USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=15 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 -142:sc= 0.324 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ -160:sc= 0.659 (180deg=0.275) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 165:sc= 0.588 (180deg=0.527) USER MOD Single : A 23 GLN : amide:sc= 0.18 K(o=0.18,f=-7.5!) USER MOD Single : A 30 THR OG1 : rot 180:sc=-0.00993 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.436 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= -0.729 X(o=-0.73,f=-0.42) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -0.25 X(o=-0.25,f=-0.32) USER MOD Single : A 44 LYS NZ :NH3+ 174:sc=-0.000416 (180deg=-0.0484) USER MOD Single : A 45 LYS NZ :NH3+ 173:sc= 0.372 (180deg=0.28) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 49 LYS NZ :NH3+ 173:sc= -0.812! (180deg=-0.969!) USER MOD Single : A 56 SER OG : rot 179:sc= -0.355 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.082) USER MOD Single : A 62 LYS NZ :NH3+ -110:sc= -0.76 (180deg=-1.9!) USER MOD Single : A 64 LYS NZ :NH3+ 166:sc= -0.0088 (180deg=-0.192) USER MOD Single : A 65 GLN : amide:sc= 0.022 X(o=0.022,f=0) USER MOD Single : A 68 ASN : amide:sc= -1.27 K(o=-1.3,f=0) USER MOD Single : A 70 GLN : amide:sc= -0.251 X(o=-0.25,f=-0.15) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.0595 X(o=-0.059,f=0) USER MOD Single : A 82 GLN : amide:sc= -0.152 X(o=-0.15,f=-0.38) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 27 N ARG A 3 2.009 9.886 -6.968 1.00 55.13 N ATOM 28 CA ARG A 3 0.728 9.153 -6.870 1.00 2.23 C ATOM 29 C ARG A 3 0.790 8.145 -5.707 1.00 11.10 C ATOM 30 O ARG A 3 1.880 7.780 -5.275 1.00 53.22 O ATOM 31 CB ARG A 3 0.414 8.451 -8.224 1.00 21.12 C ATOM 32 CG ARG A 3 -0.992 7.814 -8.314 1.00 5.54 C ATOM 33 CD ARG A 3 -1.346 7.344 -9.729 1.00 20.40 C ATOM 34 NE ARG A 3 -1.360 8.454 -10.697 1.00 53.34 N ATOM 35 CZ ARG A 3 -2.433 8.880 -11.384 1.00 72.15 C ATOM 36 NH1 ARG A 3 -3.628 8.304 -11.218 1.00 55.41 N ATOM 37 NH2 ARG A 3 -2.299 9.894 -12.225 1.00 22.12 N ATOM 0 HA ARG A 3 -0.081 9.853 -6.662 1.00 2.23 H new ATOM 0 HB2 ARG A 3 0.519 9.180 -9.028 1.00 21.12 H new ATOM 0 HB3 ARG A 3 1.160 7.676 -8.397 1.00 21.12 H new ATOM 0 HG2 ARG A 3 -1.045 6.966 -7.631 1.00 5.54 H new ATOM 0 HG3 ARG A 3 -1.735 8.538 -7.981 1.00 5.54 H new ATOM 0 HD2 ARG A 3 -0.625 6.592 -10.051 1.00 20.40 H new ATOM 0 HD3 ARG A 3 -2.324 6.863 -9.716 1.00 20.40 H new ATOM 0 HE ARG A 3 -0.479 8.941 -10.860 1.00 53.34 H new ATOM 0 HH11 ARG A 3 -3.734 7.530 -10.562 1.00 55.41 H new ATOM 0 HH12 ARG A 3 -4.433 8.639 -11.747 1.00 55.41 H new ATOM 0 HH21 ARG A 3 -1.390 10.341 -12.344 1.00 22.12 H new ATOM 0 HH22 ARG A 3 -3.105 10.228 -12.753 1.00 22.12 H new ATOM 51 N LEU A 4 -0.383 7.733 -5.185 1.00 54.11 N ATOM 52 CA LEU A 4 -0.480 6.837 -4.015 1.00 21.43 C ATOM 53 C LEU A 4 -0.886 5.402 -4.434 1.00 11.42 C ATOM 54 O LEU A 4 -1.758 5.218 -5.298 1.00 32.04 O ATOM 55 CB LEU A 4 -1.525 7.416 -3.018 1.00 61.41 C ATOM 56 CG LEU A 4 -1.485 6.845 -1.569 1.00 51.33 C ATOM 57 CD1 LEU A 4 -0.157 7.199 -0.863 1.00 4.33 C ATOM 58 CD2 LEU A 4 -2.695 7.325 -0.746 1.00 1.01 C ATOM 0 H LEU A 4 -1.289 8.012 -5.562 1.00 54.11 H new ATOM 0 HA LEU A 4 0.499 6.778 -3.539 1.00 21.43 H new ATOM 0 HB2 LEU A 4 -1.385 8.496 -2.964 1.00 61.41 H new ATOM 0 HB3 LEU A 4 -2.521 7.243 -3.427 1.00 61.41 H new ATOM 0 HG LEU A 4 -1.543 5.759 -1.642 1.00 51.33 H new ATOM 0 HD11 LEU A 4 -0.160 6.786 0.146 1.00 4.33 H new ATOM 0 HD12 LEU A 4 0.677 6.778 -1.425 1.00 4.33 H new ATOM 0 HD13 LEU A 4 -0.050 8.282 -0.812 1.00 4.33 H new ATOM 0 HD21 LEU A 4 -2.638 6.910 0.260 1.00 1.01 H new ATOM 0 HD22 LEU A 4 -2.688 8.414 -0.690 1.00 1.01 H new ATOM 0 HD23 LEU A 4 -3.616 6.992 -1.225 1.00 1.01 H new ATOM 70 N VAL A 5 -0.222 4.395 -3.826 1.00 41.54 N ATOM 71 CA VAL A 5 -0.637 2.975 -3.870 1.00 30.21 C ATOM 72 C VAL A 5 -0.835 2.483 -2.428 1.00 22.13 C ATOM 73 O VAL A 5 0.051 2.649 -1.580 1.00 42.43 O ATOM 74 CB VAL A 5 0.399 2.050 -4.637 1.00 2.02 C ATOM 75 CG1 VAL A 5 0.109 0.539 -4.433 1.00 41.40 C ATOM 76 CG2 VAL A 5 0.414 2.376 -6.145 1.00 71.43 C ATOM 0 H VAL A 5 0.628 4.547 -3.284 1.00 41.54 H new ATOM 0 HA VAL A 5 -1.569 2.910 -4.432 1.00 30.21 H new ATOM 0 HB VAL A 5 1.379 2.262 -4.209 1.00 2.02 H new ATOM 0 HG11 VAL A 5 0.846 -0.050 -4.979 1.00 41.40 H new ATOM 0 HG12 VAL A 5 0.165 0.298 -3.372 1.00 41.40 H new ATOM 0 HG13 VAL A 5 -0.889 0.306 -4.806 1.00 41.40 H new ATOM 0 HG21 VAL A 5 1.132 1.729 -6.650 1.00 71.43 H new ATOM 0 HG22 VAL A 5 -0.579 2.212 -6.563 1.00 71.43 H new ATOM 0 HG23 VAL A 5 0.700 3.418 -6.289 1.00 71.43 H new ATOM 86 N VAL A 6 -2.014 1.904 -2.157 1.00 14.02 N ATOM 87 CA VAL A 6 -2.381 1.382 -0.838 1.00 74.05 C ATOM 88 C VAL A 6 -2.278 -0.152 -0.853 1.00 24.13 C ATOM 89 O VAL A 6 -3.133 -0.837 -1.415 1.00 3.03 O ATOM 90 CB VAL A 6 -3.838 1.829 -0.445 1.00 14.12 C ATOM 91 CG1 VAL A 6 -4.259 1.254 0.926 1.00 31.24 C ATOM 92 CG2 VAL A 6 -3.979 3.373 -0.480 1.00 32.13 C ATOM 0 H VAL A 6 -2.746 1.785 -2.857 1.00 14.02 H new ATOM 0 HA VAL A 6 -1.695 1.785 -0.093 1.00 74.05 H new ATOM 0 HB VAL A 6 -4.519 1.418 -1.190 1.00 14.12 H new ATOM 0 HG11 VAL A 6 -5.270 1.584 1.164 1.00 31.24 H new ATOM 0 HG12 VAL A 6 -4.232 0.165 0.888 1.00 31.24 H new ATOM 0 HG13 VAL A 6 -3.572 1.607 1.695 1.00 31.24 H new ATOM 0 HG21 VAL A 6 -4.996 3.652 -0.204 1.00 32.13 H new ATOM 0 HG22 VAL A 6 -3.277 3.819 0.225 1.00 32.13 H new ATOM 0 HG23 VAL A 6 -3.764 3.735 -1.485 1.00 32.13 H new ATOM 102 N VAL A 7 -1.201 -0.673 -0.267 1.00 22.14 N ATOM 103 CA VAL A 7 -0.975 -2.116 -0.138 1.00 14.11 C ATOM 104 C VAL A 7 -1.706 -2.642 1.108 1.00 21.21 C ATOM 105 O VAL A 7 -1.431 -2.209 2.227 1.00 64.55 O ATOM 106 CB VAL A 7 0.553 -2.433 -0.017 1.00 41.54 C ATOM 107 CG1 VAL A 7 0.834 -3.951 0.006 1.00 22.23 C ATOM 108 CG2 VAL A 7 1.354 -1.730 -1.130 1.00 74.04 C ATOM 0 H VAL A 7 -0.455 -0.105 0.135 1.00 22.14 H new ATOM 0 HA VAL A 7 -1.362 -2.607 -1.031 1.00 14.11 H new ATOM 0 HB VAL A 7 0.888 -2.037 0.941 1.00 41.54 H new ATOM 0 HG11 VAL A 7 1.907 -4.121 0.091 1.00 22.23 H new ATOM 0 HG12 VAL A 7 0.326 -4.402 0.859 1.00 22.23 H new ATOM 0 HG13 VAL A 7 0.467 -4.403 -0.915 1.00 22.23 H new ATOM 0 HG21 VAL A 7 2.412 -1.967 -1.022 1.00 74.04 H new ATOM 0 HG22 VAL A 7 1.003 -2.073 -2.103 1.00 74.04 H new ATOM 0 HG23 VAL A 7 1.214 -0.652 -1.053 1.00 74.04 H new ATOM 118 N VAL A 8 -2.633 -3.572 0.893 1.00 2.24 N ATOM 119 CA VAL A 8 -3.405 -4.237 1.952 1.00 64.35 C ATOM 120 C VAL A 8 -3.115 -5.744 1.890 1.00 33.13 C ATOM 121 O VAL A 8 -2.703 -6.256 0.844 1.00 34.01 O ATOM 122 CB VAL A 8 -4.952 -3.979 1.783 1.00 33.32 C ATOM 123 CG1 VAL A 8 -5.298 -2.476 1.930 1.00 51.54 C ATOM 124 CG2 VAL A 8 -5.468 -4.530 0.432 1.00 44.43 C ATOM 0 H VAL A 8 -2.878 -3.895 -0.043 1.00 2.24 H new ATOM 0 HA VAL A 8 -3.108 -3.830 2.919 1.00 64.35 H new ATOM 0 HB VAL A 8 -5.458 -4.517 2.584 1.00 33.32 H new ATOM 0 HG11 VAL A 8 -6.372 -2.336 1.808 1.00 51.54 H new ATOM 0 HG12 VAL A 8 -4.997 -2.128 2.918 1.00 51.54 H new ATOM 0 HG13 VAL A 8 -4.769 -1.905 1.168 1.00 51.54 H new ATOM 0 HG21 VAL A 8 -6.537 -4.337 0.345 1.00 44.43 H new ATOM 0 HG22 VAL A 8 -4.943 -4.038 -0.386 1.00 44.43 H new ATOM 0 HG23 VAL A 8 -5.288 -5.604 0.385 1.00 44.43 H new ATOM 134 N THR A 9 -3.297 -6.445 3.009 1.00 51.12 N ATOM 135 CA THR A 9 -3.194 -7.917 3.057 1.00 14.13 C ATOM 136 C THR A 9 -4.581 -8.575 3.183 1.00 44.45 C ATOM 137 O THR A 9 -4.676 -9.801 3.273 1.00 42.31 O ATOM 138 CB THR A 9 -2.263 -8.364 4.237 1.00 54.42 C ATOM 139 OG1 THR A 9 -2.618 -7.651 5.437 1.00 23.31 O ATOM 140 CG2 THR A 9 -0.770 -8.138 3.916 1.00 13.13 C ATOM 0 H THR A 9 -3.519 -6.018 3.908 1.00 51.12 H new ATOM 0 HA THR A 9 -2.753 -8.251 2.118 1.00 14.13 H new ATOM 0 HB THR A 9 -2.410 -9.434 4.384 1.00 54.42 H new ATOM 0 HG1 THR A 9 -1.806 -7.430 5.939 1.00 23.31 H new ATOM 0 HG21 THR A 9 -0.163 -8.462 4.761 1.00 13.13 H new ATOM 0 HG22 THR A 9 -0.497 -8.714 3.032 1.00 13.13 H new ATOM 0 HG23 THR A 9 -0.595 -7.079 3.728 1.00 13.13 H new ATOM 148 N SER A 10 -5.667 -7.771 3.150 1.00 43.22 N ATOM 149 CA SER A 10 -7.043 -8.284 3.341 1.00 13.31 C ATOM 150 C SER A 10 -8.030 -7.638 2.349 1.00 62.23 C ATOM 151 O SER A 10 -7.945 -6.434 2.077 1.00 4.30 O ATOM 152 CB SER A 10 -7.490 -8.030 4.800 1.00 61.05 C ATOM 153 OG SER A 10 -6.594 -8.622 5.731 1.00 2.21 O ATOM 0 H SER A 10 -5.618 -6.764 2.993 1.00 43.22 H new ATOM 0 HA SER A 10 -7.043 -9.356 3.144 1.00 13.31 H new ATOM 0 HB2 SER A 10 -7.548 -6.957 4.982 1.00 61.05 H new ATOM 0 HB3 SER A 10 -8.491 -8.434 4.950 1.00 61.05 H new ATOM 0 HG SER A 10 -6.904 -8.442 6.643 1.00 2.21 H new ATOM 159 N GLU A 11 -8.949 -8.472 1.808 1.00 53.14 N ATOM 160 CA GLU A 11 -10.045 -8.043 0.905 1.00 61.14 C ATOM 161 C GLU A 11 -10.964 -7.003 1.565 1.00 0.25 C ATOM 162 O GLU A 11 -11.390 -6.052 0.905 1.00 32.23 O ATOM 163 CB GLU A 11 -10.879 -9.283 0.438 1.00 52.11 C ATOM 164 CG GLU A 11 -10.325 -10.000 -0.810 1.00 2.11 C ATOM 165 CD GLU A 11 -10.553 -9.202 -2.112 1.00 42.20 C ATOM 166 OE1 GLU A 11 -11.618 -9.363 -2.738 1.00 50.05 O ATOM 167 OE2 GLU A 11 -9.677 -8.407 -2.512 1.00 5.05 O ATOM 0 H GLU A 11 -8.951 -9.476 1.989 1.00 53.14 H new ATOM 0 HA GLU A 11 -9.586 -7.569 0.038 1.00 61.14 H new ATOM 0 HB2 GLU A 11 -10.931 -9.999 1.258 1.00 52.11 H new ATOM 0 HB3 GLU A 11 -11.900 -8.960 0.232 1.00 52.11 H new ATOM 0 HG2 GLU A 11 -9.257 -10.174 -0.679 1.00 2.11 H new ATOM 0 HG3 GLU A 11 -10.798 -10.978 -0.901 1.00 2.11 H new ATOM 174 N GLN A 12 -11.255 -7.211 2.863 1.00 13.10 N ATOM 175 CA GLN A 12 -12.101 -6.301 3.664 1.00 51.01 C ATOM 176 C GLN A 12 -11.510 -4.873 3.712 1.00 12.53 C ATOM 177 O GLN A 12 -12.252 -3.892 3.732 1.00 42.31 O ATOM 178 CB GLN A 12 -12.289 -6.863 5.103 1.00 32.22 C ATOM 179 CG GLN A 12 -10.981 -7.042 5.905 1.00 22.33 C ATOM 180 CD GLN A 12 -11.196 -7.658 7.288 1.00 4.34 C ATOM 181 OE1 GLN A 12 -11.376 -6.955 8.285 1.00 33.44 O ATOM 182 NE2 GLN A 12 -11.196 -8.979 7.355 1.00 62.13 N ATOM 0 H GLN A 12 -10.911 -8.015 3.388 1.00 13.10 H new ATOM 0 HA GLN A 12 -13.076 -6.239 3.180 1.00 51.01 H new ATOM 0 HB2 GLN A 12 -12.949 -6.194 5.656 1.00 32.22 H new ATOM 0 HB3 GLN A 12 -12.794 -7.827 5.038 1.00 32.22 H new ATOM 0 HG2 GLN A 12 -10.298 -7.673 5.336 1.00 22.33 H new ATOM 0 HG3 GLN A 12 -10.498 -6.072 6.019 1.00 22.33 H new ATOM 0 HE21 GLN A 12 -11.044 -9.532 6.512 1.00 62.13 H new ATOM 0 HE22 GLN A 12 -11.348 -9.444 8.250 1.00 62.13 H new ATOM 191 N LEU A 13 -10.161 -4.791 3.715 1.00 53.32 N ATOM 192 CA LEU A 13 -9.416 -3.517 3.727 1.00 52.53 C ATOM 193 C LEU A 13 -9.305 -2.933 2.306 1.00 42.03 C ATOM 194 O LEU A 13 -9.270 -1.716 2.132 1.00 43.14 O ATOM 195 CB LEU A 13 -7.999 -3.742 4.319 1.00 53.35 C ATOM 196 CG LEU A 13 -7.947 -4.351 5.753 1.00 42.12 C ATOM 197 CD1 LEU A 13 -6.498 -4.715 6.149 1.00 40.14 C ATOM 198 CD2 LEU A 13 -8.605 -3.408 6.787 1.00 23.04 C ATOM 0 H LEU A 13 -9.557 -5.613 3.709 1.00 53.32 H new ATOM 0 HA LEU A 13 -9.959 -2.805 4.348 1.00 52.53 H new ATOM 0 HB2 LEU A 13 -7.446 -4.398 3.647 1.00 53.35 H new ATOM 0 HB3 LEU A 13 -7.476 -2.786 4.333 1.00 53.35 H new ATOM 0 HG LEU A 13 -8.525 -5.275 5.747 1.00 42.12 H new ATOM 0 HD11 LEU A 13 -6.491 -5.138 7.154 1.00 40.14 H new ATOM 0 HD12 LEU A 13 -6.101 -5.446 5.445 1.00 40.14 H new ATOM 0 HD13 LEU A 13 -5.879 -3.818 6.128 1.00 40.14 H new ATOM 0 HD21 LEU A 13 -8.553 -3.861 7.777 1.00 23.04 H new ATOM 0 HD22 LEU A 13 -8.078 -2.454 6.796 1.00 23.04 H new ATOM 0 HD23 LEU A 13 -9.648 -3.244 6.518 1.00 23.04 H new ATOM 210 N LYS A 14 -9.242 -3.826 1.303 1.00 0.21 N ATOM 211 CA LYS A 14 -9.116 -3.440 -0.112 1.00 70.40 C ATOM 212 C LYS A 14 -10.365 -2.684 -0.589 1.00 12.25 C ATOM 213 O LYS A 14 -10.264 -1.537 -1.038 1.00 44.33 O ATOM 214 CB LYS A 14 -8.829 -4.692 -0.983 1.00 55.35 C ATOM 215 CG LYS A 14 -8.775 -4.444 -2.514 1.00 45.14 C ATOM 216 CD LYS A 14 -7.970 -5.536 -3.266 1.00 53.32 C ATOM 217 CE LYS A 14 -8.462 -5.769 -4.699 1.00 62.22 C ATOM 218 NZ LYS A 14 -9.812 -6.395 -4.703 1.00 5.42 N ATOM 0 H LYS A 14 -9.277 -4.835 1.451 1.00 0.21 H new ATOM 0 HA LYS A 14 -8.272 -2.758 -0.218 1.00 70.40 H new ATOM 0 HB2 LYS A 14 -7.878 -5.121 -0.669 1.00 55.35 H new ATOM 0 HB3 LYS A 14 -9.598 -5.438 -0.780 1.00 55.35 H new ATOM 0 HG2 LYS A 14 -9.790 -4.409 -2.909 1.00 45.14 H new ATOM 0 HG3 LYS A 14 -8.325 -3.470 -2.705 1.00 45.14 H new ATOM 0 HD2 LYS A 14 -6.918 -5.250 -3.292 1.00 53.32 H new ATOM 0 HD3 LYS A 14 -8.033 -6.472 -2.710 1.00 53.32 H new ATOM 0 HE2 LYS A 14 -8.495 -4.820 -5.235 1.00 62.22 H new ATOM 0 HE3 LYS A 14 -7.758 -6.410 -5.229 1.00 62.22 H new ATOM 0 HZ1 LYS A 14 -9.982 -6.847 -5.624 1.00 5.42 H new ATOM 0 HZ2 LYS A 14 -9.865 -7.111 -3.951 1.00 5.42 H new ATOM 0 HZ3 LYS A 14 -10.534 -5.665 -4.537 1.00 5.42 H new ATOM 232 N GLU A 15 -11.541 -3.322 -0.429 1.00 73.52 N ATOM 233 CA GLU A 15 -12.842 -2.720 -0.775 1.00 52.52 C ATOM 234 C GLU A 15 -13.136 -1.458 0.068 1.00 23.31 C ATOM 235 O GLU A 15 -13.854 -0.576 -0.383 1.00 41.24 O ATOM 236 CB GLU A 15 -13.984 -3.755 -0.597 1.00 33.41 C ATOM 237 CG GLU A 15 -14.146 -4.294 0.842 1.00 32.45 C ATOM 238 CD GLU A 15 -15.289 -5.302 1.017 1.00 75.35 C ATOM 239 OE1 GLU A 15 -15.451 -6.189 0.156 1.00 71.50 O ATOM 240 OE2 GLU A 15 -16.008 -5.235 2.037 1.00 74.05 O ATOM 0 H GLU A 15 -11.615 -4.269 -0.056 1.00 73.52 H new ATOM 0 HA GLU A 15 -12.791 -2.417 -1.821 1.00 52.52 H new ATOM 0 HB2 GLU A 15 -14.923 -3.297 -0.907 1.00 33.41 H new ATOM 0 HB3 GLU A 15 -13.803 -4.595 -1.267 1.00 33.41 H new ATOM 0 HG2 GLU A 15 -13.212 -4.766 1.147 1.00 32.45 H new ATOM 0 HG3 GLU A 15 -14.313 -3.453 1.515 1.00 32.45 H new ATOM 247 N GLU A 16 -12.558 -1.403 1.287 1.00 22.14 N ATOM 248 CA GLU A 16 -12.696 -0.281 2.243 1.00 3.34 C ATOM 249 C GLU A 16 -12.121 1.012 1.601 1.00 55.23 C ATOM 250 O GLU A 16 -12.842 2.015 1.380 1.00 11.50 O ATOM 251 CB GLU A 16 -11.922 -0.670 3.561 1.00 35.43 C ATOM 252 CG GLU A 16 -12.465 -0.127 4.897 1.00 54.23 C ATOM 253 CD GLU A 16 -12.416 1.397 5.049 1.00 34.52 C ATOM 254 OE1 GLU A 16 -11.307 1.986 5.002 1.00 64.12 O ATOM 255 OE2 GLU A 16 -13.477 2.011 5.236 1.00 23.31 O ATOM 0 H GLU A 16 -11.968 -2.155 1.643 1.00 22.14 H new ATOM 0 HA GLU A 16 -13.741 -0.092 2.488 1.00 3.34 H new ATOM 0 HB2 GLU A 16 -11.897 -1.758 3.626 1.00 35.43 H new ATOM 0 HB3 GLU A 16 -10.891 -0.333 3.456 1.00 35.43 H new ATOM 0 HG2 GLU A 16 -13.498 -0.455 5.011 1.00 54.23 H new ATOM 0 HG3 GLU A 16 -11.897 -0.576 5.711 1.00 54.23 H new ATOM 262 N VAL A 17 -10.821 0.936 1.250 1.00 30.44 N ATOM 263 CA VAL A 17 -10.077 2.067 0.683 1.00 43.21 C ATOM 264 C VAL A 17 -10.607 2.447 -0.714 1.00 21.33 C ATOM 265 O VAL A 17 -10.782 3.625 -0.995 1.00 64.23 O ATOM 266 CB VAL A 17 -8.533 1.782 0.591 1.00 31.11 C ATOM 267 CG1 VAL A 17 -7.758 3.058 0.181 1.00 25.22 C ATOM 268 CG2 VAL A 17 -7.980 1.191 1.907 1.00 65.12 C ATOM 0 H VAL A 17 -10.263 0.088 1.353 1.00 30.44 H new ATOM 0 HA VAL A 17 -10.232 2.901 1.367 1.00 43.21 H new ATOM 0 HB VAL A 17 -8.385 1.032 -0.186 1.00 31.11 H new ATOM 0 HG11 VAL A 17 -6.693 2.834 0.124 1.00 25.22 H new ATOM 0 HG12 VAL A 17 -8.109 3.400 -0.793 1.00 25.22 H new ATOM 0 HG13 VAL A 17 -7.926 3.839 0.922 1.00 25.22 H new ATOM 0 HG21 VAL A 17 -6.911 1.008 1.803 1.00 65.12 H new ATOM 0 HG22 VAL A 17 -8.150 1.895 2.722 1.00 65.12 H new ATOM 0 HG23 VAL A 17 -8.489 0.252 2.126 1.00 65.12 H new ATOM 278 N ARG A 18 -10.871 1.432 -1.581 1.00 61.44 N ATOM 279 CA ARG A 18 -11.374 1.664 -2.956 1.00 33.14 C ATOM 280 C ARG A 18 -12.778 2.301 -2.948 1.00 10.02 C ATOM 281 O ARG A 18 -13.114 3.069 -3.856 1.00 52.54 O ATOM 282 CB ARG A 18 -11.391 0.350 -3.789 1.00 12.52 C ATOM 283 CG ARG A 18 -10.009 -0.313 -3.958 1.00 3.02 C ATOM 284 CD ARG A 18 -10.020 -1.531 -4.903 1.00 54.00 C ATOM 285 NE ARG A 18 -10.225 -1.138 -6.305 1.00 31.12 N ATOM 286 CZ ARG A 18 -10.497 -1.973 -7.321 1.00 22.04 C ATOM 287 NH1 ARG A 18 -10.619 -3.290 -7.123 1.00 22.12 N ATOM 288 NH2 ARG A 18 -10.626 -1.477 -8.544 1.00 13.51 N ATOM 0 H ARG A 18 -10.743 0.447 -1.348 1.00 61.44 H new ATOM 0 HA ARG A 18 -10.683 2.362 -3.428 1.00 33.14 H new ATOM 0 HB2 ARG A 18 -12.066 -0.360 -3.311 1.00 12.52 H new ATOM 0 HB3 ARG A 18 -11.801 0.565 -4.776 1.00 12.52 H new ATOM 0 HG2 ARG A 18 -9.305 0.426 -4.340 1.00 3.02 H new ATOM 0 HG3 ARG A 18 -9.643 -0.626 -2.980 1.00 3.02 H new ATOM 0 HD2 ARG A 18 -9.077 -2.069 -4.812 1.00 54.00 H new ATOM 0 HD3 ARG A 18 -10.810 -2.218 -4.600 1.00 54.00 H new ATOM 0 HE ARG A 18 -10.154 -0.145 -6.525 1.00 31.12 H new ATOM 0 HH11 ARG A 18 -10.505 -3.678 -6.186 1.00 22.12 H new ATOM 0 HH12 ARG A 18 -10.826 -3.907 -7.909 1.00 22.12 H new ATOM 0 HH21 ARG A 18 -10.519 -0.475 -8.702 1.00 13.51 H new ATOM 0 HH22 ARG A 18 -10.833 -2.097 -9.327 1.00 13.51 H new ATOM 302 N LYS A 19 -13.584 1.970 -1.910 1.00 23.34 N ATOM 303 CA LYS A 19 -14.929 2.549 -1.708 1.00 22.43 C ATOM 304 C LYS A 19 -14.825 4.062 -1.516 1.00 12.14 C ATOM 305 O LYS A 19 -15.430 4.842 -2.252 1.00 3.44 O ATOM 306 CB LYS A 19 -15.603 1.930 -0.450 1.00 23.14 C ATOM 307 CG LYS A 19 -16.975 2.529 -0.067 1.00 30.31 C ATOM 308 CD LYS A 19 -17.436 2.114 1.349 1.00 52.41 C ATOM 309 CE LYS A 19 -17.556 0.589 1.528 1.00 12.00 C ATOM 310 NZ LYS A 19 -18.050 0.224 2.882 1.00 52.21 N ATOM 0 H LYS A 19 -13.318 1.296 -1.192 1.00 23.34 H new ATOM 0 HA LYS A 19 -15.531 2.328 -2.589 1.00 22.43 H new ATOM 0 HB2 LYS A 19 -15.727 0.860 -0.615 1.00 23.14 H new ATOM 0 HB3 LYS A 19 -14.927 2.046 0.397 1.00 23.14 H new ATOM 0 HG2 LYS A 19 -16.920 3.616 -0.122 1.00 30.31 H new ATOM 0 HG3 LYS A 19 -17.721 2.211 -0.795 1.00 30.31 H new ATOM 0 HD2 LYS A 19 -16.730 2.505 2.082 1.00 52.41 H new ATOM 0 HD3 LYS A 19 -18.401 2.575 1.559 1.00 52.41 H new ATOM 0 HE2 LYS A 19 -18.234 0.188 0.775 1.00 12.00 H new ATOM 0 HE3 LYS A 19 -16.583 0.127 1.360 1.00 12.00 H new ATOM 0 HZ1 LYS A 19 -18.116 -0.811 2.960 1.00 52.21 H new ATOM 0 HZ2 LYS A 19 -17.390 0.584 3.601 1.00 52.21 H new ATOM 0 HZ3 LYS A 19 -18.990 0.643 3.033 1.00 52.21 H new ATOM 324 N LYS A 20 -14.013 4.452 -0.524 1.00 12.33 N ATOM 325 CA LYS A 20 -13.866 5.861 -0.128 1.00 32.51 C ATOM 326 C LYS A 20 -12.998 6.646 -1.129 1.00 4.51 C ATOM 327 O LYS A 20 -13.200 7.849 -1.323 1.00 12.14 O ATOM 328 CB LYS A 20 -13.263 5.910 1.293 1.00 60.30 C ATOM 329 CG LYS A 20 -14.174 5.269 2.375 1.00 71.12 C ATOM 330 CD LYS A 20 -13.390 4.624 3.531 1.00 12.54 C ATOM 331 CE LYS A 20 -12.554 5.588 4.377 1.00 24.03 C ATOM 332 NZ LYS A 20 -11.962 4.887 5.560 1.00 73.31 N ATOM 0 H LYS A 20 -13.443 3.806 0.023 1.00 12.33 H new ATOM 0 HA LYS A 20 -14.846 6.339 -0.129 1.00 32.51 H new ATOM 0 HB2 LYS A 20 -12.301 5.397 1.289 1.00 60.30 H new ATOM 0 HB3 LYS A 20 -13.069 6.949 1.561 1.00 60.30 H new ATOM 0 HG2 LYS A 20 -14.839 6.033 2.778 1.00 71.12 H new ATOM 0 HG3 LYS A 20 -14.804 4.513 1.907 1.00 71.12 H new ATOM 0 HD2 LYS A 20 -14.096 4.112 4.185 1.00 12.54 H new ATOM 0 HD3 LYS A 20 -12.728 3.862 3.118 1.00 12.54 H new ATOM 0 HE2 LYS A 20 -11.758 6.016 3.768 1.00 24.03 H new ATOM 0 HE3 LYS A 20 -13.177 6.416 4.715 1.00 24.03 H new ATOM 0 HZ1 LYS A 20 -11.209 5.475 5.971 1.00 73.31 H new ATOM 0 HZ2 LYS A 20 -12.702 4.724 6.273 1.00 73.31 H new ATOM 0 HZ3 LYS A 20 -11.564 3.975 5.259 1.00 73.31 H new ATOM 346 N PHE A 21 -12.039 5.939 -1.765 1.00 11.15 N ATOM 347 CA PHE A 21 -11.000 6.542 -2.626 1.00 74.23 C ATOM 348 C PHE A 21 -10.802 5.662 -3.888 1.00 42.45 C ATOM 349 O PHE A 21 -9.937 4.773 -3.905 1.00 25.53 O ATOM 350 CB PHE A 21 -9.640 6.706 -1.863 1.00 12.41 C ATOM 351 CG PHE A 21 -9.776 7.302 -0.464 1.00 60.23 C ATOM 352 CD1 PHE A 21 -10.035 8.665 -0.277 1.00 13.20 C ATOM 353 CD2 PHE A 21 -9.686 6.491 0.669 1.00 71.14 C ATOM 354 CE1 PHE A 21 -10.202 9.184 0.998 1.00 32.25 C ATOM 355 CE2 PHE A 21 -9.847 7.017 1.930 1.00 71.30 C ATOM 356 CZ PHE A 21 -10.107 8.355 2.094 1.00 24.51 C ATOM 0 H PHE A 21 -11.964 4.924 -1.694 1.00 11.15 H new ATOM 0 HA PHE A 21 -11.334 7.538 -2.918 1.00 74.23 H new ATOM 0 HB2 PHE A 21 -9.160 5.731 -1.785 1.00 12.41 H new ATOM 0 HB3 PHE A 21 -8.979 7.340 -2.454 1.00 12.41 H new ATOM 0 HD1 PHE A 21 -10.105 9.319 -1.134 1.00 13.20 H new ATOM 0 HD2 PHE A 21 -9.487 5.436 0.554 1.00 71.14 H new ATOM 0 HE1 PHE A 21 -10.406 10.236 1.131 1.00 32.25 H new ATOM 0 HE2 PHE A 21 -9.769 6.375 2.795 1.00 71.30 H new ATOM 0 HZ PHE A 21 -10.238 8.759 3.087 1.00 24.51 H new ATOM 366 N PRO A 22 -11.637 5.861 -4.954 1.00 72.44 N ATOM 367 CA PRO A 22 -11.469 5.150 -6.254 1.00 72.14 C ATOM 368 C PRO A 22 -10.335 5.742 -7.135 1.00 55.40 C ATOM 369 O PRO A 22 -10.016 5.188 -8.196 1.00 5.32 O ATOM 370 CB PRO A 22 -12.856 5.342 -6.912 1.00 4.23 C ATOM 371 CG PRO A 22 -13.336 6.669 -6.394 1.00 2.22 C ATOM 372 CD PRO A 22 -12.840 6.750 -4.965 1.00 22.52 C ATOM 0 HA PRO A 22 -11.173 4.109 -6.126 1.00 72.14 H new ATOM 0 HB2 PRO A 22 -12.783 5.343 -8.000 1.00 4.23 H new ATOM 0 HB3 PRO A 22 -13.540 4.538 -6.639 1.00 4.23 H new ATOM 0 HG2 PRO A 22 -12.942 7.490 -6.993 1.00 2.22 H new ATOM 0 HG3 PRO A 22 -14.423 6.737 -6.436 1.00 2.22 H new ATOM 0 HD2 PRO A 22 -12.584 7.773 -4.688 1.00 22.52 H new ATOM 0 HD3 PRO A 22 -13.597 6.408 -4.259 1.00 22.52 H new ATOM 380 N GLN A 23 -9.738 6.871 -6.676 1.00 11.33 N ATOM 381 CA GLN A 23 -8.678 7.593 -7.417 1.00 12.45 C ATOM 382 C GLN A 23 -7.288 6.972 -7.161 1.00 0.42 C ATOM 383 O GLN A 23 -6.362 7.176 -7.952 1.00 11.21 O ATOM 384 CB GLN A 23 -8.640 9.117 -7.047 1.00 14.34 C ATOM 385 CG GLN A 23 -8.185 9.453 -5.594 1.00 32.23 C ATOM 386 CD GLN A 23 -9.306 9.467 -4.551 1.00 33.30 C ATOM 387 OE1 GLN A 23 -10.352 8.845 -4.721 1.00 21.12 O ATOM 388 NE2 GLN A 23 -9.074 10.144 -3.435 1.00 31.50 N ATOM 0 H GLN A 23 -9.979 7.304 -5.784 1.00 11.33 H new ATOM 0 HA GLN A 23 -8.923 7.497 -8.475 1.00 12.45 H new ATOM 0 HB2 GLN A 23 -7.971 9.624 -7.743 1.00 14.34 H new ATOM 0 HB3 GLN A 23 -9.635 9.534 -7.201 1.00 14.34 H new ATOM 0 HG2 GLN A 23 -7.433 8.726 -5.288 1.00 32.23 H new ATOM 0 HG3 GLN A 23 -7.701 10.429 -5.598 1.00 32.23 H new ATOM 0 HE21 GLN A 23 -8.197 10.652 -3.320 1.00 31.50 H new ATOM 0 HE22 GLN A 23 -9.772 10.157 -2.692 1.00 31.50 H new ATOM 397 N VAL A 24 -7.152 6.245 -6.033 1.00 30.25 N ATOM 398 CA VAL A 24 -5.885 5.588 -5.639 1.00 21.11 C ATOM 399 C VAL A 24 -5.941 4.090 -5.992 1.00 32.45 C ATOM 400 O VAL A 24 -7.025 3.485 -5.981 1.00 31.14 O ATOM 401 CB VAL A 24 -5.569 5.777 -4.098 1.00 13.21 C ATOM 402 CG1 VAL A 24 -5.507 7.275 -3.714 1.00 41.41 C ATOM 403 CG2 VAL A 24 -6.569 5.020 -3.193 1.00 4.55 C ATOM 0 H VAL A 24 -7.913 6.096 -5.371 1.00 30.25 H new ATOM 0 HA VAL A 24 -5.078 6.065 -6.195 1.00 21.11 H new ATOM 0 HB VAL A 24 -4.586 5.339 -3.928 1.00 13.21 H new ATOM 0 HG11 VAL A 24 -5.288 7.369 -2.650 1.00 41.41 H new ATOM 0 HG12 VAL A 24 -4.723 7.766 -4.290 1.00 41.41 H new ATOM 0 HG13 VAL A 24 -6.466 7.746 -3.931 1.00 41.41 H new ATOM 0 HG21 VAL A 24 -6.308 5.182 -2.147 1.00 4.55 H new ATOM 0 HG22 VAL A 24 -7.578 5.390 -3.377 1.00 4.55 H new ATOM 0 HG23 VAL A 24 -6.527 3.954 -3.416 1.00 4.55 H new ATOM 413 N GLU A 25 -4.777 3.496 -6.318 1.00 5.11 N ATOM 414 CA GLU A 25 -4.676 2.064 -6.665 1.00 42.30 C ATOM 415 C GLU A 25 -4.352 1.237 -5.418 1.00 43.04 C ATOM 416 O GLU A 25 -3.272 1.357 -4.843 1.00 11.11 O ATOM 417 CB GLU A 25 -3.628 1.834 -7.791 1.00 62.53 C ATOM 418 CG GLU A 25 -4.070 2.362 -9.174 1.00 62.54 C ATOM 419 CD GLU A 25 -5.406 1.757 -9.657 1.00 62.22 C ATOM 420 OE1 GLU A 25 -5.426 0.562 -10.024 1.00 22.42 O ATOM 421 OE2 GLU A 25 -6.434 2.463 -9.654 1.00 14.25 O ATOM 0 H GLU A 25 -3.885 3.991 -6.348 1.00 5.11 H new ATOM 0 HA GLU A 25 -5.640 1.732 -7.049 1.00 42.30 H new ATOM 0 HB2 GLU A 25 -2.694 2.320 -7.509 1.00 62.53 H new ATOM 0 HB3 GLU A 25 -3.422 0.767 -7.869 1.00 62.53 H new ATOM 0 HG2 GLU A 25 -4.165 3.447 -9.128 1.00 62.54 H new ATOM 0 HG3 GLU A 25 -3.293 2.141 -9.906 1.00 62.54 H new ATOM 428 N VAL A 26 -5.321 0.407 -5.001 1.00 71.52 N ATOM 429 CA VAL A 26 -5.214 -0.435 -3.808 1.00 4.53 C ATOM 430 C VAL A 26 -4.890 -1.874 -4.228 1.00 3.54 C ATOM 431 O VAL A 26 -5.685 -2.522 -4.926 1.00 71.00 O ATOM 432 CB VAL A 26 -6.541 -0.390 -2.971 1.00 73.31 C ATOM 433 CG1 VAL A 26 -6.428 -1.205 -1.662 1.00 51.00 C ATOM 434 CG2 VAL A 26 -6.944 1.076 -2.688 1.00 24.33 C ATOM 0 H VAL A 26 -6.209 0.303 -5.491 1.00 71.52 H new ATOM 0 HA VAL A 26 -4.411 -0.055 -3.177 1.00 4.53 H new ATOM 0 HB VAL A 26 -7.327 -0.858 -3.564 1.00 73.31 H new ATOM 0 HG11 VAL A 26 -7.369 -1.146 -1.114 1.00 51.00 H new ATOM 0 HG12 VAL A 26 -6.211 -2.246 -1.899 1.00 51.00 H new ATOM 0 HG13 VAL A 26 -5.625 -0.798 -1.048 1.00 51.00 H new ATOM 0 HG21 VAL A 26 -7.866 1.094 -2.107 1.00 24.33 H new ATOM 0 HG22 VAL A 26 -6.151 1.569 -2.126 1.00 24.33 H new ATOM 0 HG23 VAL A 26 -7.100 1.599 -3.631 1.00 24.33 H new ATOM 444 N ARG A 27 -3.706 -2.352 -3.824 1.00 44.35 N ATOM 445 CA ARG A 27 -3.179 -3.667 -4.208 1.00 20.21 C ATOM 446 C ARG A 27 -3.261 -4.649 -3.041 1.00 52.22 C ATOM 447 O ARG A 27 -2.826 -4.336 -1.935 1.00 54.51 O ATOM 448 CB ARG A 27 -1.713 -3.523 -4.688 1.00 11.41 C ATOM 449 CG ARG A 27 -1.514 -2.716 -5.990 1.00 51.55 C ATOM 450 CD ARG A 27 -2.273 -3.304 -7.198 1.00 64.31 C ATOM 451 NE ARG A 27 -3.707 -2.936 -7.216 1.00 73.40 N ATOM 452 CZ ARG A 27 -4.258 -2.014 -8.020 1.00 70.12 C ATOM 453 NH1 ARG A 27 -3.527 -1.366 -8.917 1.00 42.11 N ATOM 454 NH2 ARG A 27 -5.545 -1.733 -7.914 1.00 71.12 N ATOM 0 H ARG A 27 -3.079 -1.829 -3.213 1.00 44.35 H new ATOM 0 HA ARG A 27 -3.786 -4.061 -5.023 1.00 20.21 H new ATOM 0 HB2 ARG A 27 -1.135 -3.048 -3.895 1.00 11.41 H new ATOM 0 HB3 ARG A 27 -1.297 -4.520 -4.832 1.00 11.41 H new ATOM 0 HG2 ARG A 27 -1.845 -1.690 -5.827 1.00 51.55 H new ATOM 0 HG3 ARG A 27 -0.450 -2.675 -6.224 1.00 51.55 H new ATOM 0 HD2 ARG A 27 -1.803 -2.958 -8.119 1.00 64.31 H new ATOM 0 HD3 ARG A 27 -2.183 -4.390 -7.183 1.00 64.31 H new ATOM 0 HE ARG A 27 -4.325 -3.422 -6.566 1.00 73.40 H new ATOM 0 HH11 ARG A 27 -2.530 -1.566 -9.003 1.00 42.11 H new ATOM 0 HH12 ARG A 27 -3.961 -0.668 -9.521 1.00 42.11 H new ATOM 0 HH21 ARG A 27 -6.117 -2.217 -7.222 1.00 71.12 H new ATOM 0 HH22 ARG A 27 -5.966 -1.032 -8.524 1.00 71.12 H new ATOM 468 N LEU A 28 -3.820 -5.835 -3.311 1.00 41.13 N ATOM 469 CA LEU A 28 -3.931 -6.926 -2.335 1.00 45.34 C ATOM 470 C LEU A 28 -2.636 -7.756 -2.332 1.00 51.23 C ATOM 471 O LEU A 28 -1.993 -7.907 -3.371 1.00 64.21 O ATOM 472 CB LEU A 28 -5.144 -7.823 -2.690 1.00 50.24 C ATOM 473 CG LEU A 28 -5.462 -8.978 -1.691 1.00 54.14 C ATOM 474 CD1 LEU A 28 -5.770 -8.435 -0.289 1.00 43.31 C ATOM 475 CD2 LEU A 28 -6.610 -9.867 -2.207 1.00 2.22 C ATOM 0 H LEU A 28 -4.212 -6.067 -4.224 1.00 41.13 H new ATOM 0 HA LEU A 28 -4.081 -6.507 -1.340 1.00 45.34 H new ATOM 0 HB2 LEU A 28 -6.027 -7.189 -2.773 1.00 50.24 H new ATOM 0 HB3 LEU A 28 -4.971 -8.259 -3.674 1.00 50.24 H new ATOM 0 HG LEU A 28 -4.570 -9.600 -1.617 1.00 54.14 H new ATOM 0 HD11 LEU A 28 -5.987 -9.265 0.383 1.00 43.31 H new ATOM 0 HD12 LEU A 28 -4.908 -7.882 0.084 1.00 43.31 H new ATOM 0 HD13 LEU A 28 -6.634 -7.772 -0.337 1.00 43.31 H new ATOM 0 HD21 LEU A 28 -6.806 -10.662 -1.487 1.00 2.22 H new ATOM 0 HD22 LEU A 28 -7.508 -9.263 -2.335 1.00 2.22 H new ATOM 0 HD23 LEU A 28 -6.328 -10.306 -3.164 1.00 2.22 H new ATOM 487 N VAL A 29 -2.247 -8.250 -1.147 1.00 62.13 N ATOM 488 CA VAL A 29 -1.149 -9.210 -0.987 1.00 22.10 C ATOM 489 C VAL A 29 -1.687 -10.460 -0.275 1.00 70.24 C ATOM 490 O VAL A 29 -2.012 -10.424 0.922 1.00 14.33 O ATOM 491 CB VAL A 29 0.070 -8.594 -0.199 1.00 3.01 C ATOM 492 CG1 VAL A 29 1.152 -9.655 0.115 1.00 64.03 C ATOM 493 CG2 VAL A 29 0.685 -7.411 -0.981 1.00 24.35 C ATOM 0 H VAL A 29 -2.691 -7.991 -0.266 1.00 62.13 H new ATOM 0 HA VAL A 29 -0.773 -9.477 -1.974 1.00 22.10 H new ATOM 0 HB VAL A 29 -0.314 -8.226 0.752 1.00 3.01 H new ATOM 0 HG11 VAL A 29 1.973 -9.187 0.658 1.00 64.03 H new ATOM 0 HG12 VAL A 29 0.718 -10.448 0.725 1.00 64.03 H new ATOM 0 HG13 VAL A 29 1.528 -10.078 -0.817 1.00 64.03 H new ATOM 0 HG21 VAL A 29 1.524 -7.001 -0.419 1.00 24.35 H new ATOM 0 HG22 VAL A 29 1.034 -7.760 -1.953 1.00 24.35 H new ATOM 0 HG23 VAL A 29 -0.069 -6.637 -1.123 1.00 24.35 H new ATOM 503 N THR A 30 -1.839 -11.539 -1.048 1.00 71.00 N ATOM 504 CA THR A 30 -2.208 -12.868 -0.542 1.00 51.15 C ATOM 505 C THR A 30 -0.934 -13.704 -0.338 1.00 23.32 C ATOM 506 O THR A 30 -0.760 -14.371 0.685 1.00 4.32 O ATOM 507 CB THR A 30 -3.157 -13.595 -1.550 1.00 21.44 C ATOM 508 OG1 THR A 30 -2.536 -13.653 -2.851 1.00 42.20 O ATOM 509 CG2 THR A 30 -4.520 -12.892 -1.682 1.00 35.23 C ATOM 0 H THR A 30 -1.707 -11.515 -2.059 1.00 71.00 H new ATOM 0 HA THR A 30 -2.732 -12.753 0.407 1.00 51.15 H new ATOM 0 HB THR A 30 -3.330 -14.598 -1.160 1.00 21.44 H new ATOM 0 HG1 THR A 30 -3.134 -14.111 -3.479 1.00 42.20 H new ATOM 0 HG21 THR A 30 -5.142 -13.435 -2.393 1.00 35.23 H new ATOM 0 HG22 THR A 30 -5.014 -12.870 -0.710 1.00 35.23 H new ATOM 0 HG23 THR A 30 -4.371 -11.872 -2.036 1.00 35.23 H new ATOM 517 N THR A 31 -0.038 -13.632 -1.336 1.00 64.34 N ATOM 518 CA THR A 31 1.208 -14.420 -1.402 1.00 24.00 C ATOM 519 C THR A 31 2.427 -13.479 -1.537 1.00 42.21 C ATOM 520 O THR A 31 2.257 -12.261 -1.713 1.00 50.24 O ATOM 521 CB THR A 31 1.150 -15.402 -2.621 1.00 21.44 C ATOM 522 OG1 THR A 31 0.948 -14.668 -3.840 1.00 62.12 O ATOM 523 CG2 THR A 31 0.029 -16.458 -2.477 1.00 72.24 C ATOM 0 H THR A 31 -0.160 -13.012 -2.137 1.00 64.34 H new ATOM 0 HA THR A 31 1.312 -14.997 -0.483 1.00 24.00 H new ATOM 0 HB THR A 31 2.105 -15.927 -2.648 1.00 21.44 H new ATOM 0 HG1 THR A 31 0.915 -15.291 -4.596 1.00 62.12 H new ATOM 0 HG21 THR A 31 0.032 -17.113 -3.348 1.00 72.24 H new ATOM 0 HG22 THR A 31 0.200 -17.049 -1.577 1.00 72.24 H new ATOM 0 HG23 THR A 31 -0.936 -15.957 -2.404 1.00 72.24 H new ATOM 531 N GLU A 32 3.653 -14.050 -1.433 1.00 75.40 N ATOM 532 CA GLU A 32 4.917 -13.309 -1.633 1.00 73.55 C ATOM 533 C GLU A 32 4.986 -12.720 -3.040 1.00 65.05 C ATOM 534 O GLU A 32 5.267 -11.534 -3.213 1.00 3.12 O ATOM 535 CB GLU A 32 6.156 -14.222 -1.429 1.00 24.40 C ATOM 536 CG GLU A 32 7.495 -13.566 -1.870 1.00 32.43 C ATOM 537 CD GLU A 32 8.690 -14.512 -1.882 1.00 53.52 C ATOM 538 OE1 GLU A 32 8.711 -15.431 -2.720 1.00 3.05 O ATOM 539 OE2 GLU A 32 9.625 -14.324 -1.081 1.00 54.34 O ATOM 0 H GLU A 32 3.790 -15.036 -1.208 1.00 75.40 H new ATOM 0 HA GLU A 32 4.930 -12.511 -0.890 1.00 73.55 H new ATOM 0 HB2 GLU A 32 6.225 -14.496 -0.376 1.00 24.40 H new ATOM 0 HB3 GLU A 32 6.012 -15.146 -1.990 1.00 24.40 H new ATOM 0 HG2 GLU A 32 7.368 -13.149 -2.869 1.00 32.43 H new ATOM 0 HG3 GLU A 32 7.714 -12.733 -1.202 1.00 32.43 H new ATOM 546 N GLU A 33 4.751 -13.589 -4.041 1.00 40.31 N ATOM 547 CA GLU A 33 4.842 -13.216 -5.456 1.00 12.14 C ATOM 548 C GLU A 33 3.795 -12.146 -5.815 1.00 74.34 C ATOM 549 O GLU A 33 4.034 -11.330 -6.695 1.00 40.32 O ATOM 550 CB GLU A 33 4.721 -14.466 -6.364 1.00 60.01 C ATOM 551 CG GLU A 33 5.835 -15.512 -6.133 1.00 41.04 C ATOM 552 CD GLU A 33 5.779 -16.692 -7.118 1.00 35.42 C ATOM 553 OE1 GLU A 33 4.997 -17.636 -6.893 1.00 2.32 O ATOM 554 OE2 GLU A 33 6.509 -16.669 -8.133 1.00 3.02 O ATOM 0 H GLU A 33 4.494 -14.564 -3.888 1.00 40.31 H new ATOM 0 HA GLU A 33 5.825 -12.778 -5.631 1.00 12.14 H new ATOM 0 HB2 GLU A 33 3.752 -14.936 -6.193 1.00 60.01 H new ATOM 0 HB3 GLU A 33 4.742 -14.150 -7.407 1.00 60.01 H new ATOM 0 HG2 GLU A 33 6.805 -15.023 -6.218 1.00 41.04 H new ATOM 0 HG3 GLU A 33 5.759 -15.894 -5.115 1.00 41.04 H new ATOM 561 N ASP A 34 2.661 -12.141 -5.077 1.00 23.43 N ATOM 562 CA ASP A 34 1.616 -11.111 -5.216 1.00 20.31 C ATOM 563 C ASP A 34 2.160 -9.745 -4.751 1.00 21.13 C ATOM 564 O ASP A 34 1.948 -8.725 -5.410 1.00 4.55 O ATOM 565 CB ASP A 34 0.345 -11.512 -4.414 1.00 13.41 C ATOM 566 CG ASP A 34 -0.935 -10.735 -4.777 1.00 41.14 C ATOM 567 OD1 ASP A 34 -0.987 -10.077 -5.845 1.00 64.12 O ATOM 568 OD2 ASP A 34 -1.927 -10.830 -4.017 1.00 10.23 O ATOM 0 H ASP A 34 2.449 -12.848 -4.373 1.00 23.43 H new ATOM 0 HA ASP A 34 1.334 -11.029 -6.266 1.00 20.31 H new ATOM 0 HB2 ASP A 34 0.160 -12.575 -4.566 1.00 13.41 H new ATOM 0 HB3 ASP A 34 0.546 -11.372 -3.352 1.00 13.41 H new ATOM 573 N ALA A 35 2.913 -9.766 -3.630 1.00 42.23 N ATOM 574 CA ALA A 35 3.624 -8.580 -3.115 1.00 3.52 C ATOM 575 C ALA A 35 4.688 -8.088 -4.115 1.00 20.31 C ATOM 576 O ALA A 35 4.861 -6.887 -4.280 1.00 30.23 O ATOM 577 CB ALA A 35 4.268 -8.876 -1.756 1.00 44.14 C ATOM 0 H ALA A 35 3.044 -10.602 -3.060 1.00 42.23 H new ATOM 0 HA ALA A 35 2.888 -7.787 -2.985 1.00 3.52 H new ATOM 0 HB1 ALA A 35 4.786 -7.987 -1.397 1.00 44.14 H new ATOM 0 HB2 ALA A 35 3.495 -9.159 -1.041 1.00 44.14 H new ATOM 0 HB3 ALA A 35 4.981 -9.693 -1.862 1.00 44.14 H new ATOM 583 N LYS A 36 5.380 -9.038 -4.787 1.00 55.23 N ATOM 584 CA LYS A 36 6.404 -8.729 -5.811 1.00 55.31 C ATOM 585 C LYS A 36 5.779 -8.010 -7.029 1.00 64.32 C ATOM 586 O LYS A 36 6.418 -7.130 -7.626 1.00 51.34 O ATOM 587 CB LYS A 36 7.124 -10.028 -6.261 1.00 3.12 C ATOM 588 CG LYS A 36 7.916 -10.751 -5.143 1.00 73.25 C ATOM 589 CD LYS A 36 8.553 -12.083 -5.628 1.00 20.10 C ATOM 590 CE LYS A 36 9.558 -11.882 -6.778 1.00 45.21 C ATOM 591 NZ LYS A 36 10.083 -13.168 -7.317 1.00 31.14 N ATOM 0 H LYS A 36 5.244 -10.037 -4.635 1.00 55.23 H new ATOM 0 HA LYS A 36 7.136 -8.056 -5.364 1.00 55.31 H new ATOM 0 HB2 LYS A 36 6.382 -10.717 -6.665 1.00 3.12 H new ATOM 0 HB3 LYS A 36 7.809 -9.785 -7.073 1.00 3.12 H new ATOM 0 HG2 LYS A 36 8.701 -10.091 -4.773 1.00 73.25 H new ATOM 0 HG3 LYS A 36 7.250 -10.955 -4.305 1.00 73.25 H new ATOM 0 HD2 LYS A 36 9.058 -12.565 -4.791 1.00 20.10 H new ATOM 0 HD3 LYS A 36 7.764 -12.759 -5.956 1.00 20.10 H new ATOM 0 HE2 LYS A 36 9.076 -11.326 -7.582 1.00 45.21 H new ATOM 0 HE3 LYS A 36 10.391 -11.274 -6.424 1.00 45.21 H new ATOM 0 HZ1 LYS A 36 10.754 -12.973 -8.087 1.00 31.14 H new ATOM 0 HZ2 LYS A 36 10.568 -13.690 -6.559 1.00 31.14 H new ATOM 0 HZ3 LYS A 36 9.294 -13.740 -7.681 1.00 31.14 H new ATOM 605 N GLN A 37 4.525 -8.397 -7.372 1.00 75.43 N ATOM 606 CA GLN A 37 3.720 -7.729 -8.422 1.00 62.54 C ATOM 607 C GLN A 37 3.467 -6.263 -8.036 1.00 64.21 C ATOM 608 O GLN A 37 3.635 -5.350 -8.856 1.00 13.22 O ATOM 609 CB GLN A 37 2.351 -8.441 -8.621 1.00 24.04 C ATOM 610 CG GLN A 37 2.419 -9.935 -8.982 1.00 35.20 C ATOM 611 CD GLN A 37 1.042 -10.612 -8.981 1.00 74.00 C ATOM 612 OE1 GLN A 37 0.031 -10.000 -9.323 1.00 0.01 O ATOM 613 NE2 GLN A 37 0.980 -11.861 -8.553 1.00 73.21 N ATOM 0 H GLN A 37 4.045 -9.180 -6.928 1.00 75.43 H new ATOM 0 HA GLN A 37 4.282 -7.780 -9.354 1.00 62.54 H new ATOM 0 HB2 GLN A 37 1.771 -8.334 -7.704 1.00 24.04 H new ATOM 0 HB3 GLN A 37 1.804 -7.921 -9.407 1.00 24.04 H new ATOM 0 HG2 GLN A 37 2.872 -10.045 -9.967 1.00 35.20 H new ATOM 0 HG3 GLN A 37 3.070 -10.446 -8.273 1.00 35.20 H new ATOM 0 HE21 GLN A 37 1.832 -12.348 -8.275 1.00 73.21 H new ATOM 0 HE22 GLN A 37 0.080 -12.338 -8.501 1.00 73.21 H new ATOM 622 N VAL A 38 3.068 -6.074 -6.761 1.00 50.23 N ATOM 623 CA VAL A 38 2.806 -4.751 -6.176 1.00 73.55 C ATOM 624 C VAL A 38 4.058 -3.842 -6.236 1.00 12.03 C ATOM 625 O VAL A 38 3.964 -2.695 -6.670 1.00 71.24 O ATOM 626 CB VAL A 38 2.329 -4.875 -4.681 1.00 2.53 C ATOM 627 CG1 VAL A 38 2.037 -3.495 -4.072 1.00 55.23 C ATOM 628 CG2 VAL A 38 1.099 -5.800 -4.550 1.00 53.12 C ATOM 0 H VAL A 38 2.919 -6.843 -6.108 1.00 50.23 H new ATOM 0 HA VAL A 38 2.013 -4.297 -6.771 1.00 73.55 H new ATOM 0 HB VAL A 38 3.147 -5.328 -4.120 1.00 2.53 H new ATOM 0 HG11 VAL A 38 1.710 -3.615 -3.039 1.00 55.23 H new ATOM 0 HG12 VAL A 38 2.941 -2.887 -4.098 1.00 55.23 H new ATOM 0 HG13 VAL A 38 1.252 -3.003 -4.646 1.00 55.23 H new ATOM 0 HG21 VAL A 38 0.799 -5.861 -3.504 1.00 53.12 H new ATOM 0 HG22 VAL A 38 0.276 -5.397 -5.141 1.00 53.12 H new ATOM 0 HG23 VAL A 38 1.352 -6.796 -4.913 1.00 53.12 H new ATOM 638 N ILE A 39 5.222 -4.400 -5.823 1.00 1.11 N ATOM 639 CA ILE A 39 6.504 -3.662 -5.723 1.00 65.24 C ATOM 640 C ILE A 39 6.901 -3.034 -7.076 1.00 44.45 C ATOM 641 O ILE A 39 7.290 -1.860 -7.139 1.00 75.13 O ATOM 642 CB ILE A 39 7.664 -4.612 -5.208 1.00 12.25 C ATOM 643 CG1 ILE A 39 7.370 -5.104 -3.757 1.00 0.14 C ATOM 644 CG2 ILE A 39 9.050 -3.926 -5.283 1.00 74.34 C ATOM 645 CD1 ILE A 39 8.326 -6.162 -3.225 1.00 3.02 C ATOM 0 H ILE A 39 5.298 -5.379 -5.549 1.00 1.11 H new ATOM 0 HA ILE A 39 6.359 -2.858 -5.002 1.00 65.24 H new ATOM 0 HB ILE A 39 7.694 -5.477 -5.871 1.00 12.25 H new ATOM 0 HG12 ILE A 39 7.395 -4.245 -3.087 1.00 0.14 H new ATOM 0 HG13 ILE A 39 6.356 -5.504 -3.724 1.00 0.14 H new ATOM 0 HG21 ILE A 39 9.816 -4.612 -4.921 1.00 74.34 H new ATOM 0 HG22 ILE A 39 9.266 -3.654 -6.316 1.00 74.34 H new ATOM 0 HG23 ILE A 39 9.046 -3.028 -4.665 1.00 74.34 H new ATOM 0 HD11 ILE A 39 8.037 -6.437 -2.211 1.00 3.02 H new ATOM 0 HD12 ILE A 39 8.286 -7.043 -3.865 1.00 3.02 H new ATOM 0 HD13 ILE A 39 9.341 -5.765 -3.218 1.00 3.02 H new ATOM 657 N LYS A 40 6.756 -3.827 -8.154 1.00 54.24 N ATOM 658 CA LYS A 40 7.091 -3.387 -9.516 1.00 25.33 C ATOM 659 C LYS A 40 6.102 -2.312 -10.007 1.00 55.51 C ATOM 660 O LYS A 40 6.493 -1.391 -10.724 1.00 43.30 O ATOM 661 CB LYS A 40 7.112 -4.593 -10.486 1.00 52.34 C ATOM 662 CG LYS A 40 8.167 -5.658 -10.131 1.00 63.01 C ATOM 663 CD LYS A 40 8.125 -6.879 -11.077 1.00 11.23 C ATOM 664 CE LYS A 40 9.136 -7.960 -10.675 1.00 41.31 C ATOM 665 NZ LYS A 40 9.015 -9.180 -11.517 1.00 65.00 N ATOM 0 H LYS A 40 6.406 -4.784 -8.104 1.00 54.24 H new ATOM 0 HA LYS A 40 8.087 -2.944 -9.494 1.00 25.33 H new ATOM 0 HB2 LYS A 40 6.127 -5.059 -10.493 1.00 52.34 H new ATOM 0 HB3 LYS A 40 7.300 -4.231 -11.497 1.00 52.34 H new ATOM 0 HG2 LYS A 40 9.159 -5.208 -10.170 1.00 63.01 H new ATOM 0 HG3 LYS A 40 8.009 -5.993 -9.106 1.00 63.01 H new ATOM 0 HD2 LYS A 40 7.121 -7.304 -11.074 1.00 11.23 H new ATOM 0 HD3 LYS A 40 8.330 -6.553 -12.097 1.00 11.23 H new ATOM 0 HE2 LYS A 40 10.146 -7.560 -10.760 1.00 41.31 H new ATOM 0 HE3 LYS A 40 8.985 -8.226 -9.629 1.00 41.31 H new ATOM 0 HZ1 LYS A 40 9.717 -9.884 -11.211 1.00 65.00 H new ATOM 0 HZ2 LYS A 40 8.059 -9.577 -11.417 1.00 65.00 H new ATOM 0 HZ3 LYS A 40 9.185 -8.933 -12.513 1.00 65.00 H new ATOM 679 N GLU A 41 4.823 -2.431 -9.584 1.00 32.33 N ATOM 680 CA GLU A 41 3.769 -1.474 -9.957 1.00 65.34 C ATOM 681 C GLU A 41 3.994 -0.100 -9.286 1.00 34.45 C ATOM 682 O GLU A 41 3.768 0.953 -9.901 1.00 21.24 O ATOM 683 CB GLU A 41 2.368 -2.016 -9.582 1.00 62.31 C ATOM 684 CG GLU A 41 1.236 -1.130 -10.122 1.00 43.22 C ATOM 685 CD GLU A 41 -0.156 -1.475 -9.618 1.00 3.23 C ATOM 686 OE1 GLU A 41 -0.686 -2.530 -10.008 1.00 60.25 O ATOM 687 OE2 GLU A 41 -0.745 -0.666 -8.858 1.00 60.03 O ATOM 0 H GLU A 41 4.500 -3.187 -8.981 1.00 32.33 H new ATOM 0 HA GLU A 41 3.819 -1.345 -11.038 1.00 65.34 H new ATOM 0 HB2 GLU A 41 2.255 -3.026 -9.975 1.00 62.31 H new ATOM 0 HB3 GLU A 41 2.286 -2.085 -8.497 1.00 62.31 H new ATOM 0 HG2 GLU A 41 1.452 -0.094 -9.862 1.00 43.22 H new ATOM 0 HG3 GLU A 41 1.236 -1.192 -11.210 1.00 43.22 H new ATOM 694 N ILE A 42 4.432 -0.141 -8.015 1.00 73.14 N ATOM 695 CA ILE A 42 4.846 1.045 -7.245 1.00 34.22 C ATOM 696 C ILE A 42 5.953 1.812 -8.003 1.00 5.45 C ATOM 697 O ILE A 42 5.881 3.034 -8.171 1.00 63.32 O ATOM 698 CB ILE A 42 5.354 0.616 -5.811 1.00 65.41 C ATOM 699 CG1 ILE A 42 4.192 -0.008 -4.967 1.00 23.43 C ATOM 700 CG2 ILE A 42 6.002 1.801 -5.070 1.00 3.31 C ATOM 701 CD1 ILE A 42 4.626 -0.635 -3.645 1.00 52.25 C ATOM 0 H ILE A 42 4.509 -1.010 -7.487 1.00 73.14 H new ATOM 0 HA ILE A 42 3.986 1.704 -7.125 1.00 34.22 H new ATOM 0 HB ILE A 42 6.119 -0.148 -5.945 1.00 65.41 H new ATOM 0 HG12 ILE A 42 3.455 0.768 -4.760 1.00 23.43 H new ATOM 0 HG13 ILE A 42 3.694 -0.769 -5.568 1.00 23.43 H new ATOM 0 HG21 ILE A 42 6.341 1.474 -4.087 1.00 3.31 H new ATOM 0 HG22 ILE A 42 6.853 2.168 -5.644 1.00 3.31 H new ATOM 0 HG23 ILE A 42 5.271 2.601 -4.954 1.00 3.31 H new ATOM 0 HD11 ILE A 42 3.754 -1.040 -3.131 1.00 52.25 H new ATOM 0 HD12 ILE A 42 5.338 -1.437 -3.839 1.00 52.25 H new ATOM 0 HD13 ILE A 42 5.096 0.124 -3.019 1.00 52.25 H new ATOM 713 N GLN A 43 6.944 1.048 -8.498 1.00 0.40 N ATOM 714 CA GLN A 43 8.080 1.586 -9.260 1.00 54.13 C ATOM 715 C GLN A 43 7.633 2.128 -10.632 1.00 21.14 C ATOM 716 O GLN A 43 8.200 3.108 -11.126 1.00 41.44 O ATOM 717 CB GLN A 43 9.172 0.497 -9.415 1.00 62.04 C ATOM 718 CG GLN A 43 9.774 0.036 -8.071 1.00 15.12 C ATOM 719 CD GLN A 43 10.812 -1.076 -8.199 1.00 32.04 C ATOM 720 OE1 GLN A 43 11.502 -1.201 -9.212 1.00 1.14 O ATOM 721 NE2 GLN A 43 10.941 -1.885 -7.162 1.00 31.32 N ATOM 0 H GLN A 43 6.977 0.036 -8.379 1.00 0.40 H new ATOM 0 HA GLN A 43 8.500 2.426 -8.707 1.00 54.13 H new ATOM 0 HB2 GLN A 43 8.745 -0.365 -9.928 1.00 62.04 H new ATOM 0 HB3 GLN A 43 9.971 0.882 -10.049 1.00 62.04 H new ATOM 0 HG2 GLN A 43 10.235 0.893 -7.579 1.00 15.12 H new ATOM 0 HG3 GLN A 43 8.968 -0.308 -7.423 1.00 15.12 H new ATOM 0 HE21 GLN A 43 10.354 -1.755 -6.338 1.00 31.32 H new ATOM 0 HE22 GLN A 43 11.627 -2.639 -7.186 1.00 31.32 H new ATOM 730 N LYS A 44 6.596 1.489 -11.217 1.00 55.51 N ATOM 731 CA LYS A 44 6.003 1.904 -12.504 1.00 41.23 C ATOM 732 C LYS A 44 5.402 3.318 -12.398 1.00 35.41 C ATOM 733 O LYS A 44 5.725 4.196 -13.201 1.00 30.34 O ATOM 734 CB LYS A 44 4.917 0.877 -12.946 1.00 74.51 C ATOM 735 CG LYS A 44 4.189 1.198 -14.278 1.00 54.14 C ATOM 736 CD LYS A 44 5.120 1.133 -15.510 1.00 13.34 C ATOM 737 CE LYS A 44 4.380 1.425 -16.829 1.00 60.45 C ATOM 738 NZ LYS A 44 3.775 2.784 -16.856 1.00 62.05 N ATOM 0 H LYS A 44 6.147 0.670 -10.808 1.00 55.51 H new ATOM 0 HA LYS A 44 6.790 1.929 -13.258 1.00 41.23 H new ATOM 0 HB2 LYS A 44 5.386 -0.103 -13.037 1.00 74.51 H new ATOM 0 HB3 LYS A 44 4.171 0.802 -12.155 1.00 74.51 H new ATOM 0 HG2 LYS A 44 3.367 0.495 -14.414 1.00 54.14 H new ATOM 0 HG3 LYS A 44 3.750 2.194 -14.214 1.00 54.14 H new ATOM 0 HD2 LYS A 44 5.931 1.851 -15.386 1.00 13.34 H new ATOM 0 HD3 LYS A 44 5.575 0.144 -15.565 1.00 13.34 H new ATOM 0 HE2 LYS A 44 5.076 1.324 -17.662 1.00 60.45 H new ATOM 0 HE3 LYS A 44 3.598 0.680 -16.975 1.00 60.45 H new ATOM 0 HZ1 LYS A 44 3.378 2.969 -17.799 1.00 62.05 H new ATOM 0 HZ2 LYS A 44 3.019 2.841 -16.145 1.00 62.05 H new ATOM 0 HZ3 LYS A 44 4.505 3.493 -16.643 1.00 62.05 H new ATOM 752 N LYS A 45 4.568 3.537 -11.366 1.00 71.33 N ATOM 753 CA LYS A 45 3.911 4.840 -11.127 1.00 10.14 C ATOM 754 C LYS A 45 4.892 5.869 -10.542 1.00 54.52 C ATOM 755 O LYS A 45 4.646 7.075 -10.643 1.00 2.34 O ATOM 756 CB LYS A 45 2.672 4.676 -10.177 1.00 55.32 C ATOM 757 CG LYS A 45 1.294 4.678 -10.869 1.00 22.02 C ATOM 758 CD LYS A 45 1.076 3.477 -11.805 1.00 25.41 C ATOM 759 CE LYS A 45 0.934 2.153 -11.056 1.00 32.02 C ATOM 760 NZ LYS A 45 -0.265 2.102 -10.164 1.00 54.25 N ATOM 0 H LYS A 45 4.330 2.823 -10.677 1.00 71.33 H new ATOM 0 HA LYS A 45 3.567 5.211 -12.093 1.00 10.14 H new ATOM 0 HB2 LYS A 45 2.780 3.741 -9.627 1.00 55.32 H new ATOM 0 HB3 LYS A 45 2.691 5.482 -9.443 1.00 55.32 H new ATOM 0 HG2 LYS A 45 0.514 4.682 -10.108 1.00 22.02 H new ATOM 0 HG3 LYS A 45 1.185 5.599 -11.441 1.00 22.02 H new ATOM 0 HD2 LYS A 45 0.181 3.647 -12.403 1.00 25.41 H new ATOM 0 HD3 LYS A 45 1.914 3.407 -12.499 1.00 25.41 H new ATOM 0 HE2 LYS A 45 0.875 1.339 -11.779 1.00 32.02 H new ATOM 0 HE3 LYS A 45 1.830 1.984 -10.459 1.00 32.02 H new ATOM 0 HZ1 LYS A 45 -0.370 1.142 -9.778 1.00 54.25 H new ATOM 0 HZ2 LYS A 45 -0.146 2.778 -9.383 1.00 54.25 H new ATOM 0 HZ3 LYS A 45 -1.115 2.350 -10.710 1.00 54.25 H new ATOM 774 N GLY A 46 5.981 5.379 -9.918 1.00 43.31 N ATOM 775 CA GLY A 46 6.921 6.247 -9.212 1.00 22.42 C ATOM 776 C GLY A 46 6.319 6.786 -7.924 1.00 72.12 C ATOM 777 O GLY A 46 6.387 7.990 -7.634 1.00 50.44 O ATOM 0 H GLY A 46 6.224 4.389 -9.893 1.00 43.31 H new ATOM 0 HA2 GLY A 46 7.831 5.692 -8.985 1.00 22.42 H new ATOM 0 HA3 GLY A 46 7.207 7.078 -9.857 1.00 22.42 H new ATOM 781 N VAL A 47 5.699 5.868 -7.173 1.00 71.11 N ATOM 782 CA VAL A 47 4.980 6.173 -5.934 1.00 64.24 C ATOM 783 C VAL A 47 6.006 6.388 -4.827 1.00 51.12 C ATOM 784 O VAL A 47 6.689 5.450 -4.422 1.00 24.33 O ATOM 785 CB VAL A 47 4.012 4.991 -5.571 1.00 11.35 C ATOM 786 CG1 VAL A 47 3.294 5.187 -4.221 1.00 60.10 C ATOM 787 CG2 VAL A 47 2.997 4.768 -6.698 1.00 65.13 C ATOM 0 H VAL A 47 5.684 4.877 -7.414 1.00 71.11 H new ATOM 0 HA VAL A 47 4.379 7.074 -6.056 1.00 64.24 H new ATOM 0 HB VAL A 47 4.632 4.101 -5.461 1.00 11.35 H new ATOM 0 HG11 VAL A 47 2.641 4.336 -4.030 1.00 60.10 H new ATOM 0 HG12 VAL A 47 4.033 5.264 -3.424 1.00 60.10 H new ATOM 0 HG13 VAL A 47 2.700 6.100 -4.254 1.00 60.10 H new ATOM 0 HG21 VAL A 47 2.333 3.946 -6.432 1.00 65.13 H new ATOM 0 HG22 VAL A 47 2.411 5.675 -6.844 1.00 65.13 H new ATOM 0 HG23 VAL A 47 3.525 4.524 -7.620 1.00 65.13 H new ATOM 797 N GLN A 48 6.132 7.639 -4.388 1.00 53.55 N ATOM 798 CA GLN A 48 7.119 8.047 -3.382 1.00 1.23 C ATOM 799 C GLN A 48 6.715 7.547 -1.985 1.00 73.11 C ATOM 800 O GLN A 48 7.555 7.108 -1.199 1.00 62.11 O ATOM 801 CB GLN A 48 7.263 9.592 -3.406 1.00 24.13 C ATOM 802 CG GLN A 48 7.811 10.157 -4.743 1.00 4.11 C ATOM 803 CD GLN A 48 9.263 9.738 -5.044 1.00 22.52 C ATOM 804 OE1 GLN A 48 10.085 9.575 -4.137 1.00 62.43 O ATOM 805 NE2 GLN A 48 9.593 9.557 -6.314 1.00 62.01 N ATOM 0 H GLN A 48 5.549 8.406 -4.721 1.00 53.55 H new ATOM 0 HA GLN A 48 8.083 7.598 -3.619 1.00 1.23 H new ATOM 0 HB2 GLN A 48 6.289 10.040 -3.207 1.00 24.13 H new ATOM 0 HB3 GLN A 48 7.926 9.897 -2.596 1.00 24.13 H new ATOM 0 HG2 GLN A 48 7.169 9.823 -5.558 1.00 4.11 H new ATOM 0 HG3 GLN A 48 7.754 11.245 -4.718 1.00 4.11 H new ATOM 0 HE21 GLN A 48 8.897 9.697 -7.047 1.00 62.01 H new ATOM 0 HE22 GLN A 48 10.543 9.277 -6.559 1.00 62.01 H new ATOM 814 N LYS A 49 5.410 7.624 -1.702 1.00 25.53 N ATOM 815 CA LYS A 49 4.822 7.256 -0.404 1.00 74.14 C ATOM 816 C LYS A 49 3.819 6.115 -0.592 1.00 45.14 C ATOM 817 O LYS A 49 2.838 6.278 -1.311 1.00 54.12 O ATOM 818 CB LYS A 49 4.126 8.504 0.184 1.00 42.30 C ATOM 819 CG LYS A 49 5.106 9.650 0.540 1.00 61.23 C ATOM 820 CD LYS A 49 4.397 10.980 0.857 1.00 24.41 C ATOM 821 CE LYS A 49 3.643 11.543 -0.355 1.00 55.55 C ATOM 822 NZ LYS A 49 3.231 12.958 -0.147 1.00 42.13 N ATOM 0 H LYS A 49 4.719 7.949 -2.378 1.00 25.53 H new ATOM 0 HA LYS A 49 5.597 6.913 0.281 1.00 74.14 H new ATOM 0 HB2 LYS A 49 3.393 8.873 -0.534 1.00 42.30 H new ATOM 0 HB3 LYS A 49 3.577 8.215 1.080 1.00 42.30 H new ATOM 0 HG2 LYS A 49 5.706 9.352 1.400 1.00 61.23 H new ATOM 0 HG3 LYS A 49 5.794 9.802 -0.292 1.00 61.23 H new ATOM 0 HD2 LYS A 49 3.697 10.829 1.679 1.00 24.41 H new ATOM 0 HD3 LYS A 49 5.133 11.710 1.195 1.00 24.41 H new ATOM 0 HE2 LYS A 49 4.277 11.476 -1.239 1.00 55.55 H new ATOM 0 HE3 LYS A 49 2.761 10.933 -0.548 1.00 55.55 H new ATOM 0 HZ1 LYS A 49 2.831 13.337 -1.029 1.00 42.13 H new ATOM 0 HZ2 LYS A 49 2.514 13.004 0.605 1.00 42.13 H new ATOM 0 HZ3 LYS A 49 4.059 13.524 0.129 1.00 42.13 H new ATOM 836 N VAL A 50 4.078 4.964 0.042 1.00 4.20 N ATOM 837 CA VAL A 50 3.214 3.775 -0.045 1.00 31.02 C ATOM 838 C VAL A 50 2.527 3.523 1.307 1.00 32.21 C ATOM 839 O VAL A 50 3.180 3.557 2.360 1.00 4.11 O ATOM 840 CB VAL A 50 4.051 2.513 -0.473 1.00 41.53 C ATOM 841 CG1 VAL A 50 3.190 1.236 -0.514 1.00 54.22 C ATOM 842 CG2 VAL A 50 4.730 2.756 -1.833 1.00 60.14 C ATOM 0 H VAL A 50 4.898 4.829 0.634 1.00 4.20 H new ATOM 0 HA VAL A 50 2.451 3.955 -0.802 1.00 31.02 H new ATOM 0 HB VAL A 50 4.821 2.358 0.283 1.00 41.53 H new ATOM 0 HG11 VAL A 50 3.808 0.390 -0.814 1.00 54.22 H new ATOM 0 HG12 VAL A 50 2.772 1.047 0.475 1.00 54.22 H new ATOM 0 HG13 VAL A 50 2.380 1.366 -1.232 1.00 54.22 H new ATOM 0 HG21 VAL A 50 5.305 1.874 -2.115 1.00 60.14 H new ATOM 0 HG22 VAL A 50 3.970 2.951 -2.590 1.00 60.14 H new ATOM 0 HG23 VAL A 50 5.397 3.615 -1.759 1.00 60.14 H new ATOM 852 N VAL A 51 1.206 3.268 1.267 1.00 43.35 N ATOM 853 CA VAL A 51 0.408 2.951 2.458 1.00 3.51 C ATOM 854 C VAL A 51 0.423 1.430 2.689 1.00 40.13 C ATOM 855 O VAL A 51 -0.177 0.682 1.919 1.00 45.54 O ATOM 856 CB VAL A 51 -1.083 3.422 2.300 1.00 4.55 C ATOM 857 CG1 VAL A 51 -1.876 3.222 3.605 1.00 13.41 C ATOM 858 CG2 VAL A 51 -1.176 4.879 1.827 1.00 44.14 C ATOM 0 H VAL A 51 0.664 3.277 0.403 1.00 43.35 H new ATOM 0 HA VAL A 51 0.848 3.477 3.305 1.00 3.51 H new ATOM 0 HB VAL A 51 -1.533 2.796 1.529 1.00 4.55 H new ATOM 0 HG11 VAL A 51 -2.903 3.558 3.462 1.00 13.41 H new ATOM 0 HG12 VAL A 51 -1.874 2.166 3.874 1.00 13.41 H new ATOM 0 HG13 VAL A 51 -1.413 3.801 4.404 1.00 13.41 H new ATOM 0 HG21 VAL A 51 -2.224 5.164 1.731 1.00 44.14 H new ATOM 0 HG22 VAL A 51 -0.688 5.529 2.553 1.00 44.14 H new ATOM 0 HG23 VAL A 51 -0.682 4.980 0.860 1.00 44.14 H new ATOM 868 N LEU A 52 1.129 0.982 3.723 1.00 45.23 N ATOM 869 CA LEU A 52 1.190 -0.436 4.097 1.00 71.24 C ATOM 870 C LEU A 52 0.197 -0.715 5.248 1.00 32.01 C ATOM 871 O LEU A 52 0.517 -0.522 6.427 1.00 51.43 O ATOM 872 CB LEU A 52 2.656 -0.785 4.473 1.00 33.24 C ATOM 873 CG LEU A 52 3.695 -0.676 3.302 1.00 35.43 C ATOM 874 CD1 LEU A 52 5.127 -0.951 3.780 1.00 64.11 C ATOM 875 CD2 LEU A 52 3.328 -1.620 2.145 1.00 23.22 C ATOM 0 H LEU A 52 1.678 1.590 4.330 1.00 45.23 H new ATOM 0 HA LEU A 52 0.894 -1.074 3.264 1.00 71.24 H new ATOM 0 HB2 LEU A 52 2.973 -0.125 5.280 1.00 33.24 H new ATOM 0 HB3 LEU A 52 2.681 -1.802 4.865 1.00 33.24 H new ATOM 0 HG LEU A 52 3.656 0.351 2.939 1.00 35.43 H new ATOM 0 HD11 LEU A 52 5.814 -0.865 2.938 1.00 64.11 H new ATOM 0 HD12 LEU A 52 5.400 -0.226 4.547 1.00 64.11 H new ATOM 0 HD13 LEU A 52 5.185 -1.957 4.195 1.00 64.11 H new ATOM 0 HD21 LEU A 52 4.065 -1.523 1.348 1.00 23.22 H new ATOM 0 HD22 LEU A 52 3.316 -2.649 2.505 1.00 23.22 H new ATOM 0 HD23 LEU A 52 2.342 -1.358 1.761 1.00 23.22 H new ATOM 887 N VAL A 53 -1.020 -1.148 4.868 1.00 71.40 N ATOM 888 CA VAL A 53 -2.124 -1.427 5.797 1.00 41.43 C ATOM 889 C VAL A 53 -2.034 -2.869 6.326 1.00 24.21 C ATOM 890 O VAL A 53 -2.358 -3.826 5.603 1.00 43.53 O ATOM 891 CB VAL A 53 -3.532 -1.210 5.118 1.00 31.42 C ATOM 892 CG1 VAL A 53 -4.689 -1.420 6.126 1.00 14.13 C ATOM 893 CG2 VAL A 53 -3.629 0.176 4.446 1.00 61.52 C ATOM 0 H VAL A 53 -1.264 -1.315 3.892 1.00 71.40 H new ATOM 0 HA VAL A 53 -2.029 -0.724 6.625 1.00 41.43 H new ATOM 0 HB VAL A 53 -3.631 -1.965 4.338 1.00 31.42 H new ATOM 0 HG11 VAL A 53 -5.643 -1.262 5.623 1.00 14.13 H new ATOM 0 HG12 VAL A 53 -4.649 -2.436 6.519 1.00 14.13 H new ATOM 0 HG13 VAL A 53 -4.590 -0.710 6.947 1.00 14.13 H new ATOM 0 HG21 VAL A 53 -4.612 0.291 3.989 1.00 61.52 H new ATOM 0 HG22 VAL A 53 -3.484 0.954 5.195 1.00 61.52 H new ATOM 0 HG23 VAL A 53 -2.860 0.263 3.679 1.00 61.52 H new ATOM 903 N GLY A 54 -1.554 -2.992 7.579 1.00 31.43 N ATOM 904 CA GLY A 54 -1.522 -4.257 8.313 1.00 33.33 C ATOM 905 C GLY A 54 -0.726 -5.358 7.626 1.00 63.50 C ATOM 906 O GLY A 54 -1.107 -6.529 7.685 1.00 22.10 O ATOM 0 H GLY A 54 -1.176 -2.206 8.108 1.00 31.43 H new ATOM 0 HA2 GLY A 54 -1.097 -4.080 9.301 1.00 33.33 H new ATOM 0 HA3 GLY A 54 -2.545 -4.603 8.463 1.00 33.33 H new ATOM 910 N VAL A 55 0.388 -4.973 6.972 1.00 32.11 N ATOM 911 CA VAL A 55 1.289 -5.924 6.289 1.00 70.24 C ATOM 912 C VAL A 55 2.344 -6.419 7.289 1.00 4.23 C ATOM 913 O VAL A 55 2.724 -5.672 8.201 1.00 62.52 O ATOM 914 CB VAL A 55 1.992 -5.281 5.020 1.00 4.03 C ATOM 915 CG1 VAL A 55 0.950 -4.650 4.059 1.00 55.25 C ATOM 916 CG2 VAL A 55 3.092 -4.261 5.405 1.00 1.22 C ATOM 0 H VAL A 55 0.688 -4.000 6.902 1.00 32.11 H new ATOM 0 HA VAL A 55 0.690 -6.760 5.928 1.00 70.24 H new ATOM 0 HB VAL A 55 2.490 -6.094 4.492 1.00 4.03 H new ATOM 0 HG11 VAL A 55 1.463 -4.218 3.200 1.00 55.25 H new ATOM 0 HG12 VAL A 55 0.256 -5.419 3.719 1.00 55.25 H new ATOM 0 HG13 VAL A 55 0.398 -3.869 4.583 1.00 55.25 H new ATOM 0 HG21 VAL A 55 3.541 -3.851 4.500 1.00 1.22 H new ATOM 0 HG22 VAL A 55 2.651 -3.453 5.989 1.00 1.22 H new ATOM 0 HG23 VAL A 55 3.860 -4.760 5.997 1.00 1.22 H new ATOM 926 N SER A 56 2.800 -7.673 7.142 1.00 32.42 N ATOM 927 CA SER A 56 3.867 -8.234 7.993 1.00 34.10 C ATOM 928 C SER A 56 5.157 -7.389 7.849 1.00 0.24 C ATOM 929 O SER A 56 5.398 -6.813 6.782 1.00 13.35 O ATOM 930 CB SER A 56 4.127 -9.708 7.609 1.00 0.33 C ATOM 931 OG SER A 56 5.082 -10.307 8.473 1.00 35.05 O ATOM 0 H SER A 56 2.446 -8.322 6.439 1.00 32.42 H new ATOM 0 HA SER A 56 3.551 -8.202 9.036 1.00 34.10 H new ATOM 0 HB2 SER A 56 3.193 -10.267 7.653 1.00 0.33 H new ATOM 0 HB3 SER A 56 4.482 -9.760 6.580 1.00 0.33 H new ATOM 0 HG SER A 56 5.213 -11.244 8.217 1.00 35.05 H new ATOM 937 N GLU A 57 5.968 -7.321 8.923 1.00 24.20 N ATOM 938 CA GLU A 57 7.196 -6.488 8.963 1.00 4.43 C ATOM 939 C GLU A 57 8.232 -6.934 7.911 1.00 64.34 C ATOM 940 O GLU A 57 9.042 -6.123 7.452 1.00 34.22 O ATOM 941 CB GLU A 57 7.803 -6.506 10.384 1.00 41.44 C ATOM 942 CG GLU A 57 6.884 -5.911 11.468 1.00 71.45 C ATOM 943 CD GLU A 57 7.469 -6.053 12.873 1.00 55.10 C ATOM 944 OE1 GLU A 57 8.400 -5.294 13.217 1.00 15.14 O ATOM 945 OE2 GLU A 57 7.009 -6.922 13.645 1.00 24.12 O ATOM 0 H GLU A 57 5.796 -7.838 9.785 1.00 24.20 H new ATOM 0 HA GLU A 57 6.914 -5.465 8.713 1.00 4.43 H new ATOM 0 HB2 GLU A 57 8.044 -7.535 10.652 1.00 41.44 H new ATOM 0 HB3 GLU A 57 8.741 -5.951 10.374 1.00 41.44 H new ATOM 0 HG2 GLU A 57 6.711 -4.856 11.255 1.00 71.45 H new ATOM 0 HG3 GLU A 57 5.914 -6.407 11.430 1.00 71.45 H new ATOM 952 N LYS A 58 8.175 -8.222 7.517 1.00 70.42 N ATOM 953 CA LYS A 58 9.010 -8.756 6.428 1.00 32.22 C ATOM 954 C LYS A 58 8.608 -8.130 5.071 1.00 62.20 C ATOM 955 O LYS A 58 9.471 -7.807 4.259 1.00 44.24 O ATOM 956 CB LYS A 58 8.934 -10.308 6.365 1.00 2.15 C ATOM 957 CG LYS A 58 7.521 -10.894 6.132 1.00 12.41 C ATOM 958 CD LYS A 58 7.536 -12.421 5.863 1.00 33.34 C ATOM 959 CE LYS A 58 8.155 -13.240 7.009 1.00 32.33 C ATOM 960 NZ LYS A 58 8.149 -14.701 6.716 1.00 71.33 N ATOM 0 H LYS A 58 7.555 -8.913 7.941 1.00 70.42 H new ATOM 0 HA LYS A 58 10.044 -8.483 6.638 1.00 32.22 H new ATOM 0 HB2 LYS A 58 9.589 -10.655 5.566 1.00 2.15 H new ATOM 0 HB3 LYS A 58 9.327 -10.712 7.298 1.00 2.15 H new ATOM 0 HG2 LYS A 58 6.901 -10.690 7.005 1.00 12.41 H new ATOM 0 HG3 LYS A 58 7.058 -10.386 5.286 1.00 12.41 H new ATOM 0 HD2 LYS A 58 6.515 -12.762 5.694 1.00 33.34 H new ATOM 0 HD3 LYS A 58 8.093 -12.615 4.946 1.00 33.34 H new ATOM 0 HE2 LYS A 58 9.179 -12.908 7.180 1.00 32.33 H new ATOM 0 HE3 LYS A 58 7.602 -13.052 7.929 1.00 32.33 H new ATOM 0 HZ1 LYS A 58 8.574 -15.217 7.513 1.00 71.33 H new ATOM 0 HZ2 LYS A 58 7.170 -15.023 6.578 1.00 71.33 H new ATOM 0 HZ3 LYS A 58 8.699 -14.884 5.852 1.00 71.33 H new ATOM 974 N LEU A 59 7.284 -7.937 4.863 1.00 25.41 N ATOM 975 CA LEU A 59 6.728 -7.305 3.647 1.00 22.54 C ATOM 976 C LEU A 59 6.972 -5.787 3.688 1.00 54.34 C ATOM 977 O LEU A 59 7.239 -5.163 2.665 1.00 54.13 O ATOM 978 CB LEU A 59 5.202 -7.602 3.538 1.00 53.41 C ATOM 979 CG LEU A 59 4.799 -9.107 3.417 1.00 2.23 C ATOM 980 CD1 LEU A 59 3.259 -9.280 3.443 1.00 53.24 C ATOM 981 CD2 LEU A 59 5.418 -9.734 2.149 1.00 33.21 C ATOM 0 H LEU A 59 6.571 -8.217 5.537 1.00 25.41 H new ATOM 0 HA LEU A 59 7.228 -7.720 2.772 1.00 22.54 H new ATOM 0 HB2 LEU A 59 4.708 -7.185 4.416 1.00 53.41 H new ATOM 0 HB3 LEU A 59 4.811 -7.072 2.670 1.00 53.41 H new ATOM 0 HG LEU A 59 5.197 -9.637 4.282 1.00 2.23 H new ATOM 0 HD11 LEU A 59 3.010 -10.338 3.357 1.00 53.24 H new ATOM 0 HD12 LEU A 59 2.865 -8.890 4.381 1.00 53.24 H new ATOM 0 HD13 LEU A 59 2.817 -8.734 2.609 1.00 53.24 H new ATOM 0 HD21 LEU A 59 5.126 -10.782 2.082 1.00 33.21 H new ATOM 0 HD22 LEU A 59 5.061 -9.201 1.268 1.00 33.21 H new ATOM 0 HD23 LEU A 59 6.504 -9.662 2.201 1.00 33.21 H new ATOM 993 N LEU A 60 6.902 -5.227 4.906 1.00 1.41 N ATOM 994 CA LEU A 60 7.079 -3.786 5.167 1.00 10.13 C ATOM 995 C LEU A 60 8.471 -3.325 4.693 1.00 65.43 C ATOM 996 O LEU A 60 8.595 -2.399 3.880 1.00 73.24 O ATOM 997 CB LEU A 60 6.825 -3.532 6.688 1.00 21.43 C ATOM 998 CG LEU A 60 6.916 -2.054 7.238 1.00 54.04 C ATOM 999 CD1 LEU A 60 6.053 -1.887 8.512 1.00 71.32 C ATOM 1000 CD2 LEU A 60 8.379 -1.626 7.542 1.00 43.33 C ATOM 0 H LEU A 60 6.718 -5.769 5.751 1.00 1.41 H new ATOM 0 HA LEU A 60 6.362 -3.191 4.602 1.00 10.13 H new ATOM 0 HB2 LEU A 60 5.831 -3.912 6.925 1.00 21.43 H new ATOM 0 HB3 LEU A 60 7.539 -4.137 7.247 1.00 21.43 H new ATOM 0 HG LEU A 60 6.533 -1.405 6.450 1.00 54.04 H new ATOM 0 HD11 LEU A 60 6.131 -0.861 8.873 1.00 71.32 H new ATOM 0 HD12 LEU A 60 5.012 -2.111 8.278 1.00 71.32 H new ATOM 0 HD13 LEU A 60 6.407 -2.571 9.283 1.00 71.32 H new ATOM 0 HD21 LEU A 60 8.388 -0.603 7.917 1.00 43.33 H new ATOM 0 HD22 LEU A 60 8.804 -2.292 8.293 1.00 43.33 H new ATOM 0 HD23 LEU A 60 8.972 -1.683 6.629 1.00 43.33 H new ATOM 1012 N GLN A 61 9.502 -4.032 5.183 1.00 21.13 N ATOM 1013 CA GLN A 61 10.913 -3.745 4.878 1.00 23.34 C ATOM 1014 C GLN A 61 11.293 -4.168 3.441 1.00 0.22 C ATOM 1015 O GLN A 61 12.297 -3.695 2.907 1.00 71.21 O ATOM 1016 CB GLN A 61 11.802 -4.466 5.930 1.00 61.34 C ATOM 1017 CG GLN A 61 11.541 -4.012 7.390 1.00 1.32 C ATOM 1018 CD GLN A 61 12.198 -4.892 8.461 1.00 64.33 C ATOM 1019 OE1 GLN A 61 13.256 -5.481 8.252 1.00 34.44 O ATOM 1020 NE2 GLN A 61 11.553 -5.000 9.616 1.00 52.11 N ATOM 0 H GLN A 61 9.378 -4.828 5.809 1.00 21.13 H new ATOM 0 HA GLN A 61 11.076 -2.669 4.931 1.00 23.34 H new ATOM 0 HB2 GLN A 61 11.634 -5.541 5.858 1.00 61.34 H new ATOM 0 HB3 GLN A 61 12.850 -4.291 5.687 1.00 61.34 H new ATOM 0 HG2 GLN A 61 11.900 -2.990 7.508 1.00 1.32 H new ATOM 0 HG3 GLN A 61 10.465 -3.994 7.564 1.00 1.32 H new ATOM 0 HE21 GLN A 61 10.676 -4.499 9.759 1.00 52.11 H new ATOM 0 HE22 GLN A 61 11.934 -5.584 10.360 1.00 52.11 H new ATOM 1029 N LYS A 62 10.479 -5.055 2.827 1.00 20.01 N ATOM 1030 CA LYS A 62 10.717 -5.582 1.461 1.00 64.13 C ATOM 1031 C LYS A 62 10.271 -4.576 0.386 1.00 21.50 C ATOM 1032 O LYS A 62 11.033 -4.261 -0.539 1.00 1.12 O ATOM 1033 CB LYS A 62 9.989 -6.937 1.279 1.00 52.22 C ATOM 1034 CG LYS A 62 10.263 -7.637 -0.066 1.00 63.25 C ATOM 1035 CD LYS A 62 9.683 -9.066 -0.114 1.00 22.41 C ATOM 1036 CE LYS A 62 10.007 -9.800 -1.420 1.00 0.11 C ATOM 1037 NZ LYS A 62 9.644 -11.238 -1.340 1.00 63.04 N ATOM 0 H LYS A 62 9.636 -5.428 3.264 1.00 20.01 H new ATOM 0 HA LYS A 62 11.789 -5.739 1.339 1.00 64.13 H new ATOM 0 HB2 LYS A 62 10.285 -7.605 2.088 1.00 52.22 H new ATOM 0 HB3 LYS A 62 8.916 -6.774 1.377 1.00 52.22 H new ATOM 0 HG2 LYS A 62 9.833 -7.046 -0.874 1.00 63.25 H new ATOM 0 HG3 LYS A 62 11.338 -7.678 -0.239 1.00 63.25 H new ATOM 0 HD2 LYS A 62 10.075 -9.640 0.726 1.00 22.41 H new ATOM 0 HD3 LYS A 62 8.601 -9.018 0.010 1.00 22.41 H new ATOM 0 HE2 LYS A 62 9.468 -9.333 -2.245 1.00 0.11 H new ATOM 0 HE3 LYS A 62 11.070 -9.704 -1.639 1.00 0.11 H new ATOM 0 HZ1 LYS A 62 10.510 -11.814 -1.317 1.00 63.04 H new ATOM 0 HZ2 LYS A 62 9.091 -11.409 -0.476 1.00 63.04 H new ATOM 0 HZ3 LYS A 62 9.076 -11.500 -2.171 1.00 63.04 H new ATOM 1051 N ILE A 63 9.025 -4.078 0.529 1.00 54.24 N ATOM 1052 CA ILE A 63 8.478 -2.992 -0.313 1.00 63.43 C ATOM 1053 C ILE A 63 9.386 -1.738 -0.188 1.00 3.11 C ATOM 1054 O ILE A 63 9.658 -1.054 -1.176 1.00 12.13 O ATOM 1055 CB ILE A 63 6.951 -2.681 0.066 1.00 64.32 C ATOM 1056 CG1 ILE A 63 5.947 -3.692 -0.613 1.00 55.42 C ATOM 1057 CG2 ILE A 63 6.531 -1.222 -0.271 1.00 63.21 C ATOM 1058 CD1 ILE A 63 6.079 -5.157 -0.216 1.00 24.40 C ATOM 0 H ILE A 63 8.369 -4.418 1.232 1.00 54.24 H new ATOM 0 HA ILE A 63 8.475 -3.306 -1.357 1.00 63.43 H new ATOM 0 HB ILE A 63 6.895 -2.808 1.147 1.00 64.32 H new ATOM 0 HG12 ILE A 63 4.932 -3.368 -0.385 1.00 55.42 H new ATOM 0 HG13 ILE A 63 6.070 -3.620 -1.694 1.00 55.42 H new ATOM 0 HG21 ILE A 63 5.488 -1.070 0.007 1.00 63.21 H new ATOM 0 HG22 ILE A 63 7.160 -0.525 0.283 1.00 63.21 H new ATOM 0 HG23 ILE A 63 6.650 -1.047 -1.340 1.00 63.21 H new ATOM 0 HD11 ILE A 63 5.334 -5.747 -0.750 1.00 24.40 H new ATOM 0 HD12 ILE A 63 7.077 -5.515 -0.471 1.00 24.40 H new ATOM 0 HD13 ILE A 63 5.920 -5.259 0.858 1.00 24.40 H new ATOM 1070 N LYS A 64 9.900 -1.507 1.040 1.00 44.13 N ATOM 1071 CA LYS A 64 10.811 -0.390 1.356 1.00 64.21 C ATOM 1072 C LYS A 64 12.132 -0.512 0.564 1.00 74.34 C ATOM 1073 O LYS A 64 12.522 0.421 -0.142 1.00 12.12 O ATOM 1074 CB LYS A 64 11.068 -0.369 2.898 1.00 34.41 C ATOM 1075 CG LYS A 64 11.841 0.857 3.470 1.00 5.12 C ATOM 1076 CD LYS A 64 13.383 0.748 3.373 1.00 73.15 C ATOM 1077 CE LYS A 64 14.108 1.885 4.114 1.00 32.23 C ATOM 1078 NZ LYS A 64 13.834 1.867 5.578 1.00 14.41 N ATOM 0 H LYS A 64 9.691 -2.097 1.845 1.00 44.13 H new ATOM 0 HA LYS A 64 10.351 0.552 1.059 1.00 64.21 H new ATOM 0 HB2 LYS A 64 10.104 -0.427 3.403 1.00 34.41 H new ATOM 0 HB3 LYS A 64 11.621 -1.271 3.162 1.00 34.41 H new ATOM 0 HG2 LYS A 64 11.519 1.753 2.939 1.00 5.12 H new ATOM 0 HG3 LYS A 64 11.564 0.989 4.516 1.00 5.12 H new ATOM 0 HD2 LYS A 64 13.702 -0.209 3.785 1.00 73.15 H new ATOM 0 HD3 LYS A 64 13.678 0.758 2.324 1.00 73.15 H new ATOM 0 HE2 LYS A 64 15.182 1.799 3.946 1.00 32.23 H new ATOM 0 HE3 LYS A 64 13.796 2.844 3.699 1.00 32.23 H new ATOM 0 HZ1 LYS A 64 14.513 2.485 6.066 1.00 14.41 H new ATOM 0 HZ2 LYS A 64 12.867 2.207 5.754 1.00 14.41 H new ATOM 0 HZ3 LYS A 64 13.930 0.896 5.937 1.00 14.41 H new ATOM 1092 N GLN A 65 12.800 -1.680 0.686 1.00 64.32 N ATOM 1093 CA GLN A 65 14.178 -1.870 0.175 1.00 30.30 C ATOM 1094 C GLN A 65 14.229 -1.926 -1.363 1.00 65.13 C ATOM 1095 O GLN A 65 15.189 -1.439 -1.975 1.00 74.44 O ATOM 1096 CB GLN A 65 14.837 -3.138 0.797 1.00 61.21 C ATOM 1097 CG GLN A 65 14.228 -4.488 0.364 1.00 61.13 C ATOM 1098 CD GLN A 65 14.810 -5.683 1.116 1.00 63.15 C ATOM 1099 OE1 GLN A 65 15.787 -6.293 0.685 1.00 74.33 O ATOM 1100 NE2 GLN A 65 14.223 -6.021 2.256 1.00 34.54 N ATOM 0 H GLN A 65 12.407 -2.508 1.135 1.00 64.32 H new ATOM 0 HA GLN A 65 14.752 -0.996 0.484 1.00 30.30 H new ATOM 0 HB2 GLN A 65 15.896 -3.138 0.539 1.00 61.21 H new ATOM 0 HB3 GLN A 65 14.773 -3.063 1.883 1.00 61.21 H new ATOM 0 HG2 GLN A 65 13.150 -4.459 0.521 1.00 61.13 H new ATOM 0 HG3 GLN A 65 14.391 -4.626 -0.705 1.00 61.13 H new ATOM 0 HE21 GLN A 65 13.414 -5.496 2.588 1.00 34.54 H new ATOM 0 HE22 GLN A 65 14.581 -6.806 2.801 1.00 34.54 H new ATOM 1109 N GLU A 66 13.184 -2.512 -1.980 1.00 13.43 N ATOM 1110 CA GLU A 66 13.121 -2.704 -3.439 1.00 44.13 C ATOM 1111 C GLU A 66 12.569 -1.456 -4.144 1.00 32.30 C ATOM 1112 O GLU A 66 13.189 -0.945 -5.082 1.00 50.05 O ATOM 1113 CB GLU A 66 12.264 -3.946 -3.795 1.00 11.24 C ATOM 1114 CG GLU A 66 12.863 -5.296 -3.354 1.00 54.13 C ATOM 1115 CD GLU A 66 12.089 -6.503 -3.905 1.00 44.35 C ATOM 1116 OE1 GLU A 66 12.020 -6.658 -5.143 1.00 2.33 O ATOM 1117 OE2 GLU A 66 11.571 -7.318 -3.119 1.00 63.31 O ATOM 0 H GLU A 66 12.365 -2.863 -1.483 1.00 13.43 H new ATOM 0 HA GLU A 66 14.139 -2.870 -3.792 1.00 44.13 H new ATOM 0 HB2 GLU A 66 11.281 -3.834 -3.337 1.00 11.24 H new ATOM 0 HB3 GLU A 66 12.112 -3.968 -4.874 1.00 11.24 H new ATOM 0 HG2 GLU A 66 13.900 -5.353 -3.686 1.00 54.13 H new ATOM 0 HG3 GLU A 66 12.874 -5.344 -2.265 1.00 54.13 H new ATOM 1124 N ALA A 67 11.402 -0.963 -3.681 1.00 61.23 N ATOM 1125 CA ALA A 67 10.714 0.173 -4.325 1.00 34.24 C ATOM 1126 C ALA A 67 11.321 1.531 -3.917 1.00 24.21 C ATOM 1127 O ALA A 67 11.079 2.534 -4.599 1.00 2.01 O ATOM 1128 CB ALA A 67 9.203 0.115 -4.047 1.00 12.40 C ATOM 0 H ALA A 67 10.917 -1.334 -2.864 1.00 61.23 H new ATOM 0 HA ALA A 67 10.864 0.084 -5.401 1.00 34.24 H new ATOM 0 HB1 ALA A 67 8.712 0.960 -4.529 1.00 12.40 H new ATOM 0 HB2 ALA A 67 8.796 -0.816 -4.442 1.00 12.40 H new ATOM 0 HB3 ALA A 67 9.029 0.159 -2.972 1.00 12.40 H new ATOM 1134 N ASN A 68 12.094 1.547 -2.798 1.00 0.43 N ATOM 1135 CA ASN A 68 12.847 2.748 -2.323 1.00 73.22 C ATOM 1136 C ASN A 68 11.872 3.855 -1.878 1.00 11.44 C ATOM 1137 O ASN A 68 12.005 5.024 -2.261 1.00 61.42 O ATOM 1138 CB ASN A 68 13.842 3.266 -3.424 1.00 33.51 C ATOM 1139 CG ASN A 68 15.051 2.368 -3.705 1.00 42.24 C ATOM 1140 OD1 ASN A 68 16.096 2.857 -4.146 1.00 33.32 O ATOM 1141 ND2 ASN A 68 14.951 1.067 -3.458 1.00 40.42 N ATOM 0 H ASN A 68 12.215 0.731 -2.198 1.00 0.43 H new ATOM 0 HA ASN A 68 13.444 2.458 -1.458 1.00 73.22 H new ATOM 0 HB2 ASN A 68 13.288 3.399 -4.353 1.00 33.51 H new ATOM 0 HB3 ASN A 68 14.205 4.249 -3.125 1.00 33.51 H new ATOM 0 HD21 ASN A 68 15.746 0.452 -3.632 1.00 40.42 H new ATOM 0 HD22 ASN A 68 14.079 0.683 -3.094 1.00 40.42 H new ATOM 1148 N VAL A 69 10.906 3.478 -1.020 1.00 4.41 N ATOM 1149 CA VAL A 69 9.727 4.319 -0.716 1.00 33.12 C ATOM 1150 C VAL A 69 9.589 4.621 0.782 1.00 14.22 C ATOM 1151 O VAL A 69 10.180 3.933 1.632 1.00 23.01 O ATOM 1152 CB VAL A 69 8.409 3.624 -1.222 1.00 51.45 C ATOM 1153 CG1 VAL A 69 8.391 3.524 -2.758 1.00 43.32 C ATOM 1154 CG2 VAL A 69 8.227 2.225 -0.570 1.00 55.32 C ATOM 0 H VAL A 69 10.917 2.589 -0.520 1.00 4.41 H new ATOM 0 HA VAL A 69 9.879 5.264 -1.238 1.00 33.12 H new ATOM 0 HB VAL A 69 7.567 4.246 -0.917 1.00 51.45 H new ATOM 0 HG11 VAL A 69 7.469 3.040 -3.080 1.00 43.32 H new ATOM 0 HG12 VAL A 69 8.445 4.524 -3.188 1.00 43.32 H new ATOM 0 HG13 VAL A 69 9.246 2.937 -3.094 1.00 43.32 H new ATOM 0 HG21 VAL A 69 7.308 1.769 -0.938 1.00 55.32 H new ATOM 0 HG22 VAL A 69 9.075 1.591 -0.827 1.00 55.32 H new ATOM 0 HG23 VAL A 69 8.170 2.333 0.513 1.00 55.32 H new ATOM 1164 N GLN A 70 8.813 5.681 1.079 1.00 40.03 N ATOM 1165 CA GLN A 70 8.390 6.020 2.440 1.00 25.32 C ATOM 1166 C GLN A 70 7.288 5.038 2.881 1.00 54.23 C ATOM 1167 O GLN A 70 6.302 4.845 2.163 1.00 3.32 O ATOM 1168 CB GLN A 70 7.866 7.490 2.527 1.00 73.01 C ATOM 1169 CG GLN A 70 8.941 8.602 2.398 1.00 35.21 C ATOM 1170 CD GLN A 70 9.566 8.730 1.006 1.00 60.42 C ATOM 1171 OE1 GLN A 70 9.064 9.456 0.146 1.00 12.45 O ATOM 1172 NE2 GLN A 70 10.659 8.027 0.768 1.00 74.32 N ATOM 0 H GLN A 70 8.463 6.327 0.372 1.00 40.03 H new ATOM 0 HA GLN A 70 9.251 5.939 3.103 1.00 25.32 H new ATOM 0 HB2 GLN A 70 7.123 7.637 1.743 1.00 73.01 H new ATOM 0 HB3 GLN A 70 7.353 7.616 3.480 1.00 73.01 H new ATOM 0 HG2 GLN A 70 8.490 9.557 2.668 1.00 35.21 H new ATOM 0 HG3 GLN A 70 9.734 8.408 3.121 1.00 35.21 H new ATOM 0 HE21 GLN A 70 11.053 7.434 1.498 1.00 74.32 H new ATOM 0 HE22 GLN A 70 11.109 8.077 -0.146 1.00 74.32 H new ATOM 1181 N VAL A 71 7.467 4.444 4.063 1.00 23.35 N ATOM 1182 CA VAL A 71 6.541 3.454 4.631 1.00 14.13 C ATOM 1183 C VAL A 71 5.553 4.141 5.577 1.00 12.24 C ATOM 1184 O VAL A 71 5.954 4.933 6.438 1.00 72.22 O ATOM 1185 CB VAL A 71 7.333 2.339 5.411 1.00 21.23 C ATOM 1186 CG1 VAL A 71 6.407 1.485 6.313 1.00 44.43 C ATOM 1187 CG2 VAL A 71 8.130 1.448 4.427 1.00 45.43 C ATOM 0 H VAL A 71 8.269 4.638 4.663 1.00 23.35 H new ATOM 0 HA VAL A 71 5.992 2.988 3.813 1.00 14.13 H new ATOM 0 HB VAL A 71 8.039 2.843 6.072 1.00 21.23 H new ATOM 0 HG11 VAL A 71 6.999 0.730 6.830 1.00 44.43 H new ATOM 0 HG12 VAL A 71 5.919 2.128 7.045 1.00 44.43 H new ATOM 0 HG13 VAL A 71 5.651 0.996 5.699 1.00 44.43 H new ATOM 0 HG21 VAL A 71 8.671 0.683 4.985 1.00 45.43 H new ATOM 0 HG22 VAL A 71 7.442 0.970 3.730 1.00 45.43 H new ATOM 0 HG23 VAL A 71 8.839 2.062 3.873 1.00 45.43 H new ATOM 1197 N TYR A 72 4.258 3.856 5.387 1.00 22.31 N ATOM 1198 CA TYR A 72 3.203 4.283 6.306 1.00 3.00 C ATOM 1199 C TYR A 72 2.493 3.039 6.830 1.00 21.34 C ATOM 1200 O TYR A 72 1.666 2.441 6.140 1.00 13.45 O ATOM 1201 CB TYR A 72 2.241 5.258 5.580 1.00 70.34 C ATOM 1202 CG TYR A 72 2.953 6.555 5.173 1.00 2.15 C ATOM 1203 CD1 TYR A 72 3.660 6.643 3.971 1.00 42.21 C ATOM 1204 CD2 TYR A 72 2.970 7.671 6.017 1.00 52.45 C ATOM 1205 CE1 TYR A 72 4.340 7.785 3.630 1.00 21.30 C ATOM 1206 CE2 TYR A 72 3.662 8.817 5.674 1.00 51.22 C ATOM 1207 CZ TYR A 72 4.343 8.866 4.480 1.00 35.32 C ATOM 1208 OH TYR A 72 5.044 9.997 4.133 1.00 75.22 O ATOM 0 H TYR A 72 3.915 3.321 4.589 1.00 22.31 H new ATOM 0 HA TYR A 72 3.616 4.824 7.157 1.00 3.00 H new ATOM 0 HB2 TYR A 72 1.831 4.773 4.694 1.00 70.34 H new ATOM 0 HB3 TYR A 72 1.400 5.493 6.232 1.00 70.34 H new ATOM 0 HD1 TYR A 72 3.671 5.798 3.299 1.00 42.21 H new ATOM 0 HD2 TYR A 72 2.433 7.636 6.953 1.00 52.45 H new ATOM 0 HE1 TYR A 72 4.874 7.835 2.692 1.00 21.30 H new ATOM 0 HE2 TYR A 72 3.668 9.668 6.339 1.00 51.22 H new ATOM 0 HH TYR A 72 4.946 10.671 4.837 1.00 75.22 H new ATOM 1218 N ARG A 73 2.873 2.642 8.050 1.00 15.25 N ATOM 1219 CA ARG A 73 2.275 1.518 8.772 1.00 33.33 C ATOM 1220 C ARG A 73 0.899 1.959 9.280 1.00 42.24 C ATOM 1221 O ARG A 73 0.791 2.818 10.164 1.00 33.53 O ATOM 1222 CB ARG A 73 3.201 1.074 9.939 1.00 13.43 C ATOM 1223 CG ARG A 73 2.590 0.039 10.915 1.00 3.04 C ATOM 1224 CD ARG A 73 2.204 -1.295 10.246 1.00 21.53 C ATOM 1225 NE ARG A 73 1.422 -2.140 11.165 1.00 31.50 N ATOM 1226 CZ ARG A 73 1.334 -3.476 11.122 1.00 73.33 C ATOM 1227 NH1 ARG A 73 1.984 -4.171 10.207 1.00 10.14 N ATOM 1228 NH2 ARG A 73 0.602 -4.111 12.021 1.00 40.24 N ATOM 0 H ARG A 73 3.619 3.103 8.571 1.00 15.25 H new ATOM 0 HA ARG A 73 2.157 0.657 8.114 1.00 33.33 H new ATOM 0 HB2 ARG A 73 4.114 0.655 9.516 1.00 13.43 H new ATOM 0 HB3 ARG A 73 3.490 1.958 10.508 1.00 13.43 H new ATOM 0 HG2 ARG A 73 3.305 -0.159 11.714 1.00 3.04 H new ATOM 0 HG3 ARG A 73 1.704 0.471 11.380 1.00 3.04 H new ATOM 0 HD2 ARG A 73 1.624 -1.099 9.344 1.00 21.53 H new ATOM 0 HD3 ARG A 73 3.105 -1.825 9.937 1.00 21.53 H new ATOM 0 HE ARG A 73 0.900 -1.665 11.901 1.00 31.50 H new ATOM 0 HH11 ARG A 73 2.564 -3.691 9.519 1.00 10.14 H new ATOM 0 HH12 ARG A 73 1.906 -5.188 10.188 1.00 10.14 H new ATOM 0 HH21 ARG A 73 0.109 -3.584 12.741 1.00 40.24 H new ATOM 0 HH22 ARG A 73 0.531 -5.128 11.994 1.00 40.24 H new ATOM 1242 N VAL A 74 -0.143 1.400 8.669 1.00 14.22 N ATOM 1243 CA VAL A 74 -1.539 1.768 8.917 1.00 35.13 C ATOM 1244 C VAL A 74 -2.309 0.545 9.435 1.00 33.35 C ATOM 1245 O VAL A 74 -2.211 -0.538 8.868 1.00 42.22 O ATOM 1246 CB VAL A 74 -2.173 2.308 7.578 1.00 70.41 C ATOM 1247 CG1 VAL A 74 -3.704 2.454 7.667 1.00 43.11 C ATOM 1248 CG2 VAL A 74 -1.505 3.641 7.151 1.00 72.31 C ATOM 0 H VAL A 74 -0.040 0.662 7.972 1.00 14.22 H new ATOM 0 HA VAL A 74 -1.594 2.551 9.673 1.00 35.13 H new ATOM 0 HB VAL A 74 -1.977 1.562 6.808 1.00 70.41 H new ATOM 0 HG11 VAL A 74 -4.089 2.829 6.719 1.00 43.11 H new ATOM 0 HG12 VAL A 74 -4.150 1.483 7.881 1.00 43.11 H new ATOM 0 HG13 VAL A 74 -3.957 3.154 8.464 1.00 43.11 H new ATOM 0 HG21 VAL A 74 -1.958 3.995 6.225 1.00 72.31 H new ATOM 0 HG22 VAL A 74 -1.648 4.387 7.933 1.00 72.31 H new ATOM 0 HG23 VAL A 74 -0.438 3.480 6.994 1.00 72.31 H new ATOM 1258 N THR A 75 -3.044 0.730 10.538 1.00 61.20 N ATOM 1259 CA THR A 75 -3.995 -0.266 11.075 1.00 65.03 C ATOM 1260 C THR A 75 -5.291 0.439 11.540 1.00 41.11 C ATOM 1261 O THR A 75 -6.108 -0.146 12.258 1.00 31.21 O ATOM 1262 CB THR A 75 -3.360 -1.107 12.243 1.00 12.03 C ATOM 1263 OG1 THR A 75 -2.759 -0.235 13.207 1.00 54.31 O ATOM 1264 CG2 THR A 75 -2.311 -2.132 11.750 1.00 61.22 C ATOM 0 H THR A 75 -2.999 1.584 11.094 1.00 61.20 H new ATOM 0 HA THR A 75 -4.241 -0.965 10.276 1.00 65.03 H new ATOM 0 HB THR A 75 -4.174 -1.671 12.698 1.00 12.03 H new ATOM 0 HG1 THR A 75 -2.368 -0.767 13.931 1.00 54.31 H new ATOM 0 HG21 THR A 75 -1.910 -2.681 12.602 1.00 61.22 H new ATOM 0 HG22 THR A 75 -2.782 -2.830 11.058 1.00 61.22 H new ATOM 0 HG23 THR A 75 -1.501 -1.608 11.242 1.00 61.22 H new ATOM 1272 N SER A 76 -5.491 1.690 11.078 1.00 63.33 N ATOM 1273 CA SER A 76 -6.670 2.512 11.415 1.00 24.21 C ATOM 1274 C SER A 76 -7.195 3.214 10.152 1.00 62.21 C ATOM 1275 O SER A 76 -6.410 3.525 9.245 1.00 30.33 O ATOM 1276 CB SER A 76 -6.311 3.565 12.488 1.00 54.24 C ATOM 1277 OG SER A 76 -7.454 4.310 12.884 1.00 44.50 O ATOM 0 H SER A 76 -4.834 2.161 10.456 1.00 63.33 H new ATOM 0 HA SER A 76 -7.445 1.859 11.815 1.00 24.21 H new ATOM 0 HB2 SER A 76 -5.879 3.069 13.357 1.00 54.24 H new ATOM 0 HB3 SER A 76 -5.551 4.241 12.097 1.00 54.24 H new ATOM 0 HG SER A 76 -7.197 4.967 13.564 1.00 44.50 H new ATOM 1283 N ASN A 77 -8.526 3.471 10.120 1.00 11.50 N ATOM 1284 CA ASN A 77 -9.184 4.241 9.043 1.00 63.04 C ATOM 1285 C ASN A 77 -8.553 5.631 8.929 1.00 42.55 C ATOM 1286 O ASN A 77 -8.249 6.091 7.832 1.00 62.04 O ATOM 1287 CB ASN A 77 -10.713 4.384 9.301 1.00 74.13 C ATOM 1288 CG ASN A 77 -11.428 3.035 9.415 1.00 70.34 C ATOM 1289 OD1 ASN A 77 -11.870 2.465 8.417 1.00 65.24 O ATOM 1290 ND2 ASN A 77 -11.545 2.514 10.628 1.00 52.51 N ATOM 0 H ASN A 77 -9.171 3.149 10.842 1.00 11.50 H new ATOM 0 HA ASN A 77 -9.042 3.696 8.110 1.00 63.04 H new ATOM 0 HB2 ASN A 77 -10.870 4.951 10.219 1.00 74.13 H new ATOM 0 HB3 ASN A 77 -11.161 4.959 8.490 1.00 74.13 H new ATOM 0 HD21 ASN A 77 -12.012 1.616 10.754 1.00 52.51 H new ATOM 0 HD22 ASN A 77 -11.168 3.011 11.435 1.00 52.51 H new ATOM 1297 N ASP A 78 -8.319 6.240 10.112 1.00 61.45 N ATOM 1298 CA ASP A 78 -7.716 7.576 10.259 1.00 3.32 C ATOM 1299 C ASP A 78 -6.377 7.655 9.516 1.00 33.13 C ATOM 1300 O ASP A 78 -6.192 8.514 8.669 1.00 63.03 O ATOM 1301 CB ASP A 78 -7.471 7.904 11.758 1.00 65.50 C ATOM 1302 CG ASP A 78 -8.732 7.816 12.630 1.00 50.22 C ATOM 1303 OD1 ASP A 78 -9.184 6.685 12.898 1.00 41.52 O ATOM 1304 OD2 ASP A 78 -9.272 8.861 13.034 1.00 35.30 O ATOM 0 H ASP A 78 -8.549 5.806 11.006 1.00 61.45 H new ATOM 0 HA ASP A 78 -8.413 8.298 9.833 1.00 3.32 H new ATOM 0 HB2 ASP A 78 -6.721 7.218 12.152 1.00 65.50 H new ATOM 0 HB3 ASP A 78 -7.057 8.909 11.837 1.00 65.50 H new ATOM 1309 N GLU A 79 -5.489 6.683 9.822 1.00 32.34 N ATOM 1310 CA GLU A 79 -4.122 6.616 9.274 1.00 31.04 C ATOM 1311 C GLU A 79 -4.134 6.542 7.744 1.00 62.53 C ATOM 1312 O GLU A 79 -3.429 7.297 7.069 1.00 3.32 O ATOM 1313 CB GLU A 79 -3.389 5.384 9.860 1.00 11.43 C ATOM 1314 CG GLU A 79 -3.006 5.511 11.339 1.00 20.03 C ATOM 1315 CD GLU A 79 -2.025 6.668 11.590 1.00 62.30 C ATOM 1316 OE1 GLU A 79 -0.898 6.622 11.055 1.00 31.23 O ATOM 1317 OE2 GLU A 79 -2.374 7.616 12.316 1.00 5.53 O ATOM 0 H GLU A 79 -5.706 5.918 10.462 1.00 32.34 H new ATOM 0 HA GLU A 79 -3.595 7.527 9.558 1.00 31.04 H new ATOM 0 HB2 GLU A 79 -4.025 4.507 9.737 1.00 11.43 H new ATOM 0 HB3 GLU A 79 -2.485 5.206 9.278 1.00 11.43 H new ATOM 0 HG2 GLU A 79 -3.907 5.666 11.933 1.00 20.03 H new ATOM 0 HG3 GLU A 79 -2.557 4.577 11.677 1.00 20.03 H new ATOM 1324 N LEU A 80 -4.976 5.632 7.230 1.00 71.25 N ATOM 1325 CA LEU A 80 -5.177 5.418 5.792 1.00 44.22 C ATOM 1326 C LEU A 80 -5.567 6.740 5.101 1.00 63.12 C ATOM 1327 O LEU A 80 -4.891 7.187 4.168 1.00 21.43 O ATOM 1328 CB LEU A 80 -6.256 4.301 5.621 1.00 63.30 C ATOM 1329 CG LEU A 80 -6.720 3.896 4.171 1.00 12.43 C ATOM 1330 CD1 LEU A 80 -7.867 4.772 3.635 1.00 51.23 C ATOM 1331 CD2 LEU A 80 -5.541 3.865 3.176 1.00 13.32 C ATOM 0 H LEU A 80 -5.544 5.016 7.812 1.00 71.25 H new ATOM 0 HA LEU A 80 -4.256 5.089 5.310 1.00 44.22 H new ATOM 0 HB2 LEU A 80 -5.877 3.402 6.107 1.00 63.30 H new ATOM 0 HB3 LEU A 80 -7.142 4.613 6.174 1.00 63.30 H new ATOM 0 HG LEU A 80 -7.114 2.884 4.262 1.00 12.43 H new ATOM 0 HD11 LEU A 80 -8.140 4.441 2.633 1.00 51.23 H new ATOM 0 HD12 LEU A 80 -8.731 4.683 4.294 1.00 51.23 H new ATOM 0 HD13 LEU A 80 -7.544 5.812 3.599 1.00 51.23 H new ATOM 0 HD21 LEU A 80 -5.905 3.581 2.189 1.00 13.32 H new ATOM 0 HD22 LEU A 80 -5.083 4.853 3.124 1.00 13.32 H new ATOM 0 HD23 LEU A 80 -4.800 3.139 3.512 1.00 13.32 H new ATOM 1343 N GLU A 81 -6.624 7.377 5.640 1.00 51.23 N ATOM 1344 CA GLU A 81 -7.209 8.605 5.084 1.00 21.43 C ATOM 1345 C GLU A 81 -6.235 9.788 5.182 1.00 53.33 C ATOM 1346 O GLU A 81 -6.205 10.635 4.292 1.00 33.22 O ATOM 1347 CB GLU A 81 -8.541 8.924 5.809 1.00 43.33 C ATOM 1348 CG GLU A 81 -9.618 7.832 5.638 1.00 13.22 C ATOM 1349 CD GLU A 81 -10.876 8.066 6.483 1.00 72.14 C ATOM 1350 OE1 GLU A 81 -11.572 9.080 6.259 1.00 10.20 O ATOM 1351 OE2 GLU A 81 -11.205 7.213 7.340 1.00 41.33 O ATOM 0 H GLU A 81 -7.098 7.048 6.481 1.00 51.23 H new ATOM 0 HA GLU A 81 -7.410 8.441 4.025 1.00 21.43 H new ATOM 0 HB2 GLU A 81 -8.342 9.062 6.872 1.00 43.33 H new ATOM 0 HB3 GLU A 81 -8.932 9.869 5.433 1.00 43.33 H new ATOM 0 HG2 GLU A 81 -9.903 7.777 4.587 1.00 13.22 H new ATOM 0 HG3 GLU A 81 -9.188 6.866 5.903 1.00 13.22 H new ATOM 1358 N GLN A 82 -5.416 9.810 6.259 1.00 11.22 N ATOM 1359 CA GLN A 82 -4.452 10.895 6.506 1.00 0.13 C ATOM 1360 C GLN A 82 -3.316 10.868 5.482 1.00 32.50 C ATOM 1361 O GLN A 82 -2.873 11.922 5.054 1.00 30.15 O ATOM 1362 CB GLN A 82 -3.871 10.856 7.954 1.00 44.32 C ATOM 1363 CG GLN A 82 -4.852 11.295 9.065 1.00 13.34 C ATOM 1364 CD GLN A 82 -5.426 12.711 8.881 1.00 21.14 C ATOM 1365 OE1 GLN A 82 -4.793 13.598 8.306 1.00 35.03 O ATOM 1366 NE2 GLN A 82 -6.624 12.942 9.391 1.00 2.53 N ATOM 0 H GLN A 82 -5.408 9.081 6.972 1.00 11.22 H new ATOM 0 HA GLN A 82 -5.003 11.829 6.397 1.00 0.13 H new ATOM 0 HB2 GLN A 82 -3.535 9.841 8.167 1.00 44.32 H new ATOM 0 HB3 GLN A 82 -2.991 11.498 7.993 1.00 44.32 H new ATOM 0 HG2 GLN A 82 -5.677 10.584 9.106 1.00 13.34 H new ATOM 0 HG3 GLN A 82 -4.340 11.245 10.026 1.00 13.34 H new ATOM 0 HE21 GLN A 82 -7.130 12.193 9.863 1.00 2.53 H new ATOM 0 HE22 GLN A 82 -7.042 13.869 9.312 1.00 2.53 H new ATOM 1375 N VAL A 83 -2.857 9.660 5.089 1.00 12.21 N ATOM 1376 CA VAL A 83 -1.796 9.512 4.071 1.00 41.03 C ATOM 1377 C VAL A 83 -2.344 9.834 2.657 1.00 43.52 C ATOM 1378 O VAL A 83 -1.601 10.290 1.781 1.00 15.01 O ATOM 1379 CB VAL A 83 -1.134 8.087 4.108 1.00 73.30 C ATOM 1380 CG1 VAL A 83 0.045 7.979 3.102 1.00 73.54 C ATOM 1381 CG2 VAL A 83 -0.666 7.735 5.540 1.00 15.21 C ATOM 0 H VAL A 83 -3.204 8.776 5.461 1.00 12.21 H new ATOM 0 HA VAL A 83 -1.014 10.232 4.311 1.00 41.03 H new ATOM 0 HB VAL A 83 -1.893 7.365 3.806 1.00 73.30 H new ATOM 0 HG11 VAL A 83 0.478 6.980 3.155 1.00 73.54 H new ATOM 0 HG12 VAL A 83 -0.321 8.162 2.092 1.00 73.54 H new ATOM 0 HG13 VAL A 83 0.806 8.718 3.352 1.00 73.54 H new ATOM 0 HG21 VAL A 83 -0.211 6.744 5.541 1.00 15.21 H new ATOM 0 HG22 VAL A 83 0.065 8.470 5.875 1.00 15.21 H new ATOM 0 HG23 VAL A 83 -1.522 7.742 6.215 1.00 15.21 H new ATOM 1391 N VAL A 84 -3.662 9.623 2.458 1.00 5.03 N ATOM 1392 CA VAL A 84 -4.378 10.086 1.246 1.00 32.13 C ATOM 1393 C VAL A 84 -4.413 11.639 1.207 1.00 74.14 C ATOM 1394 O VAL A 84 -4.363 12.252 0.139 1.00 41.20 O ATOM 1395 CB VAL A 84 -5.841 9.489 1.180 1.00 30.43 C ATOM 1396 CG1 VAL A 84 -6.618 9.987 -0.059 1.00 70.41 C ATOM 1397 CG2 VAL A 84 -5.817 7.941 1.217 1.00 5.44 C ATOM 0 H VAL A 84 -4.257 9.132 3.125 1.00 5.03 H new ATOM 0 HA VAL A 84 -3.837 9.725 0.371 1.00 32.13 H new ATOM 0 HB VAL A 84 -6.367 9.849 2.064 1.00 30.43 H new ATOM 0 HG11 VAL A 84 -7.617 9.551 -0.062 1.00 70.41 H new ATOM 0 HG12 VAL A 84 -6.697 11.074 -0.027 1.00 70.41 H new ATOM 0 HG13 VAL A 84 -6.089 9.688 -0.964 1.00 70.41 H new ATOM 0 HG21 VAL A 84 -6.837 7.560 1.170 1.00 5.44 H new ATOM 0 HG22 VAL A 84 -5.250 7.565 0.365 1.00 5.44 H new ATOM 0 HG23 VAL A 84 -5.347 7.606 2.142 1.00 5.44 H new ATOM 1407 N LYS A 85 -4.472 12.261 2.396 1.00 62.33 N ATOM 1408 CA LYS A 85 -4.405 13.729 2.546 1.00 71.42 C ATOM 1409 C LYS A 85 -2.936 14.221 2.510 1.00 73.13 C ATOM 1410 O LYS A 85 -2.672 15.359 2.125 1.00 51.55 O ATOM 1411 CB LYS A 85 -5.116 14.156 3.863 1.00 3.00 C ATOM 1412 CG LYS A 85 -6.610 13.752 3.919 1.00 24.00 C ATOM 1413 CD LYS A 85 -7.322 14.194 5.220 1.00 13.23 C ATOM 1414 CE LYS A 85 -7.462 15.717 5.326 1.00 2.01 C ATOM 1415 NZ LYS A 85 -8.174 16.122 6.562 1.00 31.12 N ATOM 0 H LYS A 85 -4.567 11.763 3.281 1.00 62.33 H new ATOM 0 HA LYS A 85 -4.923 14.196 1.708 1.00 71.42 H new ATOM 0 HB2 LYS A 85 -4.595 13.708 4.709 1.00 3.00 H new ATOM 0 HB3 LYS A 85 -5.036 15.237 3.975 1.00 3.00 H new ATOM 0 HG2 LYS A 85 -7.128 14.188 3.065 1.00 24.00 H new ATOM 0 HG3 LYS A 85 -6.689 12.669 3.821 1.00 24.00 H new ATOM 0 HD2 LYS A 85 -8.311 13.738 5.262 1.00 13.23 H new ATOM 0 HD3 LYS A 85 -6.764 13.823 6.080 1.00 13.23 H new ATOM 0 HE2 LYS A 85 -6.473 16.174 5.310 1.00 2.01 H new ATOM 0 HE3 LYS A 85 -8.001 16.093 4.457 1.00 2.01 H new ATOM 0 HZ1 LYS A 85 -8.248 17.159 6.596 1.00 31.12 H new ATOM 0 HZ2 LYS A 85 -9.127 15.707 6.565 1.00 31.12 H new ATOM 0 HZ3 LYS A 85 -7.647 15.785 7.393 1.00 31.12 H new ATOM 1429 N ASP A 86 -1.986 13.333 2.888 1.00 43.23 N ATOM 1430 CA ASP A 86 -0.534 13.642 2.907 1.00 45.55 C ATOM 1431 C ASP A 86 0.076 13.535 1.511 1.00 11.41 C ATOM 1432 O ASP A 86 1.088 14.180 1.235 1.00 41.44 O ATOM 1433 CB ASP A 86 0.251 12.690 3.872 1.00 72.11 C ATOM 1434 CG ASP A 86 -0.005 12.932 5.367 1.00 21.22 C ATOM 1435 OD1 ASP A 86 -0.175 14.099 5.764 1.00 34.20 O ATOM 1436 OD2 ASP A 86 0.013 11.964 6.159 1.00 60.40 O ATOM 0 H ASP A 86 -2.203 12.383 3.188 1.00 43.23 H new ATOM 0 HA ASP A 86 -0.444 14.667 3.267 1.00 45.55 H new ATOM 0 HB2 ASP A 86 -0.012 11.659 3.635 1.00 72.11 H new ATOM 0 HB3 ASP A 86 1.318 12.799 3.678 1.00 72.11 H new ATOM 1441 N VAL A 87 -0.520 12.688 0.641 1.00 72.41 N ATOM 1442 CA VAL A 87 0.029 12.450 -0.707 1.00 72.33 C ATOM 1443 C VAL A 87 -0.123 13.715 -1.579 1.00 13.24 C ATOM 1444 O VAL A 87 0.784 14.076 -2.325 1.00 11.23 O ATOM 1445 CB VAL A 87 -0.569 11.166 -1.406 1.00 14.20 C ATOM 1446 CG1 VAL A 87 -2.044 11.335 -1.830 1.00 42.40 C ATOM 1447 CG2 VAL A 87 0.312 10.722 -2.594 1.00 73.14 C ATOM 0 H VAL A 87 -1.371 12.165 0.848 1.00 72.41 H new ATOM 0 HA VAL A 87 1.092 12.240 -0.590 1.00 72.33 H new ATOM 0 HB VAL A 87 -0.561 10.375 -0.656 1.00 14.20 H new ATOM 0 HG11 VAL A 87 -2.394 10.418 -2.304 1.00 42.40 H new ATOM 0 HG12 VAL A 87 -2.654 11.545 -0.951 1.00 42.40 H new ATOM 0 HG13 VAL A 87 -2.127 12.162 -2.535 1.00 42.40 H new ATOM 0 HG21 VAL A 87 -0.122 9.836 -3.058 1.00 73.14 H new ATOM 0 HG22 VAL A 87 0.366 11.526 -3.328 1.00 73.14 H new ATOM 0 HG23 VAL A 87 1.315 10.490 -2.236 1.00 73.14 H new