USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=20 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 160:sc=-0.00907 (180deg=-0.23) USER MOD Single : A 1 MET N :NH3+ 176:sc= 0.654 (180deg=0.642) USER MOD Single : A 5 LYS NZ :NH3+ 153:sc= 1.04 (180deg=0.605) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 152:sc= 0.643 (180deg=0.0975) USER MOD Single : A 24 GLN : amide:sc= 0.105 K(o=0.11,f=-2!) USER MOD Single : A 27 LYS NZ :NH3+ 166:sc= -0.0209 (180deg=-0.207) 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 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 38 LYS NZ :NH3+ 155:sc= 0.535 (180deg=-0.13) USER MOD Single : A 42 GLN : amide:sc= -2.1! K(o=-2.1!,f=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.0711 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 179:sc= 0 (180deg=-0.00239) USER MOD Single : A 52 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00914) USER MOD Single : A 55 LYS NZ :NH3+ 156:sc= 0.499 (180deg=-0.553) USER MOD Single : A 56 LYS NZ :NH3+ -120:sc= -1.48! (180deg=-2.04!) USER MOD Single : A 58 LYS NZ :NH3+ 166:sc= -1.67 (180deg=-2.29!) USER MOD Single : A 60 ASN : amide:sc= -0.154 K(o=-0.15,f=-2.7!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 157:sc= 0.4 (180deg=0.194) 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 : no HD1:sc= -0.168 K(o=-0.17,f=-0.82) USER MOD Single : A 74 HIS : no HD1:sc= -0.196 X(o=-0.2,f=-0.4) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=-0.05) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.147 12.914 -4.617 1.00 43.12 N ATOM 2 CA MET A 1 1.035 13.226 -5.770 1.00 64.25 C ATOM 3 C MET A 1 2.012 12.059 -6.030 1.00 24.32 C ATOM 4 O MET A 1 2.405 11.811 -7.178 1.00 42.43 O ATOM 5 CB MET A 1 1.800 14.567 -5.536 1.00 55.34 C ATOM 6 CG MET A 1 2.822 14.553 -4.390 1.00 62.43 C ATOM 7 SD MET A 1 3.717 16.119 -4.204 1.00 24.15 S ATOM 8 CE MET A 1 2.414 17.247 -3.702 1.00 40.11 C ATOM 0 H1 MET A 1 -0.458 13.735 -4.412 1.00 43.12 H new ATOM 0 H2 MET A 1 -0.449 12.094 -4.850 1.00 43.12 H new ATOM 0 H3 MET A 1 0.727 12.694 -3.782 1.00 43.12 H new ATOM 0 HA MET A 1 0.417 13.351 -6.659 1.00 64.25 H new ATOM 0 HB2 MET A 1 2.317 14.836 -6.457 1.00 55.34 H new ATOM 0 HB3 MET A 1 1.070 15.352 -5.339 1.00 55.34 H new ATOM 0 HG2 MET A 1 2.307 14.324 -3.457 1.00 62.43 H new ATOM 0 HG3 MET A 1 3.540 13.751 -4.563 1.00 62.43 H new ATOM 0 HE1 MET A 1 2.854 18.120 -3.221 1.00 40.11 H new ATOM 0 HE2 MET A 1 1.848 17.562 -4.579 1.00 40.11 H new ATOM 0 HE3 MET A 1 1.747 16.744 -3.001 1.00 40.11 H new ATOM 20 N VAL A 2 2.392 11.339 -4.957 1.00 32.34 N ATOM 21 CA VAL A 2 3.296 10.178 -5.043 1.00 23.42 C ATOM 22 C VAL A 2 2.444 8.908 -5.161 1.00 60.24 C ATOM 23 O VAL A 2 1.775 8.520 -4.194 1.00 1.44 O ATOM 24 CB VAL A 2 4.234 10.081 -3.777 1.00 4.23 C ATOM 25 CG1 VAL A 2 5.244 8.905 -3.900 1.00 55.30 C ATOM 26 CG2 VAL A 2 4.960 11.426 -3.526 1.00 45.43 C ATOM 0 H VAL A 2 2.081 11.546 -4.008 1.00 32.34 H new ATOM 0 HA VAL A 2 3.937 10.292 -5.917 1.00 23.42 H new ATOM 0 HB VAL A 2 3.604 9.872 -2.912 1.00 4.23 H new ATOM 0 HG11 VAL A 2 5.872 8.870 -3.010 1.00 55.30 H new ATOM 0 HG12 VAL A 2 4.699 7.966 -3.996 1.00 55.30 H new ATOM 0 HG13 VAL A 2 5.870 9.053 -4.780 1.00 55.30 H new ATOM 0 HG21 VAL A 2 5.601 11.335 -2.649 1.00 45.43 H new ATOM 0 HG22 VAL A 2 5.568 11.679 -4.395 1.00 45.43 H new ATOM 0 HG23 VAL A 2 4.223 12.211 -3.358 1.00 45.43 H new ATOM 36 N ASP A 3 2.459 8.271 -6.341 1.00 51.21 N ATOM 37 CA ASP A 3 1.631 7.078 -6.597 1.00 13.12 C ATOM 38 C ASP A 3 2.424 5.807 -6.250 1.00 62.04 C ATOM 39 O ASP A 3 3.497 5.552 -6.821 1.00 21.33 O ATOM 40 CB ASP A 3 1.142 7.046 -8.061 1.00 15.31 C ATOM 41 CG ASP A 3 0.115 5.931 -8.322 1.00 14.23 C ATOM 42 OD1 ASP A 3 -0.997 6.005 -7.759 1.00 72.50 O ATOM 43 OD2 ASP A 3 0.401 4.976 -9.081 1.00 75.32 O ATOM 0 H ASP A 3 3.033 8.559 -7.133 1.00 51.21 H new ATOM 0 HA ASP A 3 0.748 7.122 -5.959 1.00 13.12 H new ATOM 0 HB2 ASP A 3 0.698 8.009 -8.312 1.00 15.31 H new ATOM 0 HB3 ASP A 3 1.998 6.908 -8.722 1.00 15.31 H new ATOM 48 N LEU A 4 1.876 5.029 -5.307 1.00 1.11 N ATOM 49 CA LEU A 4 2.492 3.819 -4.760 1.00 74.11 C ATOM 50 C LEU A 4 1.793 2.583 -5.346 1.00 61.43 C ATOM 51 O LEU A 4 0.612 2.349 -5.061 1.00 5.54 O ATOM 52 CB LEU A 4 2.351 3.819 -3.201 1.00 10.13 C ATOM 53 CG LEU A 4 2.850 5.102 -2.460 1.00 13.21 C ATOM 54 CD1 LEU A 4 2.675 4.987 -0.933 1.00 32.25 C ATOM 55 CD2 LEU A 4 4.306 5.413 -2.823 1.00 53.10 C ATOM 0 H LEU A 4 0.966 5.232 -4.894 1.00 1.11 H new ATOM 0 HA LEU A 4 3.549 3.795 -5.024 1.00 74.11 H new ATOM 0 HB2 LEU A 4 1.301 3.667 -2.953 1.00 10.13 H new ATOM 0 HB3 LEU A 4 2.898 2.962 -2.808 1.00 10.13 H new ATOM 0 HG LEU A 4 2.229 5.933 -2.796 1.00 13.21 H new ATOM 0 HD11 LEU A 4 3.034 5.899 -0.456 1.00 32.25 H new ATOM 0 HD12 LEU A 4 1.620 4.845 -0.697 1.00 32.25 H new ATOM 0 HD13 LEU A 4 3.247 4.136 -0.564 1.00 32.25 H new ATOM 0 HD21 LEU A 4 4.629 6.310 -2.295 1.00 53.10 H new ATOM 0 HD22 LEU A 4 4.940 4.574 -2.535 1.00 53.10 H new ATOM 0 HD23 LEU A 4 4.386 5.576 -3.898 1.00 53.10 H new ATOM 67 N LYS A 5 2.508 1.825 -6.196 1.00 34.53 N ATOM 68 CA LYS A 5 2.051 0.516 -6.691 1.00 55.21 C ATOM 69 C LYS A 5 2.827 -0.591 -5.974 1.00 72.24 C ATOM 70 O LYS A 5 4.048 -0.677 -6.117 1.00 75.32 O ATOM 71 CB LYS A 5 2.252 0.402 -8.226 1.00 24.22 C ATOM 72 CG LYS A 5 1.465 1.436 -9.060 1.00 33.12 C ATOM 73 CD LYS A 5 1.559 1.153 -10.578 1.00 31.44 C ATOM 74 CE LYS A 5 0.794 2.181 -11.433 1.00 10.44 C ATOM 75 NZ LYS A 5 1.399 3.537 -11.355 1.00 51.12 N ATOM 0 H LYS A 5 3.420 2.104 -6.559 1.00 34.53 H new ATOM 0 HA LYS A 5 0.986 0.412 -6.484 1.00 55.21 H new ATOM 0 HB2 LYS A 5 3.314 0.509 -8.448 1.00 24.22 H new ATOM 0 HB3 LYS A 5 1.959 -0.599 -8.543 1.00 24.22 H new ATOM 0 HG2 LYS A 5 0.419 1.427 -8.754 1.00 33.12 H new ATOM 0 HG3 LYS A 5 1.849 2.435 -8.854 1.00 33.12 H new ATOM 0 HD2 LYS A 5 2.607 1.149 -10.877 1.00 31.44 H new ATOM 0 HD3 LYS A 5 1.166 0.157 -10.781 1.00 31.44 H new ATOM 0 HE2 LYS A 5 0.781 1.850 -12.471 1.00 10.44 H new ATOM 0 HE3 LYS A 5 -0.243 2.228 -11.101 1.00 10.44 H new ATOM 0 HZ1 LYS A 5 1.187 4.062 -12.227 1.00 51.12 H new ATOM 0 HZ2 LYS A 5 1.004 4.047 -10.539 1.00 51.12 H new ATOM 0 HZ3 LYS A 5 2.430 3.451 -11.244 1.00 51.12 H new ATOM 89 N ILE A 6 2.126 -1.433 -5.196 1.00 52.43 N ATOM 90 CA ILE A 6 2.750 -2.563 -4.475 1.00 30.15 C ATOM 91 C ILE A 6 2.293 -3.891 -5.120 1.00 30.24 C ATOM 92 O ILE A 6 1.100 -4.193 -5.127 1.00 55.41 O ATOM 93 CB ILE A 6 2.400 -2.590 -2.929 1.00 70.02 C ATOM 94 CG1 ILE A 6 2.796 -1.248 -2.191 1.00 12.13 C ATOM 95 CG2 ILE A 6 3.087 -3.810 -2.258 1.00 75.13 C ATOM 96 CD1 ILE A 6 1.869 -0.057 -2.418 1.00 43.23 C ATOM 0 H ILE A 6 1.120 -1.354 -5.048 1.00 52.43 H new ATOM 0 HA ILE A 6 3.829 -2.434 -4.556 1.00 30.15 H new ATOM 0 HB ILE A 6 1.318 -2.684 -2.838 1.00 70.02 H new ATOM 0 HG12 ILE A 6 2.843 -1.447 -1.120 1.00 12.13 H new ATOM 0 HG13 ILE A 6 3.800 -0.966 -2.507 1.00 12.13 H new ATOM 0 HG21 ILE A 6 2.844 -3.825 -1.195 1.00 75.13 H new ATOM 0 HG22 ILE A 6 2.733 -4.729 -2.725 1.00 75.13 H new ATOM 0 HG23 ILE A 6 4.167 -3.733 -2.382 1.00 75.13 H new ATOM 0 HD11 ILE A 6 2.241 0.804 -1.863 1.00 43.23 H new ATOM 0 HD12 ILE A 6 1.838 0.182 -3.481 1.00 43.23 H new ATOM 0 HD13 ILE A 6 0.866 -0.306 -2.072 1.00 43.23 H new ATOM 108 N ASP A 7 3.253 -4.664 -5.666 1.00 11.01 N ATOM 109 CA ASP A 7 2.988 -6.002 -6.228 1.00 53.40 C ATOM 110 C ASP A 7 2.555 -6.952 -5.097 1.00 63.14 C ATOM 111 O ASP A 7 3.236 -7.042 -4.071 1.00 71.13 O ATOM 112 CB ASP A 7 4.250 -6.565 -6.938 1.00 12.41 C ATOM 113 CG ASP A 7 4.701 -5.711 -8.140 1.00 70.14 C ATOM 114 OD1 ASP A 7 5.400 -4.696 -7.938 1.00 2.24 O ATOM 115 OD2 ASP A 7 4.357 -6.047 -9.292 1.00 41.25 O ATOM 0 H ASP A 7 4.230 -4.379 -5.729 1.00 11.01 H new ATOM 0 HA ASP A 7 2.191 -5.921 -6.967 1.00 53.40 H new ATOM 0 HB2 ASP A 7 5.066 -6.628 -6.218 1.00 12.41 H new ATOM 0 HB3 ASP A 7 4.046 -7.580 -7.278 1.00 12.41 H new ATOM 120 N VAL A 8 1.423 -7.645 -5.280 1.00 32.31 N ATOM 121 CA VAL A 8 0.862 -8.569 -4.277 1.00 65.31 C ATOM 122 C VAL A 8 0.527 -9.909 -4.947 1.00 52.11 C ATOM 123 O VAL A 8 -0.042 -9.944 -6.047 1.00 71.43 O ATOM 124 CB VAL A 8 -0.408 -7.965 -3.555 1.00 35.00 C ATOM 125 CG1 VAL A 8 -0.003 -6.863 -2.554 1.00 4.43 C ATOM 126 CG2 VAL A 8 -1.432 -7.417 -4.579 1.00 43.40 C ATOM 0 H VAL A 8 0.865 -7.582 -6.132 1.00 32.31 H new ATOM 0 HA VAL A 8 1.613 -8.728 -3.504 1.00 65.31 H new ATOM 0 HB VAL A 8 -0.885 -8.774 -3.002 1.00 35.00 H new ATOM 0 HG11 VAL A 8 -0.895 -6.464 -2.071 1.00 4.43 H new ATOM 0 HG12 VAL A 8 0.661 -7.284 -1.799 1.00 4.43 H new ATOM 0 HG13 VAL A 8 0.512 -6.061 -3.084 1.00 4.43 H new ATOM 0 HG21 VAL A 8 -2.293 -7.009 -4.050 1.00 43.40 H new ATOM 0 HG22 VAL A 8 -0.966 -6.632 -5.174 1.00 43.40 H new ATOM 0 HG23 VAL A 8 -1.758 -8.224 -5.235 1.00 43.40 H new ATOM 136 N SER A 9 0.917 -10.998 -4.273 1.00 12.22 N ATOM 137 CA SER A 9 0.760 -12.373 -4.761 1.00 32.45 C ATOM 138 C SER A 9 -0.723 -12.789 -4.813 1.00 50.35 C ATOM 139 O SER A 9 -1.199 -13.316 -5.829 1.00 12.44 O ATOM 140 CB SER A 9 1.552 -13.320 -3.834 1.00 20.14 C ATOM 141 OG SER A 9 2.898 -12.884 -3.689 1.00 14.03 O ATOM 0 H SER A 9 1.359 -10.947 -3.355 1.00 12.22 H new ATOM 0 HA SER A 9 1.147 -12.434 -5.778 1.00 32.45 H new ATOM 0 HB2 SER A 9 1.072 -13.362 -2.856 1.00 20.14 H new ATOM 0 HB3 SER A 9 1.535 -14.331 -4.241 1.00 20.14 H new ATOM 0 HG SER A 9 3.379 -13.499 -3.096 1.00 14.03 H new ATOM 147 N ASP A 10 -1.444 -12.527 -3.707 1.00 54.33 N ATOM 148 CA ASP A 10 -2.839 -12.978 -3.531 1.00 30.34 C ATOM 149 C ASP A 10 -3.822 -11.803 -3.662 1.00 1.00 C ATOM 150 O ASP A 10 -3.424 -10.631 -3.687 1.00 61.45 O ATOM 151 CB ASP A 10 -3.026 -13.657 -2.148 1.00 71.03 C ATOM 152 CG ASP A 10 -1.962 -14.720 -1.832 1.00 71.41 C ATOM 153 OD1 ASP A 10 -2.157 -15.899 -2.186 1.00 1.32 O ATOM 154 OD2 ASP A 10 -0.923 -14.378 -1.231 1.00 32.32 O ATOM 0 H ASP A 10 -1.079 -12.000 -2.914 1.00 54.33 H new ATOM 0 HA ASP A 10 -3.051 -13.702 -4.318 1.00 30.34 H new ATOM 0 HB2 ASP A 10 -3.004 -12.892 -1.372 1.00 71.03 H new ATOM 0 HB3 ASP A 10 -4.012 -14.120 -2.111 1.00 71.03 H new ATOM 159 N ASP A 11 -5.114 -12.153 -3.710 1.00 13.21 N ATOM 160 CA ASP A 11 -6.234 -11.194 -3.751 1.00 74.13 C ATOM 161 C ASP A 11 -6.617 -10.778 -2.313 1.00 21.35 C ATOM 162 O ASP A 11 -6.925 -9.614 -2.060 1.00 25.24 O ATOM 163 CB ASP A 11 -7.442 -11.810 -4.508 1.00 44.35 C ATOM 164 CG ASP A 11 -8.051 -13.060 -3.829 1.00 14.31 C ATOM 165 OD1 ASP A 11 -7.333 -14.072 -3.665 1.00 13.34 O ATOM 166 OD2 ASP A 11 -9.250 -13.050 -3.481 1.00 72.55 O ATOM 0 H ASP A 11 -5.419 -13.126 -3.722 1.00 13.21 H new ATOM 0 HA ASP A 11 -5.927 -10.299 -4.293 1.00 74.13 H new ATOM 0 HB2 ASP A 11 -8.218 -11.051 -4.608 1.00 44.35 H new ATOM 0 HB3 ASP A 11 -7.126 -12.077 -5.516 1.00 44.35 H new ATOM 171 N GLU A 12 -6.568 -11.756 -1.387 1.00 50.24 N ATOM 172 CA GLU A 12 -6.812 -11.529 0.057 1.00 42.44 C ATOM 173 C GLU A 12 -5.642 -10.726 0.653 1.00 10.32 C ATOM 174 O GLU A 12 -5.849 -9.769 1.402 1.00 4.24 O ATOM 175 CB GLU A 12 -6.992 -12.897 0.787 1.00 52.13 C ATOM 176 CG GLU A 12 -7.705 -12.860 2.171 1.00 41.13 C ATOM 177 CD GLU A 12 -6.937 -12.120 3.288 1.00 72.51 C ATOM 178 OE1 GLU A 12 -5.876 -12.616 3.726 1.00 52.54 O ATOM 179 OE2 GLU A 12 -7.394 -11.050 3.740 1.00 71.33 O ATOM 0 H GLU A 12 -6.358 -12.727 -1.616 1.00 50.24 H new ATOM 0 HA GLU A 12 -7.728 -10.954 0.192 1.00 42.44 H new ATOM 0 HB2 GLU A 12 -7.555 -13.562 0.131 1.00 52.13 H new ATOM 0 HB3 GLU A 12 -6.007 -13.343 0.923 1.00 52.13 H new ATOM 0 HG2 GLU A 12 -8.679 -12.387 2.047 1.00 41.13 H new ATOM 0 HG3 GLU A 12 -7.887 -13.885 2.495 1.00 41.13 H new ATOM 186 N GLU A 13 -4.409 -11.134 0.306 1.00 52.13 N ATOM 187 CA GLU A 13 -3.173 -10.450 0.744 1.00 15.21 C ATOM 188 C GLU A 13 -3.156 -8.988 0.264 1.00 4.21 C ATOM 189 O GLU A 13 -2.641 -8.105 0.958 1.00 74.31 O ATOM 190 CB GLU A 13 -1.956 -11.213 0.192 1.00 50.33 C ATOM 191 CG GLU A 13 -0.578 -10.646 0.574 1.00 71.52 C ATOM 192 CD GLU A 13 0.577 -11.373 -0.137 1.00 11.04 C ATOM 193 OE1 GLU A 13 0.806 -11.090 -1.334 1.00 60.11 O ATOM 194 OE2 GLU A 13 1.263 -12.200 0.494 1.00 3.12 O ATOM 0 H GLU A 13 -4.238 -11.947 -0.286 1.00 52.13 H new ATOM 0 HA GLU A 13 -3.135 -10.441 1.833 1.00 15.21 H new ATOM 0 HB2 GLU A 13 -2.011 -12.245 0.538 1.00 50.33 H new ATOM 0 HB3 GLU A 13 -2.029 -11.237 -0.895 1.00 50.33 H new ATOM 0 HG2 GLU A 13 -0.543 -9.585 0.325 1.00 71.52 H new ATOM 0 HG3 GLU A 13 -0.443 -10.724 1.653 1.00 71.52 H new ATOM 201 N ALA A 14 -3.737 -8.758 -0.929 1.00 3.33 N ATOM 202 CA ALA A 14 -3.941 -7.414 -1.480 1.00 51.01 C ATOM 203 C ALA A 14 -4.806 -6.568 -0.531 1.00 13.43 C ATOM 204 O ALA A 14 -4.490 -5.413 -0.230 1.00 3.50 O ATOM 205 CB ALA A 14 -4.598 -7.503 -2.867 1.00 12.14 C ATOM 0 H ALA A 14 -4.077 -9.504 -1.536 1.00 3.33 H new ATOM 0 HA ALA A 14 -2.970 -6.930 -1.583 1.00 51.01 H new ATOM 0 HB1 ALA A 14 -4.744 -6.499 -3.265 1.00 12.14 H new ATOM 0 HB2 ALA A 14 -3.954 -8.070 -3.539 1.00 12.14 H new ATOM 0 HB3 ALA A 14 -5.563 -8.003 -2.781 1.00 12.14 H new ATOM 211 N GLU A 15 -5.892 -7.183 -0.048 1.00 21.12 N ATOM 212 CA GLU A 15 -6.843 -6.550 0.875 1.00 23.35 C ATOM 213 C GLU A 15 -6.199 -6.313 2.250 1.00 12.13 C ATOM 214 O GLU A 15 -6.525 -5.338 2.905 1.00 31.52 O ATOM 215 CB GLU A 15 -8.117 -7.425 0.979 1.00 4.13 C ATOM 216 CG GLU A 15 -8.864 -7.571 -0.361 1.00 20.21 C ATOM 217 CD GLU A 15 -10.006 -8.595 -0.322 1.00 40.30 C ATOM 218 OE1 GLU A 15 -11.147 -8.218 0.019 1.00 52.32 O ATOM 219 OE2 GLU A 15 -9.764 -9.781 -0.630 1.00 52.12 O ATOM 0 H GLU A 15 -6.138 -8.143 -0.289 1.00 21.12 H new ATOM 0 HA GLU A 15 -7.127 -5.572 0.487 1.00 23.35 H new ATOM 0 HB2 GLU A 15 -7.842 -8.415 1.344 1.00 4.13 H new ATOM 0 HB3 GLU A 15 -8.790 -6.989 1.717 1.00 4.13 H new ATOM 0 HG2 GLU A 15 -9.268 -6.600 -0.649 1.00 20.21 H new ATOM 0 HG3 GLU A 15 -8.153 -7.863 -1.134 1.00 20.21 H new ATOM 226 N LYS A 16 -5.259 -7.191 2.660 1.00 53.34 N ATOM 227 CA LYS A 16 -4.491 -7.028 3.917 1.00 4.54 C ATOM 228 C LYS A 16 -3.590 -5.772 3.873 1.00 0.32 C ATOM 229 O LYS A 16 -3.337 -5.158 4.916 1.00 22.33 O ATOM 230 CB LYS A 16 -3.647 -8.304 4.239 1.00 30.50 C ATOM 231 CG LYS A 16 -4.423 -9.453 4.931 1.00 42.32 C ATOM 232 CD LYS A 16 -4.938 -9.041 6.334 1.00 3.30 C ATOM 233 CE LYS A 16 -5.552 -10.211 7.134 1.00 31.51 C ATOM 234 NZ LYS A 16 -6.738 -10.807 6.454 1.00 73.14 N ATOM 0 H LYS A 16 -5.011 -8.029 2.134 1.00 53.34 H new ATOM 0 HA LYS A 16 -5.215 -6.892 4.720 1.00 4.54 H new ATOM 0 HB2 LYS A 16 -3.222 -8.683 3.309 1.00 30.50 H new ATOM 0 HB3 LYS A 16 -2.812 -8.016 4.877 1.00 30.50 H new ATOM 0 HG2 LYS A 16 -5.267 -9.748 4.307 1.00 42.32 H new ATOM 0 HG3 LYS A 16 -3.775 -10.324 5.024 1.00 42.32 H new ATOM 0 HD2 LYS A 16 -4.113 -8.615 6.904 1.00 3.30 H new ATOM 0 HD3 LYS A 16 -5.686 -8.256 6.222 1.00 3.30 H new ATOM 0 HE2 LYS A 16 -4.796 -10.982 7.282 1.00 31.51 H new ATOM 0 HE3 LYS A 16 -5.844 -9.857 8.123 1.00 31.51 H new ATOM 0 HZ1 LYS A 16 -6.826 -11.808 6.723 1.00 73.14 H new ATOM 0 HZ2 LYS A 16 -7.596 -10.294 6.740 1.00 73.14 H new ATOM 0 HZ3 LYS A 16 -6.620 -10.735 5.423 1.00 73.14 H new ATOM 248 N ILE A 17 -3.109 -5.405 2.667 1.00 73.41 N ATOM 249 CA ILE A 17 -2.336 -4.159 2.457 1.00 74.22 C ATOM 250 C ILE A 17 -3.265 -2.940 2.630 1.00 5.01 C ATOM 251 O ILE A 17 -2.928 -1.970 3.320 1.00 12.42 O ATOM 252 CB ILE A 17 -1.694 -4.095 1.017 1.00 4.01 C ATOM 253 CG1 ILE A 17 -0.888 -5.388 0.680 1.00 2.40 C ATOM 254 CG2 ILE A 17 -0.817 -2.828 0.842 1.00 43.01 C ATOM 255 CD1 ILE A 17 0.318 -5.653 1.550 1.00 22.20 C ATOM 0 H ILE A 17 -3.242 -5.956 1.819 1.00 73.41 H new ATOM 0 HA ILE A 17 -1.533 -4.147 3.194 1.00 74.22 H new ATOM 0 HB ILE A 17 -2.517 -4.031 0.305 1.00 4.01 H new ATOM 0 HG12 ILE A 17 -1.561 -6.243 0.753 1.00 2.40 H new ATOM 0 HG13 ILE A 17 -0.559 -5.329 -0.357 1.00 2.40 H new ATOM 0 HG21 ILE A 17 -0.391 -2.816 -0.161 1.00 43.01 H new ATOM 0 HG22 ILE A 17 -1.430 -1.938 0.986 1.00 43.01 H new ATOM 0 HG23 ILE A 17 -0.013 -2.838 1.578 1.00 43.01 H new ATOM 0 HD11 ILE A 17 0.803 -6.575 1.229 1.00 22.20 H new ATOM 0 HD12 ILE A 17 1.020 -4.824 1.461 1.00 22.20 H new ATOM 0 HD13 ILE A 17 0.003 -5.752 2.589 1.00 22.20 H new ATOM 267 N ILE A 18 -4.447 -3.042 1.997 1.00 63.40 N ATOM 268 CA ILE A 18 -5.456 -1.970 1.962 1.00 31.53 C ATOM 269 C ILE A 18 -5.949 -1.649 3.385 1.00 2.34 C ATOM 270 O ILE A 18 -5.866 -0.507 3.817 1.00 63.40 O ATOM 271 CB ILE A 18 -6.659 -2.376 1.025 1.00 22.05 C ATOM 272 CG1 ILE A 18 -6.161 -2.535 -0.450 1.00 3.44 C ATOM 273 CG2 ILE A 18 -7.838 -1.373 1.117 1.00 22.34 C ATOM 274 CD1 ILE A 18 -7.213 -3.015 -1.440 1.00 32.41 C ATOM 0 H ILE A 18 -4.731 -3.880 1.490 1.00 63.40 H new ATOM 0 HA ILE A 18 -4.996 -1.071 1.552 1.00 31.53 H new ATOM 0 HB ILE A 18 -7.042 -3.336 1.371 1.00 22.05 H new ATOM 0 HG12 ILE A 18 -5.775 -1.575 -0.792 1.00 3.44 H new ATOM 0 HG13 ILE A 18 -5.327 -3.237 -0.462 1.00 3.44 H new ATOM 0 HG21 ILE A 18 -8.642 -1.695 0.455 1.00 22.34 H new ATOM 0 HG22 ILE A 18 -8.206 -1.337 2.143 1.00 22.34 H new ATOM 0 HG23 ILE A 18 -7.497 -0.382 0.819 1.00 22.34 H new ATOM 0 HD11 ILE A 18 -6.770 -3.093 -2.433 1.00 32.41 H new ATOM 0 HD12 ILE A 18 -7.585 -3.992 -1.131 1.00 32.41 H new ATOM 0 HD13 ILE A 18 -8.039 -2.304 -1.466 1.00 32.41 H new ATOM 286 N ARG A 19 -6.408 -2.693 4.103 1.00 55.33 N ATOM 287 CA ARG A 19 -6.919 -2.598 5.486 1.00 73.02 C ATOM 288 C ARG A 19 -5.859 -1.985 6.422 1.00 65.52 C ATOM 289 O ARG A 19 -6.186 -1.158 7.275 1.00 45.43 O ATOM 290 CB ARG A 19 -7.339 -4.004 6.005 1.00 30.53 C ATOM 291 CG ARG A 19 -8.476 -4.697 5.219 1.00 74.34 C ATOM 292 CD ARG A 19 -9.831 -3.978 5.313 1.00 50.22 C ATOM 293 NE ARG A 19 -10.868 -4.720 4.568 1.00 31.43 N ATOM 294 CZ ARG A 19 -12.184 -4.736 4.842 1.00 3.44 C ATOM 295 NH1 ARG A 19 -12.686 -4.044 5.867 1.00 44.33 N ATOM 296 NH2 ARG A 19 -12.988 -5.468 4.087 1.00 53.50 N ATOM 0 H ARG A 19 -6.435 -3.643 3.732 1.00 55.33 H new ATOM 0 HA ARG A 19 -7.793 -1.946 5.481 1.00 73.02 H new ATOM 0 HB2 ARG A 19 -6.464 -4.653 5.989 1.00 30.53 H new ATOM 0 HB3 ARG A 19 -7.647 -3.909 7.046 1.00 30.53 H new ATOM 0 HG2 ARG A 19 -8.187 -4.769 4.171 1.00 74.34 H new ATOM 0 HG3 ARG A 19 -8.591 -5.716 5.589 1.00 74.34 H new ATOM 0 HD2 ARG A 19 -10.126 -3.882 6.358 1.00 50.22 H new ATOM 0 HD3 ARG A 19 -9.741 -2.968 4.913 1.00 50.22 H new ATOM 0 HE ARG A 19 -10.556 -5.273 3.770 1.00 31.43 H new ATOM 0 HH11 ARG A 19 -12.068 -3.490 6.459 1.00 44.33 H new ATOM 0 HH12 ARG A 19 -13.688 -4.070 6.058 1.00 44.33 H new ATOM 0 HH21 ARG A 19 -12.606 -6.009 3.311 1.00 53.50 H new ATOM 0 HH22 ARG A 19 -13.989 -5.491 4.281 1.00 53.50 H new ATOM 310 N GLU A 20 -4.582 -2.387 6.213 1.00 73.23 N ATOM 311 CA GLU A 20 -3.423 -1.873 6.970 1.00 42.14 C ATOM 312 C GLU A 20 -3.331 -0.339 6.845 1.00 62.52 C ATOM 313 O GLU A 20 -3.272 0.377 7.857 1.00 65.13 O ATOM 314 CB GLU A 20 -2.117 -2.551 6.458 1.00 64.12 C ATOM 315 CG GLU A 20 -0.792 -2.030 7.073 1.00 51.43 C ATOM 316 CD GLU A 20 -0.710 -2.134 8.611 1.00 11.31 C ATOM 317 OE1 GLU A 20 -1.014 -3.213 9.163 1.00 71.52 O ATOM 318 OE2 GLU A 20 -0.353 -1.137 9.279 1.00 72.44 O ATOM 0 H GLU A 20 -4.330 -3.081 5.510 1.00 73.23 H new ATOM 0 HA GLU A 20 -3.552 -2.115 8.025 1.00 42.14 H new ATOM 0 HB2 GLU A 20 -2.188 -3.621 6.651 1.00 64.12 H new ATOM 0 HB3 GLU A 20 -2.066 -2.425 5.376 1.00 64.12 H new ATOM 0 HG2 GLU A 20 0.038 -2.588 6.640 1.00 51.43 H new ATOM 0 HG3 GLU A 20 -0.659 -0.987 6.785 1.00 51.43 H new ATOM 325 N ILE A 21 -3.359 0.145 5.588 1.00 55.54 N ATOM 326 CA ILE A 21 -3.260 1.579 5.277 1.00 5.53 C ATOM 327 C ILE A 21 -4.509 2.347 5.764 1.00 23.31 C ATOM 328 O ILE A 21 -4.380 3.469 6.240 1.00 52.33 O ATOM 329 CB ILE A 21 -3.020 1.811 3.732 1.00 62.33 C ATOM 330 CG1 ILE A 21 -1.711 1.089 3.255 1.00 62.23 C ATOM 331 CG2 ILE A 21 -2.975 3.319 3.373 1.00 33.01 C ATOM 332 CD1 ILE A 21 -0.437 1.536 3.956 1.00 13.32 C ATOM 0 H ILE A 21 -3.451 -0.448 4.763 1.00 55.54 H new ATOM 0 HA ILE A 21 -2.397 1.974 5.814 1.00 5.53 H new ATOM 0 HB ILE A 21 -3.869 1.375 3.205 1.00 62.33 H new ATOM 0 HG12 ILE A 21 -1.832 0.016 3.403 1.00 62.23 H new ATOM 0 HG13 ILE A 21 -1.594 1.252 2.184 1.00 62.23 H new ATOM 0 HG21 ILE A 21 -2.808 3.433 2.302 1.00 33.01 H new ATOM 0 HG22 ILE A 21 -3.922 3.786 3.645 1.00 33.01 H new ATOM 0 HG23 ILE A 21 -2.163 3.799 3.920 1.00 33.01 H new ATOM 0 HD11 ILE A 21 0.412 0.980 3.558 1.00 13.32 H new ATOM 0 HD12 ILE A 21 -0.284 2.602 3.787 1.00 13.32 H new ATOM 0 HD13 ILE A 21 -0.525 1.347 5.026 1.00 13.32 H new ATOM 344 N ARG A 22 -5.698 1.714 5.668 1.00 53.41 N ATOM 345 CA ARG A 22 -6.987 2.325 6.080 1.00 73.14 C ATOM 346 C ARG A 22 -6.985 2.709 7.571 1.00 64.13 C ATOM 347 O ARG A 22 -7.530 3.752 7.950 1.00 2.13 O ATOM 348 CB ARG A 22 -8.176 1.361 5.820 1.00 44.42 C ATOM 349 CG ARG A 22 -8.524 1.102 4.339 1.00 71.55 C ATOM 350 CD ARG A 22 -9.687 0.089 4.178 1.00 51.23 C ATOM 351 NE ARG A 22 -10.987 0.622 4.659 1.00 54.41 N ATOM 352 CZ ARG A 22 -11.544 0.386 5.865 1.00 62.13 C ATOM 353 NH1 ARG A 22 -10.938 -0.379 6.772 1.00 20.31 N ATOM 354 NH2 ARG A 22 -12.719 0.924 6.152 1.00 31.12 N ATOM 0 H ARG A 22 -5.795 0.766 5.304 1.00 53.41 H new ATOM 0 HA ARG A 22 -7.106 3.226 5.478 1.00 73.14 H new ATOM 0 HB2 ARG A 22 -7.953 0.405 6.293 1.00 44.42 H new ATOM 0 HB3 ARG A 22 -9.060 1.763 6.315 1.00 44.42 H new ATOM 0 HG2 ARG A 22 -8.796 2.043 3.862 1.00 71.55 H new ATOM 0 HG3 ARG A 22 -7.642 0.725 3.821 1.00 71.55 H new ATOM 0 HD2 ARG A 22 -9.779 -0.187 3.128 1.00 51.23 H new ATOM 0 HD3 ARG A 22 -9.448 -0.822 4.727 1.00 51.23 H new ATOM 0 HE ARG A 22 -11.507 1.222 4.018 1.00 54.41 H new ATOM 0 HH11 ARG A 22 -10.033 -0.800 6.561 1.00 20.31 H new ATOM 0 HH12 ARG A 22 -11.379 -0.543 7.677 1.00 20.31 H new ATOM 0 HH21 ARG A 22 -13.193 1.510 5.465 1.00 31.12 H new ATOM 0 HH22 ARG A 22 -13.150 0.753 7.060 1.00 31.12 H new ATOM 368 N GLU A 23 -6.391 1.848 8.412 1.00 10.33 N ATOM 369 CA GLU A 23 -6.405 2.030 9.869 1.00 14.21 C ATOM 370 C GLU A 23 -5.470 3.174 10.284 1.00 21.01 C ATOM 371 O GLU A 23 -5.867 4.064 11.045 1.00 74.21 O ATOM 372 CB GLU A 23 -6.011 0.715 10.587 1.00 22.42 C ATOM 373 CG GLU A 23 -6.975 -0.468 10.344 1.00 43.24 C ATOM 374 CD GLU A 23 -8.426 -0.156 10.758 1.00 20.33 C ATOM 375 OE1 GLU A 23 -8.737 -0.207 11.968 1.00 10.33 O ATOM 376 OE2 GLU A 23 -9.266 0.148 9.875 1.00 71.12 O ATOM 0 H GLU A 23 -5.892 1.014 8.103 1.00 10.33 H new ATOM 0 HA GLU A 23 -7.419 2.294 10.169 1.00 14.21 H new ATOM 0 HB2 GLU A 23 -5.012 0.425 10.261 1.00 22.42 H new ATOM 0 HB3 GLU A 23 -5.954 0.905 11.659 1.00 22.42 H new ATOM 0 HG2 GLU A 23 -6.954 -0.736 9.288 1.00 43.24 H new ATOM 0 HG3 GLU A 23 -6.623 -1.337 10.900 1.00 43.24 H new ATOM 383 N GLN A 24 -4.237 3.136 9.767 1.00 14.12 N ATOM 384 CA GLN A 24 -3.192 4.116 10.098 1.00 23.21 C ATOM 385 C GLN A 24 -3.522 5.490 9.447 1.00 51.14 C ATOM 386 O GLN A 24 -3.579 6.516 10.136 1.00 22.03 O ATOM 387 CB GLN A 24 -1.815 3.573 9.626 1.00 4.54 C ATOM 388 CG GLN A 24 -1.492 2.107 10.026 1.00 32.24 C ATOM 389 CD GLN A 24 -1.088 1.897 11.490 1.00 42.22 C ATOM 390 OE1 GLN A 24 -1.482 2.646 12.387 1.00 13.21 O ATOM 391 NE2 GLN A 24 -0.320 0.842 11.750 1.00 3.24 N ATOM 0 H GLN A 24 -3.933 2.423 9.104 1.00 14.12 H new ATOM 0 HA GLN A 24 -3.150 4.267 11.177 1.00 23.21 H new ATOM 0 HB2 GLN A 24 -1.768 3.652 8.540 1.00 4.54 H new ATOM 0 HB3 GLN A 24 -1.034 4.219 10.027 1.00 4.54 H new ATOM 0 HG2 GLN A 24 -2.366 1.490 9.816 1.00 32.24 H new ATOM 0 HG3 GLN A 24 -0.686 1.744 9.389 1.00 32.24 H new ATOM 0 HE21 GLN A 24 -0.008 0.239 10.989 1.00 3.24 H new ATOM 0 HE22 GLN A 24 -0.043 0.637 12.710 1.00 3.24 H new ATOM 400 N TRP A 25 -3.739 5.486 8.109 1.00 4.23 N ATOM 401 CA TRP A 25 -4.178 6.675 7.328 1.00 64.54 C ATOM 402 C TRP A 25 -5.586 6.432 6.737 1.00 62.34 C ATOM 403 O TRP A 25 -5.707 5.843 5.657 1.00 60.32 O ATOM 404 CB TRP A 25 -3.173 6.988 6.177 1.00 64.14 C ATOM 405 CG TRP A 25 -1.762 7.157 6.659 1.00 30.41 C ATOM 406 CD1 TRP A 25 -1.156 8.310 7.069 1.00 51.13 C ATOM 407 CD2 TRP A 25 -0.794 6.115 6.817 1.00 53.24 C ATOM 408 NE1 TRP A 25 0.121 8.040 7.486 1.00 50.43 N ATOM 409 CE2 TRP A 25 0.362 6.701 7.346 1.00 63.53 C ATOM 410 CE3 TRP A 25 -0.808 4.738 6.567 1.00 45.13 C ATOM 411 CZ2 TRP A 25 1.494 5.962 7.640 1.00 50.32 C ATOM 412 CZ3 TRP A 25 0.319 4.004 6.858 1.00 75.24 C ATOM 413 CH2 TRP A 25 1.453 4.617 7.398 1.00 51.40 C ATOM 0 H TRP A 25 -3.614 4.652 7.535 1.00 4.23 H new ATOM 0 HA TRP A 25 -4.210 7.530 8.003 1.00 64.54 H new ATOM 0 HB2 TRP A 25 -3.206 6.182 5.444 1.00 64.14 H new ATOM 0 HB3 TRP A 25 -3.487 7.898 5.665 1.00 64.14 H new ATOM 0 HD1 TRP A 25 -1.614 9.288 7.065 1.00 51.13 H new ATOM 0 HE1 TRP A 25 0.785 8.727 7.843 1.00 50.43 H new ATOM 0 HE3 TRP A 25 -1.685 4.261 6.154 1.00 45.13 H new ATOM 0 HZ2 TRP A 25 2.378 6.431 8.046 1.00 50.32 H new ATOM 0 HZ3 TRP A 25 0.327 2.941 6.667 1.00 75.24 H new ATOM 0 HH2 TRP A 25 2.318 4.013 7.630 1.00 51.40 H new ATOM 424 N PRO A 26 -6.687 6.844 7.445 1.00 54.33 N ATOM 425 CA PRO A 26 -8.066 6.767 6.889 1.00 71.31 C ATOM 426 C PRO A 26 -8.249 7.721 5.690 1.00 52.24 C ATOM 427 O PRO A 26 -9.011 7.442 4.757 1.00 51.23 O ATOM 428 CB PRO A 26 -8.972 7.170 8.092 1.00 60.31 C ATOM 429 CG PRO A 26 -8.091 7.066 9.307 1.00 64.44 C ATOM 430 CD PRO A 26 -6.692 7.386 8.827 1.00 60.41 C ATOM 0 HA PRO A 26 -8.307 5.779 6.497 1.00 71.31 H new ATOM 0 HB2 PRO A 26 -9.358 8.182 7.972 1.00 60.31 H new ATOM 0 HB3 PRO A 26 -9.834 6.508 8.174 1.00 60.31 H new ATOM 0 HG2 PRO A 26 -8.408 7.764 10.082 1.00 64.44 H new ATOM 0 HG3 PRO A 26 -8.137 6.067 9.740 1.00 64.44 H new ATOM 0 HD2 PRO A 26 -6.494 8.458 8.842 1.00 60.41 H new ATOM 0 HD3 PRO A 26 -5.933 6.913 9.450 1.00 60.41 H new ATOM 438 N LYS A 27 -7.513 8.848 5.735 1.00 71.24 N ATOM 439 CA LYS A 27 -7.529 9.918 4.718 1.00 71.51 C ATOM 440 C LYS A 27 -6.594 9.601 3.517 1.00 42.42 C ATOM 441 O LYS A 27 -6.127 10.522 2.828 1.00 13.23 O ATOM 442 CB LYS A 27 -7.101 11.254 5.396 1.00 33.02 C ATOM 443 CG LYS A 27 -7.791 11.566 6.748 1.00 72.32 C ATOM 444 CD LYS A 27 -9.320 11.772 6.629 1.00 11.11 C ATOM 445 CE LYS A 27 -9.958 12.210 7.962 1.00 60.44 C ATOM 446 NZ LYS A 27 -9.430 13.525 8.431 1.00 75.03 N ATOM 0 H LYS A 27 -6.871 9.045 6.503 1.00 71.24 H new ATOM 0 HA LYS A 27 -8.539 9.999 4.317 1.00 71.51 H new ATOM 0 HB2 LYS A 27 -6.023 11.232 5.555 1.00 33.02 H new ATOM 0 HB3 LYS A 27 -7.305 12.073 4.706 1.00 33.02 H new ATOM 0 HG2 LYS A 27 -7.596 10.750 7.443 1.00 72.32 H new ATOM 0 HG3 LYS A 27 -7.344 12.463 7.176 1.00 72.32 H new ATOM 0 HD2 LYS A 27 -9.525 12.524 5.867 1.00 11.11 H new ATOM 0 HD3 LYS A 27 -9.784 10.844 6.294 1.00 11.11 H new ATOM 0 HE2 LYS A 27 -11.039 12.276 7.842 1.00 60.44 H new ATOM 0 HE3 LYS A 27 -9.767 11.452 8.721 1.00 60.44 H new ATOM 0 HZ1 LYS A 27 -10.041 13.894 9.188 1.00 75.03 H new ATOM 0 HZ2 LYS A 27 -8.464 13.401 8.795 1.00 75.03 H new ATOM 0 HZ3 LYS A 27 -9.417 14.197 7.637 1.00 75.03 H new ATOM 460 N ALA A 28 -6.357 8.303 3.243 1.00 72.40 N ATOM 461 CA ALA A 28 -5.424 7.860 2.183 1.00 73.41 C ATOM 462 C ALA A 28 -6.248 7.581 0.918 1.00 63.21 C ATOM 463 O ALA A 28 -7.437 7.246 1.029 1.00 23.33 O ATOM 464 CB ALA A 28 -4.662 6.603 2.628 1.00 34.11 C ATOM 0 H ALA A 28 -6.803 7.535 3.745 1.00 72.40 H new ATOM 0 HA ALA A 28 -4.683 8.634 1.982 1.00 73.41 H new ATOM 0 HB1 ALA A 28 -3.981 6.291 1.836 1.00 34.11 H new ATOM 0 HB2 ALA A 28 -4.093 6.823 3.531 1.00 34.11 H new ATOM 0 HB3 ALA A 28 -5.371 5.801 2.833 1.00 34.11 H new ATOM 470 N THR A 29 -5.644 7.686 -0.277 1.00 31.12 N ATOM 471 CA THR A 29 -6.400 7.563 -1.533 1.00 22.32 C ATOM 472 C THR A 29 -6.162 6.144 -2.080 1.00 71.44 C ATOM 473 O THR A 29 -5.082 5.852 -2.602 1.00 23.31 O ATOM 474 CB THR A 29 -5.942 8.644 -2.566 1.00 53.44 C ATOM 475 OG1 THR A 29 -5.921 9.927 -1.920 1.00 31.12 O ATOM 476 CG2 THR A 29 -6.868 8.702 -3.797 1.00 62.31 C ATOM 0 H THR A 29 -4.645 7.854 -0.399 1.00 31.12 H new ATOM 0 HA THR A 29 -7.463 7.725 -1.354 1.00 22.32 H new ATOM 0 HB THR A 29 -4.947 8.373 -2.919 1.00 53.44 H new ATOM 0 HG1 THR A 29 -5.633 10.611 -2.560 1.00 31.12 H new ATOM 0 HG21 THR A 29 -6.510 9.467 -4.486 1.00 62.31 H new ATOM 0 HG22 THR A 29 -6.868 7.734 -4.298 1.00 62.31 H new ATOM 0 HG23 THR A 29 -7.882 8.946 -3.479 1.00 62.31 H new ATOM 484 N VAL A 30 -7.161 5.264 -1.910 1.00 63.02 N ATOM 485 CA VAL A 30 -7.029 3.825 -2.209 1.00 50.34 C ATOM 486 C VAL A 30 -8.010 3.426 -3.325 1.00 23.32 C ATOM 487 O VAL A 30 -9.220 3.664 -3.214 1.00 40.11 O ATOM 488 CB VAL A 30 -7.301 2.940 -0.930 1.00 3.13 C ATOM 489 CG1 VAL A 30 -7.047 1.442 -1.222 1.00 3.33 C ATOM 490 CG2 VAL A 30 -6.467 3.419 0.293 1.00 74.44 C ATOM 0 H VAL A 30 -8.083 5.527 -1.562 1.00 63.02 H new ATOM 0 HA VAL A 30 -6.004 3.648 -2.536 1.00 50.34 H new ATOM 0 HB VAL A 30 -8.353 3.060 -0.673 1.00 3.13 H new ATOM 0 HG11 VAL A 30 -7.242 0.858 -0.323 1.00 3.33 H new ATOM 0 HG12 VAL A 30 -7.709 1.110 -2.022 1.00 3.33 H new ATOM 0 HG13 VAL A 30 -6.010 1.302 -1.528 1.00 3.33 H new ATOM 0 HG21 VAL A 30 -6.683 2.784 1.152 1.00 74.44 H new ATOM 0 HG22 VAL A 30 -5.405 3.359 0.055 1.00 74.44 H new ATOM 0 HG23 VAL A 30 -6.728 4.451 0.530 1.00 74.44 H new ATOM 500 N THR A 31 -7.462 2.845 -4.394 1.00 62.45 N ATOM 501 CA THR A 31 -8.225 2.232 -5.493 1.00 64.42 C ATOM 502 C THR A 31 -7.965 0.711 -5.470 1.00 23.34 C ATOM 503 O THR A 31 -6.823 0.280 -5.246 1.00 74.31 O ATOM 504 CB THR A 31 -7.785 2.859 -6.862 1.00 42.24 C ATOM 505 OG1 THR A 31 -8.013 4.281 -6.848 1.00 71.21 O ATOM 506 CG2 THR A 31 -8.512 2.245 -8.072 1.00 43.22 C ATOM 0 H THR A 31 -6.452 2.784 -4.527 1.00 62.45 H new ATOM 0 HA THR A 31 -9.292 2.419 -5.371 1.00 64.42 H new ATOM 0 HB THR A 31 -6.723 2.639 -6.974 1.00 42.24 H new ATOM 0 HG1 THR A 31 -7.734 4.665 -7.705 1.00 71.21 H new ATOM 0 HG21 THR A 31 -8.162 2.722 -8.987 1.00 43.22 H new ATOM 0 HG22 THR A 31 -8.304 1.176 -8.118 1.00 43.22 H new ATOM 0 HG23 THR A 31 -9.586 2.401 -7.969 1.00 43.22 H new ATOM 514 N ARG A 32 -9.011 -0.112 -5.692 1.00 60.14 N ATOM 515 CA ARG A 32 -8.906 -1.580 -5.596 1.00 50.22 C ATOM 516 C ARG A 32 -8.441 -2.148 -6.943 1.00 22.30 C ATOM 517 O ARG A 32 -9.053 -1.879 -7.985 1.00 0.52 O ATOM 518 CB ARG A 32 -10.277 -2.191 -5.192 1.00 70.34 C ATOM 519 CG ARG A 32 -10.321 -3.741 -5.061 1.00 31.12 C ATOM 520 CD ARG A 32 -9.310 -4.293 -4.037 1.00 61.21 C ATOM 521 NE ARG A 32 -9.427 -5.757 -3.841 1.00 21.41 N ATOM 522 CZ ARG A 32 -8.434 -6.657 -4.021 1.00 34.22 C ATOM 523 NH1 ARG A 32 -7.223 -6.275 -4.431 1.00 21.01 N ATOM 524 NH2 ARG A 32 -8.653 -7.936 -3.759 1.00 1.25 N ATOM 0 H ARG A 32 -9.943 0.220 -5.940 1.00 60.14 H new ATOM 0 HA ARG A 32 -8.176 -1.840 -4.829 1.00 50.22 H new ATOM 0 HB2 ARG A 32 -10.579 -1.757 -4.239 1.00 70.34 H new ATOM 0 HB3 ARG A 32 -11.019 -1.887 -5.930 1.00 70.34 H new ATOM 0 HG2 ARG A 32 -11.326 -4.046 -4.770 1.00 31.12 H new ATOM 0 HG3 ARG A 32 -10.122 -4.187 -6.035 1.00 31.12 H new ATOM 0 HD2 ARG A 32 -8.299 -4.056 -4.368 1.00 61.21 H new ATOM 0 HD3 ARG A 32 -9.458 -3.791 -3.081 1.00 61.21 H new ATOM 0 HE ARG A 32 -10.334 -6.117 -3.545 1.00 21.41 H new ATOM 0 HH11 ARG A 32 -7.034 -5.290 -4.614 1.00 21.01 H new ATOM 0 HH12 ARG A 32 -6.486 -6.968 -4.561 1.00 21.01 H new ATOM 0 HH21 ARG A 32 -9.567 -8.238 -3.423 1.00 1.25 H new ATOM 0 HH22 ARG A 32 -7.907 -8.619 -3.893 1.00 1.25 H new ATOM 538 N THR A 33 -7.338 -2.901 -6.903 1.00 53.22 N ATOM 539 CA THR A 33 -6.773 -3.583 -8.070 1.00 70.35 C ATOM 540 C THR A 33 -6.255 -4.970 -7.625 1.00 1.13 C ATOM 541 O THR A 33 -5.765 -5.116 -6.500 1.00 22.10 O ATOM 542 CB THR A 33 -5.664 -2.725 -8.775 1.00 32.30 C ATOM 543 OG1 THR A 33 -5.025 -3.485 -9.816 1.00 41.51 O ATOM 544 CG2 THR A 33 -4.619 -2.188 -7.789 1.00 21.31 C ATOM 0 H THR A 33 -6.805 -3.056 -6.047 1.00 53.22 H new ATOM 0 HA THR A 33 -7.550 -3.719 -8.822 1.00 70.35 H new ATOM 0 HB THR A 33 -6.163 -1.861 -9.214 1.00 32.30 H new ATOM 0 HG1 THR A 33 -4.337 -2.936 -10.247 1.00 41.51 H new ATOM 0 HG21 THR A 33 -3.876 -1.602 -8.330 1.00 21.31 H new ATOM 0 HG22 THR A 33 -5.109 -1.557 -7.047 1.00 21.31 H new ATOM 0 HG23 THR A 33 -4.128 -3.023 -7.288 1.00 21.31 H new ATOM 552 N ASN A 34 -6.404 -5.972 -8.492 1.00 70.31 N ATOM 553 CA ASN A 34 -5.910 -7.352 -8.231 1.00 4.31 C ATOM 554 C ASN A 34 -4.523 -7.536 -8.888 1.00 12.34 C ATOM 555 O ASN A 34 -4.373 -7.304 -10.093 1.00 22.44 O ATOM 556 CB ASN A 34 -6.917 -8.407 -8.764 1.00 33.35 C ATOM 557 CG ASN A 34 -6.535 -9.856 -8.418 1.00 23.33 C ATOM 558 OD1 ASN A 34 -5.902 -10.128 -7.394 1.00 12.21 O ATOM 559 ND2 ASN A 34 -6.933 -10.797 -9.262 1.00 44.55 N ATOM 0 H ASN A 34 -6.866 -5.865 -9.395 1.00 70.31 H new ATOM 0 HA ASN A 34 -5.815 -7.498 -7.155 1.00 4.31 H new ATOM 0 HB2 ASN A 34 -7.904 -8.193 -8.355 1.00 33.35 H new ATOM 0 HB3 ASN A 34 -6.993 -8.309 -9.847 1.00 33.35 H new ATOM 0 HD21 ASN A 34 -6.718 -11.776 -9.073 1.00 44.55 H new ATOM 0 HD22 ASN A 34 -7.455 -10.542 -10.101 1.00 44.55 H new ATOM 566 N GLY A 35 -3.515 -7.932 -8.080 1.00 64.33 N ATOM 567 CA GLY A 35 -2.130 -8.104 -8.555 1.00 44.23 C ATOM 568 C GLY A 35 -1.235 -6.945 -8.133 1.00 62.45 C ATOM 569 O GLY A 35 -0.029 -7.123 -7.918 1.00 32.35 O ATOM 0 H GLY A 35 -3.640 -8.139 -7.089 1.00 64.33 H new ATOM 0 HA2 GLY A 35 -1.725 -9.037 -8.162 1.00 44.23 H new ATOM 0 HA3 GLY A 35 -2.127 -8.188 -9.642 1.00 44.23 H new ATOM 573 N ASP A 36 -1.835 -5.755 -8.017 1.00 71.33 N ATOM 574 CA ASP A 36 -1.155 -4.529 -7.553 1.00 10.14 C ATOM 575 C ASP A 36 -1.908 -3.951 -6.343 1.00 71.45 C ATOM 576 O ASP A 36 -2.967 -4.458 -5.953 1.00 63.33 O ATOM 577 CB ASP A 36 -1.095 -3.458 -8.686 1.00 33.10 C ATOM 578 CG ASP A 36 -0.272 -3.896 -9.909 1.00 3.14 C ATOM 579 OD1 ASP A 36 -0.840 -4.517 -10.838 1.00 31.20 O ATOM 580 OD2 ASP A 36 0.942 -3.620 -9.956 1.00 13.34 O ATOM 0 H ASP A 36 -2.819 -5.609 -8.244 1.00 71.33 H new ATOM 0 HA ASP A 36 -0.135 -4.789 -7.269 1.00 10.14 H new ATOM 0 HB2 ASP A 36 -2.110 -3.225 -9.007 1.00 33.10 H new ATOM 0 HB3 ASP A 36 -0.669 -2.539 -8.283 1.00 33.10 H new ATOM 585 N ILE A 37 -1.327 -2.908 -5.747 1.00 25.11 N ATOM 586 CA ILE A 37 -2.009 -2.030 -4.774 1.00 22.41 C ATOM 587 C ILE A 37 -1.933 -0.606 -5.307 1.00 44.31 C ATOM 588 O ILE A 37 -0.845 -0.136 -5.642 1.00 13.23 O ATOM 589 CB ILE A 37 -1.374 -2.100 -3.336 1.00 41.01 C ATOM 590 CG1 ILE A 37 -1.530 -3.530 -2.751 1.00 61.11 C ATOM 591 CG2 ILE A 37 -1.984 -1.038 -2.373 1.00 10.14 C ATOM 592 CD1 ILE A 37 -2.966 -3.994 -2.602 1.00 53.42 C ATOM 0 H ILE A 37 -0.359 -2.640 -5.923 1.00 25.11 H new ATOM 0 HA ILE A 37 -3.041 -2.364 -4.667 1.00 22.41 H new ATOM 0 HB ILE A 37 -0.313 -1.869 -3.432 1.00 41.01 H new ATOM 0 HG12 ILE A 37 -0.999 -4.232 -3.394 1.00 61.11 H new ATOM 0 HG13 ILE A 37 -1.047 -3.564 -1.774 1.00 61.11 H new ATOM 0 HG21 ILE A 37 -1.515 -1.124 -1.393 1.00 10.14 H new ATOM 0 HG22 ILE A 37 -1.807 -0.040 -2.773 1.00 10.14 H new ATOM 0 HG23 ILE A 37 -3.057 -1.206 -2.278 1.00 10.14 H new ATOM 0 HD11 ILE A 37 -2.982 -5.002 -2.187 1.00 53.42 H new ATOM 0 HD12 ILE A 37 -3.499 -3.318 -1.934 1.00 53.42 H new ATOM 0 HD13 ILE A 37 -3.451 -3.996 -3.578 1.00 53.42 H new ATOM 604 N LYS A 38 -3.082 0.068 -5.402 1.00 33.04 N ATOM 605 CA LYS A 38 -3.163 1.425 -5.937 1.00 62.45 C ATOM 606 C LYS A 38 -3.408 2.386 -4.762 1.00 51.31 C ATOM 607 O LYS A 38 -4.489 2.398 -4.163 1.00 53.51 O ATOM 608 CB LYS A 38 -4.296 1.489 -7.009 1.00 24.35 C ATOM 609 CG LYS A 38 -4.094 2.552 -8.104 1.00 63.03 C ATOM 610 CD LYS A 38 -2.823 2.291 -8.944 1.00 53.12 C ATOM 611 CE LYS A 38 -2.702 3.253 -10.134 1.00 21.15 C ATOM 612 NZ LYS A 38 -2.656 4.680 -9.706 1.00 22.12 N ATOM 0 H LYS A 38 -3.981 -0.314 -5.109 1.00 33.04 H new ATOM 0 HA LYS A 38 -2.237 1.718 -6.432 1.00 62.45 H new ATOM 0 HB2 LYS A 38 -4.383 0.512 -7.484 1.00 24.35 H new ATOM 0 HB3 LYS A 38 -5.243 1.683 -6.505 1.00 24.35 H new ATOM 0 HG2 LYS A 38 -4.964 2.565 -8.760 1.00 63.03 H new ATOM 0 HG3 LYS A 38 -4.027 3.538 -7.643 1.00 63.03 H new ATOM 0 HD2 LYS A 38 -1.943 2.391 -8.308 1.00 53.12 H new ATOM 0 HD3 LYS A 38 -2.837 1.264 -9.310 1.00 53.12 H new ATOM 0 HE2 LYS A 38 -1.801 3.016 -10.699 1.00 21.15 H new ATOM 0 HE3 LYS A 38 -3.548 3.105 -10.806 1.00 21.15 H new ATOM 0 HZ1 LYS A 38 -2.168 5.244 -10.431 1.00 22.12 H new ATOM 0 HZ2 LYS A 38 -3.625 5.037 -9.584 1.00 22.12 H new ATOM 0 HZ3 LYS A 38 -2.143 4.756 -8.805 1.00 22.12 H new ATOM 626 N LEU A 39 -2.366 3.148 -4.417 1.00 42.31 N ATOM 627 CA LEU A 39 -2.365 4.079 -3.279 1.00 53.32 C ATOM 628 C LEU A 39 -1.732 5.401 -3.729 1.00 33.24 C ATOM 629 O LEU A 39 -0.896 5.405 -4.633 1.00 13.45 O ATOM 630 CB LEU A 39 -1.577 3.450 -2.086 1.00 22.35 C ATOM 631 CG LEU A 39 -1.488 4.300 -0.773 1.00 3.21 C ATOM 632 CD1 LEU A 39 -2.883 4.639 -0.216 1.00 15.23 C ATOM 633 CD2 LEU A 39 -0.618 3.593 0.286 1.00 52.52 C ATOM 0 H LEU A 39 -1.483 3.137 -4.928 1.00 42.31 H new ATOM 0 HA LEU A 39 -3.383 4.272 -2.942 1.00 53.32 H new ATOM 0 HB2 LEU A 39 -2.038 2.493 -1.841 1.00 22.35 H new ATOM 0 HB3 LEU A 39 -0.562 3.238 -2.423 1.00 22.35 H new ATOM 0 HG LEU A 39 -1.006 5.244 -1.027 1.00 3.21 H new ATOM 0 HD11 LEU A 39 -2.778 5.229 0.694 1.00 15.23 H new ATOM 0 HD12 LEU A 39 -3.441 5.211 -0.957 1.00 15.23 H new ATOM 0 HD13 LEU A 39 -3.419 3.717 0.009 1.00 15.23 H new ATOM 0 HD21 LEU A 39 -0.573 4.205 1.187 1.00 52.52 H new ATOM 0 HD22 LEU A 39 -1.054 2.623 0.527 1.00 52.52 H new ATOM 0 HD23 LEU A 39 0.389 3.451 -0.106 1.00 52.52 H new ATOM 645 N ASP A 40 -2.171 6.517 -3.136 1.00 50.43 N ATOM 646 CA ASP A 40 -1.562 7.843 -3.362 1.00 14.43 C ATOM 647 C ASP A 40 -1.267 8.521 -2.015 1.00 32.41 C ATOM 648 O ASP A 40 -2.141 8.581 -1.132 1.00 73.32 O ATOM 649 CB ASP A 40 -2.465 8.746 -4.240 1.00 70.33 C ATOM 650 CG ASP A 40 -1.833 10.125 -4.527 1.00 3.21 C ATOM 651 OD1 ASP A 40 -0.916 10.210 -5.373 1.00 73.50 O ATOM 652 OD2 ASP A 40 -2.229 11.135 -3.893 1.00 12.12 O ATOM 0 H ASP A 40 -2.957 6.532 -2.486 1.00 50.43 H new ATOM 0 HA ASP A 40 -0.626 7.696 -3.902 1.00 14.43 H new ATOM 0 HB2 ASP A 40 -2.668 8.241 -5.184 1.00 70.33 H new ATOM 0 HB3 ASP A 40 -3.424 8.887 -3.742 1.00 70.33 H new ATOM 657 N ALA A 41 -0.026 9.004 -1.883 1.00 31.00 N ATOM 658 CA ALA A 41 0.450 9.770 -0.721 1.00 62.31 C ATOM 659 C ALA A 41 0.591 11.263 -1.076 1.00 52.30 C ATOM 660 O ALA A 41 0.895 11.616 -2.228 1.00 11.32 O ATOM 661 CB ALA A 41 1.798 9.204 -0.234 1.00 21.12 C ATOM 0 H ALA A 41 0.692 8.871 -2.595 1.00 31.00 H new ATOM 0 HA ALA A 41 -0.282 9.678 0.081 1.00 62.31 H new ATOM 0 HB1 ALA A 41 2.144 9.777 0.627 1.00 21.12 H new ATOM 0 HB2 ALA A 41 1.672 8.160 0.052 1.00 21.12 H new ATOM 0 HB3 ALA A 41 2.533 9.275 -1.036 1.00 21.12 H new ATOM 667 N GLN A 42 0.385 12.127 -0.065 1.00 54.54 N ATOM 668 CA GLN A 42 0.519 13.594 -0.182 1.00 3.44 C ATOM 669 C GLN A 42 1.972 14.010 -0.479 1.00 63.50 C ATOM 670 O GLN A 42 2.217 14.942 -1.248 1.00 51.32 O ATOM 671 CB GLN A 42 0.025 14.265 1.132 1.00 51.34 C ATOM 672 CG GLN A 42 0.240 15.804 1.243 1.00 61.04 C ATOM 673 CD GLN A 42 -0.709 16.705 0.426 1.00 3.42 C ATOM 674 OE1 GLN A 42 -0.956 17.846 0.812 1.00 25.44 O ATOM 675 NE2 GLN A 42 -1.256 16.232 -0.683 1.00 0.03 N ATOM 0 H GLN A 42 0.117 11.823 0.871 1.00 54.54 H new ATOM 0 HA GLN A 42 -0.094 13.928 -1.019 1.00 3.44 H new ATOM 0 HB2 GLN A 42 -1.040 14.059 1.242 1.00 51.34 H new ATOM 0 HB3 GLN A 42 0.530 13.787 1.971 1.00 51.34 H new ATOM 0 HG2 GLN A 42 0.152 16.083 2.293 1.00 61.04 H new ATOM 0 HG3 GLN A 42 1.263 16.026 0.939 1.00 61.04 H new ATOM 0 HE21 GLN A 42 -1.043 15.284 -0.992 1.00 0.03 H new ATOM 0 HE22 GLN A 42 -1.890 16.816 -1.228 1.00 0.03 H new ATOM 684 N THR A 43 2.907 13.302 0.150 1.00 35.42 N ATOM 685 CA THR A 43 4.344 13.595 0.088 1.00 71.03 C ATOM 686 C THR A 43 5.131 12.286 0.204 1.00 53.02 C ATOM 687 O THR A 43 4.569 11.252 0.589 1.00 72.21 O ATOM 688 CB THR A 43 4.762 14.599 1.225 1.00 45.42 C ATOM 689 OG1 THR A 43 6.189 14.719 1.313 1.00 65.21 O ATOM 690 CG2 THR A 43 4.198 14.198 2.602 1.00 0.10 C ATOM 0 H THR A 43 2.687 12.492 0.729 1.00 35.42 H new ATOM 0 HA THR A 43 4.571 14.068 -0.868 1.00 71.03 H new ATOM 0 HB THR A 43 4.333 15.563 0.950 1.00 45.42 H new ATOM 0 HG1 THR A 43 6.421 15.350 2.026 1.00 65.21 H new ATOM 0 HG21 THR A 43 4.516 14.924 3.351 1.00 0.10 H new ATOM 0 HG22 THR A 43 3.109 14.176 2.557 1.00 0.10 H new ATOM 0 HG23 THR A 43 4.569 13.210 2.874 1.00 0.10 H new ATOM 698 N GLU A 44 6.428 12.334 -0.154 1.00 5.21 N ATOM 699 CA GLU A 44 7.361 11.217 0.046 1.00 44.40 C ATOM 700 C GLU A 44 7.499 10.893 1.543 1.00 55.14 C ATOM 701 O GLU A 44 7.617 9.730 1.906 1.00 21.50 O ATOM 702 CB GLU A 44 8.751 11.550 -0.540 1.00 73.34 C ATOM 703 CG GLU A 44 8.795 11.748 -2.068 1.00 62.13 C ATOM 704 CD GLU A 44 8.518 10.483 -2.909 1.00 34.35 C ATOM 705 OE1 GLU A 44 8.638 9.339 -2.393 1.00 34.04 O ATOM 706 OE2 GLU A 44 8.221 10.628 -4.122 1.00 11.11 O ATOM 0 H GLU A 44 6.856 13.151 -0.590 1.00 5.21 H new ATOM 0 HA GLU A 44 6.958 10.348 -0.474 1.00 44.40 H new ATOM 0 HB2 GLU A 44 9.120 12.458 -0.062 1.00 73.34 H new ATOM 0 HB3 GLU A 44 9.440 10.748 -0.275 1.00 73.34 H new ATOM 0 HG2 GLU A 44 8.065 12.511 -2.339 1.00 62.13 H new ATOM 0 HG3 GLU A 44 9.777 12.136 -2.339 1.00 62.13 H new ATOM 713 N LYS A 45 7.433 11.942 2.382 1.00 1.22 N ATOM 714 CA LYS A 45 7.550 11.838 3.851 1.00 41.12 C ATOM 715 C LYS A 45 6.432 10.959 4.447 1.00 71.54 C ATOM 716 O LYS A 45 6.640 10.267 5.452 1.00 11.14 O ATOM 717 CB LYS A 45 7.509 13.257 4.479 1.00 73.32 C ATOM 718 CG LYS A 45 8.587 14.227 3.950 1.00 50.31 C ATOM 719 CD LYS A 45 10.028 13.720 4.207 1.00 22.44 C ATOM 720 CE LYS A 45 11.094 14.653 3.626 1.00 13.43 C ATOM 721 NZ LYS A 45 12.463 14.126 3.857 1.00 3.44 N ATOM 0 H LYS A 45 7.295 12.899 2.057 1.00 1.22 H new ATOM 0 HA LYS A 45 8.503 11.363 4.084 1.00 41.12 H new ATOM 0 HB2 LYS A 45 6.527 13.692 4.296 1.00 73.32 H new ATOM 0 HB3 LYS A 45 7.621 13.165 5.559 1.00 73.32 H new ATOM 0 HG2 LYS A 45 8.444 14.374 2.879 1.00 50.31 H new ATOM 0 HG3 LYS A 45 8.459 15.200 4.425 1.00 50.31 H new ATOM 0 HD2 LYS A 45 10.187 13.617 5.280 1.00 22.44 H new ATOM 0 HD3 LYS A 45 10.143 12.727 3.771 1.00 22.44 H new ATOM 0 HE2 LYS A 45 10.926 14.777 2.556 1.00 13.43 H new ATOM 0 HE3 LYS A 45 11.002 15.640 4.080 1.00 13.43 H new ATOM 0 HZ1 LYS A 45 13.161 14.782 3.451 1.00 3.44 H new ATOM 0 HZ2 LYS A 45 12.631 14.031 4.879 1.00 3.44 H new ATOM 0 HZ3 LYS A 45 12.558 13.195 3.403 1.00 3.44 H new ATOM 735 N GLU A 46 5.256 10.999 3.805 1.00 43.13 N ATOM 736 CA GLU A 46 4.097 10.185 4.187 1.00 55.31 C ATOM 737 C GLU A 46 4.209 8.805 3.511 1.00 51.21 C ATOM 738 O GLU A 46 3.910 7.782 4.126 1.00 62.42 O ATOM 739 CB GLU A 46 2.791 10.914 3.778 1.00 63.45 C ATOM 740 CG GLU A 46 1.482 10.178 4.145 1.00 0.53 C ATOM 741 CD GLU A 46 0.221 10.989 3.800 1.00 22.41 C ATOM 742 OE1 GLU A 46 -0.267 10.905 2.654 1.00 42.23 O ATOM 743 OE2 GLU A 46 -0.276 11.738 4.671 1.00 30.03 O ATOM 0 H GLU A 46 5.083 11.602 3.001 1.00 43.13 H new ATOM 0 HA GLU A 46 4.074 10.040 5.267 1.00 55.31 H new ATOM 0 HB2 GLU A 46 2.780 11.897 4.249 1.00 63.45 H new ATOM 0 HB3 GLU A 46 2.807 11.077 2.700 1.00 63.45 H new ATOM 0 HG2 GLU A 46 1.449 9.223 3.620 1.00 0.53 H new ATOM 0 HG3 GLU A 46 1.484 9.955 5.212 1.00 0.53 H new ATOM 750 N ALA A 47 4.669 8.812 2.240 1.00 3.44 N ATOM 751 CA ALA A 47 4.875 7.598 1.416 1.00 23.53 C ATOM 752 C ALA A 47 5.880 6.614 2.037 1.00 52.42 C ATOM 753 O ALA A 47 5.764 5.411 1.812 1.00 14.24 O ATOM 754 CB ALA A 47 5.334 7.991 0.003 1.00 65.11 C ATOM 0 H ALA A 47 4.911 9.673 1.750 1.00 3.44 H new ATOM 0 HA ALA A 47 3.915 7.084 1.368 1.00 23.53 H new ATOM 0 HB1 ALA A 47 5.483 7.092 -0.595 1.00 65.11 H new ATOM 0 HB2 ALA A 47 4.574 8.617 -0.466 1.00 65.11 H new ATOM 0 HB3 ALA A 47 6.271 8.544 0.066 1.00 65.11 H new ATOM 760 N GLU A 48 6.867 7.147 2.787 1.00 0.33 N ATOM 761 CA GLU A 48 7.879 6.341 3.495 1.00 74.32 C ATOM 762 C GLU A 48 7.213 5.430 4.531 1.00 42.34 C ATOM 763 O GLU A 48 7.516 4.243 4.617 1.00 33.42 O ATOM 764 CB GLU A 48 8.926 7.252 4.209 1.00 74.43 C ATOM 765 CG GLU A 48 9.857 8.056 3.279 1.00 65.34 C ATOM 766 CD GLU A 48 10.708 7.171 2.354 1.00 41.14 C ATOM 767 OE1 GLU A 48 11.803 6.729 2.771 1.00 70.44 O ATOM 768 OE2 GLU A 48 10.279 6.894 1.210 1.00 4.31 O ATOM 0 H GLU A 48 6.983 8.152 2.918 1.00 0.33 H new ATOM 0 HA GLU A 48 8.391 5.731 2.751 1.00 74.32 H new ATOM 0 HB2 GLU A 48 8.393 7.952 4.852 1.00 74.43 H new ATOM 0 HB3 GLU A 48 9.541 6.628 4.858 1.00 74.43 H new ATOM 0 HG2 GLU A 48 9.256 8.732 2.671 1.00 65.34 H new ATOM 0 HG3 GLU A 48 10.518 8.676 3.886 1.00 65.34 H new ATOM 775 N LYS A 49 6.303 6.026 5.303 1.00 55.45 N ATOM 776 CA LYS A 49 5.619 5.370 6.424 1.00 21.11 C ATOM 777 C LYS A 49 4.485 4.453 5.898 1.00 65.33 C ATOM 778 O LYS A 49 4.260 3.362 6.436 1.00 23.15 O ATOM 779 CB LYS A 49 5.083 6.475 7.372 1.00 1.20 C ATOM 780 CG LYS A 49 6.170 7.491 7.794 1.00 4.13 C ATOM 781 CD LYS A 49 5.627 8.666 8.636 1.00 4.41 C ATOM 782 CE LYS A 49 6.728 9.690 8.967 1.00 51.45 C ATOM 783 NZ LYS A 49 6.241 10.785 9.839 1.00 12.11 N ATOM 0 H LYS A 49 6.014 6.995 5.166 1.00 55.45 H new ATOM 0 HA LYS A 49 6.307 4.731 6.978 1.00 21.11 H new ATOM 0 HB2 LYS A 49 4.270 7.006 6.878 1.00 1.20 H new ATOM 0 HB3 LYS A 49 4.664 6.009 8.264 1.00 1.20 H new ATOM 0 HG2 LYS A 49 6.939 6.971 8.365 1.00 4.13 H new ATOM 0 HG3 LYS A 49 6.651 7.888 6.900 1.00 4.13 H new ATOM 0 HD2 LYS A 49 4.822 9.161 8.093 1.00 4.41 H new ATOM 0 HD3 LYS A 49 5.198 8.282 9.561 1.00 4.41 H new ATOM 0 HE2 LYS A 49 7.558 9.181 9.458 1.00 51.45 H new ATOM 0 HE3 LYS A 49 7.117 10.113 8.041 1.00 51.45 H new ATOM 0 HZ1 LYS A 49 7.019 11.447 10.032 1.00 12.11 H new ATOM 0 HZ2 LYS A 49 5.467 11.290 9.362 1.00 12.11 H new ATOM 0 HZ3 LYS A 49 5.894 10.387 10.735 1.00 12.11 H new ATOM 797 N MET A 50 3.763 4.969 4.883 1.00 71.45 N ATOM 798 CA MET A 50 2.716 4.218 4.128 1.00 55.34 C ATOM 799 C MET A 50 3.254 2.866 3.639 1.00 64.10 C ATOM 800 O MET A 50 2.763 1.807 4.056 1.00 32.24 O ATOM 801 CB MET A 50 2.136 5.039 2.935 1.00 64.12 C ATOM 802 CG MET A 50 1.101 6.102 3.326 1.00 13.00 C ATOM 803 SD MET A 50 0.280 6.812 1.884 1.00 74.41 S ATOM 804 CE MET A 50 -1.127 7.613 2.643 1.00 23.13 C ATOM 0 H MET A 50 3.885 5.927 4.554 1.00 71.45 H new ATOM 0 HA MET A 50 1.897 4.039 4.824 1.00 55.34 H new ATOM 0 HB2 MET A 50 2.960 5.528 2.415 1.00 64.12 H new ATOM 0 HB3 MET A 50 1.677 4.349 2.227 1.00 64.12 H new ATOM 0 HG2 MET A 50 0.355 5.657 3.985 1.00 13.00 H new ATOM 0 HG3 MET A 50 1.592 6.895 3.890 1.00 13.00 H new ATOM 0 HE1 MET A 50 -1.719 8.112 1.876 1.00 23.13 H new ATOM 0 HE2 MET A 50 -1.741 6.868 3.148 1.00 23.13 H new ATOM 0 HE3 MET A 50 -0.779 8.349 3.368 1.00 23.13 H new ATOM 814 N GLU A 51 4.273 2.919 2.769 1.00 54.22 N ATOM 815 CA GLU A 51 4.913 1.721 2.213 1.00 33.11 C ATOM 816 C GLU A 51 5.548 0.840 3.321 1.00 72.02 C ATOM 817 O GLU A 51 5.671 -0.370 3.154 1.00 61.05 O ATOM 818 CB GLU A 51 5.983 2.117 1.155 1.00 12.54 C ATOM 819 CG GLU A 51 7.303 2.660 1.741 1.00 21.42 C ATOM 820 CD GLU A 51 8.411 2.840 0.698 1.00 55.34 C ATOM 821 OE1 GLU A 51 8.817 1.828 0.082 1.00 12.31 O ATOM 822 OE2 GLU A 51 8.898 3.976 0.509 1.00 4.23 O ATOM 0 H GLU A 51 4.675 3.794 2.432 1.00 54.22 H new ATOM 0 HA GLU A 51 4.136 1.130 1.728 1.00 33.11 H new ATOM 0 HB2 GLU A 51 6.206 1.245 0.541 1.00 12.54 H new ATOM 0 HB3 GLU A 51 5.558 2.872 0.494 1.00 12.54 H new ATOM 0 HG2 GLU A 51 7.110 3.619 2.222 1.00 21.42 H new ATOM 0 HG3 GLU A 51 7.653 1.979 2.517 1.00 21.42 H new ATOM 829 N LYS A 52 5.956 1.478 4.439 1.00 15.23 N ATOM 830 CA LYS A 52 6.592 0.798 5.588 1.00 14.54 C ATOM 831 C LYS A 52 5.581 -0.116 6.304 1.00 21.22 C ATOM 832 O LYS A 52 5.940 -1.210 6.747 1.00 72.22 O ATOM 833 CB LYS A 52 7.175 1.859 6.554 1.00 70.40 C ATOM 834 CG LYS A 52 8.036 1.332 7.722 1.00 40.11 C ATOM 835 CD LYS A 52 8.580 2.493 8.596 1.00 4.43 C ATOM 836 CE LYS A 52 9.495 2.026 9.743 1.00 35.43 C ATOM 837 NZ LYS A 52 10.751 1.388 9.252 1.00 44.34 N ATOM 0 H LYS A 52 5.853 2.484 4.570 1.00 15.23 H new ATOM 0 HA LYS A 52 7.406 0.167 5.231 1.00 14.54 H new ATOM 0 HB2 LYS A 52 7.780 2.554 5.972 1.00 70.40 H new ATOM 0 HB3 LYS A 52 6.347 2.431 6.972 1.00 70.40 H new ATOM 0 HG2 LYS A 52 7.441 0.659 8.339 1.00 40.11 H new ATOM 0 HG3 LYS A 52 8.869 0.751 7.328 1.00 40.11 H new ATOM 0 HD2 LYS A 52 9.132 3.186 7.961 1.00 4.43 H new ATOM 0 HD3 LYS A 52 7.739 3.045 9.015 1.00 4.43 H new ATOM 0 HE2 LYS A 52 9.747 2.880 10.372 1.00 35.43 H new ATOM 0 HE3 LYS A 52 8.953 1.318 10.370 1.00 35.43 H new ATOM 0 HZ1 LYS A 52 11.353 1.138 10.062 1.00 44.34 H new ATOM 0 HZ2 LYS A 52 10.517 0.528 8.716 1.00 44.34 H new ATOM 0 HZ3 LYS A 52 11.260 2.053 8.635 1.00 44.34 H new ATOM 851 N ALA A 53 4.330 0.370 6.434 1.00 3.33 N ATOM 852 CA ALA A 53 3.208 -0.403 7.011 1.00 45.32 C ATOM 853 C ALA A 53 2.881 -1.635 6.142 1.00 74.23 C ATOM 854 O ALA A 53 2.552 -2.707 6.664 1.00 45.24 O ATOM 855 CB ALA A 53 1.978 0.505 7.183 1.00 72.52 C ATOM 0 H ALA A 53 4.067 1.311 6.142 1.00 3.33 H new ATOM 0 HA ALA A 53 3.504 -0.770 7.994 1.00 45.32 H new ATOM 0 HB1 ALA A 53 1.157 -0.072 7.608 1.00 72.52 H new ATOM 0 HB2 ALA A 53 2.226 1.330 7.850 1.00 72.52 H new ATOM 0 HB3 ALA A 53 1.679 0.901 6.212 1.00 72.52 H new ATOM 861 N VAL A 54 2.974 -1.444 4.814 1.00 51.00 N ATOM 862 CA VAL A 54 2.829 -2.520 3.811 1.00 54.11 C ATOM 863 C VAL A 54 3.870 -3.649 4.047 1.00 2.03 C ATOM 864 O VAL A 54 3.541 -4.840 3.977 1.00 42.05 O ATOM 865 CB VAL A 54 3.005 -1.927 2.358 1.00 12.14 C ATOM 866 CG1 VAL A 54 2.974 -3.016 1.268 1.00 30.30 C ATOM 867 CG2 VAL A 54 1.960 -0.818 2.071 1.00 13.32 C ATOM 0 H VAL A 54 3.154 -0.529 4.400 1.00 51.00 H new ATOM 0 HA VAL A 54 1.831 -2.947 3.913 1.00 54.11 H new ATOM 0 HB VAL A 54 3.996 -1.475 2.324 1.00 12.14 H new ATOM 0 HG11 VAL A 54 3.099 -2.554 0.289 1.00 30.30 H new ATOM 0 HG12 VAL A 54 3.783 -3.726 1.440 1.00 30.30 H new ATOM 0 HG13 VAL A 54 2.018 -3.539 1.303 1.00 30.30 H new ATOM 0 HG21 VAL A 54 2.108 -0.431 1.063 1.00 13.32 H new ATOM 0 HG22 VAL A 54 0.956 -1.233 2.156 1.00 13.32 H new ATOM 0 HG23 VAL A 54 2.080 -0.009 2.792 1.00 13.32 H new ATOM 877 N LYS A 55 5.132 -3.228 4.278 1.00 23.11 N ATOM 878 CA LYS A 55 6.282 -4.143 4.529 1.00 74.10 C ATOM 879 C LYS A 55 6.056 -5.125 5.718 1.00 42.11 C ATOM 880 O LYS A 55 6.731 -6.157 5.787 1.00 70.42 O ATOM 881 CB LYS A 55 7.591 -3.338 4.749 1.00 31.14 C ATOM 882 CG LYS A 55 7.997 -2.409 3.578 1.00 20.00 C ATOM 883 CD LYS A 55 9.204 -1.505 3.936 1.00 53.13 C ATOM 884 CE LYS A 55 9.355 -0.275 3.013 1.00 43.51 C ATOM 885 NZ LYS A 55 9.566 -0.635 1.585 1.00 52.15 N ATOM 0 H LYS A 55 5.390 -2.241 4.297 1.00 23.11 H new ATOM 0 HA LYS A 55 6.371 -4.755 3.632 1.00 74.10 H new ATOM 0 HB2 LYS A 55 7.481 -2.734 5.650 1.00 31.14 H new ATOM 0 HB3 LYS A 55 8.404 -4.040 4.934 1.00 31.14 H new ATOM 0 HG2 LYS A 55 8.245 -3.014 2.706 1.00 20.00 H new ATOM 0 HG3 LYS A 55 7.148 -1.785 3.301 1.00 20.00 H new ATOM 0 HD2 LYS A 55 9.098 -1.164 4.966 1.00 53.13 H new ATOM 0 HD3 LYS A 55 10.117 -2.098 3.888 1.00 53.13 H new ATOM 0 HE2 LYS A 55 8.463 0.345 3.096 1.00 43.51 H new ATOM 0 HE3 LYS A 55 10.195 0.328 3.357 1.00 43.51 H new ATOM 0 HZ1 LYS A 55 9.262 0.154 0.979 1.00 52.15 H new ATOM 0 HZ2 LYS A 55 10.575 -0.828 1.421 1.00 52.15 H new ATOM 0 HZ3 LYS A 55 9.009 -1.483 1.355 1.00 52.15 H new ATOM 899 N LYS A 56 5.127 -4.800 6.650 1.00 34.33 N ATOM 900 CA LYS A 56 4.741 -5.722 7.755 1.00 60.52 C ATOM 901 C LYS A 56 4.048 -6.985 7.192 1.00 0.14 C ATOM 902 O LYS A 56 4.284 -8.100 7.674 1.00 31.22 O ATOM 903 CB LYS A 56 3.803 -5.032 8.801 1.00 63.02 C ATOM 904 CG LYS A 56 4.488 -4.139 9.857 1.00 3.52 C ATOM 905 CD LYS A 56 5.158 -2.893 9.261 1.00 22.20 C ATOM 906 CE LYS A 56 5.827 -2.009 10.318 1.00 34.24 C ATOM 907 NZ LYS A 56 6.622 -0.930 9.692 1.00 3.25 N ATOM 0 H LYS A 56 4.630 -3.909 6.662 1.00 34.33 H new ATOM 0 HA LYS A 56 5.661 -6.006 8.266 1.00 60.52 H new ATOM 0 HB2 LYS A 56 3.077 -4.425 8.260 1.00 63.02 H new ATOM 0 HB3 LYS A 56 3.244 -5.809 9.322 1.00 63.02 H new ATOM 0 HG2 LYS A 56 3.747 -3.827 10.593 1.00 3.52 H new ATOM 0 HG3 LYS A 56 5.237 -4.726 10.388 1.00 3.52 H new ATOM 0 HD2 LYS A 56 5.904 -3.203 8.530 1.00 22.20 H new ATOM 0 HD3 LYS A 56 4.411 -2.307 8.725 1.00 22.20 H new ATOM 0 HE2 LYS A 56 5.066 -1.574 10.966 1.00 34.24 H new ATOM 0 HE3 LYS A 56 6.472 -2.619 10.950 1.00 34.24 H new ATOM 0 HZ1 LYS A 56 7.617 -1.019 9.981 1.00 3.25 H new ATOM 0 HZ2 LYS A 56 6.554 -1.005 8.657 1.00 3.25 H new ATOM 0 HZ3 LYS A 56 6.254 -0.006 9.997 1.00 3.25 H new ATOM 921 N VAL A 57 3.191 -6.781 6.174 1.00 75.42 N ATOM 922 CA VAL A 57 2.451 -7.870 5.502 1.00 0.43 C ATOM 923 C VAL A 57 3.398 -8.676 4.573 1.00 60.52 C ATOM 924 O VAL A 57 3.202 -9.878 4.355 1.00 65.11 O ATOM 925 CB VAL A 57 1.234 -7.299 4.666 1.00 15.42 C ATOM 926 CG1 VAL A 57 0.342 -8.429 4.092 1.00 40.22 C ATOM 927 CG2 VAL A 57 0.395 -6.300 5.502 1.00 4.31 C ATOM 0 H VAL A 57 2.991 -5.856 5.793 1.00 75.42 H new ATOM 0 HA VAL A 57 2.059 -8.533 6.273 1.00 0.43 H new ATOM 0 HB VAL A 57 1.657 -6.759 3.819 1.00 15.42 H new ATOM 0 HG11 VAL A 57 -0.480 -7.991 3.526 1.00 40.22 H new ATOM 0 HG12 VAL A 57 0.937 -9.064 3.436 1.00 40.22 H new ATOM 0 HG13 VAL A 57 -0.059 -9.027 4.910 1.00 40.22 H new ATOM 0 HG21 VAL A 57 -0.433 -5.926 4.899 1.00 4.31 H new ATOM 0 HG22 VAL A 57 0.002 -6.804 6.385 1.00 4.31 H new ATOM 0 HG23 VAL A 57 1.025 -5.466 5.811 1.00 4.31 H new ATOM 937 N LYS A 58 4.443 -7.996 4.054 1.00 41.30 N ATOM 938 CA LYS A 58 5.365 -8.556 3.043 1.00 62.15 C ATOM 939 C LYS A 58 6.772 -7.913 3.153 1.00 42.11 C ATOM 940 O LYS A 58 6.932 -6.747 2.802 1.00 54.32 O ATOM 941 CB LYS A 58 4.784 -8.369 1.594 1.00 12.34 C ATOM 942 CG LYS A 58 3.949 -7.075 1.379 1.00 73.24 C ATOM 943 CD LYS A 58 3.663 -6.751 -0.108 1.00 15.41 C ATOM 944 CE LYS A 58 3.186 -7.966 -0.916 1.00 72.25 C ATOM 945 NZ LYS A 58 1.974 -8.584 -0.330 1.00 14.32 N ATOM 0 H LYS A 58 4.671 -7.040 4.326 1.00 41.30 H new ATOM 0 HA LYS A 58 5.466 -9.624 3.238 1.00 62.15 H new ATOM 0 HB2 LYS A 58 5.612 -8.371 0.885 1.00 12.34 H new ATOM 0 HB3 LYS A 58 4.159 -9.230 1.356 1.00 12.34 H new ATOM 0 HG2 LYS A 58 3.001 -7.174 1.908 1.00 73.24 H new ATOM 0 HG3 LYS A 58 4.478 -6.234 1.828 1.00 73.24 H new ATOM 0 HD2 LYS A 58 2.907 -5.968 -0.163 1.00 15.41 H new ATOM 0 HD3 LYS A 58 4.568 -6.352 -0.566 1.00 15.41 H new ATOM 0 HE2 LYS A 58 2.977 -7.660 -1.941 1.00 72.25 H new ATOM 0 HE3 LYS A 58 3.984 -8.707 -0.961 1.00 72.25 H new ATOM 0 HZ1 LYS A 58 1.551 -9.239 -1.018 1.00 14.32 H new ATOM 0 HZ2 LYS A 58 2.233 -9.107 0.531 1.00 14.32 H new ATOM 0 HZ3 LYS A 58 1.287 -7.841 -0.091 1.00 14.32 H new ATOM 959 N PRO A 59 7.820 -8.650 3.662 1.00 21.31 N ATOM 960 CA PRO A 59 9.236 -8.182 3.603 1.00 73.51 C ATOM 961 C PRO A 59 9.803 -8.261 2.164 1.00 71.02 C ATOM 962 O PRO A 59 10.827 -7.650 1.853 1.00 64.24 O ATOM 963 CB PRO A 59 9.970 -9.142 4.576 1.00 15.54 C ATOM 964 CG PRO A 59 9.159 -10.404 4.533 1.00 54.05 C ATOM 965 CD PRO A 59 7.714 -9.960 4.361 1.00 45.10 C ATOM 0 HA PRO A 59 9.353 -7.135 3.883 1.00 73.51 H new ATOM 0 HB2 PRO A 59 10.998 -9.319 4.260 1.00 15.54 H new ATOM 0 HB3 PRO A 59 10.012 -8.730 5.584 1.00 15.54 H new ATOM 0 HG2 PRO A 59 9.473 -11.043 3.708 1.00 54.05 H new ATOM 0 HG3 PRO A 59 9.285 -10.981 5.449 1.00 54.05 H new ATOM 0 HD2 PRO A 59 7.142 -10.680 3.775 1.00 45.10 H new ATOM 0 HD3 PRO A 59 7.210 -9.860 5.322 1.00 45.10 H new ATOM 973 N ASN A 60 9.097 -9.018 1.296 1.00 75.44 N ATOM 974 CA ASN A 60 9.414 -9.150 -0.140 1.00 61.11 C ATOM 975 C ASN A 60 8.622 -8.112 -0.965 1.00 44.35 C ATOM 976 O ASN A 60 8.552 -8.227 -2.202 1.00 71.15 O ATOM 977 CB ASN A 60 9.105 -10.595 -0.631 1.00 2.42 C ATOM 978 CG ASN A 60 9.946 -11.663 0.078 1.00 52.45 C ATOM 979 OD1 ASN A 60 10.099 -11.652 1.299 1.00 24.43 O ATOM 980 ND2 ASN A 60 10.541 -12.565 -0.683 1.00 65.31 N ATOM 0 H ASN A 60 8.281 -9.561 1.578 1.00 75.44 H new ATOM 0 HA ASN A 60 10.478 -8.959 -0.281 1.00 61.11 H new ATOM 0 HB2 ASN A 60 8.048 -10.808 -0.472 1.00 2.42 H new ATOM 0 HB3 ASN A 60 9.284 -10.654 -1.705 1.00 2.42 H new ATOM 0 HD21 ASN A 60 11.142 -13.272 -0.260 1.00 65.31 H new ATOM 0 HD22 ASN A 60 10.399 -12.554 -1.693 1.00 65.31 H new ATOM 987 N ALA A 61 8.045 -7.098 -0.258 1.00 5.25 N ATOM 988 CA ALA A 61 7.282 -5.984 -0.861 1.00 1.30 C ATOM 989 C ALA A 61 8.041 -5.345 -2.038 1.00 25.45 C ATOM 990 O ALA A 61 9.162 -4.853 -1.871 1.00 53.22 O ATOM 991 CB ALA A 61 6.963 -4.916 0.205 1.00 14.24 C ATOM 0 H ALA A 61 8.102 -7.038 0.759 1.00 5.25 H new ATOM 0 HA ALA A 61 6.350 -6.395 -1.249 1.00 1.30 H new ATOM 0 HB1 ALA A 61 6.401 -4.102 -0.253 1.00 14.24 H new ATOM 0 HB2 ALA A 61 6.369 -5.364 1.002 1.00 14.24 H new ATOM 0 HB3 ALA A 61 7.893 -4.527 0.620 1.00 14.24 H new ATOM 997 N THR A 62 7.450 -5.437 -3.228 1.00 61.25 N ATOM 998 CA THR A 62 7.972 -4.798 -4.429 1.00 74.12 C ATOM 999 C THR A 62 7.139 -3.534 -4.678 1.00 72.13 C ATOM 1000 O THR A 62 6.001 -3.609 -5.151 1.00 31.34 O ATOM 1001 CB THR A 62 7.898 -5.785 -5.638 1.00 44.35 C ATOM 1002 OG1 THR A 62 8.507 -7.043 -5.279 1.00 44.32 O ATOM 1003 CG2 THR A 62 8.601 -5.223 -6.883 1.00 22.21 C ATOM 0 H THR A 62 6.589 -5.962 -3.384 1.00 61.25 H new ATOM 0 HA THR A 62 9.020 -4.526 -4.305 1.00 74.12 H new ATOM 0 HB THR A 62 6.845 -5.928 -5.879 1.00 44.35 H new ATOM 0 HG1 THR A 62 8.457 -7.659 -6.039 1.00 44.32 H new ATOM 0 HG21 THR A 62 8.525 -5.942 -7.699 1.00 22.21 H new ATOM 0 HG22 THR A 62 8.126 -4.287 -7.178 1.00 22.21 H new ATOM 0 HG23 THR A 62 9.652 -5.041 -6.656 1.00 22.21 H new ATOM 1011 N ILE A 63 7.690 -2.369 -4.289 1.00 34.53 N ATOM 1012 CA ILE A 63 6.966 -1.087 -4.289 1.00 45.25 C ATOM 1013 C ILE A 63 7.588 -0.150 -5.340 1.00 64.12 C ATOM 1014 O ILE A 63 8.795 0.111 -5.316 1.00 24.02 O ATOM 1015 CB ILE A 63 7.008 -0.448 -2.842 1.00 35.15 C ATOM 1016 CG1 ILE A 63 6.463 -1.487 -1.800 1.00 3.33 C ATOM 1017 CG2 ILE A 63 6.227 0.893 -2.774 1.00 13.53 C ATOM 1018 CD1 ILE A 63 6.498 -1.077 -0.342 1.00 43.14 C ATOM 0 H ILE A 63 8.654 -2.292 -3.965 1.00 34.53 H new ATOM 0 HA ILE A 63 5.920 -1.248 -4.552 1.00 45.25 H new ATOM 0 HB ILE A 63 8.043 -0.209 -2.598 1.00 35.15 H new ATOM 0 HG12 ILE A 63 5.431 -1.721 -2.062 1.00 3.33 H new ATOM 0 HG13 ILE A 63 7.036 -2.408 -1.907 1.00 3.33 H new ATOM 0 HG21 ILE A 63 6.283 1.296 -1.763 1.00 13.53 H new ATOM 0 HG22 ILE A 63 6.666 1.605 -3.473 1.00 13.53 H new ATOM 0 HG23 ILE A 63 5.184 0.720 -3.039 1.00 13.53 H new ATOM 0 HD11 ILE A 63 6.094 -1.882 0.272 1.00 43.14 H new ATOM 0 HD12 ILE A 63 7.527 -0.875 -0.045 1.00 43.14 H new ATOM 0 HD13 ILE A 63 5.898 -0.178 -0.202 1.00 43.14 H new ATOM 1030 N ARG A 64 6.739 0.331 -6.256 1.00 13.44 N ATOM 1031 CA ARG A 64 7.126 1.145 -7.411 1.00 74.34 C ATOM 1032 C ARG A 64 6.513 2.536 -7.250 1.00 61.42 C ATOM 1033 O ARG A 64 5.292 2.670 -7.100 1.00 44.32 O ATOM 1034 CB ARG A 64 6.636 0.478 -8.727 1.00 15.25 C ATOM 1035 CG ARG A 64 7.262 -0.910 -9.003 1.00 75.12 C ATOM 1036 CD ARG A 64 6.734 -1.556 -10.294 1.00 62.40 C ATOM 1037 NE ARG A 64 5.282 -1.813 -10.232 1.00 61.03 N ATOM 1038 CZ ARG A 64 4.429 -1.712 -11.264 1.00 50.44 C ATOM 1039 NH1 ARG A 64 4.855 -1.347 -12.473 1.00 65.34 N ATOM 1040 NH2 ARG A 64 3.145 -1.973 -11.078 1.00 44.44 N ATOM 0 H ARG A 64 5.735 0.159 -6.211 1.00 13.44 H new ATOM 0 HA ARG A 64 8.212 1.228 -7.463 1.00 74.34 H new ATOM 0 HB2 ARG A 64 5.552 0.374 -8.687 1.00 15.25 H new ATOM 0 HB3 ARG A 64 6.862 1.140 -9.563 1.00 15.25 H new ATOM 0 HG2 ARG A 64 8.345 -0.808 -9.070 1.00 75.12 H new ATOM 0 HG3 ARG A 64 7.055 -1.571 -8.161 1.00 75.12 H new ATOM 0 HD2 ARG A 64 6.951 -0.904 -11.140 1.00 62.40 H new ATOM 0 HD3 ARG A 64 7.261 -2.494 -10.471 1.00 62.40 H new ATOM 0 HE ARG A 64 4.894 -2.090 -9.330 1.00 61.03 H new ATOM 0 HH11 ARG A 64 5.842 -1.140 -12.625 1.00 65.34 H new ATOM 0 HH12 ARG A 64 4.194 -1.275 -13.246 1.00 65.34 H new ATOM 0 HH21 ARG A 64 2.809 -2.249 -10.155 1.00 44.44 H new ATOM 0 HH22 ARG A 64 2.491 -1.898 -11.857 1.00 44.44 H new ATOM 1054 N LYS A 65 7.368 3.564 -7.276 1.00 51.11 N ATOM 1055 CA LYS A 65 6.964 4.962 -7.061 1.00 1.33 C ATOM 1056 C LYS A 65 7.097 5.772 -8.356 1.00 14.00 C ATOM 1057 O LYS A 65 7.942 5.471 -9.209 1.00 3.34 O ATOM 1058 CB LYS A 65 7.824 5.619 -5.960 1.00 73.44 C ATOM 1059 CG LYS A 65 7.546 5.131 -4.525 1.00 11.02 C ATOM 1060 CD LYS A 65 8.279 6.004 -3.475 1.00 42.22 C ATOM 1061 CE LYS A 65 7.858 5.708 -2.034 1.00 55.40 C ATOM 1062 NZ LYS A 65 8.559 6.580 -1.060 1.00 1.51 N ATOM 0 H LYS A 65 8.367 3.451 -7.448 1.00 51.11 H new ATOM 0 HA LYS A 65 5.921 4.958 -6.746 1.00 1.33 H new ATOM 0 HB2 LYS A 65 8.875 5.441 -6.189 1.00 73.44 H new ATOM 0 HB3 LYS A 65 7.668 6.697 -5.996 1.00 73.44 H new ATOM 0 HG2 LYS A 65 6.473 5.154 -4.333 1.00 11.02 H new ATOM 0 HG3 LYS A 65 7.866 4.094 -4.424 1.00 11.02 H new ATOM 0 HD2 LYS A 65 9.353 5.848 -3.571 1.00 42.22 H new ATOM 0 HD3 LYS A 65 8.089 7.055 -3.692 1.00 42.22 H new ATOM 0 HE2 LYS A 65 6.781 5.846 -1.935 1.00 55.40 H new ATOM 0 HE3 LYS A 65 8.068 4.664 -1.802 1.00 55.40 H new ATOM 0 HZ1 LYS A 65 8.002 6.640 -0.184 1.00 1.51 H new ATOM 0 HZ2 LYS A 65 9.496 6.181 -0.848 1.00 1.51 H new ATOM 0 HZ3 LYS A 65 8.672 7.532 -1.464 1.00 1.51 H new ATOM 1076 N THR A 66 6.246 6.802 -8.477 1.00 52.34 N ATOM 1077 CA THR A 66 6.360 7.837 -9.498 1.00 10.52 C ATOM 1078 C THR A 66 6.026 9.193 -8.841 1.00 63.43 C ATOM 1079 O THR A 66 5.009 9.341 -8.147 1.00 22.44 O ATOM 1080 CB THR A 66 5.467 7.551 -10.759 1.00 13.12 C ATOM 1081 OG1 THR A 66 5.575 8.640 -11.699 1.00 11.13 O ATOM 1082 CG2 THR A 66 3.987 7.302 -10.414 1.00 22.23 C ATOM 0 H THR A 66 5.449 6.935 -7.855 1.00 52.34 H new ATOM 0 HA THR A 66 7.381 7.853 -9.880 1.00 10.52 H new ATOM 0 HB THR A 66 5.845 6.630 -11.204 1.00 13.12 H new ATOM 0 HG1 THR A 66 5.017 8.453 -12.482 1.00 11.13 H new ATOM 0 HG21 THR A 66 3.427 7.111 -11.330 1.00 22.23 H new ATOM 0 HG22 THR A 66 3.908 6.439 -9.753 1.00 22.23 H new ATOM 0 HG23 THR A 66 3.577 8.180 -9.914 1.00 22.23 H new ATOM 1090 N GLY A 67 6.929 10.158 -9.039 1.00 63.03 N ATOM 1091 CA GLY A 67 6.867 11.464 -8.393 1.00 43.11 C ATOM 1092 C GLY A 67 8.201 12.181 -8.517 1.00 4.30 C ATOM 1093 O GLY A 67 8.248 13.396 -8.729 1.00 75.12 O ATOM 0 H GLY A 67 7.731 10.049 -9.660 1.00 63.03 H new ATOM 0 HA2 GLY A 67 6.080 12.065 -8.849 1.00 43.11 H new ATOM 0 HA3 GLY A 67 6.608 11.344 -7.341 1.00 43.11 H new ATOM 1097 N GLY A 68 9.297 11.402 -8.370 1.00 10.02 N ATOM 1098 CA GLY A 68 10.670 11.900 -8.561 1.00 42.05 C ATOM 1099 C GLY A 68 11.415 12.156 -7.254 1.00 52.14 C ATOM 1100 O GLY A 68 12.647 12.295 -7.259 1.00 3.30 O ATOM 0 H GLY A 68 9.250 10.415 -8.117 1.00 10.02 H new ATOM 0 HA2 GLY A 68 11.231 11.177 -9.153 1.00 42.05 H new ATOM 0 HA3 GLY A 68 10.635 12.825 -9.137 1.00 42.05 H new ATOM 1104 N SER A 69 10.653 12.254 -6.144 1.00 52.13 N ATOM 1105 CA SER A 69 11.183 12.453 -4.775 1.00 51.32 C ATOM 1106 C SER A 69 11.866 13.824 -4.584 1.00 42.42 C ATOM 1107 O SER A 69 12.704 13.997 -3.684 1.00 52.23 O ATOM 1108 CB SER A 69 12.114 11.276 -4.367 1.00 71.51 C ATOM 1109 OG SER A 69 11.452 10.025 -4.521 1.00 50.23 O ATOM 0 H SER A 69 9.635 12.196 -6.173 1.00 52.13 H new ATOM 0 HA SER A 69 10.327 12.457 -4.101 1.00 51.32 H new ATOM 0 HB2 SER A 69 13.016 11.292 -4.979 1.00 71.51 H new ATOM 0 HB3 SER A 69 12.430 11.399 -3.331 1.00 71.51 H new ATOM 0 HG SER A 69 12.058 9.300 -4.260 1.00 50.23 H new ATOM 1115 N LEU A 70 11.455 14.816 -5.404 1.00 61.53 N ATOM 1116 CA LEU A 70 11.978 16.192 -5.318 1.00 32.41 C ATOM 1117 C LEU A 70 11.391 16.883 -4.074 1.00 44.44 C ATOM 1118 O LEU A 70 10.199 16.706 -3.760 1.00 23.14 O ATOM 1119 CB LEU A 70 11.654 17.042 -6.595 1.00 2.42 C ATOM 1120 CG LEU A 70 12.106 16.472 -7.990 1.00 45.31 C ATOM 1121 CD1 LEU A 70 13.484 15.785 -7.924 1.00 72.11 C ATOM 1122 CD2 LEU A 70 11.035 15.552 -8.606 1.00 60.20 C ATOM 0 H LEU A 70 10.758 14.685 -6.137 1.00 61.53 H new ATOM 0 HA LEU A 70 13.063 16.125 -5.244 1.00 32.41 H new ATOM 0 HB2 LEU A 70 10.576 17.196 -6.630 1.00 2.42 H new ATOM 0 HB3 LEU A 70 12.112 18.023 -6.470 1.00 2.42 H new ATOM 0 HG LEU A 70 12.217 17.328 -8.656 1.00 45.31 H new ATOM 0 HD11 LEU A 70 13.751 15.409 -8.912 1.00 72.11 H new ATOM 0 HD12 LEU A 70 14.234 16.505 -7.595 1.00 72.11 H new ATOM 0 HD13 LEU A 70 13.443 14.955 -7.218 1.00 72.11 H new ATOM 0 HD21 LEU A 70 11.386 15.179 -9.568 1.00 60.20 H new ATOM 0 HD22 LEU A 70 10.849 14.712 -7.937 1.00 60.20 H new ATOM 0 HD23 LEU A 70 10.112 16.113 -8.749 1.00 60.20 H new ATOM 1134 N GLU A 71 12.232 17.650 -3.361 1.00 45.45 N ATOM 1135 CA GLU A 71 11.776 18.484 -2.232 1.00 11.54 C ATOM 1136 C GLU A 71 10.939 19.672 -2.763 1.00 32.23 C ATOM 1137 O GLU A 71 11.087 20.074 -3.931 1.00 52.05 O ATOM 1138 CB GLU A 71 12.977 18.992 -1.384 1.00 3.13 C ATOM 1139 CG GLU A 71 13.939 19.934 -2.125 1.00 45.31 C ATOM 1140 CD GLU A 71 15.008 20.562 -1.214 1.00 34.21 C ATOM 1141 OE1 GLU A 71 14.684 21.525 -0.485 1.00 62.14 O ATOM 1142 OE2 GLU A 71 16.173 20.111 -1.223 1.00 63.52 O ATOM 0 H GLU A 71 13.233 17.711 -3.545 1.00 45.45 H new ATOM 0 HA GLU A 71 11.152 17.872 -1.581 1.00 11.54 H new ATOM 0 HB2 GLU A 71 12.590 19.509 -0.506 1.00 3.13 H new ATOM 0 HB3 GLU A 71 13.540 18.130 -1.025 1.00 3.13 H new ATOM 0 HG2 GLU A 71 14.433 19.381 -2.923 1.00 45.31 H new ATOM 0 HG3 GLU A 71 13.363 20.730 -2.598 1.00 45.31 H new ATOM 1149 N HIS A 72 10.054 20.212 -1.906 1.00 73.11 N ATOM 1150 CA HIS A 72 9.183 21.345 -2.261 1.00 33.41 C ATOM 1151 C HIS A 72 10.036 22.614 -2.479 1.00 61.33 C ATOM 1152 O HIS A 72 10.737 23.061 -1.560 1.00 50.54 O ATOM 1153 CB HIS A 72 8.105 21.573 -1.160 1.00 72.25 C ATOM 1154 CG HIS A 72 7.024 20.519 -1.108 1.00 63.51 C ATOM 1155 ND1 HIS A 72 5.681 20.826 -1.110 1.00 14.22 N ATOM 1156 CD2 HIS A 72 7.092 19.163 -1.025 1.00 10.44 C ATOM 1157 CE1 HIS A 72 4.975 19.721 -1.032 1.00 21.53 C ATOM 1158 NE2 HIS A 72 5.804 18.698 -0.982 1.00 13.35 N ATOM 0 H HIS A 72 9.923 19.876 -0.952 1.00 73.11 H new ATOM 0 HA HIS A 72 8.662 21.116 -3.191 1.00 33.41 H new ATOM 0 HB2 HIS A 72 8.600 21.615 -0.190 1.00 72.25 H new ATOM 0 HB3 HIS A 72 7.639 22.545 -1.323 1.00 72.25 H new ATOM 0 HD2 HIS A 72 7.991 18.566 -0.998 1.00 10.44 H new ATOM 0 HE1 HIS A 72 3.897 19.661 -1.012 1.00 21.53 H new ATOM 0 HE2 HIS A 72 5.531 17.717 -0.921 1.00 13.35 H new ATOM 1167 N HIS A 73 9.990 23.145 -3.722 1.00 61.30 N ATOM 1168 CA HIS A 73 10.748 24.341 -4.138 1.00 1.45 C ATOM 1169 C HIS A 73 10.418 25.540 -3.224 1.00 21.14 C ATOM 1170 O HIS A 73 9.282 26.022 -3.192 1.00 62.41 O ATOM 1171 CB HIS A 73 10.452 24.666 -5.629 1.00 24.51 C ATOM 1172 CG HIS A 73 11.106 25.923 -6.160 1.00 2.00 C ATOM 1173 ND1 HIS A 73 10.635 27.182 -5.862 1.00 63.25 N ATOM 1174 CD2 HIS A 73 12.165 26.113 -6.990 1.00 61.11 C ATOM 1175 CE1 HIS A 73 11.363 28.082 -6.482 1.00 34.41 C ATOM 1176 NE2 HIS A 73 12.300 27.464 -7.173 1.00 74.41 N ATOM 0 H HIS A 73 9.420 22.750 -4.469 1.00 61.30 H new ATOM 0 HA HIS A 73 11.814 24.137 -4.039 1.00 1.45 H new ATOM 0 HB2 HIS A 73 10.776 23.823 -6.239 1.00 24.51 H new ATOM 0 HB3 HIS A 73 9.373 24.756 -5.757 1.00 24.51 H new ATOM 0 HD2 HIS A 73 12.785 25.343 -7.424 1.00 61.11 H new ATOM 0 HE1 HIS A 73 11.218 29.151 -6.434 1.00 34.41 H new ATOM 0 HE2 HIS A 73 13.009 27.917 -7.749 1.00 74.41 H new ATOM 1185 N HIS A 74 11.437 26.008 -2.501 1.00 3.23 N ATOM 1186 CA HIS A 74 11.310 27.057 -1.476 1.00 11.33 C ATOM 1187 C HIS A 74 12.259 28.223 -1.814 1.00 52.31 C ATOM 1188 O HIS A 74 13.481 28.039 -1.919 1.00 44.54 O ATOM 1189 CB HIS A 74 11.596 26.461 -0.063 1.00 32.13 C ATOM 1190 CG HIS A 74 12.936 25.769 0.086 1.00 44.11 C ATOM 1191 ND1 HIS A 74 13.933 26.223 0.921 1.00 41.25 N ATOM 1192 CD2 HIS A 74 13.428 24.643 -0.496 1.00 22.32 C ATOM 1193 CE1 HIS A 74 14.976 25.417 0.837 1.00 44.24 C ATOM 1194 NE2 HIS A 74 14.692 24.453 -0.014 1.00 12.55 N ATOM 0 H HIS A 74 12.392 25.666 -2.610 1.00 3.23 H new ATOM 0 HA HIS A 74 10.292 27.446 -1.465 1.00 11.33 H new ATOM 0 HB2 HIS A 74 11.536 27.264 0.671 1.00 32.13 H new ATOM 0 HB3 HIS A 74 10.808 25.748 0.179 1.00 32.13 H new ATOM 0 HD2 HIS A 74 12.914 24.015 -1.208 1.00 22.32 H new ATOM 0 HE1 HIS A 74 15.905 25.530 1.376 1.00 44.24 H new ATOM 0 HE2 HIS A 74 15.315 23.688 -0.272 1.00 12.55 H new ATOM 1203 N HIS A 75 11.673 29.414 -2.013 1.00 4.25 N ATOM 1204 CA HIS A 75 12.397 30.631 -2.401 1.00 31.21 C ATOM 1205 C HIS A 75 11.672 31.857 -1.821 1.00 61.24 C ATOM 1206 O HIS A 75 10.749 32.402 -2.439 1.00 51.32 O ATOM 1207 CB HIS A 75 12.515 30.704 -3.949 1.00 14.13 C ATOM 1208 CG HIS A 75 13.108 31.986 -4.493 1.00 34.00 C ATOM 1209 ND1 HIS A 75 12.356 32.944 -5.140 1.00 71.51 N ATOM 1210 CD2 HIS A 75 14.380 32.454 -4.487 1.00 14.24 C ATOM 1211 CE1 HIS A 75 13.138 33.939 -5.506 1.00 62.35 C ATOM 1212 NE2 HIS A 75 14.368 33.665 -5.121 1.00 3.01 N ATOM 0 H HIS A 75 10.669 29.559 -1.907 1.00 4.25 H new ATOM 0 HA HIS A 75 13.409 30.614 -1.997 1.00 31.21 H new ATOM 0 HB2 HIS A 75 13.125 29.868 -4.290 1.00 14.13 H new ATOM 0 HB3 HIS A 75 11.522 30.571 -4.379 1.00 14.13 H new ATOM 0 HD2 HIS A 75 15.242 31.962 -4.061 1.00 14.24 H new ATOM 0 HE1 HIS A 75 12.824 34.828 -6.032 1.00 62.35 H new ATOM 0 HE2 HIS A 75 15.182 34.261 -5.272 1.00 3.01 H new ATOM 1221 N HIS A 76 12.059 32.239 -0.593 1.00 13.23 N ATOM 1222 CA HIS A 76 11.511 33.435 0.083 1.00 10.22 C ATOM 1223 C HIS A 76 12.317 34.685 -0.312 1.00 3.31 C ATOM 1224 O HIS A 76 13.338 34.586 -1.009 1.00 44.41 O ATOM 1225 CB HIS A 76 11.489 33.250 1.636 1.00 2.23 C ATOM 1226 CG HIS A 76 12.818 33.457 2.338 1.00 32.22 C ATOM 1227 ND1 HIS A 76 13.148 34.638 2.977 1.00 31.43 N ATOM 1228 CD2 HIS A 76 13.879 32.632 2.526 1.00 25.54 C ATOM 1229 CE1 HIS A 76 14.344 34.530 3.515 1.00 4.02 C ATOM 1230 NE2 HIS A 76 14.806 33.324 3.258 1.00 23.22 N ATOM 0 H HIS A 76 12.754 31.735 -0.042 1.00 13.23 H new ATOM 0 HA HIS A 76 10.480 33.569 -0.244 1.00 10.22 H new ATOM 0 HB2 HIS A 76 10.763 33.946 2.057 1.00 2.23 H new ATOM 0 HB3 HIS A 76 11.133 32.244 1.859 1.00 2.23 H new ATOM 0 HD2 HIS A 76 13.974 31.618 2.165 1.00 25.54 H new ATOM 0 HE1 HIS A 76 14.859 35.299 4.072 1.00 4.02 H new ATOM 0 HE2 HIS A 76 15.712 32.962 3.557 1.00 23.22 H new ATOM 1239 N HIS A 77 11.858 35.856 0.153 1.00 34.23 N ATOM 1240 CA HIS A 77 12.544 37.140 -0.062 1.00 22.32 C ATOM 1241 C HIS A 77 12.504 37.950 1.258 1.00 43.42 C ATOM 1242 O HIS A 77 11.526 38.698 1.490 1.00 64.12 O ATOM 1243 CB HIS A 77 11.893 37.906 -1.256 1.00 0.20 C ATOM 1244 CG HIS A 77 12.623 39.163 -1.650 1.00 13.13 C ATOM 1245 ND1 HIS A 77 12.435 40.372 -1.018 1.00 3.55 N ATOM 1246 CD2 HIS A 77 13.552 39.388 -2.614 1.00 54.44 C ATOM 1247 CE1 HIS A 77 13.208 41.281 -1.575 1.00 32.22 C ATOM 1248 NE2 HIS A 77 13.895 40.710 -2.542 1.00 34.21 N ATOM 1249 OXT HIS A 77 13.426 37.787 2.083 1.00 37.88 O ATOM 0 H HIS A 77 10.996 35.940 0.692 1.00 34.23 H new ATOM 0 HA HIS A 77 13.588 36.978 -0.330 1.00 22.32 H new ATOM 0 HB2 HIS A 77 11.845 37.241 -2.118 1.00 0.20 H new ATOM 0 HB3 HIS A 77 10.866 38.162 -0.994 1.00 0.20 H new ATOM 0 HD2 HIS A 77 13.946 38.660 -3.307 1.00 54.44 H new ATOM 0 HE1 HIS A 77 13.268 42.320 -1.287 1.00 32.22 H new ATOM 0 HE2 HIS A 77 14.574 41.179 -3.142 1.00 34.21 H new TER 1258 HIS A 77