USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=16 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 Single : A 9 THR OG1 : rot -135:sc= 0.298 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.0612 X(o=-0.061,f=-0.061) USER MOD Single : A 14 LYS NZ :NH3+ 170:sc= 0.415 (180deg=0.363) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -135:sc= -0.985 (180deg=-3.14!) USER MOD Single : A 23 GLN : amide:sc= -0.561 X(o=-0.56,f=-0.39) USER MOD Single : A 30 THR OG1 : rot -10:sc= 0.313 USER MOD Single : A 31 THR OG1 : rot -48:sc= 0.583 USER MOD Single : A 36 LYS NZ :NH3+ -173:sc= 0.431 (180deg=0.41) USER MOD Single : A 37 GLN : amide:sc= -0.0918 X(o=-0.092,f=-0.042) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -1.51 K(o=-1.5,f=-0.54) USER MOD Single : A 44 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0318) USER MOD Single : A 45 LYS NZ :NH3+ -148:sc= 1.19 (180deg=0.521) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -0.0467 X(o=-0.047,f=-0.13) USER MOD Single : A 62 LYS NZ :NH3+ -146:sc= -0.093 (180deg=-0.253) USER MOD Single : A 64 LYS NZ :NH3+ -127:sc= 0.519 (180deg=-0.272) USER MOD Single : A 65 GLN : amide:sc= 0.126 X(o=0.13,f=0) USER MOD Single : A 68 ASN : amide:sc= 0 K(o=0,f=-0.55) 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 180:sc= 0.00229 USER MOD Single : A 76 SER OG : rot -132:sc= 0.423 USER MOD Single : A 77 ASN : amide:sc= -0.223 K(o=-0.22,f=-4.9!) USER MOD Single : A 82 GLN : amide:sc= -0.0865 X(o=-0.087,f=-0.087) USER MOD Single : A 85 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0128) USER MOD ----------------------------------------------------------------- ATOM 27 N ARG A 3 0.683 10.054 -6.710 1.00 71.12 N ATOM 28 CA ARG A 3 -0.119 8.809 -6.719 1.00 42.21 C ATOM 29 C ARG A 3 0.335 7.889 -5.570 1.00 23.33 C ATOM 30 O ARG A 3 1.497 7.492 -5.509 1.00 31.23 O ATOM 31 CB ARG A 3 -0.018 8.084 -8.100 1.00 61.43 C ATOM 32 CG ARG A 3 -1.029 6.917 -8.303 1.00 12.15 C ATOM 33 CD ARG A 3 -2.499 7.399 -8.320 1.00 31.13 C ATOM 34 NE ARG A 3 -3.483 6.305 -8.480 1.00 75.40 N ATOM 35 CZ ARG A 3 -4.783 6.478 -8.789 1.00 33.30 C ATOM 36 NH1 ARG A 3 -5.275 7.698 -8.980 1.00 63.45 N ATOM 37 NH2 ARG A 3 -5.602 5.439 -8.868 1.00 23.20 N ATOM 0 HA ARG A 3 -1.167 9.066 -6.566 1.00 42.21 H new ATOM 0 HB2 ARG A 3 -0.169 8.818 -8.891 1.00 61.43 H new ATOM 0 HB3 ARG A 3 0.993 7.694 -8.216 1.00 61.43 H new ATOM 0 HG2 ARG A 3 -0.807 6.408 -9.241 1.00 12.15 H new ATOM 0 HG3 ARG A 3 -0.899 6.186 -7.505 1.00 12.15 H new ATOM 0 HD2 ARG A 3 -2.708 7.931 -7.392 1.00 31.13 H new ATOM 0 HD3 ARG A 3 -2.628 8.114 -9.133 1.00 31.13 H new ATOM 0 HE ARG A 3 -3.152 5.349 -8.346 1.00 75.40 H new ATOM 0 HH11 ARG A 3 -4.667 8.512 -8.893 1.00 63.45 H new ATOM 0 HH12 ARG A 3 -6.260 7.820 -9.214 1.00 63.45 H new ATOM 0 HH21 ARG A 3 -5.250 4.498 -8.694 1.00 23.20 H new ATOM 0 HH22 ARG A 3 -6.584 5.581 -9.103 1.00 23.20 H new ATOM 51 N LEU A 4 -0.591 7.601 -4.653 1.00 72.45 N ATOM 52 CA LEU A 4 -0.318 6.868 -3.408 1.00 62.51 C ATOM 53 C LEU A 4 -0.737 5.401 -3.590 1.00 43.13 C ATOM 54 O LEU A 4 -1.810 5.146 -4.125 1.00 23.02 O ATOM 55 CB LEU A 4 -1.130 7.538 -2.264 1.00 51.15 C ATOM 56 CG LEU A 4 -0.899 6.989 -0.821 1.00 55.45 C ATOM 57 CD1 LEU A 4 0.540 7.262 -0.335 1.00 53.11 C ATOM 58 CD2 LEU A 4 -1.945 7.567 0.161 1.00 52.41 C ATOM 0 H LEU A 4 -1.569 7.874 -4.753 1.00 72.45 H new ATOM 0 HA LEU A 4 0.743 6.895 -3.160 1.00 62.51 H new ATOM 0 HB2 LEU A 4 -0.900 8.603 -2.263 1.00 51.15 H new ATOM 0 HB3 LEU A 4 -2.190 7.441 -2.498 1.00 51.15 H new ATOM 0 HG LEU A 4 -1.029 5.907 -0.852 1.00 55.45 H new ATOM 0 HD11 LEU A 4 0.665 6.866 0.673 1.00 53.11 H new ATOM 0 HD12 LEU A 4 1.249 6.777 -1.006 1.00 53.11 H new ATOM 0 HD13 LEU A 4 0.724 8.336 -0.328 1.00 53.11 H new ATOM 0 HD21 LEU A 4 -1.764 7.170 1.160 1.00 52.41 H new ATOM 0 HD22 LEU A 4 -1.863 8.654 0.182 1.00 52.41 H new ATOM 0 HD23 LEU A 4 -2.946 7.285 -0.166 1.00 52.41 H new ATOM 70 N VAL A 5 0.115 4.448 -3.178 1.00 51.32 N ATOM 71 CA VAL A 5 -0.217 3.004 -3.225 1.00 21.52 C ATOM 72 C VAL A 5 -0.646 2.535 -1.829 1.00 12.14 C ATOM 73 O VAL A 5 0.122 2.650 -0.878 1.00 60.51 O ATOM 74 CB VAL A 5 0.988 2.117 -3.738 1.00 34.34 C ATOM 75 CG1 VAL A 5 0.636 0.604 -3.736 1.00 22.14 C ATOM 76 CG2 VAL A 5 1.431 2.561 -5.145 1.00 73.30 C ATOM 0 H VAL A 5 1.044 4.647 -2.806 1.00 51.32 H new ATOM 0 HA VAL A 5 -1.032 2.880 -3.938 1.00 21.52 H new ATOM 0 HB VAL A 5 1.815 2.265 -3.044 1.00 34.34 H new ATOM 0 HG11 VAL A 5 1.491 0.031 -4.095 1.00 22.14 H new ATOM 0 HG12 VAL A 5 0.389 0.289 -2.722 1.00 22.14 H new ATOM 0 HG13 VAL A 5 -0.219 0.428 -4.389 1.00 22.14 H new ATOM 0 HG21 VAL A 5 2.261 1.938 -5.479 1.00 73.30 H new ATOM 0 HG22 VAL A 5 0.597 2.457 -5.839 1.00 73.30 H new ATOM 0 HG23 VAL A 5 1.749 3.603 -5.114 1.00 73.30 H new ATOM 86 N VAL A 6 -1.884 2.037 -1.716 1.00 34.13 N ATOM 87 CA VAL A 6 -2.414 1.457 -0.477 1.00 71.23 C ATOM 88 C VAL A 6 -2.362 -0.075 -0.585 1.00 43.20 C ATOM 89 O VAL A 6 -3.062 -0.673 -1.406 1.00 50.53 O ATOM 90 CB VAL A 6 -3.881 1.935 -0.204 1.00 24.42 C ATOM 91 CG1 VAL A 6 -4.430 1.301 1.092 1.00 33.51 C ATOM 92 CG2 VAL A 6 -3.951 3.480 -0.147 1.00 35.05 C ATOM 0 H VAL A 6 -2.550 2.026 -2.488 1.00 34.13 H new ATOM 0 HA VAL A 6 -1.802 1.792 0.360 1.00 71.23 H new ATOM 0 HB VAL A 6 -4.510 1.603 -1.030 1.00 24.42 H new ATOM 0 HG11 VAL A 6 -5.450 1.646 1.262 1.00 33.51 H new ATOM 0 HG12 VAL A 6 -4.426 0.215 0.996 1.00 33.51 H new ATOM 0 HG13 VAL A 6 -3.803 1.593 1.934 1.00 33.51 H new ATOM 0 HG21 VAL A 6 -4.978 3.791 0.043 1.00 35.05 H new ATOM 0 HG22 VAL A 6 -3.307 3.844 0.654 1.00 35.05 H new ATOM 0 HG23 VAL A 6 -3.617 3.895 -1.098 1.00 35.05 H new ATOM 102 N VAL A 7 -1.520 -0.694 0.239 1.00 24.15 N ATOM 103 CA VAL A 7 -1.244 -2.132 0.190 1.00 30.20 C ATOM 104 C VAL A 7 -1.949 -2.821 1.355 1.00 11.24 C ATOM 105 O VAL A 7 -1.611 -2.594 2.517 1.00 25.30 O ATOM 106 CB VAL A 7 0.296 -2.386 0.272 1.00 20.33 C ATOM 107 CG1 VAL A 7 0.644 -3.871 0.053 1.00 44.54 C ATOM 108 CG2 VAL A 7 1.041 -1.475 -0.721 1.00 63.53 C ATOM 0 H VAL A 7 -1.002 -0.207 0.970 1.00 24.15 H new ATOM 0 HA VAL A 7 -1.615 -2.539 -0.751 1.00 30.20 H new ATOM 0 HB VAL A 7 0.627 -2.134 1.280 1.00 20.33 H new ATOM 0 HG11 VAL A 7 1.724 -4.005 0.118 1.00 44.54 H new ATOM 0 HG12 VAL A 7 0.157 -4.476 0.818 1.00 44.54 H new ATOM 0 HG13 VAL A 7 0.298 -4.184 -0.932 1.00 44.54 H new ATOM 0 HG21 VAL A 7 2.113 -1.662 -0.653 1.00 63.53 H new ATOM 0 HG22 VAL A 7 0.699 -1.685 -1.734 1.00 63.53 H new ATOM 0 HG23 VAL A 7 0.839 -0.431 -0.479 1.00 63.53 H new ATOM 118 N VAL A 8 -2.921 -3.666 1.029 1.00 11.21 N ATOM 119 CA VAL A 8 -3.797 -4.317 2.010 1.00 62.42 C ATOM 120 C VAL A 8 -3.515 -5.820 2.038 1.00 31.01 C ATOM 121 O VAL A 8 -3.113 -6.398 1.023 1.00 34.41 O ATOM 122 CB VAL A 8 -5.299 -4.055 1.649 1.00 0.51 C ATOM 123 CG1 VAL A 8 -5.628 -2.539 1.703 1.00 2.51 C ATOM 124 CG2 VAL A 8 -5.657 -4.650 0.265 1.00 13.04 C ATOM 0 H VAL A 8 -3.129 -3.925 0.065 1.00 11.21 H new ATOM 0 HA VAL A 8 -3.598 -3.900 2.997 1.00 62.42 H new ATOM 0 HB VAL A 8 -5.911 -4.560 2.396 1.00 0.51 H new ATOM 0 HG11 VAL A 8 -6.677 -2.385 1.448 1.00 2.51 H new ATOM 0 HG12 VAL A 8 -5.439 -2.161 2.708 1.00 2.51 H new ATOM 0 HG13 VAL A 8 -4.999 -2.005 0.991 1.00 2.51 H new ATOM 0 HG21 VAL A 8 -6.706 -4.451 0.044 1.00 13.04 H new ATOM 0 HG22 VAL A 8 -5.032 -4.192 -0.501 1.00 13.04 H new ATOM 0 HG23 VAL A 8 -5.486 -5.726 0.277 1.00 13.04 H new ATOM 134 N THR A 9 -3.704 -6.449 3.204 1.00 75.15 N ATOM 135 CA THR A 9 -3.524 -7.903 3.364 1.00 31.02 C ATOM 136 C THR A 9 -4.871 -8.668 3.330 1.00 41.54 C ATOM 137 O THR A 9 -4.895 -9.893 3.505 1.00 11.02 O ATOM 138 CB THR A 9 -2.734 -8.208 4.683 1.00 24.44 C ATOM 139 OG1 THR A 9 -3.331 -7.505 5.791 1.00 2.03 O ATOM 140 CG2 THR A 9 -1.243 -7.817 4.561 1.00 35.13 C ATOM 0 H THR A 9 -3.984 -5.971 4.060 1.00 75.15 H new ATOM 0 HA THR A 9 -2.942 -8.259 2.514 1.00 31.02 H new ATOM 0 HB THR A 9 -2.787 -9.283 4.857 1.00 24.44 H new ATOM 0 HG1 THR A 9 -2.627 -7.093 6.334 1.00 2.03 H new ATOM 0 HG21 THR A 9 -0.730 -8.044 5.495 1.00 35.13 H new ATOM 0 HG22 THR A 9 -0.784 -8.381 3.749 1.00 35.13 H new ATOM 0 HG23 THR A 9 -1.163 -6.750 4.353 1.00 35.13 H new ATOM 148 N SER A 10 -5.986 -7.955 3.068 1.00 63.42 N ATOM 149 CA SER A 10 -7.330 -8.564 2.956 1.00 21.03 C ATOM 150 C SER A 10 -8.084 -7.993 1.748 1.00 61.23 C ATOM 151 O SER A 10 -7.937 -6.810 1.416 1.00 1.50 O ATOM 152 CB SER A 10 -8.148 -8.323 4.247 1.00 24.41 C ATOM 153 OG SER A 10 -9.480 -8.815 4.126 1.00 0.03 O ATOM 0 H SER A 10 -5.982 -6.945 2.928 1.00 63.42 H new ATOM 0 HA SER A 10 -7.202 -9.637 2.816 1.00 21.03 H new ATOM 0 HB2 SER A 10 -7.654 -8.812 5.087 1.00 24.41 H new ATOM 0 HB3 SER A 10 -8.173 -7.256 4.468 1.00 24.41 H new ATOM 0 HG SER A 10 -9.967 -8.648 4.960 1.00 0.03 H new ATOM 159 N GLU A 11 -8.878 -8.869 1.092 1.00 43.42 N ATOM 160 CA GLU A 11 -9.778 -8.503 -0.023 1.00 33.42 C ATOM 161 C GLU A 11 -10.851 -7.511 0.441 1.00 73.42 C ATOM 162 O GLU A 11 -11.247 -6.616 -0.305 1.00 11.10 O ATOM 163 CB GLU A 11 -10.462 -9.764 -0.606 1.00 44.21 C ATOM 164 CG GLU A 11 -9.497 -10.849 -1.099 1.00 4.22 C ATOM 165 CD GLU A 11 -10.232 -12.035 -1.738 1.00 75.45 C ATOM 166 OE1 GLU A 11 -10.483 -12.003 -2.961 1.00 24.21 O ATOM 167 OE2 GLU A 11 -10.582 -12.990 -1.011 1.00 64.02 O ATOM 0 H GLU A 11 -8.912 -9.861 1.325 1.00 43.42 H new ATOM 0 HA GLU A 11 -9.172 -8.031 -0.796 1.00 33.42 H new ATOM 0 HB2 GLU A 11 -11.111 -10.194 0.157 1.00 44.21 H new ATOM 0 HB3 GLU A 11 -11.102 -9.463 -1.435 1.00 44.21 H new ATOM 0 HG2 GLU A 11 -8.808 -10.417 -1.825 1.00 4.22 H new ATOM 0 HG3 GLU A 11 -8.896 -11.205 -0.262 1.00 4.22 H new ATOM 174 N GLN A 12 -11.302 -7.698 1.696 1.00 51.40 N ATOM 175 CA GLN A 12 -12.288 -6.821 2.337 1.00 42.31 C ATOM 176 C GLN A 12 -11.713 -5.409 2.523 1.00 10.40 C ATOM 177 O GLN A 12 -12.433 -4.423 2.389 1.00 44.35 O ATOM 178 CB GLN A 12 -12.738 -7.421 3.694 1.00 51.32 C ATOM 179 CG GLN A 12 -13.427 -8.799 3.591 1.00 24.54 C ATOM 180 CD GLN A 12 -14.686 -8.793 2.712 1.00 13.04 C ATOM 181 OE1 GLN A 12 -15.799 -8.547 3.190 1.00 70.33 O ATOM 182 NE2 GLN A 12 -14.531 -9.084 1.426 1.00 73.10 N ATOM 0 H GLN A 12 -10.989 -8.465 2.291 1.00 51.40 H new ATOM 0 HA GLN A 12 -13.162 -6.745 1.690 1.00 42.31 H new ATOM 0 HB2 GLN A 12 -11.867 -7.513 4.342 1.00 51.32 H new ATOM 0 HB3 GLN A 12 -13.422 -6.723 4.176 1.00 51.32 H new ATOM 0 HG2 GLN A 12 -12.717 -9.522 3.189 1.00 24.54 H new ATOM 0 HG3 GLN A 12 -13.695 -9.138 4.592 1.00 24.54 H new ATOM 0 HE21 GLN A 12 -13.601 -9.283 1.057 1.00 73.10 H new ATOM 0 HE22 GLN A 12 -15.342 -9.108 0.807 1.00 73.10 H new ATOM 191 N LEU A 13 -10.398 -5.333 2.821 1.00 52.33 N ATOM 192 CA LEU A 13 -9.673 -4.052 2.924 1.00 41.12 C ATOM 193 C LEU A 13 -9.426 -3.446 1.523 1.00 23.41 C ATOM 194 O LEU A 13 -9.380 -2.224 1.382 1.00 21.31 O ATOM 195 CB LEU A 13 -8.320 -4.225 3.665 1.00 73.23 C ATOM 196 CG LEU A 13 -8.371 -4.650 5.167 1.00 53.43 C ATOM 197 CD1 LEU A 13 -6.937 -4.776 5.744 1.00 3.44 C ATOM 198 CD2 LEU A 13 -9.231 -3.679 6.008 1.00 71.41 C ATOM 0 H LEU A 13 -9.815 -6.152 2.995 1.00 52.33 H new ATOM 0 HA LEU A 13 -10.299 -3.371 3.501 1.00 41.12 H new ATOM 0 HB2 LEU A 13 -7.733 -4.968 3.125 1.00 73.23 H new ATOM 0 HB3 LEU A 13 -7.778 -3.282 3.600 1.00 73.23 H new ATOM 0 HG LEU A 13 -8.850 -5.628 5.221 1.00 53.43 H new ATOM 0 HD11 LEU A 13 -6.991 -5.073 6.791 1.00 3.44 H new ATOM 0 HD12 LEU A 13 -6.383 -5.528 5.182 1.00 3.44 H new ATOM 0 HD13 LEU A 13 -6.427 -3.816 5.665 1.00 3.44 H new ATOM 0 HD21 LEU A 13 -9.242 -4.009 7.047 1.00 71.41 H new ATOM 0 HD22 LEU A 13 -8.809 -2.676 5.950 1.00 71.41 H new ATOM 0 HD23 LEU A 13 -10.250 -3.667 5.621 1.00 71.41 H new ATOM 210 N LYS A 14 -9.258 -4.315 0.497 1.00 31.13 N ATOM 211 CA LYS A 14 -9.011 -3.869 -0.892 1.00 63.43 C ATOM 212 C LYS A 14 -10.209 -3.079 -1.428 1.00 23.23 C ATOM 213 O LYS A 14 -10.069 -1.909 -1.793 1.00 43.21 O ATOM 214 CB LYS A 14 -8.693 -5.061 -1.841 1.00 42.41 C ATOM 215 CG LYS A 14 -8.396 -4.635 -3.302 1.00 63.33 C ATOM 216 CD LYS A 14 -8.291 -5.830 -4.271 1.00 74.44 C ATOM 217 CE LYS A 14 -8.105 -5.393 -5.727 1.00 44.21 C ATOM 218 NZ LYS A 14 -6.842 -4.638 -5.931 1.00 10.43 N ATOM 0 H LYS A 14 -9.289 -5.329 0.607 1.00 31.13 H new ATOM 0 HA LYS A 14 -8.135 -3.220 -0.867 1.00 63.43 H new ATOM 0 HB2 LYS A 14 -7.834 -5.606 -1.449 1.00 42.41 H new ATOM 0 HB3 LYS A 14 -9.537 -5.751 -1.838 1.00 42.41 H new ATOM 0 HG2 LYS A 14 -9.183 -3.964 -3.646 1.00 63.33 H new ATOM 0 HG3 LYS A 14 -7.463 -4.071 -3.327 1.00 63.33 H new ATOM 0 HD2 LYS A 14 -7.453 -6.461 -3.975 1.00 74.44 H new ATOM 0 HD3 LYS A 14 -9.192 -6.439 -4.190 1.00 74.44 H new ATOM 0 HE2 LYS A 14 -8.108 -6.272 -6.371 1.00 44.21 H new ATOM 0 HE3 LYS A 14 -8.949 -4.773 -6.029 1.00 44.21 H new ATOM 0 HZ1 LYS A 14 -6.674 -4.510 -6.949 1.00 10.43 H new ATOM 0 HZ2 LYS A 14 -6.916 -3.707 -5.473 1.00 10.43 H new ATOM 0 HZ3 LYS A 14 -6.050 -5.167 -5.514 1.00 10.43 H new ATOM 232 N GLU A 15 -11.386 -3.729 -1.438 1.00 51.52 N ATOM 233 CA GLU A 15 -12.639 -3.118 -1.906 1.00 65.32 C ATOM 234 C GLU A 15 -13.016 -1.905 -1.046 1.00 74.10 C ATOM 235 O GLU A 15 -13.603 -0.948 -1.548 1.00 34.13 O ATOM 236 CB GLU A 15 -13.788 -4.161 -1.922 1.00 51.40 C ATOM 237 CG GLU A 15 -14.122 -4.795 -0.555 1.00 2.21 C ATOM 238 CD GLU A 15 -15.286 -5.798 -0.625 1.00 2.42 C ATOM 239 OE1 GLU A 15 -16.457 -5.352 -0.667 1.00 31.44 O ATOM 240 OE2 GLU A 15 -15.036 -7.024 -0.664 1.00 41.15 O ATOM 0 H GLU A 15 -11.494 -4.693 -1.122 1.00 51.52 H new ATOM 0 HA GLU A 15 -12.481 -2.769 -2.927 1.00 65.32 H new ATOM 0 HB2 GLU A 15 -14.686 -3.682 -2.311 1.00 51.40 H new ATOM 0 HB3 GLU A 15 -13.524 -4.957 -2.619 1.00 51.40 H new ATOM 0 HG2 GLU A 15 -13.237 -5.301 -0.169 1.00 2.21 H new ATOM 0 HG3 GLU A 15 -14.372 -4.006 0.154 1.00 2.21 H new ATOM 247 N GLU A 16 -12.630 -1.953 0.242 1.00 13.25 N ATOM 248 CA GLU A 16 -12.881 -0.869 1.199 1.00 11.40 C ATOM 249 C GLU A 16 -12.163 0.421 0.770 1.00 74.04 C ATOM 250 O GLU A 16 -12.810 1.456 0.581 1.00 1.52 O ATOM 251 CB GLU A 16 -12.437 -1.301 2.619 1.00 41.11 C ATOM 252 CG GLU A 16 -12.731 -0.286 3.746 1.00 75.42 C ATOM 253 CD GLU A 16 -14.227 0.068 3.872 1.00 52.34 C ATOM 254 OE1 GLU A 16 -15.007 -0.777 4.365 1.00 30.53 O ATOM 255 OE2 GLU A 16 -14.625 1.182 3.478 1.00 34.21 O ATOM 0 H GLU A 16 -12.134 -2.748 0.646 1.00 13.25 H new ATOM 0 HA GLU A 16 -13.951 -0.663 1.216 1.00 11.40 H new ATOM 0 HB2 GLU A 16 -12.929 -2.242 2.864 1.00 41.11 H new ATOM 0 HB3 GLU A 16 -11.365 -1.497 2.601 1.00 41.11 H new ATOM 0 HG2 GLU A 16 -12.380 -0.694 4.694 1.00 75.42 H new ATOM 0 HG3 GLU A 16 -12.163 0.626 3.562 1.00 75.42 H new ATOM 262 N VAL A 17 -10.827 0.344 0.588 1.00 10.41 N ATOM 263 CA VAL A 17 -10.022 1.525 0.238 1.00 72.34 C ATOM 264 C VAL A 17 -10.315 2.002 -1.207 1.00 30.01 C ATOM 265 O VAL A 17 -10.239 3.200 -1.491 1.00 72.33 O ATOM 266 CB VAL A 17 -8.483 1.317 0.464 1.00 61.25 C ATOM 267 CG1 VAL A 17 -7.714 2.644 0.221 1.00 3.31 C ATOM 268 CG2 VAL A 17 -8.193 0.768 1.884 1.00 25.53 C ATOM 0 H VAL A 17 -10.290 -0.519 0.678 1.00 10.41 H new ATOM 0 HA VAL A 17 -10.328 2.311 0.928 1.00 72.34 H new ATOM 0 HB VAL A 17 -8.134 0.577 -0.256 1.00 61.25 H new ATOM 0 HG11 VAL A 17 -6.648 2.482 0.382 1.00 3.31 H new ATOM 0 HG12 VAL A 17 -7.879 2.978 -0.803 1.00 3.31 H new ATOM 0 HG13 VAL A 17 -8.074 3.405 0.913 1.00 3.31 H new ATOM 0 HG21 VAL A 17 -7.119 0.634 2.010 1.00 25.53 H new ATOM 0 HG22 VAL A 17 -8.561 1.474 2.629 1.00 25.53 H new ATOM 0 HG23 VAL A 17 -8.695 -0.191 2.013 1.00 25.53 H new ATOM 278 N ARG A 18 -10.672 1.061 -2.107 1.00 73.32 N ATOM 279 CA ARG A 18 -11.145 1.403 -3.466 1.00 20.21 C ATOM 280 C ARG A 18 -12.472 2.201 -3.412 1.00 0.22 C ATOM 281 O ARG A 18 -12.682 3.110 -4.215 1.00 51.30 O ATOM 282 CB ARG A 18 -11.314 0.125 -4.344 1.00 31.10 C ATOM 283 CG ARG A 18 -9.991 -0.590 -4.698 1.00 2.11 C ATOM 284 CD ARG A 18 -10.179 -1.775 -5.663 1.00 33.51 C ATOM 285 NE ARG A 18 -10.975 -2.891 -5.089 1.00 22.42 N ATOM 286 CZ ARG A 18 -12.116 -3.385 -5.614 1.00 41.31 C ATOM 287 NH1 ARG A 18 -12.646 -2.866 -6.721 1.00 51.12 N ATOM 288 NH2 ARG A 18 -12.703 -4.434 -5.050 1.00 2.34 N ATOM 0 H ARG A 18 -10.642 0.059 -1.917 1.00 73.32 H new ATOM 0 HA ARG A 18 -10.385 2.034 -3.926 1.00 20.21 H new ATOM 0 HB2 ARG A 18 -11.962 -0.577 -3.820 1.00 31.10 H new ATOM 0 HB3 ARG A 18 -11.822 0.399 -5.268 1.00 31.10 H new ATOM 0 HG2 ARG A 18 -9.306 0.130 -5.146 1.00 2.11 H new ATOM 0 HG3 ARG A 18 -9.523 -0.948 -3.781 1.00 2.11 H new ATOM 0 HD2 ARG A 18 -10.669 -1.420 -6.570 1.00 33.51 H new ATOM 0 HD3 ARG A 18 -9.199 -2.152 -5.957 1.00 33.51 H new ATOM 0 HE ARG A 18 -10.631 -3.318 -4.229 1.00 22.42 H new ATOM 0 HH11 ARG A 18 -12.189 -2.082 -7.186 1.00 51.12 H new ATOM 0 HH12 ARG A 18 -13.509 -3.253 -7.103 1.00 51.12 H new ATOM 0 HH21 ARG A 18 -12.292 -4.865 -4.222 1.00 2.34 H new ATOM 0 HH22 ARG A 18 -13.565 -4.809 -5.445 1.00 2.34 H new ATOM 302 N LYS A 19 -13.332 1.872 -2.423 1.00 72.14 N ATOM 303 CA LYS A 19 -14.668 2.483 -2.248 1.00 44.32 C ATOM 304 C LYS A 19 -14.517 3.954 -1.808 1.00 45.54 C ATOM 305 O LYS A 19 -15.176 4.853 -2.347 1.00 32.25 O ATOM 306 CB LYS A 19 -15.478 1.662 -1.189 1.00 63.11 C ATOM 307 CG LYS A 19 -16.938 2.133 -0.876 1.00 64.30 C ATOM 308 CD LYS A 19 -18.043 1.434 -1.712 1.00 1.31 C ATOM 309 CE LYS A 19 -17.974 1.738 -3.216 1.00 72.33 C ATOM 310 NZ LYS A 19 -19.116 1.138 -3.959 1.00 55.13 N ATOM 0 H LYS A 19 -13.116 1.168 -1.717 1.00 72.14 H new ATOM 0 HA LYS A 19 -15.210 2.465 -3.193 1.00 44.32 H new ATOM 0 HB2 LYS A 19 -15.523 0.627 -1.528 1.00 63.11 H new ATOM 0 HB3 LYS A 19 -14.915 1.668 -0.256 1.00 63.11 H new ATOM 0 HG2 LYS A 19 -17.140 1.963 0.181 1.00 64.30 H new ATOM 0 HG3 LYS A 19 -17.001 3.208 -1.044 1.00 64.30 H new ATOM 0 HD2 LYS A 19 -17.968 0.356 -1.566 1.00 1.31 H new ATOM 0 HD3 LYS A 19 -19.019 1.740 -1.334 1.00 1.31 H new ATOM 0 HE2 LYS A 19 -17.970 2.817 -3.368 1.00 72.33 H new ATOM 0 HE3 LYS A 19 -17.037 1.355 -3.621 1.00 72.33 H new ATOM 0 HZ1 LYS A 19 -19.031 1.367 -4.970 1.00 55.13 H new ATOM 0 HZ2 LYS A 19 -19.106 0.105 -3.836 1.00 55.13 H new ATOM 0 HZ3 LYS A 19 -20.010 1.522 -3.591 1.00 55.13 H new ATOM 324 N LYS A 20 -13.611 4.187 -0.833 1.00 34.14 N ATOM 325 CA LYS A 20 -13.326 5.550 -0.315 1.00 71.51 C ATOM 326 C LYS A 20 -12.460 6.371 -1.289 1.00 31.52 C ATOM 327 O LYS A 20 -12.680 7.578 -1.450 1.00 11.20 O ATOM 328 CB LYS A 20 -12.660 5.524 1.115 1.00 34.20 C ATOM 329 CG LYS A 20 -11.796 4.301 1.448 1.00 0.33 C ATOM 330 CD LYS A 20 -11.230 4.264 2.902 1.00 10.41 C ATOM 331 CE LYS A 20 -12.296 4.074 4.006 1.00 63.12 C ATOM 332 NZ LYS A 20 -13.159 5.274 4.222 1.00 60.51 N ATOM 0 H LYS A 20 -13.063 3.451 -0.387 1.00 34.14 H new ATOM 0 HA LYS A 20 -14.295 6.040 -0.224 1.00 71.51 H new ATOM 0 HB2 LYS A 20 -12.042 6.416 1.219 1.00 34.20 H new ATOM 0 HB3 LYS A 20 -13.452 5.595 1.861 1.00 34.20 H new ATOM 0 HG2 LYS A 20 -12.389 3.401 1.283 1.00 0.33 H new ATOM 0 HG3 LYS A 20 -10.961 4.265 0.749 1.00 0.33 H new ATOM 0 HD2 LYS A 20 -10.504 3.454 2.974 1.00 10.41 H new ATOM 0 HD3 LYS A 20 -10.692 5.193 3.092 1.00 10.41 H new ATOM 0 HE2 LYS A 20 -12.928 3.225 3.746 1.00 63.12 H new ATOM 0 HE3 LYS A 20 -11.796 3.824 4.942 1.00 63.12 H new ATOM 0 HZ1 LYS A 20 -13.258 5.452 5.242 1.00 60.51 H new ATOM 0 HZ2 LYS A 20 -12.723 6.101 3.767 1.00 60.51 H new ATOM 0 HZ3 LYS A 20 -14.098 5.105 3.808 1.00 60.51 H new ATOM 346 N PHE A 21 -11.480 5.718 -1.939 1.00 52.33 N ATOM 347 CA PHE A 21 -10.416 6.414 -2.704 1.00 62.45 C ATOM 348 C PHE A 21 -10.105 5.702 -4.038 1.00 13.30 C ATOM 349 O PHE A 21 -9.356 4.719 -4.054 1.00 63.30 O ATOM 350 CB PHE A 21 -9.113 6.535 -1.863 1.00 51.24 C ATOM 351 CG PHE A 21 -9.289 7.224 -0.516 1.00 44.10 C ATOM 352 CD1 PHE A 21 -9.593 8.581 -0.438 1.00 42.01 C ATOM 353 CD2 PHE A 21 -9.164 6.517 0.673 1.00 51.44 C ATOM 354 CE1 PHE A 21 -9.749 9.196 0.790 1.00 42.20 C ATOM 355 CE2 PHE A 21 -9.322 7.135 1.884 1.00 32.43 C ATOM 356 CZ PHE A 21 -9.611 8.466 1.948 1.00 63.11 C ATOM 0 H PHE A 21 -11.398 4.701 -1.953 1.00 52.33 H new ATOM 0 HA PHE A 21 -10.793 7.412 -2.929 1.00 62.45 H new ATOM 0 HB2 PHE A 21 -8.710 5.536 -1.695 1.00 51.24 H new ATOM 0 HB3 PHE A 21 -8.372 7.084 -2.443 1.00 51.24 H new ATOM 0 HD1 PHE A 21 -9.708 9.157 -1.344 1.00 42.01 H new ATOM 0 HD2 PHE A 21 -8.938 5.461 0.641 1.00 51.44 H new ATOM 0 HE1 PHE A 21 -9.979 10.250 0.841 1.00 42.20 H new ATOM 0 HE2 PHE A 21 -9.217 6.565 2.795 1.00 32.43 H new ATOM 0 HZ PHE A 21 -9.732 8.947 2.907 1.00 63.11 H new ATOM 366 N PRO A 22 -10.704 6.162 -5.177 1.00 40.34 N ATOM 367 CA PRO A 22 -10.269 5.746 -6.539 1.00 72.12 C ATOM 368 C PRO A 22 -8.983 6.492 -6.988 1.00 64.11 C ATOM 369 O PRO A 22 -8.427 6.227 -8.060 1.00 60.32 O ATOM 370 CB PRO A 22 -11.484 6.139 -7.406 1.00 43.33 C ATOM 371 CG PRO A 22 -12.063 7.344 -6.724 1.00 14.53 C ATOM 372 CD PRO A 22 -11.855 7.113 -5.236 1.00 61.51 C ATOM 0 HA PRO A 22 -10.007 4.690 -6.605 1.00 72.12 H new ATOM 0 HB2 PRO A 22 -11.184 6.368 -8.428 1.00 43.33 H new ATOM 0 HB3 PRO A 22 -12.210 5.328 -7.462 1.00 43.33 H new ATOM 0 HG2 PRO A 22 -11.565 8.257 -7.052 1.00 14.53 H new ATOM 0 HG3 PRO A 22 -13.121 7.456 -6.959 1.00 14.53 H new ATOM 0 HD2 PRO A 22 -11.631 8.044 -4.715 1.00 61.51 H new ATOM 0 HD3 PRO A 22 -12.745 6.692 -4.769 1.00 61.51 H new ATOM 380 N GLN A 23 -8.531 7.442 -6.150 1.00 35.21 N ATOM 381 CA GLN A 23 -7.348 8.278 -6.420 1.00 72.15 C ATOM 382 C GLN A 23 -6.046 7.640 -5.886 1.00 53.41 C ATOM 383 O GLN A 23 -4.974 8.264 -5.952 1.00 62.10 O ATOM 384 CB GLN A 23 -7.567 9.680 -5.808 1.00 15.34 C ATOM 385 CG GLN A 23 -7.737 9.690 -4.278 1.00 4.30 C ATOM 386 CD GLN A 23 -8.088 11.066 -3.712 1.00 33.42 C ATOM 387 OE1 GLN A 23 -8.784 11.866 -4.339 1.00 64.43 O ATOM 388 NE2 GLN A 23 -7.559 11.374 -2.551 1.00 45.35 N ATOM 0 H GLN A 23 -8.980 7.653 -5.259 1.00 35.21 H new ATOM 0 HA GLN A 23 -7.229 8.363 -7.500 1.00 72.15 H new ATOM 0 HB2 GLN A 23 -6.720 10.313 -6.071 1.00 15.34 H new ATOM 0 HB3 GLN A 23 -8.452 10.126 -6.262 1.00 15.34 H new ATOM 0 HG2 GLN A 23 -8.519 8.982 -4.003 1.00 4.30 H new ATOM 0 HG3 GLN A 23 -6.814 9.340 -3.816 1.00 4.30 H new ATOM 0 HE21 GLN A 23 -6.987 10.691 -2.054 1.00 45.35 H new ATOM 0 HE22 GLN A 23 -7.720 12.296 -2.146 1.00 45.35 H new ATOM 397 N VAL A 24 -6.137 6.403 -5.365 1.00 51.55 N ATOM 398 CA VAL A 24 -4.969 5.614 -4.919 1.00 33.42 C ATOM 399 C VAL A 24 -4.915 4.249 -5.653 1.00 44.12 C ATOM 400 O VAL A 24 -5.932 3.770 -6.169 1.00 42.23 O ATOM 401 CB VAL A 24 -4.985 5.396 -3.356 1.00 12.31 C ATOM 402 CG1 VAL A 24 -4.915 6.742 -2.587 1.00 11.34 C ATOM 403 CG2 VAL A 24 -6.214 4.571 -2.921 1.00 15.03 C ATOM 0 H VAL A 24 -7.026 5.918 -5.240 1.00 51.55 H new ATOM 0 HA VAL A 24 -4.073 6.181 -5.171 1.00 33.42 H new ATOM 0 HB VAL A 24 -4.091 4.828 -3.099 1.00 12.31 H new ATOM 0 HG11 VAL A 24 -4.928 6.549 -1.514 1.00 11.34 H new ATOM 0 HG12 VAL A 24 -3.995 7.264 -2.850 1.00 11.34 H new ATOM 0 HG13 VAL A 24 -5.772 7.359 -2.855 1.00 11.34 H new ATOM 0 HG21 VAL A 24 -6.198 4.437 -1.839 1.00 15.03 H new ATOM 0 HG22 VAL A 24 -7.125 5.096 -3.208 1.00 15.03 H new ATOM 0 HG23 VAL A 24 -6.189 3.596 -3.408 1.00 15.03 H new ATOM 413 N GLU A 25 -3.715 3.649 -5.715 1.00 70.21 N ATOM 414 CA GLU A 25 -3.509 2.284 -6.233 1.00 63.50 C ATOM 415 C GLU A 25 -3.635 1.273 -5.080 1.00 25.50 C ATOM 416 O GLU A 25 -2.707 1.122 -4.286 1.00 43.24 O ATOM 417 CB GLU A 25 -2.106 2.165 -6.897 1.00 33.34 C ATOM 418 CG GLU A 25 -1.877 3.079 -8.114 1.00 43.52 C ATOM 419 CD GLU A 25 -2.782 2.733 -9.312 1.00 65.42 C ATOM 420 OE1 GLU A 25 -2.408 1.861 -10.124 1.00 14.11 O ATOM 421 OE2 GLU A 25 -3.872 3.329 -9.441 1.00 43.13 O ATOM 0 H GLU A 25 -2.854 4.100 -5.405 1.00 70.21 H new ATOM 0 HA GLU A 25 -4.268 2.069 -6.986 1.00 63.50 H new ATOM 0 HB2 GLU A 25 -1.347 2.388 -6.147 1.00 33.34 H new ATOM 0 HB3 GLU A 25 -1.955 1.131 -7.206 1.00 33.34 H new ATOM 0 HG2 GLU A 25 -2.053 4.114 -7.821 1.00 43.52 H new ATOM 0 HG3 GLU A 25 -0.834 3.008 -8.422 1.00 43.52 H new ATOM 428 N VAL A 26 -4.788 0.590 -4.980 1.00 31.20 N ATOM 429 CA VAL A 26 -5.044 -0.382 -3.896 1.00 42.32 C ATOM 430 C VAL A 26 -4.719 -1.804 -4.385 1.00 74.12 C ATOM 431 O VAL A 26 -5.453 -2.354 -5.215 1.00 40.30 O ATOM 432 CB VAL A 26 -6.531 -0.337 -3.375 1.00 51.23 C ATOM 433 CG1 VAL A 26 -6.700 -1.203 -2.101 1.00 21.22 C ATOM 434 CG2 VAL A 26 -6.997 1.112 -3.128 1.00 72.34 C ATOM 0 H VAL A 26 -5.561 0.692 -5.637 1.00 31.20 H new ATOM 0 HA VAL A 26 -4.398 -0.106 -3.063 1.00 42.32 H new ATOM 0 HB VAL A 26 -7.167 -0.758 -4.154 1.00 51.23 H new ATOM 0 HG11 VAL A 26 -7.735 -1.154 -1.763 1.00 21.22 H new ATOM 0 HG12 VAL A 26 -6.440 -2.237 -2.327 1.00 21.22 H new ATOM 0 HG13 VAL A 26 -6.044 -0.827 -1.316 1.00 21.22 H new ATOM 0 HG21 VAL A 26 -8.026 1.107 -2.769 1.00 72.34 H new ATOM 0 HG22 VAL A 26 -6.355 1.578 -2.381 1.00 72.34 H new ATOM 0 HG23 VAL A 26 -6.940 1.676 -4.059 1.00 72.34 H new ATOM 444 N ARG A 27 -3.623 -2.396 -3.875 1.00 24.43 N ATOM 445 CA ARG A 27 -3.197 -3.757 -4.256 1.00 52.11 C ATOM 446 C ARG A 27 -3.411 -4.728 -3.083 1.00 20.23 C ATOM 447 O ARG A 27 -3.093 -4.417 -1.933 1.00 31.13 O ATOM 448 CB ARG A 27 -1.710 -3.769 -4.717 1.00 63.22 C ATOM 449 CG ARG A 27 -1.220 -5.112 -5.347 1.00 62.44 C ATOM 450 CD ARG A 27 -2.180 -5.672 -6.413 1.00 64.31 C ATOM 451 NE ARG A 27 -1.623 -6.800 -7.188 1.00 30.25 N ATOM 452 CZ ARG A 27 -1.802 -8.104 -6.915 1.00 51.42 C ATOM 453 NH1 ARG A 27 -2.498 -8.503 -5.858 1.00 43.40 N ATOM 454 NH2 ARG A 27 -1.335 -9.015 -7.753 1.00 15.20 N ATOM 0 H ARG A 27 -3.011 -1.949 -3.192 1.00 24.43 H new ATOM 0 HA ARG A 27 -3.809 -4.085 -5.097 1.00 52.11 H new ATOM 0 HB2 ARG A 27 -1.565 -2.971 -5.445 1.00 63.22 H new ATOM 0 HB3 ARG A 27 -1.078 -3.537 -3.859 1.00 63.22 H new ATOM 0 HG2 ARG A 27 -0.239 -4.958 -5.797 1.00 62.44 H new ATOM 0 HG3 ARG A 27 -1.095 -5.852 -4.556 1.00 62.44 H new ATOM 0 HD2 ARG A 27 -3.099 -5.998 -5.925 1.00 64.31 H new ATOM 0 HD3 ARG A 27 -2.451 -4.871 -7.100 1.00 64.31 H new ATOM 0 HE ARG A 27 -1.053 -6.569 -8.001 1.00 30.25 H new ATOM 0 HH11 ARG A 27 -2.912 -7.814 -5.230 1.00 43.40 H new ATOM 0 HH12 ARG A 27 -2.619 -9.499 -5.673 1.00 43.40 H new ATOM 0 HH21 ARG A 27 -0.843 -8.726 -8.599 1.00 15.20 H new ATOM 0 HH22 ARG A 27 -1.466 -10.007 -7.553 1.00 15.20 H new ATOM 468 N LEU A 28 -3.945 -5.908 -3.413 1.00 53.31 N ATOM 469 CA LEU A 28 -4.187 -7.008 -2.477 1.00 23.31 C ATOM 470 C LEU A 28 -2.894 -7.803 -2.247 1.00 14.42 C ATOM 471 O LEU A 28 -2.077 -7.919 -3.156 1.00 4.22 O ATOM 472 CB LEU A 28 -5.279 -7.921 -3.086 1.00 35.23 C ATOM 473 CG LEU A 28 -5.552 -9.290 -2.393 1.00 35.31 C ATOM 474 CD1 LEU A 28 -6.031 -9.111 -0.937 1.00 12.03 C ATOM 475 CD2 LEU A 28 -6.550 -10.125 -3.224 1.00 22.42 C ATOM 0 H LEU A 28 -4.229 -6.130 -4.367 1.00 53.31 H new ATOM 0 HA LEU A 28 -4.517 -6.619 -1.514 1.00 23.31 H new ATOM 0 HB2 LEU A 28 -6.214 -7.361 -3.101 1.00 35.23 H new ATOM 0 HB3 LEU A 28 -5.010 -8.119 -4.124 1.00 35.23 H new ATOM 0 HG LEU A 28 -4.610 -9.837 -2.346 1.00 35.31 H new ATOM 0 HD11 LEU A 28 -6.210 -10.089 -0.490 1.00 12.03 H new ATOM 0 HD12 LEU A 28 -5.267 -8.585 -0.365 1.00 12.03 H new ATOM 0 HD13 LEU A 28 -6.955 -8.533 -0.926 1.00 12.03 H new ATOM 0 HD21 LEU A 28 -6.730 -11.078 -2.726 1.00 22.42 H new ATOM 0 HD22 LEU A 28 -7.490 -9.581 -3.317 1.00 22.42 H new ATOM 0 HD23 LEU A 28 -6.136 -10.306 -4.216 1.00 22.42 H new ATOM 487 N VAL A 29 -2.707 -8.298 -1.007 1.00 42.02 N ATOM 488 CA VAL A 29 -1.652 -9.258 -0.652 1.00 23.40 C ATOM 489 C VAL A 29 -2.287 -10.454 0.074 1.00 43.34 C ATOM 490 O VAL A 29 -2.716 -10.330 1.225 1.00 71.12 O ATOM 491 CB VAL A 29 -0.521 -8.608 0.243 1.00 61.12 C ATOM 492 CG1 VAL A 29 0.535 -9.652 0.691 1.00 72.52 C ATOM 493 CG2 VAL A 29 0.156 -7.426 -0.489 1.00 24.32 C ATOM 0 H VAL A 29 -3.295 -8.036 -0.216 1.00 42.02 H new ATOM 0 HA VAL A 29 -1.171 -9.588 -1.573 1.00 23.40 H new ATOM 0 HB VAL A 29 -1.005 -8.225 1.142 1.00 61.12 H new ATOM 0 HG11 VAL A 29 1.293 -9.163 1.303 1.00 72.52 H new ATOM 0 HG12 VAL A 29 0.048 -10.435 1.272 1.00 72.52 H new ATOM 0 HG13 VAL A 29 1.007 -10.092 -0.187 1.00 72.52 H new ATOM 0 HG21 VAL A 29 0.929 -6.998 0.149 1.00 24.32 H new ATOM 0 HG22 VAL A 29 0.606 -7.782 -1.416 1.00 24.32 H new ATOM 0 HG23 VAL A 29 -0.589 -6.664 -0.717 1.00 24.32 H new ATOM 503 N THR A 30 -2.402 -11.595 -0.631 1.00 34.14 N ATOM 504 CA THR A 30 -2.816 -12.890 -0.029 1.00 34.34 C ATOM 505 C THR A 30 -1.582 -13.804 0.117 1.00 63.33 C ATOM 506 O THR A 30 -1.444 -14.549 1.094 1.00 64.35 O ATOM 507 CB THR A 30 -3.912 -13.620 -0.887 1.00 4.50 C ATOM 508 OG1 THR A 30 -3.469 -13.772 -2.239 1.00 31.43 O ATOM 509 CG2 THR A 30 -5.252 -12.870 -0.884 1.00 55.43 C ATOM 0 H THR A 30 -2.213 -11.652 -1.632 1.00 34.14 H new ATOM 0 HA THR A 30 -3.251 -12.678 0.948 1.00 34.34 H new ATOM 0 HB THR A 30 -4.067 -14.597 -0.429 1.00 4.50 H new ATOM 0 HG1 THR A 30 -2.650 -13.252 -2.375 1.00 31.43 H new ATOM 0 HG21 THR A 30 -5.975 -13.415 -1.491 1.00 55.43 H new ATOM 0 HG22 THR A 30 -5.622 -12.791 0.138 1.00 55.43 H new ATOM 0 HG23 THR A 30 -5.111 -11.871 -1.297 1.00 55.43 H new ATOM 517 N THR A 31 -0.693 -13.724 -0.888 1.00 44.12 N ATOM 518 CA THR A 31 0.587 -14.446 -0.932 1.00 41.41 C ATOM 519 C THR A 31 1.733 -13.418 -0.954 1.00 13.51 C ATOM 520 O THR A 31 1.499 -12.215 -1.169 1.00 13.11 O ATOM 521 CB THR A 31 0.688 -15.368 -2.205 1.00 72.04 C ATOM 522 OG1 THR A 31 0.731 -14.567 -3.396 1.00 41.11 O ATOM 523 CG2 THR A 31 -0.492 -16.355 -2.316 1.00 2.14 C ATOM 0 H THR A 31 -0.850 -13.142 -1.711 1.00 44.12 H new ATOM 0 HA THR A 31 0.656 -15.084 -0.051 1.00 41.41 H new ATOM 0 HB THR A 31 1.606 -15.946 -2.098 1.00 72.04 H new ATOM 0 HG1 THR A 31 0.019 -13.895 -3.364 1.00 41.11 H new ATOM 0 HG21 THR A 31 -0.372 -16.966 -3.211 1.00 2.14 H new ATOM 0 HG22 THR A 31 -0.512 -16.999 -1.437 1.00 2.14 H new ATOM 0 HG23 THR A 31 -1.427 -15.799 -2.379 1.00 2.14 H new ATOM 531 N GLU A 32 2.968 -13.910 -0.762 1.00 53.04 N ATOM 532 CA GLU A 32 4.194 -13.093 -0.856 1.00 32.41 C ATOM 533 C GLU A 32 4.366 -12.537 -2.280 1.00 53.55 C ATOM 534 O GLU A 32 4.933 -11.456 -2.471 1.00 3.40 O ATOM 535 CB GLU A 32 5.436 -13.939 -0.470 1.00 43.20 C ATOM 536 CG GLU A 32 6.780 -13.182 -0.529 1.00 61.52 C ATOM 537 CD GLU A 32 7.990 -14.087 -0.280 1.00 62.33 C ATOM 538 OE1 GLU A 32 8.086 -14.666 0.816 1.00 4.21 O ATOM 539 OE2 GLU A 32 8.849 -14.217 -1.174 1.00 41.35 O ATOM 0 H GLU A 32 3.147 -14.888 -0.536 1.00 53.04 H new ATOM 0 HA GLU A 32 4.101 -12.258 -0.162 1.00 32.41 H new ATOM 0 HB2 GLU A 32 5.296 -14.324 0.540 1.00 43.20 H new ATOM 0 HB3 GLU A 32 5.491 -14.801 -1.135 1.00 43.20 H new ATOM 0 HG2 GLU A 32 6.882 -12.710 -1.506 1.00 61.52 H new ATOM 0 HG3 GLU A 32 6.773 -12.383 0.212 1.00 61.52 H new ATOM 546 N GLU A 33 3.858 -13.296 -3.274 1.00 54.45 N ATOM 547 CA GLU A 33 3.953 -12.932 -4.687 1.00 11.11 C ATOM 548 C GLU A 33 3.171 -11.639 -4.980 1.00 41.41 C ATOM 549 O GLU A 33 3.620 -10.819 -5.777 1.00 51.14 O ATOM 550 CB GLU A 33 3.455 -14.088 -5.591 1.00 42.41 C ATOM 551 CG GLU A 33 3.724 -13.870 -7.097 1.00 20.53 C ATOM 552 CD GLU A 33 5.214 -13.609 -7.406 1.00 3.01 C ATOM 553 OE1 GLU A 33 6.033 -14.550 -7.291 1.00 34.31 O ATOM 554 OE2 GLU A 33 5.579 -12.466 -7.766 1.00 15.42 O ATOM 0 H GLU A 33 3.372 -14.177 -3.110 1.00 54.45 H new ATOM 0 HA GLU A 33 5.004 -12.750 -4.913 1.00 11.11 H new ATOM 0 HB2 GLU A 33 3.936 -15.014 -5.277 1.00 42.41 H new ATOM 0 HB3 GLU A 33 2.384 -14.218 -5.439 1.00 42.41 H new ATOM 0 HG2 GLU A 33 3.391 -14.747 -7.652 1.00 20.53 H new ATOM 0 HG3 GLU A 33 3.131 -13.026 -7.449 1.00 20.53 H new ATOM 561 N ASP A 34 2.013 -11.460 -4.308 1.00 63.11 N ATOM 562 CA ASP A 34 1.193 -10.237 -4.444 1.00 13.33 C ATOM 563 C ASP A 34 1.952 -9.006 -3.930 1.00 24.31 C ATOM 564 O ASP A 34 1.839 -7.928 -4.503 1.00 23.33 O ATOM 565 CB ASP A 34 -0.141 -10.361 -3.686 1.00 40.42 C ATOM 566 CG ASP A 34 -1.077 -11.430 -4.250 1.00 4.40 C ATOM 567 OD1 ASP A 34 -1.590 -11.250 -5.372 1.00 3.14 O ATOM 568 OD2 ASP A 34 -1.313 -12.442 -3.572 1.00 13.45 O ATOM 0 H ASP A 34 1.624 -12.149 -3.664 1.00 63.11 H new ATOM 0 HA ASP A 34 0.982 -10.115 -5.506 1.00 13.33 H new ATOM 0 HB2 ASP A 34 0.066 -10.589 -2.640 1.00 40.42 H new ATOM 0 HB3 ASP A 34 -0.651 -9.398 -3.707 1.00 40.42 H new ATOM 573 N ALA A 35 2.716 -9.196 -2.835 1.00 15.24 N ATOM 574 CA ALA A 35 3.594 -8.153 -2.266 1.00 32.34 C ATOM 575 C ALA A 35 4.690 -7.747 -3.279 1.00 43.22 C ATOM 576 O ALA A 35 5.081 -6.580 -3.363 1.00 32.44 O ATOM 577 CB ALA A 35 4.214 -8.645 -0.948 1.00 53.12 C ATOM 0 H ALA A 35 2.742 -10.076 -2.320 1.00 15.24 H new ATOM 0 HA ALA A 35 2.994 -7.268 -2.054 1.00 32.34 H new ATOM 0 HB1 ALA A 35 4.859 -7.868 -0.537 1.00 53.12 H new ATOM 0 HB2 ALA A 35 3.421 -8.872 -0.235 1.00 53.12 H new ATOM 0 HB3 ALA A 35 4.802 -9.544 -1.136 1.00 53.12 H new ATOM 583 N LYS A 36 5.164 -8.734 -4.055 1.00 13.22 N ATOM 584 CA LYS A 36 6.132 -8.520 -5.145 1.00 4.32 C ATOM 585 C LYS A 36 5.475 -7.783 -6.329 1.00 65.20 C ATOM 586 O LYS A 36 6.129 -6.977 -7.002 1.00 1.24 O ATOM 587 CB LYS A 36 6.711 -9.880 -5.592 1.00 3.35 C ATOM 588 CG LYS A 36 7.492 -10.619 -4.481 1.00 72.31 C ATOM 589 CD LYS A 36 7.819 -12.079 -4.861 1.00 1.01 C ATOM 590 CE LYS A 36 8.663 -12.205 -6.145 1.00 54.20 C ATOM 591 NZ LYS A 36 8.864 -13.628 -6.532 1.00 42.32 N ATOM 0 H LYS A 36 4.886 -9.709 -3.944 1.00 13.22 H new ATOM 0 HA LYS A 36 6.945 -7.891 -4.781 1.00 4.32 H new ATOM 0 HB2 LYS A 36 5.896 -10.517 -5.935 1.00 3.35 H new ATOM 0 HB3 LYS A 36 7.372 -9.721 -6.444 1.00 3.35 H new ATOM 0 HG2 LYS A 36 8.419 -10.084 -4.275 1.00 72.31 H new ATOM 0 HG3 LYS A 36 6.907 -10.608 -3.561 1.00 72.31 H new ATOM 0 HD2 LYS A 36 8.354 -12.550 -4.036 1.00 1.01 H new ATOM 0 HD3 LYS A 36 6.887 -12.629 -4.992 1.00 1.01 H new ATOM 0 HE2 LYS A 36 8.170 -11.672 -6.958 1.00 54.20 H new ATOM 0 HE3 LYS A 36 9.631 -11.729 -5.993 1.00 54.20 H new ATOM 0 HZ1 LYS A 36 9.532 -13.680 -7.328 1.00 42.32 H new ATOM 0 HZ2 LYS A 36 9.248 -14.157 -5.723 1.00 42.32 H new ATOM 0 HZ3 LYS A 36 7.953 -14.042 -6.816 1.00 42.32 H new ATOM 605 N GLN A 37 4.171 -8.062 -6.561 1.00 4.32 N ATOM 606 CA GLN A 37 3.375 -7.368 -7.597 1.00 22.22 C ATOM 607 C GLN A 37 3.170 -5.894 -7.205 1.00 54.53 C ATOM 608 O GLN A 37 3.121 -5.019 -8.075 1.00 63.52 O ATOM 609 CB GLN A 37 2.001 -8.062 -7.836 1.00 43.24 C ATOM 610 CG GLN A 37 2.068 -9.559 -8.218 1.00 0.50 C ATOM 611 CD GLN A 37 3.032 -9.875 -9.367 1.00 32.41 C ATOM 612 OE1 GLN A 37 2.666 -9.830 -10.544 1.00 3.13 O ATOM 613 NE2 GLN A 37 4.264 -10.236 -9.034 1.00 41.42 N ATOM 0 H GLN A 37 3.647 -8.766 -6.041 1.00 4.32 H new ATOM 0 HA GLN A 37 3.932 -7.418 -8.533 1.00 22.22 H new ATOM 0 HB2 GLN A 37 1.401 -7.962 -6.931 1.00 43.24 H new ATOM 0 HB3 GLN A 37 1.476 -7.526 -8.627 1.00 43.24 H new ATOM 0 HG2 GLN A 37 2.367 -10.133 -7.341 1.00 0.50 H new ATOM 0 HG3 GLN A 37 1.069 -9.896 -8.494 1.00 0.50 H new ATOM 0 HE21 GLN A 37 4.539 -10.264 -8.052 1.00 41.42 H new ATOM 0 HE22 GLN A 37 4.936 -10.485 -9.760 1.00 41.42 H new ATOM 622 N VAL A 38 3.053 -5.645 -5.878 1.00 70.03 N ATOM 623 CA VAL A 38 3.025 -4.287 -5.306 1.00 72.45 C ATOM 624 C VAL A 38 4.296 -3.523 -5.706 1.00 22.11 C ATOM 625 O VAL A 38 4.202 -2.473 -6.324 1.00 25.13 O ATOM 626 CB VAL A 38 2.914 -4.301 -3.733 1.00 54.31 C ATOM 627 CG1 VAL A 38 3.007 -2.874 -3.156 1.00 44.00 C ATOM 628 CG2 VAL A 38 1.626 -5.001 -3.260 1.00 33.11 C ATOM 0 H VAL A 38 2.976 -6.383 -5.179 1.00 70.03 H new ATOM 0 HA VAL A 38 2.139 -3.793 -5.704 1.00 72.45 H new ATOM 0 HB VAL A 38 3.759 -4.876 -3.354 1.00 54.31 H new ATOM 0 HG11 VAL A 38 2.927 -2.915 -2.070 1.00 44.00 H new ATOM 0 HG12 VAL A 38 3.964 -2.431 -3.433 1.00 44.00 H new ATOM 0 HG13 VAL A 38 2.196 -2.266 -3.557 1.00 44.00 H new ATOM 0 HG21 VAL A 38 1.585 -4.991 -2.171 1.00 33.11 H new ATOM 0 HG22 VAL A 38 0.759 -4.476 -3.661 1.00 33.11 H new ATOM 0 HG23 VAL A 38 1.621 -6.032 -3.613 1.00 33.11 H new ATOM 638 N ILE A 39 5.466 -4.112 -5.363 1.00 12.34 N ATOM 639 CA ILE A 39 6.805 -3.524 -5.616 1.00 21.24 C ATOM 640 C ILE A 39 6.942 -3.017 -7.065 1.00 21.52 C ATOM 641 O ILE A 39 7.327 -1.864 -7.306 1.00 2.14 O ATOM 642 CB ILE A 39 7.933 -4.584 -5.330 1.00 53.30 C ATOM 643 CG1 ILE A 39 7.894 -5.044 -3.840 1.00 51.15 C ATOM 644 CG2 ILE A 39 9.328 -4.037 -5.711 1.00 11.30 C ATOM 645 CD1 ILE A 39 8.791 -6.224 -3.508 1.00 5.11 C ATOM 0 H ILE A 39 5.508 -5.019 -4.898 1.00 12.34 H new ATOM 0 HA ILE A 39 6.916 -2.675 -4.942 1.00 21.24 H new ATOM 0 HB ILE A 39 7.742 -5.455 -5.957 1.00 53.30 H new ATOM 0 HG12 ILE A 39 8.178 -4.202 -3.208 1.00 51.15 H new ATOM 0 HG13 ILE A 39 6.867 -5.304 -3.583 1.00 51.15 H new ATOM 0 HG21 ILE A 39 10.085 -4.793 -5.501 1.00 11.30 H new ATOM 0 HG22 ILE A 39 9.345 -3.791 -6.773 1.00 11.30 H new ATOM 0 HG23 ILE A 39 9.539 -3.141 -5.128 1.00 11.30 H new ATOM 0 HD11 ILE A 39 8.694 -6.468 -2.450 1.00 5.11 H new ATOM 0 HD12 ILE A 39 8.496 -7.085 -4.108 1.00 5.11 H new ATOM 0 HD13 ILE A 39 9.827 -5.966 -3.728 1.00 5.11 H new ATOM 657 N LYS A 40 6.575 -3.897 -8.009 1.00 24.42 N ATOM 658 CA LYS A 40 6.679 -3.630 -9.447 1.00 42.23 C ATOM 659 C LYS A 40 5.643 -2.582 -9.905 1.00 71.30 C ATOM 660 O LYS A 40 5.918 -1.803 -10.821 1.00 52.22 O ATOM 661 CB LYS A 40 6.533 -4.959 -10.238 1.00 64.02 C ATOM 662 CG LYS A 40 7.625 -5.998 -9.890 1.00 13.14 C ATOM 663 CD LYS A 40 7.591 -7.258 -10.790 1.00 4.25 C ATOM 664 CE LYS A 40 8.738 -8.232 -10.458 1.00 73.55 C ATOM 665 NZ LYS A 40 8.800 -9.385 -11.395 1.00 22.32 N ATOM 0 H LYS A 40 6.196 -4.819 -7.792 1.00 24.42 H new ATOM 0 HA LYS A 40 7.663 -3.208 -9.653 1.00 42.23 H new ATOM 0 HB2 LYS A 40 5.553 -5.390 -10.034 1.00 64.02 H new ATOM 0 HB3 LYS A 40 6.571 -4.745 -11.306 1.00 64.02 H new ATOM 0 HG2 LYS A 40 8.604 -5.527 -9.976 1.00 13.14 H new ATOM 0 HG3 LYS A 40 7.508 -6.301 -8.850 1.00 13.14 H new ATOM 0 HD2 LYS A 40 6.635 -7.767 -10.666 1.00 4.25 H new ATOM 0 HD3 LYS A 40 7.660 -6.959 -11.836 1.00 4.25 H new ATOM 0 HE2 LYS A 40 9.686 -7.694 -10.487 1.00 73.55 H new ATOM 0 HE3 LYS A 40 8.612 -8.602 -9.441 1.00 73.55 H new ATOM 0 HZ1 LYS A 40 9.588 -10.008 -11.127 1.00 22.32 H new ATOM 0 HZ2 LYS A 40 7.907 -9.917 -11.350 1.00 22.32 H new ATOM 0 HZ3 LYS A 40 8.948 -9.037 -12.364 1.00 22.32 H new ATOM 679 N GLU A 41 4.462 -2.558 -9.245 1.00 54.40 N ATOM 680 CA GLU A 41 3.370 -1.618 -9.586 1.00 32.02 C ATOM 681 C GLU A 41 3.732 -0.180 -9.174 1.00 53.43 C ATOM 682 O GLU A 41 3.441 0.776 -9.903 1.00 73.54 O ATOM 683 CB GLU A 41 2.034 -2.047 -8.919 1.00 14.24 C ATOM 684 CG GLU A 41 0.780 -1.289 -9.422 1.00 21.20 C ATOM 685 CD GLU A 41 0.379 -1.633 -10.879 1.00 52.44 C ATOM 686 OE1 GLU A 41 1.153 -1.347 -11.821 1.00 11.10 O ATOM 687 OE2 GLU A 41 -0.725 -2.175 -11.096 1.00 61.12 O ATOM 0 H GLU A 41 4.241 -3.183 -8.469 1.00 54.40 H new ATOM 0 HA GLU A 41 3.238 -1.645 -10.668 1.00 32.02 H new ATOM 0 HB2 GLU A 41 1.887 -3.114 -9.087 1.00 14.24 H new ATOM 0 HB3 GLU A 41 2.120 -1.903 -7.842 1.00 14.24 H new ATOM 0 HG2 GLU A 41 -0.058 -1.515 -8.762 1.00 21.20 H new ATOM 0 HG3 GLU A 41 0.963 -0.217 -9.350 1.00 21.20 H new ATOM 694 N ILE A 42 4.365 -0.068 -7.993 1.00 22.50 N ATOM 695 CA ILE A 42 4.895 1.193 -7.447 1.00 31.24 C ATOM 696 C ILE A 42 5.856 1.853 -8.458 1.00 31.13 C ATOM 697 O ILE A 42 5.696 3.021 -8.816 1.00 61.15 O ATOM 698 CB ILE A 42 5.659 0.928 -6.090 1.00 45.53 C ATOM 699 CG1 ILE A 42 4.713 0.315 -5.009 1.00 4.22 C ATOM 700 CG2 ILE A 42 6.315 2.215 -5.554 1.00 33.22 C ATOM 701 CD1 ILE A 42 5.433 -0.191 -3.772 1.00 55.41 C ATOM 0 H ILE A 42 4.525 -0.867 -7.380 1.00 22.50 H new ATOM 0 HA ILE A 42 4.056 1.863 -7.259 1.00 31.24 H new ATOM 0 HB ILE A 42 6.445 0.204 -6.304 1.00 45.53 H new ATOM 0 HG12 ILE A 42 3.984 1.068 -4.710 1.00 4.22 H new ATOM 0 HG13 ILE A 42 4.155 -0.509 -5.454 1.00 4.22 H new ATOM 0 HG21 ILE A 42 6.832 1.998 -4.619 1.00 33.22 H new ATOM 0 HG22 ILE A 42 7.030 2.591 -6.286 1.00 33.22 H new ATOM 0 HG23 ILE A 42 5.547 2.968 -5.377 1.00 33.22 H new ATOM 0 HD11 ILE A 42 4.707 -0.601 -3.070 1.00 55.41 H new ATOM 0 HD12 ILE A 42 6.142 -0.969 -4.056 1.00 55.41 H new ATOM 0 HD13 ILE A 42 5.968 0.633 -3.300 1.00 55.41 H new ATOM 713 N GLN A 43 6.821 1.050 -8.937 1.00 45.35 N ATOM 714 CA GLN A 43 7.891 1.500 -9.847 1.00 33.13 C ATOM 715 C GLN A 43 7.333 1.911 -11.225 1.00 43.44 C ATOM 716 O GLN A 43 7.782 2.901 -11.809 1.00 65.03 O ATOM 717 CB GLN A 43 8.951 0.381 -9.991 1.00 4.34 C ATOM 718 CG GLN A 43 9.655 0.022 -8.668 1.00 62.42 C ATOM 719 CD GLN A 43 10.640 -1.141 -8.796 1.00 72.25 C ATOM 720 OE1 GLN A 43 11.243 -1.356 -9.847 1.00 41.24 O ATOM 721 NE2 GLN A 43 10.813 -1.911 -7.734 1.00 51.31 N ATOM 0 H GLN A 43 6.882 0.059 -8.701 1.00 45.35 H new ATOM 0 HA GLN A 43 8.359 2.386 -9.417 1.00 33.13 H new ATOM 0 HB2 GLN A 43 8.472 -0.512 -10.391 1.00 4.34 H new ATOM 0 HB3 GLN A 43 9.700 0.694 -10.718 1.00 4.34 H new ATOM 0 HG2 GLN A 43 10.187 0.899 -8.299 1.00 62.42 H new ATOM 0 HG3 GLN A 43 8.902 -0.231 -7.922 1.00 62.42 H new ATOM 0 HE21 GLN A 43 10.303 -1.714 -6.873 1.00 51.31 H new ATOM 0 HE22 GLN A 43 11.457 -2.701 -7.776 1.00 51.31 H new ATOM 730 N LYS A 44 6.342 1.141 -11.724 1.00 75.23 N ATOM 731 CA LYS A 44 5.677 1.416 -13.022 1.00 15.35 C ATOM 732 C LYS A 44 4.745 2.648 -12.952 1.00 2.44 C ATOM 733 O LYS A 44 4.517 3.314 -13.962 1.00 50.22 O ATOM 734 CB LYS A 44 4.897 0.161 -13.510 1.00 74.31 C ATOM 735 CG LYS A 44 5.805 -1.013 -13.961 1.00 42.13 C ATOM 736 CD LYS A 44 6.684 -0.657 -15.192 1.00 21.15 C ATOM 737 CE LYS A 44 7.610 -1.811 -15.629 1.00 14.45 C ATOM 738 NZ LYS A 44 6.858 -3.039 -16.002 1.00 51.23 N ATOM 0 H LYS A 44 5.980 0.316 -11.245 1.00 75.23 H new ATOM 0 HA LYS A 44 6.459 1.649 -13.745 1.00 15.35 H new ATOM 0 HB2 LYS A 44 4.247 -0.185 -12.706 1.00 74.31 H new ATOM 0 HB3 LYS A 44 4.252 0.447 -14.341 1.00 74.31 H new ATOM 0 HG2 LYS A 44 6.450 -1.306 -13.133 1.00 42.13 H new ATOM 0 HG3 LYS A 44 5.183 -1.875 -14.202 1.00 42.13 H new ATOM 0 HD2 LYS A 44 6.037 -0.383 -16.025 1.00 21.15 H new ATOM 0 HD3 LYS A 44 7.290 0.218 -14.957 1.00 21.15 H new ATOM 0 HE2 LYS A 44 8.212 -1.487 -16.478 1.00 14.45 H new ATOM 0 HE3 LYS A 44 8.300 -2.045 -14.819 1.00 14.45 H new ATOM 0 HZ1 LYS A 44 7.521 -3.760 -16.352 1.00 51.23 H new ATOM 0 HZ2 LYS A 44 6.356 -3.406 -15.168 1.00 51.23 H new ATOM 0 HZ3 LYS A 44 6.170 -2.811 -16.748 1.00 51.23 H new ATOM 752 N LYS A 45 4.191 2.927 -11.756 1.00 21.35 N ATOM 753 CA LYS A 45 3.366 4.137 -11.501 1.00 23.34 C ATOM 754 C LYS A 45 4.253 5.353 -11.135 1.00 21.31 C ATOM 755 O LYS A 45 3.762 6.491 -11.116 1.00 22.01 O ATOM 756 CB LYS A 45 2.305 3.865 -10.372 1.00 74.34 C ATOM 757 CG LYS A 45 0.868 3.474 -10.820 1.00 54.41 C ATOM 758 CD LYS A 45 0.730 2.082 -11.505 1.00 22.32 C ATOM 759 CE LYS A 45 0.939 2.104 -13.030 1.00 13.31 C ATOM 760 NZ LYS A 45 0.667 0.773 -13.633 1.00 61.41 N ATOM 0 H LYS A 45 4.299 2.326 -10.939 1.00 21.35 H new ATOM 0 HA LYS A 45 2.833 4.375 -12.422 1.00 23.34 H new ATOM 0 HB2 LYS A 45 2.688 3.068 -9.735 1.00 74.34 H new ATOM 0 HB3 LYS A 45 2.233 4.760 -9.754 1.00 74.34 H new ATOM 0 HG2 LYS A 45 0.216 3.495 -9.946 1.00 54.41 H new ATOM 0 HG3 LYS A 45 0.502 4.235 -11.509 1.00 54.41 H new ATOM 0 HD2 LYS A 45 1.453 1.398 -11.061 1.00 22.32 H new ATOM 0 HD3 LYS A 45 -0.261 1.681 -11.291 1.00 22.32 H new ATOM 0 HE2 LYS A 45 0.282 2.849 -13.478 1.00 13.31 H new ATOM 0 HE3 LYS A 45 1.962 2.405 -13.254 1.00 13.31 H new ATOM 0 HZ1 LYS A 45 1.282 0.634 -14.460 1.00 61.41 H new ATOM 0 HZ2 LYS A 45 0.856 0.029 -12.932 1.00 61.41 H new ATOM 0 HZ3 LYS A 45 -0.328 0.723 -13.930 1.00 61.41 H new ATOM 774 N GLY A 46 5.544 5.098 -10.829 1.00 22.12 N ATOM 775 CA GLY A 46 6.484 6.154 -10.434 1.00 73.13 C ATOM 776 C GLY A 46 6.128 6.769 -9.083 1.00 61.14 C ATOM 777 O GLY A 46 6.142 7.995 -8.912 1.00 15.31 O ATOM 0 H GLY A 46 5.954 4.164 -10.850 1.00 22.12 H new ATOM 0 HA2 GLY A 46 7.492 5.742 -10.389 1.00 73.13 H new ATOM 0 HA3 GLY A 46 6.492 6.934 -11.195 1.00 73.13 H new ATOM 781 N VAL A 47 5.802 5.889 -8.122 1.00 20.34 N ATOM 782 CA VAL A 47 5.313 6.269 -6.793 1.00 44.34 C ATOM 783 C VAL A 47 6.489 6.454 -5.828 1.00 44.13 C ATOM 784 O VAL A 47 7.497 5.746 -5.905 1.00 10.12 O ATOM 785 CB VAL A 47 4.308 5.190 -6.249 1.00 13.41 C ATOM 786 CG1 VAL A 47 3.867 5.461 -4.793 1.00 54.11 C ATOM 787 CG2 VAL A 47 3.090 5.078 -7.181 1.00 13.43 C ATOM 0 H VAL A 47 5.873 4.880 -8.252 1.00 20.34 H new ATOM 0 HA VAL A 47 4.782 7.218 -6.873 1.00 44.34 H new ATOM 0 HB VAL A 47 4.837 4.237 -6.237 1.00 13.41 H new ATOM 0 HG11 VAL A 47 3.174 4.683 -4.472 1.00 54.11 H new ATOM 0 HG12 VAL A 47 4.741 5.459 -4.142 1.00 54.11 H new ATOM 0 HG13 VAL A 47 3.375 6.432 -4.737 1.00 54.11 H new ATOM 0 HG21 VAL A 47 2.402 4.327 -6.792 1.00 13.43 H new ATOM 0 HG22 VAL A 47 2.583 6.041 -7.235 1.00 13.43 H new ATOM 0 HG23 VAL A 47 3.420 4.786 -8.178 1.00 13.43 H new ATOM 797 N GLN A 48 6.317 7.408 -4.913 1.00 54.43 N ATOM 798 CA GLN A 48 7.370 7.895 -4.015 1.00 11.23 C ATOM 799 C GLN A 48 7.058 7.504 -2.563 1.00 11.13 C ATOM 800 O GLN A 48 7.953 7.132 -1.797 1.00 11.43 O ATOM 801 CB GLN A 48 7.455 9.432 -4.175 1.00 71.32 C ATOM 802 CG GLN A 48 7.728 9.891 -5.624 1.00 34.03 C ATOM 803 CD GLN A 48 7.715 11.407 -5.800 1.00 2.14 C ATOM 804 OE1 GLN A 48 8.744 12.068 -5.665 1.00 44.05 O ATOM 805 NE2 GLN A 48 6.548 11.971 -6.094 1.00 64.34 N ATOM 0 H GLN A 48 5.422 7.876 -4.770 1.00 54.43 H new ATOM 0 HA GLN A 48 8.329 7.445 -4.270 1.00 11.23 H new ATOM 0 HB2 GLN A 48 6.520 9.876 -3.832 1.00 71.32 H new ATOM 0 HB3 GLN A 48 8.245 9.813 -3.528 1.00 71.32 H new ATOM 0 HG2 GLN A 48 8.697 9.506 -5.941 1.00 34.03 H new ATOM 0 HG3 GLN A 48 6.979 9.451 -6.282 1.00 34.03 H new ATOM 0 HE21 GLN A 48 5.714 11.393 -6.199 1.00 64.34 H new ATOM 0 HE22 GLN A 48 6.486 12.982 -6.215 1.00 64.34 H new ATOM 814 N LYS A 49 5.770 7.618 -2.184 1.00 64.13 N ATOM 815 CA LYS A 49 5.274 7.291 -0.834 1.00 54.13 C ATOM 816 C LYS A 49 4.174 6.222 -0.941 1.00 1.31 C ATOM 817 O LYS A 49 3.272 6.345 -1.771 1.00 33.45 O ATOM 818 CB LYS A 49 4.738 8.582 -0.159 1.00 0.23 C ATOM 819 CG LYS A 49 5.831 9.660 0.049 1.00 41.54 C ATOM 820 CD LYS A 49 5.293 11.005 0.585 1.00 1.25 C ATOM 821 CE LYS A 49 4.303 11.676 -0.380 1.00 41.40 C ATOM 822 NZ LYS A 49 3.946 13.052 0.057 1.00 31.33 N ATOM 0 H LYS A 49 5.037 7.943 -2.814 1.00 64.13 H new ATOM 0 HA LYS A 49 6.082 6.892 -0.221 1.00 54.13 H new ATOM 0 HB2 LYS A 49 3.937 8.999 -0.770 1.00 0.23 H new ATOM 0 HB3 LYS A 49 4.301 8.325 0.806 1.00 0.23 H new ATOM 0 HG2 LYS A 49 6.578 9.276 0.744 1.00 41.54 H new ATOM 0 HG3 LYS A 49 6.339 9.836 -0.899 1.00 41.54 H new ATOM 0 HD2 LYS A 49 4.803 10.839 1.544 1.00 1.25 H new ATOM 0 HD3 LYS A 49 6.130 11.679 0.767 1.00 1.25 H new ATOM 0 HE2 LYS A 49 4.739 11.714 -1.378 1.00 41.40 H new ATOM 0 HE3 LYS A 49 3.399 11.072 -0.450 1.00 41.40 H new ATOM 0 HZ1 LYS A 49 3.277 13.469 -0.621 1.00 31.33 H new ATOM 0 HZ2 LYS A 49 3.506 13.014 0.999 1.00 31.33 H new ATOM 0 HZ3 LYS A 49 4.805 13.637 0.099 1.00 31.33 H new ATOM 836 N VAL A 50 4.274 5.169 -0.108 1.00 43.03 N ATOM 837 CA VAL A 50 3.382 3.994 -0.138 1.00 14.23 C ATOM 838 C VAL A 50 2.860 3.710 1.282 1.00 12.15 C ATOM 839 O VAL A 50 3.648 3.637 2.229 1.00 51.32 O ATOM 840 CB VAL A 50 4.148 2.727 -0.695 1.00 4.31 C ATOM 841 CG1 VAL A 50 3.275 1.450 -0.652 1.00 51.14 C ATOM 842 CG2 VAL A 50 4.664 2.989 -2.125 1.00 63.32 C ATOM 0 H VAL A 50 4.989 5.110 0.617 1.00 43.03 H new ATOM 0 HA VAL A 50 2.542 4.206 -0.800 1.00 14.23 H new ATOM 0 HB VAL A 50 5.002 2.553 -0.041 1.00 4.31 H new ATOM 0 HG11 VAL A 50 3.844 0.607 -1.044 1.00 51.14 H new ATOM 0 HG12 VAL A 50 2.983 1.243 0.378 1.00 51.14 H new ATOM 0 HG13 VAL A 50 2.382 1.599 -1.259 1.00 51.14 H new ATOM 0 HG21 VAL A 50 5.188 2.106 -2.490 1.00 63.32 H new ATOM 0 HG22 VAL A 50 3.822 3.209 -2.781 1.00 63.32 H new ATOM 0 HG23 VAL A 50 5.347 3.838 -2.115 1.00 63.32 H new ATOM 852 N VAL A 51 1.533 3.559 1.413 1.00 61.43 N ATOM 853 CA VAL A 51 0.880 3.171 2.670 1.00 23.13 C ATOM 854 C VAL A 51 0.726 1.644 2.729 1.00 62.34 C ATOM 855 O VAL A 51 0.311 1.027 1.749 1.00 44.25 O ATOM 856 CB VAL A 51 -0.531 3.851 2.822 1.00 10.44 C ATOM 857 CG1 VAL A 51 -1.242 3.397 4.117 1.00 22.33 C ATOM 858 CG2 VAL A 51 -0.396 5.381 2.786 1.00 11.31 C ATOM 0 H VAL A 51 0.880 3.704 0.643 1.00 61.43 H new ATOM 0 HA VAL A 51 1.510 3.511 3.492 1.00 23.13 H new ATOM 0 HB VAL A 51 -1.146 3.534 1.980 1.00 10.44 H new ATOM 0 HG11 VAL A 51 -2.213 3.886 4.189 1.00 22.33 H new ATOM 0 HG12 VAL A 51 -1.381 2.316 4.096 1.00 22.33 H new ATOM 0 HG13 VAL A 51 -0.634 3.668 4.980 1.00 22.33 H new ATOM 0 HG21 VAL A 51 -1.381 5.836 2.892 1.00 11.31 H new ATOM 0 HG22 VAL A 51 0.245 5.709 3.604 1.00 11.31 H new ATOM 0 HG23 VAL A 51 0.043 5.685 1.836 1.00 11.31 H new ATOM 868 N LEU A 52 1.074 1.052 3.877 1.00 72.12 N ATOM 869 CA LEU A 52 0.949 -0.389 4.123 1.00 0.14 C ATOM 870 C LEU A 52 -0.081 -0.623 5.253 1.00 11.13 C ATOM 871 O LEU A 52 0.214 -0.372 6.429 1.00 33.33 O ATOM 872 CB LEU A 52 2.346 -0.963 4.507 1.00 13.22 C ATOM 873 CG LEU A 52 3.509 -0.744 3.476 1.00 4.12 C ATOM 874 CD1 LEU A 52 4.840 -1.318 3.989 1.00 33.12 C ATOM 875 CD2 LEU A 52 3.180 -1.339 2.103 1.00 61.35 C ATOM 0 H LEU A 52 1.455 1.566 4.671 1.00 72.12 H new ATOM 0 HA LEU A 52 0.599 -0.901 3.227 1.00 0.14 H new ATOM 0 HB2 LEU A 52 2.646 -0.520 5.457 1.00 13.22 H new ATOM 0 HB3 LEU A 52 2.238 -2.035 4.675 1.00 13.22 H new ATOM 0 HG LEU A 52 3.617 0.335 3.363 1.00 4.12 H new ATOM 0 HD11 LEU A 52 5.620 -1.147 3.247 1.00 33.12 H new ATOM 0 HD12 LEU A 52 5.113 -0.826 4.923 1.00 33.12 H new ATOM 0 HD13 LEU A 52 4.732 -2.389 4.161 1.00 33.12 H new ATOM 0 HD21 LEU A 52 4.013 -1.164 1.422 1.00 61.35 H new ATOM 0 HD22 LEU A 52 3.011 -2.411 2.202 1.00 61.35 H new ATOM 0 HD23 LEU A 52 2.282 -0.866 1.707 1.00 61.35 H new ATOM 887 N VAL A 53 -1.292 -1.075 4.888 1.00 24.35 N ATOM 888 CA VAL A 53 -2.393 -1.327 5.844 1.00 15.35 C ATOM 889 C VAL A 53 -2.229 -2.717 6.496 1.00 41.32 C ATOM 890 O VAL A 53 -2.631 -3.741 5.917 1.00 13.21 O ATOM 891 CB VAL A 53 -3.818 -1.219 5.159 1.00 52.35 C ATOM 892 CG1 VAL A 53 -4.968 -1.345 6.200 1.00 10.00 C ATOM 893 CG2 VAL A 53 -3.956 0.087 4.344 1.00 20.31 C ATOM 0 H VAL A 53 -1.540 -1.278 3.920 1.00 24.35 H new ATOM 0 HA VAL A 53 -2.336 -0.554 6.610 1.00 15.35 H new ATOM 0 HB VAL A 53 -3.903 -2.057 4.468 1.00 52.35 H new ATOM 0 HG11 VAL A 53 -5.929 -1.266 5.692 1.00 10.00 H new ATOM 0 HG12 VAL A 53 -4.901 -2.311 6.701 1.00 10.00 H new ATOM 0 HG13 VAL A 53 -4.881 -0.547 6.937 1.00 10.00 H new ATOM 0 HG21 VAL A 53 -4.945 0.128 3.888 1.00 20.31 H new ATOM 0 HG22 VAL A 53 -3.825 0.944 5.005 1.00 20.31 H new ATOM 0 HG23 VAL A 53 -3.195 0.111 3.564 1.00 20.31 H new ATOM 903 N GLY A 54 -1.604 -2.721 7.691 1.00 60.31 N ATOM 904 CA GLY A 54 -1.463 -3.916 8.527 1.00 70.20 C ATOM 905 C GLY A 54 -0.734 -5.072 7.843 1.00 4.43 C ATOM 906 O GLY A 54 -1.302 -6.159 7.674 1.00 32.14 O ATOM 0 H GLY A 54 -1.183 -1.887 8.100 1.00 60.31 H new ATOM 0 HA2 GLY A 54 -0.925 -3.649 9.437 1.00 70.20 H new ATOM 0 HA3 GLY A 54 -2.454 -4.254 8.830 1.00 70.20 H new ATOM 910 N VAL A 55 0.526 -4.828 7.440 1.00 1.30 N ATOM 911 CA VAL A 55 1.385 -5.841 6.786 1.00 31.51 C ATOM 912 C VAL A 55 2.447 -6.352 7.778 1.00 61.43 C ATOM 913 O VAL A 55 2.703 -5.716 8.808 1.00 71.24 O ATOM 914 CB VAL A 55 2.098 -5.254 5.500 1.00 51.42 C ATOM 915 CG1 VAL A 55 1.067 -4.668 4.494 1.00 23.30 C ATOM 916 CG2 VAL A 55 3.180 -4.208 5.884 1.00 32.01 C ATOM 0 H VAL A 55 0.981 -3.923 7.557 1.00 1.30 H new ATOM 0 HA VAL A 55 0.746 -6.667 6.474 1.00 31.51 H new ATOM 0 HB VAL A 55 2.604 -6.079 4.999 1.00 51.42 H new ATOM 0 HG11 VAL A 55 1.592 -4.274 3.624 1.00 23.30 H new ATOM 0 HG12 VAL A 55 0.380 -5.453 4.179 1.00 23.30 H new ATOM 0 HG13 VAL A 55 0.506 -3.866 4.974 1.00 23.30 H new ATOM 0 HG21 VAL A 55 3.651 -3.823 4.980 1.00 32.01 H new ATOM 0 HG22 VAL A 55 2.715 -3.386 6.428 1.00 32.01 H new ATOM 0 HG23 VAL A 55 3.934 -4.679 6.514 1.00 32.01 H new ATOM 926 N SER A 56 3.068 -7.489 7.452 1.00 24.33 N ATOM 927 CA SER A 56 4.206 -8.020 8.214 1.00 22.24 C ATOM 928 C SER A 56 5.442 -7.136 7.978 1.00 74.31 C ATOM 929 O SER A 56 5.607 -6.588 6.882 1.00 12.23 O ATOM 930 CB SER A 56 4.494 -9.470 7.782 1.00 12.42 C ATOM 931 OG SER A 56 3.361 -10.288 7.986 1.00 61.10 O ATOM 0 H SER A 56 2.799 -8.067 6.656 1.00 24.33 H new ATOM 0 HA SER A 56 3.965 -8.014 9.277 1.00 22.24 H new ATOM 0 HB2 SER A 56 4.779 -9.491 6.730 1.00 12.42 H new ATOM 0 HB3 SER A 56 5.338 -9.862 8.349 1.00 12.42 H new ATOM 0 HG SER A 56 3.564 -11.204 7.704 1.00 61.10 H new ATOM 937 N GLU A 57 6.293 -7.022 9.012 1.00 11.32 N ATOM 938 CA GLU A 57 7.563 -6.247 8.969 1.00 23.42 C ATOM 939 C GLU A 57 8.498 -6.768 7.855 1.00 71.24 C ATOM 940 O GLU A 57 9.238 -5.999 7.261 1.00 42.22 O ATOM 941 CB GLU A 57 8.292 -6.267 10.364 1.00 25.04 C ATOM 942 CG GLU A 57 8.876 -7.628 10.824 1.00 74.14 C ATOM 943 CD GLU A 57 7.819 -8.729 11.000 1.00 22.51 C ATOM 944 OE1 GLU A 57 7.132 -8.745 12.041 1.00 62.23 O ATOM 945 OE2 GLU A 57 7.643 -9.566 10.081 1.00 22.15 O ATOM 0 H GLU A 57 6.124 -7.467 9.914 1.00 11.32 H new ATOM 0 HA GLU A 57 7.307 -5.213 8.739 1.00 23.42 H new ATOM 0 HB2 GLU A 57 9.104 -5.541 10.334 1.00 25.04 H new ATOM 0 HB3 GLU A 57 7.587 -5.926 11.122 1.00 25.04 H new ATOM 0 HG2 GLU A 57 9.615 -7.960 10.095 1.00 74.14 H new ATOM 0 HG3 GLU A 57 9.401 -7.487 11.769 1.00 74.14 H new ATOM 952 N LYS A 58 8.413 -8.082 7.570 1.00 14.21 N ATOM 953 CA LYS A 58 9.205 -8.733 6.507 1.00 22.34 C ATOM 954 C LYS A 58 8.785 -8.217 5.105 1.00 0.54 C ATOM 955 O LYS A 58 9.614 -8.095 4.212 1.00 24.13 O ATOM 956 CB LYS A 58 9.050 -10.273 6.608 1.00 44.11 C ATOM 957 CG LYS A 58 7.615 -10.790 6.358 1.00 14.04 C ATOM 958 CD LYS A 58 7.428 -12.285 6.712 1.00 31.22 C ATOM 959 CE LYS A 58 7.574 -12.572 8.220 1.00 33.24 C ATOM 960 NZ LYS A 58 7.394 -14.017 8.528 1.00 34.52 N ATOM 0 H LYS A 58 7.795 -8.721 8.069 1.00 14.21 H new ATOM 0 HA LYS A 58 10.256 -8.479 6.644 1.00 22.34 H new ATOM 0 HB2 LYS A 58 9.722 -10.741 5.889 1.00 44.11 H new ATOM 0 HB3 LYS A 58 9.371 -10.594 7.599 1.00 44.11 H new ATOM 0 HG2 LYS A 58 6.915 -10.195 6.945 1.00 14.04 H new ATOM 0 HG3 LYS A 58 7.360 -10.638 5.309 1.00 14.04 H new ATOM 0 HD2 LYS A 58 6.442 -12.610 6.380 1.00 31.22 H new ATOM 0 HD3 LYS A 58 8.160 -12.877 6.163 1.00 31.22 H new ATOM 0 HE2 LYS A 58 8.558 -12.248 8.558 1.00 33.24 H new ATOM 0 HE3 LYS A 58 6.839 -11.988 8.774 1.00 33.24 H new ATOM 0 HZ1 LYS A 58 7.499 -14.170 9.551 1.00 34.52 H new ATOM 0 HZ2 LYS A 58 6.445 -14.320 8.229 1.00 34.52 H new ATOM 0 HZ3 LYS A 58 8.111 -14.572 8.019 1.00 34.52 H new ATOM 974 N LEU A 59 7.481 -7.897 4.946 1.00 13.52 N ATOM 975 CA LEU A 59 6.926 -7.337 3.694 1.00 64.01 C ATOM 976 C LEU A 59 7.144 -5.815 3.650 1.00 33.20 C ATOM 977 O LEU A 59 7.309 -5.242 2.581 1.00 22.44 O ATOM 978 CB LEU A 59 5.410 -7.678 3.559 1.00 20.12 C ATOM 979 CG LEU A 59 5.054 -9.200 3.468 1.00 61.34 C ATOM 980 CD1 LEU A 59 3.537 -9.408 3.276 1.00 64.43 C ATOM 981 CD2 LEU A 59 5.850 -9.902 2.344 1.00 2.33 C ATOM 0 H LEU A 59 6.785 -8.020 5.681 1.00 13.52 H new ATOM 0 HA LEU A 59 7.450 -7.789 2.852 1.00 64.01 H new ATOM 0 HB2 LEU A 59 4.885 -7.253 4.414 1.00 20.12 H new ATOM 0 HB3 LEU A 59 5.024 -7.181 2.669 1.00 20.12 H new ATOM 0 HG LEU A 59 5.341 -9.657 4.415 1.00 61.34 H new ATOM 0 HD11 LEU A 59 3.321 -10.475 3.216 1.00 64.43 H new ATOM 0 HD12 LEU A 59 3.001 -8.976 4.121 1.00 64.43 H new ATOM 0 HD13 LEU A 59 3.217 -8.921 2.355 1.00 64.43 H new ATOM 0 HD21 LEU A 59 5.578 -10.957 2.310 1.00 2.33 H new ATOM 0 HD22 LEU A 59 5.616 -9.436 1.387 1.00 2.33 H new ATOM 0 HD23 LEU A 59 6.918 -9.809 2.542 1.00 2.33 H new ATOM 993 N LEU A 60 7.159 -5.179 4.833 1.00 72.55 N ATOM 994 CA LEU A 60 7.377 -3.725 4.967 1.00 73.50 C ATOM 995 C LEU A 60 8.772 -3.345 4.452 1.00 10.42 C ATOM 996 O LEU A 60 8.917 -2.491 3.568 1.00 73.03 O ATOM 997 CB LEU A 60 7.170 -3.309 6.454 1.00 34.42 C ATOM 998 CG LEU A 60 7.350 -1.782 6.818 1.00 32.13 C ATOM 999 CD1 LEU A 60 6.457 -1.390 8.005 1.00 31.31 C ATOM 1000 CD2 LEU A 60 8.828 -1.400 7.127 1.00 24.52 C ATOM 0 H LEU A 60 7.021 -5.656 5.724 1.00 72.55 H new ATOM 0 HA LEU A 60 6.653 -3.183 4.358 1.00 73.50 H new ATOM 0 HB2 LEU A 60 6.165 -3.609 6.750 1.00 34.42 H new ATOM 0 HB3 LEU A 60 7.867 -3.884 7.064 1.00 34.42 H new ATOM 0 HG LEU A 60 7.046 -1.225 5.932 1.00 32.13 H new ATOM 0 HD11 LEU A 60 6.600 -0.334 8.235 1.00 31.31 H new ATOM 0 HD12 LEU A 60 5.413 -1.567 7.749 1.00 31.31 H new ATOM 0 HD13 LEU A 60 6.724 -1.990 8.875 1.00 31.31 H new ATOM 0 HD21 LEU A 60 8.886 -0.339 7.370 1.00 24.52 H new ATOM 0 HD22 LEU A 60 9.186 -1.986 7.973 1.00 24.52 H new ATOM 0 HD23 LEU A 60 9.447 -1.607 6.254 1.00 24.52 H new ATOM 1012 N GLN A 61 9.781 -4.020 5.023 1.00 64.34 N ATOM 1013 CA GLN A 61 11.200 -3.810 4.701 1.00 63.12 C ATOM 1014 C GLN A 61 11.498 -4.222 3.247 1.00 51.24 C ATOM 1015 O GLN A 61 12.328 -3.609 2.589 1.00 0.33 O ATOM 1016 CB GLN A 61 12.069 -4.614 5.706 1.00 10.32 C ATOM 1017 CG GLN A 61 11.819 -4.241 7.189 1.00 32.44 C ATOM 1018 CD GLN A 61 12.414 -5.239 8.192 1.00 51.40 C ATOM 1019 OE1 GLN A 61 13.436 -5.866 7.935 1.00 13.42 O ATOM 1020 NE2 GLN A 61 11.773 -5.402 9.342 1.00 13.10 N ATOM 0 H GLN A 61 9.631 -4.738 5.732 1.00 64.34 H new ATOM 0 HA GLN A 61 11.442 -2.751 4.790 1.00 63.12 H new ATOM 0 HB2 GLN A 61 11.873 -5.678 5.571 1.00 10.32 H new ATOM 0 HB3 GLN A 61 13.121 -4.451 5.473 1.00 10.32 H new ATOM 0 HG2 GLN A 61 12.240 -3.254 7.381 1.00 32.44 H new ATOM 0 HG3 GLN A 61 10.745 -4.168 7.359 1.00 32.44 H new ATOM 0 HE21 GLN A 61 10.925 -4.869 9.533 1.00 13.10 H new ATOM 0 HE22 GLN A 61 12.129 -6.060 10.035 1.00 13.10 H new ATOM 1029 N LYS A 62 10.783 -5.253 2.756 1.00 23.02 N ATOM 1030 CA LYS A 62 10.967 -5.792 1.395 1.00 21.14 C ATOM 1031 C LYS A 62 10.497 -4.787 0.330 1.00 53.42 C ATOM 1032 O LYS A 62 11.271 -4.416 -0.550 1.00 51.41 O ATOM 1033 CB LYS A 62 10.218 -7.139 1.263 1.00 22.41 C ATOM 1034 CG LYS A 62 10.413 -7.874 -0.081 1.00 11.14 C ATOM 1035 CD LYS A 62 9.914 -9.332 -0.011 1.00 2.25 C ATOM 1036 CE LYS A 62 10.148 -10.113 -1.308 1.00 33.03 C ATOM 1037 NZ LYS A 62 9.897 -11.563 -1.120 1.00 32.32 N ATOM 0 H LYS A 62 10.062 -5.735 3.292 1.00 23.02 H new ATOM 0 HA LYS A 62 12.030 -5.964 1.227 1.00 21.14 H new ATOM 0 HB2 LYS A 62 10.543 -7.797 2.069 1.00 22.41 H new ATOM 0 HB3 LYS A 62 9.153 -6.959 1.409 1.00 22.41 H new ATOM 0 HG2 LYS A 62 9.877 -7.343 -0.867 1.00 11.14 H new ATOM 0 HG3 LYS A 62 11.469 -7.863 -0.352 1.00 11.14 H new ATOM 0 HD2 LYS A 62 10.418 -9.843 0.809 1.00 2.25 H new ATOM 0 HD3 LYS A 62 8.849 -9.334 0.219 1.00 2.25 H new ATOM 0 HE2 LYS A 62 9.494 -9.727 -2.090 1.00 33.03 H new ATOM 0 HE3 LYS A 62 11.173 -9.961 -1.646 1.00 33.03 H new ATOM 0 HZ1 LYS A 62 10.551 -12.109 -1.717 1.00 32.32 H new ATOM 0 HZ2 LYS A 62 10.047 -11.815 -0.122 1.00 32.32 H new ATOM 0 HZ3 LYS A 62 8.917 -11.783 -1.389 1.00 32.32 H new ATOM 1051 N ILE A 63 9.236 -4.325 0.454 1.00 73.31 N ATOM 1052 CA ILE A 63 8.643 -3.302 -0.444 1.00 13.44 C ATOM 1053 C ILE A 63 9.505 -2.007 -0.440 1.00 71.30 C ATOM 1054 O ILE A 63 9.718 -1.380 -1.486 1.00 34.55 O ATOM 1055 CB ILE A 63 7.110 -3.018 -0.053 1.00 61.03 C ATOM 1056 CG1 ILE A 63 6.129 -4.056 -0.724 1.00 12.30 C ATOM 1057 CG2 ILE A 63 6.661 -1.573 -0.403 1.00 24.34 C ATOM 1058 CD1 ILE A 63 6.375 -5.523 -0.401 1.00 71.10 C ATOM 0 H ILE A 63 8.596 -4.649 1.179 1.00 73.31 H new ATOM 0 HA ILE A 63 8.643 -3.686 -1.464 1.00 13.44 H new ATOM 0 HB ILE A 63 7.058 -3.134 1.030 1.00 61.03 H new ATOM 0 HG12 ILE A 63 5.111 -3.806 -0.426 1.00 12.30 H new ATOM 0 HG13 ILE A 63 6.185 -3.930 -1.805 1.00 12.30 H new ATOM 0 HG21 ILE A 63 5.618 -1.437 -0.117 1.00 24.34 H new ATOM 0 HG22 ILE A 63 7.281 -0.858 0.138 1.00 24.34 H new ATOM 0 HG23 ILE A 63 6.768 -1.408 -1.475 1.00 24.34 H new ATOM 0 HD11 ILE A 63 5.639 -6.138 -0.919 1.00 71.10 H new ATOM 0 HD12 ILE A 63 7.377 -5.804 -0.726 1.00 71.10 H new ATOM 0 HD13 ILE A 63 6.286 -5.679 0.674 1.00 71.10 H new ATOM 1070 N LYS A 64 10.052 -1.676 0.745 1.00 24.23 N ATOM 1071 CA LYS A 64 10.899 -0.489 0.961 1.00 13.05 C ATOM 1072 C LYS A 64 12.237 -0.618 0.182 1.00 63.22 C ATOM 1073 O LYS A 64 12.625 0.298 -0.543 1.00 24.02 O ATOM 1074 CB LYS A 64 11.130 -0.317 2.497 1.00 60.11 C ATOM 1075 CG LYS A 64 11.639 1.071 2.974 1.00 64.33 C ATOM 1076 CD LYS A 64 13.141 1.324 2.721 1.00 0.52 C ATOM 1077 CE LYS A 64 13.577 2.726 3.161 1.00 43.21 C ATOM 1078 NZ LYS A 64 12.805 3.789 2.469 1.00 10.34 N ATOM 0 H LYS A 64 9.916 -2.232 1.589 1.00 24.23 H new ATOM 0 HA LYS A 64 10.402 0.402 0.578 1.00 13.05 H new ATOM 0 HB2 LYS A 64 10.191 -0.529 3.008 1.00 60.11 H new ATOM 0 HB3 LYS A 64 11.847 -1.072 2.820 1.00 60.11 H new ATOM 0 HG2 LYS A 64 11.063 1.848 2.471 1.00 64.33 H new ATOM 0 HG3 LYS A 64 11.442 1.169 4.042 1.00 64.33 H new ATOM 0 HD2 LYS A 64 13.728 0.578 3.257 1.00 0.52 H new ATOM 0 HD3 LYS A 64 13.355 1.196 1.660 1.00 0.52 H new ATOM 0 HE2 LYS A 64 13.446 2.825 4.239 1.00 43.21 H new ATOM 0 HE3 LYS A 64 14.639 2.857 2.956 1.00 43.21 H new ATOM 0 HZ1 LYS A 64 13.462 4.463 2.027 1.00 10.34 H new ATOM 0 HZ2 LYS A 64 12.204 3.360 1.736 1.00 10.34 H new ATOM 0 HZ3 LYS A 64 12.208 4.289 3.158 1.00 10.34 H new ATOM 1092 N GLN A 65 12.916 -1.772 0.337 1.00 55.12 N ATOM 1093 CA GLN A 65 14.282 -1.994 -0.205 1.00 44.44 C ATOM 1094 C GLN A 65 14.272 -2.239 -1.723 1.00 24.45 C ATOM 1095 O GLN A 65 15.221 -1.866 -2.417 1.00 55.13 O ATOM 1096 CB GLN A 65 14.971 -3.189 0.521 1.00 5.11 C ATOM 1097 CG GLN A 65 15.333 -2.924 1.995 1.00 3.33 C ATOM 1098 CD GLN A 65 15.864 -4.170 2.704 1.00 22.04 C ATOM 1099 OE1 GLN A 65 17.064 -4.446 2.697 1.00 71.23 O ATOM 1100 NE2 GLN A 65 14.974 -4.941 3.315 1.00 10.42 N ATOM 0 H GLN A 65 12.540 -2.577 0.838 1.00 55.12 H new ATOM 0 HA GLN A 65 14.850 -1.082 -0.021 1.00 44.44 H new ATOM 0 HB2 GLN A 65 14.311 -4.055 0.473 1.00 5.11 H new ATOM 0 HB3 GLN A 65 15.880 -3.451 -0.021 1.00 5.11 H new ATOM 0 HG2 GLN A 65 16.083 -2.135 2.045 1.00 3.33 H new ATOM 0 HG3 GLN A 65 14.451 -2.559 2.522 1.00 3.33 H new ATOM 0 HE21 GLN A 65 13.986 -4.687 3.304 1.00 10.42 H new ATOM 0 HE22 GLN A 65 15.277 -5.788 3.796 1.00 10.42 H new ATOM 1109 N GLU A 66 13.203 -2.873 -2.222 1.00 1.33 N ATOM 1110 CA GLU A 66 13.094 -3.257 -3.639 1.00 13.41 C ATOM 1111 C GLU A 66 12.570 -2.082 -4.502 1.00 72.52 C ATOM 1112 O GLU A 66 13.094 -1.834 -5.593 1.00 30.04 O ATOM 1113 CB GLU A 66 12.175 -4.493 -3.779 1.00 51.04 C ATOM 1114 CG GLU A 66 12.633 -5.761 -3.026 1.00 50.45 C ATOM 1115 CD GLU A 66 13.940 -6.369 -3.558 1.00 13.13 C ATOM 1116 OE1 GLU A 66 13.910 -7.020 -4.625 1.00 73.21 O ATOM 1117 OE2 GLU A 66 15.001 -6.208 -2.914 1.00 35.22 O ATOM 0 H GLU A 66 12.393 -3.134 -1.660 1.00 1.33 H new ATOM 0 HA GLU A 66 14.089 -3.512 -4.004 1.00 13.41 H new ATOM 0 HB2 GLU A 66 11.180 -4.224 -3.426 1.00 51.04 H new ATOM 0 HB3 GLU A 66 12.083 -4.736 -4.838 1.00 51.04 H new ATOM 0 HG2 GLU A 66 12.761 -5.518 -1.971 1.00 50.45 H new ATOM 0 HG3 GLU A 66 11.845 -6.511 -3.087 1.00 50.45 H new ATOM 1124 N ALA A 67 11.531 -1.363 -4.017 1.00 50.31 N ATOM 1125 CA ALA A 67 10.927 -0.227 -4.758 1.00 54.32 C ATOM 1126 C ALA A 67 11.672 1.103 -4.492 1.00 20.24 C ATOM 1127 O ALA A 67 11.601 2.025 -5.315 1.00 64.12 O ATOM 1128 CB ALA A 67 9.434 -0.097 -4.414 1.00 42.40 C ATOM 0 H ALA A 67 11.092 -1.548 -3.115 1.00 50.31 H new ATOM 0 HA ALA A 67 11.025 -0.440 -5.822 1.00 54.32 H new ATOM 0 HB1 ALA A 67 9.005 0.740 -4.965 1.00 42.40 H new ATOM 0 HB2 ALA A 67 8.916 -1.016 -4.689 1.00 42.40 H new ATOM 0 HB3 ALA A 67 9.321 0.077 -3.344 1.00 42.40 H new ATOM 1134 N ASN A 68 12.365 1.172 -3.329 1.00 50.21 N ATOM 1135 CA ASN A 68 13.119 2.366 -2.854 1.00 25.14 C ATOM 1136 C ASN A 68 12.147 3.542 -2.592 1.00 61.00 C ATOM 1137 O ASN A 68 12.201 4.589 -3.253 1.00 51.10 O ATOM 1138 CB ASN A 68 14.283 2.765 -3.824 1.00 20.14 C ATOM 1139 CG ASN A 68 15.257 3.804 -3.241 1.00 34.03 C ATOM 1140 OD1 ASN A 68 15.529 3.824 -2.036 1.00 12.10 O ATOM 1141 ND2 ASN A 68 15.793 4.679 -4.086 1.00 40.40 N ATOM 0 H ASN A 68 12.419 0.387 -2.680 1.00 50.21 H new ATOM 0 HA ASN A 68 13.599 2.105 -1.911 1.00 25.14 H new ATOM 0 HB2 ASN A 68 14.842 1.868 -4.092 1.00 20.14 H new ATOM 0 HB3 ASN A 68 13.855 3.161 -4.745 1.00 20.14 H new ATOM 0 HD21 ASN A 68 16.444 5.386 -3.744 1.00 40.40 H new ATOM 0 HD22 ASN A 68 15.554 4.643 -5.077 1.00 40.40 H new ATOM 1148 N VAL A 69 11.229 3.330 -1.624 1.00 72.25 N ATOM 1149 CA VAL A 69 10.119 4.270 -1.325 1.00 62.24 C ATOM 1150 C VAL A 69 9.944 4.503 0.192 1.00 44.11 C ATOM 1151 O VAL A 69 10.432 3.719 1.018 1.00 70.40 O ATOM 1152 CB VAL A 69 8.752 3.753 -1.930 1.00 73.32 C ATOM 1153 CG1 VAL A 69 8.768 3.804 -3.474 1.00 11.12 C ATOM 1154 CG2 VAL A 69 8.406 2.324 -1.420 1.00 72.21 C ATOM 0 H VAL A 69 11.234 2.504 -1.026 1.00 72.25 H new ATOM 0 HA VAL A 69 10.388 5.218 -1.791 1.00 62.24 H new ATOM 0 HB VAL A 69 7.967 4.425 -1.582 1.00 73.32 H new ATOM 0 HG11 VAL A 69 7.815 3.442 -3.860 1.00 11.12 H new ATOM 0 HG12 VAL A 69 8.926 4.831 -3.802 1.00 11.12 H new ATOM 0 HG13 VAL A 69 9.574 3.174 -3.851 1.00 11.12 H new ATOM 0 HG21 VAL A 69 7.461 2.001 -1.856 1.00 72.21 H new ATOM 0 HG22 VAL A 69 9.196 1.632 -1.713 1.00 72.21 H new ATOM 0 HG23 VAL A 69 8.319 2.337 -0.334 1.00 72.21 H new ATOM 1164 N GLN A 70 9.237 5.603 0.522 1.00 41.45 N ATOM 1165 CA GLN A 70 8.856 5.970 1.896 1.00 35.32 C ATOM 1166 C GLN A 70 7.636 5.149 2.339 1.00 21.24 C ATOM 1167 O GLN A 70 6.626 5.115 1.639 1.00 22.22 O ATOM 1168 CB GLN A 70 8.522 7.485 1.964 1.00 30.15 C ATOM 1169 CG GLN A 70 9.726 8.408 1.704 1.00 11.10 C ATOM 1170 CD GLN A 70 9.350 9.888 1.613 1.00 4.33 C ATOM 1171 OE1 GLN A 70 9.116 10.418 0.527 1.00 51.43 O ATOM 1172 NE2 GLN A 70 9.256 10.559 2.749 1.00 1.35 N ATOM 0 H GLN A 70 8.910 6.272 -0.175 1.00 41.45 H new ATOM 0 HA GLN A 70 9.690 5.757 2.564 1.00 35.32 H new ATOM 0 HB2 GLN A 70 7.744 7.707 1.234 1.00 30.15 H new ATOM 0 HB3 GLN A 70 8.111 7.711 2.948 1.00 30.15 H new ATOM 0 HG2 GLN A 70 10.455 8.275 2.503 1.00 11.10 H new ATOM 0 HG3 GLN A 70 10.211 8.107 0.776 1.00 11.10 H new ATOM 0 HE21 GLN A 70 9.456 10.094 3.634 1.00 1.35 H new ATOM 0 HE22 GLN A 70 8.984 11.542 2.740 1.00 1.35 H new ATOM 1181 N VAL A 71 7.744 4.499 3.504 1.00 2.30 N ATOM 1182 CA VAL A 71 6.681 3.650 4.068 1.00 41.13 C ATOM 1183 C VAL A 71 5.858 4.418 5.120 1.00 11.13 C ATOM 1184 O VAL A 71 6.419 5.063 6.012 1.00 62.14 O ATOM 1185 CB VAL A 71 7.293 2.344 4.709 1.00 34.41 C ATOM 1186 CG1 VAL A 71 6.243 1.560 5.536 1.00 11.02 C ATOM 1187 CG2 VAL A 71 7.922 1.450 3.610 1.00 41.12 C ATOM 0 H VAL A 71 8.578 4.546 4.089 1.00 2.30 H new ATOM 0 HA VAL A 71 6.016 3.364 3.253 1.00 41.13 H new ATOM 0 HB VAL A 71 8.078 2.648 5.401 1.00 34.41 H new ATOM 0 HG11 VAL A 71 6.705 0.668 5.960 1.00 11.02 H new ATOM 0 HG12 VAL A 71 5.868 2.192 6.341 1.00 11.02 H new ATOM 0 HG13 VAL A 71 5.416 1.267 4.890 1.00 11.02 H new ATOM 0 HG21 VAL A 71 8.340 0.553 4.066 1.00 41.12 H new ATOM 0 HG22 VAL A 71 7.156 1.167 2.889 1.00 41.12 H new ATOM 0 HG23 VAL A 71 8.713 2.001 3.101 1.00 41.12 H new ATOM 1197 N TYR A 72 4.524 4.353 4.993 1.00 63.44 N ATOM 1198 CA TYR A 72 3.578 4.816 6.015 1.00 53.33 C ATOM 1199 C TYR A 72 2.704 3.612 6.390 1.00 13.03 C ATOM 1200 O TYR A 72 1.752 3.296 5.682 1.00 34.44 O ATOM 1201 CB TYR A 72 2.710 5.987 5.457 1.00 52.14 C ATOM 1202 CG TYR A 72 3.511 7.246 5.072 1.00 1.13 C ATOM 1203 CD1 TYR A 72 4.208 7.332 3.856 1.00 32.20 C ATOM 1204 CD2 TYR A 72 3.579 8.352 5.932 1.00 21.13 C ATOM 1205 CE1 TYR A 72 4.939 8.459 3.527 1.00 3.20 C ATOM 1206 CE2 TYR A 72 4.311 9.477 5.597 1.00 2.55 C ATOM 1207 CZ TYR A 72 4.983 9.527 4.396 1.00 42.44 C ATOM 1208 OH TYR A 72 5.716 10.652 4.067 1.00 25.31 O ATOM 0 H TYR A 72 4.067 3.971 4.165 1.00 63.44 H new ATOM 0 HA TYR A 72 4.100 5.196 6.893 1.00 53.33 H new ATOM 0 HB2 TYR A 72 2.167 5.635 4.580 1.00 52.14 H new ATOM 0 HB3 TYR A 72 1.965 6.260 6.205 1.00 52.14 H new ATOM 0 HD1 TYR A 72 4.173 6.503 3.165 1.00 32.20 H new ATOM 0 HD2 TYR A 72 3.050 8.325 6.873 1.00 21.13 H new ATOM 0 HE1 TYR A 72 5.475 8.502 2.590 1.00 3.20 H new ATOM 0 HE2 TYR A 72 4.355 10.315 6.277 1.00 2.55 H new ATOM 0 HH TYR A 72 5.642 11.313 4.787 1.00 25.31 H new ATOM 1218 N ARG A 73 3.023 2.924 7.499 1.00 53.33 N ATOM 1219 CA ARG A 73 2.304 1.697 7.884 1.00 1.01 C ATOM 1220 C ARG A 73 1.153 2.074 8.821 1.00 64.12 C ATOM 1221 O ARG A 73 1.391 2.573 9.926 1.00 25.01 O ATOM 1222 CB ARG A 73 3.235 0.661 8.571 1.00 41.21 C ATOM 1223 CG ARG A 73 2.553 -0.715 8.833 1.00 41.31 C ATOM 1224 CD ARG A 73 3.341 -1.611 9.800 1.00 24.41 C ATOM 1225 NE ARG A 73 2.748 -2.954 9.974 1.00 3.41 N ATOM 1226 CZ ARG A 73 1.721 -3.260 10.786 1.00 74.14 C ATOM 1227 NH1 ARG A 73 1.122 -2.330 11.519 1.00 62.40 N ATOM 1228 NH2 ARG A 73 1.324 -4.520 10.897 1.00 25.51 N ATOM 0 H ARG A 73 3.768 3.194 8.141 1.00 53.33 H new ATOM 0 HA ARG A 73 1.921 1.227 6.979 1.00 1.01 H new ATOM 0 HB2 ARG A 73 4.116 0.507 7.948 1.00 41.21 H new ATOM 0 HB3 ARG A 73 3.583 1.071 9.519 1.00 41.21 H new ATOM 0 HG2 ARG A 73 1.555 -0.546 9.237 1.00 41.31 H new ATOM 0 HG3 ARG A 73 2.429 -1.237 7.884 1.00 41.31 H new ATOM 0 HD2 ARG A 73 4.362 -1.718 9.434 1.00 24.41 H new ATOM 0 HD3 ARG A 73 3.401 -1.120 10.771 1.00 24.41 H new ATOM 0 HE ARG A 73 3.154 -3.716 9.430 1.00 3.41 H new ATOM 0 HH11 ARG A 73 1.439 -1.362 11.473 1.00 62.40 H new ATOM 0 HH12 ARG A 73 0.344 -2.584 12.129 1.00 62.40 H new ATOM 0 HH21 ARG A 73 1.797 -5.252 10.368 1.00 25.51 H new ATOM 0 HH22 ARG A 73 0.545 -4.757 11.512 1.00 25.51 H new ATOM 1242 N VAL A 74 -0.088 1.848 8.369 1.00 11.31 N ATOM 1243 CA VAL A 74 -1.295 2.187 9.134 1.00 52.02 C ATOM 1244 C VAL A 74 -1.946 0.902 9.681 1.00 11.51 C ATOM 1245 O VAL A 74 -1.968 -0.138 9.009 1.00 12.50 O ATOM 1246 CB VAL A 74 -2.308 3.029 8.264 1.00 54.22 C ATOM 1247 CG1 VAL A 74 -1.612 4.288 7.675 1.00 50.13 C ATOM 1248 CG2 VAL A 74 -2.974 2.194 7.151 1.00 65.43 C ATOM 0 H VAL A 74 -0.283 1.425 7.462 1.00 11.31 H new ATOM 0 HA VAL A 74 -1.009 2.813 9.979 1.00 52.02 H new ATOM 0 HB VAL A 74 -3.107 3.351 8.932 1.00 54.22 H new ATOM 0 HG11 VAL A 74 -2.328 4.854 7.079 1.00 50.13 H new ATOM 0 HG12 VAL A 74 -1.242 4.913 8.488 1.00 50.13 H new ATOM 0 HG13 VAL A 74 -0.777 3.981 7.045 1.00 50.13 H new ATOM 0 HG21 VAL A 74 -3.660 2.824 6.585 1.00 65.43 H new ATOM 0 HG22 VAL A 74 -2.208 1.801 6.483 1.00 65.43 H new ATOM 0 HG23 VAL A 74 -3.525 1.367 7.597 1.00 65.43 H new ATOM 1258 N THR A 75 -2.411 0.974 10.932 1.00 34.04 N ATOM 1259 CA THR A 75 -3.101 -0.135 11.609 1.00 12.52 C ATOM 1260 C THR A 75 -4.627 -0.045 11.428 1.00 13.11 C ATOM 1261 O THR A 75 -5.340 -1.027 11.663 1.00 45.14 O ATOM 1262 CB THR A 75 -2.749 -0.143 13.131 1.00 1.42 C ATOM 1263 OG1 THR A 75 -2.967 1.166 13.682 1.00 24.23 O ATOM 1264 CG2 THR A 75 -1.292 -0.571 13.390 1.00 31.11 C ATOM 0 H THR A 75 -2.320 1.809 11.510 1.00 34.04 H new ATOM 0 HA THR A 75 -2.759 -1.064 11.153 1.00 12.52 H new ATOM 0 HB THR A 75 -3.399 -0.873 13.614 1.00 1.42 H new ATOM 0 HG1 THR A 75 -2.748 1.160 14.637 1.00 24.23 H new ATOM 0 HG21 THR A 75 -1.095 -0.561 14.462 1.00 31.11 H new ATOM 0 HG22 THR A 75 -1.134 -1.577 13.001 1.00 31.11 H new ATOM 0 HG23 THR A 75 -0.615 0.122 12.890 1.00 31.11 H new ATOM 1272 N SER A 76 -5.116 1.128 10.986 1.00 63.41 N ATOM 1273 CA SER A 76 -6.554 1.382 10.853 1.00 21.45 C ATOM 1274 C SER A 76 -6.827 2.378 9.717 1.00 44.40 C ATOM 1275 O SER A 76 -5.910 3.061 9.227 1.00 3.23 O ATOM 1276 CB SER A 76 -7.131 1.909 12.187 1.00 75.25 C ATOM 1277 OG SER A 76 -8.544 2.048 12.131 1.00 64.25 O ATOM 0 H SER A 76 -4.529 1.916 10.715 1.00 63.41 H new ATOM 0 HA SER A 76 -7.049 0.442 10.607 1.00 21.45 H new ATOM 0 HB2 SER A 76 -6.864 1.226 12.994 1.00 75.25 H new ATOM 0 HB3 SER A 76 -6.680 2.873 12.423 1.00 75.25 H new ATOM 0 HG SER A 76 -8.800 2.928 12.478 1.00 64.25 H new ATOM 1283 N ASN A 77 -8.117 2.446 9.337 1.00 3.42 N ATOM 1284 CA ASN A 77 -8.634 3.327 8.280 1.00 4.11 C ATOM 1285 C ASN A 77 -8.501 4.809 8.651 1.00 41.12 C ATOM 1286 O ASN A 77 -8.389 5.642 7.759 1.00 72.35 O ATOM 1287 CB ASN A 77 -10.115 2.961 7.941 1.00 64.34 C ATOM 1288 CG ASN A 77 -11.070 2.914 9.153 1.00 74.42 C ATOM 1289 OD1 ASN A 77 -10.930 3.652 10.130 1.00 3.22 O ATOM 1290 ND2 ASN A 77 -12.058 2.028 9.096 1.00 44.23 N ATOM 0 H ASN A 77 -8.844 1.875 9.769 1.00 3.42 H new ATOM 0 HA ASN A 77 -8.025 3.168 7.390 1.00 4.11 H new ATOM 0 HB2 ASN A 77 -10.498 3.687 7.224 1.00 64.34 H new ATOM 0 HB3 ASN A 77 -10.129 1.989 7.448 1.00 64.34 H new ATOM 0 HD21 ASN A 77 -12.718 1.949 9.870 1.00 44.23 H new ATOM 0 HD22 ASN A 77 -12.157 1.426 8.278 1.00 44.23 H new ATOM 1297 N ASP A 78 -8.499 5.113 9.973 1.00 50.03 N ATOM 1298 CA ASP A 78 -8.302 6.489 10.491 1.00 61.02 C ATOM 1299 C ASP A 78 -6.990 7.059 9.949 1.00 51.21 C ATOM 1300 O ASP A 78 -6.974 8.076 9.250 1.00 52.54 O ATOM 1301 CB ASP A 78 -8.251 6.515 12.044 1.00 54.23 C ATOM 1302 CG ASP A 78 -9.484 5.897 12.711 1.00 73.30 C ATOM 1303 OD1 ASP A 78 -10.524 6.582 12.825 1.00 4.33 O ATOM 1304 OD2 ASP A 78 -9.420 4.724 13.121 1.00 41.04 O ATOM 0 H ASP A 78 -8.633 4.416 10.705 1.00 50.03 H new ATOM 0 HA ASP A 78 -9.149 7.091 10.160 1.00 61.02 H new ATOM 0 HB2 ASP A 78 -7.362 5.981 12.379 1.00 54.23 H new ATOM 0 HB3 ASP A 78 -8.147 7.547 12.378 1.00 54.23 H new ATOM 1309 N GLU A 79 -5.908 6.313 10.230 1.00 44.53 N ATOM 1310 CA GLU A 79 -4.536 6.684 9.876 1.00 24.21 C ATOM 1311 C GLU A 79 -4.379 6.789 8.347 1.00 12.34 C ATOM 1312 O GLU A 79 -3.753 7.721 7.847 1.00 5.24 O ATOM 1313 CB GLU A 79 -3.547 5.638 10.452 1.00 51.42 C ATOM 1314 CG GLU A 79 -3.763 5.283 11.938 1.00 75.21 C ATOM 1315 CD GLU A 79 -3.779 6.507 12.870 1.00 62.24 C ATOM 1316 OE1 GLU A 79 -2.699 7.089 13.119 1.00 54.00 O ATOM 1317 OE2 GLU A 79 -4.869 6.896 13.353 1.00 71.32 O ATOM 0 H GLU A 79 -5.968 5.420 10.719 1.00 44.53 H new ATOM 0 HA GLU A 79 -4.312 7.660 10.307 1.00 24.21 H new ATOM 0 HB2 GLU A 79 -3.623 4.725 9.861 1.00 51.42 H new ATOM 0 HB3 GLU A 79 -2.531 6.014 10.328 1.00 51.42 H new ATOM 0 HG2 GLU A 79 -4.706 4.747 12.041 1.00 75.21 H new ATOM 0 HG3 GLU A 79 -2.973 4.603 12.259 1.00 75.21 H new ATOM 1324 N LEU A 80 -5.005 5.826 7.631 1.00 0.23 N ATOM 1325 CA LEU A 80 -4.993 5.745 6.155 1.00 72.01 C ATOM 1326 C LEU A 80 -5.536 7.050 5.548 1.00 70.23 C ATOM 1327 O LEU A 80 -4.828 7.728 4.802 1.00 44.45 O ATOM 1328 CB LEU A 80 -5.823 4.491 5.708 1.00 2.43 C ATOM 1329 CG LEU A 80 -6.000 4.186 4.161 1.00 63.34 C ATOM 1330 CD1 LEU A 80 -7.177 4.950 3.522 1.00 0.41 C ATOM 1331 CD2 LEU A 80 -4.691 4.428 3.368 1.00 1.32 C ATOM 0 H LEU A 80 -5.539 5.075 8.069 1.00 0.23 H new ATOM 0 HA LEU A 80 -3.973 5.626 5.790 1.00 72.01 H new ATOM 0 HB2 LEU A 80 -5.363 3.614 6.164 1.00 2.43 H new ATOM 0 HB3 LEU A 80 -6.820 4.588 6.139 1.00 2.43 H new ATOM 0 HG LEU A 80 -6.243 3.125 4.100 1.00 63.34 H new ATOM 0 HD11 LEU A 80 -7.243 4.697 2.464 1.00 0.41 H new ATOM 0 HD12 LEU A 80 -8.105 4.671 4.021 1.00 0.41 H new ATOM 0 HD13 LEU A 80 -7.016 6.023 3.629 1.00 0.41 H new ATOM 0 HD21 LEU A 80 -4.858 4.207 2.314 1.00 1.32 H new ATOM 0 HD22 LEU A 80 -4.387 5.469 3.477 1.00 1.32 H new ATOM 0 HD23 LEU A 80 -3.906 3.778 3.755 1.00 1.32 H new ATOM 1343 N GLU A 81 -6.775 7.410 5.946 1.00 13.22 N ATOM 1344 CA GLU A 81 -7.501 8.572 5.401 1.00 43.22 C ATOM 1345 C GLU A 81 -6.747 9.880 5.700 1.00 34.43 C ATOM 1346 O GLU A 81 -6.680 10.763 4.845 1.00 33.11 O ATOM 1347 CB GLU A 81 -8.948 8.605 5.967 1.00 51.33 C ATOM 1348 CG GLU A 81 -9.799 7.382 5.558 1.00 23.14 C ATOM 1349 CD GLU A 81 -11.156 7.310 6.272 1.00 72.12 C ATOM 1350 OE1 GLU A 81 -11.232 6.726 7.377 1.00 5.25 O ATOM 1351 OE2 GLU A 81 -12.160 7.826 5.726 1.00 74.45 O ATOM 0 H GLU A 81 -7.299 6.900 6.657 1.00 13.22 H new ATOM 0 HA GLU A 81 -7.561 8.475 4.317 1.00 43.22 H new ATOM 0 HB2 GLU A 81 -8.903 8.659 7.055 1.00 51.33 H new ATOM 0 HB3 GLU A 81 -9.443 9.513 5.623 1.00 51.33 H new ATOM 0 HG2 GLU A 81 -9.966 7.410 4.481 1.00 23.14 H new ATOM 0 HG3 GLU A 81 -9.238 6.472 5.770 1.00 23.14 H new ATOM 1358 N GLN A 82 -6.134 9.959 6.902 1.00 53.45 N ATOM 1359 CA GLN A 82 -5.344 11.132 7.329 1.00 54.01 C ATOM 1360 C GLN A 82 -4.076 11.312 6.458 1.00 34.22 C ATOM 1361 O GLN A 82 -3.687 12.446 6.146 1.00 22.13 O ATOM 1362 CB GLN A 82 -4.975 11.028 8.835 1.00 31.43 C ATOM 1363 CG GLN A 82 -6.173 11.058 9.813 1.00 12.42 C ATOM 1364 CD GLN A 82 -7.076 12.288 9.667 1.00 4.24 C ATOM 1365 OE1 GLN A 82 -8.058 12.277 8.925 1.00 75.41 O ATOM 1366 NE2 GLN A 82 -6.741 13.361 10.363 1.00 43.21 N ATOM 0 H GLN A 82 -6.173 9.215 7.599 1.00 53.45 H new ATOM 0 HA GLN A 82 -5.964 12.018 7.189 1.00 54.01 H new ATOM 0 HB2 GLN A 82 -4.421 10.103 8.993 1.00 31.43 H new ATOM 0 HB3 GLN A 82 -4.303 11.849 9.085 1.00 31.43 H new ATOM 0 HG2 GLN A 82 -6.773 10.161 9.661 1.00 12.42 H new ATOM 0 HG3 GLN A 82 -5.794 11.019 10.834 1.00 12.42 H new ATOM 0 HE21 GLN A 82 -5.921 13.340 10.970 1.00 43.21 H new ATOM 0 HE22 GLN A 82 -7.302 14.210 10.293 1.00 43.21 H new ATOM 1375 N VAL A 83 -3.450 10.182 6.063 1.00 44.33 N ATOM 1376 CA VAL A 83 -2.288 10.188 5.144 1.00 52.44 C ATOM 1377 C VAL A 83 -2.715 10.664 3.738 1.00 21.43 C ATOM 1378 O VAL A 83 -2.010 11.452 3.109 1.00 41.34 O ATOM 1379 CB VAL A 83 -1.576 8.775 5.048 1.00 72.13 C ATOM 1380 CG1 VAL A 83 -0.433 8.774 3.996 1.00 24.14 C ATOM 1381 CG2 VAL A 83 -1.034 8.329 6.428 1.00 42.34 C ATOM 0 H VAL A 83 -3.731 9.250 6.367 1.00 44.33 H new ATOM 0 HA VAL A 83 -1.561 10.886 5.560 1.00 52.44 H new ATOM 0 HB VAL A 83 -2.331 8.060 4.722 1.00 72.13 H new ATOM 0 HG11 VAL A 83 0.029 7.787 3.962 1.00 24.14 H new ATOM 0 HG12 VAL A 83 -0.841 9.018 3.015 1.00 24.14 H new ATOM 0 HG13 VAL A 83 0.316 9.516 4.272 1.00 24.14 H new ATOM 0 HG21 VAL A 83 -0.551 7.357 6.332 1.00 42.34 H new ATOM 0 HG22 VAL A 83 -0.310 9.060 6.788 1.00 42.34 H new ATOM 0 HG23 VAL A 83 -1.859 8.256 7.137 1.00 42.34 H new ATOM 1391 N VAL A 84 -3.899 10.202 3.276 1.00 74.21 N ATOM 1392 CA VAL A 84 -4.430 10.534 1.931 1.00 63.42 C ATOM 1393 C VAL A 84 -4.808 12.041 1.824 1.00 32.45 C ATOM 1394 O VAL A 84 -4.746 12.631 0.736 1.00 52.12 O ATOM 1395 CB VAL A 84 -5.657 9.613 1.544 1.00 50.32 C ATOM 1396 CG1 VAL A 84 -6.150 9.886 0.103 1.00 21.32 C ATOM 1397 CG2 VAL A 84 -5.312 8.115 1.709 1.00 51.12 C ATOM 0 H VAL A 84 -4.511 9.593 3.819 1.00 74.21 H new ATOM 0 HA VAL A 84 -3.632 10.339 1.214 1.00 63.42 H new ATOM 0 HB VAL A 84 -6.464 9.863 2.233 1.00 50.32 H new ATOM 0 HG11 VAL A 84 -6.993 9.233 -0.123 1.00 21.32 H new ATOM 0 HG12 VAL A 84 -6.463 10.926 0.017 1.00 21.32 H new ATOM 0 HG13 VAL A 84 -5.341 9.691 -0.601 1.00 21.32 H new ATOM 0 HG21 VAL A 84 -6.176 7.510 1.435 1.00 51.12 H new ATOM 0 HG22 VAL A 84 -4.472 7.862 1.062 1.00 51.12 H new ATOM 0 HG23 VAL A 84 -5.044 7.916 2.747 1.00 51.12 H new ATOM 1407 N LYS A 85 -5.171 12.660 2.970 1.00 34.04 N ATOM 1408 CA LYS A 85 -5.418 14.123 3.051 1.00 52.32 C ATOM 1409 C LYS A 85 -4.110 14.896 2.796 1.00 41.40 C ATOM 1410 O LYS A 85 -4.078 15.866 2.032 1.00 13.01 O ATOM 1411 CB LYS A 85 -5.978 14.518 4.453 1.00 41.01 C ATOM 1412 CG LYS A 85 -7.352 13.909 4.792 1.00 64.22 C ATOM 1413 CD LYS A 85 -7.791 14.164 6.251 1.00 53.13 C ATOM 1414 CE LYS A 85 -8.048 15.648 6.568 1.00 11.45 C ATOM 1415 NZ LYS A 85 -9.208 16.198 5.815 1.00 14.44 N ATOM 0 H LYS A 85 -5.300 12.170 3.855 1.00 34.04 H new ATOM 0 HA LYS A 85 -6.154 14.381 2.290 1.00 52.32 H new ATOM 0 HB2 LYS A 85 -5.262 14.211 5.215 1.00 41.01 H new ATOM 0 HB3 LYS A 85 -6.054 15.604 4.506 1.00 41.01 H new ATOM 0 HG2 LYS A 85 -8.101 14.323 4.117 1.00 64.22 H new ATOM 0 HG3 LYS A 85 -7.320 12.834 4.612 1.00 64.22 H new ATOM 0 HD2 LYS A 85 -8.699 13.596 6.453 1.00 53.13 H new ATOM 0 HD3 LYS A 85 -7.022 13.785 6.924 1.00 53.13 H new ATOM 0 HE2 LYS A 85 -8.226 15.763 7.637 1.00 11.45 H new ATOM 0 HE3 LYS A 85 -7.156 16.227 6.329 1.00 11.45 H new ATOM 0 HZ1 LYS A 85 -9.382 17.179 6.113 1.00 14.44 H new ATOM 0 HZ2 LYS A 85 -9.002 16.177 4.796 1.00 14.44 H new ATOM 0 HZ3 LYS A 85 -10.052 15.623 6.009 1.00 14.44 H new ATOM 1429 N ASP A 86 -3.034 14.413 3.434 1.00 75.21 N ATOM 1430 CA ASP A 86 -1.733 15.107 3.483 1.00 4.53 C ATOM 1431 C ASP A 86 -0.864 14.812 2.240 1.00 63.14 C ATOM 1432 O ASP A 86 -0.032 15.639 1.854 1.00 61.33 O ATOM 1433 CB ASP A 86 -0.992 14.709 4.789 1.00 12.30 C ATOM 1434 CG ASP A 86 0.262 15.569 5.066 1.00 24.23 C ATOM 1435 OD1 ASP A 86 0.116 16.693 5.594 1.00 33.44 O ATOM 1436 OD2 ASP A 86 1.393 15.126 4.775 1.00 23.22 O ATOM 0 H ASP A 86 -3.039 13.524 3.935 1.00 75.21 H new ATOM 0 HA ASP A 86 -1.918 16.181 3.479 1.00 4.53 H new ATOM 0 HB2 ASP A 86 -1.679 14.799 5.630 1.00 12.30 H new ATOM 0 HB3 ASP A 86 -0.699 13.661 4.727 1.00 12.30 H new ATOM 1441 N VAL A 87 -1.085 13.644 1.597 1.00 63.04 N ATOM 1442 CA VAL A 87 -0.284 13.207 0.428 1.00 52.34 C ATOM 1443 C VAL A 87 -0.568 14.098 -0.804 1.00 14.33 C ATOM 1444 O VAL A 87 0.235 14.154 -1.726 1.00 73.12 O ATOM 1445 CB VAL A 87 -0.532 11.683 0.073 1.00 23.41 C ATOM 1446 CG1 VAL A 87 -1.909 11.457 -0.594 1.00 52.35 C ATOM 1447 CG2 VAL A 87 0.611 11.107 -0.800 1.00 41.00 C ATOM 0 H VAL A 87 -1.814 12.984 1.868 1.00 63.04 H new ATOM 0 HA VAL A 87 0.765 13.316 0.705 1.00 52.34 H new ATOM 0 HB VAL A 87 -0.537 11.139 1.017 1.00 23.41 H new ATOM 0 HG11 VAL A 87 -2.035 10.398 -0.819 1.00 52.35 H new ATOM 0 HG12 VAL A 87 -2.699 11.780 0.084 1.00 52.35 H new ATOM 0 HG13 VAL A 87 -1.965 12.034 -1.517 1.00 52.35 H new ATOM 0 HG21 VAL A 87 0.406 10.060 -1.023 1.00 41.00 H new ATOM 0 HG22 VAL A 87 0.677 11.670 -1.731 1.00 41.00 H new ATOM 0 HG23 VAL A 87 1.555 11.185 -0.261 1.00 41.00 H new