USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 764 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 67 THR OG1 : rot 113:sc= 0.766 USER MOD Set 1.2: A 72 TYR OH : rot 100:sc= -0.621 USER MOD Set 2.1: A 19 THR OG1 : rot 180:sc= 1.03 USER MOD Set 2.2: A 62 THR OG1 : rot -119:sc= 1.19 USER MOD Set 3.1: A 12 ASN : amide:sc= -0.766 X(o=0.32,f=0.75) USER MOD Set 3.2: A 14 THR OG1 : rot 76:sc= 0.688 USER MOD Set 3.3: A 17 THR OG1 : rot 53:sc= 0.4 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HE2:sc= -0.0789 K(o=-0.079,f=-0.71) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 21:sc= 0.353 USER MOD Single : A 32 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.133) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -1.92 K(o=-1.9,f=-1.2) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -1.32 K(o=-1.3,f=-11!) USER MOD Single : A 54 SER OG : rot 180:sc= 0.139 USER MOD Single : A 55 ASN : amide:sc= -0.576 K(o=-0.58,f=0) USER MOD Single : A 59 ASN : amide:sc= -2.41 K(o=-2.4,f=-6.8!) USER MOD Single : A 64 SER OG : rot 180:sc= 0.0497 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -7.51! C(o=-7.5!,f=-15!) USER MOD Single : A 86 SER OG : rot -44:sc= -0.251! USER MOD Single : A 89 SER OG : rot -90:sc= -2.06! USER MOD Single : A 92 SER OG : rot -9:sc= -2.29 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.0173 USER MOD Single : A 97 CYS SG : rot -116:sc= -0.783 USER MOD ----------------------------------------------------------------- ATOM 26 N ILE A 2 -18.512 -3.281 -6.084 1.00 0.68 N ATOM 27 CA ILE A 2 -17.476 -2.653 -5.273 1.00 0.61 C ATOM 28 C ILE A 2 -16.298 -2.219 -6.140 1.00 0.57 C ATOM 29 O ILE A 2 -15.999 -2.847 -7.155 1.00 0.63 O ATOM 30 CB ILE A 2 -16.967 -3.605 -4.169 1.00 0.62 C ATOM 31 CG1 ILE A 2 -16.041 -2.854 -3.202 1.00 0.60 C ATOM 32 CG2 ILE A 2 -16.246 -4.798 -4.788 1.00 0.66 C ATOM 33 CD1 ILE A 2 -15.282 -3.750 -2.237 1.00 0.56 C ATOM 0 HA ILE A 2 -17.925 -1.778 -4.803 1.00 0.61 H new ATOM 0 HB ILE A 2 -17.823 -3.976 -3.606 1.00 0.62 H new ATOM 0 HG12 ILE A 2 -15.323 -2.275 -3.782 1.00 0.60 H new ATOM 0 HG13 ILE A 2 -16.635 -2.143 -2.628 1.00 0.60 H new ATOM 0 HG21 ILE A 2 -15.893 -5.460 -3.997 1.00 0.66 H new ATOM 0 HG22 ILE A 2 -16.933 -5.342 -5.437 1.00 0.66 H new ATOM 0 HG23 ILE A 2 -15.396 -4.446 -5.373 1.00 0.66 H new ATOM 0 HD11 ILE A 2 -14.652 -3.138 -1.591 1.00 0.56 H new ATOM 0 HD12 ILE A 2 -15.990 -4.311 -1.627 1.00 0.56 H new ATOM 0 HD13 ILE A 2 -14.658 -4.445 -2.800 1.00 0.56 H new ATOM 45 N ASP A 3 -15.633 -1.143 -5.736 1.00 0.55 N ATOM 46 CA ASP A 3 -14.490 -0.633 -6.482 1.00 0.54 C ATOM 47 C ASP A 3 -13.325 -0.304 -5.546 1.00 0.47 C ATOM 48 O ASP A 3 -13.468 0.514 -4.636 1.00 0.49 O ATOM 49 CB ASP A 3 -14.892 0.615 -7.266 1.00 0.61 C ATOM 50 CG ASP A 3 -16.362 0.946 -7.114 1.00 1.15 C ATOM 51 OD1 ASP A 3 -17.178 0.382 -7.873 1.00 1.64 O ATOM 52 OD2 ASP A 3 -16.698 1.771 -6.238 1.00 2.00 O ATOM 0 H ASP A 3 -15.865 -0.609 -4.899 1.00 0.55 H new ATOM 0 HA ASP A 3 -14.165 -1.408 -7.176 1.00 0.54 H new ATOM 0 HB2 ASP A 3 -14.295 1.462 -6.926 1.00 0.61 H new ATOM 0 HB3 ASP A 3 -14.663 0.467 -8.321 1.00 0.61 H new ATOM 57 N PRO A 4 -12.152 -0.933 -5.752 1.00 0.44 N ATOM 58 CA PRO A 4 -10.972 -0.690 -4.916 1.00 0.41 C ATOM 59 C PRO A 4 -10.338 0.671 -5.194 1.00 0.38 C ATOM 60 O PRO A 4 -10.513 1.239 -6.274 1.00 0.43 O ATOM 61 CB PRO A 4 -10.019 -1.819 -5.312 1.00 0.45 C ATOM 62 CG PRO A 4 -10.394 -2.149 -6.715 1.00 0.50 C ATOM 63 CD PRO A 4 -11.881 -1.925 -6.811 1.00 0.50 C ATOM 0 HA PRO A 4 -11.217 -0.677 -3.854 1.00 0.41 H new ATOM 0 HB2 PRO A 4 -8.978 -1.502 -5.243 1.00 0.45 H new ATOM 0 HB3 PRO A 4 -10.133 -2.683 -4.657 1.00 0.45 H new ATOM 0 HG2 PRO A 4 -9.858 -1.516 -7.422 1.00 0.50 H new ATOM 0 HG3 PRO A 4 -10.139 -3.181 -6.955 1.00 0.50 H new ATOM 0 HD2 PRO A 4 -12.167 -1.551 -7.794 1.00 0.50 H new ATOM 0 HD3 PRO A 4 -12.437 -2.848 -6.647 1.00 0.50 H new ATOM 71 N PRO A 5 -9.591 1.215 -4.219 1.00 0.37 N ATOM 72 CA PRO A 5 -8.926 2.514 -4.355 1.00 0.39 C ATOM 73 C PRO A 5 -8.072 2.605 -5.613 1.00 0.38 C ATOM 74 O PRO A 5 -8.044 1.685 -6.429 1.00 0.47 O ATOM 75 CB PRO A 5 -8.040 2.610 -3.105 1.00 0.46 C ATOM 76 CG PRO A 5 -8.033 1.242 -2.510 1.00 0.71 C ATOM 77 CD PRO A 5 -9.332 0.610 -2.908 1.00 0.43 C ATOM 0 HA PRO A 5 -9.651 3.324 -4.441 1.00 0.39 H new ATOM 0 HB2 PRO A 5 -7.031 2.930 -3.364 1.00 0.46 H new ATOM 0 HB3 PRO A 5 -8.435 3.342 -2.400 1.00 0.46 H new ATOM 0 HG2 PRO A 5 -7.188 0.661 -2.879 1.00 0.71 H new ATOM 0 HG3 PRO A 5 -7.939 1.289 -1.425 1.00 0.71 H new ATOM 0 HD2 PRO A 5 -9.253 -0.475 -2.970 1.00 0.43 H new ATOM 0 HD3 PRO A 5 -10.126 0.831 -2.195 1.00 0.43 H new ATOM 85 N GLY A 6 -7.372 3.726 -5.757 1.00 0.37 N ATOM 86 CA GLY A 6 -6.520 3.925 -6.913 1.00 0.39 C ATOM 87 C GLY A 6 -5.149 3.309 -6.729 1.00 0.42 C ATOM 88 O GLY A 6 -4.783 2.909 -5.625 1.00 0.66 O ATOM 0 H GLY A 6 -7.380 4.500 -5.093 1.00 0.37 H new ATOM 0 HA2 GLY A 6 -6.996 3.490 -7.792 1.00 0.39 H new ATOM 0 HA3 GLY A 6 -6.414 4.993 -7.104 1.00 0.39 H new ATOM 92 N LYS A 7 -4.390 3.233 -7.815 1.00 0.41 N ATOM 93 CA LYS A 7 -3.050 2.664 -7.771 1.00 0.44 C ATOM 94 C LYS A 7 -2.190 3.391 -6.738 1.00 0.37 C ATOM 95 O LYS A 7 -2.053 4.612 -6.795 1.00 0.42 O ATOM 96 CB LYS A 7 -2.398 2.761 -9.152 1.00 0.54 C ATOM 97 CG LYS A 7 -1.530 1.564 -9.504 1.00 0.64 C ATOM 98 CD LYS A 7 -0.669 1.840 -10.726 1.00 1.01 C ATOM 99 CE LYS A 7 0.781 2.088 -10.344 1.00 0.95 C ATOM 100 NZ LYS A 7 1.719 1.599 -11.392 1.00 1.52 N ATOM 0 H LYS A 7 -4.680 3.559 -8.737 1.00 0.41 H new ATOM 0 HA LYS A 7 -3.128 1.616 -7.482 1.00 0.44 H new ATOM 0 HB2 LYS A 7 -3.178 2.867 -9.906 1.00 0.54 H new ATOM 0 HB3 LYS A 7 -1.790 3.664 -9.194 1.00 0.54 H new ATOM 0 HG2 LYS A 7 -0.891 1.315 -8.657 1.00 0.64 H new ATOM 0 HG3 LYS A 7 -2.163 0.697 -9.692 1.00 0.64 H new ATOM 0 HD2 LYS A 7 -0.726 0.994 -11.411 1.00 1.01 H new ATOM 0 HD3 LYS A 7 -1.059 2.707 -11.258 1.00 1.01 H new ATOM 0 HE2 LYS A 7 0.938 3.155 -10.185 1.00 0.95 H new ATOM 0 HE3 LYS A 7 0.999 1.589 -9.400 1.00 0.95 H new ATOM 0 HZ1 LYS A 7 2.698 1.786 -11.096 1.00 1.52 H new ATOM 0 HZ2 LYS A 7 1.587 0.576 -11.526 1.00 1.52 H new ATOM 0 HZ3 LYS A 7 1.528 2.093 -12.287 1.00 1.52 H new ATOM 114 N PRO A 8 -1.589 2.661 -5.777 1.00 0.34 N ATOM 115 CA PRO A 8 -0.741 3.268 -4.750 1.00 0.32 C ATOM 116 C PRO A 8 0.605 3.689 -5.324 1.00 0.33 C ATOM 117 O PRO A 8 1.236 2.932 -6.062 1.00 0.44 O ATOM 118 CB PRO A 8 -0.567 2.153 -3.702 1.00 0.39 C ATOM 119 CG PRO A 8 -1.493 1.057 -4.122 1.00 0.44 C ATOM 120 CD PRO A 8 -1.665 1.204 -5.605 1.00 0.41 C ATOM 0 HA PRO A 8 -1.180 4.174 -4.332 1.00 0.32 H new ATOM 0 HB2 PRO A 8 0.465 1.803 -3.670 1.00 0.39 H new ATOM 0 HB3 PRO A 8 -0.813 2.513 -2.703 1.00 0.39 H new ATOM 0 HG2 PRO A 8 -1.079 0.080 -3.873 1.00 0.44 H new ATOM 0 HG3 PRO A 8 -2.451 1.138 -3.609 1.00 0.44 H new ATOM 0 HD2 PRO A 8 -0.883 0.686 -6.160 1.00 0.41 H new ATOM 0 HD3 PRO A 8 -2.618 0.802 -5.947 1.00 0.41 H new ATOM 128 N VAL A 9 1.037 4.903 -4.998 1.00 0.34 N ATOM 129 CA VAL A 9 2.305 5.410 -5.508 1.00 0.38 C ATOM 130 C VAL A 9 3.129 6.116 -4.423 1.00 0.34 C ATOM 131 O VAL A 9 2.756 7.190 -3.948 1.00 0.35 O ATOM 132 CB VAL A 9 2.068 6.374 -6.691 1.00 0.43 C ATOM 133 CG1 VAL A 9 1.487 7.700 -6.215 1.00 1.09 C ATOM 134 CG2 VAL A 9 3.358 6.593 -7.468 1.00 0.53 C ATOM 0 H VAL A 9 0.533 5.548 -4.389 1.00 0.34 H new ATOM 0 HA VAL A 9 2.875 4.546 -5.849 1.00 0.38 H new ATOM 0 HB VAL A 9 1.339 5.915 -7.359 1.00 0.43 H new ATOM 0 HG11 VAL A 9 1.331 8.357 -7.071 1.00 1.09 H new ATOM 0 HG12 VAL A 9 0.534 7.522 -5.716 1.00 1.09 H new ATOM 0 HG13 VAL A 9 2.179 8.171 -5.517 1.00 1.09 H new ATOM 0 HG21 VAL A 9 3.172 7.275 -8.298 1.00 0.53 H new ATOM 0 HG22 VAL A 9 4.112 7.022 -6.808 1.00 0.53 H new ATOM 0 HG23 VAL A 9 3.716 5.639 -7.856 1.00 0.53 H new ATOM 144 N PRO A 10 4.264 5.518 -4.010 1.00 0.34 N ATOM 145 CA PRO A 10 5.126 6.097 -2.984 1.00 0.32 C ATOM 146 C PRO A 10 5.646 7.492 -3.346 1.00 0.37 C ATOM 147 O PRO A 10 6.669 7.616 -4.019 1.00 0.64 O ATOM 148 CB PRO A 10 6.301 5.132 -2.880 1.00 0.38 C ATOM 149 CG PRO A 10 5.836 3.863 -3.500 1.00 0.39 C ATOM 150 CD PRO A 10 4.776 4.231 -4.498 1.00 0.42 C ATOM 0 HA PRO A 10 4.571 6.224 -2.054 1.00 0.32 H new ATOM 0 HB2 PRO A 10 7.176 5.523 -3.399 1.00 0.38 H new ATOM 0 HB3 PRO A 10 6.589 4.977 -1.840 1.00 0.38 H new ATOM 0 HG2 PRO A 10 6.662 3.345 -3.987 1.00 0.39 H new ATOM 0 HG3 PRO A 10 5.437 3.187 -2.744 1.00 0.39 H new ATOM 0 HD2 PRO A 10 5.187 4.320 -5.503 1.00 0.42 H new ATOM 0 HD3 PRO A 10 3.989 3.478 -4.541 1.00 0.42 H new ATOM 158 N LEU A 11 4.956 8.544 -2.896 1.00 0.34 N ATOM 159 CA LEU A 11 5.393 9.910 -3.185 1.00 0.43 C ATOM 160 C LEU A 11 6.842 10.088 -2.756 1.00 0.43 C ATOM 161 O LEU A 11 7.623 10.775 -3.414 1.00 0.57 O ATOM 162 CB LEU A 11 4.523 10.944 -2.453 1.00 0.56 C ATOM 163 CG LEU A 11 3.007 10.811 -2.636 1.00 0.92 C ATOM 164 CD1 LEU A 11 2.656 10.287 -4.023 1.00 1.64 C ATOM 165 CD2 LEU A 11 2.424 9.916 -1.555 1.00 1.12 C ATOM 0 H LEU A 11 4.105 8.477 -2.338 1.00 0.34 H new ATOM 0 HA LEU A 11 5.295 10.072 -4.258 1.00 0.43 H new ATOM 0 HB2 LEU A 11 4.745 10.884 -1.388 1.00 0.56 H new ATOM 0 HB3 LEU A 11 4.821 11.938 -2.786 1.00 0.56 H new ATOM 0 HG LEU A 11 2.567 11.804 -2.543 1.00 0.92 H new ATOM 0 HD11 LEU A 11 1.573 10.205 -4.118 1.00 1.64 H new ATOM 0 HD12 LEU A 11 3.035 10.975 -4.779 1.00 1.64 H new ATOM 0 HD13 LEU A 11 3.108 9.306 -4.166 1.00 1.64 H new ATOM 0 HD21 LEU A 11 1.347 9.830 -1.696 1.00 1.12 H new ATOM 0 HD22 LEU A 11 2.879 8.927 -1.617 1.00 1.12 H new ATOM 0 HD23 LEU A 11 2.628 10.348 -0.575 1.00 1.12 H new ATOM 177 N ASN A 12 7.187 9.449 -1.644 1.00 0.34 N ATOM 178 CA ASN A 12 8.535 9.512 -1.108 1.00 0.36 C ATOM 179 C ASN A 12 8.954 8.135 -0.620 1.00 0.37 C ATOM 180 O ASN A 12 8.109 7.325 -0.246 1.00 0.58 O ATOM 181 CB ASN A 12 8.617 10.525 0.038 1.00 0.42 C ATOM 182 CG ASN A 12 10.049 10.883 0.384 1.00 0.58 C ATOM 183 OD1 ASN A 12 10.567 11.913 -0.049 1.00 0.72 O ATOM 184 ND2 ASN A 12 10.696 10.031 1.169 1.00 0.71 N ATOM 0 H ASN A 12 6.544 8.878 -1.095 1.00 0.34 H new ATOM 0 HA ASN A 12 9.211 9.837 -1.898 1.00 0.36 H new ATOM 0 HB2 ASN A 12 8.075 11.429 -0.239 1.00 0.42 H new ATOM 0 HB3 ASN A 12 8.124 10.115 0.919 1.00 0.42 H new ATOM 0 HD21 ASN A 12 11.662 10.217 1.437 1.00 0.71 H new ATOM 0 HD22 ASN A 12 10.227 9.190 1.504 1.00 0.71 H new ATOM 191 N ILE A 13 10.251 7.868 -0.631 1.00 0.38 N ATOM 192 CA ILE A 13 10.753 6.576 -0.193 1.00 0.43 C ATOM 193 C ILE A 13 12.052 6.718 0.592 1.00 0.53 C ATOM 194 O ILE A 13 13.130 6.843 0.014 1.00 0.75 O ATOM 195 CB ILE A 13 10.959 5.642 -1.390 1.00 0.48 C ATOM 196 CG1 ILE A 13 11.671 6.393 -2.521 1.00 0.49 C ATOM 197 CG2 ILE A 13 9.606 5.100 -1.847 1.00 0.53 C ATOM 198 CD1 ILE A 13 11.643 5.675 -3.852 1.00 0.96 C ATOM 0 H ILE A 13 10.970 8.524 -0.936 1.00 0.38 H new ATOM 0 HA ILE A 13 10.004 6.141 0.470 1.00 0.43 H new ATOM 0 HB ILE A 13 11.588 4.800 -1.101 1.00 0.48 H new ATOM 0 HG12 ILE A 13 11.209 7.373 -2.639 1.00 0.49 H new ATOM 0 HG13 ILE A 13 12.709 6.562 -2.233 1.00 0.49 H new ATOM 0 HG21 ILE A 13 9.749 4.435 -2.699 1.00 0.53 H new ATOM 0 HG22 ILE A 13 9.140 4.548 -1.030 1.00 0.53 H new ATOM 0 HG23 ILE A 13 8.962 5.929 -2.139 1.00 0.53 H new ATOM 0 HD11 ILE A 13 12.167 6.272 -4.598 1.00 0.96 H new ATOM 0 HD12 ILE A 13 12.132 4.706 -3.753 1.00 0.96 H new ATOM 0 HD13 ILE A 13 10.609 5.529 -4.165 1.00 0.96 H new ATOM 210 N THR A 14 11.932 6.710 1.919 1.00 0.59 N ATOM 211 CA THR A 14 13.086 6.853 2.805 1.00 0.71 C ATOM 212 C THR A 14 13.712 5.513 3.164 1.00 0.79 C ATOM 213 O THR A 14 14.043 5.278 4.324 1.00 1.46 O ATOM 214 CB THR A 14 12.678 7.590 4.082 1.00 0.75 C ATOM 215 OG1 THR A 14 11.491 8.334 3.873 1.00 0.69 O ATOM 216 CG2 THR A 14 13.735 8.547 4.589 1.00 0.94 C ATOM 0 H THR A 14 11.042 6.605 2.406 1.00 0.59 H new ATOM 0 HA THR A 14 13.836 7.431 2.265 1.00 0.71 H new ATOM 0 HB THR A 14 12.531 6.810 4.829 1.00 0.75 H new ATOM 0 HG1 THR A 14 10.722 7.727 3.861 1.00 0.69 H new ATOM 0 HG21 THR A 14 13.379 9.035 5.496 1.00 0.94 H new ATOM 0 HG22 THR A 14 14.650 7.996 4.808 1.00 0.94 H new ATOM 0 HG23 THR A 14 13.939 9.300 3.828 1.00 0.94 H new ATOM 224 N ARG A 15 13.887 4.653 2.161 1.00 0.66 N ATOM 225 CA ARG A 15 14.497 3.338 2.357 1.00 0.67 C ATOM 226 C ARG A 15 13.759 2.500 3.402 1.00 0.71 C ATOM 227 O ARG A 15 13.063 1.544 3.062 1.00 1.19 O ATOM 228 CB ARG A 15 15.966 3.504 2.753 1.00 0.80 C ATOM 229 CG ARG A 15 16.740 4.419 1.819 1.00 0.96 C ATOM 230 CD ARG A 15 17.732 5.281 2.579 1.00 1.13 C ATOM 231 NE ARG A 15 18.932 4.538 2.952 1.00 1.43 N ATOM 232 CZ ARG A 15 19.773 4.932 3.902 1.00 1.67 C ATOM 233 NH1 ARG A 15 19.545 6.054 4.569 1.00 1.90 N ATOM 234 NH2 ARG A 15 20.844 4.203 4.185 1.00 2.42 N ATOM 0 H ARG A 15 13.613 4.846 1.198 1.00 0.66 H new ATOM 0 HA ARG A 15 14.426 2.800 1.411 1.00 0.67 H new ATOM 0 HB2 ARG A 15 16.019 3.902 3.767 1.00 0.80 H new ATOM 0 HB3 ARG A 15 16.444 2.524 2.769 1.00 0.80 H new ATOM 0 HG2 ARG A 15 17.270 3.820 1.078 1.00 0.96 H new ATOM 0 HG3 ARG A 15 16.044 5.057 1.275 1.00 0.96 H new ATOM 0 HD2 ARG A 15 18.012 6.137 1.965 1.00 1.13 H new ATOM 0 HD3 ARG A 15 17.256 5.675 3.477 1.00 1.13 H new ATOM 0 HE ARG A 15 19.136 3.670 2.457 1.00 1.43 H new ATOM 0 HH11 ARG A 15 18.722 6.617 4.354 1.00 1.90 H new ATOM 0 HH12 ARG A 15 20.192 6.354 5.298 1.00 1.90 H new ATOM 0 HH21 ARG A 15 21.023 3.339 3.673 1.00 2.42 H new ATOM 0 HH22 ARG A 15 21.489 4.506 4.915 1.00 2.42 H new ATOM 248 N HIS A 16 13.918 2.859 4.669 1.00 0.50 N ATOM 249 CA HIS A 16 13.271 2.135 5.760 1.00 0.54 C ATOM 250 C HIS A 16 11.796 2.501 5.853 1.00 0.57 C ATOM 251 O HIS A 16 10.962 1.676 6.223 1.00 0.97 O ATOM 252 CB HIS A 16 13.968 2.437 7.087 1.00 0.67 C ATOM 253 CG HIS A 16 15.253 1.691 7.268 1.00 0.68 C ATOM 254 ND1 HIS A 16 15.614 1.054 8.434 1.00 0.97 N ATOM 255 CD2 HIS A 16 16.274 1.483 6.396 1.00 0.78 C ATOM 256 CE1 HIS A 16 16.816 0.494 8.241 1.00 1.02 C ATOM 257 NE2 HIS A 16 17.259 0.724 7.020 1.00 0.86 N ATOM 0 H HIS A 16 14.490 3.648 4.969 1.00 0.50 H new ATOM 0 HA HIS A 16 13.351 1.068 5.552 1.00 0.54 H new ATOM 0 HB2 HIS A 16 14.166 3.507 7.149 1.00 0.67 H new ATOM 0 HB3 HIS A 16 13.294 2.189 7.907 1.00 0.67 H new ATOM 0 HD1 HIS A 16 15.064 1.015 9.292 1.00 0.97 H new ATOM 0 HD2 HIS A 16 16.314 1.849 5.381 1.00 0.78 H new ATOM 0 HE1 HIS A 16 17.352 -0.072 8.988 1.00 1.02 H new ATOM 265 N THR A 17 11.483 3.744 5.509 1.00 0.43 N ATOM 266 CA THR A 17 10.105 4.221 5.546 1.00 0.42 C ATOM 267 C THR A 17 9.738 4.844 4.209 1.00 0.38 C ATOM 268 O THR A 17 10.281 5.881 3.836 1.00 0.56 O ATOM 269 CB THR A 17 9.919 5.245 6.668 1.00 0.56 C ATOM 270 OG1 THR A 17 10.727 6.385 6.446 1.00 0.65 O ATOM 271 CG2 THR A 17 10.257 4.704 8.039 1.00 0.68 C ATOM 0 H THR A 17 12.163 4.439 5.202 1.00 0.43 H new ATOM 0 HA THR A 17 9.449 3.373 5.740 1.00 0.42 H new ATOM 0 HB THR A 17 8.860 5.501 6.649 1.00 0.56 H new ATOM 0 HG1 THR A 17 10.560 6.734 5.545 1.00 0.65 H new ATOM 0 HG21 THR A 17 10.103 5.483 8.786 1.00 0.68 H new ATOM 0 HG22 THR A 17 9.613 3.853 8.263 1.00 0.68 H new ATOM 0 HG23 THR A 17 11.299 4.385 8.058 1.00 0.68 H new ATOM 279 N VAL A 18 8.821 4.212 3.484 1.00 0.27 N ATOM 280 CA VAL A 18 8.415 4.734 2.191 1.00 0.33 C ATOM 281 C VAL A 18 6.984 5.261 2.216 1.00 0.32 C ATOM 282 O VAL A 18 6.032 4.530 2.484 1.00 0.51 O ATOM 283 CB VAL A 18 8.581 3.693 1.055 1.00 0.44 C ATOM 284 CG1 VAL A 18 9.983 3.097 1.052 1.00 0.46 C ATOM 285 CG2 VAL A 18 7.522 2.613 1.111 1.00 0.80 C ATOM 0 H VAL A 18 8.353 3.351 3.767 1.00 0.27 H new ATOM 0 HA VAL A 18 9.085 5.567 1.980 1.00 0.33 H new ATOM 0 HB VAL A 18 8.442 4.224 0.113 1.00 0.44 H new ATOM 0 HG11 VAL A 18 10.068 2.370 0.244 1.00 0.46 H new ATOM 0 HG12 VAL A 18 10.715 3.891 0.905 1.00 0.46 H new ATOM 0 HG13 VAL A 18 10.170 2.603 2.005 1.00 0.46 H new ATOM 0 HG21 VAL A 18 7.679 1.907 0.296 1.00 0.80 H new ATOM 0 HG22 VAL A 18 7.588 2.088 2.064 1.00 0.80 H new ATOM 0 HG23 VAL A 18 6.535 3.066 1.014 1.00 0.80 H new ATOM 295 N THR A 19 6.839 6.549 1.934 1.00 0.27 N ATOM 296 CA THR A 19 5.531 7.180 1.919 1.00 0.24 C ATOM 297 C THR A 19 4.849 6.967 0.578 1.00 0.22 C ATOM 298 O THR A 19 5.509 6.995 -0.456 1.00 0.34 O ATOM 299 CB THR A 19 5.646 8.673 2.178 1.00 0.28 C ATOM 300 OG1 THR A 19 6.119 8.930 3.487 1.00 0.35 O ATOM 301 CG2 THR A 19 4.321 9.381 2.010 1.00 0.32 C ATOM 0 H THR A 19 7.613 7.175 1.713 1.00 0.27 H new ATOM 0 HA THR A 19 4.937 6.721 2.709 1.00 0.24 H new ATOM 0 HB THR A 19 6.354 9.054 1.441 1.00 0.28 H new ATOM 0 HG1 THR A 19 6.185 9.898 3.627 1.00 0.35 H new ATOM 0 HG21 THR A 19 4.450 10.446 2.205 1.00 0.32 H new ATOM 0 HG22 THR A 19 3.959 9.240 0.991 1.00 0.32 H new ATOM 0 HG23 THR A 19 3.597 8.969 2.713 1.00 0.32 H new ATOM 309 N LEU A 20 3.528 6.769 0.619 1.00 0.28 N ATOM 310 CA LEU A 20 2.728 6.548 -0.585 1.00 0.26 C ATOM 311 C LEU A 20 1.321 7.117 -0.441 1.00 0.28 C ATOM 312 O LEU A 20 0.867 7.424 0.663 1.00 0.40 O ATOM 313 CB LEU A 20 2.640 5.053 -0.914 1.00 0.33 C ATOM 314 CG LEU A 20 3.141 4.112 0.182 1.00 0.39 C ATOM 315 CD1 LEU A 20 2.129 3.022 0.457 1.00 0.52 C ATOM 316 CD2 LEU A 20 4.484 3.546 -0.219 1.00 0.50 C ATOM 0 H LEU A 20 2.987 6.758 1.484 1.00 0.28 H new ATOM 0 HA LEU A 20 3.230 7.070 -1.400 1.00 0.26 H new ATOM 0 HB2 LEU A 20 1.601 4.807 -1.134 1.00 0.33 H new ATOM 0 HB3 LEU A 20 3.212 4.863 -1.822 1.00 0.33 H new ATOM 0 HG LEU A 20 3.267 4.669 1.111 1.00 0.39 H new ATOM 0 HD11 LEU A 20 2.506 2.364 1.240 1.00 0.52 H new ATOM 0 HD12 LEU A 20 1.190 3.471 0.781 1.00 0.52 H new ATOM 0 HD13 LEU A 20 1.960 2.444 -0.452 1.00 0.52 H new ATOM 0 HD21 LEU A 20 4.843 2.875 0.561 1.00 0.50 H new ATOM 0 HD22 LEU A 20 4.382 2.995 -1.154 1.00 0.50 H new ATOM 0 HD23 LEU A 20 5.196 4.360 -0.354 1.00 0.50 H new ATOM 328 N LYS A 21 0.639 7.250 -1.576 1.00 0.25 N ATOM 329 CA LYS A 21 -0.725 7.778 -1.601 1.00 0.31 C ATOM 330 C LYS A 21 -1.453 7.339 -2.868 1.00 0.31 C ATOM 331 O LYS A 21 -0.828 7.086 -3.898 1.00 0.51 O ATOM 332 CB LYS A 21 -0.708 9.305 -1.511 1.00 0.40 C ATOM 333 CG LYS A 21 -1.985 9.901 -0.941 1.00 0.81 C ATOM 334 CD LYS A 21 -3.111 9.888 -1.960 1.00 0.95 C ATOM 335 CE LYS A 21 -3.688 11.280 -2.180 1.00 1.26 C ATOM 336 NZ LYS A 21 -3.058 11.974 -3.338 1.00 1.84 N ATOM 0 H LYS A 21 1.009 6.999 -2.493 1.00 0.25 H new ATOM 0 HA LYS A 21 -1.258 7.378 -0.738 1.00 0.31 H new ATOM 0 HB2 LYS A 21 0.134 9.614 -0.891 1.00 0.40 H new ATOM 0 HB3 LYS A 21 -0.539 9.716 -2.506 1.00 0.40 H new ATOM 0 HG2 LYS A 21 -2.287 9.339 -0.057 1.00 0.81 H new ATOM 0 HG3 LYS A 21 -1.797 10.925 -0.619 1.00 0.81 H new ATOM 0 HD2 LYS A 21 -2.741 9.494 -2.906 1.00 0.95 H new ATOM 0 HD3 LYS A 21 -3.900 9.216 -1.622 1.00 0.95 H new ATOM 0 HE2 LYS A 21 -4.763 11.204 -2.345 1.00 1.26 H new ATOM 0 HE3 LYS A 21 -3.545 11.877 -1.279 1.00 1.26 H new ATOM 0 HZ1 LYS A 21 -3.482 12.917 -3.450 1.00 1.84 H new ATOM 0 HZ2 LYS A 21 -2.036 12.071 -3.171 1.00 1.84 H new ATOM 0 HZ3 LYS A 21 -3.216 11.419 -4.203 1.00 1.84 H new ATOM 350 N TRP A 22 -2.778 7.243 -2.785 1.00 0.25 N ATOM 351 CA TRP A 22 -3.584 6.826 -3.927 1.00 0.24 C ATOM 352 C TRP A 22 -4.884 7.623 -4.024 1.00 0.24 C ATOM 353 O TRP A 22 -5.109 8.565 -3.265 1.00 0.40 O ATOM 354 CB TRP A 22 -3.902 5.340 -3.815 1.00 0.27 C ATOM 355 CG TRP A 22 -4.472 4.951 -2.488 1.00 0.26 C ATOM 356 CD1 TRP A 22 -5.778 4.682 -2.205 1.00 0.32 C ATOM 357 CD2 TRP A 22 -3.751 4.787 -1.262 1.00 0.25 C ATOM 358 NE1 TRP A 22 -5.915 4.358 -0.877 1.00 0.33 N ATOM 359 CE2 TRP A 22 -4.685 4.415 -0.277 1.00 0.28 C ATOM 360 CE3 TRP A 22 -2.408 4.916 -0.904 1.00 0.27 C ATOM 361 CZ2 TRP A 22 -4.316 4.173 1.042 1.00 0.31 C ATOM 362 CZ3 TRP A 22 -2.041 4.675 0.407 1.00 0.31 C ATOM 363 CH2 TRP A 22 -2.994 4.305 1.367 1.00 0.32 C ATOM 0 H TRP A 22 -3.314 7.448 -1.941 1.00 0.25 H new ATOM 0 HA TRP A 22 -3.006 7.017 -4.831 1.00 0.24 H new ATOM 0 HB2 TRP A 22 -4.608 5.067 -4.599 1.00 0.27 H new ATOM 0 HB3 TRP A 22 -2.992 4.767 -3.993 1.00 0.27 H new ATOM 0 HD1 TRP A 22 -6.587 4.718 -2.920 1.00 0.32 H new ATOM 0 HE1 TRP A 22 -6.790 4.115 -0.413 1.00 0.33 H new ATOM 0 HE3 TRP A 22 -1.668 5.199 -1.638 1.00 0.27 H new ATOM 0 HZ2 TRP A 22 -5.048 3.891 1.784 1.00 0.31 H new ATOM 0 HZ3 TRP A 22 -1.005 4.773 0.696 1.00 0.31 H new ATOM 0 HH2 TRP A 22 -2.678 4.121 2.383 1.00 0.32 H new ATOM 374 N ALA A 23 -5.738 7.234 -4.968 1.00 0.31 N ATOM 375 CA ALA A 23 -7.016 7.906 -5.174 1.00 0.33 C ATOM 376 C ALA A 23 -8.133 7.231 -4.386 1.00 0.36 C ATOM 377 O ALA A 23 -7.891 6.305 -3.614 1.00 0.83 O ATOM 378 CB ALA A 23 -7.356 7.931 -6.656 1.00 0.36 C ATOM 0 H ALA A 23 -5.566 6.455 -5.603 1.00 0.31 H new ATOM 0 HA ALA A 23 -6.924 8.929 -4.809 1.00 0.33 H new ATOM 0 HB1 ALA A 23 -8.312 8.434 -6.802 1.00 0.36 H new ATOM 0 HB2 ALA A 23 -6.577 8.467 -7.199 1.00 0.36 H new ATOM 0 HB3 ALA A 23 -7.423 6.910 -7.031 1.00 0.36 H new ATOM 384 N LYS A 24 -9.359 7.700 -4.587 1.00 0.59 N ATOM 385 CA LYS A 24 -10.516 7.142 -3.897 1.00 0.61 C ATOM 386 C LYS A 24 -11.519 6.579 -4.902 1.00 0.59 C ATOM 387 O LYS A 24 -11.778 7.192 -5.937 1.00 0.69 O ATOM 388 CB LYS A 24 -11.183 8.217 -3.034 1.00 0.74 C ATOM 389 CG LYS A 24 -12.235 7.673 -2.079 1.00 1.21 C ATOM 390 CD LYS A 24 -13.556 7.426 -2.791 1.00 1.22 C ATOM 391 CE LYS A 24 -14.741 7.830 -1.928 1.00 1.55 C ATOM 392 NZ LYS A 24 -16.003 7.185 -2.381 1.00 2.11 N ATOM 0 H LYS A 24 -9.578 8.467 -5.223 1.00 0.59 H new ATOM 0 HA LYS A 24 -10.177 6.330 -3.253 1.00 0.61 H new ATOM 0 HB2 LYS A 24 -10.416 8.735 -2.458 1.00 0.74 H new ATOM 0 HB3 LYS A 24 -11.646 8.957 -3.686 1.00 0.74 H new ATOM 0 HG2 LYS A 24 -11.880 6.743 -1.635 1.00 1.21 H new ATOM 0 HG3 LYS A 24 -12.387 8.378 -1.262 1.00 1.21 H new ATOM 0 HD2 LYS A 24 -13.577 7.988 -3.725 1.00 1.22 H new ATOM 0 HD3 LYS A 24 -13.638 6.371 -3.052 1.00 1.22 H new ATOM 0 HE2 LYS A 24 -14.545 7.556 -0.891 1.00 1.55 H new ATOM 0 HE3 LYS A 24 -14.857 8.913 -1.955 1.00 1.55 H new ATOM 0 HZ1 LYS A 24 -16.787 7.486 -1.767 1.00 2.11 H new ATOM 0 HZ2 LYS A 24 -16.204 7.466 -3.362 1.00 2.11 H new ATOM 0 HZ3 LYS A 24 -15.902 6.151 -2.331 1.00 2.11 H new ATOM 406 N PRO A 25 -12.100 5.401 -4.614 1.00 0.56 N ATOM 407 CA PRO A 25 -13.076 4.767 -5.506 1.00 0.63 C ATOM 408 C PRO A 25 -14.180 5.729 -5.924 1.00 0.75 C ATOM 409 O PRO A 25 -14.249 6.857 -5.437 1.00 0.89 O ATOM 410 CB PRO A 25 -13.649 3.634 -4.659 1.00 0.63 C ATOM 411 CG PRO A 25 -12.566 3.301 -3.692 1.00 0.71 C ATOM 412 CD PRO A 25 -11.855 4.596 -3.402 1.00 0.58 C ATOM 0 HA PRO A 25 -12.620 4.430 -6.437 1.00 0.63 H new ATOM 0 HB2 PRO A 25 -14.558 3.945 -4.144 1.00 0.63 H new ATOM 0 HB3 PRO A 25 -13.910 2.773 -5.274 1.00 0.63 H new ATOM 0 HG2 PRO A 25 -12.977 2.869 -2.780 1.00 0.71 H new ATOM 0 HG3 PRO A 25 -11.880 2.565 -4.112 1.00 0.71 H new ATOM 0 HD2 PRO A 25 -12.252 5.081 -2.510 1.00 0.58 H new ATOM 0 HD3 PRO A 25 -10.790 4.440 -3.232 1.00 0.58 H new ATOM 420 N GLU A 26 -15.040 5.282 -6.832 1.00 0.85 N ATOM 421 CA GLU A 26 -16.132 6.115 -7.311 1.00 1.05 C ATOM 422 C GLU A 26 -17.494 5.510 -6.980 1.00 0.95 C ATOM 423 O GLU A 26 -18.506 6.210 -6.990 1.00 1.12 O ATOM 424 CB GLU A 26 -16.008 6.318 -8.819 1.00 1.29 C ATOM 425 CG GLU A 26 -15.528 5.083 -9.564 1.00 1.83 C ATOM 426 CD GLU A 26 -15.623 5.236 -11.070 1.00 2.18 C ATOM 427 OE1 GLU A 26 -14.886 6.075 -11.629 1.00 2.53 O ATOM 428 OE2 GLU A 26 -16.436 4.517 -11.690 1.00 2.77 O ATOM 0 H GLU A 26 -15.001 4.352 -7.248 1.00 0.85 H new ATOM 0 HA GLU A 26 -16.063 7.077 -6.803 1.00 1.05 H new ATOM 0 HB2 GLU A 26 -16.977 6.618 -9.217 1.00 1.29 H new ATOM 0 HB3 GLU A 26 -15.317 7.139 -9.011 1.00 1.29 H new ATOM 0 HG2 GLU A 26 -14.494 4.876 -9.288 1.00 1.83 H new ATOM 0 HG3 GLU A 26 -16.120 4.222 -9.252 1.00 1.83 H new ATOM 435 N TYR A 27 -17.525 4.210 -6.694 1.00 0.85 N ATOM 436 CA TYR A 27 -18.783 3.543 -6.373 1.00 0.84 C ATOM 437 C TYR A 27 -18.737 2.846 -5.015 1.00 0.86 C ATOM 438 O TYR A 27 -19.389 3.284 -4.068 1.00 1.37 O ATOM 439 CB TYR A 27 -19.147 2.531 -7.461 1.00 0.86 C ATOM 440 CG TYR A 27 -20.640 2.350 -7.629 1.00 0.94 C ATOM 441 CD1 TYR A 27 -21.382 3.213 -8.426 1.00 1.15 C ATOM 442 CD2 TYR A 27 -21.309 1.318 -6.984 1.00 0.93 C ATOM 443 CE1 TYR A 27 -22.748 3.051 -8.575 1.00 1.28 C ATOM 444 CE2 TYR A 27 -22.672 1.150 -7.127 1.00 1.04 C ATOM 445 CZ TYR A 27 -23.388 2.017 -7.924 1.00 1.19 C ATOM 446 OH TYR A 27 -24.747 1.852 -8.070 1.00 1.35 O ATOM 0 H TYR A 27 -16.704 3.605 -6.678 1.00 0.85 H new ATOM 0 HA TYR A 27 -19.549 4.317 -6.324 1.00 0.84 H new ATOM 0 HB2 TYR A 27 -18.718 2.856 -8.409 1.00 0.86 H new ATOM 0 HB3 TYR A 27 -18.695 1.569 -7.219 1.00 0.86 H new ATOM 0 HD1 TYR A 27 -20.884 4.024 -8.938 1.00 1.15 H new ATOM 0 HD2 TYR A 27 -20.753 0.635 -6.359 1.00 0.93 H new ATOM 0 HE1 TYR A 27 -23.310 3.731 -9.198 1.00 1.28 H new ATOM 0 HE2 TYR A 27 -23.175 0.342 -6.616 1.00 1.04 H new ATOM 0 HH TYR A 27 -25.041 1.077 -7.547 1.00 1.35 H new ATOM 456 N THR A 28 -17.980 1.753 -4.929 1.00 0.65 N ATOM 457 CA THR A 28 -17.874 0.994 -3.685 1.00 0.61 C ATOM 458 C THR A 28 -19.263 0.662 -3.155 1.00 0.66 C ATOM 459 O THR A 28 -19.582 0.931 -1.997 1.00 0.81 O ATOM 460 CB THR A 28 -17.081 1.776 -2.633 1.00 0.64 C ATOM 461 OG1 THR A 28 -17.681 3.033 -2.378 1.00 0.91 O ATOM 462 CG2 THR A 28 -15.644 2.025 -3.030 1.00 0.79 C ATOM 0 H THR A 28 -17.433 1.375 -5.703 1.00 0.65 H new ATOM 0 HA THR A 28 -17.341 0.067 -3.894 1.00 0.61 H new ATOM 0 HB THR A 28 -17.092 1.148 -1.742 1.00 0.64 H new ATOM 0 HG1 THR A 28 -18.619 3.011 -2.661 1.00 0.91 H new ATOM 0 HG21 THR A 28 -15.140 2.583 -2.241 1.00 0.79 H new ATOM 0 HG22 THR A 28 -15.138 1.072 -3.180 1.00 0.79 H new ATOM 0 HG23 THR A 28 -15.617 2.600 -3.955 1.00 0.79 H new ATOM 470 N GLY A 29 -20.089 0.078 -4.024 1.00 0.75 N ATOM 471 CA GLY A 29 -21.450 -0.286 -3.654 1.00 0.80 C ATOM 472 C GLY A 29 -22.127 0.773 -2.800 1.00 0.85 C ATOM 473 O GLY A 29 -22.499 1.837 -3.295 1.00 1.01 O ATOM 0 H GLY A 29 -19.837 -0.151 -4.985 1.00 0.75 H new ATOM 0 HA2 GLY A 29 -22.037 -0.448 -4.558 1.00 0.80 H new ATOM 0 HA3 GLY A 29 -21.434 -1.231 -3.110 1.00 0.80 H new ATOM 477 N GLY A 30 -22.270 0.483 -1.514 1.00 0.83 N ATOM 478 CA GLY A 30 -22.884 1.420 -0.594 1.00 0.89 C ATOM 479 C GLY A 30 -22.021 1.598 0.633 1.00 0.85 C ATOM 480 O GLY A 30 -22.519 1.711 1.753 1.00 0.98 O ATOM 0 H GLY A 30 -21.968 -0.393 -1.088 1.00 0.83 H new ATOM 0 HA2 GLY A 30 -23.028 2.381 -1.087 1.00 0.89 H new ATOM 0 HA3 GLY A 30 -23.871 1.060 -0.303 1.00 0.89 H new ATOM 484 N PHE A 31 -20.712 1.598 0.406 1.00 0.73 N ATOM 485 CA PHE A 31 -19.736 1.732 1.479 1.00 0.69 C ATOM 486 C PHE A 31 -18.893 2.991 1.316 1.00 0.67 C ATOM 487 O PHE A 31 -19.083 3.766 0.379 1.00 0.74 O ATOM 488 CB PHE A 31 -18.804 0.520 1.484 1.00 0.63 C ATOM 489 CG PHE A 31 -19.431 -0.751 0.977 1.00 0.67 C ATOM 490 CD1 PHE A 31 -20.375 -1.424 1.738 1.00 0.79 C ATOM 491 CD2 PHE A 31 -19.076 -1.271 -0.257 1.00 0.64 C ATOM 492 CE1 PHE A 31 -20.953 -2.591 1.277 1.00 0.87 C ATOM 493 CE2 PHE A 31 -19.651 -2.439 -0.723 1.00 0.73 C ATOM 494 CZ PHE A 31 -20.591 -3.097 0.038 1.00 0.83 C ATOM 0 H PHE A 31 -20.300 1.506 -0.523 1.00 0.73 H new ATOM 0 HA PHE A 31 -20.286 1.797 2.418 1.00 0.69 H new ATOM 0 HB2 PHE A 31 -17.930 0.747 0.874 1.00 0.63 H new ATOM 0 HB3 PHE A 31 -18.449 0.355 2.501 1.00 0.63 H new ATOM 0 HD1 PHE A 31 -20.662 -1.031 2.702 1.00 0.79 H new ATOM 0 HD2 PHE A 31 -18.342 -0.759 -0.862 1.00 0.64 H new ATOM 0 HE1 PHE A 31 -21.685 -3.108 1.880 1.00 0.87 H new ATOM 0 HE2 PHE A 31 -19.362 -2.836 -1.685 1.00 0.73 H new ATOM 0 HZ PHE A 31 -21.045 -4.005 -0.329 1.00 0.83 H new ATOM 504 N LYS A 32 -17.953 3.177 2.240 1.00 0.68 N ATOM 505 CA LYS A 32 -17.065 4.337 2.208 1.00 0.72 C ATOM 506 C LYS A 32 -15.623 3.981 2.603 1.00 0.66 C ATOM 507 O LYS A 32 -14.758 4.855 2.619 1.00 0.74 O ATOM 508 CB LYS A 32 -17.597 5.425 3.139 1.00 0.86 C ATOM 509 CG LYS A 32 -17.533 5.050 4.611 1.00 1.38 C ATOM 510 CD LYS A 32 -17.016 6.202 5.456 1.00 1.38 C ATOM 511 CE LYS A 32 -15.498 6.257 5.453 1.00 1.50 C ATOM 512 NZ LYS A 32 -14.983 7.366 4.604 1.00 2.26 N ATOM 0 H LYS A 32 -17.787 2.540 3.019 1.00 0.68 H new ATOM 0 HA LYS A 32 -17.044 4.699 1.180 1.00 0.72 H new ATOM 0 HB2 LYS A 32 -17.025 6.339 2.980 1.00 0.86 H new ATOM 0 HB3 LYS A 32 -18.631 5.646 2.873 1.00 0.86 H new ATOM 0 HG2 LYS A 32 -18.525 4.760 4.957 1.00 1.38 H new ATOM 0 HG3 LYS A 32 -16.884 4.183 4.739 1.00 1.38 H new ATOM 0 HD2 LYS A 32 -17.416 7.142 5.075 1.00 1.38 H new ATOM 0 HD3 LYS A 32 -17.375 6.094 6.479 1.00 1.38 H new ATOM 0 HE2 LYS A 32 -15.138 6.384 6.474 1.00 1.50 H new ATOM 0 HE3 LYS A 32 -15.101 5.309 5.091 1.00 1.50 H new ATOM 0 HZ1 LYS A 32 -13.971 7.510 4.798 1.00 2.26 H new ATOM 0 HZ2 LYS A 32 -15.112 7.124 3.601 1.00 2.26 H new ATOM 0 HZ3 LYS A 32 -15.505 8.239 4.820 1.00 2.26 H new ATOM 526 N ILE A 33 -15.366 2.708 2.923 1.00 0.67 N ATOM 527 CA ILE A 33 -14.031 2.261 3.319 1.00 0.66 C ATOM 528 C ILE A 33 -13.507 3.057 4.513 1.00 0.80 C ATOM 529 O ILE A 33 -13.313 4.268 4.430 1.00 1.71 O ATOM 530 CB ILE A 33 -13.022 2.364 2.162 1.00 0.59 C ATOM 531 CG1 ILE A 33 -13.587 1.700 0.901 1.00 0.79 C ATOM 532 CG2 ILE A 33 -11.700 1.725 2.569 1.00 0.58 C ATOM 533 CD1 ILE A 33 -12.585 1.568 -0.227 1.00 0.91 C ATOM 0 H ILE A 33 -16.069 1.969 2.915 1.00 0.67 H new ATOM 0 HA ILE A 33 -14.132 1.213 3.602 1.00 0.66 H new ATOM 0 HB ILE A 33 -12.843 3.415 1.937 1.00 0.59 H new ATOM 0 HG12 ILE A 33 -13.959 0.709 1.160 1.00 0.79 H new ATOM 0 HG13 ILE A 33 -14.441 2.279 0.549 1.00 0.79 H new ATOM 0 HG21 ILE A 33 -10.990 1.801 1.745 1.00 0.58 H new ATOM 0 HG22 ILE A 33 -11.300 2.241 3.442 1.00 0.58 H new ATOM 0 HG23 ILE A 33 -11.863 0.675 2.811 1.00 0.58 H new ATOM 0 HD11 ILE A 33 -13.061 1.089 -1.083 1.00 0.91 H new ATOM 0 HD12 ILE A 33 -12.230 2.557 -0.516 1.00 0.91 H new ATOM 0 HD13 ILE A 33 -11.741 0.963 0.105 1.00 0.91 H new ATOM 545 N THR A 34 -13.280 2.369 5.626 1.00 0.72 N ATOM 546 CA THR A 34 -12.785 3.024 6.832 1.00 0.73 C ATOM 547 C THR A 34 -11.380 2.548 7.194 1.00 0.59 C ATOM 548 O THR A 34 -10.970 2.634 8.351 1.00 0.76 O ATOM 549 CB THR A 34 -13.740 2.771 7.998 1.00 0.99 C ATOM 550 OG1 THR A 34 -13.695 1.414 8.401 1.00 1.09 O ATOM 551 CG2 THR A 34 -15.179 3.105 7.675 1.00 1.15 C ATOM 0 H THR A 34 -13.429 1.364 5.719 1.00 0.72 H new ATOM 0 HA THR A 34 -12.734 4.094 6.632 1.00 0.73 H new ATOM 0 HB THR A 34 -13.400 3.431 8.796 1.00 0.99 H new ATOM 0 HG1 THR A 34 -14.312 1.274 9.149 1.00 1.09 H new ATOM 0 HG21 THR A 34 -15.804 2.903 8.545 1.00 1.15 H new ATOM 0 HG22 THR A 34 -15.257 4.159 7.410 1.00 1.15 H new ATOM 0 HG23 THR A 34 -15.515 2.494 6.837 1.00 1.15 H new ATOM 559 N SER A 35 -10.644 2.052 6.204 1.00 0.49 N ATOM 560 CA SER A 35 -9.285 1.571 6.435 1.00 0.47 C ATOM 561 C SER A 35 -8.666 1.020 5.155 1.00 0.45 C ATOM 562 O SER A 35 -9.308 0.276 4.413 1.00 0.72 O ATOM 563 CB SER A 35 -9.279 0.488 7.516 1.00 0.64 C ATOM 564 OG SER A 35 -7.970 -0.007 7.734 1.00 1.58 O ATOM 0 H SER A 35 -10.963 1.973 5.239 1.00 0.49 H new ATOM 0 HA SER A 35 -8.688 2.419 6.769 1.00 0.47 H new ATOM 0 HB2 SER A 35 -9.677 0.895 8.446 1.00 0.64 H new ATOM 0 HB3 SER A 35 -9.936 -0.330 7.220 1.00 0.64 H new ATOM 0 HG SER A 35 -7.993 -0.696 8.430 1.00 1.58 H new ATOM 570 N TYR A 36 -7.414 1.389 4.903 1.00 0.27 N ATOM 571 CA TYR A 36 -6.708 0.926 3.715 1.00 0.28 C ATOM 572 C TYR A 36 -5.432 0.179 4.094 1.00 0.33 C ATOM 573 O TYR A 36 -4.420 0.795 4.426 1.00 0.68 O ATOM 574 CB TYR A 36 -6.345 2.105 2.805 1.00 0.29 C ATOM 575 CG TYR A 36 -7.511 2.999 2.442 1.00 0.33 C ATOM 576 CD1 TYR A 36 -8.549 2.527 1.649 1.00 0.53 C ATOM 577 CD2 TYR A 36 -7.578 4.309 2.899 1.00 0.57 C ATOM 578 CE1 TYR A 36 -9.620 3.336 1.319 1.00 0.64 C ATOM 579 CE2 TYR A 36 -8.646 5.125 2.573 1.00 0.67 C ATOM 580 CZ TYR A 36 -9.644 4.652 1.764 1.00 0.60 C ATOM 581 OH TYR A 36 -10.727 5.442 1.457 1.00 0.76 O ATOM 0 H TYR A 36 -6.869 2.006 5.505 1.00 0.27 H new ATOM 0 HA TYR A 36 -7.375 0.248 3.182 1.00 0.28 H new ATOM 0 HB2 TYR A 36 -5.582 2.707 3.298 1.00 0.29 H new ATOM 0 HB3 TYR A 36 -5.902 1.717 1.888 1.00 0.29 H new ATOM 0 HD1 TYR A 36 -8.519 1.511 1.284 1.00 0.53 H new ATOM 0 HD2 TYR A 36 -6.783 4.697 3.519 1.00 0.57 H new ATOM 0 HE1 TYR A 36 -10.431 2.949 0.720 1.00 0.64 H new ATOM 0 HE2 TYR A 36 -8.693 6.134 2.956 1.00 0.67 H new ATOM 0 HH TYR A 36 -10.599 6.336 1.838 1.00 0.76 H new ATOM 591 N ILE A 37 -5.481 -1.147 4.033 1.00 0.24 N ATOM 592 CA ILE A 37 -4.321 -1.968 4.360 1.00 0.26 C ATOM 593 C ILE A 37 -3.356 -2.002 3.182 1.00 0.33 C ATOM 594 O ILE A 37 -3.777 -2.065 2.027 1.00 0.70 O ATOM 595 CB ILE A 37 -4.715 -3.413 4.728 1.00 0.36 C ATOM 596 CG1 ILE A 37 -6.051 -3.438 5.479 1.00 0.41 C ATOM 597 CG2 ILE A 37 -3.622 -4.056 5.568 1.00 0.46 C ATOM 598 CD1 ILE A 37 -6.408 -4.801 6.031 1.00 1.14 C ATOM 0 H ILE A 37 -6.310 -1.676 3.761 1.00 0.24 H new ATOM 0 HA ILE A 37 -3.843 -1.515 5.229 1.00 0.26 H new ATOM 0 HB ILE A 37 -4.832 -3.984 3.807 1.00 0.36 H new ATOM 0 HG12 ILE A 37 -6.011 -2.722 6.300 1.00 0.41 H new ATOM 0 HG13 ILE A 37 -6.843 -3.108 4.807 1.00 0.41 H new ATOM 0 HG21 ILE A 37 -3.911 -5.076 5.822 1.00 0.46 H new ATOM 0 HG22 ILE A 37 -2.691 -4.073 5.002 1.00 0.46 H new ATOM 0 HG23 ILE A 37 -3.480 -3.481 6.483 1.00 0.46 H new ATOM 0 HD11 ILE A 37 -7.365 -4.744 6.550 1.00 1.14 H new ATOM 0 HD12 ILE A 37 -6.481 -5.517 5.213 1.00 1.14 H new ATOM 0 HD13 ILE A 37 -5.636 -5.125 6.729 1.00 1.14 H new ATOM 610 N VAL A 38 -2.063 -1.953 3.475 1.00 0.36 N ATOM 611 CA VAL A 38 -1.053 -1.969 2.423 1.00 0.42 C ATOM 612 C VAL A 38 -0.227 -3.247 2.449 1.00 0.35 C ATOM 613 O VAL A 38 0.647 -3.413 3.301 1.00 0.48 O ATOM 614 CB VAL A 38 -0.084 -0.770 2.527 1.00 0.63 C ATOM 615 CG1 VAL A 38 0.444 -0.404 1.148 1.00 0.51 C ATOM 616 CG2 VAL A 38 -0.747 0.430 3.188 1.00 0.46 C ATOM 0 H VAL A 38 -1.690 -1.902 4.423 1.00 0.36 H new ATOM 0 HA VAL A 38 -1.608 -1.908 1.487 1.00 0.42 H new ATOM 0 HB VAL A 38 0.754 -1.066 3.158 1.00 0.63 H new ATOM 0 HG11 VAL A 38 1.126 0.442 1.232 1.00 0.51 H new ATOM 0 HG12 VAL A 38 0.974 -1.256 0.723 1.00 0.51 H new ATOM 0 HG13 VAL A 38 -0.389 -0.135 0.499 1.00 0.51 H new ATOM 0 HG21 VAL A 38 -0.035 1.254 3.244 1.00 0.46 H new ATOM 0 HG22 VAL A 38 -1.612 0.737 2.600 1.00 0.46 H new ATOM 0 HG23 VAL A 38 -1.069 0.160 4.194 1.00 0.46 H new ATOM 626 N GLU A 39 -0.490 -4.137 1.501 1.00 0.30 N ATOM 627 CA GLU A 39 0.253 -5.383 1.410 1.00 0.33 C ATOM 628 C GLU A 39 1.631 -5.095 0.828 1.00 0.32 C ATOM 629 O GLU A 39 1.790 -4.150 0.055 1.00 0.43 O ATOM 630 CB GLU A 39 -0.496 -6.397 0.543 1.00 0.42 C ATOM 631 CG GLU A 39 -1.608 -7.122 1.283 1.00 0.51 C ATOM 632 CD GLU A 39 -2.478 -7.951 0.359 1.00 0.92 C ATOM 633 OE1 GLU A 39 -2.242 -7.918 -0.867 1.00 1.67 O ATOM 634 OE2 GLU A 39 -3.395 -8.635 0.862 1.00 1.52 O ATOM 0 H GLU A 39 -1.210 -4.018 0.788 1.00 0.30 H new ATOM 0 HA GLU A 39 0.361 -5.814 2.405 1.00 0.33 H new ATOM 0 HB2 GLU A 39 -0.919 -5.883 -0.320 1.00 0.42 H new ATOM 0 HB3 GLU A 39 0.214 -7.131 0.160 1.00 0.42 H new ATOM 0 HG2 GLU A 39 -1.171 -7.770 2.043 1.00 0.51 H new ATOM 0 HG3 GLU A 39 -2.229 -6.393 1.804 1.00 0.51 H new ATOM 641 N LYS A 40 2.629 -5.889 1.199 1.00 0.28 N ATOM 642 CA LYS A 40 3.980 -5.668 0.697 1.00 0.31 C ATOM 643 C LYS A 40 4.616 -6.948 0.175 1.00 0.29 C ATOM 644 O LYS A 40 4.384 -8.036 0.701 1.00 0.35 O ATOM 645 CB LYS A 40 4.871 -5.057 1.787 1.00 0.43 C ATOM 646 CG LYS A 40 4.771 -5.760 3.132 1.00 0.92 C ATOM 647 CD LYS A 40 6.149 -6.018 3.725 1.00 1.14 C ATOM 648 CE LYS A 40 6.153 -5.857 5.237 1.00 1.65 C ATOM 649 NZ LYS A 40 6.131 -7.170 5.940 1.00 1.97 N ATOM 0 H LYS A 40 2.532 -6.680 1.836 1.00 0.28 H new ATOM 0 HA LYS A 40 3.896 -4.971 -0.137 1.00 0.31 H new ATOM 0 HB2 LYS A 40 5.908 -5.082 1.451 1.00 0.43 H new ATOM 0 HB3 LYS A 40 4.603 -4.008 1.916 1.00 0.43 H new ATOM 0 HG2 LYS A 40 4.185 -5.151 3.820 1.00 0.92 H new ATOM 0 HG3 LYS A 40 4.241 -6.705 3.012 1.00 0.92 H new ATOM 0 HD2 LYS A 40 6.473 -7.026 3.466 1.00 1.14 H new ATOM 0 HD3 LYS A 40 6.869 -5.329 3.284 1.00 1.14 H new ATOM 0 HE2 LYS A 40 7.039 -5.299 5.539 1.00 1.65 H new ATOM 0 HE3 LYS A 40 5.287 -5.269 5.541 1.00 1.65 H new ATOM 0 HZ1 LYS A 40 6.135 -7.013 6.968 1.00 1.97 H new ATOM 0 HZ2 LYS A 40 5.273 -7.693 5.672 1.00 1.97 H new ATOM 0 HZ3 LYS A 40 6.970 -7.722 5.671 1.00 1.97 H new ATOM 663 N ARG A 41 5.430 -6.792 -0.863 1.00 0.36 N ATOM 664 CA ARG A 41 6.130 -7.912 -1.472 1.00 0.40 C ATOM 665 C ARG A 41 7.633 -7.672 -1.406 1.00 0.41 C ATOM 666 O ARG A 41 8.175 -6.852 -2.155 1.00 0.43 O ATOM 667 CB ARG A 41 5.690 -8.099 -2.928 1.00 0.46 C ATOM 668 CG ARG A 41 6.503 -9.143 -3.678 1.00 0.58 C ATOM 669 CD ARG A 41 5.680 -9.838 -4.751 1.00 0.88 C ATOM 670 NE ARG A 41 5.520 -9.011 -5.944 1.00 0.95 N ATOM 671 CZ ARG A 41 5.106 -9.483 -7.115 1.00 1.13 C ATOM 672 NH1 ARG A 41 4.809 -10.767 -7.247 1.00 1.44 N ATOM 673 NH2 ARG A 41 4.984 -8.667 -8.153 1.00 1.44 N ATOM 0 H ARG A 41 5.621 -5.891 -1.302 1.00 0.36 H new ATOM 0 HA ARG A 41 5.884 -8.820 -0.922 1.00 0.40 H new ATOM 0 HB2 ARG A 41 4.639 -8.386 -2.948 1.00 0.46 H new ATOM 0 HB3 ARG A 41 5.770 -7.145 -3.449 1.00 0.46 H new ATOM 0 HG2 ARG A 41 7.370 -8.668 -4.136 1.00 0.58 H new ATOM 0 HG3 ARG A 41 6.881 -9.884 -2.973 1.00 0.58 H new ATOM 0 HD2 ARG A 41 6.161 -10.778 -5.024 1.00 0.88 H new ATOM 0 HD3 ARG A 41 4.698 -10.087 -4.349 1.00 0.88 H new ATOM 0 HE ARG A 41 5.738 -8.017 -5.875 1.00 0.95 H new ATOM 0 HH11 ARG A 41 4.898 -11.396 -6.449 1.00 1.44 H new ATOM 0 HH12 ARG A 41 4.491 -11.127 -8.147 1.00 1.44 H new ATOM 0 HH21 ARG A 41 5.208 -7.677 -8.053 1.00 1.44 H new ATOM 0 HH22 ARG A 41 4.666 -9.029 -9.052 1.00 1.44 H new ATOM 687 N ASP A 42 8.296 -8.386 -0.498 1.00 0.50 N ATOM 688 CA ASP A 42 9.737 -8.257 -0.320 1.00 0.57 C ATOM 689 C ASP A 42 10.474 -8.835 -1.515 1.00 0.62 C ATOM 690 O ASP A 42 10.919 -9.979 -1.491 1.00 0.91 O ATOM 691 CB ASP A 42 10.182 -8.965 0.957 1.00 0.71 C ATOM 692 CG ASP A 42 9.022 -9.595 1.703 1.00 0.93 C ATOM 693 OD1 ASP A 42 7.878 -9.502 1.212 1.00 1.59 O ATOM 694 OD2 ASP A 42 9.259 -10.181 2.781 1.00 1.49 O ATOM 0 H ASP A 42 7.855 -9.061 0.126 1.00 0.50 H new ATOM 0 HA ASP A 42 9.977 -7.197 -0.238 1.00 0.57 H new ATOM 0 HB2 ASP A 42 10.911 -9.736 0.707 1.00 0.71 H new ATOM 0 HB3 ASP A 42 10.685 -8.251 1.609 1.00 0.71 H new ATOM 699 N LEU A 43 10.595 -8.035 -2.556 1.00 0.63 N ATOM 700 CA LEU A 43 11.274 -8.461 -3.771 1.00 0.68 C ATOM 701 C LEU A 43 12.733 -8.810 -3.486 1.00 0.81 C ATOM 702 O LEU A 43 13.347 -8.246 -2.581 1.00 0.90 O ATOM 703 CB LEU A 43 11.179 -7.368 -4.833 1.00 0.62 C ATOM 704 CG LEU A 43 9.773 -6.801 -5.036 1.00 0.64 C ATOM 705 CD1 LEU A 43 9.836 -5.336 -5.426 1.00 0.80 C ATOM 706 CD2 LEU A 43 9.019 -7.598 -6.083 1.00 0.70 C ATOM 0 H LEU A 43 10.232 -7.082 -2.588 1.00 0.63 H new ATOM 0 HA LEU A 43 10.783 -9.359 -4.146 1.00 0.68 H new ATOM 0 HB2 LEU A 43 11.849 -6.553 -4.559 1.00 0.62 H new ATOM 0 HB3 LEU A 43 11.536 -7.769 -5.782 1.00 0.62 H new ATOM 0 HG LEU A 43 9.235 -6.881 -4.091 1.00 0.64 H new ATOM 0 HD11 LEU A 43 8.825 -4.953 -5.565 1.00 0.80 H new ATOM 0 HD12 LEU A 43 10.333 -4.771 -4.638 1.00 0.80 H new ATOM 0 HD13 LEU A 43 10.395 -5.231 -6.356 1.00 0.80 H new ATOM 0 HD21 LEU A 43 8.022 -7.178 -6.212 1.00 0.70 H new ATOM 0 HD22 LEU A 43 9.556 -7.554 -7.030 1.00 0.70 H new ATOM 0 HD23 LEU A 43 8.937 -8.636 -5.761 1.00 0.70 H new ATOM 718 N PRO A 44 13.312 -9.757 -4.252 1.00 0.92 N ATOM 719 CA PRO A 44 12.632 -10.460 -5.343 1.00 0.99 C ATOM 720 C PRO A 44 11.833 -11.676 -4.867 1.00 1.15 C ATOM 721 O PRO A 44 11.505 -12.556 -5.662 1.00 1.43 O ATOM 722 CB PRO A 44 13.787 -10.911 -6.253 1.00 1.15 C ATOM 723 CG PRO A 44 15.058 -10.534 -5.548 1.00 1.25 C ATOM 724 CD PRO A 44 14.693 -10.215 -4.125 1.00 1.08 C ATOM 0 HA PRO A 44 11.900 -9.818 -5.833 1.00 0.99 H new ATOM 0 HB2 PRO A 44 13.745 -11.986 -6.429 1.00 1.15 H new ATOM 0 HB3 PRO A 44 13.725 -10.426 -7.227 1.00 1.15 H new ATOM 0 HG2 PRO A 44 15.778 -11.351 -5.588 1.00 1.25 H new ATOM 0 HG3 PRO A 44 15.525 -9.674 -6.028 1.00 1.25 H new ATOM 0 HD2 PRO A 44 14.774 -11.089 -3.479 1.00 1.08 H new ATOM 0 HD3 PRO A 44 15.339 -9.446 -3.702 1.00 1.08 H new ATOM 732 N ASN A 45 11.524 -11.729 -3.572 1.00 1.14 N ATOM 733 CA ASN A 45 10.765 -12.851 -3.021 1.00 1.33 C ATOM 734 C ASN A 45 9.935 -12.422 -1.812 1.00 1.43 C ATOM 735 O ASN A 45 10.354 -12.598 -0.669 1.00 2.42 O ATOM 736 CB ASN A 45 11.709 -13.990 -2.622 1.00 1.66 C ATOM 737 CG ASN A 45 12.885 -14.134 -3.570 1.00 1.93 C ATOM 738 OD1 ASN A 45 12.840 -14.919 -4.516 1.00 2.66 O ATOM 739 ND2 ASN A 45 13.946 -13.376 -3.316 1.00 1.89 N ATOM 0 H ASN A 45 11.784 -11.016 -2.891 1.00 1.14 H new ATOM 0 HA ASN A 45 10.084 -13.201 -3.797 1.00 1.33 H new ATOM 0 HB2 ASN A 45 12.081 -13.812 -1.613 1.00 1.66 H new ATOM 0 HB3 ASN A 45 11.152 -14.926 -2.596 1.00 1.66 H new ATOM 0 HD21 ASN A 45 14.768 -13.431 -3.917 1.00 1.89 H new ATOM 0 HD22 ASN A 45 13.939 -12.739 -2.520 1.00 1.89 H new ATOM 746 N GLY A 46 8.757 -11.861 -2.072 1.00 0.90 N ATOM 747 CA GLY A 46 7.889 -11.418 -0.994 1.00 1.12 C ATOM 748 C GLY A 46 6.726 -12.363 -0.759 1.00 0.76 C ATOM 749 O GLY A 46 6.701 -13.470 -1.298 1.00 0.96 O ATOM 0 H GLY A 46 8.388 -11.705 -3.010 1.00 0.90 H new ATOM 0 HA2 GLY A 46 8.471 -11.328 -0.077 1.00 1.12 H new ATOM 0 HA3 GLY A 46 7.505 -10.425 -1.226 1.00 1.12 H new ATOM 753 N ARG A 47 5.762 -11.931 0.050 1.00 0.80 N ATOM 754 CA ARG A 47 4.592 -12.758 0.354 1.00 0.76 C ATOM 755 C ARG A 47 3.305 -11.929 0.388 1.00 0.85 C ATOM 756 O ARG A 47 2.252 -12.429 0.785 1.00 1.71 O ATOM 757 CB ARG A 47 4.764 -13.489 1.697 1.00 0.99 C ATOM 758 CG ARG A 47 6.141 -13.338 2.332 1.00 1.31 C ATOM 759 CD ARG A 47 6.387 -11.909 2.788 1.00 1.11 C ATOM 760 NE ARG A 47 7.007 -11.852 4.110 1.00 1.41 N ATOM 761 CZ ARG A 47 6.365 -12.143 5.237 1.00 1.71 C ATOM 762 NH1 ARG A 47 5.092 -12.510 5.203 1.00 2.41 N ATOM 763 NH2 ARG A 47 6.997 -12.066 6.401 1.00 2.03 N ATOM 0 H ARG A 47 5.765 -11.019 0.506 1.00 0.80 H new ATOM 0 HA ARG A 47 4.510 -13.493 -0.447 1.00 0.76 H new ATOM 0 HB2 ARG A 47 4.014 -13.118 2.396 1.00 0.99 H new ATOM 0 HB3 ARG A 47 4.563 -14.550 1.546 1.00 0.99 H new ATOM 0 HG2 ARG A 47 6.227 -14.013 3.183 1.00 1.31 H new ATOM 0 HG3 ARG A 47 6.908 -13.630 1.615 1.00 1.31 H new ATOM 0 HD2 ARG A 47 7.028 -11.404 2.066 1.00 1.11 H new ATOM 0 HD3 ARG A 47 5.441 -11.368 2.808 1.00 1.11 H new ATOM 0 HE ARG A 47 7.986 -11.574 4.171 1.00 1.41 H new ATOM 0 HH11 ARG A 47 4.602 -12.570 4.310 1.00 2.41 H new ATOM 0 HH12 ARG A 47 4.602 -12.733 6.070 1.00 2.41 H new ATOM 0 HH21 ARG A 47 7.977 -11.783 6.432 1.00 2.03 H new ATOM 0 HH22 ARG A 47 6.503 -12.290 7.265 1.00 2.03 H new ATOM 777 N TRP A 48 3.387 -10.667 -0.028 1.00 0.50 N ATOM 778 CA TRP A 48 2.222 -9.793 -0.037 1.00 0.43 C ATOM 779 C TRP A 48 1.540 -9.779 1.327 1.00 0.45 C ATOM 780 O TRP A 48 0.458 -10.342 1.494 1.00 0.65 O ATOM 781 CB TRP A 48 1.227 -10.243 -1.105 1.00 0.47 C ATOM 782 CG TRP A 48 1.702 -9.997 -2.502 1.00 0.45 C ATOM 783 CD1 TRP A 48 1.755 -10.904 -3.521 1.00 0.52 C ATOM 784 CD2 TRP A 48 2.194 -8.763 -3.036 1.00 0.39 C ATOM 785 NE1 TRP A 48 2.250 -10.308 -4.655 1.00 0.50 N ATOM 786 CE2 TRP A 48 2.525 -8.997 -4.382 1.00 0.42 C ATOM 787 CE3 TRP A 48 2.387 -7.482 -2.509 1.00 0.36 C ATOM 788 CZ2 TRP A 48 3.037 -8.002 -5.206 1.00 0.41 C ATOM 789 CZ3 TRP A 48 2.895 -6.495 -3.330 1.00 0.36 C ATOM 790 CH2 TRP A 48 3.214 -6.761 -4.667 1.00 0.38 C ATOM 0 H TRP A 48 4.246 -10.230 -0.362 1.00 0.50 H new ATOM 0 HA TRP A 48 2.563 -8.783 -0.267 1.00 0.43 H new ATOM 0 HB2 TRP A 48 1.027 -11.307 -0.979 1.00 0.47 H new ATOM 0 HB3 TRP A 48 0.282 -9.721 -0.953 1.00 0.47 H new ATOM 0 HD1 TRP A 48 1.452 -11.938 -3.446 1.00 0.52 H new ATOM 0 HE1 TRP A 48 2.390 -10.768 -5.554 1.00 0.50 H new ATOM 0 HE3 TRP A 48 2.143 -7.269 -1.479 1.00 0.36 H new ATOM 0 HZ2 TRP A 48 3.286 -8.204 -6.237 1.00 0.41 H new ATOM 0 HZ3 TRP A 48 3.049 -5.502 -2.934 1.00 0.36 H new ATOM 0 HH2 TRP A 48 3.608 -5.968 -5.285 1.00 0.38 H new ATOM 801 N LEU A 49 2.176 -9.134 2.297 1.00 0.38 N ATOM 802 CA LEU A 49 1.625 -9.052 3.643 1.00 0.42 C ATOM 803 C LEU A 49 1.408 -7.599 4.056 1.00 0.36 C ATOM 804 O LEU A 49 2.247 -6.736 3.798 1.00 0.39 O ATOM 805 CB LEU A 49 2.549 -9.754 4.639 1.00 0.52 C ATOM 806 CG LEU A 49 1.995 -11.059 5.218 1.00 0.67 C ATOM 807 CD1 LEU A 49 0.755 -10.785 6.054 1.00 1.28 C ATOM 808 CD2 LEU A 49 1.680 -12.044 4.104 1.00 0.84 C ATOM 0 H LEU A 49 3.072 -8.661 2.177 1.00 0.38 H new ATOM 0 HA LEU A 49 0.658 -9.555 3.645 1.00 0.42 H new ATOM 0 HB2 LEU A 49 3.498 -9.965 4.146 1.00 0.52 H new ATOM 0 HB3 LEU A 49 2.762 -9.070 5.460 1.00 0.52 H new ATOM 0 HG LEU A 49 2.755 -11.501 5.863 1.00 0.67 H new ATOM 0 HD11 LEU A 49 0.374 -11.723 6.458 1.00 1.28 H new ATOM 0 HD12 LEU A 49 1.010 -10.114 6.874 1.00 1.28 H new ATOM 0 HD13 LEU A 49 -0.009 -10.322 5.430 1.00 1.28 H new ATOM 0 HD21 LEU A 49 1.287 -12.966 4.534 1.00 0.84 H new ATOM 0 HD22 LEU A 49 0.937 -11.611 3.434 1.00 0.84 H new ATOM 0 HD23 LEU A 49 2.589 -12.263 3.544 1.00 0.84 H new ATOM 820 N LYS A 50 0.274 -7.335 4.694 1.00 0.40 N ATOM 821 CA LYS A 50 -0.061 -5.988 5.141 1.00 0.40 C ATOM 822 C LYS A 50 1.047 -5.403 6.009 1.00 0.47 C ATOM 823 O LYS A 50 1.121 -5.682 7.207 1.00 0.85 O ATOM 824 CB LYS A 50 -1.377 -6.000 5.921 1.00 0.59 C ATOM 825 CG LYS A 50 -1.413 -7.032 7.036 1.00 0.72 C ATOM 826 CD LYS A 50 -2.774 -7.702 7.134 1.00 1.03 C ATOM 827 CE LYS A 50 -3.790 -6.801 7.818 1.00 0.86 C ATOM 828 NZ LYS A 50 -3.780 -6.972 9.298 1.00 1.30 N ATOM 0 H LYS A 50 -0.431 -8.038 4.914 1.00 0.40 H new ATOM 0 HA LYS A 50 -0.171 -5.361 4.256 1.00 0.40 H new ATOM 0 HB2 LYS A 50 -1.547 -5.011 6.347 1.00 0.59 H new ATOM 0 HB3 LYS A 50 -2.197 -6.195 5.230 1.00 0.59 H new ATOM 0 HG2 LYS A 50 -0.647 -7.787 6.859 1.00 0.72 H new ATOM 0 HG3 LYS A 50 -1.174 -6.552 7.985 1.00 0.72 H new ATOM 0 HD2 LYS A 50 -3.127 -7.958 6.135 1.00 1.03 H new ATOM 0 HD3 LYS A 50 -2.682 -8.636 7.689 1.00 1.03 H new ATOM 0 HE2 LYS A 50 -3.576 -5.761 7.572 1.00 0.86 H new ATOM 0 HE3 LYS A 50 -4.786 -7.021 7.434 1.00 0.86 H new ATOM 0 HZ1 LYS A 50 -4.487 -6.340 9.725 1.00 1.30 H new ATOM 0 HZ2 LYS A 50 -4.009 -7.958 9.535 1.00 1.30 H new ATOM 0 HZ3 LYS A 50 -2.837 -6.737 9.668 1.00 1.30 H new ATOM 842 N ALA A 51 1.903 -4.588 5.404 1.00 0.45 N ATOM 843 CA ALA A 51 2.999 -3.963 6.134 1.00 0.63 C ATOM 844 C ALA A 51 2.463 -3.133 7.293 1.00 0.55 C ATOM 845 O ALA A 51 2.905 -3.278 8.433 1.00 0.72 O ATOM 846 CB ALA A 51 3.830 -3.093 5.204 1.00 0.86 C ATOM 0 H ALA A 51 1.860 -4.345 4.414 1.00 0.45 H new ATOM 0 HA ALA A 51 3.637 -4.750 6.536 1.00 0.63 H new ATOM 0 HB1 ALA A 51 4.644 -2.634 5.766 1.00 0.86 H new ATOM 0 HB2 ALA A 51 4.243 -3.707 4.403 1.00 0.86 H new ATOM 0 HB3 ALA A 51 3.200 -2.313 4.776 1.00 0.86 H new ATOM 852 N ASN A 52 1.505 -2.264 6.991 1.00 0.42 N ATOM 853 CA ASN A 52 0.899 -1.408 8.003 1.00 0.43 C ATOM 854 C ASN A 52 0.223 -2.241 9.088 1.00 0.59 C ATOM 855 O ASN A 52 -0.539 -3.162 8.792 1.00 1.60 O ATOM 856 CB ASN A 52 -0.121 -0.465 7.361 1.00 0.38 C ATOM 857 CG ASN A 52 -1.354 -1.194 6.863 1.00 0.96 C ATOM 858 OD1 ASN A 52 -1.270 -2.058 5.991 1.00 2.01 O ATOM 859 ND2 ASN A 52 -2.510 -0.848 7.418 1.00 0.62 N ATOM 0 H ASN A 52 1.131 -2.134 6.051 1.00 0.42 H new ATOM 0 HA ASN A 52 1.691 -0.817 8.463 1.00 0.43 H new ATOM 0 HB2 ASN A 52 -0.419 0.291 8.087 1.00 0.38 H new ATOM 0 HB3 ASN A 52 0.348 0.060 6.528 1.00 0.38 H new ATOM 0 HD21 ASN A 52 -3.374 -1.304 7.124 1.00 0.62 H new ATOM 0 HD22 ASN A 52 -2.534 -0.126 8.138 1.00 0.62 H new ATOM 866 N PHE A 53 0.505 -1.913 10.344 1.00 0.81 N ATOM 867 CA PHE A 53 -0.078 -2.633 11.470 1.00 0.82 C ATOM 868 C PHE A 53 -0.973 -1.716 12.301 1.00 0.84 C ATOM 869 O PHE A 53 -1.111 -1.896 13.511 1.00 1.20 O ATOM 870 CB PHE A 53 1.027 -3.222 12.350 1.00 0.96 C ATOM 871 CG PHE A 53 0.892 -4.702 12.578 1.00 1.15 C ATOM 872 CD1 PHE A 53 -0.358 -5.280 12.738 1.00 1.32 C ATOM 873 CD2 PHE A 53 2.013 -5.514 12.631 1.00 1.68 C ATOM 874 CE1 PHE A 53 -0.485 -6.641 12.948 1.00 1.66 C ATOM 875 CE2 PHE A 53 1.892 -6.874 12.840 1.00 2.08 C ATOM 876 CZ PHE A 53 0.641 -7.439 12.998 1.00 1.96 C ATOM 0 H PHE A 53 1.133 -1.154 10.608 1.00 0.81 H new ATOM 0 HA PHE A 53 -0.690 -3.443 11.074 1.00 0.82 H new ATOM 0 HB2 PHE A 53 1.994 -3.021 11.888 1.00 0.96 H new ATOM 0 HB3 PHE A 53 1.022 -2.713 13.314 1.00 0.96 H new ATOM 0 HD1 PHE A 53 -1.242 -4.661 12.698 1.00 1.32 H new ATOM 0 HD2 PHE A 53 2.994 -5.078 12.507 1.00 1.68 H new ATOM 0 HE1 PHE A 53 -1.464 -7.079 13.073 1.00 1.66 H new ATOM 0 HE2 PHE A 53 2.775 -7.495 12.880 1.00 2.08 H new ATOM 0 HZ PHE A 53 0.544 -8.502 13.160 1.00 1.96 H new ATOM 886 N SER A 54 -1.581 -0.734 11.640 1.00 0.79 N ATOM 887 CA SER A 54 -2.465 0.211 12.316 1.00 0.89 C ATOM 888 C SER A 54 -3.699 0.499 11.465 1.00 0.95 C ATOM 889 O SER A 54 -4.032 -0.268 10.562 1.00 1.89 O ATOM 890 CB SER A 54 -1.721 1.514 12.620 1.00 1.00 C ATOM 891 OG SER A 54 -2.305 2.189 13.722 1.00 1.71 O ATOM 0 H SER A 54 -1.478 -0.572 10.638 1.00 0.79 H new ATOM 0 HA SER A 54 -2.788 -0.238 13.255 1.00 0.89 H new ATOM 0 HB2 SER A 54 -0.675 1.297 12.835 1.00 1.00 H new ATOM 0 HB3 SER A 54 -1.739 2.160 11.742 1.00 1.00 H new ATOM 0 HG SER A 54 -1.811 3.017 13.897 1.00 1.71 H new ATOM 897 N ASN A 55 -4.376 1.604 11.762 1.00 0.75 N ATOM 898 CA ASN A 55 -5.576 1.984 11.023 1.00 0.69 C ATOM 899 C ASN A 55 -5.270 3.071 9.995 1.00 0.66 C ATOM 900 O ASN A 55 -4.917 4.195 10.353 1.00 1.05 O ATOM 901 CB ASN A 55 -6.663 2.468 11.986 1.00 0.84 C ATOM 902 CG ASN A 55 -8.044 1.985 11.592 1.00 1.11 C ATOM 903 OD1 ASN A 55 -8.754 1.376 12.392 1.00 1.87 O ATOM 904 ND2 ASN A 55 -8.431 2.253 10.350 1.00 0.83 N ATOM 0 H ASN A 55 -4.115 2.250 12.507 1.00 0.75 H new ATOM 0 HA ASN A 55 -5.935 1.102 10.492 1.00 0.69 H new ATOM 0 HB2 ASN A 55 -6.433 2.119 12.993 1.00 0.84 H new ATOM 0 HB3 ASN A 55 -6.658 3.558 12.017 1.00 0.84 H new ATOM 0 HD21 ASN A 55 -9.350 1.951 10.026 1.00 0.83 H new ATOM 0 HD22 ASN A 55 -7.809 2.761 9.721 1.00 0.83 H new ATOM 911 N ILE A 56 -5.412 2.726 8.718 1.00 0.40 N ATOM 912 CA ILE A 56 -5.156 3.669 7.634 1.00 0.33 C ATOM 913 C ILE A 56 -6.464 4.239 7.089 1.00 0.31 C ATOM 914 O ILE A 56 -6.969 3.789 6.059 1.00 0.53 O ATOM 915 CB ILE A 56 -4.372 3.000 6.484 1.00 0.32 C ATOM 916 CG1 ILE A 56 -3.086 2.361 7.017 1.00 0.43 C ATOM 917 CG2 ILE A 56 -4.052 4.010 5.393 1.00 0.28 C ATOM 918 CD1 ILE A 56 -2.210 1.763 5.935 1.00 0.69 C ATOM 0 H ILE A 56 -5.703 1.799 8.409 1.00 0.40 H new ATOM 0 HA ILE A 56 -4.555 4.479 8.046 1.00 0.33 H new ATOM 0 HB ILE A 56 -4.996 2.217 6.052 1.00 0.32 H new ATOM 0 HG12 ILE A 56 -2.515 3.114 7.560 1.00 0.43 H new ATOM 0 HG13 ILE A 56 -3.347 1.582 7.733 1.00 0.43 H new ATOM 0 HG21 ILE A 56 -3.499 3.518 4.592 1.00 0.28 H new ATOM 0 HG22 ILE A 56 -4.979 4.421 4.994 1.00 0.28 H new ATOM 0 HG23 ILE A 56 -3.447 4.816 5.809 1.00 0.28 H new ATOM 0 HD11 ILE A 56 -1.318 1.329 6.387 1.00 0.69 H new ATOM 0 HD12 ILE A 56 -2.763 0.987 5.407 1.00 0.69 H new ATOM 0 HD13 ILE A 56 -1.917 2.543 5.232 1.00 0.69 H new ATOM 930 N LEU A 57 -7.012 5.230 7.792 1.00 0.44 N ATOM 931 CA LEU A 57 -8.268 5.861 7.388 1.00 0.45 C ATOM 932 C LEU A 57 -8.128 6.580 6.049 1.00 0.42 C ATOM 933 O LEU A 57 -8.828 6.259 5.089 1.00 0.60 O ATOM 934 CB LEU A 57 -8.734 6.849 8.463 1.00 0.48 C ATOM 935 CG LEU A 57 -10.012 6.447 9.203 1.00 0.85 C ATOM 936 CD1 LEU A 57 -10.397 7.512 10.221 1.00 1.60 C ATOM 937 CD2 LEU A 57 -11.147 6.211 8.218 1.00 0.72 C ATOM 0 H LEU A 57 -6.605 5.613 8.645 1.00 0.44 H new ATOM 0 HA LEU A 57 -9.012 5.073 7.272 1.00 0.45 H new ATOM 0 HB2 LEU A 57 -7.934 6.973 9.193 1.00 0.48 H new ATOM 0 HB3 LEU A 57 -8.893 7.821 7.997 1.00 0.48 H new ATOM 0 HG LEU A 57 -9.823 5.516 9.737 1.00 0.85 H new ATOM 0 HD11 LEU A 57 -11.308 7.209 10.737 1.00 1.60 H new ATOM 0 HD12 LEU A 57 -9.591 7.631 10.946 1.00 1.60 H new ATOM 0 HD13 LEU A 57 -10.568 8.459 9.710 1.00 1.60 H new ATOM 0 HD21 LEU A 57 -12.048 5.926 8.762 1.00 0.72 H new ATOM 0 HD22 LEU A 57 -11.337 7.125 7.656 1.00 0.72 H new ATOM 0 HD23 LEU A 57 -10.871 5.412 7.529 1.00 0.72 H new ATOM 949 N GLU A 58 -7.224 7.552 5.991 1.00 0.39 N ATOM 950 CA GLU A 58 -6.999 8.313 4.771 1.00 0.43 C ATOM 951 C GLU A 58 -6.173 7.507 3.779 1.00 0.51 C ATOM 952 O GLU A 58 -5.591 6.480 4.128 1.00 1.09 O ATOM 953 CB GLU A 58 -6.294 9.630 5.095 1.00 0.44 C ATOM 954 CG GLU A 58 -4.905 9.446 5.680 1.00 0.44 C ATOM 955 CD GLU A 58 -4.875 9.617 7.187 1.00 0.75 C ATOM 956 OE1 GLU A 58 -5.662 8.937 7.878 1.00 1.29 O ATOM 957 OE2 GLU A 58 -4.064 10.432 7.676 1.00 1.54 O ATOM 0 H GLU A 58 -6.636 7.830 6.776 1.00 0.39 H new ATOM 0 HA GLU A 58 -7.966 8.530 4.317 1.00 0.43 H new ATOM 0 HB2 GLU A 58 -6.220 10.227 4.186 1.00 0.44 H new ATOM 0 HB3 GLU A 58 -6.904 10.196 5.799 1.00 0.44 H new ATOM 0 HG2 GLU A 58 -4.537 8.453 5.424 1.00 0.44 H new ATOM 0 HG3 GLU A 58 -4.225 10.165 5.224 1.00 0.44 H new ATOM 964 N ASN A 59 -6.127 7.979 2.541 1.00 0.31 N ATOM 965 CA ASN A 59 -5.371 7.300 1.495 1.00 0.28 C ATOM 966 C ASN A 59 -3.893 7.695 1.521 1.00 0.28 C ATOM 967 O ASN A 59 -3.121 7.281 0.655 1.00 0.49 O ATOM 968 CB ASN A 59 -5.968 7.605 0.123 1.00 0.32 C ATOM 969 CG ASN A 59 -5.951 9.087 -0.201 1.00 0.86 C ATOM 970 OD1 ASN A 59 -5.252 9.867 0.445 1.00 1.75 O ATOM 971 ND2 ASN A 59 -6.724 9.482 -1.206 1.00 0.91 N ATOM 0 H ASN A 59 -6.603 8.828 2.236 1.00 0.31 H new ATOM 0 HA ASN A 59 -5.437 6.229 1.685 1.00 0.28 H new ATOM 0 HB2 ASN A 59 -5.411 7.063 -0.641 1.00 0.32 H new ATOM 0 HB3 ASN A 59 -6.995 7.240 0.088 1.00 0.32 H new ATOM 0 HD21 ASN A 59 -6.754 10.467 -1.469 1.00 0.91 H new ATOM 0 HD22 ASN A 59 -7.287 8.800 -1.714 1.00 0.91 H new ATOM 978 N GLU A 60 -3.499 8.487 2.516 1.00 0.29 N ATOM 979 CA GLU A 60 -2.113 8.919 2.644 1.00 0.29 C ATOM 980 C GLU A 60 -1.418 8.101 3.724 1.00 0.27 C ATOM 981 O GLU A 60 -1.594 8.357 4.915 1.00 0.35 O ATOM 982 CB GLU A 60 -2.045 10.409 2.984 1.00 0.34 C ATOM 983 CG GLU A 60 -0.696 11.041 2.681 1.00 0.49 C ATOM 984 CD GLU A 60 -0.818 12.472 2.195 1.00 1.26 C ATOM 985 OE1 GLU A 60 -1.591 13.243 2.801 1.00 1.91 O ATOM 986 OE2 GLU A 60 -0.140 12.822 1.206 1.00 2.05 O ATOM 0 H GLU A 60 -4.120 8.841 3.243 1.00 0.29 H new ATOM 0 HA GLU A 60 -1.605 8.761 1.693 1.00 0.29 H new ATOM 0 HB2 GLU A 60 -2.818 10.936 2.425 1.00 0.34 H new ATOM 0 HB3 GLU A 60 -2.270 10.542 4.042 1.00 0.34 H new ATOM 0 HG2 GLU A 60 -0.078 11.018 3.579 1.00 0.49 H new ATOM 0 HG3 GLU A 60 -0.182 10.447 1.925 1.00 0.49 H new ATOM 993 N PHE A 61 -0.642 7.108 3.307 1.00 0.24 N ATOM 994 CA PHE A 61 0.056 6.253 4.258 1.00 0.24 C ATOM 995 C PHE A 61 1.527 6.081 3.905 1.00 0.24 C ATOM 996 O PHE A 61 1.948 6.343 2.778 1.00 0.25 O ATOM 997 CB PHE A 61 -0.611 4.879 4.319 1.00 0.28 C ATOM 998 CG PHE A 61 0.047 3.946 5.292 1.00 0.33 C ATOM 999 CD1 PHE A 61 -0.316 3.956 6.629 1.00 0.41 C ATOM 1000 CD2 PHE A 61 1.025 3.058 4.873 1.00 0.37 C ATOM 1001 CE1 PHE A 61 0.280 3.099 7.528 1.00 0.48 C ATOM 1002 CE2 PHE A 61 1.627 2.197 5.771 1.00 0.44 C ATOM 1003 CZ PHE A 61 1.278 2.221 7.088 1.00 0.48 C ATOM 0 H PHE A 61 -0.481 6.877 2.327 1.00 0.24 H new ATOM 0 HA PHE A 61 -0.002 6.742 5.230 1.00 0.24 H new ATOM 0 HB2 PHE A 61 -1.658 5.002 4.595 1.00 0.28 H new ATOM 0 HB3 PHE A 61 -0.594 4.430 3.326 1.00 0.28 H new ATOM 0 HD1 PHE A 61 -1.075 4.644 6.971 1.00 0.41 H new ATOM 0 HD2 PHE A 61 1.320 3.039 3.834 1.00 0.37 H new ATOM 0 HE1 PHE A 61 -0.021 3.104 8.565 1.00 0.48 H new ATOM 0 HE2 PHE A 61 2.378 1.501 5.427 1.00 0.44 H new ATOM 0 HZ PHE A 61 1.770 1.565 7.791 1.00 0.48 H new ATOM 1013 N THR A 62 2.295 5.623 4.886 1.00 0.25 N ATOM 1014 CA THR A 62 3.716 5.389 4.713 1.00 0.27 C ATOM 1015 C THR A 62 4.085 4.012 5.243 1.00 0.29 C ATOM 1016 O THR A 62 3.811 3.688 6.398 1.00 0.35 O ATOM 1017 CB THR A 62 4.532 6.470 5.425 1.00 0.33 C ATOM 1018 OG1 THR A 62 4.140 7.760 4.995 1.00 0.42 O ATOM 1019 CG2 THR A 62 6.023 6.345 5.197 1.00 0.37 C ATOM 0 H THR A 62 1.948 5.405 5.820 1.00 0.25 H new ATOM 0 HA THR A 62 3.948 5.432 3.649 1.00 0.27 H new ATOM 0 HB THR A 62 4.330 6.329 6.487 1.00 0.33 H new ATOM 0 HG1 THR A 62 4.906 8.215 4.587 1.00 0.42 H new ATOM 0 HG21 THR A 62 6.541 7.143 5.730 1.00 0.37 H new ATOM 0 HG22 THR A 62 6.368 5.379 5.566 1.00 0.37 H new ATOM 0 HG23 THR A 62 6.236 6.423 4.131 1.00 0.37 H new ATOM 1027 N VAL A 63 4.700 3.200 4.393 1.00 0.31 N ATOM 1028 CA VAL A 63 5.090 1.856 4.787 1.00 0.36 C ATOM 1029 C VAL A 63 6.417 1.864 5.533 1.00 0.38 C ATOM 1030 O VAL A 63 7.487 1.835 4.926 1.00 0.50 O ATOM 1031 CB VAL A 63 5.186 0.927 3.570 1.00 0.44 C ATOM 1032 CG1 VAL A 63 5.268 -0.522 4.015 1.00 1.08 C ATOM 1033 CG2 VAL A 63 3.991 1.145 2.662 1.00 0.58 C ATOM 0 H VAL A 63 4.938 3.448 3.433 1.00 0.31 H new ATOM 0 HA VAL A 63 4.315 1.479 5.455 1.00 0.36 H new ATOM 0 HB VAL A 63 6.094 1.161 3.014 1.00 0.44 H new ATOM 0 HG11 VAL A 63 5.336 -1.168 3.140 1.00 1.08 H new ATOM 0 HG12 VAL A 63 6.151 -0.662 4.638 1.00 1.08 H new ATOM 0 HG13 VAL A 63 4.376 -0.778 4.587 1.00 1.08 H new ATOM 0 HG21 VAL A 63 4.064 0.483 1.799 1.00 0.58 H new ATOM 0 HG22 VAL A 63 3.074 0.928 3.209 1.00 0.58 H new ATOM 0 HG23 VAL A 63 3.975 2.181 2.324 1.00 0.58 H new ATOM 1043 N SER A 64 6.332 1.911 6.856 1.00 0.49 N ATOM 1044 CA SER A 64 7.521 1.929 7.703 1.00 0.55 C ATOM 1045 C SER A 64 7.968 0.513 8.051 1.00 0.63 C ATOM 1046 O SER A 64 7.220 -0.448 7.871 1.00 0.99 O ATOM 1047 CB SER A 64 7.248 2.720 8.984 1.00 0.63 C ATOM 1048 OG SER A 64 5.937 2.478 9.463 1.00 1.33 O ATOM 0 H SER A 64 5.450 1.937 7.368 1.00 0.49 H new ATOM 0 HA SER A 64 8.323 2.415 7.147 1.00 0.55 H new ATOM 0 HB2 SER A 64 7.975 2.443 9.748 1.00 0.63 H new ATOM 0 HB3 SER A 64 7.378 3.785 8.792 1.00 0.63 H new ATOM 0 HG SER A 64 5.788 2.994 10.283 1.00 1.33 H new ATOM 1054 N GLY A 65 9.194 0.394 8.550 1.00 0.71 N ATOM 1055 CA GLY A 65 9.722 -0.907 8.915 1.00 0.78 C ATOM 1056 C GLY A 65 10.330 -1.645 7.735 1.00 0.72 C ATOM 1057 O GLY A 65 10.680 -2.820 7.849 1.00 0.90 O ATOM 0 H GLY A 65 9.831 1.175 8.708 1.00 0.71 H new ATOM 0 HA2 GLY A 65 10.479 -0.783 9.690 1.00 0.78 H new ATOM 0 HA3 GLY A 65 8.923 -1.512 9.344 1.00 0.78 H new ATOM 1061 N LEU A 66 10.459 -0.959 6.598 1.00 0.64 N ATOM 1062 CA LEU A 66 11.030 -1.568 5.404 1.00 0.65 C ATOM 1063 C LEU A 66 12.446 -2.063 5.674 1.00 0.59 C ATOM 1064 O LEU A 66 12.932 -2.008 6.804 1.00 0.65 O ATOM 1065 CB LEU A 66 11.045 -0.562 4.248 1.00 0.74 C ATOM 1066 CG LEU A 66 9.677 0.004 3.860 1.00 0.89 C ATOM 1067 CD1 LEU A 66 9.807 1.457 3.420 1.00 0.89 C ATOM 1068 CD2 LEU A 66 9.044 -0.837 2.762 1.00 1.47 C ATOM 0 H LEU A 66 10.176 0.014 6.483 1.00 0.64 H new ATOM 0 HA LEU A 66 10.408 -2.420 5.129 1.00 0.65 H new ATOM 0 HB2 LEU A 66 11.700 0.266 4.517 1.00 0.74 H new ATOM 0 HB3 LEU A 66 11.482 -1.044 3.374 1.00 0.74 H new ATOM 0 HG LEU A 66 9.027 -0.032 4.734 1.00 0.89 H new ATOM 0 HD11 LEU A 66 8.825 1.844 3.148 1.00 0.89 H new ATOM 0 HD12 LEU A 66 10.216 2.050 4.238 1.00 0.89 H new ATOM 0 HD13 LEU A 66 10.473 1.518 2.559 1.00 0.89 H new ATOM 0 HD21 LEU A 66 8.072 -0.420 2.499 1.00 1.47 H new ATOM 0 HD22 LEU A 66 9.690 -0.835 1.884 1.00 1.47 H new ATOM 0 HD23 LEU A 66 8.916 -1.860 3.115 1.00 1.47 H new ATOM 1080 N THR A 67 13.103 -2.545 4.625 1.00 0.65 N ATOM 1081 CA THR A 67 14.467 -3.049 4.740 1.00 0.69 C ATOM 1082 C THR A 67 15.347 -2.458 3.647 1.00 0.72 C ATOM 1083 O THR A 67 14.963 -2.426 2.478 1.00 1.06 O ATOM 1084 CB THR A 67 14.482 -4.575 4.652 1.00 0.75 C ATOM 1085 OG1 THR A 67 13.558 -5.139 5.564 1.00 0.96 O ATOM 1086 CG2 THR A 67 15.840 -5.179 4.939 1.00 0.99 C ATOM 0 H THR A 67 12.713 -2.597 3.684 1.00 0.65 H new ATOM 0 HA THR A 67 14.862 -2.748 5.711 1.00 0.69 H new ATOM 0 HB THR A 67 14.211 -4.807 3.622 1.00 0.75 H new ATOM 0 HG1 THR A 67 12.835 -5.577 5.068 1.00 0.96 H new ATOM 0 HG21 THR A 67 15.780 -6.264 4.860 1.00 0.99 H new ATOM 0 HG22 THR A 67 16.566 -4.802 4.218 1.00 0.99 H new ATOM 0 HG23 THR A 67 16.154 -4.906 5.946 1.00 0.99 H new ATOM 1094 N GLU A 68 16.526 -1.985 4.033 1.00 0.66 N ATOM 1095 CA GLU A 68 17.451 -1.392 3.078 1.00 0.67 C ATOM 1096 C GLU A 68 18.054 -2.453 2.165 1.00 0.60 C ATOM 1097 O GLU A 68 18.214 -3.608 2.559 1.00 0.69 O ATOM 1098 CB GLU A 68 18.560 -0.633 3.806 1.00 0.76 C ATOM 1099 CG GLU A 68 19.105 0.540 3.010 1.00 0.96 C ATOM 1100 CD GLU A 68 20.467 0.995 3.499 1.00 1.32 C ATOM 1101 OE1 GLU A 68 20.549 1.510 4.633 1.00 1.91 O ATOM 1102 OE2 GLU A 68 21.451 0.834 2.747 1.00 1.89 O ATOM 0 H GLU A 68 16.862 -2.001 4.996 1.00 0.66 H new ATOM 0 HA GLU A 68 16.889 -0.690 2.461 1.00 0.67 H new ATOM 0 HB2 GLU A 68 18.177 -0.270 4.760 1.00 0.76 H new ATOM 0 HB3 GLU A 68 19.375 -1.321 4.031 1.00 0.76 H new ATOM 0 HG2 GLU A 68 19.176 0.260 1.959 1.00 0.96 H new ATOM 0 HG3 GLU A 68 18.404 1.373 3.071 1.00 0.96 H new ATOM 1109 N ASP A 69 18.381 -2.052 0.941 1.00 0.52 N ATOM 1110 CA ASP A 69 18.964 -2.965 -0.033 1.00 0.49 C ATOM 1111 C ASP A 69 17.962 -4.044 -0.431 1.00 0.44 C ATOM 1112 O ASP A 69 18.329 -5.203 -0.622 1.00 0.54 O ATOM 1113 CB ASP A 69 20.228 -3.612 0.537 1.00 0.59 C ATOM 1114 CG ASP A 69 20.230 -5.119 0.379 1.00 1.06 C ATOM 1115 OD1 ASP A 69 20.265 -5.596 -0.775 1.00 1.66 O ATOM 1116 OD2 ASP A 69 20.198 -5.823 1.409 1.00 1.87 O ATOM 0 H ASP A 69 18.252 -1.099 0.600 1.00 0.52 H new ATOM 0 HA ASP A 69 19.227 -2.391 -0.922 1.00 0.49 H new ATOM 0 HB2 ASP A 69 21.102 -3.196 0.036 1.00 0.59 H new ATOM 0 HB3 ASP A 69 20.316 -3.361 1.594 1.00 0.59 H new ATOM 1121 N ALA A 70 16.696 -3.656 -0.555 1.00 0.40 N ATOM 1122 CA ALA A 70 15.648 -4.594 -0.929 1.00 0.40 C ATOM 1123 C ALA A 70 14.463 -3.883 -1.564 1.00 0.35 C ATOM 1124 O ALA A 70 13.792 -3.079 -0.916 1.00 0.36 O ATOM 1125 CB ALA A 70 15.178 -5.373 0.287 1.00 0.49 C ATOM 0 H ALA A 70 16.374 -2.700 -0.402 1.00 0.40 H new ATOM 0 HA ALA A 70 16.070 -5.281 -1.663 1.00 0.40 H new ATOM 0 HB1 ALA A 70 14.394 -6.070 -0.008 1.00 0.49 H new ATOM 0 HB2 ALA A 70 16.016 -5.927 0.710 1.00 0.49 H new ATOM 0 HB3 ALA A 70 14.786 -4.682 1.033 1.00 0.49 H new ATOM 1131 N ALA A 71 14.195 -4.189 -2.828 1.00 0.33 N ATOM 1132 CA ALA A 71 13.073 -3.580 -3.525 1.00 0.30 C ATOM 1133 C ALA A 71 11.763 -4.067 -2.932 1.00 0.27 C ATOM 1134 O ALA A 71 11.575 -5.264 -2.717 1.00 0.36 O ATOM 1135 CB ALA A 71 13.135 -3.884 -5.014 1.00 0.34 C ATOM 0 H ALA A 71 14.736 -4.850 -3.386 1.00 0.33 H new ATOM 0 HA ALA A 71 13.131 -2.499 -3.399 1.00 0.30 H new ATOM 0 HB1 ALA A 71 12.286 -3.419 -5.516 1.00 0.34 H new ATOM 0 HB2 ALA A 71 14.063 -3.489 -5.428 1.00 0.34 H new ATOM 0 HB3 ALA A 71 13.100 -4.963 -5.167 1.00 0.34 H new ATOM 1141 N TYR A 72 10.865 -3.134 -2.649 1.00 0.24 N ATOM 1142 CA TYR A 72 9.582 -3.481 -2.060 1.00 0.24 C ATOM 1143 C TYR A 72 8.403 -2.951 -2.867 1.00 0.21 C ATOM 1144 O TYR A 72 8.314 -1.756 -3.146 1.00 0.23 O ATOM 1145 CB TYR A 72 9.489 -2.917 -0.644 1.00 0.30 C ATOM 1146 CG TYR A 72 10.254 -3.701 0.388 1.00 0.31 C ATOM 1147 CD1 TYR A 72 9.684 -4.819 0.981 1.00 0.49 C ATOM 1148 CD2 TYR A 72 11.537 -3.326 0.775 1.00 0.36 C ATOM 1149 CE1 TYR A 72 10.365 -5.547 1.931 1.00 0.56 C ATOM 1150 CE2 TYR A 72 12.228 -4.054 1.728 1.00 0.42 C ATOM 1151 CZ TYR A 72 11.636 -5.163 2.302 1.00 0.46 C ATOM 1152 OH TYR A 72 12.320 -5.889 3.249 1.00 0.56 O ATOM 0 H TYR A 72 11.001 -2.137 -2.817 1.00 0.24 H new ATOM 0 HA TYR A 72 9.527 -4.570 -2.052 1.00 0.24 H new ATOM 0 HB2 TYR A 72 9.857 -1.891 -0.650 1.00 0.30 H new ATOM 0 HB3 TYR A 72 8.440 -2.878 -0.349 1.00 0.30 H new ATOM 0 HD1 TYR A 72 8.689 -5.123 0.692 1.00 0.49 H new ATOM 0 HD2 TYR A 72 11.998 -2.458 0.327 1.00 0.36 H new ATOM 0 HE1 TYR A 72 9.906 -6.414 2.383 1.00 0.56 H new ATOM 0 HE2 TYR A 72 13.224 -3.757 2.021 1.00 0.42 H new ATOM 0 HH TYR A 72 12.957 -6.487 2.805 1.00 0.56 H new ATOM 1162 N GLU A 73 7.481 -3.846 -3.206 1.00 0.21 N ATOM 1163 CA GLU A 73 6.278 -3.468 -3.944 1.00 0.21 C ATOM 1164 C GLU A 73 5.092 -3.556 -2.988 1.00 0.23 C ATOM 1165 O GLU A 73 4.983 -4.528 -2.241 1.00 0.32 O ATOM 1166 CB GLU A 73 6.073 -4.387 -5.151 1.00 0.25 C ATOM 1167 CG GLU A 73 6.453 -3.740 -6.472 1.00 0.65 C ATOM 1168 CD GLU A 73 6.813 -4.757 -7.538 1.00 0.68 C ATOM 1169 OE1 GLU A 73 6.758 -5.970 -7.246 1.00 1.32 O ATOM 1170 OE2 GLU A 73 7.150 -4.339 -8.665 1.00 1.50 O ATOM 0 H GLU A 73 7.543 -4.839 -2.982 1.00 0.21 H new ATOM 0 HA GLU A 73 6.375 -2.451 -4.325 1.00 0.21 H new ATOM 0 HB2 GLU A 73 6.665 -5.292 -5.014 1.00 0.25 H new ATOM 0 HB3 GLU A 73 5.028 -4.693 -5.192 1.00 0.25 H new ATOM 0 HG2 GLU A 73 5.623 -3.128 -6.825 1.00 0.65 H new ATOM 0 HG3 GLU A 73 7.298 -3.070 -6.314 1.00 0.65 H new ATOM 1177 N PHE A 74 4.214 -2.550 -2.967 1.00 0.22 N ATOM 1178 CA PHE A 74 3.082 -2.612 -2.012 1.00 0.28 C ATOM 1179 C PHE A 74 1.710 -2.323 -2.625 1.00 0.25 C ATOM 1180 O PHE A 74 1.464 -1.246 -3.157 1.00 0.30 O ATOM 1181 CB PHE A 74 3.293 -1.656 -0.822 1.00 0.39 C ATOM 1182 CG PHE A 74 4.643 -1.003 -0.756 1.00 0.36 C ATOM 1183 CD1 PHE A 74 4.884 0.190 -1.417 1.00 0.52 C ATOM 1184 CD2 PHE A 74 5.671 -1.586 -0.035 1.00 0.42 C ATOM 1185 CE1 PHE A 74 6.127 0.788 -1.359 1.00 0.60 C ATOM 1186 CE2 PHE A 74 6.915 -0.992 0.027 1.00 0.49 C ATOM 1187 CZ PHE A 74 7.136 0.208 -0.631 1.00 0.53 C ATOM 0 H PHE A 74 4.249 -1.721 -3.561 1.00 0.22 H new ATOM 0 HA PHE A 74 3.077 -3.650 -1.680 1.00 0.28 H new ATOM 0 HB2 PHE A 74 2.532 -0.877 -0.864 1.00 0.39 H new ATOM 0 HB3 PHE A 74 3.130 -2.211 0.102 1.00 0.39 H new ATOM 0 HD1 PHE A 74 4.092 0.657 -1.983 1.00 0.52 H new ATOM 0 HD2 PHE A 74 5.497 -2.517 0.485 1.00 0.42 H new ATOM 0 HE1 PHE A 74 6.306 1.713 -1.887 1.00 0.60 H new ATOM 0 HE2 PHE A 74 7.712 -1.460 0.585 1.00 0.49 H new ATOM 0 HZ PHE A 74 8.102 0.687 -0.571 1.00 0.53 H new ATOM 1197 N ARG A 75 0.798 -3.288 -2.502 1.00 0.27 N ATOM 1198 CA ARG A 75 -0.562 -3.115 -3.011 1.00 0.34 C ATOM 1199 C ARG A 75 -1.484 -2.678 -1.882 1.00 0.31 C ATOM 1200 O ARG A 75 -1.106 -2.727 -0.712 1.00 0.45 O ATOM 1201 CB ARG A 75 -1.097 -4.399 -3.660 1.00 0.46 C ATOM 1202 CG ARG A 75 -0.394 -5.677 -3.227 1.00 0.94 C ATOM 1203 CD ARG A 75 -1.092 -6.905 -3.791 1.00 1.08 C ATOM 1204 NE ARG A 75 -0.248 -7.667 -4.710 1.00 0.87 N ATOM 1205 CZ ARG A 75 -0.713 -8.625 -5.507 1.00 1.39 C ATOM 1206 NH1 ARG A 75 -2.004 -8.933 -5.492 1.00 2.11 N ATOM 1207 NH2 ARG A 75 0.109 -9.276 -6.319 1.00 1.87 N ATOM 0 H ARG A 75 0.974 -4.189 -2.058 1.00 0.27 H new ATOM 0 HA ARG A 75 -0.534 -2.344 -3.781 1.00 0.34 H new ATOM 0 HB2 ARG A 75 -2.159 -4.490 -3.430 1.00 0.46 H new ATOM 0 HB3 ARG A 75 -1.012 -4.304 -4.743 1.00 0.46 H new ATOM 0 HG2 ARG A 75 0.642 -5.657 -3.564 1.00 0.94 H new ATOM 0 HG3 ARG A 75 -0.374 -5.734 -2.139 1.00 0.94 H new ATOM 0 HD2 ARG A 75 -1.401 -7.551 -2.969 1.00 1.08 H new ATOM 0 HD3 ARG A 75 -1.999 -6.595 -4.311 1.00 1.08 H new ATOM 0 HE ARG A 75 0.749 -7.453 -4.742 1.00 0.87 H new ATOM 0 HH11 ARG A 75 -2.640 -8.435 -4.869 1.00 2.11 H new ATOM 0 HH12 ARG A 75 -2.360 -9.668 -6.103 1.00 2.11 H new ATOM 0 HH21 ARG A 75 1.102 -9.043 -6.334 1.00 1.87 H new ATOM 0 HH22 ARG A 75 -0.252 -10.010 -6.929 1.00 1.87 H new ATOM 1221 N VAL A 76 -2.691 -2.242 -2.229 1.00 0.32 N ATOM 1222 CA VAL A 76 -3.640 -1.794 -1.215 1.00 0.39 C ATOM 1223 C VAL A 76 -4.888 -2.676 -1.170 1.00 0.31 C ATOM 1224 O VAL A 76 -5.358 -3.169 -2.188 1.00 0.43 O ATOM 1225 CB VAL A 76 -4.055 -0.321 -1.444 1.00 0.60 C ATOM 1226 CG1 VAL A 76 -5.158 0.100 -0.481 1.00 0.47 C ATOM 1227 CG2 VAL A 76 -2.853 0.600 -1.307 1.00 0.54 C ATOM 0 H VAL A 76 -3.032 -2.189 -3.189 1.00 0.32 H new ATOM 0 HA VAL A 76 -3.128 -1.874 -0.256 1.00 0.39 H new ATOM 0 HB VAL A 76 -4.445 -0.240 -2.458 1.00 0.60 H new ATOM 0 HG11 VAL A 76 -5.427 1.140 -0.668 1.00 0.47 H new ATOM 0 HG12 VAL A 76 -6.033 -0.533 -0.630 1.00 0.47 H new ATOM 0 HG13 VAL A 76 -4.805 -0.005 0.545 1.00 0.47 H new ATOM 0 HG21 VAL A 76 -3.164 1.632 -1.471 1.00 0.54 H new ATOM 0 HG22 VAL A 76 -2.433 0.503 -0.306 1.00 0.54 H new ATOM 0 HG23 VAL A 76 -2.099 0.327 -2.045 1.00 0.54 H new ATOM 1237 N ILE A 77 -5.420 -2.851 0.033 1.00 0.33 N ATOM 1238 CA ILE A 77 -6.619 -3.649 0.248 1.00 0.31 C ATOM 1239 C ILE A 77 -7.474 -2.964 1.310 1.00 0.30 C ATOM 1240 O ILE A 77 -6.949 -2.246 2.156 1.00 0.42 O ATOM 1241 CB ILE A 77 -6.259 -5.119 0.650 1.00 0.40 C ATOM 1242 CG1 ILE A 77 -6.518 -6.051 -0.529 1.00 0.45 C ATOM 1243 CG2 ILE A 77 -7.023 -5.621 1.881 1.00 0.70 C ATOM 1244 CD1 ILE A 77 -5.622 -7.267 -0.544 1.00 0.42 C ATOM 0 H ILE A 77 -5.033 -2.445 0.885 1.00 0.33 H new ATOM 0 HA ILE A 77 -7.187 -3.716 -0.680 1.00 0.31 H new ATOM 0 HB ILE A 77 -5.202 -5.119 0.917 1.00 0.40 H new ATOM 0 HG12 ILE A 77 -7.558 -6.376 -0.503 1.00 0.45 H new ATOM 0 HG13 ILE A 77 -6.380 -5.497 -1.457 1.00 0.45 H new ATOM 0 HG21 ILE A 77 -6.724 -6.646 2.102 1.00 0.70 H new ATOM 0 HG22 ILE A 77 -6.795 -4.984 2.736 1.00 0.70 H new ATOM 0 HG23 ILE A 77 -8.094 -5.591 1.682 1.00 0.70 H new ATOM 0 HD11 ILE A 77 -5.862 -7.885 -1.409 1.00 0.42 H new ATOM 0 HD12 ILE A 77 -4.580 -6.951 -0.601 1.00 0.42 H new ATOM 0 HD13 ILE A 77 -5.776 -7.844 0.368 1.00 0.42 H new ATOM 1256 N ALA A 78 -8.780 -3.175 1.272 1.00 0.27 N ATOM 1257 CA ALA A 78 -9.641 -2.539 2.265 1.00 0.30 C ATOM 1258 C ALA A 78 -11.040 -3.127 2.281 1.00 0.34 C ATOM 1259 O ALA A 78 -11.722 -3.151 1.260 1.00 0.60 O ATOM 1260 CB ALA A 78 -9.710 -1.041 2.007 1.00 0.39 C ATOM 0 H ALA A 78 -9.259 -3.762 0.589 1.00 0.27 H new ATOM 0 HA ALA A 78 -9.201 -2.727 3.244 1.00 0.30 H new ATOM 0 HB1 ALA A 78 -10.354 -0.573 2.751 1.00 0.39 H new ATOM 0 HB2 ALA A 78 -8.709 -0.614 2.073 1.00 0.39 H new ATOM 0 HB3 ALA A 78 -10.116 -0.862 1.012 1.00 0.39 H new ATOM 1266 N LYS A 79 -11.480 -3.584 3.449 1.00 0.38 N ATOM 1267 CA LYS A 79 -12.822 -4.142 3.556 1.00 0.43 C ATOM 1268 C LYS A 79 -13.833 -3.027 3.699 1.00 0.59 C ATOM 1269 O LYS A 79 -14.076 -2.527 4.798 1.00 1.31 O ATOM 1270 CB LYS A 79 -12.985 -5.131 4.710 1.00 0.56 C ATOM 1271 CG LYS A 79 -11.850 -5.151 5.716 1.00 1.07 C ATOM 1272 CD LYS A 79 -12.277 -5.863 6.989 1.00 1.50 C ATOM 1273 CE LYS A 79 -12.196 -7.374 6.833 1.00 1.71 C ATOM 1274 NZ LYS A 79 -11.101 -7.962 7.653 1.00 1.98 N ATOM 0 H LYS A 79 -10.942 -3.580 4.315 1.00 0.38 H new ATOM 0 HA LYS A 79 -12.994 -4.702 2.637 1.00 0.43 H new ATOM 0 HB2 LYS A 79 -13.911 -4.899 5.237 1.00 0.56 H new ATOM 0 HB3 LYS A 79 -13.097 -6.132 4.295 1.00 0.56 H new ATOM 0 HG2 LYS A 79 -10.984 -5.653 5.285 1.00 1.07 H new ATOM 0 HG3 LYS A 79 -11.545 -4.131 5.948 1.00 1.07 H new ATOM 0 HD2 LYS A 79 -11.641 -5.546 7.816 1.00 1.50 H new ATOM 0 HD3 LYS A 79 -13.297 -5.576 7.244 1.00 1.50 H new ATOM 0 HE2 LYS A 79 -13.147 -7.820 7.125 1.00 1.71 H new ATOM 0 HE3 LYS A 79 -12.036 -7.622 5.784 1.00 1.71 H new ATOM 0 HZ1 LYS A 79 -11.081 -8.993 7.517 1.00 1.98 H new ATOM 0 HZ2 LYS A 79 -10.190 -7.556 7.358 1.00 1.98 H new ATOM 0 HZ3 LYS A 79 -11.266 -7.748 8.657 1.00 1.98 H new ATOM 1288 N ASN A 80 -14.418 -2.643 2.576 1.00 0.65 N ATOM 1289 CA ASN A 80 -15.409 -1.580 2.543 1.00 0.70 C ATOM 1290 C ASN A 80 -16.361 -1.658 3.738 1.00 0.87 C ATOM 1291 O ASN A 80 -16.520 -2.720 4.339 1.00 1.55 O ATOM 1292 CB ASN A 80 -16.174 -1.650 1.229 1.00 0.67 C ATOM 1293 CG ASN A 80 -15.238 -1.671 0.039 1.00 1.39 C ATOM 1294 OD1 ASN A 80 -14.207 -2.345 0.056 1.00 2.19 O ATOM 1295 ND2 ASN A 80 -15.590 -0.933 -1.003 1.00 2.05 N ATOM 0 H ASN A 80 -14.220 -3.057 1.665 1.00 0.65 H new ATOM 0 HA ASN A 80 -14.896 -0.621 2.612 1.00 0.70 H new ATOM 0 HB2 ASN A 80 -16.798 -2.544 1.218 1.00 0.67 H new ATOM 0 HB3 ASN A 80 -16.843 -0.793 1.151 1.00 0.67 H new ATOM 0 HD21 ASN A 80 -14.998 -0.908 -1.833 1.00 2.05 H new ATOM 0 HD22 ASN A 80 -16.453 -0.390 -0.975 1.00 2.05 H new ATOM 1302 N ALA A 81 -16.968 -0.515 4.068 1.00 0.76 N ATOM 1303 CA ALA A 81 -17.904 -0.380 5.196 1.00 0.82 C ATOM 1304 C ALA A 81 -18.522 -1.700 5.659 1.00 0.88 C ATOM 1305 O ALA A 81 -18.571 -1.980 6.857 1.00 1.08 O ATOM 1306 CB ALA A 81 -19.014 0.585 4.827 1.00 0.83 C ATOM 0 H ALA A 81 -16.824 0.355 3.556 1.00 0.76 H new ATOM 0 HA ALA A 81 -17.313 -0.004 6.031 1.00 0.82 H new ATOM 0 HB1 ALA A 81 -19.705 0.682 5.664 1.00 0.83 H new ATOM 0 HB2 ALA A 81 -18.586 1.560 4.594 1.00 0.83 H new ATOM 0 HB3 ALA A 81 -19.550 0.207 3.956 1.00 0.83 H new ATOM 1312 N ALA A 82 -19.010 -2.497 4.716 1.00 0.81 N ATOM 1313 CA ALA A 82 -19.640 -3.764 5.059 1.00 0.90 C ATOM 1314 C ALA A 82 -18.802 -4.975 4.652 1.00 0.88 C ATOM 1315 O ALA A 82 -19.316 -5.917 4.048 1.00 1.06 O ATOM 1316 CB ALA A 82 -21.028 -3.834 4.437 1.00 0.94 C ATOM 0 H ALA A 82 -18.982 -2.291 3.717 1.00 0.81 H new ATOM 0 HA ALA A 82 -19.723 -3.802 6.145 1.00 0.90 H new ATOM 0 HB1 ALA A 82 -21.495 -4.784 4.696 1.00 0.94 H new ATOM 0 HB2 ALA A 82 -21.638 -3.014 4.816 1.00 0.94 H new ATOM 0 HB3 ALA A 82 -20.945 -3.754 3.353 1.00 0.94 H new ATOM 1322 N GLY A 83 -17.515 -4.965 4.994 1.00 0.82 N ATOM 1323 CA GLY A 83 -16.659 -6.085 4.660 1.00 0.86 C ATOM 1324 C GLY A 83 -16.811 -6.547 3.224 1.00 0.78 C ATOM 1325 O GLY A 83 -16.747 -7.743 2.942 1.00 0.93 O ATOM 0 H GLY A 83 -17.054 -4.204 5.494 1.00 0.82 H new ATOM 0 HA2 GLY A 83 -15.620 -5.805 4.837 1.00 0.86 H new ATOM 0 HA3 GLY A 83 -16.883 -6.917 5.328 1.00 0.86 H new ATOM 1329 N ALA A 84 -16.993 -5.597 2.313 1.00 0.72 N ATOM 1330 CA ALA A 84 -17.130 -5.920 0.895 1.00 0.78 C ATOM 1331 C ALA A 84 -15.765 -6.212 0.258 1.00 0.76 C ATOM 1332 O ALA A 84 -15.673 -6.496 -0.935 1.00 1.38 O ATOM 1333 CB ALA A 84 -17.835 -4.789 0.162 1.00 0.92 C ATOM 0 H ALA A 84 -17.049 -4.602 2.528 1.00 0.72 H new ATOM 0 HA ALA A 84 -17.736 -6.822 0.809 1.00 0.78 H new ATOM 0 HB1 ALA A 84 -17.930 -5.043 -0.894 1.00 0.92 H new ATOM 0 HB2 ALA A 84 -18.826 -4.640 0.590 1.00 0.92 H new ATOM 0 HB3 ALA A 84 -17.254 -3.872 0.263 1.00 0.92 H new ATOM 1339 N ILE A 85 -14.720 -6.146 1.081 1.00 0.50 N ATOM 1340 CA ILE A 85 -13.348 -6.398 0.682 1.00 0.40 C ATOM 1341 C ILE A 85 -12.982 -5.899 -0.702 1.00 0.38 C ATOM 1342 O ILE A 85 -13.412 -6.427 -1.728 1.00 0.48 O ATOM 1343 CB ILE A 85 -12.971 -7.894 0.869 1.00 0.48 C ATOM 1344 CG1 ILE A 85 -11.512 -8.055 1.335 1.00 0.54 C ATOM 1345 CG2 ILE A 85 -13.213 -8.713 -0.399 1.00 0.57 C ATOM 1346 CD1 ILE A 85 -11.022 -7.017 2.325 1.00 0.79 C ATOM 0 H ILE A 85 -14.813 -5.909 2.069 1.00 0.50 H new ATOM 0 HA ILE A 85 -12.743 -5.796 1.360 1.00 0.40 H new ATOM 0 HB ILE A 85 -13.628 -8.282 1.647 1.00 0.48 H new ATOM 0 HG12 ILE A 85 -11.400 -9.041 1.785 1.00 0.54 H new ATOM 0 HG13 ILE A 85 -10.865 -8.029 0.458 1.00 0.54 H new ATOM 0 HG21 ILE A 85 -12.935 -9.752 -0.220 1.00 0.57 H new ATOM 0 HG22 ILE A 85 -14.268 -8.661 -0.670 1.00 0.57 H new ATOM 0 HG23 ILE A 85 -12.609 -8.311 -1.213 1.00 0.57 H new ATOM 0 HD11 ILE A 85 -9.984 -7.224 2.586 1.00 0.79 H new ATOM 0 HD12 ILE A 85 -11.093 -6.026 1.878 1.00 0.79 H new ATOM 0 HD13 ILE A 85 -11.636 -7.054 3.225 1.00 0.79 H new ATOM 1358 N SER A 86 -12.135 -4.886 -0.699 1.00 0.39 N ATOM 1359 CA SER A 86 -11.634 -4.310 -1.928 1.00 0.45 C ATOM 1360 C SER A 86 -10.317 -5.012 -2.246 1.00 0.44 C ATOM 1361 O SER A 86 -9.335 -4.849 -1.506 1.00 0.43 O ATOM 1362 CB SER A 86 -11.451 -2.790 -1.795 1.00 0.54 C ATOM 1363 OG SER A 86 -10.110 -2.395 -2.027 1.00 0.59 O ATOM 0 H SER A 86 -11.779 -4.444 0.149 1.00 0.39 H new ATOM 0 HA SER A 86 -12.345 -4.456 -2.741 1.00 0.45 H new ATOM 0 HB2 SER A 86 -12.106 -2.283 -2.503 1.00 0.54 H new ATOM 0 HB3 SER A 86 -11.755 -2.474 -0.797 1.00 0.54 H new ATOM 0 HG SER A 86 -9.503 -3.009 -1.564 1.00 0.59 H new ATOM 1369 N PRO A 87 -10.281 -5.827 -3.322 1.00 0.52 N ATOM 1370 CA PRO A 87 -9.092 -6.585 -3.708 1.00 0.61 C ATOM 1371 C PRO A 87 -7.806 -5.764 -3.678 1.00 0.54 C ATOM 1372 O PRO A 87 -7.833 -4.549 -3.481 1.00 0.63 O ATOM 1373 CB PRO A 87 -9.400 -7.079 -5.131 1.00 0.85 C ATOM 1374 CG PRO A 87 -10.699 -6.449 -5.516 1.00 0.74 C ATOM 1375 CD PRO A 87 -11.400 -6.098 -4.238 1.00 0.59 C ATOM 0 HA PRO A 87 -8.904 -7.394 -3.002 1.00 0.61 H new ATOM 0 HB2 PRO A 87 -8.608 -6.793 -5.823 1.00 0.85 H new ATOM 0 HB3 PRO A 87 -9.471 -8.166 -5.159 1.00 0.85 H new ATOM 0 HG2 PRO A 87 -10.533 -5.560 -6.124 1.00 0.74 H new ATOM 0 HG3 PRO A 87 -11.301 -7.135 -6.112 1.00 0.74 H new ATOM 0 HD2 PRO A 87 -12.047 -5.229 -4.356 1.00 0.59 H new ATOM 0 HD3 PRO A 87 -12.027 -6.916 -3.882 1.00 0.59 H new ATOM 1383 N PRO A 88 -6.653 -6.436 -3.864 1.00 0.55 N ATOM 1384 CA PRO A 88 -5.338 -5.789 -3.846 1.00 0.56 C ATOM 1385 C PRO A 88 -5.140 -4.806 -4.989 1.00 0.48 C ATOM 1386 O PRO A 88 -4.700 -5.180 -6.075 1.00 0.68 O ATOM 1387 CB PRO A 88 -4.347 -6.950 -3.979 1.00 0.69 C ATOM 1388 CG PRO A 88 -5.130 -8.186 -3.694 1.00 0.76 C ATOM 1389 CD PRO A 88 -6.544 -7.886 -4.094 1.00 0.72 C ATOM 0 HA PRO A 88 -5.210 -5.199 -2.938 1.00 0.56 H new ATOM 0 HB2 PRO A 88 -3.915 -6.983 -4.979 1.00 0.69 H new ATOM 0 HB3 PRO A 88 -3.520 -6.841 -3.278 1.00 0.69 H new ATOM 0 HG2 PRO A 88 -4.738 -9.034 -4.256 1.00 0.76 H new ATOM 0 HG3 PRO A 88 -5.072 -8.449 -2.638 1.00 0.76 H new ATOM 0 HD2 PRO A 88 -6.732 -8.145 -5.136 1.00 0.72 H new ATOM 0 HD3 PRO A 88 -7.261 -8.445 -3.493 1.00 0.72 H new ATOM 1397 N SER A 89 -5.454 -3.545 -4.730 1.00 0.43 N ATOM 1398 CA SER A 89 -5.295 -2.506 -5.728 1.00 0.42 C ATOM 1399 C SER A 89 -3.840 -2.433 -6.179 1.00 0.35 C ATOM 1400 O SER A 89 -2.983 -1.938 -5.442 1.00 0.51 O ATOM 1401 CB SER A 89 -5.740 -1.156 -5.171 1.00 0.56 C ATOM 1402 OG SER A 89 -5.863 -1.203 -3.760 1.00 1.28 O ATOM 0 H SER A 89 -5.820 -3.220 -3.835 1.00 0.43 H new ATOM 0 HA SER A 89 -5.921 -2.750 -6.586 1.00 0.42 H new ATOM 0 HB2 SER A 89 -5.019 -0.388 -5.451 1.00 0.56 H new ATOM 0 HB3 SER A 89 -6.695 -0.873 -5.613 1.00 0.56 H new ATOM 0 HG SER A 89 -6.775 -1.468 -3.520 1.00 1.28 H new ATOM 1408 N GLU A 90 -3.598 -2.945 -7.393 1.00 0.38 N ATOM 1409 CA GLU A 90 -2.272 -2.996 -8.047 1.00 0.37 C ATOM 1410 C GLU A 90 -1.114 -2.506 -7.168 1.00 0.34 C ATOM 1411 O GLU A 90 -1.076 -1.342 -6.777 1.00 0.44 O ATOM 1412 CB GLU A 90 -2.303 -2.177 -9.336 1.00 0.49 C ATOM 1413 CG GLU A 90 -1.609 -2.862 -10.503 1.00 0.90 C ATOM 1414 CD GLU A 90 -1.218 -1.892 -11.601 1.00 1.10 C ATOM 1415 OE1 GLU A 90 -0.172 -1.225 -11.459 1.00 1.77 O ATOM 1416 OE2 GLU A 90 -1.958 -1.801 -12.604 1.00 1.76 O ATOM 0 H GLU A 90 -4.337 -3.348 -7.969 1.00 0.38 H new ATOM 0 HA GLU A 90 -2.080 -4.050 -8.250 1.00 0.37 H new ATOM 0 HB2 GLU A 90 -3.340 -1.977 -9.606 1.00 0.49 H new ATOM 0 HB3 GLU A 90 -1.829 -1.212 -9.156 1.00 0.49 H new ATOM 0 HG2 GLU A 90 -0.717 -3.373 -10.141 1.00 0.90 H new ATOM 0 HG3 GLU A 90 -2.269 -3.625 -10.916 1.00 0.90 H new ATOM 1423 N PRO A 91 -0.146 -3.391 -6.854 1.00 0.30 N ATOM 1424 CA PRO A 91 1.014 -3.044 -6.026 1.00 0.29 C ATOM 1425 C PRO A 91 1.632 -1.690 -6.359 1.00 0.31 C ATOM 1426 O PRO A 91 1.290 -1.058 -7.358 1.00 0.55 O ATOM 1427 CB PRO A 91 1.993 -4.168 -6.338 1.00 0.36 C ATOM 1428 CG PRO A 91 1.115 -5.346 -6.561 1.00 0.36 C ATOM 1429 CD PRO A 91 -0.098 -4.809 -7.278 1.00 0.39 C ATOM 0 HA PRO A 91 0.740 -2.952 -4.975 1.00 0.29 H new ATOM 0 HB2 PRO A 91 2.593 -3.943 -7.219 1.00 0.36 H new ATOM 0 HB3 PRO A 91 2.687 -4.335 -5.514 1.00 0.36 H new ATOM 0 HG2 PRO A 91 1.620 -6.106 -7.158 1.00 0.36 H new ATOM 0 HG3 PRO A 91 0.838 -5.814 -5.617 1.00 0.36 H new ATOM 0 HD2 PRO A 91 0.000 -4.902 -8.360 1.00 0.39 H new ATOM 0 HD3 PRO A 91 -1.003 -5.345 -6.993 1.00 0.39 H new ATOM 1437 N SER A 92 2.554 -1.267 -5.498 1.00 0.27 N ATOM 1438 CA SER A 92 3.259 -0.002 -5.654 1.00 0.31 C ATOM 1439 C SER A 92 4.642 -0.264 -6.197 1.00 0.27 C ATOM 1440 O SER A 92 5.299 -1.218 -5.764 1.00 0.24 O ATOM 1441 CB SER A 92 3.393 0.715 -4.310 1.00 0.39 C ATOM 1442 OG SER A 92 2.549 1.842 -4.234 1.00 1.23 O ATOM 0 H SER A 92 2.833 -1.795 -4.671 1.00 0.27 H new ATOM 0 HA SER A 92 2.689 0.626 -6.339 1.00 0.31 H new ATOM 0 HB2 SER A 92 3.151 0.024 -3.503 1.00 0.39 H new ATOM 0 HB3 SER A 92 4.428 1.025 -4.164 1.00 0.39 H new ATOM 0 HG SER A 92 2.162 2.021 -5.116 1.00 1.23 H new ATOM 1448 N ASP A 93 5.078 0.589 -7.131 1.00 0.33 N ATOM 1449 CA ASP A 93 6.398 0.466 -7.747 1.00 0.36 C ATOM 1450 C ASP A 93 7.441 0.029 -6.733 1.00 0.32 C ATOM 1451 O ASP A 93 7.579 0.625 -5.664 1.00 0.56 O ATOM 1452 CB ASP A 93 6.827 1.787 -8.384 1.00 0.45 C ATOM 1453 CG ASP A 93 5.717 2.442 -9.184 1.00 0.89 C ATOM 1454 OD1 ASP A 93 4.811 1.716 -9.647 1.00 1.55 O ATOM 1455 OD2 ASP A 93 5.754 3.679 -9.347 1.00 1.63 O ATOM 0 H ASP A 93 4.529 1.376 -7.477 1.00 0.33 H new ATOM 0 HA ASP A 93 6.324 -0.296 -8.522 1.00 0.36 H new ATOM 0 HB2 ASP A 93 7.158 2.471 -7.603 1.00 0.45 H new ATOM 0 HB3 ASP A 93 7.682 1.610 -9.036 1.00 0.45 H new ATOM 1460 N ALA A 94 8.160 -1.022 -7.075 1.00 0.33 N ATOM 1461 CA ALA A 94 9.184 -1.560 -6.201 1.00 0.28 C ATOM 1462 C ALA A 94 10.239 -0.514 -5.873 1.00 0.29 C ATOM 1463 O ALA A 94 10.762 0.157 -6.763 1.00 0.41 O ATOM 1464 CB ALA A 94 9.830 -2.776 -6.843 1.00 0.34 C ATOM 0 H ALA A 94 8.053 -1.523 -7.957 1.00 0.33 H new ATOM 0 HA ALA A 94 8.708 -1.858 -5.267 1.00 0.28 H new ATOM 0 HB1 ALA A 94 10.598 -3.173 -6.179 1.00 0.34 H new ATOM 0 HB2 ALA A 94 9.073 -3.540 -7.020 1.00 0.34 H new ATOM 0 HB3 ALA A 94 10.284 -2.489 -7.792 1.00 0.34 H new ATOM 1470 N ILE A 95 10.546 -0.383 -4.591 1.00 0.25 N ATOM 1471 CA ILE A 95 11.538 0.578 -4.138 1.00 0.28 C ATOM 1472 C ILE A 95 12.717 -0.126 -3.477 1.00 0.26 C ATOM 1473 O ILE A 95 12.595 -0.648 -2.367 1.00 0.25 O ATOM 1474 CB ILE A 95 10.930 1.580 -3.141 1.00 0.33 C ATOM 1475 CG1 ILE A 95 9.611 2.137 -3.681 1.00 0.41 C ATOM 1476 CG2 ILE A 95 11.913 2.705 -2.859 1.00 0.41 C ATOM 1477 CD1 ILE A 95 8.386 1.481 -3.080 1.00 0.44 C ATOM 0 H ILE A 95 10.120 -0.933 -3.845 1.00 0.25 H new ATOM 0 HA ILE A 95 11.886 1.118 -5.019 1.00 0.28 H new ATOM 0 HB ILE A 95 10.724 1.060 -2.205 1.00 0.33 H new ATOM 0 HG12 ILE A 95 9.572 3.209 -3.486 1.00 0.41 H new ATOM 0 HG13 ILE A 95 9.588 2.009 -4.763 1.00 0.41 H new ATOM 0 HG21 ILE A 95 11.470 3.407 -2.152 1.00 0.41 H new ATOM 0 HG22 ILE A 95 12.828 2.291 -2.434 1.00 0.41 H new ATOM 0 HG23 ILE A 95 12.147 3.225 -3.788 1.00 0.41 H new ATOM 0 HD11 ILE A 95 7.488 1.925 -3.509 1.00 0.44 H new ATOM 0 HD12 ILE A 95 8.402 0.413 -3.297 1.00 0.44 H new ATOM 0 HD13 ILE A 95 8.385 1.632 -2.000 1.00 0.44 H new ATOM 1489 N THR A 96 13.859 -0.141 -4.161 1.00 0.29 N ATOM 1490 CA THR A 96 15.063 -0.782 -3.634 1.00 0.32 C ATOM 1491 C THR A 96 15.300 -0.380 -2.183 1.00 0.32 C ATOM 1492 O THR A 96 15.733 -1.193 -1.365 1.00 0.38 O ATOM 1493 CB THR A 96 16.277 -0.405 -4.483 1.00 0.37 C ATOM 1494 OG1 THR A 96 15.965 -0.485 -5.862 1.00 0.44 O ATOM 1495 CG2 THR A 96 17.482 -1.285 -4.232 1.00 0.43 C ATOM 0 H THR A 96 13.977 0.283 -5.081 1.00 0.29 H new ATOM 0 HA THR A 96 14.919 -1.862 -3.675 1.00 0.32 H new ATOM 0 HB THR A 96 16.528 0.615 -4.192 1.00 0.37 H new ATOM 0 HG1 THR A 96 16.753 -0.239 -6.390 1.00 0.44 H new ATOM 0 HG21 THR A 96 18.307 -0.962 -4.867 1.00 0.43 H new ATOM 0 HG22 THR A 96 17.778 -1.207 -3.186 1.00 0.43 H new ATOM 0 HG23 THR A 96 17.231 -2.320 -4.462 1.00 0.43 H new ATOM 1503 N CYS A 97 15.006 0.877 -1.869 1.00 0.32 N ATOM 1504 CA CYS A 97 15.180 1.379 -0.515 1.00 0.36 C ATOM 1505 C CYS A 97 16.637 1.261 -0.077 1.00 0.43 C ATOM 1506 O CYS A 97 16.926 0.949 1.075 1.00 0.64 O ATOM 1507 CB CYS A 97 14.272 0.598 0.441 1.00 0.38 C ATOM 1508 SG CYS A 97 12.521 1.031 0.314 1.00 1.10 S ATOM 0 H CYS A 97 14.647 1.563 -2.533 1.00 0.32 H new ATOM 0 HA CYS A 97 14.905 2.434 -0.492 1.00 0.36 H new ATOM 0 HB2 CYS A 97 14.387 -0.468 0.245 1.00 0.38 H new ATOM 0 HB3 CYS A 97 14.605 0.771 1.464 1.00 0.38 H new ATOM 0 HG CYS A 97 12.123 1.560 1.432 1.00 1.10 H new ATOM 1514 N ARG A 98 17.552 1.507 -1.012 1.00 0.53 N ATOM 1515 CA ARG A 98 18.983 1.417 -0.727 1.00 0.63 C ATOM 1516 C ARG A 98 19.535 2.717 -0.157 1.00 0.80 C ATOM 1517 O ARG A 98 20.369 2.704 0.749 1.00 1.04 O ATOM 1518 CB ARG A 98 19.757 1.036 -1.992 1.00 0.68 C ATOM 1519 CG ARG A 98 19.408 1.879 -3.210 1.00 0.74 C ATOM 1520 CD ARG A 98 20.625 2.612 -3.751 1.00 0.92 C ATOM 1521 NE ARG A 98 21.669 1.693 -4.201 1.00 1.64 N ATOM 1522 CZ ARG A 98 21.674 1.107 -5.395 1.00 2.31 C ATOM 1523 NH1 ARG A 98 20.693 1.341 -6.257 1.00 3.00 N ATOM 1524 NH2 ARG A 98 22.661 0.287 -5.729 1.00 2.68 N ATOM 0 H ARG A 98 17.329 1.770 -1.972 1.00 0.53 H new ATOM 0 HA ARG A 98 19.112 0.640 0.027 1.00 0.63 H new ATOM 0 HB2 ARG A 98 20.825 1.128 -1.793 1.00 0.68 H new ATOM 0 HB3 ARG A 98 19.564 -0.012 -2.221 1.00 0.68 H new ATOM 0 HG2 ARG A 98 18.992 1.240 -3.989 1.00 0.74 H new ATOM 0 HG3 ARG A 98 18.636 2.601 -2.944 1.00 0.74 H new ATOM 0 HD2 ARG A 98 20.323 3.250 -4.581 1.00 0.92 H new ATOM 0 HD3 ARG A 98 21.027 3.265 -2.977 1.00 0.92 H new ATOM 0 HE ARG A 98 22.438 1.489 -3.563 1.00 1.64 H new ATOM 0 HH11 ARG A 98 19.932 1.972 -6.005 1.00 3.00 H new ATOM 0 HH12 ARG A 98 20.700 0.890 -7.172 1.00 3.00 H new ATOM 0 HH21 ARG A 98 23.418 0.105 -5.070 1.00 2.68 H new ATOM 0 HH22 ARG A 98 22.663 -0.162 -6.645 1.00 2.68 H new ATOM 1538 N ASP A 99 19.076 3.833 -0.691 1.00 0.92 N ATOM 1539 CA ASP A 99 19.537 5.140 -0.233 1.00 1.20 C ATOM 1540 C ASP A 99 18.513 6.228 -0.531 1.00 1.03 C ATOM 1541 O ASP A 99 18.862 7.402 -0.654 1.00 1.20 O ATOM 1542 CB ASP A 99 20.869 5.489 -0.895 1.00 1.61 C ATOM 1543 CG ASP A 99 20.720 5.779 -2.375 1.00 1.71 C ATOM 1544 OD1 ASP A 99 19.791 5.225 -2.999 1.00 2.14 O ATOM 1545 OD2 ASP A 99 21.534 6.561 -2.912 1.00 2.08 O ATOM 0 H ASP A 99 18.386 3.866 -1.441 1.00 0.92 H new ATOM 0 HA ASP A 99 19.670 5.086 0.847 1.00 1.20 H new ATOM 0 HB2 ASP A 99 21.301 6.358 -0.399 1.00 1.61 H new ATOM 0 HB3 ASP A 99 21.567 4.663 -0.758 1.00 1.61 H new ATOM 1550 N ASP A 100 17.252 5.827 -0.652 1.00 0.85 N ATOM 1551 CA ASP A 100 16.159 6.753 -0.938 1.00 0.92 C ATOM 1552 C ASP A 100 16.450 7.626 -2.157 1.00 1.22 C ATOM 1553 O ASP A 100 15.833 8.676 -2.339 1.00 1.38 O ATOM 1554 CB ASP A 100 15.857 7.629 0.286 1.00 0.87 C ATOM 1555 CG ASP A 100 16.884 8.724 0.507 1.00 1.32 C ATOM 1556 OD1 ASP A 100 16.861 9.719 -0.246 1.00 2.06 O ATOM 1557 OD2 ASP A 100 17.710 8.585 1.433 1.00 2.03 O ATOM 0 H ASP A 100 16.958 4.855 -0.555 1.00 0.85 H new ATOM 0 HA ASP A 100 15.280 6.151 -1.169 1.00 0.92 H new ATOM 0 HB2 ASP A 100 14.873 8.082 0.166 1.00 0.87 H new ATOM 0 HB3 ASP A 100 15.812 6.998 1.174 1.00 0.87 H new