USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 744 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 82 GLN : amide:sc= 0.0351 K(o=0.69,f=-0.81) USER MOD Set 1.2: A 85 LYS NZ :NH3+ -161:sc= 0.658 (180deg=0) USER MOD Single : A 9 THR OG1 : rot -165:sc= 0.422 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.427 X(o=-0.43,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 173:sc=-0.00638 (180deg=-0.0594) USER MOD Single : A 20 LYS NZ :NH3+ 171:sc= 0.708 (180deg=0.56) USER MOD Single : A 23 GLN : amide:sc= -1.59! K(o=-1.6!,f=-0.88) USER MOD Single : A 30 THR OG1 : rot -9:sc= 0.579 USER MOD Single : A 31 THR OG1 : rot -37:sc= 0.38 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -0.757 X(o=-0.76,f=-0.41) USER MOD Single : A 44 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.013) USER MOD Single : A 45 LYS NZ :NH3+ 156:sc= 0.143 (180deg=0.0356) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0714) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 141:sc= -0.56 (180deg=-2.3!) USER MOD Single : A 61 GLN : amide:sc= -1.7! K(o=-1.7!,f=-0.42) USER MOD Single : A 62 LYS NZ :NH3+ 152:sc= -0.0627 (180deg=-0.565) USER MOD Single : A 64 LYS NZ :NH3+ -126:sc= 0.546 (180deg=-0.228) USER MOD Single : A 65 GLN : amide:sc= 0.165 X(o=0.16,f=0) USER MOD Single : A 68 ASN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 70 GLN : amide:sc= -0.0284 X(o=-0.028,f=-0.22) 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 X(o=0,f=-0.00033) USER MOD ----------------------------------------------------------------- ATOM 27 N ARG A 3 1.392 10.233 -6.847 1.00 34.44 N ATOM 28 CA ARG A 3 0.228 9.377 -6.525 1.00 10.13 C ATOM 29 C ARG A 3 0.482 8.583 -5.230 1.00 53.14 C ATOM 30 O ARG A 3 1.636 8.429 -4.790 1.00 61.34 O ATOM 31 CB ARG A 3 -0.064 8.399 -7.687 1.00 63.14 C ATOM 32 CG ARG A 3 1.021 7.321 -7.890 1.00 24.31 C ATOM 33 CD ARG A 3 0.653 6.315 -8.974 1.00 62.51 C ATOM 34 NE ARG A 3 0.614 6.916 -10.326 1.00 53.40 N ATOM 35 CZ ARG A 3 -0.480 7.004 -11.101 1.00 14.10 C ATOM 36 NH1 ARG A 3 -1.651 6.556 -10.682 1.00 23.15 N ATOM 37 NH2 ARG A 3 -0.382 7.523 -12.310 1.00 13.13 N ATOM 0 HA ARG A 3 -0.637 10.024 -6.380 1.00 10.13 H new ATOM 0 HB2 ARG A 3 -1.019 7.908 -7.503 1.00 63.14 H new ATOM 0 HB3 ARG A 3 -0.172 8.969 -8.610 1.00 63.14 H new ATOM 0 HG2 ARG A 3 1.963 7.804 -8.152 1.00 24.31 H new ATOM 0 HG3 ARG A 3 1.184 6.793 -6.950 1.00 24.31 H new ATOM 0 HD2 ARG A 3 1.375 5.498 -8.965 1.00 62.51 H new ATOM 0 HD3 ARG A 3 -0.321 5.882 -8.746 1.00 62.51 H new ATOM 0 HE ARG A 3 1.486 7.293 -10.698 1.00 53.40 H new ATOM 0 HH11 ARG A 3 -1.735 6.135 -9.757 1.00 23.15 H new ATOM 0 HH12 ARG A 3 -2.471 6.631 -11.284 1.00 23.15 H new ATOM 0 HH21 ARG A 3 0.520 7.854 -12.651 1.00 13.13 H new ATOM 0 HH22 ARG A 3 -1.209 7.593 -12.904 1.00 13.13 H new ATOM 51 N LEU A 4 -0.606 8.094 -4.625 1.00 74.30 N ATOM 52 CA LEU A 4 -0.555 7.202 -3.461 1.00 2.05 C ATOM 53 C LEU A 4 -1.119 5.822 -3.843 1.00 60.22 C ATOM 54 O LEU A 4 -2.223 5.726 -4.397 1.00 54.14 O ATOM 55 CB LEU A 4 -1.365 7.809 -2.294 1.00 12.14 C ATOM 56 CG LEU A 4 -1.151 7.142 -0.894 1.00 43.24 C ATOM 57 CD1 LEU A 4 0.290 7.353 -0.389 1.00 45.14 C ATOM 58 CD2 LEU A 4 -2.173 7.656 0.127 1.00 12.20 C ATOM 0 H LEU A 4 -1.555 8.308 -4.932 1.00 74.30 H new ATOM 0 HA LEU A 4 0.480 7.086 -3.141 1.00 2.05 H new ATOM 0 HB2 LEU A 4 -1.113 8.866 -2.214 1.00 12.14 H new ATOM 0 HB3 LEU A 4 -2.424 7.752 -2.544 1.00 12.14 H new ATOM 0 HG LEU A 4 -1.308 6.070 -1.012 1.00 43.24 H new ATOM 0 HD11 LEU A 4 0.407 6.878 0.585 1.00 45.14 H new ATOM 0 HD12 LEU A 4 0.992 6.910 -1.095 1.00 45.14 H new ATOM 0 HD13 LEU A 4 0.491 8.420 -0.299 1.00 45.14 H new ATOM 0 HD21 LEU A 4 -1.999 7.175 1.090 1.00 12.20 H new ATOM 0 HD22 LEU A 4 -2.067 8.735 0.236 1.00 12.20 H new ATOM 0 HD23 LEU A 4 -3.180 7.424 -0.218 1.00 12.20 H new ATOM 70 N VAL A 5 -0.341 4.768 -3.561 1.00 5.33 N ATOM 71 CA VAL A 5 -0.772 3.370 -3.737 1.00 13.33 C ATOM 72 C VAL A 5 -0.960 2.728 -2.353 1.00 52.15 C ATOM 73 O VAL A 5 0.010 2.547 -1.618 1.00 54.54 O ATOM 74 CB VAL A 5 0.260 2.541 -4.603 1.00 23.11 C ATOM 75 CG1 VAL A 5 -0.089 1.023 -4.646 1.00 4.55 C ATOM 76 CG2 VAL A 5 0.344 3.115 -6.041 1.00 13.53 C ATOM 0 H VAL A 5 0.610 4.859 -3.203 1.00 5.33 H new ATOM 0 HA VAL A 5 -1.717 3.362 -4.280 1.00 13.33 H new ATOM 0 HB VAL A 5 1.233 2.636 -4.121 1.00 23.11 H new ATOM 0 HG11 VAL A 5 0.648 0.497 -5.252 1.00 4.55 H new ATOM 0 HG12 VAL A 5 -0.081 0.619 -3.634 1.00 4.55 H new ATOM 0 HG13 VAL A 5 -1.079 0.889 -5.082 1.00 4.55 H new ATOM 0 HG21 VAL A 5 1.058 2.533 -6.624 1.00 13.53 H new ATOM 0 HG22 VAL A 5 -0.638 3.062 -6.512 1.00 13.53 H new ATOM 0 HG23 VAL A 5 0.670 4.154 -5.999 1.00 13.53 H new ATOM 86 N VAL A 6 -2.221 2.405 -2.007 1.00 74.03 N ATOM 87 CA VAL A 6 -2.562 1.771 -0.726 1.00 1.52 C ATOM 88 C VAL A 6 -2.628 0.250 -0.921 1.00 14.13 C ATOM 89 O VAL A 6 -3.600 -0.286 -1.436 1.00 43.52 O ATOM 90 CB VAL A 6 -3.935 2.302 -0.158 1.00 22.31 C ATOM 91 CG1 VAL A 6 -4.302 1.586 1.170 1.00 12.32 C ATOM 92 CG2 VAL A 6 -3.906 3.845 0.033 1.00 71.41 C ATOM 0 H VAL A 6 -3.027 2.577 -2.608 1.00 74.03 H new ATOM 0 HA VAL A 6 -1.789 2.024 -0.001 1.00 1.52 H new ATOM 0 HB VAL A 6 -4.708 2.071 -0.891 1.00 22.31 H new ATOM 0 HG11 VAL A 6 -5.252 1.970 1.540 1.00 12.32 H new ATOM 0 HG12 VAL A 6 -4.388 0.514 0.994 1.00 12.32 H new ATOM 0 HG13 VAL A 6 -3.523 1.770 1.910 1.00 12.32 H new ATOM 0 HG21 VAL A 6 -4.866 4.181 0.425 1.00 71.41 H new ATOM 0 HG22 VAL A 6 -3.114 4.110 0.734 1.00 71.41 H new ATOM 0 HG23 VAL A 6 -3.717 4.327 -0.926 1.00 71.41 H new ATOM 102 N VAL A 7 -1.569 -0.430 -0.529 1.00 21.42 N ATOM 103 CA VAL A 7 -1.502 -1.892 -0.584 1.00 24.33 C ATOM 104 C VAL A 7 -2.138 -2.474 0.685 1.00 2.21 C ATOM 105 O VAL A 7 -1.879 -1.998 1.782 1.00 52.54 O ATOM 106 CB VAL A 7 -0.026 -2.379 -0.718 1.00 30.03 C ATOM 107 CG1 VAL A 7 0.057 -3.905 -0.947 1.00 62.41 C ATOM 108 CG2 VAL A 7 0.724 -1.600 -1.824 1.00 34.21 C ATOM 0 H VAL A 7 -0.725 0.009 -0.161 1.00 21.42 H new ATOM 0 HA VAL A 7 -2.049 -2.237 -1.461 1.00 24.33 H new ATOM 0 HB VAL A 7 0.471 -2.170 0.229 1.00 30.03 H new ATOM 0 HG11 VAL A 7 1.102 -4.203 -1.035 1.00 62.41 H new ATOM 0 HG12 VAL A 7 -0.399 -4.425 -0.104 1.00 62.41 H new ATOM 0 HG13 VAL A 7 -0.473 -4.165 -1.863 1.00 62.41 H new ATOM 0 HG21 VAL A 7 1.750 -1.963 -1.893 1.00 34.21 H new ATOM 0 HG22 VAL A 7 0.221 -1.750 -2.779 1.00 34.21 H new ATOM 0 HG23 VAL A 7 0.730 -0.538 -1.580 1.00 34.21 H new ATOM 118 N VAL A 8 -2.977 -3.487 0.505 1.00 73.32 N ATOM 119 CA VAL A 8 -3.703 -4.173 1.580 1.00 64.31 C ATOM 120 C VAL A 8 -3.450 -5.682 1.461 1.00 63.14 C ATOM 121 O VAL A 8 -3.194 -6.190 0.360 1.00 72.20 O ATOM 122 CB VAL A 8 -5.255 -3.886 1.495 1.00 3.45 C ATOM 123 CG1 VAL A 8 -5.583 -2.392 1.765 1.00 55.03 C ATOM 124 CG2 VAL A 8 -5.824 -4.331 0.128 1.00 50.11 C ATOM 0 H VAL A 8 -3.181 -3.869 -0.419 1.00 73.32 H new ATOM 0 HA VAL A 8 -3.345 -3.802 2.540 1.00 64.31 H new ATOM 0 HB VAL A 8 -5.735 -4.473 2.278 1.00 3.45 H new ATOM 0 HG11 VAL A 8 -6.660 -2.238 1.697 1.00 55.03 H new ATOM 0 HG12 VAL A 8 -5.240 -2.119 2.763 1.00 55.03 H new ATOM 0 HG13 VAL A 8 -5.080 -1.770 1.025 1.00 55.03 H new ATOM 0 HG21 VAL A 8 -6.893 -4.123 0.094 1.00 50.11 H new ATOM 0 HG22 VAL A 8 -5.322 -3.784 -0.670 1.00 50.11 H new ATOM 0 HG23 VAL A 8 -5.658 -5.400 -0.005 1.00 50.11 H new ATOM 134 N THR A 9 -3.519 -6.388 2.585 1.00 12.13 N ATOM 135 CA THR A 9 -3.374 -7.857 2.620 1.00 24.11 C ATOM 136 C THR A 9 -4.732 -8.549 2.856 1.00 61.22 C ATOM 137 O THR A 9 -4.775 -9.745 3.166 1.00 13.53 O ATOM 138 CB THR A 9 -2.338 -8.261 3.718 1.00 52.21 C ATOM 139 OG1 THR A 9 -2.648 -7.559 4.932 1.00 1.10 O ATOM 140 CG2 THR A 9 -0.886 -7.960 3.280 1.00 20.33 C ATOM 0 H THR A 9 -3.676 -5.968 3.501 1.00 12.13 H new ATOM 0 HA THR A 9 -3.006 -8.192 1.650 1.00 24.11 H new ATOM 0 HB THR A 9 -2.407 -9.337 3.879 1.00 52.21 H new ATOM 0 HG1 THR A 9 -1.886 -7.615 5.546 1.00 1.10 H new ATOM 0 HG21 THR A 9 -0.198 -8.256 4.072 1.00 20.33 H new ATOM 0 HG22 THR A 9 -0.656 -8.519 2.373 1.00 20.33 H new ATOM 0 HG23 THR A 9 -0.778 -6.893 3.086 1.00 20.33 H new ATOM 148 N SER A 10 -5.836 -7.799 2.669 1.00 41.42 N ATOM 149 CA SER A 10 -7.198 -8.320 2.844 1.00 74.54 C ATOM 150 C SER A 10 -8.153 -7.686 1.827 1.00 33.24 C ATOM 151 O SER A 10 -8.072 -6.489 1.545 1.00 41.41 O ATOM 152 CB SER A 10 -7.687 -8.060 4.283 1.00 62.01 C ATOM 153 OG SER A 10 -9.048 -8.413 4.450 1.00 3.32 O ATOM 0 H SER A 10 -5.804 -6.818 2.393 1.00 41.42 H new ATOM 0 HA SER A 10 -7.183 -9.396 2.671 1.00 74.54 H new ATOM 0 HB2 SER A 10 -7.076 -8.630 4.983 1.00 62.01 H new ATOM 0 HB3 SER A 10 -7.553 -7.006 4.527 1.00 62.01 H new ATOM 0 HG SER A 10 -9.321 -8.236 5.374 1.00 3.32 H new ATOM 159 N GLU A 11 -9.046 -8.525 1.284 1.00 14.53 N ATOM 160 CA GLU A 11 -10.090 -8.119 0.328 1.00 23.30 C ATOM 161 C GLU A 11 -11.148 -7.223 1.002 1.00 33.03 C ATOM 162 O GLU A 11 -11.723 -6.332 0.359 1.00 13.50 O ATOM 163 CB GLU A 11 -10.750 -9.386 -0.255 1.00 42.25 C ATOM 164 CG GLU A 11 -9.754 -10.361 -0.923 1.00 33.41 C ATOM 165 CD GLU A 11 -10.406 -11.668 -1.399 1.00 44.41 C ATOM 166 OE1 GLU A 11 -10.963 -11.694 -2.518 1.00 2.14 O ATOM 167 OE2 GLU A 11 -10.376 -12.673 -0.653 1.00 21.02 O ATOM 0 H GLU A 11 -9.065 -9.522 1.499 1.00 14.53 H new ATOM 0 HA GLU A 11 -9.633 -7.537 -0.472 1.00 23.30 H new ATOM 0 HB2 GLU A 11 -11.276 -9.910 0.543 1.00 42.25 H new ATOM 0 HB3 GLU A 11 -11.499 -9.089 -0.989 1.00 42.25 H new ATOM 0 HG2 GLU A 11 -9.287 -9.865 -1.774 1.00 33.41 H new ATOM 0 HG3 GLU A 11 -8.958 -10.597 -0.216 1.00 33.41 H new ATOM 174 N GLN A 12 -11.387 -7.478 2.311 1.00 34.13 N ATOM 175 CA GLN A 12 -12.296 -6.672 3.144 1.00 53.20 C ATOM 176 C GLN A 12 -11.757 -5.236 3.265 1.00 70.00 C ATOM 177 O GLN A 12 -12.517 -4.265 3.168 1.00 4.23 O ATOM 178 CB GLN A 12 -12.456 -7.328 4.546 1.00 55.40 C ATOM 179 CG GLN A 12 -13.365 -6.548 5.534 1.00 45.44 C ATOM 180 CD GLN A 12 -13.540 -7.201 6.912 1.00 72.02 C ATOM 181 OE1 GLN A 12 -14.587 -7.061 7.546 1.00 34.53 O ATOM 182 NE2 GLN A 12 -12.523 -7.896 7.397 1.00 71.03 N ATOM 0 H GLN A 12 -10.952 -8.251 2.815 1.00 34.13 H new ATOM 0 HA GLN A 12 -13.278 -6.632 2.673 1.00 53.20 H new ATOM 0 HB2 GLN A 12 -12.862 -8.331 4.417 1.00 55.40 H new ATOM 0 HB3 GLN A 12 -11.468 -7.439 4.994 1.00 55.40 H new ATOM 0 HG2 GLN A 12 -12.951 -5.549 5.672 1.00 45.44 H new ATOM 0 HG3 GLN A 12 -14.348 -6.426 5.080 1.00 45.44 H new ATOM 0 HE21 GLN A 12 -11.667 -7.996 6.851 1.00 71.03 H new ATOM 0 HE22 GLN A 12 -12.595 -8.331 8.317 1.00 71.03 H new ATOM 191 N LEU A 13 -10.425 -5.121 3.446 1.00 65.10 N ATOM 192 CA LEU A 13 -9.731 -3.825 3.525 1.00 65.20 C ATOM 193 C LEU A 13 -9.620 -3.170 2.133 1.00 61.30 C ATOM 194 O LEU A 13 -9.605 -1.940 2.034 1.00 12.34 O ATOM 195 CB LEU A 13 -8.321 -4.000 4.148 1.00 12.24 C ATOM 196 CG LEU A 13 -8.282 -4.577 5.598 1.00 51.34 C ATOM 197 CD1 LEU A 13 -6.836 -4.728 6.113 1.00 3.02 C ATOM 198 CD2 LEU A 13 -9.143 -3.730 6.564 1.00 42.54 C ATOM 0 H LEU A 13 -9.804 -5.924 3.541 1.00 65.10 H new ATOM 0 HA LEU A 13 -10.320 -3.168 4.166 1.00 65.20 H new ATOM 0 HB2 LEU A 13 -7.738 -4.656 3.501 1.00 12.24 H new ATOM 0 HB3 LEU A 13 -7.823 -3.030 4.150 1.00 12.24 H new ATOM 0 HG LEU A 13 -8.716 -5.576 5.562 1.00 51.34 H new ATOM 0 HD11 LEU A 13 -6.851 -5.132 7.125 1.00 3.02 H new ATOM 0 HD12 LEU A 13 -6.286 -5.405 5.460 1.00 3.02 H new ATOM 0 HD13 LEU A 13 -6.348 -3.753 6.119 1.00 3.02 H new ATOM 0 HD21 LEU A 13 -9.095 -4.158 7.565 1.00 42.54 H new ATOM 0 HD22 LEU A 13 -8.765 -2.708 6.588 1.00 42.54 H new ATOM 0 HD23 LEU A 13 -10.178 -3.726 6.221 1.00 42.54 H new ATOM 210 N LYS A 14 -9.542 -4.006 1.067 1.00 23.11 N ATOM 211 CA LYS A 14 -9.390 -3.522 -0.321 1.00 23.21 C ATOM 212 C LYS A 14 -10.607 -2.692 -0.754 1.00 62.11 C ATOM 213 O LYS A 14 -10.466 -1.517 -1.131 1.00 51.12 O ATOM 214 CB LYS A 14 -9.196 -4.699 -1.311 1.00 53.31 C ATOM 215 CG LYS A 14 -8.949 -4.249 -2.771 1.00 61.45 C ATOM 216 CD LYS A 14 -8.978 -5.416 -3.784 1.00 33.31 C ATOM 217 CE LYS A 14 -8.719 -4.941 -5.222 1.00 12.22 C ATOM 218 NZ LYS A 14 -8.791 -6.049 -6.203 1.00 53.05 N ATOM 0 H LYS A 14 -9.582 -5.022 1.147 1.00 23.11 H new ATOM 0 HA LYS A 14 -8.501 -2.892 -0.342 1.00 23.21 H new ATOM 0 HB2 LYS A 14 -8.353 -5.306 -0.980 1.00 53.31 H new ATOM 0 HB3 LYS A 14 -10.079 -5.337 -1.281 1.00 53.31 H new ATOM 0 HG2 LYS A 14 -9.705 -3.516 -3.051 1.00 61.45 H new ATOM 0 HG3 LYS A 14 -7.982 -3.749 -2.831 1.00 61.45 H new ATOM 0 HD2 LYS A 14 -8.227 -6.155 -3.506 1.00 33.31 H new ATOM 0 HD3 LYS A 14 -9.947 -5.913 -3.736 1.00 33.31 H new ATOM 0 HE2 LYS A 14 -9.450 -4.177 -5.487 1.00 12.22 H new ATOM 0 HE3 LYS A 14 -7.735 -4.474 -5.276 1.00 12.22 H new ATOM 0 HZ1 LYS A 14 -8.610 -5.679 -7.158 1.00 53.05 H new ATOM 0 HZ2 LYS A 14 -8.077 -6.767 -5.968 1.00 53.05 H new ATOM 0 HZ3 LYS A 14 -9.737 -6.479 -6.172 1.00 53.05 H new ATOM 232 N GLU A 15 -11.800 -3.322 -0.685 1.00 65.04 N ATOM 233 CA GLU A 15 -13.067 -2.688 -1.076 1.00 20.33 C ATOM 234 C GLU A 15 -13.365 -1.475 -0.179 1.00 72.12 C ATOM 235 O GLU A 15 -13.953 -0.504 -0.642 1.00 41.53 O ATOM 236 CB GLU A 15 -14.255 -3.684 -1.003 1.00 24.15 C ATOM 237 CG GLU A 15 -14.519 -4.284 0.398 1.00 22.42 C ATOM 238 CD GLU A 15 -15.836 -5.060 0.477 1.00 13.22 C ATOM 239 OE1 GLU A 15 -15.930 -6.133 -0.149 1.00 43.01 O ATOM 240 OE2 GLU A 15 -16.802 -4.573 1.109 1.00 24.13 O ATOM 0 H GLU A 15 -11.906 -4.282 -0.357 1.00 65.04 H new ATOM 0 HA GLU A 15 -12.955 -2.360 -2.109 1.00 20.33 H new ATOM 0 HB2 GLU A 15 -15.158 -3.175 -1.340 1.00 24.15 H new ATOM 0 HB3 GLU A 15 -14.070 -4.499 -1.702 1.00 24.15 H new ATOM 0 HG2 GLU A 15 -13.696 -4.947 0.664 1.00 22.42 H new ATOM 0 HG3 GLU A 15 -14.532 -3.481 1.135 1.00 22.42 H new ATOM 247 N GLU A 16 -12.934 -1.563 1.099 1.00 14.53 N ATOM 248 CA GLU A 16 -13.166 -0.526 2.110 1.00 74.33 C ATOM 249 C GLU A 16 -12.441 0.777 1.733 1.00 2.42 C ATOM 250 O GLU A 16 -13.078 1.825 1.620 1.00 32.14 O ATOM 251 CB GLU A 16 -12.688 -1.032 3.490 1.00 22.35 C ATOM 252 CG GLU A 16 -12.971 -0.080 4.666 1.00 40.34 C ATOM 253 CD GLU A 16 -12.540 -0.674 6.014 1.00 1.31 C ATOM 254 OE1 GLU A 16 -13.254 -1.566 6.525 1.00 62.32 O ATOM 255 OE2 GLU A 16 -11.491 -0.264 6.562 1.00 21.40 O ATOM 0 H GLU A 16 -12.412 -2.365 1.453 1.00 14.53 H new ATOM 0 HA GLU A 16 -14.234 -0.313 2.157 1.00 74.33 H new ATOM 0 HB2 GLU A 16 -13.166 -1.990 3.694 1.00 22.35 H new ATOM 0 HB3 GLU A 16 -11.615 -1.216 3.441 1.00 22.35 H new ATOM 0 HG2 GLU A 16 -12.447 0.862 4.502 1.00 40.34 H new ATOM 0 HG3 GLU A 16 -14.036 0.149 4.697 1.00 40.34 H new ATOM 262 N VAL A 17 -11.113 0.690 1.516 1.00 3.21 N ATOM 263 CA VAL A 17 -10.280 1.852 1.139 1.00 12.51 C ATOM 264 C VAL A 17 -10.680 2.404 -0.253 1.00 53.12 C ATOM 265 O VAL A 17 -10.576 3.602 -0.487 1.00 11.33 O ATOM 266 CB VAL A 17 -8.742 1.499 1.174 1.00 52.31 C ATOM 267 CG1 VAL A 17 -7.871 2.728 0.804 1.00 3.02 C ATOM 268 CG2 VAL A 17 -8.330 0.947 2.565 1.00 25.21 C ATOM 0 H VAL A 17 -10.590 -0.182 1.596 1.00 3.21 H new ATOM 0 HA VAL A 17 -10.462 2.631 1.879 1.00 12.51 H new ATOM 0 HB VAL A 17 -8.569 0.724 0.428 1.00 52.31 H new ATOM 0 HG11 VAL A 17 -6.817 2.451 0.838 1.00 3.02 H new ATOM 0 HG12 VAL A 17 -8.126 3.065 -0.201 1.00 3.02 H new ATOM 0 HG13 VAL A 17 -8.057 3.533 1.515 1.00 3.02 H new ATOM 0 HG21 VAL A 17 -7.266 0.712 2.562 1.00 25.21 H new ATOM 0 HG22 VAL A 17 -8.534 1.697 3.329 1.00 25.21 H new ATOM 0 HG23 VAL A 17 -8.901 0.044 2.782 1.00 25.21 H new ATOM 278 N ARG A 18 -11.138 1.517 -1.166 1.00 2.40 N ATOM 279 CA ARG A 18 -11.666 1.921 -2.501 1.00 23.24 C ATOM 280 C ARG A 18 -13.049 2.595 -2.391 1.00 63.20 C ATOM 281 O ARG A 18 -13.401 3.433 -3.229 1.00 73.42 O ATOM 282 CB ARG A 18 -11.750 0.710 -3.473 1.00 53.41 C ATOM 283 CG ARG A 18 -10.386 0.200 -3.965 1.00 24.33 C ATOM 284 CD ARG A 18 -10.499 -0.981 -4.941 1.00 4.12 C ATOM 285 NE ARG A 18 -9.190 -1.394 -5.492 1.00 24.24 N ATOM 286 CZ ARG A 18 -8.874 -1.438 -6.808 1.00 34.51 C ATOM 287 NH1 ARG A 18 -9.753 -1.100 -7.740 1.00 42.42 N ATOM 288 NH2 ARG A 18 -7.672 -1.827 -7.177 1.00 3.41 N ATOM 0 H ARG A 18 -11.155 0.510 -1.006 1.00 2.40 H new ATOM 0 HA ARG A 18 -10.960 2.646 -2.905 1.00 23.24 H new ATOM 0 HB2 ARG A 18 -12.272 -0.106 -2.974 1.00 53.41 H new ATOM 0 HB3 ARG A 18 -12.352 0.993 -4.336 1.00 53.41 H new ATOM 0 HG2 ARG A 18 -9.854 1.017 -4.453 1.00 24.33 H new ATOM 0 HG3 ARG A 18 -9.787 -0.103 -3.106 1.00 24.33 H new ATOM 0 HD2 ARG A 18 -10.956 -1.828 -4.429 1.00 4.12 H new ATOM 0 HD3 ARG A 18 -11.163 -0.707 -5.761 1.00 4.12 H new ATOM 0 HE ARG A 18 -8.467 -1.668 -4.827 1.00 24.24 H new ATOM 0 HH11 ARG A 18 -10.690 -0.799 -7.472 1.00 42.42 H new ATOM 0 HH12 ARG A 18 -9.493 -1.141 -8.725 1.00 42.42 H new ATOM 0 HH21 ARG A 18 -6.984 -2.094 -6.473 1.00 3.41 H new ATOM 0 HH22 ARG A 18 -7.429 -1.862 -8.167 1.00 3.41 H new ATOM 302 N LYS A 19 -13.827 2.202 -1.365 1.00 21.25 N ATOM 303 CA LYS A 19 -15.183 2.736 -1.108 1.00 45.12 C ATOM 304 C LYS A 19 -15.064 4.158 -0.539 1.00 4.41 C ATOM 305 O LYS A 19 -15.816 5.067 -0.921 1.00 31.22 O ATOM 306 CB LYS A 19 -15.936 1.806 -0.104 1.00 21.53 C ATOM 307 CG LYS A 19 -17.426 2.142 0.131 1.00 71.11 C ATOM 308 CD LYS A 19 -18.305 1.913 -1.117 1.00 55.33 C ATOM 309 CE LYS A 19 -18.326 0.445 -1.586 1.00 52.13 C ATOM 310 NZ LYS A 19 -18.829 -0.470 -0.533 1.00 13.32 N ATOM 0 H LYS A 19 -13.533 1.501 -0.685 1.00 21.25 H new ATOM 0 HA LYS A 19 -15.750 2.770 -2.038 1.00 45.12 H new ATOM 0 HB2 LYS A 19 -15.866 0.780 -0.465 1.00 21.53 H new ATOM 0 HB3 LYS A 19 -15.419 1.842 0.855 1.00 21.53 H new ATOM 0 HG2 LYS A 19 -17.804 1.532 0.951 1.00 71.11 H new ATOM 0 HG3 LYS A 19 -17.512 3.183 0.442 1.00 71.11 H new ATOM 0 HD2 LYS A 19 -19.324 2.232 -0.899 1.00 55.33 H new ATOM 0 HD3 LYS A 19 -17.941 2.542 -1.930 1.00 55.33 H new ATOM 0 HE2 LYS A 19 -18.954 0.357 -2.472 1.00 52.13 H new ATOM 0 HE3 LYS A 19 -17.320 0.144 -1.877 1.00 52.13 H new ATOM 0 HZ1 LYS A 19 -18.938 -1.426 -0.927 1.00 13.32 H new ATOM 0 HZ2 LYS A 19 -18.152 -0.496 0.256 1.00 13.32 H new ATOM 0 HZ3 LYS A 19 -19.750 -0.130 -0.189 1.00 13.32 H new ATOM 324 N LYS A 20 -14.099 4.317 0.378 1.00 31.03 N ATOM 325 CA LYS A 20 -13.782 5.588 1.024 1.00 63.11 C ATOM 326 C LYS A 20 -13.071 6.532 0.034 1.00 0.12 C ATOM 327 O LYS A 20 -13.436 7.703 -0.098 1.00 21.43 O ATOM 328 CB LYS A 20 -12.882 5.338 2.260 1.00 64.45 C ATOM 329 CG LYS A 20 -13.521 4.478 3.373 1.00 41.30 C ATOM 330 CD LYS A 20 -12.560 4.227 4.556 1.00 12.43 C ATOM 331 CE LYS A 20 -12.160 5.522 5.278 1.00 42.54 C ATOM 332 NZ LYS A 20 -13.345 6.296 5.726 1.00 72.23 N ATOM 0 H LYS A 20 -13.509 3.548 0.694 1.00 31.03 H new ATOM 0 HA LYS A 20 -14.710 6.060 1.346 1.00 63.11 H new ATOM 0 HB2 LYS A 20 -11.964 4.853 1.929 1.00 64.45 H new ATOM 0 HB3 LYS A 20 -12.598 6.301 2.684 1.00 64.45 H new ATOM 0 HG2 LYS A 20 -14.420 4.974 3.739 1.00 41.30 H new ATOM 0 HG3 LYS A 20 -13.833 3.521 2.954 1.00 41.30 H new ATOM 0 HD2 LYS A 20 -13.034 3.551 5.267 1.00 12.43 H new ATOM 0 HD3 LYS A 20 -11.663 3.727 4.191 1.00 12.43 H new ATOM 0 HE2 LYS A 20 -11.538 5.280 6.140 1.00 42.54 H new ATOM 0 HE3 LYS A 20 -11.556 6.137 4.611 1.00 42.54 H new ATOM 0 HZ1 LYS A 20 -13.037 7.079 6.338 1.00 72.23 H new ATOM 0 HZ2 LYS A 20 -13.843 6.679 4.897 1.00 72.23 H new ATOM 0 HZ3 LYS A 20 -13.986 5.673 6.257 1.00 72.23 H new ATOM 346 N PHE A 21 -12.052 5.988 -0.663 1.00 44.22 N ATOM 347 CA PHE A 21 -11.158 6.749 -1.566 1.00 41.54 C ATOM 348 C PHE A 21 -10.856 5.918 -2.839 1.00 43.14 C ATOM 349 O PHE A 21 -9.903 5.129 -2.856 1.00 12.20 O ATOM 350 CB PHE A 21 -9.811 7.115 -0.874 1.00 64.21 C ATOM 351 CG PHE A 21 -9.938 7.676 0.540 1.00 12.45 C ATOM 352 CD1 PHE A 21 -10.214 9.027 0.772 1.00 62.43 C ATOM 353 CD2 PHE A 21 -9.758 6.844 1.637 1.00 73.02 C ATOM 354 CE1 PHE A 21 -10.306 9.510 2.065 1.00 74.52 C ATOM 355 CE2 PHE A 21 -9.857 7.329 2.912 1.00 31.12 C ATOM 356 CZ PHE A 21 -10.127 8.651 3.129 1.00 73.21 C ATOM 0 H PHE A 21 -11.822 4.995 -0.615 1.00 44.22 H new ATOM 0 HA PHE A 21 -11.674 7.672 -1.829 1.00 41.54 H new ATOM 0 HB2 PHE A 21 -9.185 6.223 -0.839 1.00 64.21 H new ATOM 0 HB3 PHE A 21 -9.290 7.846 -1.492 1.00 64.21 H new ATOM 0 HD1 PHE A 21 -10.356 9.697 -0.063 1.00 62.43 H new ATOM 0 HD2 PHE A 21 -9.537 5.798 1.481 1.00 73.02 H new ATOM 0 HE1 PHE A 21 -10.517 10.555 2.240 1.00 74.52 H new ATOM 0 HE2 PHE A 21 -9.721 6.664 3.752 1.00 31.12 H new ATOM 0 HZ PHE A 21 -10.201 9.025 4.139 1.00 73.21 H new ATOM 366 N PRO A 22 -11.684 6.049 -3.921 1.00 62.45 N ATOM 367 CA PRO A 22 -11.344 5.491 -5.264 1.00 73.53 C ATOM 368 C PRO A 22 -10.190 6.263 -5.950 1.00 3.04 C ATOM 369 O PRO A 22 -9.639 5.808 -6.959 1.00 11.21 O ATOM 370 CB PRO A 22 -12.670 5.647 -6.051 1.00 71.34 C ATOM 371 CG PRO A 22 -13.379 6.793 -5.390 1.00 63.14 C ATOM 372 CD PRO A 22 -13.030 6.692 -3.916 1.00 55.42 C ATOM 0 HA PRO A 22 -10.987 4.463 -5.210 1.00 73.53 H new ATOM 0 HB2 PRO A 22 -12.482 5.854 -7.105 1.00 71.34 H new ATOM 0 HB3 PRO A 22 -13.266 4.735 -6.006 1.00 71.34 H new ATOM 0 HG2 PRO A 22 -13.054 7.747 -5.805 1.00 63.14 H new ATOM 0 HG3 PRO A 22 -14.456 6.729 -5.543 1.00 63.14 H new ATOM 0 HD2 PRO A 22 -13.005 7.673 -3.441 1.00 55.42 H new ATOM 0 HD3 PRO A 22 -13.759 6.093 -3.371 1.00 55.42 H new ATOM 380 N GLN A 23 -9.848 7.426 -5.375 1.00 52.34 N ATOM 381 CA GLN A 23 -8.835 8.358 -5.903 1.00 11.24 C ATOM 382 C GLN A 23 -7.393 7.804 -5.780 1.00 4.25 C ATOM 383 O GLN A 23 -6.470 8.326 -6.414 1.00 21.33 O ATOM 384 CB GLN A 23 -8.976 9.708 -5.155 1.00 30.52 C ATOM 385 CG GLN A 23 -8.870 9.597 -3.610 1.00 54.11 C ATOM 386 CD GLN A 23 -9.342 10.839 -2.862 1.00 43.02 C ATOM 387 OE1 GLN A 23 -10.212 11.569 -3.328 1.00 33.54 O ATOM 388 NE2 GLN A 23 -8.781 11.084 -1.695 1.00 53.40 N ATOM 0 H GLN A 23 -10.277 7.754 -4.510 1.00 52.34 H new ATOM 0 HA GLN A 23 -9.012 8.495 -6.970 1.00 11.24 H new ATOM 0 HB2 GLN A 23 -8.205 10.390 -5.512 1.00 30.52 H new ATOM 0 HB3 GLN A 23 -9.938 10.153 -5.410 1.00 30.52 H new ATOM 0 HG2 GLN A 23 -9.457 8.741 -3.277 1.00 54.11 H new ATOM 0 HG3 GLN A 23 -7.833 9.397 -3.341 1.00 54.11 H new ATOM 0 HE21 GLN A 23 -8.060 10.459 -1.334 1.00 53.40 H new ATOM 0 HE22 GLN A 23 -9.067 11.899 -1.153 1.00 53.40 H new ATOM 397 N VAL A 24 -7.203 6.757 -4.951 1.00 71.15 N ATOM 398 CA VAL A 24 -5.890 6.099 -4.753 1.00 31.24 C ATOM 399 C VAL A 24 -5.922 4.659 -5.280 1.00 73.11 C ATOM 400 O VAL A 24 -6.984 4.016 -5.310 1.00 20.43 O ATOM 401 CB VAL A 24 -5.438 6.131 -3.240 1.00 23.40 C ATOM 402 CG1 VAL A 24 -5.143 7.578 -2.791 1.00 34.53 C ATOM 403 CG2 VAL A 24 -6.482 5.462 -2.306 1.00 44.35 C ATOM 0 H VAL A 24 -7.954 6.342 -4.399 1.00 71.15 H new ATOM 0 HA VAL A 24 -5.153 6.663 -5.324 1.00 31.24 H new ATOM 0 HB VAL A 24 -4.520 5.549 -3.162 1.00 23.40 H new ATOM 0 HG11 VAL A 24 -4.833 7.579 -1.746 1.00 34.53 H new ATOM 0 HG12 VAL A 24 -4.345 7.994 -3.406 1.00 34.53 H new ATOM 0 HG13 VAL A 24 -6.042 8.184 -2.903 1.00 34.53 H new ATOM 0 HG21 VAL A 24 -6.130 5.507 -1.275 1.00 44.35 H new ATOM 0 HG22 VAL A 24 -7.433 5.988 -2.388 1.00 44.35 H new ATOM 0 HG23 VAL A 24 -6.617 4.421 -2.598 1.00 44.35 H new ATOM 413 N GLU A 25 -4.741 4.179 -5.710 1.00 51.42 N ATOM 414 CA GLU A 25 -4.560 2.831 -6.282 1.00 4.41 C ATOM 415 C GLU A 25 -4.421 1.811 -5.141 1.00 72.13 C ATOM 416 O GLU A 25 -3.365 1.709 -4.519 1.00 0.12 O ATOM 417 CB GLU A 25 -3.302 2.769 -7.215 1.00 53.02 C ATOM 418 CG GLU A 25 -3.361 3.619 -8.506 1.00 74.13 C ATOM 419 CD GLU A 25 -3.424 5.133 -8.245 1.00 72.24 C ATOM 420 OE1 GLU A 25 -2.411 5.709 -7.807 1.00 43.20 O ATOM 421 OE2 GLU A 25 -4.488 5.752 -8.469 1.00 50.41 O ATOM 0 H GLU A 25 -3.877 4.720 -5.670 1.00 51.42 H new ATOM 0 HA GLU A 25 -5.434 2.593 -6.889 1.00 4.41 H new ATOM 0 HB2 GLU A 25 -2.433 3.084 -6.638 1.00 53.02 H new ATOM 0 HB3 GLU A 25 -3.137 1.729 -7.498 1.00 53.02 H new ATOM 0 HG2 GLU A 25 -2.484 3.400 -9.115 1.00 74.13 H new ATOM 0 HG3 GLU A 25 -4.235 3.322 -9.087 1.00 74.13 H new ATOM 428 N VAL A 26 -5.500 1.067 -4.861 1.00 53.22 N ATOM 429 CA VAL A 26 -5.531 0.120 -3.747 1.00 51.42 C ATOM 430 C VAL A 26 -5.231 -1.295 -4.273 1.00 5.22 C ATOM 431 O VAL A 26 -6.082 -1.938 -4.897 1.00 53.51 O ATOM 432 CB VAL A 26 -6.909 0.167 -2.996 1.00 21.40 C ATOM 433 CG1 VAL A 26 -6.923 -0.768 -1.754 1.00 65.21 C ATOM 434 CG2 VAL A 26 -7.263 1.629 -2.602 1.00 71.44 C ATOM 0 H VAL A 26 -6.367 1.106 -5.397 1.00 53.22 H new ATOM 0 HA VAL A 26 -4.765 0.400 -3.023 1.00 51.42 H new ATOM 0 HB VAL A 26 -7.673 -0.201 -3.680 1.00 21.40 H new ATOM 0 HG11 VAL A 26 -7.894 -0.706 -1.263 1.00 65.21 H new ATOM 0 HG12 VAL A 26 -6.741 -1.795 -2.070 1.00 65.21 H new ATOM 0 HG13 VAL A 26 -6.144 -0.459 -1.057 1.00 65.21 H new ATOM 0 HG21 VAL A 26 -8.221 1.644 -2.082 1.00 71.44 H new ATOM 0 HG22 VAL A 26 -6.488 2.027 -1.946 1.00 71.44 H new ATOM 0 HG23 VAL A 26 -7.328 2.242 -3.501 1.00 71.44 H new ATOM 444 N ARG A 27 -4.008 -1.763 -3.995 1.00 74.24 N ATOM 445 CA ARG A 27 -3.493 -3.043 -4.505 1.00 54.14 C ATOM 446 C ARG A 27 -3.711 -4.156 -3.465 1.00 25.15 C ATOM 447 O ARG A 27 -3.489 -3.946 -2.283 1.00 23.22 O ATOM 448 CB ARG A 27 -1.989 -2.904 -4.856 1.00 1.12 C ATOM 449 CG ARG A 27 -1.322 -4.206 -5.364 1.00 40.43 C ATOM 450 CD ARG A 27 -1.916 -4.735 -6.687 1.00 42.00 C ATOM 451 NE ARG A 27 -1.422 -6.091 -7.018 1.00 12.14 N ATOM 452 CZ ARG A 27 -0.527 -6.391 -7.984 1.00 73.52 C ATOM 453 NH1 ARG A 27 0.003 -5.441 -8.738 1.00 60.40 N ATOM 454 NH2 ARG A 27 -0.188 -7.656 -8.201 1.00 2.05 N ATOM 0 H ARG A 27 -3.342 -1.262 -3.406 1.00 74.24 H new ATOM 0 HA ARG A 27 -4.037 -3.312 -5.411 1.00 54.14 H new ATOM 0 HB2 ARG A 27 -1.877 -2.133 -5.618 1.00 1.12 H new ATOM 0 HB3 ARG A 27 -1.454 -2.558 -3.972 1.00 1.12 H new ATOM 0 HG2 ARG A 27 -0.256 -4.027 -5.501 1.00 40.43 H new ATOM 0 HG3 ARG A 27 -1.420 -4.976 -4.599 1.00 40.43 H new ATOM 0 HD2 ARG A 27 -3.003 -4.754 -6.613 1.00 42.00 H new ATOM 0 HD3 ARG A 27 -1.663 -4.050 -7.496 1.00 42.00 H new ATOM 0 HE ARG A 27 -1.790 -6.867 -6.468 1.00 12.14 H new ATOM 0 HH11 ARG A 27 -0.263 -4.467 -8.593 1.00 60.40 H new ATOM 0 HH12 ARG A 27 0.678 -5.683 -9.464 1.00 60.40 H new ATOM 0 HH21 ARG A 27 -0.603 -8.399 -7.639 1.00 2.05 H new ATOM 0 HH22 ARG A 27 0.488 -7.885 -8.930 1.00 2.05 H new ATOM 468 N LEU A 28 -4.147 -5.336 -3.929 1.00 51.32 N ATOM 469 CA LEU A 28 -4.402 -6.508 -3.069 1.00 32.42 C ATOM 470 C LEU A 28 -3.181 -7.448 -3.062 1.00 33.32 C ATOM 471 O LEU A 28 -2.541 -7.643 -4.104 1.00 72.25 O ATOM 472 CB LEU A 28 -5.651 -7.255 -3.586 1.00 54.15 C ATOM 473 CG LEU A 28 -6.112 -8.505 -2.768 1.00 52.30 C ATOM 474 CD1 LEU A 28 -6.442 -8.130 -1.307 1.00 64.54 C ATOM 475 CD2 LEU A 28 -7.299 -9.201 -3.461 1.00 61.25 C ATOM 0 H LEU A 28 -4.335 -5.508 -4.917 1.00 51.32 H new ATOM 0 HA LEU A 28 -4.577 -6.173 -2.047 1.00 32.42 H new ATOM 0 HB2 LEU A 28 -6.480 -6.548 -3.622 1.00 54.15 H new ATOM 0 HB3 LEU A 28 -5.458 -7.572 -4.611 1.00 54.15 H new ATOM 0 HG LEU A 28 -5.285 -9.214 -2.736 1.00 52.30 H new ATOM 0 HD11 LEU A 28 -6.759 -9.021 -0.765 1.00 64.54 H new ATOM 0 HD12 LEU A 28 -5.556 -7.712 -0.830 1.00 64.54 H new ATOM 0 HD13 LEU A 28 -7.244 -7.392 -1.293 1.00 64.54 H new ATOM 0 HD21 LEU A 28 -7.604 -10.068 -2.876 1.00 61.25 H new ATOM 0 HD22 LEU A 28 -8.134 -8.504 -3.540 1.00 61.25 H new ATOM 0 HD23 LEU A 28 -7.000 -9.523 -4.458 1.00 61.25 H new ATOM 487 N VAL A 29 -2.868 -8.005 -1.879 1.00 41.11 N ATOM 488 CA VAL A 29 -1.813 -9.017 -1.685 1.00 41.41 C ATOM 489 C VAL A 29 -2.392 -10.214 -0.900 1.00 21.34 C ATOM 490 O VAL A 29 -2.814 -10.051 0.246 1.00 61.14 O ATOM 491 CB VAL A 29 -0.570 -8.400 -0.921 1.00 64.01 C ATOM 492 CG1 VAL A 29 0.434 -9.485 -0.441 1.00 72.14 C ATOM 493 CG2 VAL A 29 0.149 -7.363 -1.818 1.00 61.30 C ATOM 0 H VAL A 29 -3.350 -7.760 -1.014 1.00 41.11 H new ATOM 0 HA VAL A 29 -1.466 -9.358 -2.660 1.00 41.41 H new ATOM 0 HB VAL A 29 -0.956 -7.905 -0.030 1.00 64.01 H new ATOM 0 HG11 VAL A 29 1.266 -9.007 0.076 1.00 72.14 H new ATOM 0 HG12 VAL A 29 -0.070 -10.172 0.239 1.00 72.14 H new ATOM 0 HG13 VAL A 29 0.811 -10.038 -1.301 1.00 72.14 H new ATOM 0 HG21 VAL A 29 1.001 -6.946 -1.281 1.00 61.30 H new ATOM 0 HG22 VAL A 29 0.497 -7.849 -2.729 1.00 61.30 H new ATOM 0 HG23 VAL A 29 -0.544 -6.562 -2.076 1.00 61.30 H new ATOM 503 N THR A 30 -2.445 -11.398 -1.542 1.00 23.31 N ATOM 504 CA THR A 30 -2.876 -12.654 -0.886 1.00 54.12 C ATOM 505 C THR A 30 -1.651 -13.484 -0.437 1.00 52.01 C ATOM 506 O THR A 30 -1.691 -14.163 0.596 1.00 54.25 O ATOM 507 CB THR A 30 -3.792 -13.502 -1.841 1.00 62.22 C ATOM 508 OG1 THR A 30 -3.087 -13.811 -3.056 1.00 32.43 O ATOM 509 CG2 THR A 30 -5.108 -12.766 -2.187 1.00 4.44 C ATOM 0 H THR A 30 -2.193 -11.513 -2.524 1.00 23.31 H new ATOM 0 HA THR A 30 -3.457 -12.389 -0.003 1.00 54.12 H new ATOM 0 HB THR A 30 -4.047 -14.420 -1.312 1.00 62.22 H new ATOM 0 HG1 THR A 30 -2.245 -13.311 -3.082 1.00 32.43 H new ATOM 0 HG21 THR A 30 -5.710 -13.389 -2.849 1.00 4.44 H new ATOM 0 HG22 THR A 30 -5.665 -12.566 -1.271 1.00 4.44 H new ATOM 0 HG23 THR A 30 -4.878 -11.824 -2.685 1.00 4.44 H new ATOM 517 N THR A 31 -0.554 -13.399 -1.219 1.00 11.12 N ATOM 518 CA THR A 31 0.704 -14.152 -0.987 1.00 11.14 C ATOM 519 C THR A 31 1.916 -13.203 -1.126 1.00 63.42 C ATOM 520 O THR A 31 1.776 -12.087 -1.643 1.00 64.15 O ATOM 521 CB THR A 31 0.856 -15.352 -1.991 1.00 24.32 C ATOM 522 OG1 THR A 31 0.894 -14.868 -3.342 1.00 43.22 O ATOM 523 CG2 THR A 31 -0.285 -16.375 -1.856 1.00 52.33 C ATOM 0 H THR A 31 -0.513 -12.798 -2.042 1.00 11.12 H new ATOM 0 HA THR A 31 0.666 -14.560 0.023 1.00 11.14 H new ATOM 0 HB THR A 31 1.791 -15.854 -1.744 1.00 24.32 H new ATOM 0 HG1 THR A 31 0.284 -14.107 -3.434 1.00 43.22 H new ATOM 0 HG21 THR A 31 -0.135 -17.184 -2.571 1.00 52.33 H new ATOM 0 HG22 THR A 31 -0.292 -16.781 -0.844 1.00 52.33 H new ATOM 0 HG23 THR A 31 -1.238 -15.886 -2.057 1.00 52.33 H new ATOM 531 N GLU A 32 3.108 -13.678 -0.691 1.00 75.42 N ATOM 532 CA GLU A 32 4.375 -12.906 -0.753 1.00 11.14 C ATOM 533 C GLU A 32 4.680 -12.448 -2.193 1.00 33.11 C ATOM 534 O GLU A 32 5.133 -11.313 -2.401 1.00 44.34 O ATOM 535 CB GLU A 32 5.564 -13.751 -0.221 1.00 34.53 C ATOM 536 CG GLU A 32 6.928 -13.020 -0.225 1.00 44.34 C ATOM 537 CD GLU A 32 8.106 -13.900 0.224 1.00 30.44 C ATOM 538 OE1 GLU A 32 8.522 -14.782 -0.555 1.00 33.53 O ATOM 539 OE2 GLU A 32 8.615 -13.707 1.349 1.00 3.22 O ATOM 0 H GLU A 32 3.219 -14.608 -0.287 1.00 75.42 H new ATOM 0 HA GLU A 32 4.248 -12.026 -0.122 1.00 11.14 H new ATOM 0 HB2 GLU A 32 5.340 -14.068 0.797 1.00 34.53 H new ATOM 0 HB3 GLU A 32 5.649 -14.654 -0.825 1.00 34.53 H new ATOM 0 HG2 GLU A 32 7.127 -12.648 -1.230 1.00 44.34 H new ATOM 0 HG3 GLU A 32 6.866 -12.151 0.430 1.00 44.34 H new ATOM 546 N GLU A 33 4.401 -13.344 -3.172 1.00 3.22 N ATOM 547 CA GLU A 33 4.663 -13.099 -4.605 1.00 53.35 C ATOM 548 C GLU A 33 3.957 -11.832 -5.101 1.00 12.24 C ATOM 549 O GLU A 33 4.559 -11.059 -5.847 1.00 20.14 O ATOM 550 CB GLU A 33 4.245 -14.308 -5.477 1.00 22.52 C ATOM 551 CG GLU A 33 5.083 -15.574 -5.238 1.00 24.10 C ATOM 552 CD GLU A 33 4.845 -16.637 -6.318 1.00 24.54 C ATOM 553 OE1 GLU A 33 3.828 -17.361 -6.248 1.00 44.02 O ATOM 554 OE2 GLU A 33 5.658 -16.727 -7.266 1.00 1.15 O ATOM 0 H GLU A 33 3.987 -14.257 -2.986 1.00 3.22 H new ATOM 0 HA GLU A 33 5.739 -12.956 -4.704 1.00 53.35 H new ATOM 0 HB2 GLU A 33 3.197 -14.537 -5.283 1.00 22.52 H new ATOM 0 HB3 GLU A 33 4.321 -14.028 -6.528 1.00 22.52 H new ATOM 0 HG2 GLU A 33 6.140 -15.310 -5.217 1.00 24.10 H new ATOM 0 HG3 GLU A 33 4.839 -15.990 -4.261 1.00 24.10 H new ATOM 561 N ASP A 34 2.694 -11.624 -4.643 1.00 11.02 N ATOM 562 CA ASP A 34 1.883 -10.435 -5.017 1.00 1.35 C ATOM 563 C ASP A 34 2.590 -9.152 -4.591 1.00 32.14 C ATOM 564 O ASP A 34 2.677 -8.213 -5.377 1.00 31.45 O ATOM 565 CB ASP A 34 0.468 -10.458 -4.379 1.00 40.24 C ATOM 566 CG ASP A 34 -0.385 -11.636 -4.845 1.00 14.11 C ATOM 567 OD1 ASP A 34 -0.696 -11.713 -6.048 1.00 43.10 O ATOM 568 OD2 ASP A 34 -0.781 -12.459 -4.016 1.00 34.20 O ATOM 0 H ASP A 34 2.215 -12.267 -4.012 1.00 11.02 H new ATOM 0 HA ASP A 34 1.771 -10.466 -6.101 1.00 1.35 H new ATOM 0 HB2 ASP A 34 0.567 -10.496 -3.294 1.00 40.24 H new ATOM 0 HB3 ASP A 34 -0.047 -9.528 -4.620 1.00 40.24 H new ATOM 573 N ALA A 35 3.123 -9.157 -3.346 1.00 13.13 N ATOM 574 CA ALA A 35 3.828 -8.007 -2.743 1.00 61.33 C ATOM 575 C ALA A 35 5.135 -7.700 -3.499 1.00 34.22 C ATOM 576 O ALA A 35 5.522 -6.534 -3.644 1.00 12.11 O ATOM 577 CB ALA A 35 4.097 -8.268 -1.246 1.00 72.40 C ATOM 0 H ALA A 35 3.074 -9.968 -2.729 1.00 13.13 H new ATOM 0 HA ALA A 35 3.188 -7.129 -2.827 1.00 61.33 H new ATOM 0 HB1 ALA A 35 4.617 -7.412 -0.815 1.00 72.40 H new ATOM 0 HB2 ALA A 35 3.150 -8.416 -0.727 1.00 72.40 H new ATOM 0 HB3 ALA A 35 4.714 -9.160 -1.137 1.00 72.40 H new ATOM 583 N LYS A 36 5.797 -8.761 -3.985 1.00 23.23 N ATOM 584 CA LYS A 36 7.025 -8.651 -4.792 1.00 74.31 C ATOM 585 C LYS A 36 6.710 -8.098 -6.200 1.00 22.42 C ATOM 586 O LYS A 36 7.548 -7.431 -6.823 1.00 11.15 O ATOM 587 CB LYS A 36 7.723 -10.030 -4.867 1.00 23.10 C ATOM 588 CG LYS A 36 8.116 -10.599 -3.485 1.00 41.32 C ATOM 589 CD LYS A 36 8.810 -11.978 -3.564 1.00 13.20 C ATOM 590 CE LYS A 36 10.158 -11.935 -4.311 1.00 33.13 C ATOM 591 NZ LYS A 36 10.870 -13.229 -4.248 1.00 11.32 N ATOM 0 H LYS A 36 5.496 -9.723 -3.830 1.00 23.23 H new ATOM 0 HA LYS A 36 7.705 -7.946 -4.314 1.00 74.31 H new ATOM 0 HB2 LYS A 36 7.061 -10.737 -5.367 1.00 23.10 H new ATOM 0 HB3 LYS A 36 8.618 -9.942 -5.483 1.00 23.10 H new ATOM 0 HG2 LYS A 36 8.781 -9.894 -2.986 1.00 41.32 H new ATOM 0 HG3 LYS A 36 7.222 -10.685 -2.868 1.00 41.32 H new ATOM 0 HD2 LYS A 36 8.973 -12.354 -2.554 1.00 13.20 H new ATOM 0 HD3 LYS A 36 8.147 -12.684 -4.064 1.00 13.20 H new ATOM 0 HE2 LYS A 36 9.986 -11.667 -5.353 1.00 33.13 H new ATOM 0 HE3 LYS A 36 10.786 -11.155 -3.881 1.00 33.13 H new ATOM 0 HZ1 LYS A 36 11.771 -13.155 -4.763 1.00 11.32 H new ATOM 0 HZ2 LYS A 36 11.058 -13.474 -3.255 1.00 11.32 H new ATOM 0 HZ3 LYS A 36 10.283 -13.970 -4.682 1.00 11.32 H new ATOM 605 N GLN A 37 5.488 -8.386 -6.687 1.00 51.13 N ATOM 606 CA GLN A 37 4.963 -7.819 -7.946 1.00 2.32 C ATOM 607 C GLN A 37 4.575 -6.345 -7.752 1.00 10.35 C ATOM 608 O GLN A 37 4.634 -5.556 -8.702 1.00 23.33 O ATOM 609 CB GLN A 37 3.754 -8.645 -8.448 1.00 33.51 C ATOM 610 CG GLN A 37 4.107 -10.109 -8.779 1.00 53.14 C ATOM 611 CD GLN A 37 2.888 -11.005 -8.999 1.00 24.11 C ATOM 612 OE1 GLN A 37 1.856 -10.552 -9.488 1.00 23.31 O ATOM 613 NE2 GLN A 37 2.993 -12.277 -8.621 1.00 31.45 N ATOM 0 H GLN A 37 4.837 -9.017 -6.220 1.00 51.13 H new ATOM 0 HA GLN A 37 5.747 -7.867 -8.702 1.00 2.32 H new ATOM 0 HB2 GLN A 37 2.973 -8.630 -7.688 1.00 33.51 H new ATOM 0 HB3 GLN A 37 3.342 -8.168 -9.338 1.00 33.51 H new ATOM 0 HG2 GLN A 37 4.727 -10.129 -9.675 1.00 53.14 H new ATOM 0 HG3 GLN A 37 4.707 -10.521 -7.967 1.00 53.14 H new ATOM 0 HE21 GLN A 37 3.866 -12.619 -8.219 1.00 31.45 H new ATOM 0 HE22 GLN A 37 2.201 -12.910 -8.734 1.00 31.45 H new ATOM 622 N VAL A 38 4.176 -5.983 -6.506 1.00 72.41 N ATOM 623 CA VAL A 38 3.916 -4.584 -6.130 1.00 20.23 C ATOM 624 C VAL A 38 5.225 -3.791 -6.181 1.00 31.13 C ATOM 625 O VAL A 38 5.217 -2.663 -6.644 1.00 24.33 O ATOM 626 CB VAL A 38 3.253 -4.422 -4.704 1.00 34.22 C ATOM 627 CG1 VAL A 38 2.958 -2.934 -4.384 1.00 61.12 C ATOM 628 CG2 VAL A 38 1.968 -5.264 -4.589 1.00 51.31 C ATOM 0 H VAL A 38 4.029 -6.649 -5.748 1.00 72.41 H new ATOM 0 HA VAL A 38 3.196 -4.196 -6.851 1.00 20.23 H new ATOM 0 HB VAL A 38 3.969 -4.790 -3.969 1.00 34.22 H new ATOM 0 HG11 VAL A 38 2.503 -2.858 -3.397 1.00 61.12 H new ATOM 0 HG12 VAL A 38 3.889 -2.367 -4.399 1.00 61.12 H new ATOM 0 HG13 VAL A 38 2.275 -2.530 -5.131 1.00 61.12 H new ATOM 0 HG21 VAL A 38 1.534 -5.132 -3.598 1.00 51.31 H new ATOM 0 HG22 VAL A 38 1.252 -4.940 -5.344 1.00 51.31 H new ATOM 0 HG23 VAL A 38 2.207 -6.316 -4.744 1.00 51.31 H new ATOM 638 N ILE A 39 6.348 -4.406 -5.731 1.00 24.11 N ATOM 639 CA ILE A 39 7.698 -3.783 -5.815 1.00 3.11 C ATOM 640 C ILE A 39 7.992 -3.326 -7.262 1.00 25.53 C ATOM 641 O ILE A 39 8.414 -2.184 -7.486 1.00 31.20 O ATOM 642 CB ILE A 39 8.835 -4.765 -5.334 1.00 51.22 C ATOM 643 CG1 ILE A 39 8.588 -5.231 -3.869 1.00 44.24 C ATOM 644 CG2 ILE A 39 10.239 -4.124 -5.473 1.00 74.15 C ATOM 645 CD1 ILE A 39 9.582 -6.261 -3.340 1.00 55.13 C ATOM 0 H ILE A 39 6.347 -5.333 -5.306 1.00 24.11 H new ATOM 0 HA ILE A 39 7.693 -2.920 -5.149 1.00 3.11 H new ATOM 0 HB ILE A 39 8.803 -5.640 -5.983 1.00 51.22 H new ATOM 0 HG12 ILE A 39 8.613 -4.357 -3.217 1.00 44.24 H new ATOM 0 HG13 ILE A 39 7.584 -5.650 -3.802 1.00 44.24 H new ATOM 0 HG21 ILE A 39 10.997 -4.830 -5.132 1.00 74.15 H new ATOM 0 HG22 ILE A 39 10.422 -3.872 -6.517 1.00 74.15 H new ATOM 0 HG23 ILE A 39 10.287 -3.219 -4.867 1.00 74.15 H new ATOM 0 HD11 ILE A 39 9.325 -6.521 -2.313 1.00 55.13 H new ATOM 0 HD12 ILE A 39 9.544 -7.156 -3.961 1.00 55.13 H new ATOM 0 HD13 ILE A 39 10.588 -5.843 -3.367 1.00 55.13 H new ATOM 657 N LYS A 40 7.717 -4.228 -8.228 1.00 33.41 N ATOM 658 CA LYS A 40 7.904 -3.957 -9.668 1.00 71.42 C ATOM 659 C LYS A 40 6.935 -2.862 -10.152 1.00 5.01 C ATOM 660 O LYS A 40 7.311 -2.011 -10.969 1.00 73.25 O ATOM 661 CB LYS A 40 7.684 -5.240 -10.506 1.00 33.35 C ATOM 662 CG LYS A 40 8.619 -6.409 -10.146 1.00 61.53 C ATOM 663 CD LYS A 40 8.454 -7.626 -11.091 1.00 1.30 C ATOM 664 CE LYS A 40 7.035 -8.220 -11.071 1.00 71.42 C ATOM 665 NZ LYS A 40 6.889 -9.334 -12.038 1.00 51.02 N ATOM 0 H LYS A 40 7.360 -5.163 -8.031 1.00 33.41 H new ATOM 0 HA LYS A 40 8.929 -3.613 -9.804 1.00 71.42 H new ATOM 0 HB2 LYS A 40 6.651 -5.566 -10.382 1.00 33.35 H new ATOM 0 HB3 LYS A 40 7.817 -4.997 -11.560 1.00 33.35 H new ATOM 0 HG2 LYS A 40 9.653 -6.065 -10.182 1.00 61.53 H new ATOM 0 HG3 LYS A 40 8.423 -6.722 -9.121 1.00 61.53 H new ATOM 0 HD2 LYS A 40 8.700 -7.324 -12.109 1.00 1.30 H new ATOM 0 HD3 LYS A 40 9.168 -8.398 -10.806 1.00 1.30 H new ATOM 0 HE2 LYS A 40 6.805 -8.578 -10.067 1.00 71.42 H new ATOM 0 HE3 LYS A 40 6.311 -7.439 -11.304 1.00 71.42 H new ATOM 0 HZ1 LYS A 40 5.919 -9.707 -11.994 1.00 51.02 H new ATOM 0 HZ2 LYS A 40 7.083 -8.987 -12.999 1.00 51.02 H new ATOM 0 HZ3 LYS A 40 7.562 -10.090 -11.800 1.00 51.02 H new ATOM 679 N GLU A 41 5.686 -2.909 -9.639 1.00 54.52 N ATOM 680 CA GLU A 41 4.622 -1.957 -10.005 1.00 64.43 C ATOM 681 C GLU A 41 4.982 -0.529 -9.552 1.00 63.32 C ATOM 682 O GLU A 41 4.734 0.424 -10.278 1.00 62.14 O ATOM 683 CB GLU A 41 3.263 -2.371 -9.375 1.00 43.34 C ATOM 684 CG GLU A 41 2.071 -1.478 -9.800 1.00 33.15 C ATOM 685 CD GLU A 41 0.812 -1.669 -8.940 1.00 21.31 C ATOM 686 OE1 GLU A 41 0.066 -2.642 -9.175 1.00 22.24 O ATOM 687 OE2 GLU A 41 0.552 -0.834 -8.039 1.00 24.51 O ATOM 0 H GLU A 41 5.390 -3.610 -8.959 1.00 54.52 H new ATOM 0 HA GLU A 41 4.529 -1.974 -11.091 1.00 64.43 H new ATOM 0 HB2 GLU A 41 3.046 -3.403 -9.651 1.00 43.34 H new ATOM 0 HB3 GLU A 41 3.355 -2.344 -8.289 1.00 43.34 H new ATOM 0 HG2 GLU A 41 2.377 -0.433 -9.751 1.00 33.15 H new ATOM 0 HG3 GLU A 41 1.824 -1.690 -10.840 1.00 33.15 H new ATOM 694 N ILE A 42 5.559 -0.407 -8.344 1.00 54.50 N ATOM 695 CA ILE A 42 5.985 0.876 -7.759 1.00 10.30 C ATOM 696 C ILE A 42 7.103 1.511 -8.610 1.00 63.23 C ATOM 697 O ILE A 42 7.122 2.726 -8.816 1.00 42.11 O ATOM 698 CB ILE A 42 6.491 0.680 -6.274 1.00 60.35 C ATOM 699 CG1 ILE A 42 5.357 0.119 -5.354 1.00 42.11 C ATOM 700 CG2 ILE A 42 7.048 1.995 -5.688 1.00 63.42 C ATOM 701 CD1 ILE A 42 5.826 -0.374 -3.983 1.00 2.03 C ATOM 0 H ILE A 42 5.745 -1.207 -7.739 1.00 54.50 H new ATOM 0 HA ILE A 42 5.122 1.542 -7.748 1.00 10.30 H new ATOM 0 HB ILE A 42 7.300 -0.050 -6.308 1.00 60.35 H new ATOM 0 HG12 ILE A 42 4.609 0.898 -5.208 1.00 42.11 H new ATOM 0 HG13 ILE A 42 4.863 -0.704 -5.871 1.00 42.11 H new ATOM 0 HG21 ILE A 42 7.387 1.823 -4.666 1.00 63.42 H new ATOM 0 HG22 ILE A 42 7.886 2.338 -6.295 1.00 63.42 H new ATOM 0 HG23 ILE A 42 6.265 2.754 -5.688 1.00 63.42 H new ATOM 0 HD11 ILE A 42 4.971 -0.744 -3.417 1.00 2.03 H new ATOM 0 HD12 ILE A 42 6.550 -1.178 -4.114 1.00 2.03 H new ATOM 0 HD13 ILE A 42 6.292 0.449 -3.440 1.00 2.03 H new ATOM 713 N GLN A 43 8.029 0.662 -9.094 1.00 44.54 N ATOM 714 CA GLN A 43 9.167 1.091 -9.933 1.00 12.22 C ATOM 715 C GLN A 43 8.683 1.547 -11.329 1.00 11.10 C ATOM 716 O GLN A 43 9.149 2.566 -11.859 1.00 24.33 O ATOM 717 CB GLN A 43 10.205 -0.063 -10.044 1.00 42.23 C ATOM 718 CG GLN A 43 10.838 -0.465 -8.689 1.00 1.31 C ATOM 719 CD GLN A 43 11.841 -1.626 -8.778 1.00 60.33 C ATOM 720 OE1 GLN A 43 12.499 -1.820 -9.798 1.00 12.22 O ATOM 721 NE2 GLN A 43 11.986 -2.383 -7.697 1.00 54.41 N ATOM 0 H GLN A 43 8.010 -0.342 -8.915 1.00 44.54 H new ATOM 0 HA GLN A 43 9.650 1.947 -9.461 1.00 12.22 H new ATOM 0 HB2 GLN A 43 9.719 -0.936 -10.481 1.00 42.23 H new ATOM 0 HB3 GLN A 43 10.997 0.238 -10.730 1.00 42.23 H new ATOM 0 HG2 GLN A 43 11.342 0.403 -8.265 1.00 1.31 H new ATOM 0 HG3 GLN A 43 10.042 -0.740 -7.997 1.00 1.31 H new ATOM 0 HE21 GLN A 43 11.425 -2.197 -6.865 1.00 54.41 H new ATOM 0 HE22 GLN A 43 12.658 -3.150 -7.698 1.00 54.41 H new ATOM 730 N LYS A 44 7.729 0.779 -11.889 1.00 61.02 N ATOM 731 CA LYS A 44 7.138 1.022 -13.224 1.00 12.13 C ATOM 732 C LYS A 44 6.283 2.300 -13.236 1.00 52.11 C ATOM 733 O LYS A 44 6.463 3.179 -14.086 1.00 41.35 O ATOM 734 CB LYS A 44 6.282 -0.218 -13.650 1.00 22.15 C ATOM 735 CG LYS A 44 5.512 -0.065 -14.985 1.00 11.24 C ATOM 736 CD LYS A 44 6.433 0.231 -16.197 1.00 74.43 C ATOM 737 CE LYS A 44 5.632 0.452 -17.494 1.00 54.04 C ATOM 738 NZ LYS A 44 4.900 -0.770 -17.924 1.00 25.22 N ATOM 0 H LYS A 44 7.340 -0.040 -11.422 1.00 61.02 H new ATOM 0 HA LYS A 44 7.947 1.166 -13.940 1.00 12.13 H new ATOM 0 HB2 LYS A 44 6.940 -1.084 -13.727 1.00 22.15 H new ATOM 0 HB3 LYS A 44 5.564 -0.432 -12.858 1.00 22.15 H new ATOM 0 HG2 LYS A 44 4.951 -0.979 -15.179 1.00 11.24 H new ATOM 0 HG3 LYS A 44 4.784 0.740 -14.886 1.00 11.24 H new ATOM 0 HD2 LYS A 44 7.034 1.116 -15.987 1.00 74.43 H new ATOM 0 HD3 LYS A 44 7.126 -0.599 -16.336 1.00 74.43 H new ATOM 0 HE2 LYS A 44 4.921 1.264 -17.345 1.00 54.04 H new ATOM 0 HE3 LYS A 44 6.310 0.764 -18.288 1.00 54.04 H new ATOM 0 HZ1 LYS A 44 4.418 -0.586 -18.827 1.00 25.22 H new ATOM 0 HZ2 LYS A 44 5.573 -1.554 -18.044 1.00 25.22 H new ATOM 0 HZ3 LYS A 44 4.197 -1.025 -17.202 1.00 25.22 H new ATOM 752 N LYS A 45 5.381 2.389 -12.262 1.00 11.10 N ATOM 753 CA LYS A 45 4.386 3.461 -12.149 1.00 65.33 C ATOM 754 C LYS A 45 5.036 4.723 -11.534 1.00 13.35 C ATOM 755 O LYS A 45 4.531 5.831 -11.708 1.00 23.12 O ATOM 756 CB LYS A 45 3.201 2.925 -11.301 1.00 2.00 C ATOM 757 CG LYS A 45 1.899 3.747 -11.345 1.00 42.52 C ATOM 758 CD LYS A 45 0.775 3.115 -10.481 1.00 4.23 C ATOM 759 CE LYS A 45 0.348 1.712 -10.949 1.00 52.11 C ATOM 760 NZ LYS A 45 -0.676 1.108 -10.056 1.00 14.22 N ATOM 0 H LYS A 45 5.317 1.703 -11.510 1.00 11.10 H new ATOM 0 HA LYS A 45 4.007 3.755 -13.128 1.00 65.33 H new ATOM 0 HB2 LYS A 45 2.976 1.911 -11.631 1.00 2.00 H new ATOM 0 HB3 LYS A 45 3.527 2.857 -10.263 1.00 2.00 H new ATOM 0 HG2 LYS A 45 2.099 4.759 -10.994 1.00 42.52 H new ATOM 0 HG3 LYS A 45 1.558 3.829 -12.377 1.00 42.52 H new ATOM 0 HD2 LYS A 45 1.114 3.056 -9.447 1.00 4.23 H new ATOM 0 HD3 LYS A 45 -0.094 3.773 -10.494 1.00 4.23 H new ATOM 0 HE2 LYS A 45 -0.048 1.774 -11.963 1.00 52.11 H new ATOM 0 HE3 LYS A 45 1.222 1.062 -10.988 1.00 52.11 H new ATOM 0 HZ1 LYS A 45 -1.220 0.396 -10.584 1.00 14.22 H new ATOM 0 HZ2 LYS A 45 -0.207 0.655 -9.246 1.00 14.22 H new ATOM 0 HZ3 LYS A 45 -1.319 1.850 -9.713 1.00 14.22 H new ATOM 774 N GLY A 46 6.167 4.518 -10.819 1.00 15.15 N ATOM 775 CA GLY A 46 7.000 5.615 -10.295 1.00 13.45 C ATOM 776 C GLY A 46 6.401 6.268 -9.064 1.00 73.14 C ATOM 777 O GLY A 46 6.347 7.498 -8.966 1.00 3.52 O ATOM 0 H GLY A 46 6.523 3.589 -10.592 1.00 15.15 H new ATOM 0 HA2 GLY A 46 7.990 5.230 -10.051 1.00 13.45 H new ATOM 0 HA3 GLY A 46 7.133 6.368 -11.072 1.00 13.45 H new ATOM 781 N VAL A 47 5.947 5.435 -8.121 1.00 13.22 N ATOM 782 CA VAL A 47 5.204 5.884 -6.932 1.00 44.05 C ATOM 783 C VAL A 47 6.188 6.293 -5.820 1.00 50.44 C ATOM 784 O VAL A 47 6.989 5.464 -5.376 1.00 64.33 O ATOM 785 CB VAL A 47 4.259 4.743 -6.407 1.00 15.13 C ATOM 786 CG1 VAL A 47 3.290 5.272 -5.317 1.00 30.41 C ATOM 787 CG2 VAL A 47 3.494 4.063 -7.574 1.00 72.03 C ATOM 0 H VAL A 47 6.084 4.425 -8.159 1.00 13.22 H new ATOM 0 HA VAL A 47 4.595 6.744 -7.211 1.00 44.05 H new ATOM 0 HB VAL A 47 4.885 3.981 -5.942 1.00 15.13 H new ATOM 0 HG11 VAL A 47 2.650 4.459 -4.974 1.00 30.41 H new ATOM 0 HG12 VAL A 47 3.865 5.660 -4.476 1.00 30.41 H new ATOM 0 HG13 VAL A 47 2.674 6.069 -5.734 1.00 30.41 H new ATOM 0 HG21 VAL A 47 2.849 3.279 -7.178 1.00 72.03 H new ATOM 0 HG22 VAL A 47 2.887 4.805 -8.092 1.00 72.03 H new ATOM 0 HG23 VAL A 47 4.208 3.627 -8.272 1.00 72.03 H new ATOM 797 N GLN A 48 6.139 7.568 -5.392 1.00 71.13 N ATOM 798 CA GLN A 48 7.011 8.090 -4.316 1.00 72.32 C ATOM 799 C GLN A 48 6.574 7.547 -2.940 1.00 23.33 C ATOM 800 O GLN A 48 7.385 6.993 -2.185 1.00 43.03 O ATOM 801 CB GLN A 48 6.996 9.642 -4.294 1.00 60.13 C ATOM 802 CG GLN A 48 7.514 10.311 -5.581 1.00 5.14 C ATOM 803 CD GLN A 48 7.454 11.841 -5.514 1.00 44.22 C ATOM 804 OE1 GLN A 48 6.443 12.450 -5.865 1.00 15.33 O ATOM 805 NE2 GLN A 48 8.522 12.469 -5.045 1.00 73.41 N ATOM 0 H GLN A 48 5.500 8.263 -5.777 1.00 71.13 H new ATOM 0 HA GLN A 48 8.026 7.750 -4.522 1.00 72.32 H new ATOM 0 HB2 GLN A 48 5.976 9.979 -4.111 1.00 60.13 H new ATOM 0 HB3 GLN A 48 7.600 9.985 -3.454 1.00 60.13 H new ATOM 0 HG2 GLN A 48 8.543 9.999 -5.760 1.00 5.14 H new ATOM 0 HG3 GLN A 48 6.924 9.965 -6.429 1.00 5.14 H new ATOM 0 HE21 GLN A 48 9.344 11.936 -4.762 1.00 73.41 H new ATOM 0 HE22 GLN A 48 8.522 13.486 -4.966 1.00 73.41 H new ATOM 814 N LYS A 49 5.276 7.705 -2.637 1.00 45.04 N ATOM 815 CA LYS A 49 4.706 7.346 -1.329 1.00 51.33 C ATOM 816 C LYS A 49 3.712 6.191 -1.492 1.00 34.25 C ATOM 817 O LYS A 49 2.747 6.281 -2.253 1.00 11.33 O ATOM 818 CB LYS A 49 4.018 8.582 -0.680 1.00 64.32 C ATOM 819 CG LYS A 49 5.005 9.678 -0.203 1.00 10.15 C ATOM 820 CD LYS A 49 4.308 10.818 0.582 1.00 64.13 C ATOM 821 CE LYS A 49 3.500 11.772 -0.307 1.00 24.42 C ATOM 822 NZ LYS A 49 4.387 12.587 -1.181 1.00 2.13 N ATOM 0 H LYS A 49 4.592 8.085 -3.292 1.00 45.04 H new ATOM 0 HA LYS A 49 5.510 7.021 -0.668 1.00 51.33 H new ATOM 0 HB2 LYS A 49 3.327 9.019 -1.400 1.00 64.32 H new ATOM 0 HB3 LYS A 49 3.423 8.248 0.171 1.00 64.32 H new ATOM 0 HG2 LYS A 49 5.768 9.223 0.429 1.00 10.15 H new ATOM 0 HG3 LYS A 49 5.517 10.100 -1.068 1.00 10.15 H new ATOM 0 HD2 LYS A 49 3.645 10.381 1.328 1.00 64.13 H new ATOM 0 HD3 LYS A 49 5.063 11.390 1.122 1.00 64.13 H new ATOM 0 HE2 LYS A 49 2.808 11.198 -0.923 1.00 24.42 H new ATOM 0 HE3 LYS A 49 2.898 12.431 0.318 1.00 24.42 H new ATOM 0 HZ1 LYS A 49 3.829 13.334 -1.642 1.00 2.13 H new ATOM 0 HZ2 LYS A 49 5.138 13.020 -0.606 1.00 2.13 H new ATOM 0 HZ3 LYS A 49 4.815 11.977 -1.906 1.00 2.13 H new ATOM 836 N VAL A 50 4.007 5.097 -0.784 1.00 11.41 N ATOM 837 CA VAL A 50 3.194 3.869 -0.745 1.00 21.11 C ATOM 838 C VAL A 50 2.707 3.650 0.701 1.00 52.42 C ATOM 839 O VAL A 50 3.391 4.015 1.655 1.00 45.44 O ATOM 840 CB VAL A 50 4.045 2.627 -1.227 1.00 73.10 C ATOM 841 CG1 VAL A 50 3.212 1.314 -1.254 1.00 70.00 C ATOM 842 CG2 VAL A 50 4.677 2.907 -2.615 1.00 3.30 C ATOM 0 H VAL A 50 4.843 5.035 -0.203 1.00 11.41 H new ATOM 0 HA VAL A 50 2.340 3.973 -1.414 1.00 21.11 H new ATOM 0 HB VAL A 50 4.843 2.481 -0.499 1.00 73.10 H new ATOM 0 HG11 VAL A 50 3.841 0.491 -1.592 1.00 70.00 H new ATOM 0 HG12 VAL A 50 2.839 1.099 -0.252 1.00 70.00 H new ATOM 0 HG13 VAL A 50 2.370 1.431 -1.937 1.00 70.00 H new ATOM 0 HG21 VAL A 50 5.259 2.041 -2.931 1.00 3.30 H new ATOM 0 HG22 VAL A 50 3.888 3.099 -3.342 1.00 3.30 H new ATOM 0 HG23 VAL A 50 5.329 3.778 -2.549 1.00 3.30 H new ATOM 852 N VAL A 51 1.510 3.083 0.839 1.00 52.34 N ATOM 853 CA VAL A 51 0.913 2.705 2.129 1.00 75.33 C ATOM 854 C VAL A 51 0.817 1.172 2.195 1.00 71.42 C ATOM 855 O VAL A 51 0.449 0.543 1.211 1.00 64.31 O ATOM 856 CB VAL A 51 -0.517 3.354 2.289 1.00 5.41 C ATOM 857 CG1 VAL A 51 -1.265 2.822 3.531 1.00 12.23 C ATOM 858 CG2 VAL A 51 -0.414 4.894 2.341 1.00 43.33 C ATOM 0 H VAL A 51 0.911 2.867 0.042 1.00 52.34 H new ATOM 0 HA VAL A 51 1.538 3.071 2.944 1.00 75.33 H new ATOM 0 HB VAL A 51 -1.098 3.067 1.413 1.00 5.41 H new ATOM 0 HG11 VAL A 51 -2.243 3.298 3.598 1.00 12.23 H new ATOM 0 HG12 VAL A 51 -1.392 1.743 3.445 1.00 12.23 H new ATOM 0 HG13 VAL A 51 -0.689 3.049 4.428 1.00 12.23 H new ATOM 0 HG21 VAL A 51 -1.410 5.322 2.451 1.00 43.33 H new ATOM 0 HG22 VAL A 51 0.204 5.189 3.189 1.00 43.33 H new ATOM 0 HG23 VAL A 51 0.038 5.260 1.419 1.00 43.33 H new ATOM 868 N LEU A 52 1.190 0.581 3.340 1.00 12.30 N ATOM 869 CA LEU A 52 1.063 -0.869 3.584 1.00 24.02 C ATOM 870 C LEU A 52 0.133 -1.095 4.798 1.00 5.31 C ATOM 871 O LEU A 52 0.505 -0.804 5.947 1.00 51.23 O ATOM 872 CB LEU A 52 2.463 -1.505 3.807 1.00 30.53 C ATOM 873 CG LEU A 52 3.437 -1.504 2.576 1.00 61.42 C ATOM 874 CD1 LEU A 52 4.777 -2.169 2.916 1.00 31.41 C ATOM 875 CD2 LEU A 52 2.814 -2.174 1.346 1.00 71.21 C ATOM 0 H LEU A 52 1.589 1.094 4.126 1.00 12.30 H new ATOM 0 HA LEU A 52 0.623 -1.356 2.713 1.00 24.02 H new ATOM 0 HB2 LEU A 52 2.950 -0.978 4.628 1.00 30.53 H new ATOM 0 HB3 LEU A 52 2.322 -2.537 4.129 1.00 30.53 H new ATOM 0 HG LEU A 52 3.621 -0.458 2.332 1.00 61.42 H new ATOM 0 HD11 LEU A 52 5.425 -2.150 2.040 1.00 31.41 H new ATOM 0 HD12 LEU A 52 5.255 -1.628 3.733 1.00 31.41 H new ATOM 0 HD13 LEU A 52 4.604 -3.202 3.217 1.00 31.41 H new ATOM 0 HD21 LEU A 52 3.524 -2.150 0.520 1.00 71.21 H new ATOM 0 HD22 LEU A 52 2.567 -3.209 1.582 1.00 71.21 H new ATOM 0 HD23 LEU A 52 1.907 -1.640 1.061 1.00 71.21 H new ATOM 887 N VAL A 53 -1.093 -1.582 4.513 1.00 74.00 N ATOM 888 CA VAL A 53 -2.166 -1.768 5.510 1.00 72.44 C ATOM 889 C VAL A 53 -2.217 -3.231 6.001 1.00 11.32 C ATOM 890 O VAL A 53 -2.480 -4.153 5.210 1.00 73.12 O ATOM 891 CB VAL A 53 -3.586 -1.359 4.946 1.00 64.21 C ATOM 892 CG1 VAL A 53 -4.694 -1.490 6.034 1.00 42.42 C ATOM 893 CG2 VAL A 53 -3.569 0.072 4.356 1.00 64.41 C ATOM 0 H VAL A 53 -1.368 -1.860 3.571 1.00 74.00 H new ATOM 0 HA VAL A 53 -1.927 -1.109 6.345 1.00 72.44 H new ATOM 0 HB VAL A 53 -3.822 -2.055 4.141 1.00 64.21 H new ATOM 0 HG11 VAL A 53 -5.656 -1.201 5.610 1.00 42.42 H new ATOM 0 HG12 VAL A 53 -4.745 -2.523 6.379 1.00 42.42 H new ATOM 0 HG13 VAL A 53 -4.457 -0.838 6.875 1.00 42.42 H new ATOM 0 HG21 VAL A 53 -4.560 0.321 3.977 1.00 64.41 H new ATOM 0 HG22 VAL A 53 -3.288 0.783 5.133 1.00 64.41 H new ATOM 0 HG23 VAL A 53 -2.847 0.121 3.541 1.00 64.41 H new ATOM 903 N GLY A 54 -1.950 -3.414 7.312 1.00 51.54 N ATOM 904 CA GLY A 54 -2.091 -4.704 7.987 1.00 33.55 C ATOM 905 C GLY A 54 -1.132 -5.770 7.478 1.00 52.41 C ATOM 906 O GLY A 54 -1.486 -6.952 7.434 1.00 75.42 O ATOM 0 H GLY A 54 -1.631 -2.664 7.925 1.00 51.54 H new ATOM 0 HA2 GLY A 54 -1.930 -4.564 9.056 1.00 33.55 H new ATOM 0 HA3 GLY A 54 -3.114 -5.059 7.862 1.00 33.55 H new ATOM 910 N VAL A 55 0.086 -5.351 7.093 1.00 74.32 N ATOM 911 CA VAL A 55 1.118 -6.250 6.529 1.00 32.33 C ATOM 912 C VAL A 55 2.079 -6.722 7.641 1.00 21.31 C ATOM 913 O VAL A 55 2.139 -6.119 8.722 1.00 12.22 O ATOM 914 CB VAL A 55 1.945 -5.532 5.380 1.00 2.04 C ATOM 915 CG1 VAL A 55 1.010 -4.985 4.272 1.00 63.22 C ATOM 916 CG2 VAL A 55 2.848 -4.409 5.948 1.00 32.12 C ATOM 0 H VAL A 55 0.387 -4.379 7.163 1.00 74.32 H new ATOM 0 HA VAL A 55 0.608 -7.111 6.098 1.00 32.33 H new ATOM 0 HB VAL A 55 2.594 -6.283 4.930 1.00 2.04 H new ATOM 0 HG11 VAL A 55 1.606 -4.499 3.500 1.00 63.22 H new ATOM 0 HG12 VAL A 55 0.447 -5.808 3.832 1.00 63.22 H new ATOM 0 HG13 VAL A 55 0.318 -4.262 4.704 1.00 63.22 H new ATOM 0 HG21 VAL A 55 3.400 -3.939 5.134 1.00 32.12 H new ATOM 0 HG22 VAL A 55 2.230 -3.662 6.446 1.00 32.12 H new ATOM 0 HG23 VAL A 55 3.551 -4.835 6.664 1.00 32.12 H new ATOM 926 N SER A 56 2.827 -7.794 7.352 1.00 55.33 N ATOM 927 CA SER A 56 3.930 -8.265 8.203 1.00 72.32 C ATOM 928 C SER A 56 5.146 -7.359 7.965 1.00 44.51 C ATOM 929 O SER A 56 5.262 -6.777 6.880 1.00 64.22 O ATOM 930 CB SER A 56 4.273 -9.735 7.858 1.00 34.40 C ATOM 931 OG SER A 56 4.631 -9.886 6.489 1.00 73.55 O ATOM 0 H SER A 56 2.684 -8.363 6.517 1.00 55.33 H new ATOM 0 HA SER A 56 3.641 -8.222 9.253 1.00 72.32 H new ATOM 0 HB2 SER A 56 5.095 -10.074 8.488 1.00 34.40 H new ATOM 0 HB3 SER A 56 3.416 -10.371 8.082 1.00 34.40 H new ATOM 0 HG SER A 56 4.843 -10.826 6.308 1.00 73.55 H new ATOM 937 N GLU A 57 6.047 -7.243 8.962 1.00 61.10 N ATOM 938 CA GLU A 57 7.288 -6.441 8.826 1.00 43.41 C ATOM 939 C GLU A 57 8.277 -7.132 7.863 1.00 50.22 C ATOM 940 O GLU A 57 9.181 -6.482 7.316 1.00 74.44 O ATOM 941 CB GLU A 57 7.969 -6.165 10.194 1.00 2.23 C ATOM 942 CG GLU A 57 8.549 -7.398 10.915 1.00 22.03 C ATOM 943 CD GLU A 57 9.410 -7.016 12.132 1.00 60.53 C ATOM 944 OE1 GLU A 57 10.635 -6.793 11.965 1.00 23.44 O ATOM 945 OE2 GLU A 57 8.872 -6.906 13.255 1.00 0.34 O ATOM 0 H GLU A 57 5.942 -7.693 9.871 1.00 61.10 H new ATOM 0 HA GLU A 57 6.999 -5.476 8.411 1.00 43.41 H new ATOM 0 HB2 GLU A 57 8.774 -5.446 10.040 1.00 2.23 H new ATOM 0 HB3 GLU A 57 7.241 -5.692 10.852 1.00 2.23 H new ATOM 0 HG2 GLU A 57 7.732 -8.043 11.239 1.00 22.03 H new ATOM 0 HG3 GLU A 57 9.152 -7.975 10.214 1.00 22.03 H new ATOM 952 N LYS A 58 8.084 -8.461 7.671 1.00 55.22 N ATOM 953 CA LYS A 58 8.839 -9.264 6.691 1.00 51.44 C ATOM 954 C LYS A 58 8.562 -8.753 5.263 1.00 61.44 C ATOM 955 O LYS A 58 9.471 -8.723 4.425 1.00 2.01 O ATOM 956 CB LYS A 58 8.456 -10.769 6.808 1.00 74.55 C ATOM 957 CG LYS A 58 8.635 -11.375 8.222 1.00 43.12 C ATOM 958 CD LYS A 58 10.094 -11.344 8.759 1.00 0.34 C ATOM 959 CE LYS A 58 11.015 -12.420 8.145 1.00 53.01 C ATOM 960 NZ LYS A 58 11.303 -12.207 6.701 1.00 10.40 N ATOM 0 H LYS A 58 7.397 -9.002 8.196 1.00 55.22 H new ATOM 0 HA LYS A 58 9.903 -9.161 6.903 1.00 51.44 H new ATOM 0 HB2 LYS A 58 7.416 -10.890 6.505 1.00 74.55 H new ATOM 0 HB3 LYS A 58 9.061 -11.340 6.104 1.00 74.55 H new ATOM 0 HG2 LYS A 58 7.994 -10.835 8.918 1.00 43.12 H new ATOM 0 HG3 LYS A 58 8.289 -12.409 8.207 1.00 43.12 H new ATOM 0 HD2 LYS A 58 10.521 -10.361 8.563 1.00 0.34 H new ATOM 0 HD3 LYS A 58 10.074 -11.473 9.841 1.00 0.34 H new ATOM 0 HE2 LYS A 58 11.956 -12.438 8.695 1.00 53.01 H new ATOM 0 HE3 LYS A 58 10.552 -13.398 8.274 1.00 53.01 H new ATOM 0 HZ1 LYS A 58 12.296 -12.447 6.506 1.00 10.40 H new ATOM 0 HZ2 LYS A 58 10.682 -12.814 6.130 1.00 10.40 H new ATOM 0 HZ3 LYS A 58 11.133 -11.211 6.456 1.00 10.40 H new ATOM 974 N LEU A 59 7.297 -8.355 5.010 1.00 14.25 N ATOM 975 CA LEU A 59 6.885 -7.727 3.744 1.00 51.35 C ATOM 976 C LEU A 59 7.171 -6.218 3.768 1.00 45.13 C ATOM 977 O LEU A 59 7.635 -5.674 2.783 1.00 24.22 O ATOM 978 CB LEU A 59 5.373 -7.965 3.451 1.00 51.55 C ATOM 979 CG LEU A 59 4.961 -9.422 3.071 1.00 73.53 C ATOM 980 CD1 LEU A 59 3.436 -9.545 2.885 1.00 14.15 C ATOM 981 CD2 LEU A 59 5.715 -9.906 1.810 1.00 51.13 C ATOM 0 H LEU A 59 6.535 -8.462 5.680 1.00 14.25 H new ATOM 0 HA LEU A 59 7.468 -8.193 2.949 1.00 51.35 H new ATOM 0 HB2 LEU A 59 4.803 -7.667 4.331 1.00 51.55 H new ATOM 0 HB3 LEU A 59 5.074 -7.302 2.639 1.00 51.55 H new ATOM 0 HG LEU A 59 5.246 -10.069 3.900 1.00 73.53 H new ATOM 0 HD11 LEU A 59 3.183 -10.572 2.621 1.00 14.15 H new ATOM 0 HD12 LEU A 59 2.933 -9.275 3.814 1.00 14.15 H new ATOM 0 HD13 LEU A 59 3.111 -8.875 2.089 1.00 14.15 H new ATOM 0 HD21 LEU A 59 5.407 -10.924 1.570 1.00 51.13 H new ATOM 0 HD22 LEU A 59 5.482 -9.249 0.972 1.00 51.13 H new ATOM 0 HD23 LEU A 59 6.788 -9.887 1.998 1.00 51.13 H new ATOM 993 N LEU A 60 6.906 -5.564 4.915 1.00 21.11 N ATOM 994 CA LEU A 60 6.925 -4.090 5.037 1.00 4.01 C ATOM 995 C LEU A 60 8.305 -3.532 4.687 1.00 52.11 C ATOM 996 O LEU A 60 8.451 -2.752 3.738 1.00 15.31 O ATOM 997 CB LEU A 60 6.486 -3.666 6.473 1.00 32.33 C ATOM 998 CG LEU A 60 6.195 -2.133 6.741 1.00 33.11 C ATOM 999 CD1 LEU A 60 5.253 -1.952 7.949 1.00 50.41 C ATOM 1000 CD2 LEU A 60 7.489 -1.296 6.958 1.00 74.34 C ATOM 0 H LEU A 60 6.672 -6.042 5.785 1.00 21.11 H new ATOM 0 HA LEU A 60 6.214 -3.670 4.326 1.00 4.01 H new ATOM 0 HB2 LEU A 60 5.585 -4.226 6.725 1.00 32.33 H new ATOM 0 HB3 LEU A 60 7.264 -3.984 7.167 1.00 32.33 H new ATOM 0 HG LEU A 60 5.711 -1.758 5.839 1.00 33.11 H new ATOM 0 HD11 LEU A 60 5.069 -0.890 8.111 1.00 50.41 H new ATOM 0 HD12 LEU A 60 4.308 -2.458 7.752 1.00 50.41 H new ATOM 0 HD13 LEU A 60 5.715 -2.380 8.838 1.00 50.41 H new ATOM 0 HD21 LEU A 60 7.223 -0.254 7.137 1.00 74.34 H new ATOM 0 HD22 LEU A 60 8.033 -1.684 7.819 1.00 74.34 H new ATOM 0 HD23 LEU A 60 8.118 -1.362 6.071 1.00 74.34 H new ATOM 1012 N GLN A 61 9.306 -3.967 5.462 1.00 72.22 N ATOM 1013 CA GLN A 61 10.685 -3.473 5.362 1.00 24.12 C ATOM 1014 C GLN A 61 11.328 -3.913 4.043 1.00 5.33 C ATOM 1015 O GLN A 61 12.118 -3.170 3.469 1.00 71.25 O ATOM 1016 CB GLN A 61 11.509 -3.957 6.580 1.00 41.44 C ATOM 1017 CG GLN A 61 10.884 -3.556 7.937 1.00 24.45 C ATOM 1018 CD GLN A 61 11.669 -4.050 9.155 1.00 72.54 C ATOM 1019 OE1 GLN A 61 12.890 -4.174 9.114 1.00 23.02 O ATOM 1020 NE2 GLN A 61 10.970 -4.356 10.236 1.00 51.14 N ATOM 0 H GLN A 61 9.181 -4.678 6.182 1.00 72.22 H new ATOM 0 HA GLN A 61 10.670 -2.383 5.369 1.00 24.12 H new ATOM 0 HB2 GLN A 61 11.604 -5.042 6.538 1.00 41.44 H new ATOM 0 HB3 GLN A 61 12.516 -3.546 6.516 1.00 41.44 H new ATOM 0 HG2 GLN A 61 10.808 -2.470 7.983 1.00 24.45 H new ATOM 0 HG3 GLN A 61 9.869 -3.949 7.988 1.00 24.45 H new ATOM 0 HE21 GLN A 61 9.956 -4.241 10.237 1.00 51.14 H new ATOM 0 HE22 GLN A 61 11.445 -4.706 11.068 1.00 51.14 H new ATOM 1029 N LYS A 62 10.952 -5.111 3.555 1.00 65.30 N ATOM 1030 CA LYS A 62 11.482 -5.652 2.292 1.00 63.21 C ATOM 1031 C LYS A 62 11.017 -4.793 1.101 1.00 32.01 C ATOM 1032 O LYS A 62 11.848 -4.284 0.359 1.00 51.54 O ATOM 1033 CB LYS A 62 11.073 -7.128 2.090 1.00 20.13 C ATOM 1034 CG LYS A 62 11.593 -7.763 0.771 1.00 40.31 C ATOM 1035 CD LYS A 62 11.290 -9.272 0.667 1.00 11.42 C ATOM 1036 CE LYS A 62 9.788 -9.599 0.743 1.00 20.04 C ATOM 1037 NZ LYS A 62 9.552 -11.058 0.729 1.00 51.53 N ATOM 0 H LYS A 62 10.281 -5.723 4.019 1.00 65.30 H new ATOM 0 HA LYS A 62 12.570 -5.616 2.346 1.00 63.21 H new ATOM 0 HB2 LYS A 62 11.443 -7.713 2.932 1.00 20.13 H new ATOM 0 HB3 LYS A 62 9.985 -7.197 2.108 1.00 20.13 H new ATOM 0 HG2 LYS A 62 11.141 -7.248 -0.076 1.00 40.31 H new ATOM 0 HG3 LYS A 62 12.670 -7.609 0.700 1.00 40.31 H new ATOM 0 HD2 LYS A 62 11.690 -9.652 -0.273 1.00 11.42 H new ATOM 0 HD3 LYS A 62 11.810 -9.796 1.469 1.00 11.42 H new ATOM 0 HE2 LYS A 62 9.366 -9.169 1.652 1.00 20.04 H new ATOM 0 HE3 LYS A 62 9.271 -9.137 -0.098 1.00 20.04 H new ATOM 0 HZ1 LYS A 62 8.668 -11.272 1.234 1.00 51.53 H new ATOM 0 HZ2 LYS A 62 9.477 -11.388 -0.254 1.00 51.53 H new ATOM 0 HZ3 LYS A 62 10.344 -11.542 1.197 1.00 51.53 H new ATOM 1051 N ILE A 63 9.688 -4.617 0.962 1.00 33.44 N ATOM 1052 CA ILE A 63 9.057 -3.804 -0.104 1.00 13.13 C ATOM 1053 C ILE A 63 9.586 -2.344 -0.054 1.00 30.15 C ATOM 1054 O ILE A 63 9.845 -1.728 -1.098 1.00 72.25 O ATOM 1055 CB ILE A 63 7.458 -3.870 -0.003 1.00 64.54 C ATOM 1056 CG1 ILE A 63 6.866 -5.176 -0.673 1.00 23.43 C ATOM 1057 CG2 ILE A 63 6.767 -2.622 -0.605 1.00 63.21 C ATOM 1058 CD1 ILE A 63 7.420 -6.508 -0.191 1.00 55.13 C ATOM 0 H ILE A 63 9.010 -5.041 1.595 1.00 33.44 H new ATOM 0 HA ILE A 63 9.332 -4.220 -1.073 1.00 13.13 H new ATOM 0 HB ILE A 63 7.242 -3.897 1.065 1.00 64.54 H new ATOM 0 HG12 ILE A 63 5.788 -5.180 -0.514 1.00 23.43 H new ATOM 0 HG13 ILE A 63 7.030 -5.110 -1.749 1.00 23.43 H new ATOM 0 HG21 ILE A 63 5.686 -2.723 -0.508 1.00 63.21 H new ATOM 0 HG22 ILE A 63 7.098 -1.730 -0.072 1.00 63.21 H new ATOM 0 HG23 ILE A 63 7.030 -2.533 -1.659 1.00 63.21 H new ATOM 0 HD11 ILE A 63 6.932 -7.321 -0.728 1.00 55.13 H new ATOM 0 HD12 ILE A 63 8.494 -6.544 -0.376 1.00 55.13 H new ATOM 0 HD13 ILE A 63 7.232 -6.615 0.877 1.00 55.13 H new ATOM 1070 N LYS A 64 9.792 -1.838 1.182 1.00 74.01 N ATOM 1071 CA LYS A 64 10.332 -0.487 1.448 1.00 2.15 C ATOM 1072 C LYS A 64 11.745 -0.341 0.841 1.00 64.10 C ATOM 1073 O LYS A 64 12.032 0.646 0.156 1.00 23.03 O ATOM 1074 CB LYS A 64 10.338 -0.230 2.996 1.00 15.13 C ATOM 1075 CG LYS A 64 10.718 1.207 3.472 1.00 13.00 C ATOM 1076 CD LYS A 64 12.248 1.460 3.578 1.00 5.43 C ATOM 1077 CE LYS A 64 12.585 2.884 4.032 1.00 61.03 C ATOM 1078 NZ LYS A 64 12.042 3.914 3.102 1.00 31.41 N ATOM 0 H LYS A 64 9.586 -2.362 2.032 1.00 74.01 H new ATOM 0 HA LYS A 64 9.698 0.263 0.974 1.00 2.15 H new ATOM 0 HB2 LYS A 64 9.346 -0.464 3.383 1.00 15.13 H new ATOM 0 HB3 LYS A 64 11.033 -0.934 3.454 1.00 15.13 H new ATOM 0 HG2 LYS A 64 10.288 1.932 2.781 1.00 13.00 H new ATOM 0 HG3 LYS A 64 10.263 1.387 4.446 1.00 13.00 H new ATOM 0 HD2 LYS A 64 12.681 0.748 4.280 1.00 5.43 H new ATOM 0 HD3 LYS A 64 12.710 1.274 2.609 1.00 5.43 H new ATOM 0 HE2 LYS A 64 12.182 3.050 5.031 1.00 61.03 H new ATOM 0 HE3 LYS A 64 13.667 2.995 4.102 1.00 61.03 H new ATOM 0 HZ1 LYS A 64 12.810 4.545 2.796 1.00 31.41 H new ATOM 0 HZ2 LYS A 64 11.626 3.447 2.271 1.00 31.41 H new ATOM 0 HZ3 LYS A 64 11.310 4.470 3.589 1.00 31.41 H new ATOM 1092 N GLN A 65 12.609 -1.335 1.116 1.00 75.33 N ATOM 1093 CA GLN A 65 14.034 -1.316 0.717 1.00 61.40 C ATOM 1094 C GLN A 65 14.235 -1.650 -0.775 1.00 34.13 C ATOM 1095 O GLN A 65 15.148 -1.115 -1.407 1.00 24.42 O ATOM 1096 CB GLN A 65 14.847 -2.298 1.606 1.00 43.52 C ATOM 1097 CG GLN A 65 14.899 -1.901 3.092 1.00 24.44 C ATOM 1098 CD GLN A 65 15.648 -2.913 3.966 1.00 70.40 C ATOM 1099 OE1 GLN A 65 16.855 -2.794 4.173 1.00 5.55 O ATOM 1100 NE2 GLN A 65 14.944 -3.914 4.471 1.00 42.35 N ATOM 0 H GLN A 65 12.340 -2.178 1.623 1.00 75.33 H new ATOM 0 HA GLN A 65 14.399 -0.300 0.866 1.00 61.40 H new ATOM 0 HB2 GLN A 65 14.412 -3.294 1.522 1.00 43.52 H new ATOM 0 HB3 GLN A 65 15.865 -2.362 1.222 1.00 43.52 H new ATOM 0 HG2 GLN A 65 15.380 -0.927 3.184 1.00 24.44 H new ATOM 0 HG3 GLN A 65 13.881 -1.791 3.467 1.00 24.44 H new ATOM 0 HE21 GLN A 65 13.945 -3.982 4.279 1.00 42.35 H new ATOM 0 HE22 GLN A 65 15.401 -4.617 5.052 1.00 42.35 H new ATOM 1109 N GLU A 66 13.373 -2.520 -1.331 1.00 74.45 N ATOM 1110 CA GLU A 66 13.528 -3.041 -2.715 1.00 32.13 C ATOM 1111 C GLU A 66 12.979 -2.053 -3.755 1.00 62.24 C ATOM 1112 O GLU A 66 13.586 -1.864 -4.816 1.00 63.41 O ATOM 1113 CB GLU A 66 12.853 -4.430 -2.859 1.00 12.11 C ATOM 1114 CG GLU A 66 13.502 -5.559 -2.027 1.00 52.12 C ATOM 1115 CD GLU A 66 15.005 -5.737 -2.311 1.00 54.34 C ATOM 1116 OE1 GLU A 66 15.359 -6.302 -3.367 1.00 34.21 O ATOM 1117 OE2 GLU A 66 15.845 -5.304 -1.482 1.00 50.11 O ATOM 0 H GLU A 66 12.554 -2.884 -0.844 1.00 74.45 H new ATOM 0 HA GLU A 66 14.595 -3.158 -2.906 1.00 32.13 H new ATOM 0 HB2 GLU A 66 11.806 -4.341 -2.569 1.00 12.11 H new ATOM 0 HB3 GLU A 66 12.869 -4.718 -3.910 1.00 12.11 H new ATOM 0 HG2 GLU A 66 13.362 -5.346 -0.967 1.00 52.12 H new ATOM 0 HG3 GLU A 66 12.986 -6.497 -2.235 1.00 52.12 H new ATOM 1124 N ALA A 67 11.827 -1.442 -3.448 1.00 55.12 N ATOM 1125 CA ALA A 67 11.257 -0.360 -4.274 1.00 22.12 C ATOM 1126 C ALA A 67 11.967 0.969 -3.964 1.00 15.01 C ATOM 1127 O ALA A 67 11.983 1.877 -4.805 1.00 14.55 O ATOM 1128 CB ALA A 67 9.744 -0.250 -4.036 1.00 25.23 C ATOM 0 H ALA A 67 11.266 -1.678 -2.629 1.00 55.12 H new ATOM 0 HA ALA A 67 11.415 -0.593 -5.327 1.00 22.12 H new ATOM 0 HB1 ALA A 67 9.336 0.552 -4.651 1.00 25.23 H new ATOM 0 HB2 ALA A 67 9.264 -1.192 -4.303 1.00 25.23 H new ATOM 0 HB3 ALA A 67 9.556 -0.032 -2.985 1.00 25.23 H new ATOM 1134 N ASN A 68 12.546 1.047 -2.737 1.00 1.11 N ATOM 1135 CA ASN A 68 13.313 2.206 -2.229 1.00 72.51 C ATOM 1136 C ASN A 68 12.414 3.461 -2.185 1.00 0.02 C ATOM 1137 O ASN A 68 12.693 4.492 -2.812 1.00 45.11 O ATOM 1138 CB ASN A 68 14.624 2.430 -3.047 1.00 74.44 C ATOM 1139 CG ASN A 68 15.585 3.449 -2.406 1.00 53.33 C ATOM 1140 OD1 ASN A 68 15.668 3.566 -1.180 1.00 5.52 O ATOM 1141 ND2 ASN A 68 16.306 4.195 -3.227 1.00 64.33 N ATOM 0 H ASN A 68 12.489 0.286 -2.061 1.00 1.11 H new ATOM 0 HA ASN A 68 13.631 1.996 -1.208 1.00 72.51 H new ATOM 0 HB2 ASN A 68 15.140 1.476 -3.158 1.00 74.44 H new ATOM 0 HB3 ASN A 68 14.363 2.770 -4.049 1.00 74.44 H new ATOM 0 HD21 ASN A 68 16.952 4.889 -2.851 1.00 64.33 H new ATOM 0 HD22 ASN A 68 16.216 4.076 -4.236 1.00 64.33 H new ATOM 1148 N VAL A 69 11.306 3.338 -1.434 1.00 4.43 N ATOM 1149 CA VAL A 69 10.240 4.369 -1.361 1.00 25.43 C ATOM 1150 C VAL A 69 9.811 4.626 0.093 1.00 1.22 C ATOM 1151 O VAL A 69 10.178 3.871 1.010 1.00 4.12 O ATOM 1152 CB VAL A 69 8.981 3.940 -2.212 1.00 71.22 C ATOM 1153 CG1 VAL A 69 9.320 3.902 -3.721 1.00 2.24 C ATOM 1154 CG2 VAL A 69 8.413 2.578 -1.729 1.00 72.11 C ATOM 0 H VAL A 69 11.118 2.519 -0.856 1.00 4.43 H new ATOM 0 HA VAL A 69 10.653 5.290 -1.773 1.00 25.43 H new ATOM 0 HB VAL A 69 8.205 4.691 -2.063 1.00 71.22 H new ATOM 0 HG11 VAL A 69 8.436 3.604 -4.285 1.00 2.24 H new ATOM 0 HG12 VAL A 69 9.642 4.891 -4.047 1.00 2.24 H new ATOM 0 HG13 VAL A 69 10.121 3.184 -3.896 1.00 2.24 H new ATOM 0 HG21 VAL A 69 7.547 2.310 -2.334 1.00 72.11 H new ATOM 0 HG22 VAL A 69 9.178 1.808 -1.829 1.00 72.11 H new ATOM 0 HG23 VAL A 69 8.114 2.658 -0.684 1.00 72.11 H new ATOM 1164 N GLN A 70 9.016 5.700 0.283 1.00 24.25 N ATOM 1165 CA GLN A 70 8.459 6.062 1.591 1.00 73.23 C ATOM 1166 C GLN A 70 7.193 5.229 1.847 1.00 1.41 C ATOM 1167 O GLN A 70 6.179 5.404 1.170 1.00 2.11 O ATOM 1168 CB GLN A 70 8.123 7.579 1.630 1.00 4.43 C ATOM 1169 CG GLN A 70 9.323 8.502 1.363 1.00 62.33 C ATOM 1170 CD GLN A 70 10.480 8.322 2.361 1.00 50.25 C ATOM 1171 OE1 GLN A 70 10.275 7.997 3.533 1.00 32.44 O ATOM 1172 NE2 GLN A 70 11.704 8.517 1.897 1.00 5.34 N ATOM 0 H GLN A 70 8.746 6.335 -0.468 1.00 24.25 H new ATOM 0 HA GLN A 70 9.193 5.854 2.369 1.00 73.23 H new ATOM 0 HB2 GLN A 70 7.349 7.786 0.891 1.00 4.43 H new ATOM 0 HB3 GLN A 70 7.704 7.821 2.607 1.00 4.43 H new ATOM 0 HG2 GLN A 70 9.694 8.318 0.355 1.00 62.33 H new ATOM 0 HG3 GLN A 70 8.986 9.538 1.395 1.00 62.33 H new ATOM 0 HE21 GLN A 70 11.843 8.785 0.923 1.00 5.34 H new ATOM 0 HE22 GLN A 70 12.508 8.399 2.514 1.00 5.34 H new ATOM 1181 N VAL A 71 7.285 4.330 2.832 1.00 14.43 N ATOM 1182 CA VAL A 71 6.199 3.427 3.229 1.00 51.34 C ATOM 1183 C VAL A 71 5.561 3.906 4.545 1.00 14.44 C ATOM 1184 O VAL A 71 6.252 4.092 5.556 1.00 54.03 O ATOM 1185 CB VAL A 71 6.722 1.941 3.365 1.00 51.01 C ATOM 1186 CG1 VAL A 71 5.712 1.032 4.120 1.00 44.03 C ATOM 1187 CG2 VAL A 71 7.050 1.356 1.960 1.00 34.41 C ATOM 0 H VAL A 71 8.132 4.207 3.386 1.00 14.43 H new ATOM 0 HA VAL A 71 5.437 3.442 2.450 1.00 51.34 H new ATOM 0 HB VAL A 71 7.634 1.966 3.961 1.00 51.01 H new ATOM 0 HG11 VAL A 71 6.114 0.021 4.189 1.00 44.03 H new ATOM 0 HG12 VAL A 71 5.547 1.426 5.123 1.00 44.03 H new ATOM 0 HG13 VAL A 71 4.766 1.010 3.578 1.00 44.03 H new ATOM 0 HG21 VAL A 71 7.409 0.332 2.067 1.00 34.41 H new ATOM 0 HG22 VAL A 71 6.151 1.363 1.344 1.00 34.41 H new ATOM 0 HG23 VAL A 71 7.820 1.963 1.484 1.00 34.41 H new ATOM 1197 N TYR A 72 4.234 4.101 4.491 1.00 4.42 N ATOM 1198 CA TYR A 72 3.407 4.504 5.632 1.00 60.24 C ATOM 1199 C TYR A 72 2.643 3.275 6.142 1.00 1.20 C ATOM 1200 O TYR A 72 1.777 2.735 5.437 1.00 34.11 O ATOM 1201 CB TYR A 72 2.434 5.635 5.207 1.00 64.34 C ATOM 1202 CG TYR A 72 3.163 6.928 4.810 1.00 14.55 C ATOM 1203 CD1 TYR A 72 3.711 7.086 3.534 1.00 4.21 C ATOM 1204 CD2 TYR A 72 3.323 7.968 5.722 1.00 54.51 C ATOM 1205 CE1 TYR A 72 4.389 8.237 3.194 1.00 1.42 C ATOM 1206 CE2 TYR A 72 4.001 9.119 5.386 1.00 52.32 C ATOM 1207 CZ TYR A 72 4.532 9.249 4.123 1.00 71.25 C ATOM 1208 OH TYR A 72 5.215 10.401 3.793 1.00 34.41 O ATOM 0 H TYR A 72 3.697 3.979 3.632 1.00 4.42 H new ATOM 0 HA TYR A 72 4.033 4.891 6.436 1.00 60.24 H new ATOM 0 HB2 TYR A 72 1.829 5.292 4.368 1.00 64.34 H new ATOM 0 HB3 TYR A 72 1.749 5.847 6.028 1.00 64.34 H new ATOM 0 HD1 TYR A 72 3.602 6.296 2.805 1.00 4.21 H new ATOM 0 HD2 TYR A 72 2.907 7.870 6.714 1.00 54.51 H new ATOM 0 HE1 TYR A 72 4.807 8.347 2.204 1.00 1.42 H new ATOM 0 HE2 TYR A 72 4.115 9.914 6.108 1.00 52.32 H new ATOM 0 HH TYR A 72 5.221 11.009 4.561 1.00 34.41 H new ATOM 1218 N ARG A 73 2.998 2.827 7.350 1.00 74.32 N ATOM 1219 CA ARG A 73 2.370 1.671 7.996 1.00 33.15 C ATOM 1220 C ARG A 73 1.005 2.080 8.552 1.00 54.32 C ATOM 1221 O ARG A 73 0.920 2.958 9.421 1.00 25.24 O ATOM 1222 CB ARG A 73 3.255 1.143 9.143 1.00 53.51 C ATOM 1223 CG ARG A 73 2.641 -0.066 9.901 1.00 2.12 C ATOM 1224 CD ARG A 73 3.386 -0.394 11.190 1.00 61.23 C ATOM 1225 NE ARG A 73 3.333 0.727 12.150 1.00 50.30 N ATOM 1226 CZ ARG A 73 4.050 0.808 13.272 1.00 12.12 C ATOM 1227 NH1 ARG A 73 4.886 -0.153 13.610 1.00 52.22 N ATOM 1228 NH2 ARG A 73 3.923 1.857 14.062 1.00 31.34 N ATOM 0 H ARG A 73 3.733 3.259 7.910 1.00 74.32 H new ATOM 0 HA ARG A 73 2.248 0.879 7.257 1.00 33.15 H new ATOM 0 HB2 ARG A 73 4.224 0.852 8.738 1.00 53.51 H new ATOM 0 HB3 ARG A 73 3.436 1.951 9.852 1.00 53.51 H new ATOM 0 HG2 ARG A 73 1.598 0.148 10.134 1.00 2.12 H new ATOM 0 HG3 ARG A 73 2.649 -0.940 9.249 1.00 2.12 H new ATOM 0 HD2 ARG A 73 2.952 -1.284 11.645 1.00 61.23 H new ATOM 0 HD3 ARG A 73 4.426 -0.628 10.960 1.00 61.23 H new ATOM 0 HE ARG A 73 2.700 1.498 11.939 1.00 50.30 H new ATOM 0 HH11 ARG A 73 4.991 -0.972 13.011 1.00 52.22 H new ATOM 0 HH12 ARG A 73 5.428 -0.078 14.471 1.00 52.22 H new ATOM 0 HH21 ARG A 73 3.276 2.606 13.815 1.00 31.34 H new ATOM 0 HH22 ARG A 73 4.471 1.919 14.920 1.00 31.34 H new ATOM 1242 N VAL A 74 -0.052 1.449 8.042 1.00 2.00 N ATOM 1243 CA VAL A 74 -1.432 1.677 8.479 1.00 71.24 C ATOM 1244 C VAL A 74 -2.038 0.357 8.975 1.00 64.12 C ATOM 1245 O VAL A 74 -1.840 -0.680 8.360 1.00 51.22 O ATOM 1246 CB VAL A 74 -2.284 2.285 7.301 1.00 2.55 C ATOM 1247 CG1 VAL A 74 -3.796 2.305 7.622 1.00 14.43 C ATOM 1248 CG2 VAL A 74 -1.781 3.711 6.935 1.00 21.53 C ATOM 0 H VAL A 74 0.026 0.753 7.301 1.00 2.00 H new ATOM 0 HA VAL A 74 -1.439 2.393 9.301 1.00 71.24 H new ATOM 0 HB VAL A 74 -2.147 1.633 6.438 1.00 2.55 H new ATOM 0 HG11 VAL A 74 -4.341 2.733 6.780 1.00 14.43 H new ATOM 0 HG12 VAL A 74 -4.144 1.287 7.800 1.00 14.43 H new ATOM 0 HG13 VAL A 74 -3.971 2.909 8.512 1.00 14.43 H new ATOM 0 HG21 VAL A 74 -2.384 4.111 6.120 1.00 21.53 H new ATOM 0 HG22 VAL A 74 -1.869 4.362 7.805 1.00 21.53 H new ATOM 0 HG23 VAL A 74 -0.738 3.660 6.624 1.00 21.53 H new ATOM 1258 N THR A 75 -2.700 0.394 10.141 1.00 52.32 N ATOM 1259 CA THR A 75 -3.559 -0.716 10.634 1.00 23.45 C ATOM 1260 C THR A 75 -4.890 -0.159 11.196 1.00 62.24 C ATOM 1261 O THR A 75 -5.668 -0.896 11.815 1.00 53.03 O ATOM 1262 CB THR A 75 -2.825 -1.580 11.730 1.00 32.34 C ATOM 1263 OG1 THR A 75 -2.340 -0.726 12.774 1.00 64.40 O ATOM 1264 CG2 THR A 75 -1.650 -2.404 11.160 1.00 13.11 C ATOM 0 H THR A 75 -2.661 1.191 10.776 1.00 52.32 H new ATOM 0 HA THR A 75 -3.773 -1.367 9.786 1.00 23.45 H new ATOM 0 HB THR A 75 -3.559 -2.286 12.119 1.00 32.34 H new ATOM 0 HG1 THR A 75 -1.886 -1.266 13.454 1.00 64.40 H new ATOM 0 HG21 THR A 75 -1.185 -2.977 11.962 1.00 13.11 H new ATOM 0 HG22 THR A 75 -2.021 -3.086 10.395 1.00 13.11 H new ATOM 0 HG23 THR A 75 -0.913 -1.731 10.720 1.00 13.11 H new ATOM 1272 N SER A 76 -5.150 1.140 10.952 1.00 12.15 N ATOM 1273 CA SER A 76 -6.354 1.845 11.427 1.00 34.21 C ATOM 1274 C SER A 76 -6.796 2.867 10.374 1.00 64.42 C ATOM 1275 O SER A 76 -5.955 3.415 9.643 1.00 24.23 O ATOM 1276 CB SER A 76 -6.060 2.538 12.774 1.00 44.43 C ATOM 1277 OG SER A 76 -5.004 3.472 12.654 1.00 2.30 O ATOM 0 H SER A 76 -4.521 1.736 10.413 1.00 12.15 H new ATOM 0 HA SER A 76 -7.161 1.129 11.580 1.00 34.21 H new ATOM 0 HB2 SER A 76 -6.958 3.045 13.128 1.00 44.43 H new ATOM 0 HB3 SER A 76 -5.802 1.788 13.522 1.00 44.43 H new ATOM 0 HG SER A 76 -4.842 3.896 13.523 1.00 2.30 H new ATOM 1283 N ASN A 77 -8.116 3.136 10.315 1.00 52.43 N ATOM 1284 CA ASN A 77 -8.708 4.054 9.316 1.00 41.33 C ATOM 1285 C ASN A 77 -8.193 5.491 9.523 1.00 14.14 C ATOM 1286 O ASN A 77 -8.074 6.236 8.564 1.00 63.32 O ATOM 1287 CB ASN A 77 -10.265 4.026 9.350 1.00 40.25 C ATOM 1288 CG ASN A 77 -10.894 4.726 10.566 1.00 52.23 C ATOM 1289 OD1 ASN A 77 -11.218 5.911 10.518 1.00 41.13 O ATOM 1290 ND2 ASN A 77 -11.050 4.011 11.661 1.00 14.54 N ATOM 0 H ASN A 77 -8.799 2.727 10.953 1.00 52.43 H new ATOM 0 HA ASN A 77 -8.394 3.705 8.332 1.00 41.33 H new ATOM 0 HB2 ASN A 77 -10.643 4.496 8.442 1.00 40.25 H new ATOM 0 HB3 ASN A 77 -10.597 2.988 9.334 1.00 40.25 H new ATOM 0 HD21 ASN A 77 -11.448 4.439 12.497 1.00 14.54 H new ATOM 0 HD22 ASN A 77 -10.773 3.030 11.673 1.00 14.54 H new ATOM 1297 N ASP A 78 -7.872 5.845 10.788 1.00 64.21 N ATOM 1298 CA ASP A 78 -7.364 7.187 11.180 1.00 31.33 C ATOM 1299 C ASP A 78 -6.103 7.551 10.381 1.00 22.21 C ATOM 1300 O ASP A 78 -6.010 8.628 9.783 1.00 0.22 O ATOM 1301 CB ASP A 78 -7.030 7.216 12.699 1.00 64.51 C ATOM 1302 CG ASP A 78 -8.228 6.848 13.586 1.00 31.12 C ATOM 1303 OD1 ASP A 78 -8.597 5.650 13.629 1.00 34.52 O ATOM 1304 OD2 ASP A 78 -8.809 7.744 14.236 1.00 70.41 O ATOM 0 H ASP A 78 -7.958 5.203 11.576 1.00 64.21 H new ATOM 0 HA ASP A 78 -8.145 7.915 10.963 1.00 31.33 H new ATOM 0 HB2 ASP A 78 -6.212 6.524 12.898 1.00 64.51 H new ATOM 0 HB3 ASP A 78 -6.678 8.212 12.969 1.00 64.51 H new ATOM 1309 N GLU A 79 -5.157 6.597 10.380 1.00 1.32 N ATOM 1310 CA GLU A 79 -3.859 6.694 9.685 1.00 40.12 C ATOM 1311 C GLU A 79 -4.069 6.754 8.167 1.00 21.21 C ATOM 1312 O GLU A 79 -3.480 7.602 7.481 1.00 0.03 O ATOM 1313 CB GLU A 79 -2.991 5.464 10.074 1.00 42.23 C ATOM 1314 CG GLU A 79 -2.639 5.383 11.579 1.00 74.24 C ATOM 1315 CD GLU A 79 -1.456 6.283 11.986 1.00 71.04 C ATOM 1316 OE1 GLU A 79 -1.676 7.457 12.348 1.00 53.34 O ATOM 1317 OE2 GLU A 79 -0.293 5.813 11.932 1.00 23.14 O ATOM 0 H GLU A 79 -5.275 5.713 10.875 1.00 1.32 H new ATOM 0 HA GLU A 79 -3.347 7.608 9.985 1.00 40.12 H new ATOM 0 HB2 GLU A 79 -3.520 4.555 9.787 1.00 42.23 H new ATOM 0 HB3 GLU A 79 -2.066 5.490 9.497 1.00 42.23 H new ATOM 0 HG2 GLU A 79 -3.515 5.663 12.164 1.00 74.24 H new ATOM 0 HG3 GLU A 79 -2.403 4.350 11.833 1.00 74.24 H new ATOM 1324 N LEU A 80 -4.954 5.860 7.685 1.00 42.50 N ATOM 1325 CA LEU A 80 -5.256 5.687 6.259 1.00 21.31 C ATOM 1326 C LEU A 80 -5.771 7.006 5.659 1.00 61.22 C ATOM 1327 O LEU A 80 -5.159 7.537 4.728 1.00 72.51 O ATOM 1328 CB LEU A 80 -6.288 4.517 6.092 1.00 20.21 C ATOM 1329 CG LEU A 80 -6.662 4.041 4.640 1.00 21.31 C ATOM 1330 CD1 LEU A 80 -7.809 4.853 4.026 1.00 54.15 C ATOM 1331 CD2 LEU A 80 -5.429 4.047 3.713 1.00 72.54 C ATOM 0 H LEU A 80 -5.484 5.231 8.288 1.00 42.50 H new ATOM 0 HA LEU A 80 -4.351 5.423 5.713 1.00 21.31 H new ATOM 0 HB2 LEU A 80 -5.900 3.654 6.633 1.00 20.21 H new ATOM 0 HB3 LEU A 80 -7.210 4.816 6.590 1.00 20.21 H new ATOM 0 HG LEU A 80 -7.017 3.015 4.736 1.00 21.31 H new ATOM 0 HD11 LEU A 80 -8.023 4.480 3.024 1.00 54.15 H new ATOM 0 HD12 LEU A 80 -8.699 4.754 4.648 1.00 54.15 H new ATOM 0 HD13 LEU A 80 -7.521 5.903 3.968 1.00 54.15 H new ATOM 0 HD21 LEU A 80 -5.721 3.713 2.717 1.00 72.54 H new ATOM 0 HD22 LEU A 80 -5.024 5.057 3.653 1.00 72.54 H new ATOM 0 HD23 LEU A 80 -4.670 3.375 4.113 1.00 72.54 H new ATOM 1343 N GLU A 81 -6.866 7.532 6.243 1.00 61.41 N ATOM 1344 CA GLU A 81 -7.555 8.740 5.756 1.00 70.20 C ATOM 1345 C GLU A 81 -6.592 9.923 5.653 1.00 33.04 C ATOM 1346 O GLU A 81 -6.566 10.609 4.636 1.00 24.23 O ATOM 1347 CB GLU A 81 -8.738 9.125 6.678 1.00 44.02 C ATOM 1348 CG GLU A 81 -9.850 8.065 6.780 1.00 4.22 C ATOM 1349 CD GLU A 81 -11.025 8.515 7.662 1.00 22.43 C ATOM 1350 OE1 GLU A 81 -10.801 8.833 8.849 1.00 4.50 O ATOM 1351 OE2 GLU A 81 -12.171 8.582 7.166 1.00 54.24 O ATOM 0 H GLU A 81 -7.299 7.126 7.072 1.00 61.41 H new ATOM 0 HA GLU A 81 -7.940 8.506 4.764 1.00 70.20 H new ATOM 0 HB2 GLU A 81 -8.351 9.323 7.678 1.00 44.02 H new ATOM 0 HB3 GLU A 81 -9.175 10.055 6.315 1.00 44.02 H new ATOM 0 HG2 GLU A 81 -10.219 7.836 5.780 1.00 4.22 H new ATOM 0 HG3 GLU A 81 -9.431 7.144 7.184 1.00 4.22 H new ATOM 1358 N GLN A 82 -5.783 10.110 6.718 1.00 61.50 N ATOM 1359 CA GLN A 82 -4.858 11.249 6.851 1.00 42.13 C ATOM 1360 C GLN A 82 -3.812 11.270 5.724 1.00 10.41 C ATOM 1361 O GLN A 82 -3.656 12.300 5.064 1.00 74.32 O ATOM 1362 CB GLN A 82 -4.185 11.253 8.252 1.00 43.11 C ATOM 1363 CG GLN A 82 -5.118 11.734 9.391 1.00 62.31 C ATOM 1364 CD GLN A 82 -5.565 13.198 9.249 1.00 51.53 C ATOM 1365 OE1 GLN A 82 -6.683 13.557 9.617 1.00 63.31 O ATOM 1366 NE2 GLN A 82 -4.690 14.068 8.752 1.00 5.54 N ATOM 0 H GLN A 82 -5.755 9.470 7.512 1.00 61.50 H new ATOM 0 HA GLN A 82 -5.444 12.163 6.757 1.00 42.13 H new ATOM 0 HB2 GLN A 82 -3.837 10.246 8.481 1.00 43.11 H new ATOM 0 HB3 GLN A 82 -3.305 11.895 8.220 1.00 43.11 H new ATOM 0 HG2 GLN A 82 -6.001 11.095 9.419 1.00 62.31 H new ATOM 0 HG3 GLN A 82 -4.605 11.611 10.345 1.00 62.31 H new ATOM 0 HE21 GLN A 82 -3.768 13.750 8.453 1.00 5.54 H new ATOM 0 HE22 GLN A 82 -4.941 15.053 8.670 1.00 5.54 H new ATOM 1375 N VAL A 83 -3.134 10.120 5.488 1.00 35.55 N ATOM 1376 CA VAL A 83 -2.111 10.004 4.413 1.00 72.20 C ATOM 1377 C VAL A 83 -2.736 10.295 3.021 1.00 11.44 C ATOM 1378 O VAL A 83 -2.123 10.972 2.182 1.00 2.51 O ATOM 1379 CB VAL A 83 -1.398 8.589 4.400 1.00 3.10 C ATOM 1380 CG1 VAL A 83 -0.265 8.536 3.335 1.00 74.43 C ATOM 1381 CG2 VAL A 83 -0.838 8.229 5.803 1.00 62.25 C ATOM 0 H VAL A 83 -3.274 9.263 6.023 1.00 35.55 H new ATOM 0 HA VAL A 83 -1.349 10.752 4.630 1.00 72.20 H new ATOM 0 HB VAL A 83 -2.152 7.849 4.132 1.00 3.10 H new ATOM 0 HG11 VAL A 83 0.204 7.552 3.352 1.00 74.43 H new ATOM 0 HG12 VAL A 83 -0.686 8.721 2.347 1.00 74.43 H new ATOM 0 HG13 VAL A 83 0.482 9.298 3.560 1.00 74.43 H new ATOM 0 HG21 VAL A 83 -0.355 7.253 5.762 1.00 62.25 H new ATOM 0 HG22 VAL A 83 -0.111 8.981 6.109 1.00 62.25 H new ATOM 0 HG23 VAL A 83 -1.655 8.200 6.524 1.00 62.25 H new ATOM 1391 N VAL A 84 -3.980 9.813 2.820 1.00 41.30 N ATOM 1392 CA VAL A 84 -4.722 9.953 1.545 1.00 22.01 C ATOM 1393 C VAL A 84 -5.210 11.415 1.312 1.00 40.22 C ATOM 1394 O VAL A 84 -5.276 11.886 0.162 1.00 33.23 O ATOM 1395 CB VAL A 84 -5.933 8.939 1.471 1.00 1.44 C ATOM 1396 CG1 VAL A 84 -6.699 9.094 0.144 1.00 32.25 C ATOM 1397 CG2 VAL A 84 -5.465 7.466 1.644 1.00 64.21 C ATOM 0 H VAL A 84 -4.502 9.313 3.539 1.00 41.30 H new ATOM 0 HA VAL A 84 -4.024 9.709 0.744 1.00 22.01 H new ATOM 0 HB VAL A 84 -6.602 9.180 2.297 1.00 1.44 H new ATOM 0 HG11 VAL A 84 -7.527 8.386 0.117 1.00 32.25 H new ATOM 0 HG12 VAL A 84 -7.087 10.109 0.064 1.00 32.25 H new ATOM 0 HG13 VAL A 84 -6.026 8.897 -0.690 1.00 32.25 H new ATOM 0 HG21 VAL A 84 -6.327 6.801 1.587 1.00 64.21 H new ATOM 0 HG22 VAL A 84 -4.759 7.213 0.853 1.00 64.21 H new ATOM 0 HG23 VAL A 84 -4.981 7.350 2.614 1.00 64.21 H new ATOM 1407 N LYS A 85 -5.543 12.127 2.398 1.00 61.20 N ATOM 1408 CA LYS A 85 -6.000 13.535 2.325 1.00 3.42 C ATOM 1409 C LYS A 85 -4.805 14.480 2.101 1.00 33.20 C ATOM 1410 O LYS A 85 -4.896 15.432 1.306 1.00 51.12 O ATOM 1411 CB LYS A 85 -6.779 13.926 3.611 1.00 45.22 C ATOM 1412 CG LYS A 85 -8.140 13.205 3.778 1.00 23.32 C ATOM 1413 CD LYS A 85 -8.883 13.584 5.086 1.00 10.52 C ATOM 1414 CE LYS A 85 -8.102 13.213 6.361 1.00 20.12 C ATOM 1415 NZ LYS A 85 -8.862 13.528 7.597 1.00 21.23 N ATOM 0 H LYS A 85 -5.506 11.754 3.347 1.00 61.20 H new ATOM 0 HA LYS A 85 -6.677 13.633 1.476 1.00 3.42 H new ATOM 0 HB2 LYS A 85 -6.157 13.707 4.479 1.00 45.22 H new ATOM 0 HB3 LYS A 85 -6.950 15.002 3.605 1.00 45.22 H new ATOM 0 HG2 LYS A 85 -8.776 13.444 2.926 1.00 23.32 H new ATOM 0 HG3 LYS A 85 -7.976 12.128 3.761 1.00 23.32 H new ATOM 0 HD2 LYS A 85 -9.078 14.656 5.087 1.00 10.52 H new ATOM 0 HD3 LYS A 85 -9.851 13.084 5.103 1.00 10.52 H new ATOM 0 HE2 LYS A 85 -7.866 12.149 6.343 1.00 20.12 H new ATOM 0 HE3 LYS A 85 -7.154 13.750 6.373 1.00 20.12 H new ATOM 0 HZ1 LYS A 85 -8.208 13.572 8.405 1.00 21.23 H new ATOM 0 HZ2 LYS A 85 -9.339 14.446 7.487 1.00 21.23 H new ATOM 0 HZ3 LYS A 85 -9.572 12.787 7.766 1.00 21.23 H new ATOM 1429 N ASP A 86 -3.680 14.186 2.789 1.00 65.44 N ATOM 1430 CA ASP A 86 -2.464 15.023 2.757 1.00 1.11 C ATOM 1431 C ASP A 86 -1.711 14.887 1.427 1.00 43.41 C ATOM 1432 O ASP A 86 -1.087 15.856 0.980 1.00 13.33 O ATOM 1433 CB ASP A 86 -1.500 14.674 3.927 1.00 75.43 C ATOM 1434 CG ASP A 86 -2.031 15.057 5.323 1.00 65.51 C ATOM 1435 OD1 ASP A 86 -2.613 16.151 5.470 1.00 22.43 O ATOM 1436 OD2 ASP A 86 -1.829 14.292 6.293 1.00 32.14 O ATOM 0 H ASP A 86 -3.591 13.361 3.382 1.00 65.44 H new ATOM 0 HA ASP A 86 -2.800 16.054 2.866 1.00 1.11 H new ATOM 0 HB2 ASP A 86 -1.299 13.603 3.909 1.00 75.43 H new ATOM 0 HB3 ASP A 86 -0.549 15.180 3.762 1.00 75.43 H new ATOM 1441 N VAL A 87 -1.760 13.676 0.804 1.00 0.11 N ATOM 1442 CA VAL A 87 -1.005 13.379 -0.440 1.00 54.52 C ATOM 1443 C VAL A 87 -1.500 14.254 -1.620 1.00 73.12 C ATOM 1444 O VAL A 87 -0.702 14.661 -2.471 1.00 63.21 O ATOM 1445 CB VAL A 87 -1.054 11.839 -0.829 1.00 45.22 C ATOM 1446 CG1 VAL A 87 -2.475 11.378 -1.241 1.00 5.31 C ATOM 1447 CG2 VAL A 87 -0.014 11.489 -1.929 1.00 72.44 C ATOM 0 H VAL A 87 -2.316 12.892 1.146 1.00 0.11 H new ATOM 0 HA VAL A 87 0.037 13.627 -0.236 1.00 54.52 H new ATOM 0 HB VAL A 87 -0.786 11.287 0.072 1.00 45.22 H new ATOM 0 HG11 VAL A 87 -2.454 10.319 -1.497 1.00 5.31 H new ATOM 0 HG12 VAL A 87 -3.164 11.537 -0.411 1.00 5.31 H new ATOM 0 HG13 VAL A 87 -2.808 11.953 -2.105 1.00 5.31 H new ATOM 0 HG21 VAL A 87 -0.079 10.427 -2.167 1.00 72.44 H new ATOM 0 HG22 VAL A 87 -0.221 12.075 -2.825 1.00 72.44 H new ATOM 0 HG23 VAL A 87 0.989 11.719 -1.568 1.00 72.44 H new