USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 744 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 48 GLN : amide:sc= -0.225 K(o=-0.41,f=-2.7) USER MOD Set 1.2: A 49 LYS NZ :NH3+ -169:sc= -0.187 (180deg=-0.137) USER MOD Set 2.1: A 10 SER OG : rot 60:sc= 0.0348 USER MOD Set 2.2: A 12 GLN : amide:sc= 0.0351 X(o=0.07,f=0) USER MOD Single : A 9 THR OG1 : rot -151:sc= 0.568 USER MOD Single : A 14 LYS NZ :NH3+ -125:sc= 0.117 (180deg=-0.0221) USER MOD Single : A 19 LYS NZ :NH3+ -154:sc= 0.574 (180deg=-0.061) USER MOD Single : A 20 LYS NZ :NH3+ 157:sc= 1.12 (180deg=0.763) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 THR OG1 : rot -6:sc= 0.525 USER MOD Single : A 31 THR OG1 : rot -47:sc= 0.606 USER MOD Single : A 36 LYS NZ :NH3+ -149:sc= 0.264 (180deg=0.0291) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 40 LYS NZ :NH3+ 143:sc= -0.737 (180deg=-2.65!) USER MOD Single : A 43 GLN : amide:sc= -1.51! K(o=-1.5!,f=-0.67) USER MOD Single : A 44 LYS NZ :NH3+ 165:sc= -0.0396 (180deg=-0.245) USER MOD Single : A 45 LYS NZ :NH3+ -158:sc= -0.46! (180deg=-0.69!) USER MOD Single : A 56 SER OG : rot 180:sc= -0.0257 USER MOD Single : A 58 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00261) USER MOD Single : A 61 GLN : amide:sc= 0.495 X(o=0.5,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 132:sc= 0.0937 (180deg=-0.391) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -5:sc= 0.284 USER MOD Single : A 76 SER OG : rot -96:sc= 0.221 USER MOD Single : A 77 ASN : amide:sc= -0.0138 X(o=-0.014,f=0) USER MOD Single : A 82 GLN : amide:sc= -0.157 X(o=-0.16,f=-0.16) USER MOD Single : A 85 LYS NZ :NH3+ -122:sc= 1.21 (180deg=-0.14) USER MOD ----------------------------------------------------------------- ATOM 27 N ARG A 3 0.383 10.265 -6.558 1.00 62.20 N ATOM 28 CA ARG A 3 0.050 8.828 -6.593 1.00 73.31 C ATOM 29 C ARG A 3 0.414 8.166 -5.253 1.00 23.24 C ATOM 30 O ARG A 3 1.579 8.158 -4.831 1.00 14.34 O ATOM 31 CB ARG A 3 0.752 8.090 -7.767 1.00 51.05 C ATOM 32 CG ARG A 3 0.568 6.539 -7.775 1.00 21.34 C ATOM 33 CD ARG A 3 -0.912 6.085 -7.724 1.00 52.35 C ATOM 34 NE ARG A 3 -1.681 6.469 -8.929 1.00 1.02 N ATOM 35 CZ ARG A 3 -2.995 6.737 -8.950 1.00 33.32 C ATOM 36 NH1 ARG A 3 -3.719 6.681 -7.843 1.00 24.03 N ATOM 37 NH2 ARG A 3 -3.594 7.038 -10.089 1.00 11.11 N ATOM 0 HA ARG A 3 -1.025 8.747 -6.757 1.00 73.31 H new ATOM 0 HB2 ARG A 3 0.373 8.491 -8.707 1.00 51.05 H new ATOM 0 HB3 ARG A 3 1.818 8.314 -7.732 1.00 51.05 H new ATOM 0 HG2 ARG A 3 1.032 6.132 -8.673 1.00 21.34 H new ATOM 0 HG3 ARG A 3 1.098 6.115 -6.922 1.00 21.34 H new ATOM 0 HD2 ARG A 3 -0.949 5.002 -7.607 1.00 52.35 H new ATOM 0 HD3 ARG A 3 -1.388 6.517 -6.844 1.00 52.35 H new ATOM 0 HE ARG A 3 -1.173 6.535 -9.811 1.00 1.02 H new ATOM 0 HH11 ARG A 3 -3.278 6.431 -6.958 1.00 24.03 H new ATOM 0 HH12 ARG A 3 -4.717 6.888 -7.876 1.00 24.03 H new ATOM 0 HH21 ARG A 3 -3.057 7.067 -10.956 1.00 11.11 H new ATOM 0 HH22 ARG A 3 -4.593 7.241 -10.101 1.00 11.11 H new ATOM 51 N LEU A 4 -0.616 7.629 -4.597 1.00 74.43 N ATOM 52 CA LEU A 4 -0.495 6.818 -3.391 1.00 42.44 C ATOM 53 C LEU A 4 -1.051 5.412 -3.686 1.00 2.45 C ATOM 54 O LEU A 4 -2.201 5.277 -4.133 1.00 62.23 O ATOM 55 CB LEU A 4 -1.281 7.499 -2.244 1.00 31.04 C ATOM 56 CG LEU A 4 -1.095 6.879 -0.824 1.00 3.01 C ATOM 57 CD1 LEU A 4 0.368 6.976 -0.348 1.00 5.13 C ATOM 58 CD2 LEU A 4 -2.043 7.541 0.180 1.00 13.54 C ATOM 0 H LEU A 4 -1.582 7.751 -4.901 1.00 74.43 H new ATOM 0 HA LEU A 4 0.548 6.727 -3.087 1.00 42.44 H new ATOM 0 HB2 LEU A 4 -0.987 8.548 -2.202 1.00 31.04 H new ATOM 0 HB3 LEU A 4 -2.342 7.475 -2.493 1.00 31.04 H new ATOM 0 HG LEU A 4 -1.345 5.820 -0.889 1.00 3.01 H new ATOM 0 HD11 LEU A 4 0.458 6.534 0.644 1.00 5.13 H new ATOM 0 HD12 LEU A 4 1.013 6.440 -1.044 1.00 5.13 H new ATOM 0 HD13 LEU A 4 0.669 8.023 -0.307 1.00 5.13 H new ATOM 0 HD21 LEU A 4 -1.899 7.096 1.164 1.00 13.54 H new ATOM 0 HD22 LEU A 4 -1.832 8.609 0.230 1.00 13.54 H new ATOM 0 HD23 LEU A 4 -3.074 7.390 -0.139 1.00 13.54 H new ATOM 70 N VAL A 5 -0.221 4.383 -3.471 1.00 32.44 N ATOM 71 CA VAL A 5 -0.622 2.972 -3.626 1.00 2.10 C ATOM 72 C VAL A 5 -0.831 2.365 -2.232 1.00 60.44 C ATOM 73 O VAL A 5 0.112 2.263 -1.451 1.00 42.22 O ATOM 74 CB VAL A 5 0.449 2.145 -4.440 1.00 31.23 C ATOM 75 CG1 VAL A 5 0.097 0.630 -4.488 1.00 50.21 C ATOM 76 CG2 VAL A 5 0.610 2.718 -5.874 1.00 22.44 C ATOM 0 H VAL A 5 0.750 4.502 -3.184 1.00 32.44 H new ATOM 0 HA VAL A 5 -1.551 2.929 -4.194 1.00 2.10 H new ATOM 0 HB VAL A 5 1.401 2.241 -3.918 1.00 31.23 H new ATOM 0 HG11 VAL A 5 0.859 0.097 -5.057 1.00 50.21 H new ATOM 0 HG12 VAL A 5 0.058 0.233 -3.474 1.00 50.21 H new ATOM 0 HG13 VAL A 5 -0.873 0.497 -4.967 1.00 50.21 H new ATOM 0 HG21 VAL A 5 1.352 2.134 -6.418 1.00 22.44 H new ATOM 0 HG22 VAL A 5 -0.346 2.667 -6.396 1.00 22.44 H new ATOM 0 HG23 VAL A 5 0.936 3.756 -5.816 1.00 22.44 H new ATOM 86 N VAL A 6 -2.075 1.980 -1.926 1.00 54.41 N ATOM 87 CA VAL A 6 -2.445 1.392 -0.634 1.00 21.33 C ATOM 88 C VAL A 6 -2.444 -0.140 -0.759 1.00 1.41 C ATOM 89 O VAL A 6 -3.364 -0.732 -1.320 1.00 74.22 O ATOM 90 CB VAL A 6 -3.850 1.909 -0.147 1.00 72.42 C ATOM 91 CG1 VAL A 6 -4.227 1.314 1.239 1.00 62.24 C ATOM 92 CG2 VAL A 6 -3.890 3.463 -0.121 1.00 22.35 C ATOM 0 H VAL A 6 -2.859 2.068 -2.573 1.00 54.41 H new ATOM 0 HA VAL A 6 -1.713 1.698 0.113 1.00 21.33 H new ATOM 0 HB VAL A 6 -4.596 1.564 -0.863 1.00 72.42 H new ATOM 0 HG11 VAL A 6 -5.203 1.692 1.544 1.00 62.24 H new ATOM 0 HG12 VAL A 6 -4.265 0.227 1.170 1.00 62.24 H new ATOM 0 HG13 VAL A 6 -3.478 1.605 1.976 1.00 62.24 H new ATOM 0 HG21 VAL A 6 -4.871 3.796 0.219 1.00 22.35 H new ATOM 0 HG22 VAL A 6 -3.124 3.835 0.560 1.00 22.35 H new ATOM 0 HG23 VAL A 6 -3.703 3.849 -1.123 1.00 22.35 H new ATOM 102 N VAL A 7 -1.384 -0.762 -0.260 1.00 2.13 N ATOM 103 CA VAL A 7 -1.243 -2.218 -0.228 1.00 3.23 C ATOM 104 C VAL A 7 -1.986 -2.771 0.993 1.00 34.24 C ATOM 105 O VAL A 7 -1.712 -2.377 2.116 1.00 54.31 O ATOM 106 CB VAL A 7 0.268 -2.631 -0.170 1.00 13.40 C ATOM 107 CG1 VAL A 7 0.451 -4.167 -0.070 1.00 21.12 C ATOM 108 CG2 VAL A 7 1.046 -2.056 -1.376 1.00 60.21 C ATOM 0 H VAL A 7 -0.587 -0.267 0.139 1.00 2.13 H new ATOM 0 HA VAL A 7 -1.673 -2.634 -1.139 1.00 3.23 H new ATOM 0 HB VAL A 7 0.683 -2.200 0.741 1.00 13.40 H new ATOM 0 HG11 VAL A 7 1.514 -4.405 -0.033 1.00 21.12 H new ATOM 0 HG12 VAL A 7 -0.035 -4.533 0.834 1.00 21.12 H new ATOM 0 HG13 VAL A 7 0.003 -4.644 -0.941 1.00 21.12 H new ATOM 0 HG21 VAL A 7 2.092 -2.357 -1.312 1.00 60.21 H new ATOM 0 HG22 VAL A 7 0.615 -2.437 -2.302 1.00 60.21 H new ATOM 0 HG23 VAL A 7 0.981 -0.968 -1.366 1.00 60.21 H new ATOM 118 N VAL A 8 -2.927 -3.672 0.739 1.00 22.11 N ATOM 119 CA VAL A 8 -3.754 -4.320 1.763 1.00 13.54 C ATOM 120 C VAL A 8 -3.604 -5.837 1.613 1.00 30.31 C ATOM 121 O VAL A 8 -3.260 -6.330 0.536 1.00 50.12 O ATOM 122 CB VAL A 8 -5.271 -3.915 1.633 1.00 25.11 C ATOM 123 CG1 VAL A 8 -5.474 -2.401 1.901 1.00 62.20 C ATOM 124 CG2 VAL A 8 -5.836 -4.314 0.247 1.00 55.45 C ATOM 0 H VAL A 8 -3.146 -3.984 -0.207 1.00 22.11 H new ATOM 0 HA VAL A 8 -3.417 -3.993 2.747 1.00 13.54 H new ATOM 0 HB VAL A 8 -5.827 -4.464 2.393 1.00 25.11 H new ATOM 0 HG11 VAL A 8 -6.531 -2.153 1.804 1.00 62.20 H new ATOM 0 HG12 VAL A 8 -5.136 -2.161 2.909 1.00 62.20 H new ATOM 0 HG13 VAL A 8 -4.898 -1.823 1.179 1.00 62.20 H new ATOM 0 HG21 VAL A 8 -6.885 -4.023 0.184 1.00 55.45 H new ATOM 0 HG22 VAL A 8 -5.271 -3.807 -0.536 1.00 55.45 H new ATOM 0 HG23 VAL A 8 -5.750 -5.393 0.116 1.00 55.45 H new ATOM 134 N THR A 9 -3.848 -6.566 2.696 1.00 51.42 N ATOM 135 CA THR A 9 -3.800 -8.040 2.702 1.00 72.43 C ATOM 136 C THR A 9 -5.209 -8.651 2.795 1.00 41.41 C ATOM 137 O THR A 9 -5.369 -9.876 2.759 1.00 43.34 O ATOM 138 CB THR A 9 -2.915 -8.518 3.884 1.00 43.12 C ATOM 139 OG1 THR A 9 -3.389 -7.909 5.098 1.00 23.33 O ATOM 140 CG2 THR A 9 -1.436 -8.143 3.651 1.00 21.24 C ATOM 0 H THR A 9 -4.086 -6.160 3.601 1.00 51.42 H new ATOM 0 HA THR A 9 -3.365 -8.378 1.762 1.00 72.43 H new ATOM 0 HB THR A 9 -2.980 -9.603 3.960 1.00 43.12 H new ATOM 0 HG1 THR A 9 -2.643 -7.806 5.725 1.00 23.33 H new ATOM 0 HG21 THR A 9 -0.836 -8.489 4.493 1.00 21.24 H new ATOM 0 HG22 THR A 9 -1.081 -8.615 2.735 1.00 21.24 H new ATOM 0 HG23 THR A 9 -1.345 -7.061 3.561 1.00 21.24 H new ATOM 148 N SER A 10 -6.228 -7.782 2.876 1.00 12.31 N ATOM 149 CA SER A 10 -7.628 -8.189 3.010 1.00 70.44 C ATOM 150 C SER A 10 -8.465 -7.438 1.970 1.00 53.24 C ATOM 151 O SER A 10 -8.266 -6.236 1.756 1.00 33.44 O ATOM 152 CB SER A 10 -8.133 -7.889 4.439 1.00 35.44 C ATOM 153 OG SER A 10 -9.483 -8.273 4.607 1.00 13.41 O ATOM 0 H SER A 10 -6.099 -6.771 2.850 1.00 12.31 H new ATOM 0 HA SER A 10 -7.720 -9.261 2.838 1.00 70.44 H new ATOM 0 HB2 SER A 10 -7.512 -8.416 5.163 1.00 35.44 H new ATOM 0 HB3 SER A 10 -8.029 -6.824 4.646 1.00 35.44 H new ATOM 0 HG SER A 10 -9.572 -9.235 4.442 1.00 13.41 H new ATOM 159 N GLU A 11 -9.388 -8.164 1.312 1.00 55.13 N ATOM 160 CA GLU A 11 -10.353 -7.584 0.363 1.00 60.52 C ATOM 161 C GLU A 11 -11.366 -6.682 1.089 1.00 41.41 C ATOM 162 O GLU A 11 -11.957 -5.791 0.475 1.00 21.44 O ATOM 163 CB GLU A 11 -11.088 -8.703 -0.413 1.00 33.31 C ATOM 164 CG GLU A 11 -10.167 -9.554 -1.299 1.00 33.13 C ATOM 165 CD GLU A 11 -10.917 -10.637 -2.091 1.00 71.22 C ATOM 166 OE1 GLU A 11 -11.136 -11.742 -1.542 1.00 62.44 O ATOM 167 OE2 GLU A 11 -11.293 -10.384 -3.257 1.00 11.24 O ATOM 0 H GLU A 11 -9.485 -9.173 1.425 1.00 55.13 H new ATOM 0 HA GLU A 11 -9.800 -6.970 -0.348 1.00 60.52 H new ATOM 0 HB2 GLU A 11 -11.593 -9.354 0.300 1.00 33.31 H new ATOM 0 HB3 GLU A 11 -11.860 -8.252 -1.036 1.00 33.31 H new ATOM 0 HG2 GLU A 11 -9.641 -8.902 -1.997 1.00 33.13 H new ATOM 0 HG3 GLU A 11 -9.410 -10.029 -0.674 1.00 33.13 H new ATOM 174 N GLN A 12 -11.541 -6.930 2.403 1.00 61.11 N ATOM 175 CA GLN A 12 -12.388 -6.109 3.283 1.00 73.45 C ATOM 176 C GLN A 12 -11.784 -4.697 3.402 1.00 73.11 C ATOM 177 O GLN A 12 -12.499 -3.696 3.385 1.00 0.10 O ATOM 178 CB GLN A 12 -12.505 -6.786 4.679 1.00 30.42 C ATOM 179 CG GLN A 12 -12.938 -8.265 4.619 1.00 14.04 C ATOM 180 CD GLN A 12 -12.986 -8.943 5.986 1.00 74.32 C ATOM 181 OE1 GLN A 12 -14.025 -8.970 6.641 1.00 44.11 O ATOM 182 NE2 GLN A 12 -11.863 -9.478 6.431 1.00 1.34 N ATOM 0 H GLN A 12 -11.094 -7.711 2.883 1.00 61.11 H new ATOM 0 HA GLN A 12 -13.389 -6.023 2.861 1.00 73.45 H new ATOM 0 HB2 GLN A 12 -11.543 -6.719 5.187 1.00 30.42 H new ATOM 0 HB3 GLN A 12 -13.223 -6.231 5.283 1.00 30.42 H new ATOM 0 HG2 GLN A 12 -13.923 -8.328 4.156 1.00 14.04 H new ATOM 0 HG3 GLN A 12 -12.248 -8.811 3.976 1.00 14.04 H new ATOM 0 HE21 GLN A 12 -11.018 -9.438 5.861 1.00 1.34 H new ATOM 0 HE22 GLN A 12 -11.841 -9.931 7.344 1.00 1.34 H new ATOM 191 N LEU A 13 -10.442 -4.650 3.498 1.00 30.21 N ATOM 192 CA LEU A 13 -9.673 -3.393 3.551 1.00 42.11 C ATOM 193 C LEU A 13 -9.520 -2.770 2.143 1.00 51.20 C ATOM 194 O LEU A 13 -9.401 -1.545 2.009 1.00 22.30 O ATOM 195 CB LEU A 13 -8.282 -3.660 4.182 1.00 43.23 C ATOM 196 CG LEU A 13 -8.293 -4.238 5.632 1.00 33.54 C ATOM 197 CD1 LEU A 13 -6.866 -4.570 6.120 1.00 73.21 C ATOM 198 CD2 LEU A 13 -9.014 -3.278 6.605 1.00 61.52 C ATOM 0 H LEU A 13 -9.859 -5.486 3.541 1.00 30.21 H new ATOM 0 HA LEU A 13 -10.217 -2.679 4.169 1.00 42.11 H new ATOM 0 HB2 LEU A 13 -7.739 -4.353 3.539 1.00 43.23 H new ATOM 0 HB3 LEU A 13 -7.721 -2.725 4.188 1.00 43.23 H new ATOM 0 HG LEU A 13 -8.853 -5.173 5.612 1.00 33.54 H new ATOM 0 HD11 LEU A 13 -6.912 -4.970 7.133 1.00 73.21 H new ATOM 0 HD12 LEU A 13 -6.418 -5.310 5.457 1.00 73.21 H new ATOM 0 HD13 LEU A 13 -6.260 -3.664 6.115 1.00 73.21 H new ATOM 0 HD21 LEU A 13 -9.008 -3.704 7.608 1.00 61.52 H new ATOM 0 HD22 LEU A 13 -8.500 -2.317 6.616 1.00 61.52 H new ATOM 0 HD23 LEU A 13 -10.044 -3.135 6.278 1.00 61.52 H new ATOM 210 N LYS A 14 -9.515 -3.631 1.105 1.00 53.43 N ATOM 211 CA LYS A 14 -9.366 -3.212 -0.300 1.00 1.21 C ATOM 212 C LYS A 14 -10.549 -2.333 -0.737 1.00 15.54 C ATOM 213 O LYS A 14 -10.359 -1.168 -1.117 1.00 32.44 O ATOM 214 CB LYS A 14 -9.229 -4.457 -1.211 1.00 4.31 C ATOM 215 CG LYS A 14 -9.061 -4.160 -2.719 1.00 51.24 C ATOM 216 CD LYS A 14 -8.911 -5.454 -3.554 1.00 71.31 C ATOM 217 CE LYS A 14 -8.939 -5.193 -5.069 1.00 41.51 C ATOM 218 NZ LYS A 14 -7.839 -4.295 -5.502 1.00 40.32 N ATOM 0 H LYS A 14 -9.615 -4.640 1.220 1.00 53.43 H new ATOM 0 HA LYS A 14 -8.460 -2.614 -0.394 1.00 1.21 H new ATOM 0 HB2 LYS A 14 -8.371 -5.039 -0.875 1.00 4.31 H new ATOM 0 HB3 LYS A 14 -10.111 -5.083 -1.077 1.00 4.31 H new ATOM 0 HG2 LYS A 14 -9.924 -3.597 -3.075 1.00 51.24 H new ATOM 0 HG3 LYS A 14 -8.185 -3.529 -2.868 1.00 51.24 H new ATOM 0 HD2 LYS A 14 -7.973 -5.943 -3.292 1.00 71.31 H new ATOM 0 HD3 LYS A 14 -9.714 -6.144 -3.294 1.00 71.31 H new ATOM 0 HE2 LYS A 14 -8.863 -6.141 -5.601 1.00 41.51 H new ATOM 0 HE3 LYS A 14 -9.897 -4.750 -5.342 1.00 41.51 H new ATOM 0 HZ1 LYS A 14 -8.236 -3.483 -6.016 1.00 40.32 H new ATOM 0 HZ2 LYS A 14 -7.319 -3.956 -4.668 1.00 40.32 H new ATOM 0 HZ3 LYS A 14 -7.191 -4.816 -6.126 1.00 40.32 H new ATOM 232 N GLU A 15 -11.769 -2.894 -0.630 1.00 32.03 N ATOM 233 CA GLU A 15 -13.013 -2.192 -0.998 1.00 55.13 C ATOM 234 C GLU A 15 -13.255 -0.968 -0.092 1.00 32.54 C ATOM 235 O GLU A 15 -13.915 -0.019 -0.507 1.00 21.24 O ATOM 236 CB GLU A 15 -14.234 -3.148 -0.922 1.00 31.31 C ATOM 237 CG GLU A 15 -14.490 -3.750 0.481 1.00 2.40 C ATOM 238 CD GLU A 15 -15.818 -4.513 0.619 1.00 51.12 C ATOM 239 OE1 GLU A 15 -16.117 -5.369 -0.234 1.00 52.32 O ATOM 240 OE2 GLU A 15 -16.546 -4.293 1.610 1.00 10.22 O ATOM 0 H GLU A 15 -11.919 -3.843 -0.287 1.00 32.03 H new ATOM 0 HA GLU A 15 -12.897 -1.847 -2.025 1.00 55.13 H new ATOM 0 HB2 GLU A 15 -15.125 -2.606 -1.239 1.00 31.31 H new ATOM 0 HB3 GLU A 15 -14.087 -3.962 -1.632 1.00 31.31 H new ATOM 0 HG2 GLU A 15 -13.671 -4.426 0.727 1.00 2.40 H new ATOM 0 HG3 GLU A 15 -14.471 -2.945 1.216 1.00 2.40 H new ATOM 247 N GLU A 16 -12.727 -1.028 1.148 1.00 1.41 N ATOM 248 CA GLU A 16 -12.832 0.054 2.145 1.00 71.14 C ATOM 249 C GLU A 16 -12.145 1.335 1.629 1.00 4.51 C ATOM 250 O GLU A 16 -12.796 2.381 1.474 1.00 30.50 O ATOM 251 CB GLU A 16 -12.208 -0.435 3.490 1.00 60.44 C ATOM 252 CG GLU A 16 -12.031 0.626 4.602 1.00 30.31 C ATOM 253 CD GLU A 16 -13.329 1.359 4.975 1.00 74.33 C ATOM 254 OE1 GLU A 16 -14.322 0.694 5.350 1.00 10.24 O ATOM 255 OE2 GLU A 16 -13.371 2.599 4.889 1.00 12.14 O ATOM 0 H GLU A 16 -12.210 -1.839 1.488 1.00 1.41 H new ATOM 0 HA GLU A 16 -13.880 0.301 2.315 1.00 71.14 H new ATOM 0 HB2 GLU A 16 -12.832 -1.238 3.882 1.00 60.44 H new ATOM 0 HB3 GLU A 16 -11.231 -0.867 3.274 1.00 60.44 H new ATOM 0 HG2 GLU A 16 -11.630 0.142 5.492 1.00 30.31 H new ATOM 0 HG3 GLU A 16 -11.292 1.359 4.277 1.00 30.31 H new ATOM 262 N VAL A 17 -10.837 1.229 1.344 1.00 74.24 N ATOM 263 CA VAL A 17 -10.022 2.372 0.886 1.00 73.53 C ATOM 264 C VAL A 17 -10.459 2.842 -0.528 1.00 50.14 C ATOM 265 O VAL A 17 -10.309 4.018 -0.861 1.00 42.52 O ATOM 266 CB VAL A 17 -8.485 2.027 0.910 1.00 25.33 C ATOM 267 CG1 VAL A 17 -7.616 3.269 0.572 1.00 34.13 C ATOM 268 CG2 VAL A 17 -8.060 1.422 2.276 1.00 40.11 C ATOM 0 H VAL A 17 -10.315 0.356 1.423 1.00 74.24 H new ATOM 0 HA VAL A 17 -10.191 3.193 1.582 1.00 73.53 H new ATOM 0 HB VAL A 17 -8.315 1.276 0.138 1.00 25.33 H new ATOM 0 HG11 VAL A 17 -6.562 2.993 0.598 1.00 34.13 H new ATOM 0 HG12 VAL A 17 -7.872 3.632 -0.423 1.00 34.13 H new ATOM 0 HG13 VAL A 17 -7.804 4.055 1.304 1.00 34.13 H new ATOM 0 HG21 VAL A 17 -6.994 1.196 2.258 1.00 40.11 H new ATOM 0 HG22 VAL A 17 -8.265 2.139 3.071 1.00 40.11 H new ATOM 0 HG23 VAL A 17 -8.622 0.506 2.459 1.00 40.11 H new ATOM 278 N ARG A 18 -10.986 1.910 -1.354 1.00 40.12 N ATOM 279 CA ARG A 18 -11.562 2.244 -2.685 1.00 14.00 C ATOM 280 C ARG A 18 -12.872 3.054 -2.566 1.00 14.14 C ATOM 281 O ARG A 18 -13.101 3.991 -3.335 1.00 71.35 O ATOM 282 CB ARG A 18 -11.832 0.963 -3.518 1.00 73.03 C ATOM 283 CG ARG A 18 -10.567 0.232 -4.015 1.00 51.31 C ATOM 284 CD ARG A 18 -10.904 -0.967 -4.914 1.00 0.14 C ATOM 285 NE ARG A 18 -11.735 -0.561 -6.067 1.00 33.05 N ATOM 286 CZ ARG A 18 -12.321 -1.392 -6.937 1.00 24.24 C ATOM 287 NH1 ARG A 18 -12.190 -2.709 -6.828 1.00 72.03 N ATOM 288 NH2 ARG A 18 -13.044 -0.893 -7.923 1.00 53.21 N ATOM 0 H ARG A 18 -11.026 0.917 -1.125 1.00 40.12 H new ATOM 0 HA ARG A 18 -10.819 2.859 -3.193 1.00 14.00 H new ATOM 0 HB2 ARG A 18 -12.420 0.272 -2.914 1.00 73.03 H new ATOM 0 HB3 ARG A 18 -12.442 1.230 -4.381 1.00 73.03 H new ATOM 0 HG2 ARG A 18 -9.938 0.931 -4.566 1.00 51.31 H new ATOM 0 HG3 ARG A 18 -9.987 -0.111 -3.158 1.00 51.31 H new ATOM 0 HD2 ARG A 18 -9.982 -1.426 -5.272 1.00 0.14 H new ATOM 0 HD3 ARG A 18 -11.431 -1.723 -4.332 1.00 0.14 H new ATOM 0 HE ARG A 18 -11.874 0.439 -6.212 1.00 33.05 H new ATOM 0 HH11 ARG A 18 -11.634 -3.105 -6.070 1.00 72.03 H new ATOM 0 HH12 ARG A 18 -12.645 -3.324 -7.502 1.00 72.03 H new ATOM 0 HH21 ARG A 18 -13.152 0.117 -8.016 1.00 53.21 H new ATOM 0 HH22 ARG A 18 -13.495 -1.518 -8.592 1.00 53.21 H new ATOM 302 N LYS A 19 -13.734 2.659 -1.611 1.00 51.20 N ATOM 303 CA LYS A 19 -15.058 3.282 -1.400 1.00 2.43 C ATOM 304 C LYS A 19 -14.895 4.711 -0.856 1.00 74.02 C ATOM 305 O LYS A 19 -15.672 5.617 -1.200 1.00 31.43 O ATOM 306 CB LYS A 19 -15.912 2.409 -0.435 1.00 55.53 C ATOM 307 CG LYS A 19 -17.369 2.887 -0.148 1.00 52.24 C ATOM 308 CD LYS A 19 -18.389 2.645 -1.303 1.00 1.03 C ATOM 309 CE LYS A 19 -18.307 3.665 -2.459 1.00 70.04 C ATOM 310 NZ LYS A 19 -18.484 5.060 -1.979 1.00 43.15 N ATOM 0 H LYS A 19 -13.534 1.898 -0.962 1.00 51.20 H new ATOM 0 HA LYS A 19 -15.579 3.343 -2.356 1.00 2.43 H new ATOM 0 HB2 LYS A 19 -15.961 1.400 -0.845 1.00 55.53 H new ATOM 0 HB3 LYS A 19 -15.384 2.341 0.516 1.00 55.53 H new ATOM 0 HG2 LYS A 19 -17.731 2.380 0.746 1.00 52.24 H new ATOM 0 HG3 LYS A 19 -17.346 3.953 0.077 1.00 52.24 H new ATOM 0 HD2 LYS A 19 -18.230 1.645 -1.707 1.00 1.03 H new ATOM 0 HD3 LYS A 19 -19.397 2.665 -0.889 1.00 1.03 H new ATOM 0 HE2 LYS A 19 -17.342 3.572 -2.958 1.00 70.04 H new ATOM 0 HE3 LYS A 19 -19.072 3.436 -3.200 1.00 70.04 H new ATOM 0 HZ1 LYS A 19 -18.857 5.648 -2.751 1.00 43.15 H new ATOM 0 HZ2 LYS A 19 -19.152 5.071 -1.182 1.00 43.15 H new ATOM 0 HZ3 LYS A 19 -17.567 5.439 -1.667 1.00 43.15 H new ATOM 324 N LYS A 20 -13.875 4.895 -0.002 1.00 11.12 N ATOM 325 CA LYS A 20 -13.494 6.214 0.506 1.00 60.11 C ATOM 326 C LYS A 20 -12.776 7.032 -0.585 1.00 10.24 C ATOM 327 O LYS A 20 -13.111 8.188 -0.815 1.00 35.30 O ATOM 328 CB LYS A 20 -12.607 6.095 1.781 1.00 31.14 C ATOM 329 CG LYS A 20 -13.399 5.903 3.091 1.00 63.24 C ATOM 330 CD LYS A 20 -12.494 5.915 4.348 1.00 2.34 C ATOM 331 CE LYS A 20 -13.292 6.112 5.651 1.00 3.53 C ATOM 332 NZ LYS A 20 -14.363 5.100 5.830 1.00 51.14 N ATOM 0 H LYS A 20 -13.296 4.134 0.352 1.00 11.12 H new ATOM 0 HA LYS A 20 -14.407 6.740 0.785 1.00 60.11 H new ATOM 0 HB2 LYS A 20 -11.924 5.255 1.657 1.00 31.14 H new ATOM 0 HB3 LYS A 20 -11.995 6.993 1.869 1.00 31.14 H new ATOM 0 HG2 LYS A 20 -14.145 6.693 3.178 1.00 63.24 H new ATOM 0 HG3 LYS A 20 -13.940 4.958 3.048 1.00 63.24 H new ATOM 0 HD2 LYS A 20 -11.942 4.977 4.403 1.00 2.34 H new ATOM 0 HD3 LYS A 20 -11.757 6.713 4.253 1.00 2.34 H new ATOM 0 HE2 LYS A 20 -12.610 6.066 6.500 1.00 3.53 H new ATOM 0 HE3 LYS A 20 -13.736 7.108 5.653 1.00 3.53 H new ATOM 0 HZ1 LYS A 20 -14.600 5.020 6.839 1.00 51.14 H new ATOM 0 HZ2 LYS A 20 -15.208 5.391 5.298 1.00 51.14 H new ATOM 0 HZ3 LYS A 20 -14.032 4.179 5.478 1.00 51.14 H new ATOM 346 N PHE A 21 -11.795 6.423 -1.267 1.00 24.41 N ATOM 347 CA PHE A 21 -10.929 7.122 -2.243 1.00 52.33 C ATOM 348 C PHE A 21 -10.818 6.264 -3.525 1.00 60.23 C ATOM 349 O PHE A 21 -9.969 5.370 -3.601 1.00 53.50 O ATOM 350 CB PHE A 21 -9.517 7.403 -1.649 1.00 14.24 C ATOM 351 CG PHE A 21 -9.525 8.012 -0.241 1.00 4.35 C ATOM 352 CD1 PHE A 21 -9.800 9.371 -0.034 1.00 61.11 C ATOM 353 CD2 PHE A 21 -9.255 7.219 0.876 1.00 61.24 C ATOM 354 CE1 PHE A 21 -9.798 9.905 1.247 1.00 41.22 C ATOM 355 CE2 PHE A 21 -9.258 7.757 2.147 1.00 64.23 C ATOM 356 CZ PHE A 21 -9.524 9.093 2.336 1.00 55.15 C ATOM 0 H PHE A 21 -11.575 5.433 -1.162 1.00 24.41 H new ATOM 0 HA PHE A 21 -11.377 8.086 -2.484 1.00 52.33 H new ATOM 0 HB2 PHE A 21 -8.956 6.469 -1.623 1.00 14.24 H new ATOM 0 HB3 PHE A 21 -8.983 8.077 -2.319 1.00 14.24 H new ATOM 0 HD1 PHE A 21 -10.015 10.008 -0.879 1.00 61.11 H new ATOM 0 HD2 PHE A 21 -9.041 6.169 0.743 1.00 61.24 H new ATOM 0 HE1 PHE A 21 -10.010 10.954 1.395 1.00 41.22 H new ATOM 0 HE2 PHE A 21 -9.050 7.125 2.998 1.00 64.23 H new ATOM 0 HZ PHE A 21 -9.519 9.509 3.333 1.00 55.15 H new ATOM 366 N PRO A 22 -11.702 6.499 -4.548 1.00 12.21 N ATOM 367 CA PRO A 22 -11.664 5.741 -5.829 1.00 22.21 C ATOM 368 C PRO A 22 -10.533 6.215 -6.773 1.00 53.44 C ATOM 369 O PRO A 22 -10.312 5.618 -7.832 1.00 2.11 O ATOM 370 CB PRO A 22 -13.073 6.017 -6.416 1.00 51.42 C ATOM 371 CG PRO A 22 -13.438 7.389 -5.913 1.00 54.15 C ATOM 372 CD PRO A 22 -12.817 7.495 -4.527 1.00 73.33 C ATOM 0 HA PRO A 22 -11.447 4.682 -5.692 1.00 22.21 H new ATOM 0 HB2 PRO A 22 -13.061 5.986 -7.505 1.00 51.42 H new ATOM 0 HB3 PRO A 22 -13.793 5.269 -6.084 1.00 51.42 H new ATOM 0 HG2 PRO A 22 -13.053 8.165 -6.575 1.00 54.15 H new ATOM 0 HG3 PRO A 22 -14.520 7.515 -5.869 1.00 54.15 H new ATOM 0 HD2 PRO A 22 -12.448 8.502 -4.332 1.00 73.33 H new ATOM 0 HD3 PRO A 22 -13.542 7.264 -3.747 1.00 73.33 H new ATOM 380 N GLN A 23 -9.823 7.280 -6.358 1.00 61.21 N ATOM 381 CA GLN A 23 -8.725 7.893 -7.128 1.00 44.33 C ATOM 382 C GLN A 23 -7.390 7.157 -6.895 1.00 50.34 C ATOM 383 O GLN A 23 -6.537 7.123 -7.786 1.00 71.12 O ATOM 384 CB GLN A 23 -8.595 9.396 -6.749 1.00 60.41 C ATOM 385 CG GLN A 23 -8.325 9.673 -5.248 1.00 24.25 C ATOM 386 CD GLN A 23 -8.211 11.162 -4.933 1.00 63.21 C ATOM 387 OE1 GLN A 23 -7.128 11.739 -4.970 1.00 72.54 O ATOM 388 NE2 GLN A 23 -9.329 11.794 -4.627 1.00 53.10 N ATOM 0 H GLN A 23 -9.998 7.745 -5.467 1.00 61.21 H new ATOM 0 HA GLN A 23 -8.962 7.808 -8.189 1.00 44.33 H new ATOM 0 HB2 GLN A 23 -7.787 9.834 -7.335 1.00 60.41 H new ATOM 0 HB3 GLN A 23 -9.512 9.909 -7.038 1.00 60.41 H new ATOM 0 HG2 GLN A 23 -9.130 9.241 -4.653 1.00 24.25 H new ATOM 0 HG3 GLN A 23 -7.404 9.172 -4.951 1.00 24.25 H new ATOM 0 HE21 GLN A 23 -10.213 11.285 -4.605 1.00 53.10 H new ATOM 0 HE22 GLN A 23 -9.309 12.791 -4.413 1.00 53.10 H new ATOM 397 N VAL A 24 -7.219 6.562 -5.694 1.00 43.11 N ATOM 398 CA VAL A 24 -5.967 5.869 -5.310 1.00 61.00 C ATOM 399 C VAL A 24 -6.010 4.388 -5.744 1.00 41.25 C ATOM 400 O VAL A 24 -7.091 3.822 -5.963 1.00 50.03 O ATOM 401 CB VAL A 24 -5.677 5.977 -3.758 1.00 4.40 C ATOM 402 CG1 VAL A 24 -5.536 7.454 -3.315 1.00 43.53 C ATOM 403 CG2 VAL A 24 -6.756 5.249 -2.913 1.00 5.53 C ATOM 0 H VAL A 24 -7.936 6.548 -4.969 1.00 43.11 H new ATOM 0 HA VAL A 24 -5.151 6.370 -5.831 1.00 61.00 H new ATOM 0 HB VAL A 24 -4.727 5.474 -3.577 1.00 4.40 H new ATOM 0 HG11 VAL A 24 -5.337 7.495 -2.244 1.00 43.53 H new ATOM 0 HG12 VAL A 24 -4.711 7.919 -3.855 1.00 43.53 H new ATOM 0 HG13 VAL A 24 -6.460 7.989 -3.533 1.00 43.53 H new ATOM 0 HG21 VAL A 24 -6.517 5.349 -1.854 1.00 5.53 H new ATOM 0 HG22 VAL A 24 -7.732 5.693 -3.108 1.00 5.53 H new ATOM 0 HG23 VAL A 24 -6.778 4.193 -3.182 1.00 5.53 H new ATOM 413 N GLU A 25 -4.818 3.781 -5.877 1.00 1.10 N ATOM 414 CA GLU A 25 -4.668 2.369 -6.288 1.00 70.33 C ATOM 415 C GLU A 25 -4.499 1.480 -5.052 1.00 70.45 C ATOM 416 O GLU A 25 -3.457 1.517 -4.400 1.00 20.24 O ATOM 417 CB GLU A 25 -3.452 2.200 -7.230 1.00 70.21 C ATOM 418 CG GLU A 25 -3.531 3.047 -8.507 1.00 61.11 C ATOM 419 CD GLU A 25 -2.402 2.738 -9.491 1.00 62.03 C ATOM 420 OE1 GLU A 25 -2.294 1.572 -9.914 1.00 45.02 O ATOM 421 OE2 GLU A 25 -1.594 3.631 -9.834 1.00 75.22 O ATOM 0 H GLU A 25 -3.930 4.253 -5.703 1.00 1.10 H new ATOM 0 HA GLU A 25 -5.567 2.069 -6.827 1.00 70.33 H new ATOM 0 HB2 GLU A 25 -2.545 2.464 -6.687 1.00 70.21 H new ATOM 0 HB3 GLU A 25 -3.363 1.150 -7.508 1.00 70.21 H new ATOM 0 HG2 GLU A 25 -4.490 2.873 -8.995 1.00 61.11 H new ATOM 0 HG3 GLU A 25 -3.496 4.103 -8.240 1.00 61.11 H new ATOM 428 N VAL A 26 -5.524 0.677 -4.748 1.00 24.33 N ATOM 429 CA VAL A 26 -5.529 -0.218 -3.580 1.00 4.45 C ATOM 430 C VAL A 26 -5.281 -1.664 -4.054 1.00 63.13 C ATOM 431 O VAL A 26 -6.158 -2.286 -4.664 1.00 1.45 O ATOM 432 CB VAL A 26 -6.879 -0.121 -2.775 1.00 55.20 C ATOM 433 CG1 VAL A 26 -6.770 -0.857 -1.413 1.00 52.14 C ATOM 434 CG2 VAL A 26 -7.301 1.359 -2.585 1.00 52.21 C ATOM 0 H VAL A 26 -6.377 0.627 -5.305 1.00 24.33 H new ATOM 0 HA VAL A 26 -4.733 0.090 -2.902 1.00 4.45 H new ATOM 0 HB VAL A 26 -7.657 -0.618 -3.355 1.00 55.20 H new ATOM 0 HG11 VAL A 26 -7.716 -0.774 -0.878 1.00 52.14 H new ATOM 0 HG12 VAL A 26 -6.541 -1.909 -1.585 1.00 52.14 H new ATOM 0 HG13 VAL A 26 -5.976 -0.406 -0.818 1.00 52.14 H new ATOM 0 HG21 VAL A 26 -8.236 1.402 -2.026 1.00 52.21 H new ATOM 0 HG22 VAL A 26 -6.525 1.891 -2.035 1.00 52.21 H new ATOM 0 HG23 VAL A 26 -7.439 1.826 -3.560 1.00 52.21 H new ATOM 444 N ARG A 27 -4.073 -2.186 -3.772 1.00 31.40 N ATOM 445 CA ARG A 27 -3.591 -3.486 -4.288 1.00 50.24 C ATOM 446 C ARG A 27 -3.660 -4.578 -3.206 1.00 13.12 C ATOM 447 O ARG A 27 -3.201 -4.369 -2.090 1.00 10.41 O ATOM 448 CB ARG A 27 -2.142 -3.316 -4.815 1.00 64.05 C ATOM 449 CG ARG A 27 -2.017 -2.324 -6.007 1.00 55.21 C ATOM 450 CD ARG A 27 -2.910 -2.729 -7.200 1.00 33.44 C ATOM 451 NE ARG A 27 -2.804 -1.795 -8.341 1.00 72.33 N ATOM 452 CZ ARG A 27 -2.210 -2.076 -9.512 1.00 31.53 C ATOM 453 NH1 ARG A 27 -1.651 -3.257 -9.728 1.00 5.03 N ATOM 454 NH2 ARG A 27 -2.218 -1.189 -10.479 1.00 23.53 N ATOM 0 H ARG A 27 -3.395 -1.714 -3.173 1.00 31.40 H new ATOM 0 HA ARG A 27 -4.238 -3.806 -5.105 1.00 50.24 H new ATOM 0 HB2 ARG A 27 -1.507 -2.970 -3.999 1.00 64.05 H new ATOM 0 HB3 ARG A 27 -1.762 -4.290 -5.124 1.00 64.05 H new ATOM 0 HG2 ARG A 27 -2.291 -1.323 -5.674 1.00 55.21 H new ATOM 0 HG3 ARG A 27 -0.978 -2.279 -6.332 1.00 55.21 H new ATOM 0 HD2 ARG A 27 -2.634 -3.731 -7.530 1.00 33.44 H new ATOM 0 HD3 ARG A 27 -3.948 -2.776 -6.871 1.00 33.44 H new ATOM 0 HE ARG A 27 -3.213 -0.867 -8.230 1.00 72.33 H new ATOM 0 HH11 ARG A 27 -1.667 -3.970 -8.999 1.00 5.03 H new ATOM 0 HH12 ARG A 27 -1.204 -3.454 -10.624 1.00 5.03 H new ATOM 0 HH21 ARG A 27 -2.675 -0.288 -10.341 1.00 23.53 H new ATOM 0 HH22 ARG A 27 -1.767 -1.401 -11.369 1.00 23.53 H new ATOM 468 N LEU A 28 -4.219 -5.747 -3.568 1.00 61.21 N ATOM 469 CA LEU A 28 -4.378 -6.904 -2.667 1.00 31.24 C ATOM 470 C LEU A 28 -3.108 -7.783 -2.688 1.00 60.10 C ATOM 471 O LEU A 28 -2.533 -8.027 -3.756 1.00 62.14 O ATOM 472 CB LEU A 28 -5.604 -7.747 -3.103 1.00 71.53 C ATOM 473 CG LEU A 28 -5.904 -9.031 -2.254 1.00 62.23 C ATOM 474 CD1 LEU A 28 -6.310 -8.672 -0.810 1.00 44.24 C ATOM 475 CD2 LEU A 28 -6.957 -9.920 -2.942 1.00 63.53 C ATOM 0 H LEU A 28 -4.578 -5.917 -4.507 1.00 61.21 H new ATOM 0 HA LEU A 28 -4.534 -6.536 -1.653 1.00 31.24 H new ATOM 0 HB2 LEU A 28 -6.486 -7.107 -3.077 1.00 71.53 H new ATOM 0 HB3 LEU A 28 -5.460 -8.049 -4.140 1.00 71.53 H new ATOM 0 HG LEU A 28 -4.982 -9.610 -2.191 1.00 62.23 H new ATOM 0 HD11 LEU A 28 -6.510 -9.586 -0.251 1.00 44.24 H new ATOM 0 HD12 LEU A 28 -5.500 -8.123 -0.330 1.00 44.24 H new ATOM 0 HD13 LEU A 28 -7.207 -8.053 -0.827 1.00 44.24 H new ATOM 0 HD21 LEU A 28 -7.144 -10.802 -2.330 1.00 63.53 H new ATOM 0 HD22 LEU A 28 -7.884 -9.359 -3.063 1.00 63.53 H new ATOM 0 HD23 LEU A 28 -6.589 -10.229 -3.921 1.00 63.53 H new ATOM 487 N VAL A 29 -2.696 -8.244 -1.498 1.00 4.24 N ATOM 488 CA VAL A 29 -1.551 -9.151 -1.305 1.00 13.31 C ATOM 489 C VAL A 29 -1.997 -10.332 -0.421 1.00 4.51 C ATOM 490 O VAL A 29 -2.276 -10.149 0.767 1.00 51.12 O ATOM 491 CB VAL A 29 -0.319 -8.382 -0.665 1.00 42.43 C ATOM 492 CG1 VAL A 29 0.799 -9.343 -0.179 1.00 54.43 C ATOM 493 CG2 VAL A 29 0.261 -7.355 -1.672 1.00 2.41 C ATOM 0 H VAL A 29 -3.158 -7.993 -0.624 1.00 4.24 H new ATOM 0 HA VAL A 29 -1.220 -9.532 -2.271 1.00 13.31 H new ATOM 0 HB VAL A 29 -0.696 -7.858 0.213 1.00 42.43 H new ATOM 0 HG11 VAL A 29 1.616 -8.763 0.250 1.00 54.43 H new ATOM 0 HG12 VAL A 29 0.396 -10.017 0.577 1.00 54.43 H new ATOM 0 HG13 VAL A 29 1.170 -9.925 -1.022 1.00 54.43 H new ATOM 0 HG21 VAL A 29 1.105 -6.836 -1.217 1.00 2.41 H new ATOM 0 HG22 VAL A 29 0.595 -7.875 -2.570 1.00 2.41 H new ATOM 0 HG23 VAL A 29 -0.509 -6.631 -1.938 1.00 2.41 H new ATOM 503 N THR A 30 -2.111 -11.530 -1.026 1.00 22.13 N ATOM 504 CA THR A 30 -2.475 -12.772 -0.308 1.00 10.12 C ATOM 505 C THR A 30 -1.220 -13.606 0.038 1.00 14.34 C ATOM 506 O THR A 30 -1.198 -14.322 1.044 1.00 33.42 O ATOM 507 CB THR A 30 -3.479 -13.627 -1.157 1.00 54.51 C ATOM 508 OG1 THR A 30 -2.910 -13.935 -2.445 1.00 11.02 O ATOM 509 CG2 THR A 30 -4.823 -12.899 -1.356 1.00 70.20 C ATOM 0 H THR A 30 -1.954 -11.667 -2.025 1.00 22.13 H new ATOM 0 HA THR A 30 -2.960 -12.487 0.625 1.00 10.12 H new ATOM 0 HB THR A 30 -3.666 -14.548 -0.605 1.00 54.51 H new ATOM 0 HG1 THR A 30 -2.056 -13.465 -2.546 1.00 11.02 H new ATOM 0 HG21 THR A 30 -5.491 -13.524 -1.949 1.00 70.20 H new ATOM 0 HG22 THR A 30 -5.277 -12.702 -0.385 1.00 70.20 H new ATOM 0 HG23 THR A 30 -4.653 -11.956 -1.875 1.00 70.20 H new ATOM 517 N THR A 31 -0.177 -13.500 -0.810 1.00 35.02 N ATOM 518 CA THR A 31 1.098 -14.248 -0.661 1.00 22.00 C ATOM 519 C THR A 31 2.285 -13.272 -0.727 1.00 20.34 C ATOM 520 O THR A 31 2.103 -12.083 -1.024 1.00 75.21 O ATOM 521 CB THR A 31 1.274 -15.331 -1.783 1.00 45.22 C ATOM 522 OG1 THR A 31 1.374 -14.691 -3.069 1.00 74.04 O ATOM 523 CG2 THR A 31 0.117 -16.351 -1.803 1.00 51.42 C ATOM 0 H THR A 31 -0.191 -12.889 -1.626 1.00 35.02 H new ATOM 0 HA THR A 31 1.069 -14.752 0.305 1.00 22.00 H new ATOM 0 HB THR A 31 2.190 -15.878 -1.562 1.00 45.22 H new ATOM 0 HG1 THR A 31 0.662 -14.023 -3.158 1.00 74.04 H new ATOM 0 HG21 THR A 31 0.287 -17.078 -2.597 1.00 51.42 H new ATOM 0 HG22 THR A 31 0.069 -16.866 -0.843 1.00 51.42 H new ATOM 0 HG23 THR A 31 -0.824 -15.831 -1.983 1.00 51.42 H new ATOM 531 N GLU A 32 3.502 -13.789 -0.457 1.00 51.10 N ATOM 532 CA GLU A 32 4.758 -13.018 -0.566 1.00 13.53 C ATOM 533 C GLU A 32 4.927 -12.437 -1.988 1.00 63.33 C ATOM 534 O GLU A 32 5.251 -11.253 -2.156 1.00 41.41 O ATOM 535 CB GLU A 32 5.975 -13.930 -0.246 1.00 30.15 C ATOM 536 CG GLU A 32 7.352 -13.236 -0.361 1.00 44.54 C ATOM 537 CD GLU A 32 8.535 -14.219 -0.363 1.00 42.24 C ATOM 538 OE1 GLU A 32 8.892 -14.727 0.716 1.00 50.12 O ATOM 539 OE2 GLU A 32 9.113 -14.494 -1.441 1.00 10.42 O ATOM 0 H GLU A 32 3.641 -14.754 -0.157 1.00 51.10 H new ATOM 0 HA GLU A 32 4.710 -12.198 0.151 1.00 13.53 H new ATOM 0 HB2 GLU A 32 5.863 -14.320 0.766 1.00 30.15 H new ATOM 0 HB3 GLU A 32 5.957 -14.786 -0.921 1.00 30.15 H new ATOM 0 HG2 GLU A 32 7.378 -12.647 -1.278 1.00 44.54 H new ATOM 0 HG3 GLU A 32 7.470 -12.540 0.469 1.00 44.54 H new ATOM 546 N GLU A 33 4.662 -13.295 -2.996 1.00 51.51 N ATOM 547 CA GLU A 33 4.923 -12.996 -4.418 1.00 73.12 C ATOM 548 C GLU A 33 4.075 -11.826 -4.933 1.00 2.42 C ATOM 549 O GLU A 33 4.530 -11.090 -5.807 1.00 52.13 O ATOM 550 CB GLU A 33 4.709 -14.259 -5.286 1.00 13.23 C ATOM 551 CG GLU A 33 5.633 -15.426 -4.902 1.00 43.45 C ATOM 552 CD GLU A 33 5.555 -16.599 -5.888 1.00 25.33 C ATOM 553 OE1 GLU A 33 4.698 -17.488 -5.711 1.00 44.33 O ATOM 554 OE2 GLU A 33 6.359 -16.630 -6.851 1.00 73.50 O ATOM 0 H GLU A 33 4.259 -14.219 -2.844 1.00 51.51 H new ATOM 0 HA GLU A 33 5.966 -12.688 -4.498 1.00 73.12 H new ATOM 0 HB2 GLU A 33 3.672 -14.582 -5.196 1.00 13.23 H new ATOM 0 HB3 GLU A 33 4.874 -14.004 -6.333 1.00 13.23 H new ATOM 0 HG2 GLU A 33 6.661 -15.067 -4.852 1.00 43.45 H new ATOM 0 HG3 GLU A 33 5.370 -15.778 -3.905 1.00 43.45 H new ATOM 561 N ASP A 34 2.857 -11.651 -4.365 1.00 11.41 N ATOM 562 CA ASP A 34 1.971 -10.513 -4.711 1.00 74.33 C ATOM 563 C ASP A 34 2.652 -9.190 -4.355 1.00 3.34 C ATOM 564 O ASP A 34 2.645 -8.262 -5.156 1.00 3.42 O ATOM 565 CB ASP A 34 0.601 -10.589 -3.989 1.00 61.31 C ATOM 566 CG ASP A 34 -0.250 -11.784 -4.423 1.00 52.34 C ATOM 567 OD1 ASP A 34 -0.573 -11.889 -5.630 1.00 13.34 O ATOM 568 OD2 ASP A 34 -0.638 -12.595 -3.561 1.00 30.35 O ATOM 0 H ASP A 34 2.466 -12.283 -3.666 1.00 11.41 H new ATOM 0 HA ASP A 34 1.788 -10.569 -5.784 1.00 74.33 H new ATOM 0 HB2 ASP A 34 0.768 -10.643 -2.913 1.00 61.31 H new ATOM 0 HB3 ASP A 34 0.047 -9.670 -4.179 1.00 61.31 H new ATOM 573 N ALA A 35 3.259 -9.141 -3.151 1.00 42.23 N ATOM 574 CA ALA A 35 3.976 -7.951 -2.648 1.00 54.30 C ATOM 575 C ALA A 35 5.213 -7.652 -3.513 1.00 33.22 C ATOM 576 O ALA A 35 5.547 -6.490 -3.745 1.00 52.40 O ATOM 577 CB ALA A 35 4.376 -8.143 -1.171 1.00 72.23 C ATOM 0 H ALA A 35 3.266 -9.926 -2.500 1.00 42.23 H new ATOM 0 HA ALA A 35 3.304 -7.095 -2.712 1.00 54.30 H new ATOM 0 HB1 ALA A 35 4.903 -7.256 -0.819 1.00 72.23 H new ATOM 0 HB2 ALA A 35 3.481 -8.297 -0.569 1.00 72.23 H new ATOM 0 HB3 ALA A 35 5.028 -9.012 -1.081 1.00 72.23 H new ATOM 583 N LYS A 36 5.872 -8.724 -3.985 1.00 34.01 N ATOM 584 CA LYS A 36 7.064 -8.638 -4.857 1.00 13.45 C ATOM 585 C LYS A 36 6.694 -8.128 -6.262 1.00 12.35 C ATOM 586 O LYS A 36 7.504 -7.470 -6.929 1.00 35.40 O ATOM 587 CB LYS A 36 7.733 -10.030 -4.943 1.00 41.13 C ATOM 588 CG LYS A 36 8.129 -10.592 -3.565 1.00 42.32 C ATOM 589 CD LYS A 36 8.615 -12.053 -3.614 1.00 2.42 C ATOM 590 CE LYS A 36 9.978 -12.247 -4.290 1.00 32.02 C ATOM 591 NZ LYS A 36 10.452 -13.652 -4.152 1.00 23.15 N ATOM 0 H LYS A 36 5.594 -9.682 -3.773 1.00 34.01 H new ATOM 0 HA LYS A 36 7.764 -7.923 -4.425 1.00 13.45 H new ATOM 0 HB2 LYS A 36 7.050 -10.726 -5.431 1.00 41.13 H new ATOM 0 HB3 LYS A 36 8.621 -9.962 -5.571 1.00 41.13 H new ATOM 0 HG2 LYS A 36 8.916 -9.969 -3.140 1.00 42.32 H new ATOM 0 HG3 LYS A 36 7.273 -10.525 -2.894 1.00 42.32 H new ATOM 0 HD2 LYS A 36 8.670 -12.439 -2.596 1.00 2.42 H new ATOM 0 HD3 LYS A 36 7.873 -12.652 -4.142 1.00 2.42 H new ATOM 0 HE2 LYS A 36 9.903 -11.988 -5.346 1.00 32.02 H new ATOM 0 HE3 LYS A 36 10.707 -11.569 -3.846 1.00 32.02 H new ATOM 0 HZ1 LYS A 36 11.491 -13.666 -4.115 1.00 23.15 H new ATOM 0 HZ2 LYS A 36 10.069 -14.063 -3.277 1.00 23.15 H new ATOM 0 HZ3 LYS A 36 10.127 -14.210 -4.968 1.00 23.15 H new ATOM 605 N GLN A 37 5.476 -8.472 -6.712 1.00 63.10 N ATOM 606 CA GLN A 37 4.914 -7.974 -7.981 1.00 2.35 C ATOM 607 C GLN A 37 4.529 -6.490 -7.843 1.00 30.55 C ATOM 608 O GLN A 37 4.713 -5.710 -8.784 1.00 14.33 O ATOM 609 CB GLN A 37 3.697 -8.830 -8.406 1.00 75.24 C ATOM 610 CG GLN A 37 4.052 -10.269 -8.826 1.00 53.45 C ATOM 611 CD GLN A 37 2.819 -11.137 -9.056 1.00 64.15 C ATOM 612 OE1 GLN A 37 2.347 -11.818 -8.149 1.00 13.44 O ATOM 613 NE2 GLN A 37 2.272 -11.103 -10.258 1.00 45.20 N ATOM 0 H GLN A 37 4.853 -9.103 -6.208 1.00 63.10 H new ATOM 0 HA GLN A 37 5.671 -8.058 -8.761 1.00 2.35 H new ATOM 0 HB2 GLN A 37 2.988 -8.869 -7.579 1.00 75.24 H new ATOM 0 HB3 GLN A 37 3.191 -8.336 -9.236 1.00 75.24 H new ATOM 0 HG2 GLN A 37 4.646 -10.240 -9.739 1.00 53.45 H new ATOM 0 HG3 GLN A 37 4.674 -10.725 -8.055 1.00 53.45 H new ATOM 0 HE21 GLN A 37 2.687 -10.528 -10.991 1.00 45.20 H new ATOM 0 HE22 GLN A 37 1.435 -11.652 -10.453 1.00 45.20 H new ATOM 622 N VAL A 38 4.010 -6.110 -6.651 1.00 11.45 N ATOM 623 CA VAL A 38 3.685 -4.706 -6.327 1.00 1.12 C ATOM 624 C VAL A 38 4.971 -3.852 -6.336 1.00 15.43 C ATOM 625 O VAL A 38 4.930 -2.704 -6.759 1.00 2.30 O ATOM 626 CB VAL A 38 2.916 -4.562 -4.946 1.00 12.32 C ATOM 627 CG1 VAL A 38 2.692 -3.075 -4.560 1.00 23.21 C ATOM 628 CG2 VAL A 38 1.555 -5.306 -4.993 1.00 70.15 C ATOM 0 H VAL A 38 3.807 -6.764 -5.895 1.00 11.45 H new ATOM 0 HA VAL A 38 3.006 -4.340 -7.097 1.00 1.12 H new ATOM 0 HB VAL A 38 3.546 -5.017 -4.181 1.00 12.32 H new ATOM 0 HG11 VAL A 38 2.163 -3.022 -3.609 1.00 23.21 H new ATOM 0 HG12 VAL A 38 3.656 -2.574 -4.467 1.00 23.21 H new ATOM 0 HG13 VAL A 38 2.100 -2.584 -5.332 1.00 23.21 H new ATOM 0 HG21 VAL A 38 1.046 -5.194 -4.036 1.00 70.15 H new ATOM 0 HG22 VAL A 38 0.937 -4.884 -5.785 1.00 70.15 H new ATOM 0 HG23 VAL A 38 1.725 -6.364 -5.191 1.00 70.15 H new ATOM 638 N ILE A 39 6.117 -4.440 -5.909 1.00 33.41 N ATOM 639 CA ILE A 39 7.453 -3.793 -6.006 1.00 63.42 C ATOM 640 C ILE A 39 7.732 -3.361 -7.464 1.00 5.31 C ATOM 641 O ILE A 39 8.150 -2.228 -7.713 1.00 21.13 O ATOM 642 CB ILE A 39 8.599 -4.756 -5.481 1.00 0.54 C ATOM 643 CG1 ILE A 39 8.441 -5.015 -3.952 1.00 5.21 C ATOM 644 CG2 ILE A 39 10.023 -4.228 -5.797 1.00 13.25 C ATOM 645 CD1 ILE A 39 9.445 -5.990 -3.344 1.00 72.43 C ATOM 0 H ILE A 39 6.143 -5.370 -5.490 1.00 33.41 H new ATOM 0 HA ILE A 39 7.447 -2.907 -5.371 1.00 63.42 H new ATOM 0 HB ILE A 39 8.486 -5.697 -6.019 1.00 0.54 H new ATOM 0 HG12 ILE A 39 8.524 -4.062 -3.429 1.00 5.21 H new ATOM 0 HG13 ILE A 39 7.436 -5.393 -3.767 1.00 5.21 H new ATOM 0 HG21 ILE A 39 10.764 -4.929 -5.414 1.00 13.25 H new ATOM 0 HG22 ILE A 39 10.143 -4.127 -6.876 1.00 13.25 H new ATOM 0 HG23 ILE A 39 10.164 -3.256 -5.324 1.00 13.25 H new ATOM 0 HD11 ILE A 39 9.247 -6.099 -2.278 1.00 72.43 H new ATOM 0 HD12 ILE A 39 9.351 -6.960 -3.831 1.00 72.43 H new ATOM 0 HD13 ILE A 39 10.456 -5.608 -3.488 1.00 72.43 H new ATOM 657 N LYS A 40 7.448 -4.270 -8.415 1.00 73.13 N ATOM 658 CA LYS A 40 7.668 -4.039 -9.859 1.00 34.33 C ATOM 659 C LYS A 40 6.716 -2.940 -10.389 1.00 72.04 C ATOM 660 O LYS A 40 7.141 -2.055 -11.132 1.00 33.13 O ATOM 661 CB LYS A 40 7.473 -5.365 -10.648 1.00 14.45 C ATOM 662 CG LYS A 40 8.352 -6.540 -10.151 1.00 51.44 C ATOM 663 CD LYS A 40 9.882 -6.291 -10.280 1.00 61.31 C ATOM 664 CE LYS A 40 10.418 -6.399 -11.727 1.00 23.40 C ATOM 665 NZ LYS A 40 9.947 -5.310 -12.621 1.00 24.15 N ATOM 0 H LYS A 40 7.058 -5.189 -8.205 1.00 73.13 H new ATOM 0 HA LYS A 40 8.692 -3.695 -10.005 1.00 34.33 H new ATOM 0 HB2 LYS A 40 6.425 -5.660 -10.587 1.00 14.45 H new ATOM 0 HB3 LYS A 40 7.692 -5.183 -11.700 1.00 14.45 H new ATOM 0 HG2 LYS A 40 8.115 -6.740 -9.106 1.00 51.44 H new ATOM 0 HG3 LYS A 40 8.092 -7.437 -10.714 1.00 51.44 H new ATOM 0 HD2 LYS A 40 10.112 -5.299 -9.892 1.00 61.31 H new ATOM 0 HD3 LYS A 40 10.411 -7.009 -9.653 1.00 61.31 H new ATOM 0 HE2 LYS A 40 11.508 -6.392 -11.703 1.00 23.40 H new ATOM 0 HE3 LYS A 40 10.115 -7.358 -12.147 1.00 23.40 H new ATOM 0 HZ1 LYS A 40 10.711 -5.042 -13.274 1.00 24.15 H new ATOM 0 HZ2 LYS A 40 9.125 -5.640 -13.167 1.00 24.15 H new ATOM 0 HZ3 LYS A 40 9.674 -4.485 -12.049 1.00 24.15 H new ATOM 679 N GLU A 41 5.439 -3.022 -9.962 1.00 74.20 N ATOM 680 CA GLU A 41 4.351 -2.072 -10.312 1.00 21.13 C ATOM 681 C GLU A 41 4.737 -0.621 -9.909 1.00 34.11 C ATOM 682 O GLU A 41 4.631 0.334 -10.712 1.00 12.35 O ATOM 683 CB GLU A 41 3.069 -2.541 -9.555 1.00 45.53 C ATOM 684 CG GLU A 41 1.814 -1.647 -9.687 1.00 2.13 C ATOM 685 CD GLU A 41 1.194 -1.626 -11.099 1.00 63.14 C ATOM 686 OE1 GLU A 41 0.562 -2.627 -11.494 1.00 24.20 O ATOM 687 OE2 GLU A 41 1.292 -0.602 -11.800 1.00 23.04 O ATOM 0 H GLU A 41 5.122 -3.771 -9.346 1.00 74.20 H new ATOM 0 HA GLU A 41 4.176 -2.065 -11.388 1.00 21.13 H new ATOM 0 HB2 GLU A 41 2.813 -3.540 -9.908 1.00 45.53 H new ATOM 0 HB3 GLU A 41 3.313 -2.630 -8.496 1.00 45.53 H new ATOM 0 HG2 GLU A 41 1.061 -1.991 -8.978 1.00 2.13 H new ATOM 0 HG3 GLU A 41 2.077 -0.628 -9.403 1.00 2.13 H new ATOM 694 N ILE A 42 5.194 -0.502 -8.648 1.00 71.11 N ATOM 695 CA ILE A 42 5.689 0.742 -8.039 1.00 41.24 C ATOM 696 C ILE A 42 6.782 1.382 -8.906 1.00 61.24 C ATOM 697 O ILE A 42 6.666 2.543 -9.268 1.00 42.23 O ATOM 698 CB ILE A 42 6.250 0.470 -6.581 1.00 12.15 C ATOM 699 CG1 ILE A 42 5.097 0.131 -5.579 1.00 3.34 C ATOM 700 CG2 ILE A 42 7.104 1.650 -6.055 1.00 61.53 C ATOM 701 CD1 ILE A 42 5.564 -0.397 -4.222 1.00 14.45 C ATOM 0 H ILE A 42 5.229 -1.295 -8.007 1.00 71.11 H new ATOM 0 HA ILE A 42 4.849 1.433 -7.971 1.00 41.24 H new ATOM 0 HB ILE A 42 6.904 -0.399 -6.654 1.00 12.15 H new ATOM 0 HG12 ILE A 42 4.499 1.028 -5.418 1.00 3.34 H new ATOM 0 HG13 ILE A 42 4.443 -0.611 -6.037 1.00 3.34 H new ATOM 0 HG21 ILE A 42 7.467 1.419 -5.053 1.00 61.53 H new ATOM 0 HG22 ILE A 42 7.953 1.810 -6.720 1.00 61.53 H new ATOM 0 HG23 ILE A 42 6.495 2.553 -6.021 1.00 61.53 H new ATOM 0 HD11 ILE A 42 4.697 -0.604 -3.594 1.00 14.45 H new ATOM 0 HD12 ILE A 42 6.136 -1.314 -4.366 1.00 14.45 H new ATOM 0 HD13 ILE A 42 6.192 0.350 -3.737 1.00 14.45 H new ATOM 713 N GLN A 43 7.818 0.592 -9.239 1.00 23.21 N ATOM 714 CA GLN A 43 9.015 1.078 -9.958 1.00 35.35 C ATOM 715 C GLN A 43 8.680 1.469 -11.410 1.00 1.54 C ATOM 716 O GLN A 43 9.270 2.418 -11.949 1.00 75.33 O ATOM 717 CB GLN A 43 10.121 -0.002 -9.920 1.00 20.54 C ATOM 718 CG GLN A 43 10.575 -0.373 -8.497 1.00 13.42 C ATOM 719 CD GLN A 43 11.565 -1.531 -8.477 1.00 65.24 C ATOM 720 OE1 GLN A 43 12.768 -1.332 -8.509 1.00 43.23 O ATOM 721 NE2 GLN A 43 11.060 -2.752 -8.467 1.00 71.15 N ATOM 0 H GLN A 43 7.851 -0.403 -9.018 1.00 23.21 H new ATOM 0 HA GLN A 43 9.377 1.976 -9.457 1.00 35.35 H new ATOM 0 HB2 GLN A 43 9.758 -0.899 -10.421 1.00 20.54 H new ATOM 0 HB3 GLN A 43 10.982 0.353 -10.486 1.00 20.54 H new ATOM 0 HG2 GLN A 43 11.032 0.498 -8.028 1.00 13.42 H new ATOM 0 HG3 GLN A 43 9.703 -0.636 -7.899 1.00 13.42 H new ATOM 0 HE21 GLN A 43 10.049 -2.886 -8.440 1.00 71.15 H new ATOM 0 HE22 GLN A 43 11.681 -3.561 -8.486 1.00 71.15 H new ATOM 730 N LYS A 44 7.722 0.733 -12.023 1.00 53.41 N ATOM 731 CA LYS A 44 7.207 1.019 -13.383 1.00 61.01 C ATOM 732 C LYS A 44 6.654 2.447 -13.476 1.00 2.11 C ATOM 733 O LYS A 44 6.963 3.177 -14.424 1.00 13.02 O ATOM 734 CB LYS A 44 6.110 -0.012 -13.798 1.00 53.21 C ATOM 735 CG LYS A 44 6.647 -1.383 -14.263 1.00 71.43 C ATOM 736 CD LYS A 44 7.431 -1.293 -15.599 1.00 21.13 C ATOM 737 CE LYS A 44 7.801 -2.674 -16.174 1.00 12.44 C ATOM 738 NZ LYS A 44 6.600 -3.505 -16.449 1.00 72.53 N ATOM 0 H LYS A 44 7.284 -0.078 -11.586 1.00 53.41 H new ATOM 0 HA LYS A 44 8.044 0.928 -14.075 1.00 61.01 H new ATOM 0 HB2 LYS A 44 5.441 -0.169 -12.952 1.00 53.21 H new ATOM 0 HB3 LYS A 44 5.513 0.419 -14.601 1.00 53.21 H new ATOM 0 HG2 LYS A 44 7.297 -1.796 -13.491 1.00 71.43 H new ATOM 0 HG3 LYS A 44 5.813 -2.075 -14.381 1.00 71.43 H new ATOM 0 HD2 LYS A 44 6.832 -0.750 -16.330 1.00 21.13 H new ATOM 0 HD3 LYS A 44 8.342 -0.715 -15.441 1.00 21.13 H new ATOM 0 HE2 LYS A 44 8.369 -2.542 -17.095 1.00 12.44 H new ATOM 0 HE3 LYS A 44 8.450 -3.197 -15.471 1.00 12.44 H new ATOM 0 HZ1 LYS A 44 6.864 -4.305 -17.059 1.00 72.53 H new ATOM 0 HZ2 LYS A 44 6.214 -3.865 -15.553 1.00 72.53 H new ATOM 0 HZ3 LYS A 44 5.880 -2.927 -16.928 1.00 72.53 H new ATOM 752 N LYS A 45 5.835 2.831 -12.483 1.00 64.41 N ATOM 753 CA LYS A 45 5.237 4.189 -12.420 1.00 13.11 C ATOM 754 C LYS A 45 6.167 5.193 -11.710 1.00 1.52 C ATOM 755 O LYS A 45 6.062 6.404 -11.929 1.00 75.43 O ATOM 756 CB LYS A 45 3.864 4.111 -11.710 1.00 22.44 C ATOM 757 CG LYS A 45 2.854 3.208 -12.450 1.00 34.11 C ATOM 758 CD LYS A 45 1.550 2.952 -11.666 1.00 44.03 C ATOM 759 CE LYS A 45 1.798 2.275 -10.302 1.00 3.01 C ATOM 760 NZ LYS A 45 0.588 1.594 -9.800 1.00 32.11 N ATOM 0 H LYS A 45 5.567 2.224 -11.708 1.00 64.41 H new ATOM 0 HA LYS A 45 5.099 4.553 -13.438 1.00 13.11 H new ATOM 0 HB2 LYS A 45 4.006 3.734 -10.697 1.00 22.44 H new ATOM 0 HB3 LYS A 45 3.449 5.115 -11.622 1.00 22.44 H new ATOM 0 HG2 LYS A 45 2.606 3.666 -13.408 1.00 34.11 H new ATOM 0 HG3 LYS A 45 3.329 2.251 -12.668 1.00 34.11 H new ATOM 0 HD2 LYS A 45 1.034 3.899 -11.508 1.00 44.03 H new ATOM 0 HD3 LYS A 45 0.889 2.324 -12.264 1.00 44.03 H new ATOM 0 HE2 LYS A 45 2.609 1.553 -10.397 1.00 3.01 H new ATOM 0 HE3 LYS A 45 2.121 3.023 -9.578 1.00 3.01 H new ATOM 0 HZ1 LYS A 45 0.656 1.480 -8.769 1.00 32.11 H new ATOM 0 HZ2 LYS A 45 -0.251 2.163 -10.031 1.00 32.11 H new ATOM 0 HZ3 LYS A 45 0.506 0.658 -10.247 1.00 32.11 H new ATOM 774 N GLY A 46 7.090 4.679 -10.885 1.00 44.34 N ATOM 775 CA GLY A 46 7.953 5.520 -10.056 1.00 54.12 C ATOM 776 C GLY A 46 7.195 6.128 -8.879 1.00 34.10 C ATOM 777 O GLY A 46 7.267 7.340 -8.650 1.00 14.22 O ATOM 0 H GLY A 46 7.256 3.678 -10.777 1.00 44.34 H new ATOM 0 HA2 GLY A 46 8.788 4.927 -9.683 1.00 54.12 H new ATOM 0 HA3 GLY A 46 8.377 6.318 -10.666 1.00 54.12 H new ATOM 781 N VAL A 47 6.445 5.276 -8.149 1.00 3.31 N ATOM 782 CA VAL A 47 5.586 5.707 -7.030 1.00 71.52 C ATOM 783 C VAL A 47 6.459 6.146 -5.838 1.00 3.31 C ATOM 784 O VAL A 47 7.420 5.456 -5.481 1.00 74.54 O ATOM 785 CB VAL A 47 4.595 4.568 -6.574 1.00 22.01 C ATOM 786 CG1 VAL A 47 3.667 5.033 -5.417 1.00 33.22 C ATOM 787 CG2 VAL A 47 3.766 4.039 -7.768 1.00 42.54 C ATOM 0 H VAL A 47 6.419 4.271 -8.320 1.00 3.31 H new ATOM 0 HA VAL A 47 4.987 6.547 -7.380 1.00 71.52 H new ATOM 0 HB VAL A 47 5.204 3.748 -6.192 1.00 22.01 H new ATOM 0 HG11 VAL A 47 3.001 4.218 -5.135 1.00 33.22 H new ATOM 0 HG12 VAL A 47 4.273 5.321 -4.558 1.00 33.22 H new ATOM 0 HG13 VAL A 47 3.075 5.887 -5.746 1.00 33.22 H new ATOM 0 HG21 VAL A 47 3.092 3.255 -7.424 1.00 42.54 H new ATOM 0 HG22 VAL A 47 3.185 4.855 -8.197 1.00 42.54 H new ATOM 0 HG23 VAL A 47 4.437 3.634 -8.526 1.00 42.54 H new ATOM 797 N GLN A 48 6.100 7.288 -5.238 1.00 45.20 N ATOM 798 CA GLN A 48 6.866 7.922 -4.154 1.00 14.41 C ATOM 799 C GLN A 48 6.461 7.334 -2.792 1.00 63.44 C ATOM 800 O GLN A 48 7.311 6.864 -2.030 1.00 31.44 O ATOM 801 CB GLN A 48 6.623 9.457 -4.188 1.00 2.15 C ATOM 802 CG GLN A 48 7.415 10.274 -3.141 1.00 61.44 C ATOM 803 CD GLN A 48 7.155 11.780 -3.227 1.00 41.24 C ATOM 804 OE1 GLN A 48 6.077 12.220 -3.635 1.00 2.12 O ATOM 805 NE2 GLN A 48 8.129 12.582 -2.821 1.00 61.31 N ATOM 0 H GLN A 48 5.259 7.805 -5.494 1.00 45.20 H new ATOM 0 HA GLN A 48 7.928 7.725 -4.297 1.00 14.41 H new ATOM 0 HB2 GLN A 48 6.877 9.827 -5.181 1.00 2.15 H new ATOM 0 HB3 GLN A 48 5.559 9.643 -4.041 1.00 2.15 H new ATOM 0 HG2 GLN A 48 7.153 9.923 -2.143 1.00 61.44 H new ATOM 0 HG3 GLN A 48 8.481 10.088 -3.275 1.00 61.44 H new ATOM 0 HE21 GLN A 48 9.009 12.188 -2.489 1.00 61.31 H new ATOM 0 HE22 GLN A 48 7.998 13.593 -2.841 1.00 61.31 H new ATOM 814 N LYS A 49 5.149 7.372 -2.504 1.00 3.24 N ATOM 815 CA LYS A 49 4.581 6.977 -1.201 1.00 24.32 C ATOM 816 C LYS A 49 3.649 5.765 -1.363 1.00 64.44 C ATOM 817 O LYS A 49 2.832 5.717 -2.294 1.00 21.45 O ATOM 818 CB LYS A 49 3.809 8.175 -0.595 1.00 3.25 C ATOM 819 CG LYS A 49 4.698 9.382 -0.228 1.00 15.34 C ATOM 820 CD LYS A 49 3.881 10.586 0.285 1.00 42.12 C ATOM 821 CE LYS A 49 3.082 11.276 -0.832 1.00 43.44 C ATOM 822 NZ LYS A 49 3.974 11.934 -1.818 1.00 11.41 N ATOM 0 H LYS A 49 4.445 7.681 -3.175 1.00 3.24 H new ATOM 0 HA LYS A 49 5.391 6.692 -0.529 1.00 24.32 H new ATOM 0 HB2 LYS A 49 3.050 8.500 -1.306 1.00 3.25 H new ATOM 0 HB3 LYS A 49 3.285 7.839 0.300 1.00 3.25 H new ATOM 0 HG2 LYS A 49 5.415 9.082 0.536 1.00 15.34 H new ATOM 0 HG3 LYS A 49 5.273 9.684 -1.103 1.00 15.34 H new ATOM 0 HD2 LYS A 49 3.195 10.250 1.063 1.00 42.12 H new ATOM 0 HD3 LYS A 49 4.555 11.309 0.744 1.00 42.12 H new ATOM 0 HE2 LYS A 49 2.457 10.541 -1.340 1.00 43.44 H new ATOM 0 HE3 LYS A 49 2.412 12.017 -0.396 1.00 43.44 H new ATOM 0 HZ1 LYS A 49 3.409 12.541 -2.446 1.00 11.41 H new ATOM 0 HZ2 LYS A 49 4.677 12.514 -1.317 1.00 11.41 H new ATOM 0 HZ3 LYS A 49 4.461 11.209 -2.383 1.00 11.41 H new ATOM 836 N VAL A 50 3.782 4.794 -0.443 1.00 65.31 N ATOM 837 CA VAL A 50 2.980 3.553 -0.407 1.00 73.15 C ATOM 838 C VAL A 50 2.495 3.295 1.038 1.00 12.04 C ATOM 839 O VAL A 50 3.290 3.332 1.988 1.00 45.14 O ATOM 840 CB VAL A 50 3.814 2.319 -0.937 1.00 23.31 C ATOM 841 CG1 VAL A 50 3.040 0.982 -0.787 1.00 13.04 C ATOM 842 CG2 VAL A 50 4.239 2.534 -2.414 1.00 13.23 C ATOM 0 H VAL A 50 4.464 4.849 0.314 1.00 65.31 H new ATOM 0 HA VAL A 50 2.118 3.676 -1.063 1.00 73.15 H new ATOM 0 HB VAL A 50 4.709 2.250 -0.319 1.00 23.31 H new ATOM 0 HG11 VAL A 50 3.652 0.163 -1.164 1.00 13.04 H new ATOM 0 HG12 VAL A 50 2.812 0.810 0.265 1.00 13.04 H new ATOM 0 HG13 VAL A 50 2.112 1.033 -1.356 1.00 13.04 H new ATOM 0 HG21 VAL A 50 4.812 1.672 -2.757 1.00 13.23 H new ATOM 0 HG22 VAL A 50 3.351 2.650 -3.035 1.00 13.23 H new ATOM 0 HG23 VAL A 50 4.854 3.431 -2.489 1.00 13.23 H new ATOM 852 N VAL A 51 1.182 3.041 1.187 1.00 53.21 N ATOM 853 CA VAL A 51 0.547 2.717 2.476 1.00 65.14 C ATOM 854 C VAL A 51 0.468 1.189 2.647 1.00 52.44 C ATOM 855 O VAL A 51 -0.268 0.523 1.928 1.00 74.41 O ATOM 856 CB VAL A 51 -0.896 3.338 2.585 1.00 1.13 C ATOM 857 CG1 VAL A 51 -1.568 2.987 3.931 1.00 23.00 C ATOM 858 CG2 VAL A 51 -0.861 4.861 2.389 1.00 33.42 C ATOM 0 H VAL A 51 0.526 3.055 0.406 1.00 53.21 H new ATOM 0 HA VAL A 51 1.159 3.148 3.268 1.00 65.14 H new ATOM 0 HB VAL A 51 -1.493 2.900 1.786 1.00 1.13 H new ATOM 0 HG11 VAL A 51 -2.562 3.433 3.969 1.00 23.00 H new ATOM 0 HG12 VAL A 51 -1.653 1.904 4.024 1.00 23.00 H new ATOM 0 HG13 VAL A 51 -0.964 3.376 4.751 1.00 23.00 H new ATOM 0 HG21 VAL A 51 -1.872 5.262 2.470 1.00 33.42 H new ATOM 0 HG22 VAL A 51 -0.230 5.312 3.155 1.00 33.42 H new ATOM 0 HG23 VAL A 51 -0.457 5.092 1.403 1.00 33.42 H new ATOM 868 N LEU A 52 1.235 0.651 3.598 1.00 52.54 N ATOM 869 CA LEU A 52 1.298 -0.790 3.888 1.00 12.54 C ATOM 870 C LEU A 52 0.364 -1.131 5.078 1.00 42.21 C ATOM 871 O LEU A 52 0.697 -0.881 6.242 1.00 52.21 O ATOM 872 CB LEU A 52 2.779 -1.179 4.147 1.00 0.03 C ATOM 873 CG LEU A 52 3.732 -1.018 2.905 1.00 54.31 C ATOM 874 CD1 LEU A 52 5.206 -1.227 3.280 1.00 1.33 C ATOM 875 CD2 LEU A 52 3.329 -1.967 1.757 1.00 73.12 C ATOM 0 H LEU A 52 1.840 1.210 4.199 1.00 52.54 H new ATOM 0 HA LEU A 52 0.943 -1.376 3.040 1.00 12.54 H new ATOM 0 HB2 LEU A 52 3.163 -0.567 4.963 1.00 0.03 H new ATOM 0 HB3 LEU A 52 2.814 -2.216 4.482 1.00 0.03 H new ATOM 0 HG LEU A 52 3.620 0.009 2.557 1.00 54.31 H new ATOM 0 HD11 LEU A 52 5.828 -1.107 2.393 1.00 1.33 H new ATOM 0 HD12 LEU A 52 5.498 -0.492 4.030 1.00 1.33 H new ATOM 0 HD13 LEU A 52 5.340 -2.231 3.683 1.00 1.33 H new ATOM 0 HD21 LEU A 52 4.008 -1.829 0.916 1.00 73.12 H new ATOM 0 HD22 LEU A 52 3.384 -2.999 2.102 1.00 73.12 H new ATOM 0 HD23 LEU A 52 2.310 -1.744 1.441 1.00 73.12 H new ATOM 887 N VAL A 53 -0.832 -1.647 4.745 1.00 53.03 N ATOM 888 CA VAL A 53 -1.902 -1.991 5.706 1.00 40.12 C ATOM 889 C VAL A 53 -1.963 -3.522 5.915 1.00 12.02 C ATOM 890 O VAL A 53 -2.161 -4.279 4.952 1.00 35.41 O ATOM 891 CB VAL A 53 -3.321 -1.502 5.205 1.00 75.23 C ATOM 892 CG1 VAL A 53 -4.411 -1.707 6.293 1.00 20.04 C ATOM 893 CG2 VAL A 53 -3.288 -0.031 4.729 1.00 35.11 C ATOM 0 H VAL A 53 -1.090 -1.842 3.778 1.00 53.03 H new ATOM 0 HA VAL A 53 -1.663 -1.486 6.642 1.00 40.12 H new ATOM 0 HB VAL A 53 -3.583 -2.120 4.346 1.00 75.23 H new ATOM 0 HG11 VAL A 53 -5.373 -1.360 5.915 1.00 20.04 H new ATOM 0 HG12 VAL A 53 -4.480 -2.765 6.544 1.00 20.04 H new ATOM 0 HG13 VAL A 53 -4.146 -1.139 7.185 1.00 20.04 H new ATOM 0 HG21 VAL A 53 -4.282 0.265 4.393 1.00 35.11 H new ATOM 0 HG22 VAL A 53 -2.977 0.611 5.553 1.00 35.11 H new ATOM 0 HG23 VAL A 53 -2.582 0.069 3.905 1.00 35.11 H new ATOM 903 N GLY A 54 -1.798 -3.946 7.181 1.00 75.24 N ATOM 904 CA GLY A 54 -1.961 -5.347 7.595 1.00 32.12 C ATOM 905 C GLY A 54 -0.933 -6.311 7.005 1.00 61.41 C ATOM 906 O GLY A 54 -1.153 -7.530 7.004 1.00 70.11 O ATOM 0 H GLY A 54 -1.547 -3.322 7.947 1.00 75.24 H new ATOM 0 HA2 GLY A 54 -1.906 -5.399 8.682 1.00 32.12 H new ATOM 0 HA3 GLY A 54 -2.958 -5.682 7.310 1.00 32.12 H new ATOM 910 N VAL A 55 0.206 -5.775 6.530 1.00 35.32 N ATOM 911 CA VAL A 55 1.235 -6.573 5.840 1.00 74.11 C ATOM 912 C VAL A 55 2.231 -7.169 6.851 1.00 64.12 C ATOM 913 O VAL A 55 2.337 -6.703 7.997 1.00 54.45 O ATOM 914 CB VAL A 55 2.023 -5.713 4.763 1.00 34.23 C ATOM 915 CG1 VAL A 55 1.056 -5.087 3.725 1.00 20.51 C ATOM 916 CG2 VAL A 55 2.900 -4.625 5.435 1.00 62.40 C ATOM 0 H VAL A 55 0.438 -4.785 6.613 1.00 35.32 H new ATOM 0 HA VAL A 55 0.718 -7.381 5.322 1.00 74.11 H new ATOM 0 HB VAL A 55 2.690 -6.391 4.231 1.00 34.23 H new ATOM 0 HG11 VAL A 55 1.626 -4.504 3.002 1.00 20.51 H new ATOM 0 HG12 VAL A 55 0.515 -5.879 3.207 1.00 20.51 H new ATOM 0 HG13 VAL A 55 0.346 -4.437 4.235 1.00 20.51 H new ATOM 0 HG21 VAL A 55 3.425 -4.056 4.668 1.00 62.40 H new ATOM 0 HG22 VAL A 55 2.266 -3.954 6.015 1.00 62.40 H new ATOM 0 HG23 VAL A 55 3.626 -5.099 6.095 1.00 62.40 H new ATOM 926 N SER A 56 2.934 -8.218 6.403 1.00 2.55 N ATOM 927 CA SER A 56 4.122 -8.752 7.081 1.00 12.22 C ATOM 928 C SER A 56 5.195 -7.652 7.148 1.00 40.15 C ATOM 929 O SER A 56 5.476 -7.011 6.131 1.00 32.34 O ATOM 930 CB SER A 56 4.652 -9.983 6.291 1.00 35.21 C ATOM 931 OG SER A 56 5.946 -10.382 6.718 1.00 40.22 O ATOM 0 H SER A 56 2.691 -8.724 5.551 1.00 2.55 H new ATOM 0 HA SER A 56 3.871 -9.067 8.094 1.00 12.22 H new ATOM 0 HB2 SER A 56 3.959 -10.816 6.413 1.00 35.21 H new ATOM 0 HB3 SER A 56 4.680 -9.745 5.228 1.00 35.21 H new ATOM 0 HG SER A 56 6.238 -11.159 6.196 1.00 40.22 H new ATOM 937 N GLU A 57 5.774 -7.428 8.340 1.00 63.21 N ATOM 938 CA GLU A 57 6.812 -6.399 8.549 1.00 72.31 C ATOM 939 C GLU A 57 8.131 -6.785 7.844 1.00 42.12 C ATOM 940 O GLU A 57 8.948 -5.916 7.524 1.00 24.34 O ATOM 941 CB GLU A 57 7.031 -6.129 10.062 1.00 60.35 C ATOM 942 CG GLU A 57 7.466 -7.351 10.891 1.00 43.54 C ATOM 943 CD GLU A 57 7.533 -7.056 12.401 1.00 75.14 C ATOM 944 OE1 GLU A 57 6.463 -6.978 13.043 1.00 11.13 O ATOM 945 OE2 GLU A 57 8.642 -6.883 12.947 1.00 2.23 O ATOM 0 H GLU A 57 5.538 -7.951 9.183 1.00 63.21 H new ATOM 0 HA GLU A 57 6.461 -5.471 8.097 1.00 72.31 H new ATOM 0 HB2 GLU A 57 7.786 -5.350 10.170 1.00 60.35 H new ATOM 0 HB3 GLU A 57 6.105 -5.736 10.482 1.00 60.35 H new ATOM 0 HG2 GLU A 57 6.768 -8.170 10.716 1.00 43.54 H new ATOM 0 HG3 GLU A 57 8.444 -7.687 10.548 1.00 43.54 H new ATOM 952 N LYS A 58 8.307 -8.100 7.586 1.00 12.25 N ATOM 953 CA LYS A 58 9.419 -8.631 6.770 1.00 12.01 C ATOM 954 C LYS A 58 9.293 -8.121 5.318 1.00 3.01 C ATOM 955 O LYS A 58 10.285 -7.698 4.709 1.00 23.11 O ATOM 956 CB LYS A 58 9.421 -10.188 6.821 1.00 51.35 C ATOM 957 CG LYS A 58 10.515 -10.874 5.961 1.00 52.44 C ATOM 958 CD LYS A 58 10.578 -12.407 6.171 1.00 73.12 C ATOM 959 CE LYS A 58 9.270 -13.134 5.801 1.00 4.41 C ATOM 960 NZ LYS A 58 8.944 -13.008 4.365 1.00 72.14 N ATOM 0 H LYS A 58 7.680 -8.823 7.939 1.00 12.25 H new ATOM 0 HA LYS A 58 10.367 -8.278 7.175 1.00 12.01 H new ATOM 0 HB2 LYS A 58 9.546 -10.502 7.857 1.00 51.35 H new ATOM 0 HB3 LYS A 58 8.445 -10.548 6.494 1.00 51.35 H new ATOM 0 HG2 LYS A 58 10.326 -10.665 4.908 1.00 52.44 H new ATOM 0 HG3 LYS A 58 11.485 -10.440 6.203 1.00 52.44 H new ATOM 0 HD2 LYS A 58 11.392 -12.814 5.572 1.00 73.12 H new ATOM 0 HD3 LYS A 58 10.816 -12.613 7.215 1.00 73.12 H new ATOM 0 HE2 LYS A 58 9.358 -14.189 6.060 1.00 4.41 H new ATOM 0 HE3 LYS A 58 8.451 -12.727 6.394 1.00 4.41 H new ATOM 0 HZ1 LYS A 58 8.066 -13.527 4.162 1.00 72.14 H new ATOM 0 HZ2 LYS A 58 8.817 -12.004 4.125 1.00 72.14 H new ATOM 0 HZ3 LYS A 58 9.720 -13.404 3.797 1.00 72.14 H new ATOM 974 N LEU A 59 8.044 -8.140 4.795 1.00 21.23 N ATOM 975 CA LEU A 59 7.720 -7.622 3.449 1.00 4.25 C ATOM 976 C LEU A 59 7.798 -6.089 3.430 1.00 30.14 C ATOM 977 O LEU A 59 8.267 -5.514 2.469 1.00 75.44 O ATOM 978 CB LEU A 59 6.306 -8.082 2.991 1.00 42.43 C ATOM 979 CG LEU A 59 6.124 -9.615 2.768 1.00 64.42 C ATOM 980 CD1 LEU A 59 4.686 -9.945 2.322 1.00 14.35 C ATOM 981 CD2 LEU A 59 7.165 -10.160 1.761 1.00 2.54 C ATOM 0 H LEU A 59 7.237 -8.514 5.294 1.00 21.23 H new ATOM 0 HA LEU A 59 8.455 -8.028 2.754 1.00 4.25 H new ATOM 0 HB2 LEU A 59 5.580 -7.755 3.736 1.00 42.43 H new ATOM 0 HB3 LEU A 59 6.062 -7.568 2.061 1.00 42.43 H new ATOM 0 HG LEU A 59 6.296 -10.114 3.722 1.00 64.42 H new ATOM 0 HD11 LEU A 59 4.589 -11.021 2.174 1.00 14.35 H new ATOM 0 HD12 LEU A 59 3.983 -9.619 3.089 1.00 14.35 H new ATOM 0 HD13 LEU A 59 4.468 -9.429 1.387 1.00 14.35 H new ATOM 0 HD21 LEU A 59 7.014 -11.231 1.625 1.00 2.54 H new ATOM 0 HD22 LEU A 59 7.046 -9.653 0.804 1.00 2.54 H new ATOM 0 HD23 LEU A 59 8.170 -9.981 2.144 1.00 2.54 H new ATOM 993 N LEU A 60 7.350 -5.455 4.517 1.00 24.01 N ATOM 994 CA LEU A 60 7.330 -3.984 4.683 1.00 4.15 C ATOM 995 C LEU A 60 8.731 -3.370 4.452 1.00 60.32 C ATOM 996 O LEU A 60 8.884 -2.367 3.737 1.00 52.12 O ATOM 997 CB LEU A 60 6.764 -3.680 6.102 1.00 54.42 C ATOM 998 CG LEU A 60 6.736 -2.194 6.613 1.00 2.34 C ATOM 999 CD1 LEU A 60 5.538 -1.949 7.551 1.00 64.31 C ATOM 1000 CD2 LEU A 60 8.053 -1.798 7.336 1.00 61.42 C ATOM 0 H LEU A 60 6.982 -5.953 5.328 1.00 24.01 H new ATOM 0 HA LEU A 60 6.689 -3.521 3.933 1.00 4.15 H new ATOM 0 HB2 LEU A 60 5.742 -4.058 6.136 1.00 54.42 H new ATOM 0 HB3 LEU A 60 7.343 -4.263 6.818 1.00 54.42 H new ATOM 0 HG LEU A 60 6.632 -1.566 5.728 1.00 2.34 H new ATOM 0 HD11 LEU A 60 5.546 -0.912 7.888 1.00 64.31 H new ATOM 0 HD12 LEU A 60 4.610 -2.150 7.016 1.00 64.31 H new ATOM 0 HD13 LEU A 60 5.610 -2.611 8.414 1.00 64.31 H new ATOM 0 HD21 LEU A 60 7.987 -0.763 7.671 1.00 61.42 H new ATOM 0 HD22 LEU A 60 8.206 -2.449 8.197 1.00 61.42 H new ATOM 0 HD23 LEU A 60 8.892 -1.904 6.648 1.00 61.42 H new ATOM 1012 N GLN A 61 9.740 -4.000 5.069 1.00 21.14 N ATOM 1013 CA GLN A 61 11.156 -3.625 4.919 1.00 10.43 C ATOM 1014 C GLN A 61 11.677 -3.954 3.495 1.00 62.52 C ATOM 1015 O GLN A 61 12.413 -3.164 2.891 1.00 35.10 O ATOM 1016 CB GLN A 61 11.990 -4.352 6.006 1.00 2.11 C ATOM 1017 CG GLN A 61 11.567 -4.014 7.452 1.00 43.43 C ATOM 1018 CD GLN A 61 12.241 -4.899 8.503 1.00 64.04 C ATOM 1019 OE1 GLN A 61 13.309 -4.570 9.016 1.00 72.51 O ATOM 1020 NE2 GLN A 61 11.620 -6.026 8.827 1.00 54.32 N ATOM 0 H GLN A 61 9.596 -4.793 5.694 1.00 21.14 H new ATOM 0 HA GLN A 61 11.258 -2.548 5.051 1.00 10.43 H new ATOM 0 HB2 GLN A 61 11.905 -5.428 5.856 1.00 2.11 H new ATOM 0 HB3 GLN A 61 13.041 -4.094 5.876 1.00 2.11 H new ATOM 0 HG2 GLN A 61 11.806 -2.971 7.658 1.00 43.43 H new ATOM 0 HG3 GLN A 61 10.485 -4.117 7.540 1.00 43.43 H new ATOM 0 HE21 GLN A 61 10.735 -6.267 8.381 1.00 54.32 H new ATOM 0 HE22 GLN A 61 12.028 -6.651 9.522 1.00 54.32 H new ATOM 1029 N LYS A 62 11.253 -5.113 2.966 1.00 4.11 N ATOM 1030 CA LYS A 62 11.650 -5.599 1.628 1.00 62.31 C ATOM 1031 C LYS A 62 11.183 -4.629 0.508 1.00 22.14 C ATOM 1032 O LYS A 62 11.926 -4.360 -0.443 1.00 61.23 O ATOM 1033 CB LYS A 62 11.069 -7.019 1.415 1.00 33.23 C ATOM 1034 CG LYS A 62 11.408 -7.669 0.059 1.00 34.14 C ATOM 1035 CD LYS A 62 10.902 -9.125 -0.039 1.00 51.41 C ATOM 1036 CE LYS A 62 11.211 -9.773 -1.399 1.00 44.53 C ATOM 1037 NZ LYS A 62 12.659 -9.714 -1.740 1.00 14.02 N ATOM 0 H LYS A 62 10.621 -5.746 3.456 1.00 4.11 H new ATOM 0 HA LYS A 62 12.738 -5.641 1.574 1.00 62.31 H new ATOM 0 HB2 LYS A 62 11.434 -7.667 2.212 1.00 33.23 H new ATOM 0 HB3 LYS A 62 9.985 -6.970 1.515 1.00 33.23 H new ATOM 0 HG2 LYS A 62 10.966 -7.079 -0.744 1.00 34.14 H new ATOM 0 HG3 LYS A 62 12.488 -7.652 -0.089 1.00 34.14 H new ATOM 0 HD2 LYS A 62 11.359 -9.718 0.753 1.00 51.41 H new ATOM 0 HD3 LYS A 62 9.825 -9.143 0.131 1.00 51.41 H new ATOM 0 HE2 LYS A 62 10.886 -10.813 -1.385 1.00 44.53 H new ATOM 0 HE3 LYS A 62 10.637 -9.270 -2.177 1.00 44.53 H new ATOM 0 HZ1 LYS A 62 12.980 -10.652 -2.056 1.00 14.02 H new ATOM 0 HZ2 LYS A 62 12.808 -9.022 -2.502 1.00 14.02 H new ATOM 0 HZ3 LYS A 62 13.202 -9.427 -0.901 1.00 14.02 H new ATOM 1051 N ILE A 63 9.964 -4.079 0.668 1.00 23.50 N ATOM 1052 CA ILE A 63 9.353 -3.131 -0.281 1.00 64.32 C ATOM 1053 C ILE A 63 10.123 -1.789 -0.262 1.00 21.41 C ATOM 1054 O ILE A 63 10.467 -1.262 -1.321 1.00 24.21 O ATOM 1055 CB ILE A 63 7.785 -2.939 0.007 1.00 22.23 C ATOM 1056 CG1 ILE A 63 6.908 -4.027 -0.729 1.00 21.14 C ATOM 1057 CG2 ILE A 63 7.269 -1.524 -0.370 1.00 24.11 C ATOM 1058 CD1 ILE A 63 7.192 -5.474 -0.376 1.00 72.33 C ATOM 0 H ILE A 63 9.369 -4.284 1.471 1.00 23.50 H new ATOM 0 HA ILE A 63 9.430 -3.545 -1.286 1.00 64.32 H new ATOM 0 HB ILE A 63 7.677 -3.064 1.084 1.00 22.23 H new ATOM 0 HG12 ILE A 63 5.859 -3.823 -0.514 1.00 21.14 H new ATOM 0 HG13 ILE A 63 7.043 -3.905 -1.804 1.00 21.14 H new ATOM 0 HG21 ILE A 63 6.203 -1.456 -0.153 1.00 24.11 H new ATOM 0 HG22 ILE A 63 7.807 -0.774 0.210 1.00 24.11 H new ATOM 0 HG23 ILE A 63 7.435 -1.348 -1.433 1.00 24.11 H new ATOM 0 HD11 ILE A 63 6.527 -6.124 -0.945 1.00 72.33 H new ATOM 0 HD12 ILE A 63 8.228 -5.711 -0.619 1.00 72.33 H new ATOM 0 HD13 ILE A 63 7.025 -5.628 0.690 1.00 72.33 H new ATOM 1070 N LYS A 64 10.444 -1.257 0.943 1.00 74.14 N ATOM 1071 CA LYS A 64 11.133 0.052 1.053 1.00 41.25 C ATOM 1072 C LYS A 64 12.595 -0.034 0.556 1.00 23.54 C ATOM 1073 O LYS A 64 13.195 0.995 0.240 1.00 11.31 O ATOM 1074 CB LYS A 64 11.044 0.645 2.503 1.00 3.13 C ATOM 1075 CG LYS A 64 11.817 -0.099 3.638 1.00 41.33 C ATOM 1076 CD LYS A 64 13.334 0.252 3.708 1.00 72.41 C ATOM 1077 CE LYS A 64 14.119 -0.557 4.754 1.00 3.34 C ATOM 1078 NZ LYS A 64 13.765 -0.190 6.143 1.00 22.32 N ATOM 0 H LYS A 64 10.241 -1.705 1.837 1.00 74.14 H new ATOM 0 HA LYS A 64 10.607 0.746 0.398 1.00 41.25 H new ATOM 0 HB2 LYS A 64 11.406 1.673 2.468 1.00 3.13 H new ATOM 0 HB3 LYS A 64 9.992 0.687 2.785 1.00 3.13 H new ATOM 0 HG2 LYS A 64 11.355 0.141 4.596 1.00 41.33 H new ATOM 0 HG3 LYS A 64 11.710 -1.174 3.492 1.00 41.33 H new ATOM 0 HD2 LYS A 64 13.780 0.086 2.727 1.00 72.41 H new ATOM 0 HD3 LYS A 64 13.440 1.314 3.931 1.00 72.41 H new ATOM 0 HE2 LYS A 64 13.928 -1.620 4.603 1.00 3.34 H new ATOM 0 HE3 LYS A 64 15.187 -0.400 4.602 1.00 3.34 H new ATOM 0 HZ1 LYS A 64 14.323 -0.765 6.807 1.00 22.32 H new ATOM 0 HZ2 LYS A 64 13.971 0.817 6.299 1.00 22.32 H new ATOM 0 HZ3 LYS A 64 12.752 -0.364 6.301 1.00 22.32 H new ATOM 1092 N GLN A 65 13.177 -1.256 0.553 1.00 41.44 N ATOM 1093 CA GLN A 65 14.528 -1.487 0.003 1.00 41.24 C ATOM 1094 C GLN A 65 14.504 -1.527 -1.539 1.00 12.31 C ATOM 1095 O GLN A 65 15.118 -0.678 -2.200 1.00 44.45 O ATOM 1096 CB GLN A 65 15.134 -2.801 0.568 1.00 3.13 C ATOM 1097 CG GLN A 65 15.445 -2.740 2.070 1.00 62.22 C ATOM 1098 CD GLN A 65 16.089 -4.019 2.598 1.00 0.14 C ATOM 1099 OE1 GLN A 65 17.308 -4.147 2.617 1.00 54.22 O ATOM 1100 NE2 GLN A 65 15.279 -4.969 3.031 1.00 5.31 N ATOM 0 H GLN A 65 12.731 -2.094 0.925 1.00 41.44 H new ATOM 0 HA GLN A 65 15.158 -0.652 0.310 1.00 41.24 H new ATOM 0 HB2 GLN A 65 14.439 -3.620 0.383 1.00 3.13 H new ATOM 0 HB3 GLN A 65 16.051 -3.031 0.025 1.00 3.13 H new ATOM 0 HG2 GLN A 65 16.110 -1.898 2.264 1.00 62.22 H new ATOM 0 HG3 GLN A 65 14.523 -2.551 2.619 1.00 62.22 H new ATOM 0 HE21 GLN A 65 14.269 -4.831 3.001 1.00 5.31 H new ATOM 0 HE22 GLN A 65 15.664 -5.841 3.395 1.00 5.31 H new ATOM 1109 N GLU A 66 13.738 -2.480 -2.097 1.00 22.11 N ATOM 1110 CA GLU A 66 13.798 -2.832 -3.534 1.00 35.15 C ATOM 1111 C GLU A 66 12.973 -1.858 -4.398 1.00 10.30 C ATOM 1112 O GLU A 66 13.442 -1.412 -5.452 1.00 1.32 O ATOM 1113 CB GLU A 66 13.341 -4.303 -3.731 1.00 2.15 C ATOM 1114 CG GLU A 66 14.149 -5.307 -2.875 1.00 52.33 C ATOM 1115 CD GLU A 66 13.762 -6.781 -3.081 1.00 13.15 C ATOM 1116 OE1 GLU A 66 12.559 -7.085 -3.154 1.00 32.24 O ATOM 1117 OE2 GLU A 66 14.661 -7.655 -3.125 1.00 33.34 O ATOM 0 H GLU A 66 13.060 -3.029 -1.569 1.00 22.11 H new ATOM 0 HA GLU A 66 14.831 -2.740 -3.870 1.00 35.15 H new ATOM 0 HB2 GLU A 66 12.284 -4.386 -3.478 1.00 2.15 H new ATOM 0 HB3 GLU A 66 13.439 -4.570 -4.783 1.00 2.15 H new ATOM 0 HG2 GLU A 66 15.208 -5.188 -3.102 1.00 52.33 H new ATOM 0 HG3 GLU A 66 14.019 -5.054 -1.823 1.00 52.33 H new ATOM 1124 N ALA A 67 11.753 -1.519 -3.928 1.00 50.20 N ATOM 1125 CA ALA A 67 10.886 -0.525 -4.597 1.00 61.10 C ATOM 1126 C ALA A 67 11.312 0.911 -4.231 1.00 3.23 C ATOM 1127 O ALA A 67 11.056 1.847 -5.002 1.00 40.31 O ATOM 1128 CB ALA A 67 9.407 -0.767 -4.240 1.00 61.50 C ATOM 0 H ALA A 67 11.345 -1.921 -3.084 1.00 50.20 H new ATOM 0 HA ALA A 67 11.000 -0.644 -5.674 1.00 61.10 H new ATOM 0 HB1 ALA A 67 8.786 -0.025 -4.742 1.00 61.50 H new ATOM 0 HB2 ALA A 67 9.113 -1.766 -4.564 1.00 61.50 H new ATOM 0 HB3 ALA A 67 9.274 -0.681 -3.161 1.00 61.50 H new ATOM 1134 N ASN A 68 11.943 1.054 -3.036 1.00 32.25 N ATOM 1135 CA ASN A 68 12.557 2.314 -2.556 1.00 24.23 C ATOM 1136 C ASN A 68 11.506 3.440 -2.418 1.00 33.34 C ATOM 1137 O ASN A 68 11.475 4.395 -3.201 1.00 31.14 O ATOM 1138 CB ASN A 68 13.780 2.725 -3.434 1.00 21.21 C ATOM 1139 CG ASN A 68 14.572 3.927 -2.888 1.00 52.40 C ATOM 1140 OD1 ASN A 68 14.598 4.188 -1.685 1.00 4.20 O ATOM 1141 ND2 ASN A 68 15.226 4.659 -3.775 1.00 12.42 N ATOM 0 H ASN A 68 12.039 0.285 -2.372 1.00 32.25 H new ATOM 0 HA ASN A 68 12.947 2.137 -1.554 1.00 24.23 H new ATOM 0 HB2 ASN A 68 14.452 1.872 -3.524 1.00 21.21 H new ATOM 0 HB3 ASN A 68 13.429 2.961 -4.439 1.00 21.21 H new ATOM 0 HD21 ASN A 68 15.771 5.465 -3.469 1.00 12.42 H new ATOM 0 HD22 ASN A 68 15.185 4.417 -4.765 1.00 12.42 H new ATOM 1148 N VAL A 69 10.595 3.258 -1.440 1.00 62.24 N ATOM 1149 CA VAL A 69 9.443 4.164 -1.205 1.00 64.05 C ATOM 1150 C VAL A 69 9.324 4.589 0.266 1.00 41.13 C ATOM 1151 O VAL A 69 9.952 4.003 1.162 1.00 0.04 O ATOM 1152 CB VAL A 69 8.085 3.481 -1.636 1.00 75.15 C ATOM 1153 CG1 VAL A 69 8.031 3.283 -3.158 1.00 34.15 C ATOM 1154 CG2 VAL A 69 7.868 2.136 -0.885 1.00 3.31 C ATOM 0 H VAL A 69 10.635 2.476 -0.786 1.00 62.24 H new ATOM 0 HA VAL A 69 9.629 5.049 -1.814 1.00 64.05 H new ATOM 0 HB VAL A 69 7.270 4.149 -1.356 1.00 75.15 H new ATOM 0 HG11 VAL A 69 7.087 2.811 -3.430 1.00 34.15 H new ATOM 0 HG12 VAL A 69 8.109 4.251 -3.654 1.00 34.15 H new ATOM 0 HG13 VAL A 69 8.858 2.646 -3.472 1.00 34.15 H new ATOM 0 HG21 VAL A 69 6.926 1.690 -1.203 1.00 3.31 H new ATOM 0 HG22 VAL A 69 8.687 1.455 -1.114 1.00 3.31 H new ATOM 0 HG23 VAL A 69 7.839 2.320 0.189 1.00 3.31 H new ATOM 1164 N GLN A 70 8.486 5.617 0.482 1.00 10.13 N ATOM 1165 CA GLN A 70 8.048 6.050 1.808 1.00 52.00 C ATOM 1166 C GLN A 70 6.973 5.069 2.302 1.00 42.34 C ATOM 1167 O GLN A 70 5.980 4.835 1.602 1.00 72.23 O ATOM 1168 CB GLN A 70 7.465 7.493 1.742 1.00 0.43 C ATOM 1169 CG GLN A 70 8.355 8.525 1.014 1.00 71.03 C ATOM 1170 CD GLN A 70 9.727 8.722 1.659 1.00 21.04 C ATOM 1171 OE1 GLN A 70 10.691 8.034 1.331 1.00 61.14 O ATOM 1172 NE2 GLN A 70 9.831 9.675 2.564 1.00 53.22 N ATOM 0 H GLN A 70 8.091 6.175 -0.275 1.00 10.13 H new ATOM 0 HA GLN A 70 8.895 6.059 2.495 1.00 52.00 H new ATOM 0 HB2 GLN A 70 6.497 7.455 1.243 1.00 0.43 H new ATOM 0 HB3 GLN A 70 7.286 7.843 2.759 1.00 0.43 H new ATOM 0 HG2 GLN A 70 8.492 8.207 -0.020 1.00 71.03 H new ATOM 0 HG3 GLN A 70 7.836 9.483 0.987 1.00 71.03 H new ATOM 0 HE21 GLN A 70 9.013 10.230 2.816 1.00 53.22 H new ATOM 0 HE22 GLN A 70 10.729 9.857 3.012 1.00 53.22 H new ATOM 1181 N VAL A 71 7.181 4.507 3.498 1.00 74.13 N ATOM 1182 CA VAL A 71 6.271 3.518 4.109 1.00 70.22 C ATOM 1183 C VAL A 71 5.291 4.223 5.051 1.00 0.21 C ATOM 1184 O VAL A 71 5.688 5.111 5.814 1.00 63.23 O ATOM 1185 CB VAL A 71 7.081 2.434 4.919 1.00 45.52 C ATOM 1186 CG1 VAL A 71 6.145 1.484 5.728 1.00 24.40 C ATOM 1187 CG2 VAL A 71 7.995 1.628 3.973 1.00 33.43 C ATOM 0 H VAL A 71 7.991 4.724 4.078 1.00 74.13 H new ATOM 0 HA VAL A 71 5.722 3.022 3.308 1.00 70.22 H new ATOM 0 HB VAL A 71 7.701 2.963 5.643 1.00 45.52 H new ATOM 0 HG11 VAL A 71 6.747 0.755 6.270 1.00 24.40 H new ATOM 0 HG12 VAL A 71 5.558 2.068 6.437 1.00 24.40 H new ATOM 0 HG13 VAL A 71 5.474 0.964 5.044 1.00 24.40 H new ATOM 0 HG21 VAL A 71 8.547 0.884 4.547 1.00 33.43 H new ATOM 0 HG22 VAL A 71 7.387 1.127 3.219 1.00 33.43 H new ATOM 0 HG23 VAL A 71 8.697 2.303 3.483 1.00 33.43 H new ATOM 1197 N TYR A 72 4.008 3.836 4.973 1.00 73.11 N ATOM 1198 CA TYR A 72 2.958 4.317 5.885 1.00 24.30 C ATOM 1199 C TYR A 72 2.178 3.113 6.430 1.00 51.13 C ATOM 1200 O TYR A 72 1.360 2.523 5.723 1.00 10.04 O ATOM 1201 CB TYR A 72 2.028 5.328 5.154 1.00 2.50 C ATOM 1202 CG TYR A 72 2.775 6.595 4.720 1.00 30.20 C ATOM 1203 CD1 TYR A 72 3.004 7.637 5.623 1.00 52.23 C ATOM 1204 CD2 TYR A 72 3.291 6.727 3.428 1.00 45.04 C ATOM 1205 CE1 TYR A 72 3.719 8.760 5.254 1.00 32.43 C ATOM 1206 CE2 TYR A 72 4.000 7.847 3.060 1.00 20.15 C ATOM 1207 CZ TYR A 72 4.212 8.862 3.971 1.00 33.53 C ATOM 1208 OH TYR A 72 4.938 9.972 3.602 1.00 43.32 O ATOM 0 H TYR A 72 3.668 3.177 4.272 1.00 73.11 H new ATOM 0 HA TYR A 72 3.407 4.846 6.726 1.00 24.30 H new ATOM 0 HB2 TYR A 72 1.591 4.849 4.278 1.00 2.50 H new ATOM 0 HB3 TYR A 72 1.204 5.602 5.812 1.00 2.50 H new ATOM 0 HD1 TYR A 72 2.615 7.563 6.628 1.00 52.23 H new ATOM 0 HD2 TYR A 72 3.131 5.938 2.708 1.00 45.04 H new ATOM 0 HE1 TYR A 72 3.891 9.553 5.967 1.00 32.43 H new ATOM 0 HE2 TYR A 72 4.391 7.932 2.057 1.00 20.15 H new ATOM 0 HH TYR A 72 5.213 9.887 2.665 1.00 43.32 H new ATOM 1218 N ARG A 73 2.458 2.741 7.691 1.00 71.23 N ATOM 1219 CA ARG A 73 1.801 1.604 8.357 1.00 42.32 C ATOM 1220 C ARG A 73 0.461 2.078 8.933 1.00 72.10 C ATOM 1221 O ARG A 73 0.434 3.032 9.716 1.00 0.51 O ATOM 1222 CB ARG A 73 2.695 1.026 9.489 1.00 2.43 C ATOM 1223 CG ARG A 73 2.182 -0.321 10.071 1.00 61.22 C ATOM 1224 CD ARG A 73 2.310 -1.476 9.053 1.00 65.15 C ATOM 1225 NE ARG A 73 1.725 -2.748 9.517 1.00 43.24 N ATOM 1226 CZ ARG A 73 2.371 -3.726 10.178 1.00 25.23 C ATOM 1227 NH1 ARG A 73 3.660 -3.619 10.489 1.00 44.10 N ATOM 1228 NH2 ARG A 73 1.710 -4.821 10.518 1.00 64.24 N ATOM 0 H ARG A 73 3.144 3.219 8.275 1.00 71.23 H new ATOM 0 HA ARG A 73 1.636 0.811 7.628 1.00 42.32 H new ATOM 0 HB2 ARG A 73 3.705 0.883 9.104 1.00 2.43 H new ATOM 0 HB3 ARG A 73 2.762 1.757 10.295 1.00 2.43 H new ATOM 0 HG2 ARG A 73 2.747 -0.566 10.971 1.00 61.22 H new ATOM 0 HG3 ARG A 73 1.139 -0.214 10.369 1.00 61.22 H new ATOM 0 HD2 ARG A 73 1.825 -1.182 8.122 1.00 65.15 H new ATOM 0 HD3 ARG A 73 3.365 -1.633 8.827 1.00 65.15 H new ATOM 0 HE ARG A 73 0.736 -2.901 9.318 1.00 43.24 H new ATOM 0 HH11 ARG A 73 4.180 -2.782 10.226 1.00 44.10 H new ATOM 0 HH12 ARG A 73 4.128 -4.374 10.991 1.00 44.10 H new ATOM 0 HH21 ARG A 73 0.723 -4.916 10.279 1.00 64.24 H new ATOM 0 HH22 ARG A 73 2.188 -5.570 11.019 1.00 64.24 H new ATOM 1242 N VAL A 74 -0.642 1.436 8.534 1.00 22.24 N ATOM 1243 CA VAL A 74 -1.990 1.793 9.017 1.00 75.53 C ATOM 1244 C VAL A 74 -2.678 0.564 9.629 1.00 63.01 C ATOM 1245 O VAL A 74 -2.765 -0.485 8.988 1.00 20.42 O ATOM 1246 CB VAL A 74 -2.852 2.376 7.830 1.00 10.13 C ATOM 1247 CG1 VAL A 74 -4.352 2.485 8.195 1.00 70.45 C ATOM 1248 CG2 VAL A 74 -2.297 3.759 7.379 1.00 24.30 C ATOM 0 H VAL A 74 -0.632 0.660 7.873 1.00 22.24 H new ATOM 0 HA VAL A 74 -1.898 2.557 9.789 1.00 75.53 H new ATOM 0 HB VAL A 74 -2.773 1.675 6.999 1.00 10.13 H new ATOM 0 HG11 VAL A 74 -4.904 2.891 7.347 1.00 70.45 H new ATOM 0 HG12 VAL A 74 -4.740 1.496 8.440 1.00 70.45 H new ATOM 0 HG13 VAL A 74 -4.470 3.145 9.055 1.00 70.45 H new ATOM 0 HG21 VAL A 74 -2.904 4.145 6.560 1.00 24.30 H new ATOM 0 HG22 VAL A 74 -2.332 4.456 8.216 1.00 24.30 H new ATOM 0 HG23 VAL A 74 -1.266 3.646 7.044 1.00 24.30 H new ATOM 1258 N THR A 75 -3.190 0.724 10.861 1.00 23.32 N ATOM 1259 CA THR A 75 -3.976 -0.304 11.573 1.00 32.31 C ATOM 1260 C THR A 75 -5.439 0.160 11.762 1.00 31.33 C ATOM 1261 O THR A 75 -6.335 -0.664 11.965 1.00 60.23 O ATOM 1262 CB THR A 75 -3.332 -0.632 12.972 1.00 22.42 C ATOM 1263 OG1 THR A 75 -3.150 0.572 13.750 1.00 72.24 O ATOM 1264 CG2 THR A 75 -1.970 -1.343 12.833 1.00 73.45 C ATOM 0 H THR A 75 -3.069 1.582 11.400 1.00 23.32 H new ATOM 0 HA THR A 75 -3.970 -1.209 10.966 1.00 32.31 H new ATOM 0 HB THR A 75 -4.025 -1.303 13.480 1.00 22.42 H new ATOM 0 HG1 THR A 75 -3.399 1.351 13.210 1.00 72.24 H new ATOM 0 HG21 THR A 75 -1.564 -1.549 13.824 1.00 73.45 H new ATOM 0 HG22 THR A 75 -2.102 -2.281 12.293 1.00 73.45 H new ATOM 0 HG23 THR A 75 -1.280 -0.703 12.284 1.00 73.45 H new ATOM 1272 N SER A 76 -5.667 1.488 11.672 1.00 55.45 N ATOM 1273 CA SER A 76 -6.987 2.107 11.909 1.00 14.01 C ATOM 1274 C SER A 76 -7.326 3.084 10.768 1.00 73.41 C ATOM 1275 O SER A 76 -6.425 3.723 10.211 1.00 25.11 O ATOM 1276 CB SER A 76 -6.968 2.836 13.276 1.00 13.23 C ATOM 1277 OG SER A 76 -8.243 3.360 13.599 1.00 13.05 O ATOM 0 H SER A 76 -4.939 2.161 11.433 1.00 55.45 H new ATOM 0 HA SER A 76 -7.758 1.336 11.930 1.00 14.01 H new ATOM 0 HB2 SER A 76 -6.649 2.143 14.055 1.00 13.23 H new ATOM 0 HB3 SER A 76 -6.237 3.644 13.249 1.00 13.23 H new ATOM 0 HG SER A 76 -8.286 4.302 13.333 1.00 13.05 H new ATOM 1283 N ASN A 77 -8.640 3.212 10.450 1.00 25.02 N ATOM 1284 CA ASN A 77 -9.147 4.074 9.341 1.00 14.32 C ATOM 1285 C ASN A 77 -8.765 5.548 9.558 1.00 22.43 C ATOM 1286 O ASN A 77 -8.699 6.320 8.600 1.00 25.11 O ATOM 1287 CB ASN A 77 -10.689 3.972 9.195 1.00 61.23 C ATOM 1288 CG ASN A 77 -11.163 2.548 8.927 1.00 30.31 C ATOM 1289 OD1 ASN A 77 -11.222 2.104 7.779 1.00 75.42 O ATOM 1290 ND2 ASN A 77 -11.509 1.817 9.983 1.00 34.00 N ATOM 0 H ASN A 77 -9.380 2.722 10.953 1.00 25.02 H new ATOM 0 HA ASN A 77 -8.678 3.709 8.427 1.00 14.32 H new ATOM 0 HB2 ASN A 77 -11.161 4.342 10.105 1.00 61.23 H new ATOM 0 HB3 ASN A 77 -11.016 4.618 8.381 1.00 61.23 H new ATOM 0 HD21 ASN A 77 -11.835 0.859 9.855 1.00 34.00 H new ATOM 0 HD22 ASN A 77 -11.449 2.215 10.920 1.00 34.00 H new ATOM 1297 N ASP A 78 -8.548 5.904 10.841 1.00 34.11 N ATOM 1298 CA ASP A 78 -8.048 7.220 11.279 1.00 32.11 C ATOM 1299 C ASP A 78 -6.781 7.589 10.494 1.00 41.51 C ATOM 1300 O ASP A 78 -6.738 8.599 9.786 1.00 72.30 O ATOM 1301 CB ASP A 78 -7.695 7.177 12.803 1.00 55.34 C ATOM 1302 CG ASP A 78 -8.873 6.853 13.737 1.00 42.53 C ATOM 1303 OD1 ASP A 78 -9.670 5.937 13.437 1.00 11.22 O ATOM 1304 OD2 ASP A 78 -8.995 7.496 14.805 1.00 42.41 O ATOM 0 H ASP A 78 -8.720 5.267 11.619 1.00 34.11 H new ATOM 0 HA ASP A 78 -8.825 7.962 11.098 1.00 32.11 H new ATOM 0 HB2 ASP A 78 -6.913 6.433 12.958 1.00 55.34 H new ATOM 0 HB3 ASP A 78 -7.278 8.142 13.091 1.00 55.34 H new ATOM 1309 N GLU A 79 -5.792 6.679 10.591 1.00 1.35 N ATOM 1310 CA GLU A 79 -4.438 6.850 10.044 1.00 34.34 C ATOM 1311 C GLU A 79 -4.462 6.823 8.512 1.00 44.13 C ATOM 1312 O GLU A 79 -3.742 7.589 7.868 1.00 74.44 O ATOM 1313 CB GLU A 79 -3.521 5.725 10.590 1.00 3.24 C ATOM 1314 CG GLU A 79 -3.526 5.612 12.128 1.00 63.40 C ATOM 1315 CD GLU A 79 -2.779 4.372 12.628 1.00 62.52 C ATOM 1316 OE1 GLU A 79 -3.329 3.252 12.503 1.00 11.44 O ATOM 1317 OE2 GLU A 79 -1.636 4.503 13.120 1.00 1.21 O ATOM 0 H GLU A 79 -5.919 5.784 11.064 1.00 1.35 H new ATOM 0 HA GLU A 79 -4.049 7.819 10.355 1.00 34.34 H new ATOM 0 HB2 GLU A 79 -3.836 4.773 10.164 1.00 3.24 H new ATOM 0 HB3 GLU A 79 -2.501 5.904 10.251 1.00 3.24 H new ATOM 0 HG2 GLU A 79 -3.069 6.504 12.556 1.00 63.40 H new ATOM 0 HG3 GLU A 79 -4.556 5.579 12.483 1.00 63.40 H new ATOM 1324 N LEU A 80 -5.323 5.938 7.958 1.00 72.10 N ATOM 1325 CA LEU A 80 -5.514 5.779 6.504 1.00 73.10 C ATOM 1326 C LEU A 80 -5.921 7.124 5.900 1.00 65.23 C ATOM 1327 O LEU A 80 -5.291 7.609 4.956 1.00 53.13 O ATOM 1328 CB LEU A 80 -6.590 4.666 6.226 1.00 42.41 C ATOM 1329 CG LEU A 80 -6.835 4.202 4.734 1.00 35.32 C ATOM 1330 CD1 LEU A 80 -7.799 5.125 3.965 1.00 50.20 C ATOM 1331 CD2 LEU A 80 -5.500 4.034 3.970 1.00 34.23 C ATOM 0 H LEU A 80 -5.906 5.312 8.514 1.00 72.10 H new ATOM 0 HA LEU A 80 -4.583 5.462 6.034 1.00 73.10 H new ATOM 0 HB2 LEU A 80 -6.311 3.785 6.804 1.00 42.41 H new ATOM 0 HB3 LEU A 80 -7.542 5.020 6.623 1.00 42.41 H new ATOM 0 HG LEU A 80 -7.322 3.229 4.796 1.00 35.32 H new ATOM 0 HD11 LEU A 80 -7.926 4.753 2.948 1.00 50.20 H new ATOM 0 HD12 LEU A 80 -8.766 5.142 4.468 1.00 50.20 H new ATOM 0 HD13 LEU A 80 -7.389 6.134 3.933 1.00 50.20 H new ATOM 0 HD21 LEU A 80 -5.703 3.714 2.948 1.00 34.23 H new ATOM 0 HD22 LEU A 80 -4.968 4.985 3.954 1.00 34.23 H new ATOM 0 HD23 LEU A 80 -4.887 3.284 4.469 1.00 34.23 H new ATOM 1343 N GLU A 81 -6.962 7.727 6.498 1.00 41.20 N ATOM 1344 CA GLU A 81 -7.513 9.002 6.046 1.00 12.35 C ATOM 1345 C GLU A 81 -6.473 10.124 6.164 1.00 3.33 C ATOM 1346 O GLU A 81 -6.374 10.941 5.266 1.00 55.40 O ATOM 1347 CB GLU A 81 -8.792 9.355 6.839 1.00 33.45 C ATOM 1348 CG GLU A 81 -9.974 8.402 6.568 1.00 42.21 C ATOM 1349 CD GLU A 81 -11.243 8.798 7.331 1.00 54.45 C ATOM 1350 OE1 GLU A 81 -11.720 9.930 7.123 1.00 75.50 O ATOM 1351 OE2 GLU A 81 -11.780 7.989 8.121 1.00 74.11 O ATOM 0 H GLU A 81 -7.442 7.338 7.310 1.00 41.20 H new ATOM 0 HA GLU A 81 -7.779 8.901 4.994 1.00 12.35 H new ATOM 0 HB2 GLU A 81 -8.563 9.341 7.905 1.00 33.45 H new ATOM 0 HB3 GLU A 81 -9.093 10.373 6.591 1.00 33.45 H new ATOM 0 HG2 GLU A 81 -10.187 8.390 5.499 1.00 42.21 H new ATOM 0 HG3 GLU A 81 -9.689 7.388 6.848 1.00 42.21 H new ATOM 1358 N GLN A 82 -5.674 10.137 7.255 1.00 0.22 N ATOM 1359 CA GLN A 82 -4.656 11.196 7.473 1.00 13.13 C ATOM 1360 C GLN A 82 -3.581 11.183 6.375 1.00 13.43 C ATOM 1361 O GLN A 82 -3.209 12.243 5.860 1.00 5.12 O ATOM 1362 CB GLN A 82 -3.985 11.086 8.869 1.00 65.24 C ATOM 1363 CG GLN A 82 -4.951 11.190 10.068 1.00 50.41 C ATOM 1364 CD GLN A 82 -5.920 12.374 9.971 1.00 15.24 C ATOM 1365 OE1 GLN A 82 -5.608 13.478 10.392 1.00 53.21 O ATOM 1366 NE2 GLN A 82 -7.115 12.139 9.435 1.00 60.23 N ATOM 0 H GLN A 82 -5.712 9.434 7.993 1.00 0.22 H new ATOM 0 HA GLN A 82 -5.190 12.145 7.428 1.00 13.13 H new ATOM 0 HB2 GLN A 82 -3.458 10.134 8.928 1.00 65.24 H new ATOM 0 HB3 GLN A 82 -3.234 11.871 8.957 1.00 65.24 H new ATOM 0 HG2 GLN A 82 -5.525 10.266 10.143 1.00 50.41 H new ATOM 0 HG3 GLN A 82 -4.370 11.280 10.986 1.00 50.41 H new ATOM 0 HE21 GLN A 82 -7.346 11.206 9.092 1.00 60.23 H new ATOM 0 HE22 GLN A 82 -7.800 12.891 9.367 1.00 60.23 H new ATOM 1375 N VAL A 83 -3.110 9.970 6.019 1.00 30.03 N ATOM 1376 CA VAL A 83 -2.078 9.790 4.988 1.00 72.02 C ATOM 1377 C VAL A 83 -2.622 10.189 3.604 1.00 74.51 C ATOM 1378 O VAL A 83 -2.042 11.058 2.946 1.00 22.42 O ATOM 1379 CB VAL A 83 -1.508 8.320 4.946 1.00 73.14 C ATOM 1380 CG1 VAL A 83 -0.435 8.175 3.830 1.00 24.20 C ATOM 1381 CG2 VAL A 83 -0.921 7.921 6.328 1.00 25.14 C ATOM 0 H VAL A 83 -3.434 9.097 6.436 1.00 30.03 H new ATOM 0 HA VAL A 83 -1.250 10.447 5.255 1.00 72.02 H new ATOM 0 HB VAL A 83 -2.330 7.643 4.715 1.00 73.14 H new ATOM 0 HG11 VAL A 83 -0.056 7.153 3.820 1.00 24.20 H new ATOM 0 HG12 VAL A 83 -0.882 8.406 2.863 1.00 24.20 H new ATOM 0 HG13 VAL A 83 0.387 8.865 4.023 1.00 24.20 H new ATOM 0 HG21 VAL A 83 -0.533 6.904 6.278 1.00 25.14 H new ATOM 0 HG22 VAL A 83 -0.114 8.605 6.592 1.00 25.14 H new ATOM 0 HG23 VAL A 83 -1.704 7.974 7.085 1.00 25.14 H new ATOM 1391 N VAL A 84 -3.757 9.574 3.192 1.00 13.14 N ATOM 1392 CA VAL A 84 -4.339 9.791 1.849 1.00 71.21 C ATOM 1393 C VAL A 84 -4.712 11.266 1.646 1.00 4.11 C ATOM 1394 O VAL A 84 -4.337 11.858 0.645 1.00 41.44 O ATOM 1395 CB VAL A 84 -5.594 8.883 1.545 1.00 25.12 C ATOM 1396 CG1 VAL A 84 -6.090 9.109 0.089 1.00 31.24 C ATOM 1397 CG2 VAL A 84 -5.289 7.379 1.787 1.00 61.34 C ATOM 0 H VAL A 84 -4.287 8.924 3.773 1.00 13.14 H new ATOM 0 HA VAL A 84 -3.559 9.502 1.144 1.00 71.21 H new ATOM 0 HB VAL A 84 -6.385 9.174 2.237 1.00 25.12 H new ATOM 0 HG11 VAL A 84 -6.956 8.475 -0.103 1.00 31.24 H new ATOM 0 HG12 VAL A 84 -6.370 10.154 -0.042 1.00 31.24 H new ATOM 0 HG13 VAL A 84 -5.293 8.856 -0.610 1.00 31.24 H new ATOM 0 HG21 VAL A 84 -6.178 6.788 1.567 1.00 61.34 H new ATOM 0 HG22 VAL A 84 -4.473 7.064 1.137 1.00 61.34 H new ATOM 0 HG23 VAL A 84 -5.002 7.229 2.828 1.00 61.34 H new ATOM 1407 N LYS A 85 -5.403 11.859 2.638 1.00 62.15 N ATOM 1408 CA LYS A 85 -5.865 13.265 2.584 1.00 3.30 C ATOM 1409 C LYS A 85 -4.691 14.262 2.629 1.00 64.22 C ATOM 1410 O LYS A 85 -4.853 15.422 2.246 1.00 54.12 O ATOM 1411 CB LYS A 85 -6.873 13.559 3.720 1.00 74.45 C ATOM 1412 CG LYS A 85 -8.226 12.835 3.571 1.00 33.52 C ATOM 1413 CD LYS A 85 -9.136 13.019 4.810 1.00 50.31 C ATOM 1414 CE LYS A 85 -10.489 12.318 4.645 1.00 33.34 C ATOM 1415 NZ LYS A 85 -11.325 12.404 5.861 1.00 31.30 N ATOM 0 H LYS A 85 -5.658 11.379 3.501 1.00 62.15 H new ATOM 0 HA LYS A 85 -6.370 13.399 1.627 1.00 3.30 H new ATOM 0 HB2 LYS A 85 -6.424 13.273 4.671 1.00 74.45 H new ATOM 0 HB3 LYS A 85 -7.052 14.633 3.762 1.00 74.45 H new ATOM 0 HG2 LYS A 85 -8.741 13.212 2.687 1.00 33.52 H new ATOM 0 HG3 LYS A 85 -8.050 11.772 3.408 1.00 33.52 H new ATOM 0 HD2 LYS A 85 -8.630 12.625 5.692 1.00 50.31 H new ATOM 0 HD3 LYS A 85 -9.299 14.083 4.984 1.00 50.31 H new ATOM 0 HE2 LYS A 85 -11.025 12.764 3.807 1.00 33.34 H new ATOM 0 HE3 LYS A 85 -10.323 11.270 4.396 1.00 33.34 H new ATOM 0 HZ1 LYS A 85 -11.563 11.446 6.187 1.00 31.30 H new ATOM 0 HZ2 LYS A 85 -10.801 12.904 6.608 1.00 31.30 H new ATOM 0 HZ3 LYS A 85 -12.200 12.923 5.645 1.00 31.30 H new ATOM 1429 N ASP A 86 -3.520 13.817 3.102 1.00 21.53 N ATOM 1430 CA ASP A 86 -2.290 14.626 3.057 1.00 24.40 C ATOM 1431 C ASP A 86 -1.716 14.630 1.618 1.00 40.43 C ATOM 1432 O ASP A 86 -1.185 15.645 1.153 1.00 11.01 O ATOM 1433 CB ASP A 86 -1.255 14.081 4.077 1.00 42.43 C ATOM 1434 CG ASP A 86 -0.007 14.967 4.197 1.00 42.23 C ATOM 1435 OD1 ASP A 86 -0.042 15.968 4.950 1.00 4.11 O ATOM 1436 OD2 ASP A 86 1.003 14.688 3.522 1.00 22.45 O ATOM 0 H ASP A 86 -3.396 12.896 3.523 1.00 21.53 H new ATOM 0 HA ASP A 86 -2.522 15.655 3.333 1.00 24.40 H new ATOM 0 HB2 ASP A 86 -1.728 13.995 5.055 1.00 42.43 H new ATOM 0 HB3 ASP A 86 -0.954 13.077 3.779 1.00 42.43 H new ATOM 1441 N VAL A 87 -1.866 13.484 0.916 1.00 63.22 N ATOM 1442 CA VAL A 87 -1.349 13.287 -0.457 1.00 53.15 C ATOM 1443 C VAL A 87 -2.250 13.991 -1.506 1.00 13.23 C ATOM 1444 O VAL A 87 -1.746 14.677 -2.399 1.00 50.55 O ATOM 1445 CB VAL A 87 -1.217 11.751 -0.797 1.00 21.13 C ATOM 1446 CG1 VAL A 87 -0.635 11.524 -2.218 1.00 61.22 C ATOM 1447 CG2 VAL A 87 -0.358 11.020 0.269 1.00 73.23 C ATOM 0 H VAL A 87 -2.351 12.667 1.287 1.00 63.22 H new ATOM 0 HA VAL A 87 -0.358 13.739 -0.499 1.00 53.15 H new ATOM 0 HB VAL A 87 -2.221 11.328 -0.781 1.00 21.13 H new ATOM 0 HG11 VAL A 87 -0.560 10.454 -2.414 1.00 61.22 H new ATOM 0 HG12 VAL A 87 -1.291 11.983 -2.958 1.00 61.22 H new ATOM 0 HG13 VAL A 87 0.355 11.975 -2.282 1.00 61.22 H new ATOM 0 HG21 VAL A 87 -0.282 9.963 0.013 1.00 73.23 H new ATOM 0 HG22 VAL A 87 0.639 11.460 0.297 1.00 73.23 H new ATOM 0 HG23 VAL A 87 -0.827 11.123 1.247 1.00 73.23 H new