GLU A 46 5.167 11.644 3.415 1.00 3.33 H new ATOM 0 HA GLU A 46 4.338 9.792 5.500 1.00 24.11 H new ATOM 0 HB2 GLU A 46 3.009 11.767 4.845 1.00 11.10 H new ATOM 0 HB3 GLU A 46 2.893 11.170 3.202 1.00 11.10 H new ATOM 0 HG2 GLU A 46 1.570 9.218 3.998 1.00 12.23 H new ATOM 0 HG3 GLU A 46 1.695 9.801 5.646 1.00 12.23 H new ATOM 750 N ALA A 47 4.681 8.862 2.345 1.00 70.23 N ATOM 751 CA ALA A 47 4.768 7.715 1.421 1.00 21.51 C ATOM 752 C ALA A 47 5.865 6.722 1.833 1.00 62.05 C ATOM 753 O ALA A 47 5.738 5.524 1.575 1.00 42.10 O ATOM 754 CB ALA A 47 5.009 8.208 -0.005 1.00 55.40 C ATOM 0 H ALA A 47 4.979 9.744 1.929 1.00 70.23 H new ATOM 0 HA ALA A 47 3.817 7.184 1.466 1.00 21.51 H new ATOM 0 HB1 ALA A 47 5.072 7.354 -0.679 1.00 55.40 H new ATOM 0 HB2 ALA A 47 4.185 8.853 -0.311 1.00 55.40 H new ATOM 0 HB3 ALA A 47 5.942 8.770 -0.043 1.00 55.40 H new ATOM 760 N GLU A 48 6.937 7.242 2.468 1.00 32.30 N ATOM 761 CA GLU A 48 8.028 6.411 3.015 1.00 13.11 C ATOM 762 C GLU A 48 7.490 5.486 4.143 1.00 24.13 C ATOM 763 O GLU A 48 8.007 4.391 4.367 1.00 4.52 O ATOM 764 CB GLU A 48 9.181 7.288 3.593 1.00 40.54 C ATOM 765 CG GLU A 48 9.667 8.471 2.718 1.00 24.42 C ATOM 766 CD GLU A 48 10.198 8.085 1.327 1.00 44.20 C ATOM 767 OE1 GLU A 48 11.262 7.441 1.242 1.00 4.14 O ATOM 768 OE2 GLU A 48 9.576 8.451 0.305 1.00 65.11 O ATOM 0 H GLU A 48 7.069 8.243 2.615 1.00 32.30 H new ATOM 0 HA GLU A 48 8.419 5.811 2.194 1.00 13.11 H new ATOM 0 HB2 GLU A 48 8.855 7.688 4.553 1.00 40.54 H new ATOM 0 HB3 GLU A 48 10.034 6.639 3.791 1.00 40.54 H new ATOM 0 HG2 GLU A 48 8.841 9.171 2.592 1.00 24.42 H new ATOM 0 HG3 GLU A 48 10.454 9.000 3.255 1.00 24.42 H new ATOM 775 N LYS A 49 6.472 5.979 4.869 1.00 51.13 N ATOM 776 CA LYS A 49 5.841 5.257 5.990 1.00 62.15 C ATOM 777 C LYS A 49 4.712 4.333 5.485 1.00 71.01 C ATOM 778 O LYS A 49 4.513 3.246 6.018 1.00 64.34 O ATOM 779 CB LYS A 49 5.283 6.273 7.019 1.00 51.12 C ATOM 780 CG LYS A 49 6.343 7.238 7.593 1.00 11.25 C ATOM 781 CD LYS A 49 5.766 8.184 8.673 1.00 5.44 C ATOM 782 CE LYS A 49 6.792 9.214 9.176 1.00 35.31 C ATOM 783 NZ LYS A 49 7.205 10.160 8.104 1.00 0.20 N ATOM 0 H LYS A 49 6.060 6.896 4.694 1.00 51.13 H new ATOM 0 HA LYS A 49 6.596 4.635 6.471 1.00 62.15 H new ATOM 0 HB2 LYS A 49 4.494 6.857 6.545 1.00 51.12 H new ATOM 0 HB3 LYS A 49 4.823 5.725 7.841 1.00 51.12 H new ATOM 0 HG2 LYS A 49 7.161 6.659 8.022 1.00 11.25 H new ATOM 0 HG3 LYS A 49 6.764 7.833 6.782 1.00 11.25 H new ATOM 0 HD2 LYS A 49 4.902 8.709 8.265 1.00 5.44 H new ATOM 0 HD3 LYS A 49 5.411 7.591 9.516 1.00 5.44 H new ATOM 0 HE2 LYS A 49 6.365 9.774 10.008 1.00 35.31 H new ATOM 0 HE3 LYS A 49 7.670 8.694 9.558 1.00 35.31 H new ATOM 0 HZ1 LYS A 49 8.239 10.135 7.998 1.00 0.20 H new ATOM 0 HZ2 LYS A 49 6.758 9.884 7.206 1.00 0.20 H new ATOM 0 HZ3 LYS A 49 6.906 11.123 8.357 1.00 0.20 H new ATOM 797 N MET A 50 3.898 4.877 4.554 1.00 11.55 N ATOM 798 CA MET A 50 2.864 4.108 3.816 1.00 3.13 C ATOM 799 C MET A 50 3.421 2.794 3.246 1.00 73.04 C ATOM 800 O MET A 50 2.830 1.724 3.465 1.00 72.12 O ATOM 801 CB MET A 50 2.191 4.953 2.699 1.00 12.44 C ATOM 802 CG MET A 50 1.214 6.018 3.201 1.00 43.23 C ATOM 803 SD MET A 50 0.351 6.818 1.838 1.00 54.24 S ATOM 804 CE MET A 50 -0.730 7.942 2.704 1.00 10.44 C ATOM 0 H MET A 50 3.937 5.862 4.291 1.00 11.55 H new ATOM 0 HA MET A 50 2.095 3.854 4.545 1.00 3.13 H new ATOM 0 HB2 MET A 50 2.970 5.442 2.113 1.00 12.44 H new ATOM 0 HB3 MET A 50 1.659 4.281 2.025 1.00 12.44 H new ATOM 0 HG2 MET A 50 0.489 5.560 3.873 1.00 43.23 H new ATOM 0 HG3 MET A 50 1.756 6.767 3.779 1.00 43.23 H new ATOM 0 HE1 MET A 50 -1.687 8.000 2.185 1.00 10.44 H new ATOM 0 HE2 MET A 50 -0.890 7.582 3.720 1.00 10.44 H new ATOM 0 HE3 MET A 50 -0.275 8.932 2.737 1.00 10.44 H new ATOM 814 N GLU A 51 4.563 2.867 2.533 1.00 64.23 N ATOM 815 CA GLU A 51 5.230 1.659 2.009 1.00 13.10 C ATOM 816 C GLU A 51 5.768 0.769 3.156 1.00 31.10 C ATOM 817 O GLU A 51 5.854 -0.441 3.001 1.00 51.04 O ATOM 818 CB GLU A 51 6.376 1.999 1.025 1.00 5.01 C ATOM 819 CG GLU A 51 7.593 2.725 1.648 1.00 64.10 C ATOM 820 CD GLU A 51 8.908 2.568 0.871 1.00 14.03 C ATOM 821 OE1 GLU A 51 8.871 2.400 -0.362 1.00 11.32 O ATOM 822 OE2 GLU A 51 9.991 2.595 1.504 1.00 72.42 O ATOM 0 H GLU A 51 5.039 3.741 2.309 1.00 64.23 H new ATOM 0 HA GLU A 51 4.470 1.105 1.459 1.00 13.10 H new ATOM 0 HB2 GLU A 51 6.723 1.074 0.565 1.00 5.01 H new ATOM 0 HB3 GLU A 51 5.973 2.621 0.226 1.00 5.01 H new ATOM 0 HG2 GLU A 51 7.361 3.787 1.730 1.00 64.10 H new ATOM 0 HG3 GLU A 51 7.740 2.352 2.662 1.00 64.10 H new ATOM 829 N LYS A 52 6.120 1.387 4.300 1.00 64.21 N ATOM 830 CA LYS A 52 6.583 0.658 5.502 1.00 45.53 C ATOM 831 C LYS A 52 5.415 -0.119 6.158 1.00 25.54 C ATOM 832 O LYS A 52 5.618 -1.212 6.694 1.00 12.32 O ATOM 833 CB LYS A 52 7.240 1.645 6.506 1.00 73.42 C ATOM 834 CG LYS A 52 7.777 0.994 7.800 1.00 5.43 C ATOM 835 CD LYS A 52 8.923 -0.016 7.544 1.00 35.40 C ATOM 836 CE LYS A 52 9.302 -0.801 8.812 1.00 73.12 C ATOM 837 NZ LYS A 52 9.683 0.082 9.944 1.00 64.30 N ATOM 0 H LYS A 52 6.093 2.400 4.419 1.00 64.21 H new ATOM 0 HA LYS A 52 7.334 -0.072 5.201 1.00 45.53 H new ATOM 0 HB2 LYS A 52 8.062 2.156 6.005 1.00 73.42 H new ATOM 0 HB3 LYS A 52 6.508 2.407 6.776 1.00 73.42 H new ATOM 0 HG2 LYS A 52 8.133 1.775 8.471 1.00 5.43 H new ATOM 0 HG3 LYS A 52 6.959 0.484 8.309 1.00 5.43 H new ATOM 0 HD2 LYS A 52 8.621 -0.714 6.763 1.00 35.40 H new ATOM 0 HD3 LYS A 52 9.799 0.517 7.174 1.00 35.40 H new ATOM 0 HE2 LYS A 52 8.461 -1.426 9.112 1.00 73.12 H new ATOM 0 HE3 LYS A 52 10.131 -1.471 8.585 1.00 73.12 H new ATOM 0 HZ1 LYS A 52 10.009 -0.499 10.743 1.00 64.30 H new ATOM 0 HZ2 LYS A 52 10.448 0.720 9.645 1.00 64.30 H new ATOM 0 HZ3 LYS A 52 8.859 0.644 10.238 1.00 64.30 H new ATOM 851 N ALA A 53 4.194 0.450 6.086 1.00 75.04 N ATOM 852 CA ALA A 53 2.962 -0.230 6.533 1.00 61.31 C ATOM 853 C ALA A 53 2.660 -1.461 5.663 1.00 3.11 C ATOM 854 O ALA A 53 2.124 -2.462 6.148 1.00 42.45 O ATOM 855 CB ALA A 53 1.777 0.740 6.537 1.00 43.40 C ATOM 0 H ALA A 53 4.035 1.388 5.719 1.00 75.04 H new ATOM 0 HA ALA A 53 3.122 -0.576 7.554 1.00 61.31 H new ATOM 0 HB1 ALA A 53 0.880 0.217 6.870 1.00 43.40 H new ATOM 0 HB2 ALA A 53 1.987 1.568 7.214 1.00 43.40 H new ATOM 0 HB3 ALA A 53 1.619 1.126 5.530 1.00 43.40 H new ATOM 861 N VAL A 54 3.045 -1.366 4.380 1.00 4.25 N ATOM 862 CA VAL A 54 3.007 -2.500 3.449 1.00 11.22 C ATOM 863 C VAL A 54 4.089 -3.537 3.872 1.00 63.22 C ATOM 864 O VAL A 54 3.820 -4.737 3.916 1.00 20.33 O ATOM 865 CB VAL A 54 3.256 -2.034 1.969 1.00 72.23 C ATOM 866 CG1 VAL A 54 3.173 -3.205 0.972 1.00 61.15 C ATOM 867 CG2 VAL A 54 2.297 -0.889 1.566 1.00 35.03 C ATOM 0 H VAL A 54 3.390 -0.502 3.962 1.00 4.25 H new ATOM 0 HA VAL A 54 2.017 -2.954 3.489 1.00 11.22 H new ATOM 0 HB VAL A 54 4.274 -1.647 1.927 1.00 72.23 H new ATOM 0 HG11 VAL A 54 3.351 -2.836 -0.038 1.00 61.15 H new ATOM 0 HG12 VAL A 54 3.926 -3.952 1.224 1.00 61.15 H new ATOM 0 HG13 VAL A 54 2.183 -3.657 1.023 1.00 61.15 H new ATOM 0 HG21 VAL A 54 2.497 -0.592 0.537 1.00 35.03 H new ATOM 0 HG22 VAL A 54 1.266 -1.231 1.651 1.00 35.03 H new ATOM 0 HG23 VAL A 54 2.451 -0.036 2.226 1.00 35.03 H new ATOM 877 N LYS A 55 5.285 -3.023 4.251 1.00 21.52 N ATOM 878 CA LYS A 55 6.460 -3.849 4.648 1.00 44.12 C ATOM 879 C LYS A 55 6.228 -4.623 5.959 1.00 24.51 C ATOM 880 O LYS A 55 6.927 -5.611 6.217 1.00 62.52 O ATOM 881 CB LYS A 55 7.748 -2.980 4.745 1.00 64.33 C ATOM 882 CG LYS A 55 8.257 -2.463 3.383 1.00 31.52 C ATOM 883 CD LYS A 55 9.430 -1.458 3.502 1.00 41.20 C ATOM 884 CE LYS A 55 9.938 -0.991 2.125 1.00 22.33 C ATOM 885 NZ LYS A 55 11.097 -0.067 2.232 1.00 72.33 N ATOM 0 H LYS A 55 5.466 -2.020 4.291 1.00 21.52 H new ATOM 0 HA LYS A 55 6.596 -4.591 3.861 1.00 44.12 H new ATOM 0 HB2 LYS A 55 7.552 -2.128 5.396 1.00 64.33 H new ATOM 0 HB3 LYS A 55 8.536 -3.567 5.217 1.00 64.33 H new ATOM 0 HG2 LYS A 55 8.576 -3.311 2.778 1.00 31.52 H new ATOM 0 HG3 LYS A 55 7.432 -1.986 2.853 1.00 31.52 H new ATOM 0 HD2 LYS A 55 9.107 -0.593 4.081 1.00 41.20 H new ATOM 0 HD3 LYS A 55 10.249 -1.922 4.051 1.00 41.20 H new ATOM 0 HE2 LYS A 55 10.223 -1.860 1.532 1.00 22.33 H new ATOM 0 HE3 LYS A 55 9.128 -0.493 1.592 1.00 22.33 H new ATOM 0 HZ1 LYS A 55 10.792 0.901 2.003 1.00 72.33 H new ATOM 0 HZ2 LYS A 55 11.472 -0.092 3.202 1.00 72.33 H new ATOM 0 HZ3 LYS A 55 11.839 -0.362 1.566 1.00 72.33 H new ATOM 899 N LYS A 56 5.259 -4.171 6.782 1.00 41.12 N ATOM 900 CA LYS A 56 4.814 -4.915 7.987 1.00 63.33 C ATOM 901 C LYS A 56 4.241 -6.295 7.570 1.00 60.11 C ATOM 902 O LYS A 56 4.495 -7.319 8.213 1.00 34.55 O ATOM 903 CB LYS A 56 3.736 -4.104 8.771 1.00 43.12 C ATOM 904 CG LYS A 56 4.209 -2.723 9.289 1.00 73.35 C ATOM 905 CD LYS A 56 3.070 -1.929 9.980 1.00 22.11 C ATOM 906 CE LYS A 56 3.467 -0.491 10.371 1.00 71.34 C ATOM 907 NZ LYS A 56 4.530 -0.453 11.403 1.00 50.13 N ATOM 0 H LYS A 56 4.765 -3.290 6.636 1.00 41.12 H new ATOM 0 HA LYS A 56 5.674 -5.064 8.640 1.00 63.33 H new ATOM 0 HB2 LYS A 56 2.871 -3.957 8.124 1.00 43.12 H new ATOM 0 HB3 LYS A 56 3.401 -4.699 9.620 1.00 43.12 H new ATOM 0 HG2 LYS A 56 5.029 -2.864 9.993 1.00 73.35 H new ATOM 0 HG3 LYS A 56 4.601 -2.140 8.455 1.00 73.35 H new ATOM 0 HD2 LYS A 56 2.209 -1.890 9.313 1.00 22.11 H new ATOM 0 HD3 LYS A 56 2.756 -2.466 10.875 1.00 22.11 H new ATOM 0 HE2 LYS A 56 3.809 0.042 9.483 1.00 71.34 H new ATOM 0 HE3 LYS A 56 2.588 0.037 10.741 1.00 71.34 H new ATOM 0 HZ1 LYS A 56 4.759 0.536 11.629 1.00 50.13 H new ATOM 0 HZ2 LYS A 56 4.198 -0.937 12.262 1.00 50.13 H new ATOM 0 HZ3 LYS A 56 5.380 -0.932 11.043 1.00 50.13 H new ATOM 921 N VAL A 57 3.489 -6.285 6.460 1.00 65.13 N ATOM 922 CA VAL A 57 2.872 -7.481 5.857 1.00 42.14 C ATOM 923 C VAL A 57 3.889 -8.258 4.983 1.00 4.41 C ATOM 924 O VAL A 57 3.830 -9.491 4.891 1.00 33.52 O ATOM 925 CB VAL A 57 1.629 -7.052 4.980 1.00 22.44 C ATOM 926 CG1 VAL A 57 1.015 -8.238 4.199 1.00 70.55 C ATOM 927 CG2 VAL A 57 0.560 -6.358 5.851 1.00 32.33 C ATOM 0 H VAL A 57 3.287 -5.429 5.944 1.00 65.13 H new ATOM 0 HA VAL A 57 2.545 -8.140 6.662 1.00 42.14 H new ATOM 0 HB VAL A 57 1.995 -6.342 4.238 1.00 22.44 H new ATOM 0 HG11 VAL A 57 0.165 -7.887 3.614 1.00 70.55 H new ATOM 0 HG12 VAL A 57 1.765 -8.661 3.531 1.00 70.55 H new ATOM 0 HG13 VAL A 57 0.681 -9.002 4.901 1.00 70.55 H new ATOM 0 HG21 VAL A 57 -0.287 -6.071 5.228 1.00 32.33 H new ATOM 0 HG22 VAL A 57 0.223 -7.044 6.628 1.00 32.33 H new ATOM 0 HG23 VAL A 57 0.988 -5.469 6.313 1.00 32.33 H new ATOM 937 N LYS A 58 4.851 -7.526 4.387 1.00 42.13 N ATOM 938 CA LYS A 58 5.747 -8.079 3.345 1.00 1.42 C ATOM 939 C LYS A 58 7.101 -7.311 3.298 1.00 25.13 C ATOM 940 O LYS A 58 7.200 -6.264 2.645 1.00 4.51 O ATOM 941 CB LYS A 58 5.018 -8.093 1.960 1.00 3.40 C ATOM 942 CG LYS A 58 4.165 -6.833 1.645 1.00 42.23 C ATOM 943 CD LYS A 58 3.486 -6.848 0.244 1.00 2.21 C ATOM 944 CE LYS A 58 2.843 -8.193 -0.108 1.00 15.23 C ATOM 945 NZ LYS A 58 1.996 -8.698 0.998 1.00 40.45 N ATOM 0 H LYS A 58 5.030 -6.547 4.609 1.00 42.13 H new ATOM 0 HA LYS A 58 5.989 -9.111 3.600 1.00 1.42 H new ATOM 0 HB2 LYS A 58 5.766 -8.210 1.176 1.00 3.40 H new ATOM 0 HB3 LYS A 58 4.371 -8.969 1.917 1.00 3.40 H new ATOM 0 HG2 LYS A 58 3.393 -6.732 2.408 1.00 42.23 H new ATOM 0 HG3 LYS A 58 4.802 -5.951 1.717 1.00 42.23 H new ATOM 0 HD2 LYS A 58 2.724 -6.070 0.210 1.00 2.21 H new ATOM 0 HD3 LYS A 58 4.229 -6.600 -0.514 1.00 2.21 H new ATOM 0 HE2 LYS A 58 2.239 -8.084 -1.009 1.00 15.23 H new ATOM 0 HE3 LYS A 58 3.622 -8.922 -0.333 1.00 15.23 H new ATOM 0 HZ1 LYS A 58 2.367 -9.611 1.330 1.00 40.45 H new ATOM 0 HZ2 LYS A 58 2.005 -8.015 1.782 1.00 40.45 H new ATOM 0 HZ3 LYS A 58 1.021 -8.823 0.659 1.00 40.45 H new ATOM 959 N PRO A 59 8.182 -7.842 3.971 1.00 31.12 N ATOM 960 CA PRO A 59 9.512 -7.166 4.038 1.00 21.45 C ATOM 961 C PRO A 59 10.383 -7.343 2.766 1.00 24.54 C ATOM 962 O PRO A 59 11.367 -6.617 2.582 1.00 42.02 O ATOM 963 CB PRO A 59 10.171 -7.849 5.266 1.00 24.22 C ATOM 964 CG PRO A 59 9.613 -9.241 5.266 1.00 35.13 C ATOM 965 CD PRO A 59 8.181 -9.113 4.763 1.00 45.24 C ATOM 0 HA PRO A 59 9.410 -6.084 4.117 1.00 21.45 H new ATOM 0 HB2 PRO A 59 11.258 -7.857 5.180 1.00 24.22 H new ATOM 0 HB3 PRO A 59 9.928 -7.324 6.190 1.00 24.22 H new ATOM 0 HG2 PRO A 59 10.197 -9.897 4.620 1.00 35.13 H new ATOM 0 HG3 PRO A 59 9.639 -9.673 6.266 1.00 35.13 H new ATOM 0 HD2 PRO A 59 7.898 -9.966 4.147 1.00 45.24 H new ATOM 0 HD3 PRO A 59 7.471 -9.067 5.589 1.00 45.24 H new ATOM 973 N ASN A 60 10.027 -8.305 1.891 1.00 65.52 N ATOM 974 CA ASN A 60 10.809 -8.625 0.669 1.00 34.43 C ATOM 975 C ASN A 60 10.079 -8.138 -0.602 1.00 41.12 C ATOM 976 O ASN A 60 10.551 -8.365 -1.719 1.00 34.43 O ATOM 977 CB ASN A 60 11.076 -10.157 0.593 1.00 60.31 C ATOM 978 CG ASN A 60 11.981 -10.660 1.728 1.00 32.11 C ATOM 979 OD1 ASN A 60 11.851 -10.265 2.893 1.00 34.11 O ATOM 980 ND2 ASN A 60 12.939 -11.498 1.393 1.00 40.22 N ATOM 0 H ASN A 60 9.194 -8.882 2.006 1.00 65.52 H new ATOM 0 HA ASN A 60 11.764 -8.102 0.726 1.00 34.43 H new ATOM 0 HB2 ASN A 60 10.125 -10.689 0.629 1.00 60.31 H new ATOM 0 HB3 ASN A 60 11.537 -10.394 -0.366 1.00 60.31 H new ATOM 0 HD21 ASN A 60 13.593 -11.835 2.100 1.00 40.22 H new ATOM 0 HD22 ASN A 60 13.028 -11.811 0.426 1.00 40.22 H new ATOM 987 N ALA A 61 8.935 -7.458 -0.409 1.00 15.30 N ATOM 988 CA ALA A 61 8.018 -7.058 -1.498 1.00 30.44 C ATOM 989 C ALA A 61 8.591 -5.989 -2.436 1.00 73.30 C ATOM 990 O ALA A 61 9.320 -5.094 -1.999 1.00 1.13 O ATOM 991 CB ALA A 61 6.731 -6.523 -0.892 1.00 54.22 C ATOM 0 H ALA A 61 8.616 -7.167 0.515 1.00 15.30 H new ATOM 0 HA ALA A 61 7.849 -7.952 -2.099 1.00 30.44 H new ATOM 0 HB1 ALA A 61 6.050 -6.226 -1.689 1.00 54.22 H new ATOM 0 HB2 ALA A 61 6.264 -7.299 -0.286 1.00 54.22 H new ATOM 0 HB3 ALA A 61 6.955 -5.660 -0.266 1.00 54.22 H new ATOM 997 N THR A 62 8.203 -6.084 -3.723 1.00 23.53 N ATOM 998 CA THR A 62 8.445 -5.039 -4.720 1.00 51.03 C ATOM 999 C THR A 62 7.391 -3.915 -4.561 1.00 33.04 C ATOM 1000 O THR A 62 6.215 -4.077 -4.928 1.00 54.41 O ATOM 1001 CB THR A 62 8.399 -5.626 -6.172 1.00 73.20 C ATOM 1002 OG1 THR A 62 9.278 -6.764 -6.267 1.00 3.53 O ATOM 1003 CG2 THR A 62 8.815 -4.581 -7.233 1.00 73.22 C ATOM 0 H THR A 62 7.710 -6.896 -4.096 1.00 23.53 H new ATOM 0 HA THR A 62 9.441 -4.626 -4.557 1.00 51.03 H new ATOM 0 HB THR A 62 7.369 -5.922 -6.370 1.00 73.20 H new ATOM 0 HG1 THR A 62 9.244 -7.128 -7.176 1.00 3.53 H new ATOM 0 HG21 THR A 62 8.769 -5.031 -8.225 1.00 73.22 H new ATOM 0 HG22 THR A 62 8.137 -3.728 -7.189 1.00 73.22 H new ATOM 0 HG23 THR A 62 9.833 -4.246 -7.034 1.00 73.22 H new ATOM 1011 N ILE A 63 7.832 -2.810 -3.951 1.00 1.52 N ATOM 1012 CA ILE A 63 7.050 -1.579 -3.792 1.00 52.24 C ATOM 1013 C ILE A 63 7.638 -0.527 -4.734 1.00 74.44 C ATOM 1014 O ILE A 63 8.815 -0.165 -4.608 1.00 21.32 O ATOM 1015 CB ILE A 63 7.085 -1.045 -2.312 1.00 3.24 C ATOM 1016 CG1 ILE A 63 6.522 -2.120 -1.330 1.00 25.12 C ATOM 1017 CG2 ILE A 63 6.303 0.294 -2.190 1.00 73.35 C ATOM 1018 CD1 ILE A 63 6.719 -1.800 0.130 1.00 24.45 C ATOM 0 H ILE A 63 8.765 -2.745 -3.544 1.00 1.52 H new ATOM 0 HA ILE A 63 6.007 -1.788 -4.032 1.00 52.24 H new ATOM 0 HB ILE A 63 8.122 -0.849 -2.039 1.00 3.24 H new ATOM 0 HG12 ILE A 63 5.456 -2.245 -1.521 1.00 25.12 H new ATOM 0 HG13 ILE A 63 6.998 -3.076 -1.547 1.00 25.12 H new ATOM 0 HG21 ILE A 63 6.340 0.645 -1.159 1.00 73.35 H new ATOM 0 HG22 ILE A 63 6.755 1.040 -2.844 1.00 73.35 H new ATOM 0 HG23 ILE A 63 5.265 0.137 -2.482 1.00 73.35 H new ATOM 0 HD11 ILE A 63 6.298 -2.601 0.738 1.00 24.45 H new ATOM 0 HD12 ILE A 63 7.784 -1.706 0.341 1.00 24.45 H new ATOM 0 HD13 ILE A 63 6.218 -0.862 0.368 1.00 24.45 H new ATOM 1030 N ARG A 64 6.815 -0.041 -5.662 1.00 14.15 N ATOM 1031 CA ARG A 64 7.238 0.938 -6.667 1.00 53.41 C ATOM 1032 C ARG A 64 6.788 2.331 -6.199 1.00 33.35 C ATOM 1033 O ARG A 64 5.614 2.683 -6.294 1.00 30.34 O ATOM 1034 CB ARG A 64 6.667 0.549 -8.056 1.00 3.21 C ATOM 1035 CG ARG A 64 7.150 -0.839 -8.545 1.00 32.30 C ATOM 1036 CD ARG A 64 6.681 -1.176 -9.965 1.00 60.34 C ATOM 1037 NE ARG A 64 7.187 -0.225 -10.974 1.00 64.13 N ATOM 1038 CZ ARG A 64 7.210 -0.444 -12.305 1.00 73.14 C ATOM 1039 NH1 ARG A 64 6.757 -1.588 -12.823 1.00 44.41 N ATOM 1040 NH2 ARG A 64 7.687 0.496 -13.117 1.00 62.13 N ATOM 0 H ARG A 64 5.835 -0.314 -5.740 1.00 14.15 H new ATOM 0 HA ARG A 64 8.322 0.952 -6.775 1.00 53.41 H new ATOM 0 HB2 ARG A 64 5.578 0.552 -8.008 1.00 3.21 H new ATOM 0 HB3 ARG A 64 6.956 1.305 -8.786 1.00 3.21 H new ATOM 0 HG2 ARG A 64 8.239 -0.870 -8.512 1.00 32.30 H new ATOM 0 HG3 ARG A 64 6.789 -1.605 -7.859 1.00 32.30 H new ATOM 0 HD2 ARG A 64 7.011 -2.182 -10.223 1.00 60.34 H new ATOM 0 HD3 ARG A 64 5.591 -1.181 -9.991 1.00 60.34 H new ATOM 0 HE ARG A 64 7.548 0.668 -10.639 1.00 64.13 H new ATOM 0 HH11 ARG A 64 6.386 -2.314 -12.210 1.00 44.41 H new ATOM 0 HH12 ARG A 64 6.782 -1.736 -13.832 1.00 44.41 H new ATOM 0 HH21 ARG A 64 8.032 1.375 -12.732 1.00 62.13 H new ATOM 0 HH22 ARG A 64 7.707 0.337 -14.124 1.00 62.13 H new ATOM 1054 N LYS A 65 7.753 3.079 -5.646 1.00 62.41 N ATOM 1055 CA LYS A 65 7.530 4.393 -5.031 1.00 70.14 C ATOM 1056 C LYS A 65 8.094 5.483 -5.948 1.00 1.33 C ATOM 1057 O LYS A 65 9.301 5.515 -6.217 1.00 2.03 O ATOM 1058 CB LYS A 65 8.192 4.444 -3.625 1.00 3.40 C ATOM 1059 CG LYS A 65 8.074 5.810 -2.892 1.00 75.24 C ATOM 1060 CD LYS A 65 8.522 5.738 -1.414 1.00 51.22 C ATOM 1061 CE LYS A 65 10.019 5.427 -1.258 1.00 20.03 C ATOM 1062 NZ LYS A 65 10.869 6.547 -1.737 1.00 1.12 N ATOM 0 H LYS A 65 8.728 2.781 -5.614 1.00 62.41 H new ATOM 0 HA LYS A 65 6.461 4.564 -4.903 1.00 70.14 H new ATOM 0 HB2 LYS A 65 7.741 3.673 -3.000 1.00 3.40 H new ATOM 0 HB3 LYS A 65 9.248 4.194 -3.728 1.00 3.40 H new ATOM 0 HG2 LYS A 65 8.679 6.551 -3.415 1.00 75.24 H new ATOM 0 HG3 LYS A 65 7.040 6.153 -2.937 1.00 75.24 H new ATOM 0 HD2 LYS A 65 8.300 6.687 -0.926 1.00 51.22 H new ATOM 0 HD3 LYS A 65 7.941 4.972 -0.900 1.00 51.22 H new ATOM 0 HE2 LYS A 65 10.241 5.225 -0.210 1.00 20.03 H new ATOM 0 HE3 LYS A 65 10.262 4.522 -1.815 1.00 20.03 H new ATOM 0 HZ1 LYS A 65 11.870 6.320 -1.568 1.00 1.12 H new ATOM 0 HZ2 LYS A 65 10.713 6.690 -2.755 1.00 1.12 H new ATOM 0 HZ3 LYS A 65 10.620 7.416 -1.223 1.00 1.12 H new ATOM 1076 N THR A 66 7.206 6.362 -6.427 1.00 0.43 N ATOM 1077 CA THR A 66 7.559 7.464 -7.330 1.00 10.13 C ATOM 1078 C THR A 66 6.488 8.565 -7.213 1.00 12.12 C ATOM 1079 O THR A 66 5.288 8.296 -7.333 1.00 22.34 O ATOM 1080 CB THR A 66 7.717 6.954 -8.812 1.00 52.33 C ATOM 1081 OG1 THR A 66 8.106 8.038 -9.675 1.00 1.35 O ATOM 1082 CG2 THR A 66 6.434 6.271 -9.349 1.00 41.13 C ATOM 0 H THR A 66 6.213 6.328 -6.197 1.00 0.43 H new ATOM 0 HA THR A 66 8.524 7.880 -7.042 1.00 10.13 H new ATOM 0 HB THR A 66 8.501 6.196 -8.806 1.00 52.33 H new ATOM 0 HG1 THR A 66 8.202 7.707 -10.592 1.00 1.35 H new ATOM 0 HG21 THR A 66 6.600 5.939 -10.374 1.00 41.13 H new ATOM 0 HG22 THR A 66 6.191 5.411 -8.724 1.00 41.13 H new ATOM 0 HG23 THR A 66 5.607 6.981 -9.327 1.00 41.13 H new ATOM 1090 N GLY A 67 6.930 9.799 -6.920 1.00 62.41 N ATOM 1091 CA GLY A 67 6.018 10.926 -6.715 1.00 15.53 C ATOM 1092 C GLY A 67 5.637 11.601 -8.022 1.00 65.31 C ATOM 1093 O GLY A 67 4.560 11.350 -8.570 1.00 31.13 O ATOM 0 H GLY A 67 7.917 10.037 -6.821 1.00 62.41 H new ATOM 0 HA2 GLY A 67 5.116 10.575 -6.213 1.00 15.53 H new ATOM 0 HA3 GLY A 67 6.487 11.655 -6.055 1.00 15.53 H new ATOM 1097 N GLY A 68 6.548 12.443 -8.523 1.00 2.33 N ATOM 1098 CA GLY A 68 6.355 13.171 -9.773 1.00 20.44 C ATOM 1099 C GLY A 68 7.265 14.392 -9.826 1.00 64.11 C ATOM 1100 O GLY A 68 7.186 15.241 -8.932 1.00 2.55 O ATOM 0 H GLY A 68 7.441 12.636 -8.069 1.00 2.33 H new ATOM 0 HA2 GLY A 68 6.566 12.516 -10.618 1.00 20.44 H new ATOM 0 HA3 GLY A 68 5.314 13.482 -9.863 1.00 20.44 H new ATOM 1104 N SER A 69 8.132 14.475 -10.859 1.00 63.52 N ATOM 1105 CA SER A 69 9.121 15.563 -11.019 1.00 32.43 C ATOM 1106 C SER A 69 8.440 16.941 -11.137 1.00 41.33 C ATOM 1107 O SER A 69 7.268 17.025 -11.532 1.00 51.31 O ATOM 1108 CB SER A 69 10.002 15.282 -12.262 1.00 54.41 C ATOM 1109 OG SER A 69 11.033 16.256 -12.412 1.00 35.20 O ATOM 0 H SER A 69 8.165 13.785 -11.609 1.00 63.52 H new ATOM 0 HA SER A 69 9.748 15.590 -10.128 1.00 32.43 H new ATOM 0 HB2 SER A 69 10.448 14.291 -12.175 1.00 54.41 H new ATOM 0 HB3 SER A 69 9.378 15.273 -13.155 1.00 54.41 H new ATOM 0 HG SER A 69 11.569 16.045 -13.205 1.00 35.20 H new ATOM 1115 N LEU A 70 9.185 18.015 -10.792 1.00 34.41 N ATOM 1116 CA LEU A 70 8.658 19.394 -10.782 1.00 30.04 C ATOM 1117 C LEU A 70 8.542 19.924 -12.229 1.00 63.33 C ATOM 1118 O LEU A 70 9.392 20.692 -12.699 1.00 21.44 O ATOM 1119 CB LEU A 70 9.532 20.349 -9.902 1.00 1.52 C ATOM 1120 CG LEU A 70 9.548 20.101 -8.348 1.00 62.04 C ATOM 1121 CD1 LEU A 70 10.227 18.766 -7.965 1.00 12.14 C ATOM 1122 CD2 LEU A 70 10.209 21.289 -7.611 1.00 50.10 C ATOM 0 H LEU A 70 10.164 17.949 -10.514 1.00 34.41 H new ATOM 0 HA LEU A 70 7.665 19.372 -10.332 1.00 30.04 H new ATOM 0 HB2 LEU A 70 10.559 20.290 -10.262 1.00 1.52 H new ATOM 0 HB3 LEU A 70 9.192 21.370 -10.075 1.00 1.52 H new ATOM 0 HG LEU A 70 8.509 20.025 -8.029 1.00 62.04 H new ATOM 0 HD11 LEU A 70 10.210 18.647 -6.882 1.00 12.14 H new ATOM 0 HD12 LEU A 70 9.691 17.939 -8.430 1.00 12.14 H new ATOM 0 HD13 LEU A 70 11.260 18.770 -8.313 1.00 12.14 H new ATOM 0 HD21 LEU A 70 10.209 21.097 -6.538 1.00 50.10 H new ATOM 0 HD22 LEU A 70 11.235 21.407 -7.959 1.00 50.10 H new ATOM 0 HD23 LEU A 70 9.649 22.201 -7.816 1.00 50.10 H new ATOM 1134 N GLU A 71 7.502 19.459 -12.933 1.00 14.54 N ATOM 1135 CA GLU A 71 7.169 19.908 -14.290 1.00 61.21 C ATOM 1136 C GLU A 71 6.448 21.268 -14.207 1.00 35.44 C ATOM 1137 O GLU A 71 5.842 21.572 -13.169 1.00 73.31 O ATOM 1138 CB GLU A 71 6.305 18.835 -15.011 1.00 73.15 C ATOM 1139 CG GLU A 71 6.001 19.103 -16.509 1.00 15.20 C ATOM 1140 CD GLU A 71 7.266 19.190 -17.386 1.00 63.54 C ATOM 1141 OE1 GLU A 71 7.759 18.143 -17.848 1.00 31.15 O ATOM 1142 OE2 GLU A 71 7.776 20.306 -17.618 1.00 61.40 O ATOM 0 H GLU A 71 6.861 18.752 -12.572 1.00 14.54 H new ATOM 0 HA GLU A 71 8.078 20.038 -14.877 1.00 61.21 H new ATOM 0 HB2 GLU A 71 6.812 17.874 -14.930 1.00 73.15 H new ATOM 0 HB3 GLU A 71 5.358 18.742 -14.479 1.00 73.15 H new ATOM 0 HG2 GLU A 71 5.359 18.309 -16.889 1.00 15.20 H new ATOM 0 HG3 GLU A 71 5.442 20.035 -16.597 1.00 15.20 H new ATOM 1149 N HIS A 72 6.490 22.045 -15.312 1.00 5.31 N ATOM 1150 CA HIS A 72 6.110 23.478 -15.364 1.00 53.12 C ATOM 1151 C HIS A 72 7.227 24.278 -14.669 1.00 22.31 C ATOM 1152 O HIS A 72 7.076 24.772 -13.545 1.00 0.31 O ATOM 1153 CB HIS A 72 4.690 23.794 -14.775 1.00 2.14 C ATOM 1154 CG HIS A 72 3.601 22.879 -15.290 1.00 41.21 C ATOM 1155 ND1 HIS A 72 2.952 21.959 -14.491 1.00 32.43 N ATOM 1156 CD2 HIS A 72 3.082 22.715 -16.530 1.00 32.34 C ATOM 1157 CE1 HIS A 72 2.095 21.274 -15.216 1.00 10.32 C ATOM 1158 NE2 HIS A 72 2.153 21.707 -16.456 1.00 64.22 N ATOM 0 H HIS A 72 6.797 21.686 -16.216 1.00 5.31 H new ATOM 0 HA HIS A 72 6.017 23.775 -16.409 1.00 53.12 H new ATOM 0 HB2 HIS A 72 4.732 23.719 -13.688 1.00 2.14 H new ATOM 0 HB3 HIS A 72 4.429 24.825 -15.013 1.00 2.14 H new ATOM 0 HD2 HIS A 72 3.350 23.274 -17.414 1.00 32.34 H new ATOM 0 HE1 HIS A 72 1.451 20.487 -14.853 1.00 10.32 H new ATOM 0 HE2 HIS A 72 1.599 21.352 -17.235 1.00 64.22 H new ATOM 1167 N HIS A 73 8.378 24.337 -15.358 1.00 23.33 N ATOM 1168 CA HIS A 73 9.637 24.869 -14.822 1.00 24.42 C ATOM 1169 C HIS A 73 10.431 25.547 -15.944 1.00 42.55 C ATOM 1170 O HIS A 73 10.476 25.047 -17.073 1.00 22.53 O ATOM 1171 CB HIS A 73 10.486 23.727 -14.181 1.00 73.44 C ATOM 1172 CG HIS A 73 10.841 22.588 -15.122 1.00 74.34 C ATOM 1173 ND1 HIS A 73 10.065 21.633 -15.692 1.00 35.22 N flip ATOM 1174 CD2 HIS A 73 12.125 22.313 -15.555 1.00 11.44 C flip ATOM 1175 CE1 HIS A 73 10.874 20.822 -16.438 1.00 33.55 C flip ATOM 1176 NE2 HIS A 73 12.108 21.250 -16.340 1.00 43.24 N flip ATOM 0 H HIS A 73 8.459 24.010 -16.321 1.00 23.33 H new ATOM 0 HA HIS A 73 9.407 25.603 -14.049 1.00 24.42 H new ATOM 0 HB2 HIS A 73 11.408 24.156 -13.789 1.00 73.44 H new ATOM 0 HB3 HIS A 73 9.938 23.320 -13.332 1.00 73.44 H new ATOM 0 HD2 HIS A 73 13.006 22.880 -15.292 1.00 11.44 H new ATOM 0 HE1 HIS A 73 10.549 19.968 -17.014 1.00 33.55 H new ATOM 0 HE2 HIS A 73 12.920 20.832 -16.794 1.00 43.24 H new ATOM 1185 N HIS A 74 11.037 26.691 -15.622 1.00 73.42 N ATOM 1186 CA HIS A 74 11.938 27.414 -16.522 1.00 55.10 C ATOM 1187 C HIS A 74 13.259 27.639 -15.774 1.00 1.11 C ATOM 1188 O HIS A 74 13.410 28.625 -15.036 1.00 42.21 O ATOM 1189 CB HIS A 74 11.289 28.745 -16.980 1.00 5.22 C ATOM 1190 CG HIS A 74 12.124 29.555 -17.949 1.00 22.13 C ATOM 1191 ND1 HIS A 74 12.687 30.772 -17.624 1.00 3.43 N ATOM 1192 CD2 HIS A 74 12.457 29.335 -19.246 1.00 23.32 C ATOM 1193 CE1 HIS A 74 13.318 31.254 -18.671 1.00 71.13 C ATOM 1194 NE2 HIS A 74 13.198 30.404 -19.664 1.00 21.20 N ATOM 0 H HIS A 74 10.915 27.147 -14.718 1.00 73.42 H new ATOM 0 HA HIS A 74 12.132 26.839 -17.428 1.00 55.10 H new ATOM 0 HB2 HIS A 74 10.329 28.524 -17.446 1.00 5.22 H new ATOM 0 HB3 HIS A 74 11.084 29.355 -16.100 1.00 5.22 H new ATOM 0 HD2 HIS A 74 12.186 28.474 -19.839 1.00 23.32 H new ATOM 0 HE1 HIS A 74 13.848 32.194 -18.708 1.00 71.13 H new ATOM 0 HE2 HIS A 74 13.594 30.522 -20.597 1.00 21.20 H new ATOM 1203 N HIS A 75 14.174 26.672 -15.928 1.00 75.53 N ATOM 1204 CA HIS A 75 15.460 26.642 -15.212 1.00 65.43 C ATOM 1205 C HIS A 75 16.404 27.726 -15.765 1.00 4.13 C ATOM 1206 O HIS A 75 16.718 27.737 -16.959 1.00 22.41 O ATOM 1207 CB HIS A 75 16.099 25.229 -15.335 1.00 42.52 C ATOM 1208 CG HIS A 75 17.385 25.045 -14.567 1.00 32.35 C ATOM 1209 ND1 HIS A 75 18.630 25.223 -15.127 1.00 35.14 N ATOM 1210 CD2 HIS A 75 17.613 24.673 -13.287 1.00 34.02 C ATOM 1211 CE1 HIS A 75 19.558 24.977 -14.230 1.00 32.21 C ATOM 1212 NE2 HIS A 75 18.972 24.644 -13.103 1.00 45.44 N ATOM 0 H HIS A 75 14.043 25.881 -16.558 1.00 75.53 H new ATOM 0 HA HIS A 75 15.289 26.852 -14.156 1.00 65.43 H new ATOM 0 HB2 HIS A 75 15.377 24.488 -14.990 1.00 42.52 H new ATOM 0 HB3 HIS A 75 16.289 25.022 -16.388 1.00 42.52 H new ATOM 0 HD2 HIS A 75 16.863 24.441 -12.546 1.00 34.02 H new ATOM 0 HE1 HIS A 75 20.624 25.038 -14.392 1.00 32.21 H new ATOM 0 HE2 HIS A 75 19.449 24.403 -12.234 1.00 45.44 H new ATOM 1221 N HIS A 76 16.832 28.638 -14.880 1.00 21.10 N ATOM 1222 CA HIS A 76 17.759 29.746 -15.218 1.00 33.23 C ATOM 1223 C HIS A 76 18.726 30.018 -14.047 1.00 22.43 C ATOM 1224 O HIS A 76 19.350 31.079 -13.978 1.00 14.35 O ATOM 1225 CB HIS A 76 16.962 31.029 -15.625 1.00 70.31 C ATOM 1226 CG HIS A 76 16.052 31.606 -14.571 1.00 32.21 C ATOM 1227 ND1 HIS A 76 16.011 32.950 -14.270 1.00 33.23 N ATOM 1228 CD2 HIS A 76 15.104 31.033 -13.792 1.00 14.43 C ATOM 1229 CE1 HIS A 76 15.086 33.172 -13.364 1.00 71.31 C ATOM 1230 NE2 HIS A 76 14.524 32.027 -13.059 1.00 3.12 N ATOM 0 H HIS A 76 16.547 28.634 -13.901 1.00 21.10 H new ATOM 0 HA HIS A 76 18.360 29.450 -16.078 1.00 33.23 H new ATOM 0 HB2 HIS A 76 17.676 31.798 -15.920 1.00 70.31 H new ATOM 0 HB3 HIS A 76 16.363 30.796 -16.505 1.00 70.31 H new ATOM 0 HD2 HIS A 76 14.853 29.983 -13.757 1.00 14.43 H new ATOM 0 HE1 HIS A 76 14.832 34.133 -12.942 1.00 71.31 H new ATOM 0 HE2 HIS A 76 13.772 31.900 -12.381 1.00 3.12 H new ATOM 1239 N HIS A 77 18.848 29.028 -13.137 1.00 41.02 N ATOM 1240 CA HIS A 77 19.820 29.021 -12.033 1.00 34.00 C ATOM 1241 C HIS A 77 20.251 27.557 -11.796 1.00 30.34 C ATOM 1242 O HIS A 77 19.460 26.790 -11.208 1.00 22.33 O ATOM 1243 CB HIS A 77 19.223 29.649 -10.738 1.00 22.22 C ATOM 1244 CG HIS A 77 20.159 29.613 -9.544 1.00 1.20 C ATOM 1245 ND1 HIS A 77 21.273 30.417 -9.442 1.00 2.02 N ATOM 1246 CD2 HIS A 77 20.165 28.840 -8.421 1.00 13.20 C ATOM 1247 CE1 HIS A 77 21.922 30.139 -8.325 1.00 13.12 C ATOM 1248 NE2 HIS A 77 21.272 29.185 -7.690 1.00 40.52 N ATOM 1249 OXT HIS A 77 21.353 27.172 -12.224 1.00 38.37 O ATOM 0 H HIS A 77 18.259 28.195 -13.154 1.00 41.02 H new ATOM 0 HA HIS A 77 20.684 29.631 -12.297 1.00 34.00 H new ATOM 0 HB2 HIS A 77 18.951 30.685 -10.941 1.00 22.22 H new ATOM 0 HB3 HIS A 77 18.304 29.122 -10.482 1.00 22.22 H new ATOM 0 HD2 HIS A 77 19.432 28.093 -8.156 1.00 13.20 H new ATOM 0 HE1 HIS A 77 22.832 30.614 -7.989 1.00 13.12 H new ATOM 0 HE2 HIS A 77 21.548 28.771 -6.800 1.00 40.52 H new TER 1258 HIS A 77