USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 655 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 3 GLN : amide:sc= -1.34! C(o=-1.3!,f=-1.7!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -173:sc= 1.24 (180deg=1.06) USER MOD Single : A 12 ASN : amide:sc= -0.054 K(o=-0.054,f=-1.4!) USER MOD Single : A 13 GLN : amide:sc= -0.0605 X(o=-0.06,f=0) USER MOD Single : A 18 ASN : amide:sc= -0.0854 K(o=-0.085,f=-2.1!) USER MOD Single : A 21 GLN : amide:sc= 0.217 X(o=0.22,f=-0.15) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -150:sc= 1.14 (180deg=0.495) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 MET CE :methyl -165:sc= -0.665 (180deg=-1.25) USER MOD Single : A 43 ASN : amide:sc= 0.959 K(o=0.96,f=-6.8!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 168:sc=-0.00841 (180deg=-0.149) USER MOD Single : A 52 GLN : amide:sc= -0.322 X(o=-0.32,f=-0.18) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= 1.24 K(o=1.2,f=-0.13) USER MOD Single : A 57 ASN : amide:sc= -0.75 X(o=-0.75,f=-0.9) USER MOD Single : A 58 TYR OH : rot 15:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 SER OG : rot 67:sc= 0.699 USER MOD Single : A 65 ASN : amide:sc= 1.65 K(o=1.6,f=-7.6!) USER MOD Single : A 68 SER OG : rot 180:sc= 0.0188 USER MOD Single : A 72 GLN : amide:sc= -0.0191 X(o=-0.019,f=-0.019) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl -118:sc= -0.0689 (180deg=-0.665) USER MOD Single : A 78 MET CE :methyl -145:sc= 0 (180deg=-1.57!) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 32 N GLN A 3 -3.455 10.975 10.776 1.00 32.33 N ATOM 33 CA GLN A 3 -3.485 11.736 9.532 1.00 42.24 C ATOM 34 C GLN A 3 -3.717 10.799 8.353 1.00 31.51 C ATOM 35 O GLN A 3 -4.065 11.226 7.251 1.00 1.42 O ATOM 36 CB GLN A 3 -2.189 12.511 9.335 1.00 74.44 C ATOM 37 CG GLN A 3 -0.957 11.638 9.183 1.00 72.15 C ATOM 38 CD GLN A 3 0.219 12.403 8.621 1.00 44.44 C ATOM 39 OE1 GLN A 3 0.051 13.329 7.830 1.00 24.32 O ATOM 40 NE2 GLN A 3 1.413 12.028 9.037 1.00 73.31 N ATOM 0 HA GLN A 3 -4.305 12.452 9.589 1.00 42.24 H new ATOM 0 HB2 GLN A 3 -2.286 13.140 8.450 1.00 74.44 H new ATOM 0 HB3 GLN A 3 -2.045 13.178 10.185 1.00 74.44 H new ATOM 0 HG2 GLN A 3 -0.687 11.221 10.153 1.00 72.15 H new ATOM 0 HG3 GLN A 3 -1.188 10.798 8.528 1.00 72.15 H new ATOM 0 HE21 GLN A 3 1.504 11.253 9.694 1.00 73.31 H new ATOM 0 HE22 GLN A 3 2.245 12.513 8.701 1.00 73.31 H new ATOM 49 N LEU A 4 -3.505 9.518 8.610 1.00 35.55 N ATOM 50 CA LEU A 4 -3.793 8.462 7.655 1.00 20.54 C ATOM 51 C LEU A 4 -5.254 8.514 7.218 1.00 42.54 C ATOM 52 O LEU A 4 -5.590 8.109 6.107 1.00 44.15 O ATOM 53 CB LEU A 4 -3.480 7.114 8.294 1.00 52.24 C ATOM 54 CG LEU A 4 -2.049 6.979 8.814 1.00 3.22 C ATOM 55 CD1 LEU A 4 -1.997 6.006 9.974 1.00 52.43 C ATOM 56 CD2 LEU A 4 -1.121 6.529 7.697 1.00 20.00 C ATOM 0 H LEU A 4 -3.125 9.180 9.494 1.00 35.55 H new ATOM 0 HA LEU A 4 -3.172 8.600 6.770 1.00 20.54 H new ATOM 0 HB2 LEU A 4 -4.171 6.948 9.120 1.00 52.24 H new ATOM 0 HB3 LEU A 4 -3.663 6.327 7.562 1.00 52.24 H new ATOM 0 HG LEU A 4 -1.715 7.954 9.169 1.00 3.22 H new ATOM 0 HD11 LEU A 4 -0.971 5.921 10.332 1.00 52.43 H new ATOM 0 HD12 LEU A 4 -2.635 6.367 10.781 1.00 52.43 H new ATOM 0 HD13 LEU A 4 -2.348 5.028 9.645 1.00 52.43 H new ATOM 0 HD21 LEU A 4 -0.106 6.437 8.082 1.00 20.00 H new ATOM 0 HD22 LEU A 4 -1.453 5.563 7.315 1.00 20.00 H new ATOM 0 HD23 LEU A 4 -1.138 7.263 6.892 1.00 20.00 H new ATOM 68 N LYS A 5 -6.111 9.025 8.100 1.00 51.11 N ATOM 69 CA LYS A 5 -7.522 9.220 7.787 1.00 21.43 C ATOM 70 C LYS A 5 -7.661 10.127 6.568 1.00 50.03 C ATOM 71 O LYS A 5 -8.392 9.817 5.629 1.00 62.43 O ATOM 72 CB LYS A 5 -8.242 9.831 8.996 1.00 54.51 C ATOM 73 CG LYS A 5 -9.717 10.119 8.773 1.00 51.15 C ATOM 74 CD LYS A 5 -10.355 10.673 10.034 1.00 14.45 C ATOM 75 CE LYS A 5 -11.820 11.011 9.825 1.00 31.13 C ATOM 76 NZ LYS A 5 -12.446 11.548 11.061 1.00 22.43 N ATOM 0 H LYS A 5 -5.849 9.313 9.043 1.00 51.11 H new ATOM 0 HA LYS A 5 -7.978 8.257 7.559 1.00 21.43 H new ATOM 0 HB2 LYS A 5 -8.142 9.153 9.843 1.00 54.51 H new ATOM 0 HB3 LYS A 5 -7.741 10.760 9.270 1.00 54.51 H new ATOM 0 HG2 LYS A 5 -9.833 10.833 7.957 1.00 51.15 H new ATOM 0 HG3 LYS A 5 -10.229 9.205 8.472 1.00 51.15 H new ATOM 0 HD2 LYS A 5 -10.262 9.944 10.839 1.00 14.45 H new ATOM 0 HD3 LYS A 5 -9.818 11.567 10.350 1.00 14.45 H new ATOM 0 HE2 LYS A 5 -11.913 11.744 9.023 1.00 31.13 H new ATOM 0 HE3 LYS A 5 -12.357 10.118 9.505 1.00 31.13 H new ATOM 0 HZ1 LYS A 5 -13.446 11.766 10.877 1.00 22.43 H new ATOM 0 HZ2 LYS A 5 -12.380 10.839 11.819 1.00 22.43 H new ATOM 0 HZ3 LYS A 5 -11.950 12.414 11.353 1.00 22.43 H new ATOM 90 N THR A 6 -6.928 11.235 6.591 1.00 75.32 N ATOM 91 CA THR A 6 -6.887 12.165 5.471 1.00 1.41 C ATOM 92 C THR A 6 -6.339 11.480 4.219 1.00 31.20 C ATOM 93 O THR A 6 -6.869 11.652 3.122 1.00 53.21 O ATOM 94 CB THR A 6 -6.016 13.391 5.817 1.00 63.32 C ATOM 95 OG1 THR A 6 -6.625 14.139 6.878 1.00 61.43 O ATOM 96 CG2 THR A 6 -5.804 14.290 4.605 1.00 65.22 C ATOM 0 H THR A 6 -6.348 11.512 7.383 1.00 75.32 H new ATOM 0 HA THR A 6 -7.906 12.498 5.273 1.00 1.41 H new ATOM 0 HB THR A 6 -5.040 13.027 6.138 1.00 63.32 H new ATOM 0 HG1 THR A 6 -6.066 14.915 7.094 1.00 61.43 H new ATOM 0 HG21 THR A 6 -5.186 15.142 4.888 1.00 65.22 H new ATOM 0 HG22 THR A 6 -5.305 13.726 3.817 1.00 65.22 H new ATOM 0 HG23 THR A 6 -6.769 14.645 4.242 1.00 65.22 H new ATOM 104 N ILE A 7 -5.288 10.691 4.402 1.00 45.11 N ATOM 105 CA ILE A 7 -4.669 9.957 3.302 1.00 24.52 C ATOM 106 C ILE A 7 -5.678 9.019 2.645 1.00 60.15 C ATOM 107 O ILE A 7 -5.790 8.972 1.421 1.00 31.34 O ATOM 108 CB ILE A 7 -3.443 9.159 3.799 1.00 74.52 C ATOM 109 CG1 ILE A 7 -2.415 10.136 4.383 1.00 54.30 C ATOM 110 CG2 ILE A 7 -2.832 8.328 2.671 1.00 22.24 C ATOM 111 CD1 ILE A 7 -1.288 9.465 5.127 1.00 61.02 C ATOM 0 H ILE A 7 -4.843 10.541 5.307 1.00 45.11 H new ATOM 0 HA ILE A 7 -4.333 10.681 2.559 1.00 24.52 H new ATOM 0 HB ILE A 7 -3.759 8.462 4.575 1.00 74.52 H new ATOM 0 HG12 ILE A 7 -1.997 10.735 3.574 1.00 54.30 H new ATOM 0 HG13 ILE A 7 -2.924 10.823 5.058 1.00 54.30 H new ATOM 0 HG21 ILE A 7 -1.971 7.777 3.050 1.00 22.24 H new ATOM 0 HG22 ILE A 7 -3.575 7.625 2.293 1.00 22.24 H new ATOM 0 HG23 ILE A 7 -2.514 8.988 1.864 1.00 22.24 H new ATOM 0 HD11 ILE A 7 -0.603 10.222 5.510 1.00 61.02 H new ATOM 0 HD12 ILE A 7 -1.693 8.889 5.959 1.00 61.02 H new ATOM 0 HD13 ILE A 7 -0.752 8.799 4.451 1.00 61.02 H new ATOM 123 N LYS A 8 -6.428 8.296 3.468 1.00 43.23 N ATOM 124 CA LYS A 8 -7.467 7.396 2.979 1.00 74.23 C ATOM 125 C LYS A 8 -8.554 8.172 2.241 1.00 40.22 C ATOM 126 O LYS A 8 -9.086 7.704 1.232 1.00 34.14 O ATOM 127 CB LYS A 8 -8.062 6.600 4.142 1.00 44.34 C ATOM 128 CG LYS A 8 -7.058 5.659 4.785 1.00 3.11 C ATOM 129 CD LYS A 8 -7.567 5.077 6.095 1.00 24.41 C ATOM 130 CE LYS A 8 -6.543 4.130 6.698 1.00 22.13 C ATOM 131 NZ LYS A 8 -6.943 3.656 8.046 1.00 52.32 N ATOM 0 H LYS A 8 -6.335 8.316 4.484 1.00 43.23 H new ATOM 0 HA LYS A 8 -7.018 6.698 2.273 1.00 74.23 H new ATOM 0 HB2 LYS A 8 -8.439 7.292 4.895 1.00 44.34 H new ATOM 0 HB3 LYS A 8 -8.915 6.024 3.783 1.00 44.34 H new ATOM 0 HG2 LYS A 8 -6.830 4.847 4.094 1.00 3.11 H new ATOM 0 HG3 LYS A 8 -6.126 6.195 4.966 1.00 3.11 H new ATOM 0 HD2 LYS A 8 -7.782 5.883 6.797 1.00 24.41 H new ATOM 0 HD3 LYS A 8 -8.503 4.546 5.923 1.00 24.41 H new ATOM 0 HE2 LYS A 8 -6.411 3.273 6.038 1.00 22.13 H new ATOM 0 HE3 LYS A 8 -5.579 4.634 6.763 1.00 22.13 H new ATOM 0 HZ1 LYS A 8 -6.165 3.110 8.467 1.00 52.32 H new ATOM 0 HZ2 LYS A 8 -7.160 4.473 8.651 1.00 52.32 H new ATOM 0 HZ3 LYS A 8 -7.786 3.052 7.966 1.00 52.32 H new ATOM 145 N GLU A 9 -8.868 9.367 2.738 1.00 61.55 N ATOM 146 CA GLU A 9 -9.818 10.246 2.064 1.00 61.12 C ATOM 147 C GLU A 9 -9.296 10.605 0.679 1.00 11.15 C ATOM 148 O GLU A 9 -10.031 10.547 -0.305 1.00 31.22 O ATOM 149 CB GLU A 9 -10.056 11.526 2.877 1.00 10.54 C ATOM 150 CG GLU A 9 -10.716 11.290 4.226 1.00 52.14 C ATOM 151 CD GLU A 9 -12.124 10.746 4.103 1.00 1.55 C ATOM 152 OE1 GLU A 9 -12.280 9.534 3.830 1.00 63.14 O ATOM 153 OE2 GLU A 9 -13.083 11.521 4.294 1.00 60.21 O ATOM 0 H GLU A 9 -8.480 9.746 3.601 1.00 61.55 H new ATOM 0 HA GLU A 9 -10.767 9.717 1.971 1.00 61.12 H new ATOM 0 HB2 GLU A 9 -9.101 12.027 3.034 1.00 10.54 H new ATOM 0 HB3 GLU A 9 -10.679 12.204 2.293 1.00 10.54 H new ATOM 0 HG2 GLU A 9 -10.111 10.592 4.804 1.00 52.14 H new ATOM 0 HG3 GLU A 9 -10.741 12.227 4.782 1.00 52.14 H new ATOM 160 N LEU A 10 -8.018 10.957 0.618 1.00 14.42 N ATOM 161 CA LEU A 10 -7.363 11.313 -0.637 1.00 4.32 C ATOM 162 C LEU A 10 -7.409 10.150 -1.625 1.00 53.44 C ATOM 163 O LEU A 10 -7.774 10.326 -2.787 1.00 10.11 O ATOM 164 CB LEU A 10 -5.906 11.708 -0.372 1.00 12.43 C ATOM 165 CG LEU A 10 -5.711 12.900 0.568 1.00 43.25 C ATOM 166 CD1 LEU A 10 -4.232 13.134 0.833 1.00 23.20 C ATOM 167 CD2 LEU A 10 -6.353 14.148 -0.012 1.00 43.25 C ATOM 0 H LEU A 10 -7.407 11.004 1.433 1.00 14.42 H new ATOM 0 HA LEU A 10 -7.896 12.158 -1.073 1.00 4.32 H new ATOM 0 HB2 LEU A 10 -5.384 10.847 0.047 1.00 12.43 H new ATOM 0 HB3 LEU A 10 -5.430 11.937 -1.325 1.00 12.43 H new ATOM 0 HG LEU A 10 -6.198 12.673 1.516 1.00 43.25 H new ATOM 0 HD11 LEU A 10 -4.113 13.985 1.503 1.00 23.20 H new ATOM 0 HD12 LEU A 10 -3.800 12.246 1.294 1.00 23.20 H new ATOM 0 HD13 LEU A 10 -3.722 13.339 -0.108 1.00 23.20 H new ATOM 0 HD21 LEU A 10 -6.204 14.985 0.671 1.00 43.25 H new ATOM 0 HD22 LEU A 10 -5.896 14.379 -0.974 1.00 43.25 H new ATOM 0 HD23 LEU A 10 -7.421 13.978 -0.149 1.00 43.25 H new ATOM 179 N ILE A 11 -7.055 8.967 -1.142 1.00 42.23 N ATOM 180 CA ILE A 11 -7.014 7.763 -1.969 1.00 71.42 C ATOM 181 C ILE A 11 -8.360 7.498 -2.642 1.00 35.51 C ATOM 182 O ILE A 11 -8.418 7.209 -3.836 1.00 52.24 O ATOM 183 CB ILE A 11 -6.590 6.533 -1.132 1.00 24.43 C ATOM 184 CG1 ILE A 11 -5.167 6.732 -0.602 1.00 5.03 C ATOM 185 CG2 ILE A 11 -6.672 5.256 -1.960 1.00 75.13 C ATOM 186 CD1 ILE A 11 -4.704 5.658 0.355 1.00 75.13 C ATOM 0 H ILE A 11 -6.789 8.812 -0.170 1.00 42.23 H new ATOM 0 HA ILE A 11 -6.271 7.932 -2.749 1.00 71.42 H new ATOM 0 HB ILE A 11 -7.275 6.434 -0.290 1.00 24.43 H new ATOM 0 HG12 ILE A 11 -4.479 6.771 -1.447 1.00 5.03 H new ATOM 0 HG13 ILE A 11 -5.110 7.698 -0.101 1.00 5.03 H new ATOM 0 HG21 ILE A 11 -6.369 4.406 -1.349 1.00 75.13 H new ATOM 0 HG22 ILE A 11 -7.696 5.110 -2.303 1.00 75.13 H new ATOM 0 HG23 ILE A 11 -6.009 5.338 -2.822 1.00 75.13 H new ATOM 0 HD11 ILE A 11 -3.687 5.876 0.682 1.00 75.13 H new ATOM 0 HD12 ILE A 11 -5.366 5.632 1.221 1.00 75.13 H new ATOM 0 HD13 ILE A 11 -4.725 4.690 -0.146 1.00 75.13 H new ATOM 198 N ASN A 12 -9.442 7.626 -1.886 1.00 51.21 N ATOM 199 CA ASN A 12 -10.772 7.360 -2.424 1.00 14.41 C ATOM 200 C ASN A 12 -11.226 8.460 -3.376 1.00 13.11 C ATOM 201 O ASN A 12 -11.969 8.200 -4.321 1.00 10.40 O ATOM 202 CB ASN A 12 -11.794 7.174 -1.300 1.00 4.44 C ATOM 203 CG ASN A 12 -11.635 5.840 -0.598 1.00 21.31 C ATOM 204 OD1 ASN A 12 -11.195 4.858 -1.198 1.00 22.20 O ATOM 205 ND2 ASN A 12 -12.000 5.792 0.671 1.00 42.30 N ATOM 0 H ASN A 12 -9.428 7.910 -0.906 1.00 51.21 H new ATOM 0 HA ASN A 12 -10.708 6.432 -2.992 1.00 14.41 H new ATOM 0 HB2 ASN A 12 -11.685 7.980 -0.574 1.00 4.44 H new ATOM 0 HB3 ASN A 12 -12.801 7.249 -1.710 1.00 4.44 H new ATOM 0 HD21 ASN A 12 -11.922 4.918 1.191 1.00 42.30 H new ATOM 0 HD22 ASN A 12 -12.359 6.629 1.130 1.00 42.30 H new ATOM 212 N GLN A 13 -10.771 9.685 -3.138 1.00 75.24 N ATOM 213 CA GLN A 13 -11.118 10.807 -4.007 1.00 73.44 C ATOM 214 C GLN A 13 -10.382 10.713 -5.338 1.00 63.13 C ATOM 215 O GLN A 13 -10.944 11.000 -6.396 1.00 4.04 O ATOM 216 CB GLN A 13 -10.778 12.140 -3.341 1.00 50.15 C ATOM 217 CG GLN A 13 -11.596 12.442 -2.100 1.00 52.10 C ATOM 218 CD GLN A 13 -11.260 13.794 -1.513 1.00 51.41 C ATOM 219 OE1 GLN A 13 -11.866 14.808 -1.867 1.00 11.44 O ATOM 220 NE2 GLN A 13 -10.287 13.819 -0.620 1.00 25.22 N ATOM 0 H GLN A 13 -10.164 9.927 -2.355 1.00 75.24 H new ATOM 0 HA GLN A 13 -12.192 10.759 -4.186 1.00 73.44 H new ATOM 0 HB2 GLN A 13 -9.721 12.141 -3.075 1.00 50.15 H new ATOM 0 HB3 GLN A 13 -10.925 12.942 -4.064 1.00 50.15 H new ATOM 0 HG2 GLN A 13 -12.657 12.409 -2.348 1.00 52.10 H new ATOM 0 HG3 GLN A 13 -11.419 11.669 -1.353 1.00 52.10 H new ATOM 0 HE21 GLN A 13 -9.813 12.955 -0.357 1.00 25.22 H new ATOM 0 HE22 GLN A 13 -10.009 14.703 -0.193 1.00 25.22 H new ATOM 229 N GLY A 14 -9.123 10.311 -5.277 1.00 14.15 N ATOM 230 CA GLY A 14 -8.302 10.259 -6.468 1.00 31.54 C ATOM 231 C GLY A 14 -6.998 10.996 -6.272 1.00 63.24 C ATOM 232 O GLY A 14 -6.142 11.012 -7.158 1.00 1.33 O ATOM 0 H GLY A 14 -8.653 10.019 -4.420 1.00 14.15 H new ATOM 0 HA2 GLY A 14 -8.099 9.220 -6.726 1.00 31.54 H new ATOM 0 HA3 GLY A 14 -8.846 10.695 -7.306 1.00 31.54 H new ATOM 236 N ASP A 15 -6.844 11.603 -5.100 1.00 61.33 N ATOM 237 CA ASP A 15 -5.615 12.303 -4.739 1.00 42.43 C ATOM 238 C ASP A 15 -4.543 11.294 -4.338 1.00 72.14 C ATOM 239 O ASP A 15 -3.973 11.371 -3.250 1.00 60.21 O ATOM 240 CB ASP A 15 -5.865 13.278 -3.584 1.00 11.41 C ATOM 241 CG ASP A 15 -6.837 14.384 -3.940 1.00 12.12 C ATOM 242 OD1 ASP A 15 -8.059 14.178 -3.794 1.00 70.44 O ATOM 243 OD2 ASP A 15 -6.390 15.475 -4.346 1.00 41.50 O ATOM 0 H ASP A 15 -7.563 11.624 -4.377 1.00 61.33 H new ATOM 0 HA ASP A 15 -5.274 12.871 -5.605 1.00 42.43 H new ATOM 0 HB2 ASP A 15 -6.250 12.726 -2.727 1.00 11.41 H new ATOM 0 HB3 ASP A 15 -4.917 13.720 -3.278 1.00 11.41 H new ATOM 248 N ILE A 16 -4.280 10.349 -5.229 1.00 31.04 N ATOM 249 CA ILE A 16 -3.324 9.280 -4.980 1.00 10.53 C ATOM 250 C ILE A 16 -1.926 9.836 -4.725 1.00 24.21 C ATOM 251 O ILE A 16 -1.252 9.429 -3.782 1.00 20.14 O ATOM 252 CB ILE A 16 -3.271 8.299 -6.168 1.00 42.45 C ATOM 253 CG1 ILE A 16 -4.661 7.712 -6.444 1.00 71.11 C ATOM 254 CG2 ILE A 16 -2.262 7.188 -5.906 1.00 54.01 C ATOM 255 CD1 ILE A 16 -5.247 6.949 -5.275 1.00 13.31 C ATOM 0 H ILE A 16 -4.724 10.302 -6.146 1.00 31.04 H new ATOM 0 HA ILE A 16 -3.661 8.749 -4.090 1.00 10.53 H new ATOM 0 HB ILE A 16 -2.949 8.850 -7.052 1.00 42.45 H new ATOM 0 HG12 ILE A 16 -5.339 8.521 -6.714 1.00 71.11 H new ATOM 0 HG13 ILE A 16 -4.599 7.047 -7.305 1.00 71.11 H new ATOM 0 HG21 ILE A 16 -2.241 6.507 -6.757 1.00 54.01 H new ATOM 0 HG22 ILE A 16 -1.272 7.622 -5.764 1.00 54.01 H new ATOM 0 HG23 ILE A 16 -2.550 6.639 -5.009 1.00 54.01 H new ATOM 0 HD11 ILE A 16 -6.230 6.565 -5.547 1.00 13.31 H new ATOM 0 HD12 ILE A 16 -4.591 6.117 -5.018 1.00 13.31 H new ATOM 0 HD13 ILE A 16 -5.343 7.615 -4.417 1.00 13.31 H new ATOM 267 N GLU A 17 -1.511 10.781 -5.556 1.00 40.23 N ATOM 268 CA GLU A 17 -0.174 11.358 -5.460 1.00 1.13 C ATOM 269 C GLU A 17 -0.010 12.108 -4.145 1.00 71.13 C ATOM 270 O GLU A 17 1.045 12.054 -3.510 1.00 14.44 O ATOM 271 CB GLU A 17 0.078 12.296 -6.641 1.00 23.34 C ATOM 272 CG GLU A 17 -0.072 11.615 -7.989 1.00 11.21 C ATOM 273 CD GLU A 17 0.030 12.583 -9.149 1.00 62.14 C ATOM 274 OE1 GLU A 17 -0.941 13.329 -9.392 1.00 65.44 O ATOM 275 OE2 GLU A 17 1.076 12.602 -9.825 1.00 3.15 O ATOM 0 H GLU A 17 -2.082 11.167 -6.308 1.00 40.23 H new ATOM 0 HA GLU A 17 0.557 10.550 -5.489 1.00 1.13 H new ATOM 0 HB2 GLU A 17 -0.617 13.134 -6.585 1.00 23.34 H new ATOM 0 HB3 GLU A 17 1.083 12.709 -6.560 1.00 23.34 H new ATOM 0 HG2 GLU A 17 0.697 10.849 -8.092 1.00 11.21 H new ATOM 0 HG3 GLU A 17 -1.035 11.107 -8.029 1.00 11.21 H new ATOM 282 N ASN A 18 -1.070 12.795 -3.734 1.00 51.33 N ATOM 283 CA ASN A 18 -1.067 13.536 -2.476 1.00 2.33 C ATOM 284 C ASN A 18 -1.093 12.572 -1.298 1.00 1.22 C ATOM 285 O ASN A 18 -0.529 12.850 -0.243 1.00 35.42 O ATOM 286 CB ASN A 18 -2.262 14.496 -2.397 1.00 54.32 C ATOM 287 CG ASN A 18 -2.187 15.627 -3.410 1.00 12.13 C ATOM 288 OD1 ASN A 18 -1.669 15.463 -4.513 1.00 65.11 O ATOM 289 ND2 ASN A 18 -2.706 16.785 -3.043 1.00 13.11 N ATOM 0 H ASN A 18 -1.945 12.855 -4.255 1.00 51.33 H new ATOM 0 HA ASN A 18 -0.152 14.127 -2.434 1.00 2.33 H new ATOM 0 HB2 ASN A 18 -3.183 13.934 -2.556 1.00 54.32 H new ATOM 0 HB3 ASN A 18 -2.315 14.918 -1.393 1.00 54.32 H new ATOM 0 HD21 ASN A 18 -2.685 17.579 -3.683 1.00 13.11 H new ATOM 0 HD22 ASN A 18 -3.128 16.885 -2.120 1.00 13.11 H new ATOM 296 N ALA A 19 -1.748 11.437 -1.490 1.00 21.13 N ATOM 297 CA ALA A 19 -1.801 10.400 -0.471 1.00 23.50 C ATOM 298 C ALA A 19 -0.431 9.765 -0.277 1.00 2.10 C ATOM 299 O ALA A 19 0.039 9.615 0.850 1.00 23.14 O ATOM 300 CB ALA A 19 -2.826 9.345 -0.849 1.00 21.51 C ATOM 0 H ALA A 19 -2.253 11.210 -2.347 1.00 21.13 H new ATOM 0 HA ALA A 19 -2.101 10.858 0.472 1.00 23.50 H new ATOM 0 HB1 ALA A 19 -2.856 8.575 -0.079 1.00 21.51 H new ATOM 0 HB2 ALA A 19 -3.809 9.808 -0.938 1.00 21.51 H new ATOM 0 HB3 ALA A 19 -2.550 8.894 -1.802 1.00 21.51 H new ATOM 306 N LEU A 20 0.212 9.415 -1.385 1.00 52.22 N ATOM 307 CA LEU A 20 1.514 8.755 -1.357 1.00 43.01 C ATOM 308 C LEU A 20 2.556 9.589 -0.616 1.00 31.23 C ATOM 309 O LEU A 20 3.287 9.073 0.231 1.00 52.11 O ATOM 310 CB LEU A 20 1.992 8.480 -2.783 1.00 31.30 C ATOM 311 CG LEU A 20 1.092 7.552 -3.601 1.00 2.35 C ATOM 312 CD1 LEU A 20 1.620 7.414 -5.019 1.00 40.43 C ATOM 313 CD2 LEU A 20 0.982 6.186 -2.939 1.00 74.41 C ATOM 0 H LEU A 20 -0.151 9.579 -2.324 1.00 52.22 H new ATOM 0 HA LEU A 20 1.395 7.814 -0.821 1.00 43.01 H new ATOM 0 HB2 LEU A 20 2.082 9.430 -3.309 1.00 31.30 H new ATOM 0 HB3 LEU A 20 2.990 8.045 -2.738 1.00 31.30 H new ATOM 0 HG LEU A 20 0.096 7.992 -3.643 1.00 2.35 H new ATOM 0 HD11 LEU A 20 0.968 6.750 -5.587 1.00 40.43 H new ATOM 0 HD12 LEU A 20 1.644 8.394 -5.495 1.00 40.43 H new ATOM 0 HD13 LEU A 20 2.627 6.998 -4.993 1.00 40.43 H new ATOM 0 HD21 LEU A 20 0.337 5.542 -3.538 1.00 74.41 H new ATOM 0 HD22 LEU A 20 1.973 5.738 -2.863 1.00 74.41 H new ATOM 0 HD23 LEU A 20 0.557 6.298 -1.942 1.00 74.41 H new ATOM 325 N GLN A 21 2.610 10.878 -0.923 1.00 0.41 N ATOM 326 CA GLN A 21 3.600 11.761 -0.318 1.00 4.20 C ATOM 327 C GLN A 21 3.277 12.020 1.153 1.00 21.11 C ATOM 328 O GLN A 21 4.181 12.188 1.974 1.00 32.54 O ATOM 329 CB GLN A 21 3.702 13.072 -1.102 1.00 55.05 C ATOM 330 CG GLN A 21 2.413 13.866 -1.153 1.00 10.35 C ATOM 331 CD GLN A 21 2.471 15.003 -2.150 1.00 32.11 C ATOM 332 OE1 GLN A 21 2.867 16.121 -1.822 1.00 21.21 O ATOM 333 NE2 GLN A 21 2.068 14.722 -3.378 1.00 53.43 N ATOM 0 H GLN A 21 1.983 11.335 -1.585 1.00 0.41 H new ATOM 0 HA GLN A 21 4.570 11.266 -0.360 1.00 4.20 H new ATOM 0 HB2 GLN A 21 4.479 13.691 -0.654 1.00 55.05 H new ATOM 0 HB3 GLN A 21 4.019 12.849 -2.121 1.00 55.05 H new ATOM 0 HG2 GLN A 21 1.590 13.200 -1.414 1.00 10.35 H new ATOM 0 HG3 GLN A 21 2.197 14.266 -0.162 1.00 10.35 H new ATOM 0 HE21 GLN A 21 1.747 13.781 -3.607 1.00 53.43 H new ATOM 0 HE22 GLN A 21 2.078 15.446 -4.096 1.00 53.43 H new ATOM 342 N ALA A 22 1.991 12.031 1.491 1.00 63.10 N ATOM 343 CA ALA A 22 1.575 12.181 2.880 1.00 53.31 C ATOM 344 C ALA A 22 1.927 10.927 3.673 1.00 21.21 C ATOM 345 O ALA A 22 2.225 10.989 4.867 1.00 64.42 O ATOM 346 CB ALA A 22 0.084 12.472 2.961 1.00 25.05 C ATOM 0 H ALA A 22 1.223 11.938 0.826 1.00 63.10 H new ATOM 0 HA ALA A 22 2.109 13.025 3.317 1.00 53.31 H new ATOM 0 HB1 ALA A 22 -0.209 12.581 4.005 1.00 25.05 H new ATOM 0 HB2 ALA A 22 -0.136 13.395 2.424 1.00 25.05 H new ATOM 0 HB3 ALA A 22 -0.472 11.649 2.512 1.00 25.05 H new ATOM 352 N LEU A 23 1.904 9.788 2.995 1.00 44.23 N ATOM 353 CA LEU A 23 2.306 8.529 3.601 1.00 52.33 C ATOM 354 C LEU A 23 3.797 8.546 3.911 1.00 24.33 C ATOM 355 O LEU A 23 4.216 8.110 4.981 1.00 22.51 O ATOM 356 CB LEU A 23 1.960 7.364 2.673 1.00 55.35 C ATOM 357 CG LEU A 23 0.465 7.083 2.531 1.00 34.11 C ATOM 358 CD1 LEU A 23 0.197 6.181 1.338 1.00 4.14 C ATOM 359 CD2 LEU A 23 -0.070 6.450 3.805 1.00 42.14 C ATOM 0 H LEU A 23 1.610 9.711 2.021 1.00 44.23 H new ATOM 0 HA LEU A 23 1.763 8.398 4.537 1.00 52.33 H new ATOM 0 HB2 LEU A 23 2.373 7.569 1.685 1.00 55.35 H new ATOM 0 HB3 LEU A 23 2.451 6.464 3.043 1.00 55.35 H new ATOM 0 HG LEU A 23 -0.050 8.029 2.364 1.00 34.11 H new ATOM 0 HD11 LEU A 23 -0.874 5.994 1.256 1.00 4.14 H new ATOM 0 HD12 LEU A 23 0.551 6.666 0.428 1.00 4.14 H new ATOM 0 HD13 LEU A 23 0.721 5.235 1.472 1.00 4.14 H new ATOM 0 HD21 LEU A 23 -1.136 6.254 3.694 1.00 42.14 H new ATOM 0 HD22 LEU A 23 0.454 5.513 3.993 1.00 42.14 H new ATOM 0 HD23 LEU A 23 0.088 7.129 4.643 1.00 42.14 H new ATOM 371 N GLU A 24 4.591 9.068 2.975 1.00 32.33 N ATOM 372 CA GLU A 24 6.027 9.229 3.189 1.00 43.54 C ATOM 373 C GLU A 24 6.281 10.086 4.425 1.00 64.43 C ATOM 374 O GLU A 24 7.194 9.817 5.210 1.00 63.14 O ATOM 375 CB GLU A 24 6.683 9.889 1.980 1.00 2.41 C ATOM 376 CG GLU A 24 6.531 9.114 0.683 1.00 73.40 C ATOM 377 CD GLU A 24 7.131 9.853 -0.495 1.00 2.33 C ATOM 378 OE1 GLU A 24 8.348 9.717 -0.731 1.00 43.24 O ATOM 379 OE2 GLU A 24 6.391 10.585 -1.185 1.00 32.12 O ATOM 0 H GLU A 24 4.263 9.386 2.063 1.00 32.33 H new ATOM 0 HA GLU A 24 6.460 8.239 3.333 1.00 43.54 H new ATOM 0 HB2 GLU A 24 6.256 10.883 1.847 1.00 2.41 H new ATOM 0 HB3 GLU A 24 7.745 10.024 2.186 1.00 2.41 H new ATOM 0 HG2 GLU A 24 7.012 8.141 0.784 1.00 73.40 H new ATOM 0 HG3 GLU A 24 5.474 8.928 0.494 1.00 73.40 H new ATOM 386 N GLU A 25 5.460 11.116 4.581 1.00 52.55 N ATOM 387 CA GLU A 25 5.528 12.007 5.732 1.00 0.52 C ATOM 388 C GLU A 25 5.318 11.206 7.013 1.00 13.15 C ATOM 389 O GLU A 25 6.129 11.268 7.942 1.00 42.44 O ATOM 390 CB GLU A 25 4.451 13.091 5.588 1.00 14.44 C ATOM 391 CG GLU A 25 4.680 14.349 6.416 1.00 63.43 C ATOM 392 CD GLU A 25 4.513 14.145 7.911 1.00 15.23 C ATOM 393 OE1 GLU A 25 3.439 13.676 8.342 1.00 61.42 O ATOM 394 OE2 GLU A 25 5.447 14.488 8.666 1.00 74.41 O ATOM 0 H GLU A 25 4.728 11.358 3.913 1.00 52.55 H new ATOM 0 HA GLU A 25 6.508 12.483 5.781 1.00 0.52 H new ATOM 0 HB2 GLU A 25 4.382 13.374 4.538 1.00 14.44 H new ATOM 0 HB3 GLU A 25 3.488 12.663 5.866 1.00 14.44 H new ATOM 0 HG2 GLU A 25 5.686 14.722 6.221 1.00 63.43 H new ATOM 0 HG3 GLU A 25 3.985 15.120 6.085 1.00 63.43 H new ATOM 401 N PHE A 26 4.239 10.433 7.036 1.00 70.40 N ATOM 402 CA PHE A 26 3.896 9.614 8.193 1.00 75.22 C ATOM 403 C PHE A 26 4.988 8.586 8.482 1.00 61.23 C ATOM 404 O PHE A 26 5.297 8.306 9.641 1.00 50.41 O ATOM 405 CB PHE A 26 2.555 8.916 7.959 1.00 34.41 C ATOM 406 CG PHE A 26 1.997 8.242 9.183 1.00 24.23 C ATOM 407 CD1 PHE A 26 1.279 8.968 10.120 1.00 30.31 C ATOM 408 CD2 PHE A 26 2.192 6.889 9.398 1.00 24.25 C ATOM 409 CE1 PHE A 26 0.768 8.357 11.247 1.00 63.20 C ATOM 410 CE2 PHE A 26 1.683 6.273 10.525 1.00 41.44 C ATOM 411 CZ PHE A 26 0.968 7.007 11.450 1.00 43.10 C ATOM 0 H PHE A 26 3.582 10.356 6.260 1.00 70.40 H new ATOM 0 HA PHE A 26 3.812 10.266 9.062 1.00 75.22 H new ATOM 0 HB2 PHE A 26 1.833 9.649 7.599 1.00 34.41 H new ATOM 0 HB3 PHE A 26 2.676 8.173 7.170 1.00 34.41 H new ATOM 0 HD1 PHE A 26 1.117 10.025 9.966 1.00 30.31 H new ATOM 0 HD2 PHE A 26 2.748 6.308 8.677 1.00 24.25 H new ATOM 0 HE1 PHE A 26 0.212 8.935 11.970 1.00 63.20 H new ATOM 0 HE2 PHE A 26 1.845 5.217 10.682 1.00 41.44 H new ATOM 0 HZ PHE A 26 0.566 6.526 12.330 1.00 43.10 H new ATOM 421 N LEU A 27 5.585 8.044 7.423 1.00 25.32 N ATOM 422 CA LEU A 27 6.640 7.041 7.556 1.00 44.12 C ATOM 423 C LEU A 27 7.804 7.551 8.399 1.00 0.23 C ATOM 424 O LEU A 27 8.455 6.781 9.101 1.00 44.52 O ATOM 425 CB LEU A 27 7.179 6.629 6.183 1.00 0.11 C ATOM 426 CG LEU A 27 6.205 5.877 5.278 1.00 14.11 C ATOM 427 CD1 LEU A 27 6.892 5.478 3.981 1.00 32.44 C ATOM 428 CD2 LEU A 27 5.655 4.649 5.989 1.00 13.42 C ATOM 0 H LEU A 27 5.355 8.284 6.459 1.00 25.32 H new ATOM 0 HA LEU A 27 6.190 6.182 8.053 1.00 44.12 H new ATOM 0 HB2 LEU A 27 7.510 7.527 5.661 1.00 0.11 H new ATOM 0 HB3 LEU A 27 8.060 6.005 6.333 1.00 0.11 H new ATOM 0 HG LEU A 27 5.371 6.538 5.041 1.00 14.11 H new ATOM 0 HD11 LEU A 27 6.187 4.943 3.345 1.00 32.44 H new ATOM 0 HD12 LEU A 27 7.240 6.372 3.464 1.00 32.44 H new ATOM 0 HD13 LEU A 27 7.742 4.833 4.203 1.00 32.44 H new ATOM 0 HD21 LEU A 27 4.963 4.126 5.329 1.00 13.42 H new ATOM 0 HD22 LEU A 27 6.477 3.984 6.254 1.00 13.42 H new ATOM 0 HD23 LEU A 27 5.131 4.957 6.894 1.00 13.42 H new ATOM 440 N GLN A 28 8.073 8.844 8.315 1.00 73.44 N ATOM 441 CA GLN A 28 9.218 9.427 9.000 1.00 61.34 C ATOM 442 C GLN A 28 8.851 9.924 10.394 1.00 22.11 C ATOM 443 O GLN A 28 9.726 10.160 11.224 1.00 53.02 O ATOM 444 CB GLN A 28 9.797 10.573 8.171 1.00 62.00 C ATOM 445 CG GLN A 28 10.349 10.128 6.829 1.00 41.43 C ATOM 446 CD GLN A 28 10.810 11.289 5.974 1.00 60.24 C ATOM 447 OE1 GLN A 28 10.035 11.842 5.193 1.00 23.11 O ATOM 448 NE2 GLN A 28 12.068 11.669 6.118 1.00 51.30 N ATOM 0 H GLN A 28 7.515 9.510 7.780 1.00 73.44 H new ATOM 0 HA GLN A 28 9.969 8.645 9.114 1.00 61.34 H new ATOM 0 HB2 GLN A 28 9.021 11.321 8.006 1.00 62.00 H new ATOM 0 HB3 GLN A 28 10.591 11.058 8.739 1.00 62.00 H new ATOM 0 HG2 GLN A 28 11.185 9.448 6.992 1.00 41.43 H new ATOM 0 HG3 GLN A 28 9.582 9.569 6.293 1.00 41.43 H new ATOM 0 HE21 GLN A 28 12.676 11.182 6.777 1.00 51.30 H new ATOM 0 HE22 GLN A 28 12.431 12.449 5.570 1.00 51.30 H new ATOM 457 N THR A 29 7.562 10.063 10.660 1.00 71.42 N ATOM 458 CA THR A 29 7.125 10.646 11.920 1.00 11.43 C ATOM 459 C THR A 29 6.577 9.585 12.876 1.00 24.31 C ATOM 460 O THR A 29 6.661 9.741 14.091 1.00 12.31 O ATOM 461 CB THR A 29 6.075 11.763 11.697 1.00 34.44 C ATOM 462 OG1 THR A 29 5.812 12.453 12.926 1.00 2.21 O ATOM 463 CG2 THR A 29 4.774 11.205 11.144 1.00 1.34 C ATOM 0 H THR A 29 6.809 9.785 10.031 1.00 71.42 H new ATOM 0 HA THR A 29 8.006 11.093 12.381 1.00 11.43 H new ATOM 0 HB THR A 29 6.489 12.458 10.967 1.00 34.44 H new ATOM 0 HG1 THR A 29 5.148 13.157 12.770 1.00 2.21 H new ATOM 0 HG21 THR A 29 4.062 12.017 11.000 1.00 1.34 H new ATOM 0 HG22 THR A 29 4.965 10.716 10.188 1.00 1.34 H new ATOM 0 HG23 THR A 29 4.361 10.480 11.846 1.00 1.34 H new ATOM 471 N GLU A 30 6.027 8.506 12.329 1.00 22.21 N ATOM 472 CA GLU A 30 5.464 7.440 13.143 1.00 71.25 C ATOM 473 C GLU A 30 5.937 6.076 12.661 1.00 13.03 C ATOM 474 O GLU A 30 5.389 5.507 11.718 1.00 31.33 O ATOM 475 CB GLU A 30 3.937 7.499 13.140 1.00 74.43 C ATOM 476 CG GLU A 30 3.368 8.605 14.009 1.00 53.42 C ATOM 477 CD GLU A 30 3.776 8.451 15.456 1.00 12.11 C ATOM 478 OE1 GLU A 30 3.437 7.415 16.064 1.00 61.20 O ATOM 479 OE2 GLU A 30 4.433 9.363 15.998 1.00 11.32 O ATOM 0 H GLU A 30 5.960 8.348 11.323 1.00 22.21 H new ATOM 0 HA GLU A 30 5.815 7.585 14.165 1.00 71.25 H new ATOM 0 HB2 GLU A 30 3.590 7.638 12.116 1.00 74.43 H new ATOM 0 HB3 GLU A 30 3.544 6.542 13.482 1.00 74.43 H new ATOM 0 HG2 GLU A 30 3.709 9.571 13.637 1.00 53.42 H new ATOM 0 HG3 GLU A 30 2.280 8.601 13.936 1.00 53.42 H new ATOM 486 N PRO A 31 6.977 5.544 13.309 1.00 13.31 N ATOM 487 CA PRO A 31 7.534 4.223 12.999 1.00 24.22 C ATOM 488 C PRO A 31 6.587 3.080 13.357 1.00 3.13 C ATOM 489 O PRO A 31 6.843 1.925 13.023 1.00 71.23 O ATOM 490 CB PRO A 31 8.793 4.155 13.868 1.00 73.31 C ATOM 491 CG PRO A 31 8.525 5.097 14.988 1.00 73.20 C ATOM 492 CD PRO A 31 7.723 6.212 14.385 1.00 31.32 C ATOM 0 HA PRO A 31 7.721 4.110 11.931 1.00 24.22 H new ATOM 0 HB2 PRO A 31 8.968 3.143 14.234 1.00 73.31 H new ATOM 0 HB3 PRO A 31 9.679 4.449 13.306 1.00 73.31 H new ATOM 0 HG2 PRO A 31 7.975 4.607 15.791 1.00 73.20 H new ATOM 0 HG3 PRO A 31 9.454 5.470 15.419 1.00 73.20 H new ATOM 0 HD2 PRO A 31 7.055 6.668 15.115 1.00 31.32 H new ATOM 0 HD3 PRO A 31 8.363 7.006 13.999 1.00 31.32 H new ATOM 500 N VAL A 32 5.499 3.400 14.037 1.00 51.14 N ATOM 501 CA VAL A 32 4.541 2.383 14.446 1.00 52.33 C ATOM 502 C VAL A 32 3.479 2.159 13.368 1.00 64.11 C ATOM 503 O VAL A 32 2.978 1.050 13.206 1.00 2.01 O ATOM 504 CB VAL A 32 3.863 2.749 15.793 1.00 64.04 C ATOM 505 CG1 VAL A 32 3.025 4.015 15.666 1.00 24.30 C ATOM 506 CG2 VAL A 32 3.019 1.591 16.307 1.00 62.24 C ATOM 0 H VAL A 32 5.256 4.350 14.317 1.00 51.14 H new ATOM 0 HA VAL A 32 5.098 1.456 14.584 1.00 52.33 H new ATOM 0 HB VAL A 32 4.652 2.945 16.519 1.00 64.04 H new ATOM 0 HG11 VAL A 32 2.564 4.244 16.627 1.00 24.30 H new ATOM 0 HG12 VAL A 32 3.663 4.845 15.363 1.00 24.30 H new ATOM 0 HG13 VAL A 32 2.248 3.863 14.917 1.00 24.30 H new ATOM 0 HG21 VAL A 32 2.554 1.871 17.252 1.00 62.24 H new ATOM 0 HG22 VAL A 32 2.244 1.353 15.578 1.00 62.24 H new ATOM 0 HG23 VAL A 32 3.654 0.718 16.460 1.00 62.24 H new ATOM 516 N GLY A 33 3.177 3.203 12.602 1.00 31.31 N ATOM 517 CA GLY A 33 2.119 3.112 11.610 1.00 71.22 C ATOM 518 C GLY A 33 2.658 2.849 10.222 1.00 45.22 C ATOM 519 O GLY A 33 2.060 3.246 9.222 1.00 32.34 O ATOM 0 H GLY A 33 3.644 4.108 12.650 1.00 31.31 H new ATOM 0 HA2 GLY A 33 1.431 2.314 11.888 1.00 71.22 H new ATOM 0 HA3 GLY A 33 1.547 4.040 11.606 1.00 71.22 H new ATOM 523 N LYS A 34 3.796 2.175 10.169 1.00 51.51 N ATOM 524 CA LYS A 34 4.455 1.860 8.910 1.00 63.11 C ATOM 525 C LYS A 34 3.581 0.938 8.064 1.00 72.12 C ATOM 526 O LYS A 34 3.390 1.167 6.870 1.00 24.05 O ATOM 527 CB LYS A 34 5.792 1.176 9.184 1.00 45.42 C ATOM 528 CG LYS A 34 6.774 2.007 9.994 1.00 1.33 C ATOM 529 CD LYS A 34 7.598 2.933 9.119 1.00 22.32 C ATOM 530 CE LYS A 34 8.726 3.559 9.919 1.00 42.45 C ATOM 531 NZ LYS A 34 9.704 4.262 9.052 1.00 21.54 N ATOM 0 H LYS A 34 4.288 1.832 10.994 1.00 51.51 H new ATOM 0 HA LYS A 34 4.621 2.789 8.365 1.00 63.11 H new ATOM 0 HB2 LYS A 34 5.605 0.241 9.712 1.00 45.42 H new ATOM 0 HB3 LYS A 34 6.255 0.917 8.232 1.00 45.42 H new ATOM 0 HG2 LYS A 34 6.228 2.596 10.731 1.00 1.33 H new ATOM 0 HG3 LYS A 34 7.440 1.344 10.546 1.00 1.33 H new ATOM 0 HD2 LYS A 34 8.008 2.377 8.276 1.00 22.32 H new ATOM 0 HD3 LYS A 34 6.961 3.715 8.706 1.00 22.32 H new ATOM 0 HE2 LYS A 34 8.311 4.263 10.640 1.00 42.45 H new ATOM 0 HE3 LYS A 34 9.239 2.784 10.489 1.00 42.45 H new ATOM 0 HZ1 LYS A 34 10.646 4.227 9.492 1.00 21.54 H new ATOM 0 HZ2 LYS A 34 9.739 3.799 8.122 1.00 21.54 H new ATOM 0 HZ3 LYS A 34 9.414 5.254 8.934 1.00 21.54 H new ATOM 545 N ASP A 35 3.035 -0.089 8.705 1.00 34.40 N ATOM 546 CA ASP A 35 2.258 -1.117 8.018 1.00 71.40 C ATOM 547 C ASP A 35 0.954 -0.548 7.467 1.00 23.04 C ATOM 548 O ASP A 35 0.527 -0.919 6.371 1.00 34.41 O ATOM 549 CB ASP A 35 1.984 -2.305 8.955 1.00 23.52 C ATOM 550 CG ASP A 35 1.230 -1.929 10.219 1.00 63.42 C ATOM 551 OD1 ASP A 35 1.518 -0.862 10.800 1.00 40.32 O ATOM 552 OD2 ASP A 35 0.358 -2.715 10.645 1.00 70.42 O ATOM 0 H ASP A 35 3.117 -0.233 9.711 1.00 34.40 H new ATOM 0 HA ASP A 35 2.847 -1.475 7.173 1.00 71.40 H new ATOM 0 HB2 ASP A 35 1.413 -3.059 8.413 1.00 23.52 H new ATOM 0 HB3 ASP A 35 2.933 -2.763 9.232 1.00 23.52 H new ATOM 557 N GLU A 36 0.341 0.361 8.218 1.00 55.24 N ATOM 558 CA GLU A 36 -0.843 1.076 7.747 1.00 51.53 C ATOM 559 C GLU A 36 -0.503 1.879 6.493 1.00 61.11 C ATOM 560 O GLU A 36 -1.185 1.785 5.473 1.00 25.01 O ATOM 561 CB GLU A 36 -1.364 2.020 8.839 1.00 41.43 C ATOM 562 CG GLU A 36 -2.490 2.943 8.382 1.00 32.03 C ATOM 563 CD GLU A 36 -3.854 2.283 8.365 1.00 4.44 C ATOM 564 OE1 GLU A 36 -4.106 1.446 7.484 1.00 13.21 O ATOM 565 OE2 GLU A 36 -4.692 2.622 9.233 1.00 52.31 O ATOM 0 H GLU A 36 0.644 0.621 9.157 1.00 55.24 H new ATOM 0 HA GLU A 36 -1.618 0.348 7.509 1.00 51.53 H new ATOM 0 HB2 GLU A 36 -1.717 1.424 9.681 1.00 41.43 H new ATOM 0 HB3 GLU A 36 -0.536 2.628 9.203 1.00 41.43 H new ATOM 0 HG2 GLU A 36 -2.525 3.811 9.040 1.00 32.03 H new ATOM 0 HG3 GLU A 36 -2.262 3.311 7.381 1.00 32.03 H new ATOM 572 N ALA A 37 0.575 2.651 6.578 1.00 73.34 N ATOM 573 CA ALA A 37 0.984 3.529 5.491 1.00 72.33 C ATOM 574 C ALA A 37 1.341 2.745 4.231 1.00 64.21 C ATOM 575 O ALA A 37 0.920 3.106 3.132 1.00 30.12 O ATOM 576 CB ALA A 37 2.152 4.399 5.926 1.00 45.14 C ATOM 0 H ALA A 37 1.184 2.685 7.395 1.00 73.34 H new ATOM 0 HA ALA A 37 0.136 4.169 5.247 1.00 72.33 H new ATOM 0 HB1 ALA A 37 2.447 5.050 5.103 1.00 45.14 H new ATOM 0 HB2 ALA A 37 1.855 5.006 6.781 1.00 45.14 H new ATOM 0 HB3 ALA A 37 2.993 3.765 6.206 1.00 45.14 H new ATOM 582 N TYR A 38 2.103 1.667 4.391 1.00 23.21 N ATOM 583 CA TYR A 38 2.505 0.847 3.251 1.00 32.41 C ATOM 584 C TYR A 38 1.298 0.155 2.622 1.00 61.20 C ATOM 585 O TYR A 38 1.242 -0.025 1.402 1.00 23.42 O ATOM 586 CB TYR A 38 3.562 -0.184 3.654 1.00 34.43 C ATOM 587 CG TYR A 38 4.943 0.403 3.846 1.00 61.14 C ATOM 588 CD1 TYR A 38 5.574 1.090 2.816 1.00 3.10 C ATOM 589 CD2 TYR A 38 5.617 0.273 5.055 1.00 53.10 C ATOM 590 CE1 TYR A 38 6.834 1.630 2.983 1.00 71.14 C ATOM 591 CE2 TYR A 38 6.879 0.814 5.228 1.00 75.43 C ATOM 592 CZ TYR A 38 7.482 1.490 4.190 1.00 63.14 C ATOM 593 OH TYR A 38 8.739 2.031 4.359 1.00 62.41 O ATOM 0 H TYR A 38 2.453 1.342 5.292 1.00 23.21 H new ATOM 0 HA TYR A 38 2.946 1.512 2.508 1.00 32.41 H new ATOM 0 HB2 TYR A 38 3.251 -0.667 4.580 1.00 34.43 H new ATOM 0 HB3 TYR A 38 3.610 -0.960 2.890 1.00 34.43 H new ATOM 0 HD1 TYR A 38 5.070 1.204 1.868 1.00 3.10 H new ATOM 0 HD2 TYR A 38 5.149 -0.258 5.871 1.00 53.10 H new ATOM 0 HE1 TYR A 38 7.309 2.160 2.171 1.00 71.14 H new ATOM 0 HE2 TYR A 38 7.389 0.707 6.174 1.00 75.43 H new ATOM 0 HH TYR A 38 9.056 1.845 5.268 1.00 62.41 H new ATOM 603 N TYR A 39 0.332 -0.228 3.450 1.00 34.25 N ATOM 604 CA TYR A 39 -0.913 -0.795 2.946 1.00 10.33 C ATOM 605 C TYR A 39 -1.667 0.240 2.118 1.00 31.11 C ATOM 606 O TYR A 39 -2.128 -0.051 1.011 1.00 14.20 O ATOM 607 CB TYR A 39 -1.803 -1.288 4.092 1.00 53.04 C ATOM 608 CG TYR A 39 -3.123 -1.859 3.616 1.00 31.12 C ATOM 609 CD1 TYR A 39 -3.221 -3.187 3.218 1.00 42.21 C ATOM 610 CD2 TYR A 39 -4.266 -1.069 3.551 1.00 51.13 C ATOM 611 CE1 TYR A 39 -4.415 -3.710 2.763 1.00 11.50 C ATOM 612 CE2 TYR A 39 -5.467 -1.586 3.099 1.00 4.04 C ATOM 613 CZ TYR A 39 -5.536 -2.908 2.707 1.00 61.13 C ATOM 614 OH TYR A 39 -6.726 -3.429 2.250 1.00 33.43 O ATOM 0 H TYR A 39 0.386 -0.157 4.466 1.00 34.25 H new ATOM 0 HA TYR A 39 -0.660 -1.648 2.316 1.00 10.33 H new ATOM 0 HB2 TYR A 39 -1.267 -2.050 4.658 1.00 53.04 H new ATOM 0 HB3 TYR A 39 -1.997 -0.461 4.775 1.00 53.04 H new ATOM 0 HD1 TYR A 39 -2.348 -3.821 3.265 1.00 42.21 H new ATOM 0 HD2 TYR A 39 -4.215 -0.035 3.858 1.00 51.13 H new ATOM 0 HE1 TYR A 39 -4.471 -4.743 2.452 1.00 11.50 H new ATOM 0 HE2 TYR A 39 -6.345 -0.959 3.053 1.00 4.04 H new ATOM 0 HH TYR A 39 -7.418 -2.735 2.274 1.00 33.43 H new ATOM 624 N LEU A 40 -1.788 1.446 2.661 1.00 61.42 N ATOM 625 CA LEU A 40 -2.468 2.535 1.974 1.00 12.41 C ATOM 626 C LEU A 40 -1.768 2.863 0.664 1.00 62.04 C ATOM 627 O LEU A 40 -2.417 3.188 -0.331 1.00 1.20 O ATOM 628 CB LEU A 40 -2.535 3.776 2.865 1.00 35.43 C ATOM 629 CG LEU A 40 -3.330 3.603 4.158 1.00 72.52 C ATOM 630 CD1 LEU A 40 -3.377 4.908 4.933 1.00 35.50 C ATOM 631 CD2 LEU A 40 -4.735 3.106 3.853 1.00 53.34 C ATOM 0 H LEU A 40 -1.421 1.694 3.580 1.00 61.42 H new ATOM 0 HA LEU A 40 -3.485 2.213 1.751 1.00 12.41 H new ATOM 0 HB2 LEU A 40 -1.519 4.077 3.119 1.00 35.43 H new ATOM 0 HB3 LEU A 40 -2.975 4.592 2.292 1.00 35.43 H new ATOM 0 HG LEU A 40 -2.829 2.858 4.777 1.00 72.52 H new ATOM 0 HD11 LEU A 40 -3.947 4.766 5.851 1.00 35.50 H new ATOM 0 HD12 LEU A 40 -2.363 5.221 5.181 1.00 35.50 H new ATOM 0 HD13 LEU A 40 -3.855 5.676 4.324 1.00 35.50 H new ATOM 0 HD21 LEU A 40 -5.289 2.988 4.784 1.00 53.34 H new ATOM 0 HD22 LEU A 40 -5.246 3.828 3.216 1.00 53.34 H new ATOM 0 HD23 LEU A 40 -4.678 2.146 3.340 1.00 53.34 H new ATOM 643 N MET A 41 -0.445 2.771 0.674 1.00 60.34 N ATOM 644 CA MET A 41 0.342 2.935 -0.537 1.00 61.00 C ATOM 645 C MET A 41 -0.097 1.931 -1.592 1.00 3.44 C ATOM 646 O MET A 41 -0.449 2.309 -2.708 1.00 21.40 O ATOM 647 CB MET A 41 1.826 2.738 -0.241 1.00 2.03 C ATOM 648 CG MET A 41 2.515 3.954 0.345 1.00 22.12 C ATOM 649 SD MET A 41 4.252 3.646 0.704 1.00 11.33 S ATOM 650 CE MET A 41 4.803 5.287 1.147 1.00 41.02 C ATOM 0 H MET A 41 0.106 2.583 1.512 1.00 60.34 H new ATOM 0 HA MET A 41 0.182 3.946 -0.911 1.00 61.00 H new ATOM 0 HB2 MET A 41 1.938 1.903 0.451 1.00 2.03 H new ATOM 0 HB3 MET A 41 2.334 2.457 -1.164 1.00 2.03 H new ATOM 0 HG2 MET A 41 2.432 4.787 -0.353 1.00 22.12 H new ATOM 0 HG3 MET A 41 2.004 4.253 1.260 1.00 22.12 H new ATOM 0 HE1 MET A 41 5.892 5.320 1.137 1.00 41.02 H new ATOM 0 HE2 MET A 41 4.411 6.008 0.430 1.00 41.02 H new ATOM 0 HE3 MET A 41 4.442 5.535 2.145 1.00 41.02 H new ATOM 660 N GLY A 42 -0.101 0.656 -1.218 1.00 20.43 N ATOM 661 CA GLY A 42 -0.501 -0.390 -2.138 1.00 74.43 C ATOM 662 C GLY A 42 -1.923 -0.207 -2.624 1.00 63.34 C ATOM 663 O GLY A 42 -2.217 -0.423 -3.799 1.00 21.14 O ATOM 0 H GLY A 42 0.167 0.328 -0.290 1.00 20.43 H new ATOM 0 HA2 GLY A 42 0.176 -0.399 -2.993 1.00 74.43 H new ATOM 0 HA3 GLY A 42 -0.408 -1.359 -1.648 1.00 74.43 H new ATOM 667 N ASN A 43 -2.794 0.206 -1.716 1.00 4.53 N ATOM 668 CA ASN A 43 -4.186 0.482 -2.044 1.00 4.30 C ATOM 669 C ASN A 43 -4.276 1.589 -3.096 1.00 54.41 C ATOM 670 O ASN A 43 -5.019 1.481 -4.073 1.00 40.15 O ATOM 671 CB ASN A 43 -4.941 0.879 -0.771 1.00 44.45 C ATOM 672 CG ASN A 43 -6.424 1.096 -0.996 1.00 73.30 C ATOM 673 OD1 ASN A 43 -7.025 0.514 -1.901 1.00 70.22 O ATOM 674 ND2 ASN A 43 -7.032 1.918 -0.155 1.00 21.52 N ATOM 0 H ASN A 43 -2.558 0.359 -0.735 1.00 4.53 H new ATOM 0 HA ASN A 43 -4.643 -0.415 -2.461 1.00 4.30 H new ATOM 0 HB2 ASN A 43 -4.805 0.102 -0.019 1.00 44.45 H new ATOM 0 HB3 ASN A 43 -4.504 1.793 -0.368 1.00 44.45 H new ATOM 0 HD21 ASN A 43 -8.034 2.089 -0.243 1.00 21.52 H new ATOM 0 HD22 ASN A 43 -6.499 2.381 0.581 1.00 21.52 H new ATOM 681 N ALA A 44 -3.487 2.636 -2.908 1.00 22.53 N ATOM 682 CA ALA A 44 -3.456 3.747 -3.844 1.00 45.01 C ATOM 683 C ALA A 44 -2.863 3.315 -5.183 1.00 51.15 C ATOM 684 O ALA A 44 -3.340 3.718 -6.246 1.00 3.35 O ATOM 685 CB ALA A 44 -2.670 4.911 -3.255 1.00 41.10 C ATOM 0 H ALA A 44 -2.858 2.739 -2.112 1.00 22.53 H new ATOM 0 HA ALA A 44 -4.480 4.075 -4.022 1.00 45.01 H new ATOM 0 HB1 ALA A 44 -2.655 5.737 -3.966 1.00 41.10 H new ATOM 0 HB2 ALA A 44 -3.143 5.238 -2.329 1.00 41.10 H new ATOM 0 HB3 ALA A 44 -1.649 4.592 -3.047 1.00 41.10 H new ATOM 691 N TYR A 45 -1.840 2.470 -5.129 1.00 73.03 N ATOM 692 CA TYR A 45 -1.177 1.996 -6.336 1.00 74.40 C ATOM 693 C TYR A 45 -2.050 1.015 -7.111 1.00 35.23 C ATOM 694 O TYR A 45 -2.011 0.995 -8.341 1.00 22.12 O ATOM 695 CB TYR A 45 0.170 1.347 -6.009 1.00 13.21 C ATOM 696 CG TYR A 45 1.259 2.336 -5.655 1.00 4.12 C ATOM 697 CD1 TYR A 45 1.652 3.321 -6.554 1.00 63.22 C ATOM 698 CD2 TYR A 45 1.899 2.282 -4.425 1.00 61.32 C ATOM 699 CE1 TYR A 45 2.652 4.221 -6.234 1.00 30.14 C ATOM 700 CE2 TYR A 45 2.899 3.178 -4.099 1.00 52.50 C ATOM 701 CZ TYR A 45 3.273 4.142 -5.004 1.00 22.25 C ATOM 702 OH TYR A 45 4.275 5.027 -4.680 1.00 54.33 O ATOM 0 H TYR A 45 -1.452 2.099 -4.261 1.00 73.03 H new ATOM 0 HA TYR A 45 -1.003 2.869 -6.965 1.00 74.40 H new ATOM 0 HB2 TYR A 45 0.036 0.656 -5.177 1.00 13.21 H new ATOM 0 HB3 TYR A 45 0.494 0.756 -6.865 1.00 13.21 H new ATOM 0 HD1 TYR A 45 1.169 3.384 -7.518 1.00 63.22 H new ATOM 0 HD2 TYR A 45 1.610 1.526 -3.710 1.00 61.32 H new ATOM 0 HE1 TYR A 45 2.945 4.981 -6.943 1.00 30.14 H new ATOM 0 HE2 TYR A 45 3.385 3.121 -3.136 1.00 52.50 H new ATOM 0 HH TYR A 45 4.603 4.833 -3.777 1.00 54.33 H new ATOM 712 N ARG A 46 -2.837 0.203 -6.410 1.00 71.52 N ATOM 713 CA ARG A 46 -3.726 -0.735 -7.090 1.00 62.53 C ATOM 714 C ARG A 46 -4.870 0.014 -7.764 1.00 40.21 C ATOM 715 O ARG A 46 -5.451 -0.475 -8.733 1.00 12.22 O ATOM 716 CB ARG A 46 -4.262 -1.821 -6.145 1.00 21.05 C ATOM 717 CG ARG A 46 -5.205 -1.316 -5.067 1.00 44.11 C ATOM 718 CD ARG A 46 -5.762 -2.462 -4.237 1.00 70.05 C ATOM 719 NE ARG A 46 -6.585 -1.993 -3.123 1.00 2.03 N ATOM 720 CZ ARG A 46 -7.223 -2.797 -2.267 1.00 4.21 C ATOM 721 NH1 ARG A 46 -7.191 -4.113 -2.429 1.00 4.55 N ATOM 722 NH2 ARG A 46 -7.921 -2.283 -1.266 1.00 75.23 N ATOM 0 H ARG A 46 -2.878 0.174 -5.391 1.00 71.52 H new ATOM 0 HA ARG A 46 -3.139 -1.245 -7.854 1.00 62.53 H new ATOM 0 HB2 ARG A 46 -4.780 -2.575 -6.737 1.00 21.05 H new ATOM 0 HB3 ARG A 46 -3.417 -2.316 -5.667 1.00 21.05 H new ATOM 0 HG2 ARG A 46 -4.677 -0.617 -4.418 1.00 44.11 H new ATOM 0 HG3 ARG A 46 -6.025 -0.766 -5.528 1.00 44.11 H new ATOM 0 HD2 ARG A 46 -6.357 -3.114 -4.876 1.00 70.05 H new ATOM 0 HD3 ARG A 46 -4.938 -3.061 -3.850 1.00 70.05 H new ATOM 0 HE ARG A 46 -6.678 -0.986 -2.991 1.00 2.03 H new ATOM 0 HH11 ARG A 46 -6.677 -4.518 -3.211 1.00 4.55 H new ATOM 0 HH12 ARG A 46 -7.680 -4.720 -1.771 1.00 4.55 H new ATOM 0 HH21 ARG A 46 -7.973 -1.271 -1.147 1.00 75.23 H new ATOM 0 HH22 ARG A 46 -8.407 -2.899 -0.614 1.00 75.23 H new ATOM 736 N LYS A 47 -5.190 1.203 -7.255 1.00 52.21 N ATOM 737 CA LYS A 47 -6.123 2.086 -7.945 1.00 12.51 C ATOM 738 C LYS A 47 -5.496 2.588 -9.240 1.00 74.33 C ATOM 739 O LYS A 47 -6.151 2.637 -10.282 1.00 52.32 O ATOM 740 CB LYS A 47 -6.513 3.282 -7.074 1.00 53.34 C ATOM 741 CG LYS A 47 -7.287 2.912 -5.821 1.00 62.33 C ATOM 742 CD LYS A 47 -7.819 4.152 -5.118 1.00 74.12 C ATOM 743 CE LYS A 47 -8.845 4.886 -5.971 1.00 52.30 C ATOM 744 NZ LYS A 47 -10.072 4.076 -6.190 1.00 75.12 N ATOM 0 H LYS A 47 -4.821 1.572 -6.378 1.00 52.21 H new ATOM 0 HA LYS A 47 -7.025 1.514 -8.163 1.00 12.51 H new ATOM 0 HB2 LYS A 47 -5.608 3.817 -6.784 1.00 53.34 H new ATOM 0 HB3 LYS A 47 -7.114 3.970 -7.669 1.00 53.34 H new ATOM 0 HG2 LYS A 47 -8.116 2.255 -6.083 1.00 62.33 H new ATOM 0 HG3 LYS A 47 -6.641 2.355 -5.142 1.00 62.33 H new ATOM 0 HD2 LYS A 47 -8.272 3.866 -4.169 1.00 74.12 H new ATOM 0 HD3 LYS A 47 -6.991 4.823 -4.887 1.00 74.12 H new ATOM 0 HE2 LYS A 47 -9.113 5.825 -5.487 1.00 52.30 H new ATOM 0 HE3 LYS A 47 -8.401 5.139 -6.934 1.00 52.30 H new ATOM 0 HZ1 LYS A 47 -10.817 4.678 -6.595 1.00 75.12 H new ATOM 0 HZ2 LYS A 47 -9.861 3.297 -6.846 1.00 75.12 H new ATOM 0 HZ3 LYS A 47 -10.397 3.686 -5.282 1.00 75.12 H new ATOM 758 N LEU A 48 -4.218 2.954 -9.162 1.00 70.23 N ATOM 759 CA LEU A 48 -3.471 3.417 -10.329 1.00 33.32 C ATOM 760 C LEU A 48 -3.334 2.304 -11.360 1.00 22.13 C ATOM 761 O LEU A 48 -3.534 2.519 -12.557 1.00 64.24 O ATOM 762 CB LEU A 48 -2.077 3.907 -9.922 1.00 2.04 C ATOM 763 CG LEU A 48 -2.053 5.086 -8.950 1.00 22.04 C ATOM 764 CD1 LEU A 48 -0.617 5.467 -8.620 1.00 4.44 C ATOM 765 CD2 LEU A 48 -2.801 6.274 -9.537 1.00 33.42 C ATOM 0 H LEU A 48 -3.676 2.938 -8.298 1.00 70.23 H new ATOM 0 HA LEU A 48 -4.026 4.245 -10.770 1.00 33.32 H new ATOM 0 HB2 LEU A 48 -1.536 3.075 -9.471 1.00 2.04 H new ATOM 0 HB3 LEU A 48 -1.533 4.190 -10.823 1.00 2.04 H new ATOM 0 HG LEU A 48 -2.553 4.789 -8.028 1.00 22.04 H new ATOM 0 HD11 LEU A 48 -0.614 6.308 -7.927 1.00 4.44 H new ATOM 0 HD12 LEU A 48 -0.111 4.617 -8.162 1.00 4.44 H new ATOM 0 HD13 LEU A 48 -0.096 5.749 -9.535 1.00 4.44 H new ATOM 0 HD21 LEU A 48 -2.774 7.105 -8.832 1.00 33.42 H new ATOM 0 HD22 LEU A 48 -2.328 6.576 -10.472 1.00 33.42 H new ATOM 0 HD23 LEU A 48 -3.837 5.993 -9.728 1.00 33.42 H new ATOM 777 N GLY A 49 -2.987 1.117 -10.885 1.00 65.32 N ATOM 778 CA GLY A 49 -2.823 -0.018 -11.767 1.00 64.40 C ATOM 779 C GLY A 49 -1.389 -0.498 -11.819 1.00 75.05 C ATOM 780 O GLY A 49 -1.039 -1.343 -12.647 1.00 64.15 O ATOM 0 H GLY A 49 -2.815 0.920 -9.899 1.00 65.32 H new ATOM 0 HA2 GLY A 49 -3.465 -0.832 -11.432 1.00 64.40 H new ATOM 0 HA3 GLY A 49 -3.150 0.253 -12.771 1.00 64.40 H new ATOM 784 N ASP A 50 -0.557 0.033 -10.933 1.00 72.20 N ATOM 785 CA ASP A 50 0.840 -0.369 -10.874 1.00 60.32 C ATOM 786 C ASP A 50 1.009 -1.498 -9.873 1.00 43.22 C ATOM 787 O ASP A 50 0.852 -1.302 -8.667 1.00 53.04 O ATOM 788 CB ASP A 50 1.740 0.804 -10.488 1.00 10.03 C ATOM 789 CG ASP A 50 3.202 0.514 -10.767 1.00 35.41 C ATOM 790 OD1 ASP A 50 3.771 -0.397 -10.127 1.00 14.22 O ATOM 791 OD2 ASP A 50 3.779 1.176 -11.656 1.00 44.15 O ATOM 0 H ASP A 50 -0.825 0.740 -10.248 1.00 72.20 H new ATOM 0 HA ASP A 50 1.136 -0.711 -11.866 1.00 60.32 H new ATOM 0 HB2 ASP A 50 1.435 1.692 -11.041 1.00 10.03 H new ATOM 0 HB3 ASP A 50 1.610 1.027 -9.429 1.00 10.03 H new ATOM 796 N TRP A 51 1.327 -2.677 -10.374 1.00 21.32 N ATOM 797 CA TRP A 51 1.404 -3.855 -9.531 1.00 55.45 C ATOM 798 C TRP A 51 2.756 -3.945 -8.833 1.00 60.23 C ATOM 799 O TRP A 51 2.851 -4.478 -7.731 1.00 3.34 O ATOM 800 CB TRP A 51 1.131 -5.109 -10.359 1.00 33.20 C ATOM 801 CG TRP A 51 -0.155 -5.024 -11.128 1.00 51.14 C ATOM 802 CD1 TRP A 51 -0.313 -5.152 -12.477 1.00 61.10 C ATOM 803 CD2 TRP A 51 -1.463 -4.765 -10.593 1.00 51.41 C ATOM 804 NE1 TRP A 51 -1.637 -4.999 -12.814 1.00 53.21 N ATOM 805 CE2 TRP A 51 -2.362 -4.759 -11.675 1.00 63.14 C ATOM 806 CE3 TRP A 51 -1.962 -4.540 -9.305 1.00 1.30 C ATOM 807 CZ2 TRP A 51 -3.728 -4.541 -11.509 1.00 5.21 C ATOM 808 CZ3 TRP A 51 -3.316 -4.324 -9.141 1.00 24.04 C ATOM 809 CH2 TRP A 51 -4.186 -4.324 -10.238 1.00 71.24 C ATOM 0 H TRP A 51 1.536 -2.844 -11.358 1.00 21.32 H new ATOM 0 HA TRP A 51 0.641 -3.776 -8.756 1.00 55.45 H new ATOM 0 HB2 TRP A 51 1.956 -5.268 -11.054 1.00 33.20 H new ATOM 0 HB3 TRP A 51 1.099 -5.976 -9.699 1.00 33.20 H new ATOM 0 HD1 TRP A 51 0.486 -5.345 -13.178 1.00 61.10 H new ATOM 0 HE1 TRP A 51 -2.018 -5.055 -13.758 1.00 53.21 H new ATOM 0 HE3 TRP A 51 -1.299 -4.535 -8.453 1.00 1.30 H new ATOM 0 HZ2 TRP A 51 -4.401 -4.543 -12.353 1.00 5.21 H new ATOM 0 HZ3 TRP A 51 -3.710 -4.152 -8.150 1.00 24.04 H new ATOM 0 HH2 TRP A 51 -5.240 -4.149 -10.078 1.00 71.24 H new ATOM 820 N GLN A 52 3.791 -3.403 -9.467 1.00 32.34 N ATOM 821 CA GLN A 52 5.121 -3.377 -8.866 1.00 14.23 C ATOM 822 C GLN A 52 5.096 -2.580 -7.571 1.00 22.13 C ATOM 823 O GLN A 52 5.471 -3.081 -6.509 1.00 30.10 O ATOM 824 CB GLN A 52 6.143 -2.758 -9.821 1.00 5.52 C ATOM 825 CG GLN A 52 6.492 -3.630 -11.014 1.00 54.34 C ATOM 826 CD GLN A 52 7.130 -4.947 -10.616 1.00 23.44 C ATOM 827 OE1 GLN A 52 8.346 -5.035 -10.451 1.00 23.34 O ATOM 828 NE2 GLN A 52 6.317 -5.983 -10.474 1.00 52.40 N ATOM 0 H GLN A 52 3.736 -2.978 -10.392 1.00 32.34 H new ATOM 0 HA GLN A 52 5.414 -4.406 -8.658 1.00 14.23 H new ATOM 0 HB2 GLN A 52 5.754 -1.806 -10.183 1.00 5.52 H new ATOM 0 HB3 GLN A 52 7.055 -2.540 -9.266 1.00 5.52 H new ATOM 0 HG2 GLN A 52 5.588 -3.829 -11.589 1.00 54.34 H new ATOM 0 HG3 GLN A 52 7.172 -3.086 -11.669 1.00 54.34 H new ATOM 0 HE21 GLN A 52 5.314 -5.868 -10.620 1.00 52.40 H new ATOM 0 HE22 GLN A 52 6.694 -6.896 -10.219 1.00 52.40 H new ATOM 837 N LYS A 53 4.627 -1.347 -7.664 1.00 42.04 N ATOM 838 CA LYS A 53 4.564 -0.461 -6.513 1.00 14.11 C ATOM 839 C LYS A 53 3.646 -1.024 -5.432 1.00 33.20 C ATOM 840 O LYS A 53 3.945 -0.927 -4.242 1.00 71.24 O ATOM 841 CB LYS A 53 4.087 0.923 -6.943 1.00 14.23 C ATOM 842 CG LYS A 53 5.137 1.731 -7.686 1.00 13.50 C ATOM 843 CD LYS A 53 6.301 2.077 -6.775 1.00 14.52 C ATOM 844 CE LYS A 53 7.281 3.016 -7.454 1.00 52.13 C ATOM 845 NZ LYS A 53 8.374 3.433 -6.537 1.00 44.45 N ATOM 0 H LYS A 53 4.282 -0.934 -8.531 1.00 42.04 H new ATOM 0 HA LYS A 53 5.566 -0.379 -6.093 1.00 14.11 H new ATOM 0 HB2 LYS A 53 3.209 0.813 -7.580 1.00 14.23 H new ATOM 0 HB3 LYS A 53 3.772 1.479 -6.060 1.00 14.23 H new ATOM 0 HG2 LYS A 53 5.498 1.164 -8.544 1.00 13.50 H new ATOM 0 HG3 LYS A 53 4.690 2.646 -8.074 1.00 13.50 H new ATOM 0 HD2 LYS A 53 5.925 2.540 -5.863 1.00 14.52 H new ATOM 0 HD3 LYS A 53 6.817 1.163 -6.479 1.00 14.52 H new ATOM 0 HE2 LYS A 53 7.708 2.525 -8.328 1.00 52.13 H new ATOM 0 HE3 LYS A 53 6.750 3.898 -7.811 1.00 52.13 H new ATOM 0 HZ1 LYS A 53 9.022 4.074 -7.038 1.00 44.45 H new ATOM 0 HZ2 LYS A 53 7.969 3.924 -5.715 1.00 44.45 H new ATOM 0 HZ3 LYS A 53 8.897 2.593 -6.216 1.00 44.45 H new ATOM 859 N ALA A 54 2.538 -1.621 -5.853 1.00 31.11 N ATOM 860 CA ALA A 54 1.583 -2.197 -4.919 1.00 70.01 C ATOM 861 C ALA A 54 2.203 -3.353 -4.141 1.00 61.20 C ATOM 862 O ALA A 54 2.183 -3.362 -2.912 1.00 11.34 O ATOM 863 CB ALA A 54 0.339 -2.663 -5.659 1.00 51.03 C ATOM 0 H ALA A 54 2.280 -1.718 -6.835 1.00 31.11 H new ATOM 0 HA ALA A 54 1.300 -1.424 -4.204 1.00 70.01 H new ATOM 0 HB1 ALA A 54 -0.368 -3.092 -4.949 1.00 51.03 H new ATOM 0 HB2 ALA A 54 -0.123 -1.815 -6.163 1.00 51.03 H new ATOM 0 HB3 ALA A 54 0.615 -3.417 -6.396 1.00 51.03 H new ATOM 869 N LEU A 55 2.784 -4.306 -4.864 1.00 41.22 N ATOM 870 CA LEU A 55 3.350 -5.504 -4.251 1.00 22.10 C ATOM 871 C LEU A 55 4.530 -5.180 -3.342 1.00 13.43 C ATOM 872 O LEU A 55 4.655 -5.755 -2.260 1.00 0.50 O ATOM 873 CB LEU A 55 3.791 -6.496 -5.328 1.00 61.44 C ATOM 874 CG LEU A 55 2.658 -7.120 -6.140 1.00 71.50 C ATOM 875 CD1 LEU A 55 3.216 -7.918 -7.305 1.00 50.43 C ATOM 876 CD2 LEU A 55 1.796 -8.008 -5.255 1.00 71.22 C ATOM 0 H LEU A 55 2.875 -4.272 -5.879 1.00 41.22 H new ATOM 0 HA LEU A 55 2.567 -5.950 -3.638 1.00 22.10 H new ATOM 0 HB2 LEU A 55 4.469 -5.987 -6.012 1.00 61.44 H new ATOM 0 HB3 LEU A 55 4.359 -7.296 -4.852 1.00 61.44 H new ATOM 0 HG LEU A 55 2.036 -6.317 -6.536 1.00 71.50 H new ATOM 0 HD11 LEU A 55 2.395 -8.356 -7.873 1.00 50.43 H new ATOM 0 HD12 LEU A 55 3.795 -7.260 -7.953 1.00 50.43 H new ATOM 0 HD13 LEU A 55 3.859 -8.712 -6.927 1.00 50.43 H new ATOM 0 HD21 LEU A 55 0.993 -8.445 -5.849 1.00 71.22 H new ATOM 0 HD22 LEU A 55 2.409 -8.804 -4.832 1.00 71.22 H new ATOM 0 HD23 LEU A 55 1.368 -7.412 -4.449 1.00 71.22 H new ATOM 888 N ASN A 56 5.387 -4.261 -3.773 1.00 70.04 N ATOM 889 CA ASN A 56 6.584 -3.923 -3.006 1.00 55.12 C ATOM 890 C ASN A 56 6.214 -3.318 -1.664 1.00 24.42 C ATOM 891 O ASN A 56 6.784 -3.677 -0.635 1.00 72.20 O ATOM 892 CB ASN A 56 7.491 -2.957 -3.776 1.00 55.11 C ATOM 893 CG ASN A 56 8.420 -3.672 -4.740 1.00 73.12 C ATOM 894 OD1 ASN A 56 9.509 -4.100 -4.360 1.00 3.33 O ATOM 895 ND2 ASN A 56 8.006 -3.798 -5.993 1.00 53.42 N ATOM 0 H ASN A 56 5.278 -3.739 -4.643 1.00 70.04 H new ATOM 0 HA ASN A 56 7.132 -4.851 -2.840 1.00 55.12 H new ATOM 0 HB2 ASN A 56 6.874 -2.249 -4.329 1.00 55.11 H new ATOM 0 HB3 ASN A 56 8.084 -2.378 -3.068 1.00 55.11 H new ATOM 0 HD21 ASN A 56 8.598 -4.264 -6.681 1.00 53.42 H new ATOM 0 HD22 ASN A 56 7.096 -3.429 -6.269 1.00 53.42 H new ATOM 902 N ASN A 57 5.240 -2.422 -1.677 1.00 2.52 N ATOM 903 CA ASN A 57 4.805 -1.753 -0.461 1.00 42.31 C ATOM 904 C ASN A 57 3.974 -2.682 0.409 1.00 10.42 C ATOM 905 O ASN A 57 4.047 -2.620 1.636 1.00 43.23 O ATOM 906 CB ASN A 57 4.032 -0.487 -0.808 1.00 72.32 C ATOM 907 CG ASN A 57 4.958 0.623 -1.259 1.00 41.34 C ATOM 908 OD1 ASN A 57 6.033 0.820 -0.694 1.00 34.45 O ATOM 909 ND2 ASN A 57 4.574 1.321 -2.311 1.00 32.44 N ATOM 0 H ASN A 57 4.735 -2.141 -2.517 1.00 2.52 H new ATOM 0 HA ASN A 57 5.688 -1.472 0.114 1.00 42.31 H new ATOM 0 HB2 ASN A 57 3.312 -0.704 -1.597 1.00 72.32 H new ATOM 0 HB3 ASN A 57 3.463 -0.157 0.061 1.00 72.32 H new ATOM 0 HD21 ASN A 57 5.177 2.055 -2.684 1.00 32.44 H new ATOM 0 HD22 ASN A 57 3.675 1.127 -2.751 1.00 32.44 H new ATOM 916 N TYR A 58 3.189 -3.551 -0.221 1.00 51.20 N ATOM 917 CA TYR A 58 2.464 -4.578 0.518 1.00 42.43 C ATOM 918 C TYR A 58 3.445 -5.472 1.267 1.00 31.53 C ATOM 919 O TYR A 58 3.232 -5.802 2.429 1.00 44.41 O ATOM 920 CB TYR A 58 1.589 -5.430 -0.409 1.00 21.52 C ATOM 921 CG TYR A 58 0.271 -4.784 -0.790 1.00 14.11 C ATOM 922 CD1 TYR A 58 -0.302 -3.803 0.011 1.00 32.12 C ATOM 923 CD2 TYR A 58 -0.408 -5.172 -1.939 1.00 32.14 C ATOM 924 CE1 TYR A 58 -1.513 -3.228 -0.322 1.00 74.04 C ATOM 925 CE2 TYR A 58 -1.620 -4.599 -2.281 1.00 3.14 C ATOM 926 CZ TYR A 58 -2.167 -3.627 -1.470 1.00 73.03 C ATOM 927 OH TYR A 58 -3.375 -3.058 -1.798 1.00 23.50 O ATOM 0 H TYR A 58 3.040 -3.565 -1.230 1.00 51.20 H new ATOM 0 HA TYR A 58 1.809 -4.075 1.230 1.00 42.43 H new ATOM 0 HB2 TYR A 58 2.149 -5.649 -1.318 1.00 21.52 H new ATOM 0 HB3 TYR A 58 1.386 -6.384 0.078 1.00 21.52 H new ATOM 0 HD1 TYR A 58 0.208 -3.485 0.908 1.00 32.12 H new ATOM 0 HD2 TYR A 58 0.018 -5.934 -2.576 1.00 32.14 H new ATOM 0 HE1 TYR A 58 -1.946 -2.470 0.313 1.00 74.04 H new ATOM 0 HE2 TYR A 58 -2.135 -4.911 -3.178 1.00 3.14 H new ATOM 0 HH TYR A 58 -3.509 -2.246 -1.266 1.00 23.50 H new ATOM 937 N GLN A 59 4.532 -5.839 0.593 1.00 73.41 N ATOM 938 CA GLN A 59 5.567 -6.674 1.190 1.00 3.24 C ATOM 939 C GLN A 59 6.203 -5.956 2.376 1.00 40.44 C ATOM 940 O GLN A 59 6.455 -6.563 3.417 1.00 13.32 O ATOM 941 CB GLN A 59 6.629 -7.019 0.143 1.00 45.41 C ATOM 942 CG GLN A 59 7.076 -8.476 0.157 1.00 63.12 C ATOM 943 CD GLN A 59 7.802 -8.876 1.429 1.00 4.12 C ATOM 944 OE1 GLN A 59 9.022 -8.744 1.527 1.00 3.14 O ATOM 945 NE2 GLN A 59 7.064 -9.384 2.403 1.00 53.42 N ATOM 0 H GLN A 59 4.718 -5.568 -0.373 1.00 73.41 H new ATOM 0 HA GLN A 59 5.114 -7.599 1.547 1.00 3.24 H new ATOM 0 HB2 GLN A 59 6.238 -6.781 -0.846 1.00 45.41 H new ATOM 0 HB3 GLN A 59 7.500 -6.383 0.303 1.00 45.41 H new ATOM 0 HG2 GLN A 59 6.203 -9.116 0.030 1.00 63.12 H new ATOM 0 HG3 GLN A 59 7.730 -8.655 -0.696 1.00 63.12 H new ATOM 0 HE21 GLN A 59 6.055 -9.477 2.283 1.00 53.42 H new ATOM 0 HE22 GLN A 59 7.504 -9.682 3.274 1.00 53.42 H new ATOM 954 N SER A 60 6.435 -4.657 2.218 1.00 4.54 N ATOM 955 CA SER A 60 7.000 -3.840 3.284 1.00 44.40 C ATOM 956 C SER A 60 6.111 -3.882 4.526 1.00 63.45 C ATOM 957 O SER A 60 6.601 -3.992 5.651 1.00 61.11 O ATOM 958 CB SER A 60 7.176 -2.398 2.800 1.00 33.31 C ATOM 959 OG SER A 60 8.004 -2.350 1.650 1.00 14.33 O ATOM 0 H SER A 60 6.239 -4.146 1.357 1.00 4.54 H new ATOM 0 HA SER A 60 7.976 -4.244 3.552 1.00 44.40 H new ATOM 0 HB2 SER A 60 6.202 -1.965 2.571 1.00 33.31 H new ATOM 0 HB3 SER A 60 7.614 -1.794 3.595 1.00 33.31 H new ATOM 0 HG SER A 60 7.545 -2.780 0.898 1.00 14.33 H new ATOM 965 N ALA A 61 4.801 -3.813 4.316 1.00 72.13 N ATOM 966 CA ALA A 61 3.850 -3.894 5.414 1.00 22.14 C ATOM 967 C ALA A 61 3.856 -5.282 6.050 1.00 31.30 C ATOM 968 O ALA A 61 3.686 -5.415 7.258 1.00 73.13 O ATOM 969 CB ALA A 61 2.453 -3.531 4.934 1.00 52.51 C ATOM 0 H ALA A 61 4.376 -3.701 3.396 1.00 72.13 H new ATOM 0 HA ALA A 61 4.154 -3.177 6.176 1.00 22.14 H new ATOM 0 HB1 ALA A 61 1.753 -3.597 5.767 1.00 52.51 H new ATOM 0 HB2 ALA A 61 2.456 -2.514 4.542 1.00 52.51 H new ATOM 0 HB3 ALA A 61 2.147 -4.222 4.148 1.00 52.51 H new ATOM 975 N ILE A 62 4.076 -6.307 5.237 1.00 34.10 N ATOM 976 CA ILE A 62 4.054 -7.686 5.716 1.00 63.15 C ATOM 977 C ILE A 62 5.290 -8.010 6.559 1.00 14.30 C ATOM 978 O ILE A 62 5.208 -8.751 7.539 1.00 41.42 O ATOM 979 CB ILE A 62 3.953 -8.684 4.541 1.00 71.34 C ATOM 980 CG1 ILE A 62 2.670 -8.434 3.746 1.00 4.11 C ATOM 981 CG2 ILE A 62 3.983 -10.117 5.049 1.00 61.01 C ATOM 982 CD1 ILE A 62 2.524 -9.316 2.525 1.00 64.35 C ATOM 0 H ILE A 62 4.272 -6.211 4.241 1.00 34.10 H new ATOM 0 HA ILE A 62 3.169 -7.788 6.345 1.00 63.15 H new ATOM 0 HB ILE A 62 4.811 -8.533 3.886 1.00 71.34 H new ATOM 0 HG12 ILE A 62 1.812 -8.591 4.400 1.00 4.11 H new ATOM 0 HG13 ILE A 62 2.646 -7.390 3.433 1.00 4.11 H new ATOM 0 HG21 ILE A 62 3.911 -10.804 4.206 1.00 61.01 H new ATOM 0 HG22 ILE A 62 4.917 -10.294 5.582 1.00 61.01 H new ATOM 0 HG23 ILE A 62 3.143 -10.281 5.724 1.00 61.01 H new ATOM 0 HD11 ILE A 62 1.590 -9.079 2.015 1.00 64.35 H new ATOM 0 HD12 ILE A 62 3.361 -9.143 1.849 1.00 64.35 H new ATOM 0 HD13 ILE A 62 2.515 -10.362 2.831 1.00 64.35 H new ATOM 994 N GLU A 63 6.435 -7.456 6.179 1.00 61.44 N ATOM 995 CA GLU A 63 7.667 -7.680 6.933 1.00 32.44 C ATOM 996 C GLU A 63 7.569 -7.064 8.325 1.00 61.13 C ATOM 997 O GLU A 63 8.121 -7.590 9.295 1.00 52.25 O ATOM 998 CB GLU A 63 8.877 -7.109 6.193 1.00 72.51 C ATOM 999 CG GLU A 63 9.167 -7.800 4.872 1.00 2.41 C ATOM 1000 CD GLU A 63 10.427 -7.280 4.215 1.00 4.31 C ATOM 1001 OE1 GLU A 63 10.392 -6.169 3.649 1.00 61.11 O ATOM 1002 OE2 GLU A 63 11.466 -7.977 4.277 1.00 53.34 O ATOM 0 H GLU A 63 6.539 -6.854 5.362 1.00 61.44 H new ATOM 0 HA GLU A 63 7.801 -8.757 7.034 1.00 32.44 H new ATOM 0 HB2 GLU A 63 8.711 -6.048 6.009 1.00 72.51 H new ATOM 0 HB3 GLU A 63 9.755 -7.188 6.835 1.00 72.51 H new ATOM 0 HG2 GLU A 63 9.264 -8.873 5.039 1.00 2.41 H new ATOM 0 HG3 GLU A 63 8.323 -7.657 4.197 1.00 2.41 H new ATOM 1009 N LEU A 64 6.852 -5.956 8.417 1.00 1.13 N ATOM 1010 CA LEU A 64 6.678 -5.258 9.681 1.00 21.34 C ATOM 1011 C LEU A 64 5.504 -5.838 10.465 1.00 33.04 C ATOM 1012 O LEU A 64 5.562 -5.962 11.689 1.00 73.11 O ATOM 1013 CB LEU A 64 6.463 -3.770 9.419 1.00 51.41 C ATOM 1014 CG LEU A 64 7.611 -3.086 8.674 1.00 3.20 C ATOM 1015 CD1 LEU A 64 7.213 -1.687 8.246 1.00 25.31 C ATOM 1016 CD2 LEU A 64 8.855 -3.037 9.545 1.00 23.14 C ATOM 0 H LEU A 64 6.378 -5.518 7.627 1.00 1.13 H new ATOM 0 HA LEU A 64 7.578 -5.389 10.281 1.00 21.34 H new ATOM 0 HB2 LEU A 64 5.546 -3.644 8.843 1.00 51.41 H new ATOM 0 HB3 LEU A 64 6.312 -3.264 10.373 1.00 51.41 H new ATOM 0 HG LEU A 64 7.834 -3.669 7.781 1.00 3.20 H new ATOM 0 HD11 LEU A 64 8.043 -1.218 7.718 1.00 25.31 H new ATOM 0 HD12 LEU A 64 6.347 -1.741 7.586 1.00 25.31 H new ATOM 0 HD13 LEU A 64 6.962 -1.095 9.126 1.00 25.31 H new ATOM 0 HD21 LEU A 64 9.662 -2.547 9.000 1.00 23.14 H new ATOM 0 HD22 LEU A 64 8.640 -2.477 10.455 1.00 23.14 H new ATOM 0 HD23 LEU A 64 9.157 -4.051 9.806 1.00 23.14 H new ATOM 1028 N ASN A 65 4.449 -6.204 9.754 1.00 5.12 N ATOM 1029 CA ASN A 65 3.268 -6.781 10.381 1.00 1.15 C ATOM 1030 C ASN A 65 2.884 -8.084 9.683 1.00 10.04 C ATOM 1031 O ASN A 65 2.324 -8.071 8.585 1.00 41.00 O ATOM 1032 CB ASN A 65 2.100 -5.789 10.326 1.00 15.14 C ATOM 1033 CG ASN A 65 0.930 -6.200 11.205 1.00 21.33 C ATOM 1034 OD1 ASN A 65 0.734 -7.380 11.501 1.00 42.31 O ATOM 1035 ND2 ASN A 65 0.128 -5.231 11.608 1.00 2.03 N ATOM 0 H ASN A 65 4.386 -6.112 8.740 1.00 5.12 H new ATOM 0 HA ASN A 65 3.497 -6.996 11.425 1.00 1.15 H new ATOM 0 HB2 ASN A 65 2.452 -4.805 10.635 1.00 15.14 H new ATOM 0 HB3 ASN A 65 1.758 -5.696 9.295 1.00 15.14 H new ATOM 0 HD21 ASN A 65 -0.685 -5.448 12.184 1.00 2.03 H new ATOM 0 HD22 ASN A 65 0.322 -4.265 11.343 1.00 2.03 H new ATOM 1042 N PRO A 66 3.172 -9.230 10.319 1.00 14.34 N ATOM 1043 CA PRO A 66 2.888 -10.552 9.751 1.00 22.13 C ATOM 1044 C PRO A 66 1.416 -10.943 9.887 1.00 54.52 C ATOM 1045 O PRO A 66 1.028 -12.080 9.606 1.00 3.34 O ATOM 1046 CB PRO A 66 3.768 -11.478 10.589 1.00 11.42 C ATOM 1047 CG PRO A 66 3.856 -10.809 11.917 1.00 62.14 C ATOM 1048 CD PRO A 66 3.805 -9.327 11.650 1.00 5.21 C ATOM 0 HA PRO A 66 3.090 -10.593 8.681 1.00 22.13 H new ATOM 0 HB2 PRO A 66 3.330 -12.472 10.674 1.00 11.42 H new ATOM 0 HB3 PRO A 66 4.754 -11.601 10.141 1.00 11.42 H new ATOM 0 HG2 PRO A 66 3.033 -11.116 12.562 1.00 62.14 H new ATOM 0 HG3 PRO A 66 4.780 -11.080 12.428 1.00 62.14 H new ATOM 0 HD2 PRO A 66 3.223 -8.804 12.409 1.00 5.21 H new ATOM 0 HD3 PRO A 66 4.802 -8.886 11.652 1.00 5.21 H new ATOM 1056 N ASP A 67 0.606 -9.994 10.335 1.00 61.51 N ATOM 1057 CA ASP A 67 -0.825 -10.203 10.492 1.00 64.13 C ATOM 1058 C ASP A 67 -1.578 -9.054 9.825 1.00 41.04 C ATOM 1059 O ASP A 67 -2.773 -8.841 10.045 1.00 14.31 O ATOM 1060 CB ASP A 67 -1.168 -10.288 11.983 1.00 21.34 C ATOM 1061 CG ASP A 67 -2.588 -10.741 12.238 1.00 43.52 C ATOM 1062 OD1 ASP A 67 -2.911 -11.905 11.912 1.00 34.02 O ATOM 1063 OD2 ASP A 67 -3.378 -9.945 12.788 1.00 52.04 O ATOM 0 H ASP A 67 0.922 -9.061 10.599 1.00 61.51 H new ATOM 0 HA ASP A 67 -1.122 -11.138 10.016 1.00 64.13 H new ATOM 0 HB2 ASP A 67 -0.479 -10.979 12.470 1.00 21.34 H new ATOM 0 HB3 ASP A 67 -1.016 -9.311 12.441 1.00 21.34 H new ATOM 1068 N SER A 68 -0.852 -8.322 8.996 1.00 54.42 N ATOM 1069 CA SER A 68 -1.387 -7.168 8.291 1.00 5.10 C ATOM 1070 C SER A 68 -2.365 -7.599 7.198 1.00 51.22 C ATOM 1071 O SER A 68 -2.210 -8.668 6.604 1.00 64.20 O ATOM 1072 CB SER A 68 -0.228 -6.371 7.677 1.00 3.13 C ATOM 1073 OG SER A 68 -0.689 -5.276 6.902 1.00 63.43 O ATOM 0 H SER A 68 0.129 -8.512 8.792 1.00 54.42 H new ATOM 0 HA SER A 68 -1.930 -6.543 9.000 1.00 5.10 H new ATOM 0 HB2 SER A 68 0.422 -6.005 8.472 1.00 3.13 H new ATOM 0 HB3 SER A 68 0.374 -7.030 7.052 1.00 3.13 H new ATOM 0 HG SER A 68 0.078 -4.793 6.530 1.00 63.43 H new ATOM 1079 N PRO A 69 -3.388 -6.771 6.917 1.00 61.14 N ATOM 1080 CA PRO A 69 -4.307 -7.003 5.797 1.00 71.05 C ATOM 1081 C PRO A 69 -3.567 -7.020 4.460 1.00 22.31 C ATOM 1082 O PRO A 69 -4.089 -7.489 3.446 1.00 4.25 O ATOM 1083 CB PRO A 69 -5.277 -5.815 5.863 1.00 2.10 C ATOM 1084 CG PRO A 69 -4.589 -4.792 6.701 1.00 63.31 C ATOM 1085 CD PRO A 69 -3.747 -5.561 7.677 1.00 4.24 C ATOM 0 HA PRO A 69 -4.809 -7.968 5.869 1.00 71.05 H new ATOM 0 HB2 PRO A 69 -5.493 -5.428 4.867 1.00 2.10 H new ATOM 0 HB3 PRO A 69 -6.230 -6.109 6.304 1.00 2.10 H new ATOM 0 HG2 PRO A 69 -3.974 -4.134 6.088 1.00 63.31 H new ATOM 0 HG3 PRO A 69 -5.311 -4.161 7.220 1.00 63.31 H new ATOM 0 HD2 PRO A 69 -2.865 -4.998 7.981 1.00 4.24 H new ATOM 0 HD3 PRO A 69 -4.299 -5.803 8.585 1.00 4.24 H new ATOM 1093 N ALA A 70 -2.334 -6.521 4.476 1.00 32.10 N ATOM 1094 CA ALA A 70 -1.494 -6.499 3.289 1.00 4.22 C ATOM 1095 C ALA A 70 -1.186 -7.911 2.806 1.00 41.52 C ATOM 1096 O ALA A 70 -0.842 -8.111 1.645 1.00 31.44 O ATOM 1097 CB ALA A 70 -0.207 -5.741 3.567 1.00 61.22 C ATOM 0 H ALA A 70 -1.895 -6.124 5.307 1.00 32.10 H new ATOM 0 HA ALA A 70 -2.041 -5.986 2.498 1.00 4.22 H new ATOM 0 HB1 ALA A 70 0.412 -5.733 2.670 1.00 61.22 H new ATOM 0 HB2 ALA A 70 -0.443 -4.716 3.854 1.00 61.22 H new ATOM 0 HB3 ALA A 70 0.335 -6.229 4.377 1.00 61.22 H new ATOM 1103 N LEU A 71 -1.316 -8.890 3.698 1.00 42.25 N ATOM 1104 CA LEU A 71 -1.145 -10.288 3.324 1.00 72.10 C ATOM 1105 C LEU A 71 -2.191 -10.684 2.293 1.00 14.55 C ATOM 1106 O LEU A 71 -1.869 -11.240 1.237 1.00 25.22 O ATOM 1107 CB LEU A 71 -1.268 -11.210 4.540 1.00 42.40 C ATOM 1108 CG LEU A 71 0.018 -11.446 5.339 1.00 14.22 C ATOM 1109 CD1 LEU A 71 0.465 -10.178 6.045 1.00 44.44 C ATOM 1110 CD2 LEU A 71 -0.181 -12.575 6.342 1.00 51.35 C ATOM 0 H LEU A 71 -1.539 -8.740 4.682 1.00 42.25 H new ATOM 0 HA LEU A 71 -0.146 -10.397 2.903 1.00 72.10 H new ATOM 0 HB2 LEU A 71 -2.018 -10.793 5.212 1.00 42.40 H new ATOM 0 HB3 LEU A 71 -1.644 -12.176 4.202 1.00 42.40 H new ATOM 0 HG LEU A 71 0.803 -11.734 4.640 1.00 14.22 H new ATOM 0 HD11 LEU A 71 1.380 -10.376 6.604 1.00 44.44 H new ATOM 0 HD12 LEU A 71 0.652 -9.398 5.307 1.00 44.44 H new ATOM 0 HD13 LEU A 71 -0.315 -9.849 6.731 1.00 44.44 H new ATOM 0 HD21 LEU A 71 0.741 -12.731 6.902 1.00 51.35 H new ATOM 0 HD22 LEU A 71 -0.984 -12.312 7.031 1.00 51.35 H new ATOM 0 HD23 LEU A 71 -0.443 -13.491 5.812 1.00 51.35 H new ATOM 1122 N GLN A 72 -3.444 -10.374 2.605 1.00 50.51 N ATOM 1123 CA GLN A 72 -4.556 -10.686 1.721 1.00 53.22 C ATOM 1124 C GLN A 72 -4.473 -9.832 0.464 1.00 42.13 C ATOM 1125 O GLN A 72 -4.729 -10.301 -0.643 1.00 62.35 O ATOM 1126 CB GLN A 72 -5.891 -10.427 2.426 1.00 60.00 C ATOM 1127 CG GLN A 72 -6.057 -11.166 3.746 1.00 73.31 C ATOM 1128 CD GLN A 72 -5.979 -12.673 3.598 1.00 33.54 C ATOM 1129 OE1 GLN A 72 -6.982 -13.337 3.340 1.00 51.21 O ATOM 1130 NE2 GLN A 72 -4.790 -13.226 3.781 1.00 74.03 N ATOM 0 H GLN A 72 -3.714 -9.904 3.469 1.00 50.51 H new ATOM 0 HA GLN A 72 -4.497 -11.740 1.451 1.00 53.22 H new ATOM 0 HB2 GLN A 72 -5.991 -9.357 2.607 1.00 60.00 H new ATOM 0 HB3 GLN A 72 -6.703 -10.714 1.758 1.00 60.00 H new ATOM 0 HG2 GLN A 72 -5.285 -10.835 4.441 1.00 73.31 H new ATOM 0 HG3 GLN A 72 -7.018 -10.899 4.186 1.00 73.31 H new ATOM 0 HE21 GLN A 72 -3.982 -12.640 3.993 1.00 74.03 H new ATOM 0 HE22 GLN A 72 -4.682 -14.238 3.710 1.00 74.03 H new ATOM 1139 N ALA A 73 -4.088 -8.580 0.655 1.00 75.13 N ATOM 1140 CA ALA A 73 -4.004 -7.624 -0.439 1.00 60.33 C ATOM 1141 C ALA A 73 -2.906 -8.004 -1.429 1.00 22.41 C ATOM 1142 O ALA A 73 -3.085 -7.882 -2.641 1.00 52.54 O ATOM 1143 CB ALA A 73 -3.772 -6.227 0.109 1.00 73.10 C ATOM 0 H ALA A 73 -3.827 -8.200 1.565 1.00 75.13 H new ATOM 0 HA ALA A 73 -4.951 -7.640 -0.979 1.00 60.33 H new ATOM 0 HB1 ALA A 73 -3.710 -5.518 -0.717 1.00 73.10 H new ATOM 0 HB2 ALA A 73 -4.599 -5.951 0.764 1.00 73.10 H new ATOM 0 HB3 ALA A 73 -2.840 -6.208 0.674 1.00 73.10 H new ATOM 1149 N ARG A 74 -1.773 -8.465 -0.910 1.00 74.23 N ATOM 1150 CA ARG A 74 -0.664 -8.901 -1.756 1.00 44.14 C ATOM 1151 C ARG A 74 -1.087 -10.076 -2.626 1.00 62.34 C ATOM 1152 O ARG A 74 -0.840 -10.090 -3.832 1.00 12.25 O ATOM 1153 CB ARG A 74 0.544 -9.306 -0.904 1.00 12.41 C ATOM 1154 CG ARG A 74 1.718 -9.828 -1.723 1.00 24.04 C ATOM 1155 CD ARG A 74 2.793 -10.441 -0.840 1.00 75.55 C ATOM 1156 NE ARG A 74 2.268 -11.547 -0.037 1.00 70.12 N ATOM 1157 CZ ARG A 74 2.999 -12.578 0.392 1.00 71.25 C ATOM 1158 NH1 ARG A 74 4.286 -12.664 0.079 1.00 55.34 N ATOM 1159 NH2 ARG A 74 2.434 -13.526 1.129 1.00 60.25 N ATOM 0 H ARG A 74 -1.597 -8.547 0.091 1.00 74.23 H new ATOM 0 HA ARG A 74 -0.382 -8.064 -2.395 1.00 44.14 H new ATOM 0 HB2 ARG A 74 0.872 -8.446 -0.321 1.00 12.41 H new ATOM 0 HB3 ARG A 74 0.237 -10.074 -0.194 1.00 12.41 H new ATOM 0 HG2 ARG A 74 1.362 -10.574 -2.434 1.00 24.04 H new ATOM 0 HG3 ARG A 74 2.147 -9.012 -2.305 1.00 24.04 H new ATOM 0 HD2 ARG A 74 3.614 -10.800 -1.461 1.00 75.55 H new ATOM 0 HD3 ARG A 74 3.203 -9.676 -0.181 1.00 75.55 H new ATOM 0 HE ARG A 74 1.279 -11.528 0.211 1.00 70.12 H new ATOM 0 HH11 ARG A 74 4.721 -11.940 -0.492 1.00 55.34 H new ATOM 0 HH12 ARG A 74 4.840 -13.454 0.410 1.00 55.34 H new ATOM 0 HH21 ARG A 74 1.444 -13.465 1.366 1.00 60.25 H new ATOM 0 HH22 ARG A 74 2.990 -14.315 1.458 1.00 60.25 H new ATOM 1173 N LYS A 75 -1.733 -11.059 -2.009 1.00 31.01 N ATOM 1174 CA LYS A 75 -2.179 -12.241 -2.729 1.00 52.31 C ATOM 1175 C LYS A 75 -3.290 -11.894 -3.707 1.00 23.02 C ATOM 1176 O LYS A 75 -3.411 -12.517 -4.758 1.00 32.43 O ATOM 1177 CB LYS A 75 -2.625 -13.342 -1.766 1.00 24.23 C ATOM 1178 CG LYS A 75 -1.482 -13.909 -0.939 1.00 74.13 C ATOM 1179 CD LYS A 75 -1.873 -15.206 -0.252 1.00 54.12 C ATOM 1180 CE LYS A 75 -2.960 -14.996 0.790 1.00 51.41 C ATOM 1181 NZ LYS A 75 -3.435 -16.287 1.349 1.00 53.30 N ATOM 0 H LYS A 75 -1.958 -11.059 -1.014 1.00 31.01 H new ATOM 0 HA LYS A 75 -1.331 -12.621 -3.299 1.00 52.31 H new ATOM 0 HB2 LYS A 75 -3.388 -12.944 -1.097 1.00 24.23 H new ATOM 0 HB3 LYS A 75 -3.089 -14.148 -2.335 1.00 24.23 H new ATOM 0 HG2 LYS A 75 -0.620 -14.084 -1.582 1.00 74.13 H new ATOM 0 HG3 LYS A 75 -1.178 -13.178 -0.190 1.00 74.13 H new ATOM 0 HD2 LYS A 75 -2.220 -15.921 -0.998 1.00 54.12 H new ATOM 0 HD3 LYS A 75 -0.995 -15.643 0.224 1.00 54.12 H new ATOM 0 HE2 LYS A 75 -2.577 -14.369 1.595 1.00 51.41 H new ATOM 0 HE3 LYS A 75 -3.798 -14.463 0.341 1.00 51.41 H new ATOM 0 HZ1 LYS A 75 -4.176 -16.107 2.056 1.00 53.30 H new ATOM 0 HZ2 LYS A 75 -3.822 -16.875 0.584 1.00 53.30 H new ATOM 0 HZ3 LYS A 75 -2.640 -16.784 1.799 1.00 53.30 H new ATOM 1195 N MET A 76 -4.097 -10.899 -3.357 1.00 53.11 N ATOM 1196 CA MET A 76 -5.117 -10.382 -4.262 1.00 75.52 C ATOM 1197 C MET A 76 -4.490 -9.984 -5.595 1.00 33.10 C ATOM 1198 O MET A 76 -4.996 -10.332 -6.663 1.00 41.21 O ATOM 1199 CB MET A 76 -5.809 -9.166 -3.650 1.00 0.03 C ATOM 1200 CG MET A 76 -6.899 -8.577 -4.535 1.00 64.34 C ATOM 1201 SD MET A 76 -7.081 -6.794 -4.331 1.00 73.13 S ATOM 1202 CE MET A 76 -5.567 -6.227 -5.104 1.00 63.01 C ATOM 0 H MET A 76 -4.064 -10.433 -2.450 1.00 53.11 H new ATOM 0 HA MET A 76 -5.853 -11.169 -4.427 1.00 75.52 H new ATOM 0 HB2 MET A 76 -6.244 -9.450 -2.692 1.00 0.03 H new ATOM 0 HB3 MET A 76 -5.063 -8.398 -3.446 1.00 0.03 H new ATOM 0 HG2 MET A 76 -6.672 -8.797 -5.578 1.00 64.34 H new ATOM 0 HG3 MET A 76 -7.848 -9.063 -4.306 1.00 64.34 H new ATOM 0 HE1 MET A 76 -4.957 -5.703 -4.368 1.00 63.01 H new ATOM 0 HE2 MET A 76 -5.014 -7.083 -5.491 1.00 63.01 H new ATOM 0 HE3 MET A 76 -5.808 -5.550 -5.923 1.00 63.01 H new ATOM 1212 N VAL A 77 -3.381 -9.256 -5.520 1.00 71.04 N ATOM 1213 CA VAL A 77 -2.661 -8.843 -6.715 1.00 1.42 C ATOM 1214 C VAL A 77 -2.091 -10.063 -7.429 1.00 72.22 C ATOM 1215 O VAL A 77 -2.137 -10.152 -8.653 1.00 12.01 O ATOM 1216 CB VAL A 77 -1.515 -7.860 -6.387 1.00 73.22 C ATOM 1217 CG1 VAL A 77 -0.837 -7.381 -7.661 1.00 52.35 C ATOM 1218 CG2 VAL A 77 -2.031 -6.678 -5.580 1.00 31.40 C ATOM 0 H VAL A 77 -2.963 -8.941 -4.645 1.00 71.04 H new ATOM 0 HA VAL A 77 -3.372 -8.330 -7.362 1.00 1.42 H new ATOM 0 HB VAL A 77 -0.778 -8.389 -5.783 1.00 73.22 H new ATOM 0 HG11 VAL A 77 -0.033 -6.690 -7.408 1.00 52.35 H new ATOM 0 HG12 VAL A 77 -0.425 -8.236 -8.197 1.00 52.35 H new ATOM 0 HG13 VAL A 77 -1.566 -6.874 -8.293 1.00 52.35 H new ATOM 0 HG21 VAL A 77 -1.207 -5.999 -5.361 1.00 31.40 H new ATOM 0 HG22 VAL A 77 -2.793 -6.150 -6.154 1.00 31.40 H new ATOM 0 HG23 VAL A 77 -2.464 -7.036 -4.646 1.00 31.40 H new ATOM 1228 N MET A 78 -1.583 -11.010 -6.648 1.00 5.51 N ATOM 1229 CA MET A 78 -1.037 -12.251 -7.192 1.00 34.22 C ATOM 1230 C MET A 78 -2.101 -13.005 -7.984 1.00 54.54 C ATOM 1231 O MET A 78 -1.824 -13.535 -9.059 1.00 22.14 O ATOM 1232 CB MET A 78 -0.495 -13.140 -6.070 1.00 43.42 C ATOM 1233 CG MET A 78 0.686 -12.538 -5.330 1.00 31.55 C ATOM 1234 SD MET A 78 2.128 -12.312 -6.391 1.00 45.20 S ATOM 1235 CE MET A 78 3.284 -11.578 -5.237 1.00 50.02 C ATOM 0 H MET A 78 -1.537 -10.942 -5.631 1.00 5.51 H new ATOM 0 HA MET A 78 -0.217 -11.993 -7.862 1.00 34.22 H new ATOM 0 HB2 MET A 78 -1.296 -13.339 -5.358 1.00 43.42 H new ATOM 0 HB3 MET A 78 -0.197 -14.100 -6.491 1.00 43.42 H new ATOM 0 HG2 MET A 78 0.394 -11.575 -4.910 1.00 31.55 H new ATOM 0 HG3 MET A 78 0.953 -13.183 -4.493 1.00 31.55 H new ATOM 0 HE1 MET A 78 3.906 -10.851 -5.758 1.00 50.02 H new ATOM 0 HE2 MET A 78 2.734 -11.079 -4.439 1.00 50.02 H new ATOM 0 HE3 MET A 78 3.916 -12.357 -4.810 1.00 50.02 H new ATOM 1245 N ASP A 79 -3.317 -13.042 -7.447 1.00 42.33 N ATOM 1246 CA ASP A 79 -4.445 -13.665 -8.136 1.00 61.34 C ATOM 1247 C ASP A 79 -4.702 -12.972 -9.465 1.00 13.40 C ATOM 1248 O ASP A 79 -4.845 -13.624 -10.498 1.00 71.25 O ATOM 1249 CB ASP A 79 -5.720 -13.611 -7.287 1.00 31.21 C ATOM 1250 CG ASP A 79 -5.709 -14.569 -6.113 1.00 55.11 C ATOM 1251 OD1 ASP A 79 -5.567 -15.792 -6.337 1.00 62.30 O ATOM 1252 OD2 ASP A 79 -5.857 -14.109 -4.960 1.00 31.30 O ATOM 0 H ASP A 79 -3.548 -12.647 -6.535 1.00 42.33 H new ATOM 0 HA ASP A 79 -4.184 -14.709 -8.308 1.00 61.34 H new ATOM 0 HB2 ASP A 79 -5.856 -12.595 -6.915 1.00 31.21 H new ATOM 0 HB3 ASP A 79 -6.578 -13.836 -7.921 1.00 31.21 H new ATOM 1257 N ILE A 80 -4.757 -11.645 -9.424 1.00 74.14 N ATOM 1258 CA ILE A 80 -4.960 -10.843 -10.624 1.00 10.24 C ATOM 1259 C ILE A 80 -3.855 -11.114 -11.640 1.00 40.30 C ATOM 1260 O ILE A 80 -4.120 -11.323 -12.821 1.00 1.42 O ATOM 1261 CB ILE A 80 -4.997 -9.335 -10.286 1.00 44.41 C ATOM 1262 CG1 ILE A 80 -6.189 -9.027 -9.377 1.00 1.21 C ATOM 1263 CG2 ILE A 80 -5.065 -8.499 -11.557 1.00 35.24 C ATOM 1264 CD1 ILE A 80 -6.249 -7.589 -8.913 1.00 14.34 C ATOM 0 H ILE A 80 -4.663 -11.100 -8.567 1.00 74.14 H new ATOM 0 HA ILE A 80 -5.921 -11.126 -11.054 1.00 10.24 H new ATOM 0 HB ILE A 80 -4.079 -9.076 -9.759 1.00 44.41 H new ATOM 0 HG12 ILE A 80 -7.110 -9.266 -9.908 1.00 1.21 H new ATOM 0 HG13 ILE A 80 -6.146 -9.679 -8.504 1.00 1.21 H new ATOM 0 HG21 ILE A 80 -5.090 -7.441 -11.296 1.00 35.24 H new ATOM 0 HG22 ILE A 80 -4.188 -8.700 -12.172 1.00 35.24 H new ATOM 0 HG23 ILE A 80 -5.966 -8.757 -12.114 1.00 35.24 H new ATOM 0 HD11 ILE A 80 -7.121 -7.449 -8.273 1.00 14.34 H new ATOM 0 HD12 ILE A 80 -5.345 -7.350 -8.352 1.00 14.34 H new ATOM 0 HD13 ILE A 80 -6.324 -6.930 -9.778 1.00 14.34 H new ATOM 1276 N LEU A 81 -2.617 -11.129 -11.163 1.00 33.42 N ATOM 1277 CA LEU A 81 -1.464 -11.396 -12.015 1.00 32.21 C ATOM 1278 C LEU A 81 -1.513 -12.811 -12.586 1.00 1.24 C ATOM 1279 O LEU A 81 -1.092 -13.043 -13.716 1.00 4.45 O ATOM 1280 CB LEU A 81 -0.168 -11.184 -11.234 1.00 15.40 C ATOM 1281 CG LEU A 81 0.070 -9.749 -10.767 1.00 20.53 C ATOM 1282 CD1 LEU A 81 1.342 -9.663 -9.946 1.00 64.53 C ATOM 1283 CD2 LEU A 81 0.141 -8.810 -11.960 1.00 15.13 C ATOM 0 H LEU A 81 -2.384 -10.958 -10.185 1.00 33.42 H new ATOM 0 HA LEU A 81 -1.493 -10.696 -12.850 1.00 32.21 H new ATOM 0 HB2 LEU A 81 -0.174 -11.839 -10.363 1.00 15.40 H new ATOM 0 HB3 LEU A 81 0.671 -11.492 -11.858 1.00 15.40 H new ATOM 0 HG LEU A 81 -0.766 -9.446 -10.137 1.00 20.53 H new ATOM 0 HD11 LEU A 81 1.497 -8.634 -9.621 1.00 64.53 H new ATOM 0 HD12 LEU A 81 1.256 -10.310 -9.073 1.00 64.53 H new ATOM 0 HD13 LEU A 81 2.189 -9.983 -10.553 1.00 64.53 H new ATOM 0 HD21 LEU A 81 0.311 -7.791 -11.612 1.00 15.13 H new ATOM 0 HD22 LEU A 81 0.960 -9.112 -12.612 1.00 15.13 H new ATOM 0 HD23 LEU A 81 -0.797 -8.853 -12.513 1.00 15.13 H new ATOM 1295 N ASN A 82 -2.035 -13.744 -11.800 1.00 62.32 N ATOM 1296 CA ASN A 82 -2.218 -15.122 -12.248 1.00 72.32 C ATOM 1297 C ASN A 82 -3.177 -15.173 -13.437 1.00 33.41 C ATOM 1298 O ASN A 82 -2.980 -15.942 -14.379 1.00 60.53 O ATOM 1299 CB ASN A 82 -2.744 -15.988 -11.096 1.00 50.11 C ATOM 1300 CG ASN A 82 -2.993 -17.434 -11.496 1.00 62.02 C ATOM 1301 OD1 ASN A 82 -2.317 -17.979 -12.372 1.00 73.11 O ATOM 1302 ND2 ASN A 82 -3.960 -18.066 -10.848 1.00 62.13 N ATOM 0 H ASN A 82 -2.341 -13.571 -10.843 1.00 62.32 H new ATOM 0 HA ASN A 82 -1.253 -15.517 -12.567 1.00 72.32 H new ATOM 0 HB2 ASN A 82 -2.027 -15.964 -10.275 1.00 50.11 H new ATOM 0 HB3 ASN A 82 -3.672 -15.557 -10.721 1.00 50.11 H new ATOM 0 HD21 ASN A 82 -4.169 -19.040 -11.067 1.00 62.13 H new ATOM 0 HD22 ASN A 82 -4.496 -17.579 -10.130 1.00 62.13 H new ATOM 1309 N PHE A 83 -4.215 -14.344 -13.393 1.00 71.14 N ATOM 1310 CA PHE A 83 -5.155 -14.246 -14.503 1.00 10.34 C ATOM 1311 C PHE A 83 -4.554 -13.450 -15.657 1.00 74.44 C ATOM 1312 O PHE A 83 -4.972 -13.592 -16.807 1.00 74.53 O ATOM 1313 CB PHE A 83 -6.471 -13.607 -14.056 1.00 42.32 C ATOM 1314 CG PHE A 83 -7.246 -14.445 -13.083 1.00 21.41 C ATOM 1315 CD1 PHE A 83 -7.654 -15.723 -13.424 1.00 31.12 C ATOM 1316 CD2 PHE A 83 -7.568 -13.953 -11.830 1.00 21.10 C ATOM 1317 CE1 PHE A 83 -8.369 -16.496 -12.532 1.00 54.00 C ATOM 1318 CE2 PHE A 83 -8.283 -14.720 -10.934 1.00 72.54 C ATOM 1319 CZ PHE A 83 -8.685 -15.993 -11.285 1.00 31.42 C ATOM 0 H PHE A 83 -4.426 -13.733 -12.604 1.00 71.14 H new ATOM 0 HA PHE A 83 -5.362 -15.259 -14.848 1.00 10.34 H new ATOM 0 HB2 PHE A 83 -6.259 -12.639 -13.601 1.00 42.32 H new ATOM 0 HB3 PHE A 83 -7.090 -13.418 -14.933 1.00 42.32 H new ATOM 0 HD1 PHE A 83 -7.410 -16.119 -14.399 1.00 31.12 H new ATOM 0 HD2 PHE A 83 -7.256 -12.957 -11.551 1.00 21.10 H new ATOM 0 HE1 PHE A 83 -8.681 -17.492 -12.808 1.00 54.00 H new ATOM 0 HE2 PHE A 83 -8.528 -14.325 -9.959 1.00 72.54 H new ATOM 0 HZ PHE A 83 -9.246 -16.595 -10.585 1.00 31.42 H new ATOM 1329 N TYR A 84 -3.581 -12.603 -15.345 1.00 62.32 N ATOM 1330 CA TYR A 84 -2.890 -11.821 -16.362 1.00 63.24 C ATOM 1331 C TYR A 84 -1.931 -12.702 -17.159 1.00 1.44 C ATOM 1332 O TYR A 84 -2.143 -12.941 -18.347 1.00 73.33 O ATOM 1333 CB TYR A 84 -2.130 -10.650 -15.723 1.00 35.10 C ATOM 1334 CG TYR A 84 -2.991 -9.444 -15.414 1.00 14.41 C ATOM 1335 CD1 TYR A 84 -4.378 -9.532 -15.391 1.00 75.13 C ATOM 1336 CD2 TYR A 84 -2.410 -8.210 -15.157 1.00 13.12 C ATOM 1337 CE1 TYR A 84 -5.159 -8.426 -15.122 1.00 21.21 C ATOM 1338 CE2 TYR A 84 -3.185 -7.100 -14.883 1.00 24.33 C ATOM 1339 CZ TYR A 84 -4.557 -7.213 -14.868 1.00 22.34 C ATOM 1340 OH TYR A 84 -5.333 -6.106 -14.602 1.00 42.30 O ATOM 0 H TYR A 84 -3.252 -12.440 -14.393 1.00 62.32 H new ATOM 0 HA TYR A 84 -3.638 -11.417 -17.044 1.00 63.24 H new ATOM 0 HB2 TYR A 84 -1.664 -10.995 -14.800 1.00 35.10 H new ATOM 0 HB3 TYR A 84 -1.325 -10.346 -16.392 1.00 35.10 H new ATOM 0 HD1 TYR A 84 -4.853 -10.482 -15.587 1.00 75.13 H new ATOM 0 HD2 TYR A 84 -1.334 -8.116 -15.172 1.00 13.12 H new ATOM 0 HE1 TYR A 84 -6.236 -8.511 -15.111 1.00 21.21 H new ATOM 0 HE2 TYR A 84 -2.717 -6.148 -14.681 1.00 24.33 H new ATOM 0 HH TYR A 84 -4.754 -5.331 -14.444 1.00 42.30 H new