USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 653 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 27 MET CE :methyl -150:sc= -0.224 (180deg=-0.588) USER MOD Set 1.2: A 47 ASN : amide:sc= -0.0825 X(o=-0.31,f=-0.59) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 165:sc= 0.0715 (180deg=0.0303) USER MOD Single : A 2 THR OG1 : rot 180:sc= -2.59! USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -2.54! K(o=-2.5!,f=-1) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.101 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -19! C(o=-19!,f=-18!) USER MOD Single : A 12 LYS NZ :NH3+ 172:sc=-0.00774 (180deg=-0.132) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HD1:sc=-0.000184 X(o=-0.00018,f=-0.23) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 160:sc= -0.0745 (180deg=-0.539) USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 38 ASN : amide:sc= -6.24! C(o=-6.2!,f=-14!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl -116:sc= -0.0132 (180deg=-0.393) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 164:sc=-0.00302 (180deg=-0.243) USER MOD Single : A 62 GLN : amide:sc= -0.0495 K(o=-0.05,f=-1.5!) USER MOD Single : A 68 THR OG1 : rot 179:sc= -1.13 USER MOD Single : A 71 GLN : amide:sc= -0.0397 K(o=-0.04,f=-0.7) USER MOD Single : A 84 ASN : amide:sc= -0.528 K(o=-0.53,f=-2.5!) USER MOD Single : A 85 SER OG : rot 96:sc= -1.52! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 48.285 -14.373 13.478 1.00 0.00 N ATOM 2 CA MET A 1 48.386 -13.757 14.831 1.00 0.00 C ATOM 3 C MET A 1 49.824 -13.862 15.330 1.00 0.00 C ATOM 4 O MET A 1 50.310 -14.954 15.621 1.00 0.00 O ATOM 5 CB MET A 1 47.445 -14.485 15.793 1.00 0.00 C ATOM 6 CG MET A 1 47.429 -13.761 17.139 1.00 0.00 C ATOM 7 SD MET A 1 46.275 -14.591 18.259 1.00 0.00 S ATOM 8 CE MET A 1 46.479 -13.473 19.667 1.00 0.00 C ATOM 0 H1 MET A 1 47.285 -14.534 13.244 1.00 0.00 H new ATOM 0 H2 MET A 1 48.708 -13.735 12.774 1.00 0.00 H new ATOM 0 H3 MET A 1 48.792 -15.281 13.471 1.00 0.00 H new ATOM 0 HA MET A 1 48.101 -12.706 14.779 1.00 0.00 H new ATOM 0 HB2 MET A 1 46.439 -14.521 15.376 1.00 0.00 H new ATOM 0 HB3 MET A 1 47.772 -15.516 15.927 1.00 0.00 H new ATOM 0 HG2 MET A 1 48.430 -13.753 17.571 1.00 0.00 H new ATOM 0 HG3 MET A 1 47.133 -12.721 17.001 1.00 0.00 H new ATOM 0 HE1 MET A 1 45.845 -13.804 20.489 1.00 0.00 H new ATOM 0 HE2 MET A 1 47.521 -13.478 19.988 1.00 0.00 H new ATOM 0 HE3 MET A 1 46.194 -12.463 19.373 1.00 0.00 H new ATOM 20 N THR A 2 50.497 -12.721 15.423 1.00 0.00 N ATOM 21 CA THR A 2 51.879 -12.697 15.888 1.00 0.00 C ATOM 22 C THR A 2 52.752 -13.599 15.021 1.00 0.00 C ATOM 23 O THR A 2 52.560 -14.814 14.983 1.00 0.00 O ATOM 24 CB THR A 2 51.948 -13.163 17.344 1.00 0.00 C ATOM 25 OG1 THR A 2 50.674 -13.643 17.746 1.00 0.00 O ATOM 26 CG2 THR A 2 52.360 -11.992 18.238 1.00 0.00 C ATOM 0 H THR A 2 50.112 -11.807 15.185 1.00 0.00 H new ATOM 0 HA THR A 2 52.249 -11.674 15.816 1.00 0.00 H new ATOM 0 HB THR A 2 52.683 -13.962 17.436 1.00 0.00 H new ATOM 0 HG1 THR A 2 50.717 -13.944 18.678 1.00 0.00 H new ATOM 0 HG21 THR A 2 52.409 -12.325 19.275 1.00 0.00 H new ATOM 0 HG22 THR A 2 53.338 -11.625 17.929 1.00 0.00 H new ATOM 0 HG23 THR A 2 51.627 -11.190 18.149 1.00 0.00 H new ATOM 34 N VAL A 3 53.712 -12.995 14.326 1.00 0.00 N ATOM 35 CA VAL A 3 54.608 -13.754 13.461 1.00 0.00 C ATOM 36 C VAL A 3 56.043 -13.258 13.609 1.00 0.00 C ATOM 37 O VAL A 3 56.344 -12.103 13.307 1.00 0.00 O ATOM 38 CB VAL A 3 54.167 -13.617 12.004 1.00 0.00 C ATOM 39 CG1 VAL A 3 55.168 -14.336 11.097 1.00 0.00 C ATOM 40 CG2 VAL A 3 52.782 -14.246 11.830 1.00 0.00 C ATOM 0 H VAL A 3 53.888 -11.991 14.345 1.00 0.00 H new ATOM 0 HA VAL A 3 54.566 -14.802 13.756 1.00 0.00 H new ATOM 0 HB VAL A 3 54.126 -12.561 11.735 1.00 0.00 H new ATOM 0 HG11 VAL A 3 54.853 -14.238 10.058 1.00 0.00 H new ATOM 0 HG12 VAL A 3 56.155 -13.891 11.220 1.00 0.00 H new ATOM 0 HG13 VAL A 3 55.209 -15.392 11.366 1.00 0.00 H new ATOM 0 HG21 VAL A 3 52.466 -14.149 10.791 1.00 0.00 H new ATOM 0 HG22 VAL A 3 52.825 -15.301 12.099 1.00 0.00 H new ATOM 0 HG23 VAL A 3 52.067 -13.736 12.476 1.00 0.00 H new ATOM 50 N LYS A 4 56.923 -14.137 14.077 1.00 0.00 N ATOM 51 CA LYS A 4 58.325 -13.776 14.262 1.00 0.00 C ATOM 52 C LYS A 4 59.225 -14.664 13.410 1.00 0.00 C ATOM 53 O LYS A 4 58.787 -15.688 12.885 1.00 0.00 O ATOM 54 CB LYS A 4 58.711 -13.918 15.735 1.00 0.00 C ATOM 55 CG LYS A 4 58.319 -15.311 16.234 1.00 0.00 C ATOM 56 CD LYS A 4 58.467 -15.368 17.756 1.00 0.00 C ATOM 57 CE LYS A 4 58.145 -16.780 18.248 1.00 0.00 C ATOM 58 NZ LYS A 4 58.341 -16.849 19.724 1.00 0.00 N ATOM 0 H LYS A 4 56.694 -15.097 14.334 1.00 0.00 H new ATOM 0 HA LYS A 4 58.457 -12.740 13.950 1.00 0.00 H new ATOM 0 HB2 LYS A 4 59.783 -13.765 15.857 1.00 0.00 H new ATOM 0 HB3 LYS A 4 58.210 -13.153 16.329 1.00 0.00 H new ATOM 0 HG2 LYS A 4 57.291 -15.535 15.949 1.00 0.00 H new ATOM 0 HG3 LYS A 4 58.951 -16.067 15.768 1.00 0.00 H new ATOM 0 HD2 LYS A 4 59.482 -15.094 18.044 1.00 0.00 H new ATOM 0 HD3 LYS A 4 57.797 -14.647 18.224 1.00 0.00 H new ATOM 0 HE2 LYS A 4 57.117 -17.039 17.994 1.00 0.00 H new ATOM 0 HE3 LYS A 4 58.789 -17.506 17.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 58.122 -17.809 20.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 59.329 -16.619 19.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 57.709 -16.167 20.190 1.00 0.00 H new ATOM 72 N GLN A 5 60.486 -14.264 13.276 1.00 0.00 N ATOM 73 CA GLN A 5 61.442 -15.030 12.486 1.00 0.00 C ATOM 74 C GLN A 5 62.871 -14.676 12.886 1.00 0.00 C ATOM 75 O GLN A 5 63.224 -13.501 12.990 1.00 0.00 O ATOM 76 CB GLN A 5 61.240 -14.742 10.998 1.00 0.00 C ATOM 77 CG GLN A 5 60.162 -15.673 10.439 1.00 0.00 C ATOM 78 CD GLN A 5 59.989 -15.432 8.943 1.00 0.00 C ATOM 79 OE1 GLN A 5 60.358 -16.280 8.130 1.00 0.00 O ATOM 80 NE2 GLN A 5 59.448 -14.320 8.528 1.00 0.00 N ATOM 0 H GLN A 5 60.867 -13.419 13.702 1.00 0.00 H new ATOM 0 HA GLN A 5 61.275 -16.090 12.675 1.00 0.00 H new ATOM 0 HB2 GLN A 5 60.947 -13.702 10.855 1.00 0.00 H new ATOM 0 HB3 GLN A 5 62.176 -14.887 10.458 1.00 0.00 H new ATOM 0 HG2 GLN A 5 60.438 -16.712 10.619 1.00 0.00 H new ATOM 0 HG3 GLN A 5 59.218 -15.500 10.955 1.00 0.00 H new ATOM 0 HE21 GLN A 5 59.143 -13.618 9.203 1.00 0.00 H new ATOM 0 HE22 GLN A 5 59.330 -14.152 7.529 1.00 0.00 H new ATOM 89 N THR A 6 63.688 -15.701 13.112 1.00 0.00 N ATOM 90 CA THR A 6 65.078 -15.484 13.502 1.00 0.00 C ATOM 91 C THR A 6 65.933 -15.150 12.284 1.00 0.00 C ATOM 92 O THR A 6 65.918 -15.871 11.286 1.00 0.00 O ATOM 93 CB THR A 6 65.628 -16.737 14.187 1.00 0.00 C ATOM 94 OG1 THR A 6 64.567 -17.653 14.420 1.00 0.00 O ATOM 95 CG2 THR A 6 66.274 -16.351 15.518 1.00 0.00 C ATOM 0 H THR A 6 63.416 -16.681 13.033 1.00 0.00 H new ATOM 0 HA THR A 6 65.114 -14.644 14.196 1.00 0.00 H new ATOM 0 HB THR A 6 66.375 -17.203 13.545 1.00 0.00 H new ATOM 0 HG1 THR A 6 64.919 -18.457 14.857 1.00 0.00 H new ATOM 0 HG21 THR A 6 66.665 -17.244 16.005 1.00 0.00 H new ATOM 0 HG22 THR A 6 67.089 -15.650 15.337 1.00 0.00 H new ATOM 0 HG23 THR A 6 65.529 -15.884 16.162 1.00 0.00 H new ATOM 103 N VAL A 7 66.678 -14.054 12.374 1.00 0.00 N ATOM 104 CA VAL A 7 67.538 -13.633 11.274 1.00 0.00 C ATOM 105 C VAL A 7 68.944 -13.327 11.782 1.00 0.00 C ATOM 106 O VAL A 7 69.116 -12.607 12.765 1.00 0.00 O ATOM 107 CB VAL A 7 66.955 -12.389 10.600 1.00 0.00 C ATOM 108 CG1 VAL A 7 67.883 -11.937 9.472 1.00 0.00 C ATOM 109 CG2 VAL A 7 65.578 -12.724 10.023 1.00 0.00 C ATOM 0 H VAL A 7 66.704 -13.444 13.191 1.00 0.00 H new ATOM 0 HA VAL A 7 67.593 -14.445 10.549 1.00 0.00 H new ATOM 0 HB VAL A 7 66.859 -11.588 11.333 1.00 0.00 H new ATOM 0 HG11 VAL A 7 67.468 -11.051 8.992 1.00 0.00 H new ATOM 0 HG12 VAL A 7 68.865 -11.701 9.881 1.00 0.00 H new ATOM 0 HG13 VAL A 7 67.979 -12.736 8.737 1.00 0.00 H new ATOM 0 HG21 VAL A 7 65.160 -11.840 9.542 1.00 0.00 H new ATOM 0 HG22 VAL A 7 65.676 -13.524 9.289 1.00 0.00 H new ATOM 0 HG23 VAL A 7 64.916 -13.047 10.826 1.00 0.00 H new ATOM 119 N GLU A 8 69.945 -13.880 11.105 1.00 0.00 N ATOM 120 CA GLU A 8 71.332 -13.659 11.497 1.00 0.00 C ATOM 121 C GLU A 8 71.815 -12.292 11.022 1.00 0.00 C ATOM 122 O GLU A 8 71.571 -11.899 9.882 1.00 0.00 O ATOM 123 CB GLU A 8 72.223 -14.751 10.903 1.00 0.00 C ATOM 124 CG GLU A 8 73.605 -14.697 11.558 1.00 0.00 C ATOM 125 CD GLU A 8 74.446 -15.884 11.099 1.00 0.00 C ATOM 126 OE1 GLU A 8 73.909 -16.733 10.407 1.00 0.00 O ATOM 127 OE2 GLU A 8 75.615 -15.925 11.447 1.00 0.00 O ATOM 0 H GLU A 8 69.824 -14.480 10.289 1.00 0.00 H new ATOM 0 HA GLU A 8 71.390 -13.693 12.585 1.00 0.00 H new ATOM 0 HB2 GLU A 8 71.771 -15.730 11.063 1.00 0.00 H new ATOM 0 HB3 GLU A 8 72.314 -14.614 9.825 1.00 0.00 H new ATOM 0 HG2 GLU A 8 74.104 -13.764 11.296 1.00 0.00 H new ATOM 0 HG3 GLU A 8 73.503 -14.711 12.643 1.00 0.00 H new ATOM 134 N ILE A 9 72.502 -11.574 11.905 1.00 0.00 N ATOM 135 CA ILE A 9 73.016 -10.252 11.566 1.00 0.00 C ATOM 136 C ILE A 9 74.453 -10.351 11.062 1.00 0.00 C ATOM 137 O ILE A 9 75.310 -10.945 11.716 1.00 0.00 O ATOM 138 CB ILE A 9 72.966 -9.341 12.793 1.00 0.00 C ATOM 139 CG1 ILE A 9 71.512 -9.164 13.236 1.00 0.00 C ATOM 140 CG2 ILE A 9 73.561 -7.977 12.442 1.00 0.00 C ATOM 141 CD1 ILE A 9 70.630 -8.923 12.009 1.00 0.00 C ATOM 0 H ILE A 9 72.714 -11.882 12.854 1.00 0.00 H new ATOM 0 HA ILE A 9 72.393 -9.831 10.777 1.00 0.00 H new ATOM 0 HB ILE A 9 73.542 -9.790 13.602 1.00 0.00 H new ATOM 0 HG12 ILE A 9 71.173 -10.051 13.772 1.00 0.00 H new ATOM 0 HG13 ILE A 9 71.431 -8.324 13.926 1.00 0.00 H new ATOM 0 HG21 ILE A 9 73.525 -7.328 13.317 1.00 0.00 H new ATOM 0 HG22 ILE A 9 74.597 -8.102 12.126 1.00 0.00 H new ATOM 0 HG23 ILE A 9 72.986 -7.527 11.633 1.00 0.00 H new ATOM 0 HD11 ILE A 9 69.594 -8.797 12.324 1.00 0.00 H new ATOM 0 HD12 ILE A 9 70.964 -8.023 11.492 1.00 0.00 H new ATOM 0 HD13 ILE A 9 70.703 -9.777 11.335 1.00 0.00 H new ATOM 153 N THR A 10 74.709 -9.767 9.896 1.00 0.00 N ATOM 154 CA THR A 10 76.046 -9.797 9.315 1.00 0.00 C ATOM 155 C THR A 10 76.446 -8.412 8.816 1.00 0.00 C ATOM 156 O THR A 10 76.074 -8.009 7.714 1.00 0.00 O ATOM 157 CB THR A 10 76.089 -10.793 8.155 1.00 0.00 C ATOM 158 OG1 THR A 10 75.892 -12.108 8.654 1.00 0.00 O ATOM 159 CG2 THR A 10 77.447 -10.708 7.456 1.00 0.00 C ATOM 0 H THR A 10 74.014 -9.271 9.338 1.00 0.00 H new ATOM 0 HA THR A 10 76.750 -10.108 10.087 1.00 0.00 H new ATOM 0 HB THR A 10 75.301 -10.553 7.441 1.00 0.00 H new ATOM 0 HG1 THR A 10 75.918 -12.747 7.911 1.00 0.00 H new ATOM 0 HG21 THR A 10 77.476 -11.418 6.630 1.00 0.00 H new ATOM 0 HG22 THR A 10 77.596 -9.699 7.072 1.00 0.00 H new ATOM 0 HG23 THR A 10 78.238 -10.946 8.167 1.00 0.00 H new ATOM 167 N ASN A 11 77.205 -7.690 9.633 1.00 0.00 N ATOM 168 CA ASN A 11 77.650 -6.352 9.263 1.00 0.00 C ATOM 169 C ASN A 11 76.695 -5.297 9.814 1.00 0.00 C ATOM 170 O ASN A 11 77.084 -4.153 10.045 1.00 0.00 O ATOM 171 CB ASN A 11 77.725 -6.229 7.740 1.00 0.00 C ATOM 172 CG ASN A 11 78.140 -7.564 7.130 1.00 0.00 C ATOM 173 OD1 ASN A 11 77.294 -8.318 6.649 1.00 0.00 O ATOM 174 ND2 ASN A 11 79.400 -7.902 7.119 1.00 0.00 N ATOM 0 H ASN A 11 77.523 -8.006 10.549 1.00 0.00 H new ATOM 0 HA ASN A 11 78.639 -6.188 9.690 1.00 0.00 H new ATOM 0 HB2 ASN A 11 76.757 -5.924 7.343 1.00 0.00 H new ATOM 0 HB3 ASN A 11 78.441 -5.455 7.464 1.00 0.00 H new ATOM 0 HD21 ASN A 11 79.686 -8.792 6.711 1.00 0.00 H new ATOM 0 HD22 ASN A 11 80.099 -7.276 7.518 1.00 0.00 H new ATOM 181 N LYS A 12 75.443 -5.691 10.021 1.00 0.00 N ATOM 182 CA LYS A 12 74.440 -4.772 10.546 1.00 0.00 C ATOM 183 C LYS A 12 73.041 -5.205 10.121 1.00 0.00 C ATOM 184 O LYS A 12 72.860 -6.281 9.551 1.00 0.00 O ATOM 185 CB LYS A 12 74.714 -3.355 10.038 1.00 0.00 C ATOM 186 CG LYS A 12 74.579 -3.324 8.514 1.00 0.00 C ATOM 187 CD LYS A 12 74.837 -1.903 8.007 1.00 0.00 C ATOM 188 CE LYS A 12 76.345 -1.664 7.904 1.00 0.00 C ATOM 189 NZ LYS A 12 76.601 -0.222 7.630 1.00 0.00 N ATOM 0 H LYS A 12 75.100 -6.634 9.835 1.00 0.00 H new ATOM 0 HA LYS A 12 74.497 -4.785 11.634 1.00 0.00 H new ATOM 0 HB2 LYS A 12 74.013 -2.653 10.490 1.00 0.00 H new ATOM 0 HB3 LYS A 12 75.715 -3.039 10.332 1.00 0.00 H new ATOM 0 HG2 LYS A 12 75.288 -4.017 8.061 1.00 0.00 H new ATOM 0 HG3 LYS A 12 73.582 -3.651 8.220 1.00 0.00 H new ATOM 0 HD2 LYS A 12 74.368 -1.762 7.033 1.00 0.00 H new ATOM 0 HD3 LYS A 12 74.388 -1.177 8.685 1.00 0.00 H new ATOM 0 HE2 LYS A 12 76.835 -1.962 8.831 1.00 0.00 H new ATOM 0 HE3 LYS A 12 76.768 -2.277 7.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 77.622 -0.032 7.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 76.264 0.015 6.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 76.096 0.359 8.329 1.00 0.00 H new ATOM 203 N LEU A 13 72.054 -4.361 10.404 1.00 0.00 N ATOM 204 CA LEU A 13 70.674 -4.666 10.046 1.00 0.00 C ATOM 205 C LEU A 13 70.553 -4.923 8.547 1.00 0.00 C ATOM 206 O LEU A 13 69.824 -5.818 8.118 1.00 0.00 O ATOM 207 CB LEU A 13 69.763 -3.504 10.442 1.00 0.00 C ATOM 208 CG LEU A 13 69.695 -3.404 11.967 1.00 0.00 C ATOM 209 CD1 LEU A 13 68.874 -2.176 12.364 1.00 0.00 C ATOM 210 CD2 LEU A 13 69.032 -4.662 12.531 1.00 0.00 C ATOM 0 H LEU A 13 72.183 -3.466 10.877 1.00 0.00 H new ATOM 0 HA LEU A 13 70.370 -5.565 10.582 1.00 0.00 H new ATOM 0 HB2 LEU A 13 70.142 -2.572 10.023 1.00 0.00 H new ATOM 0 HB3 LEU A 13 68.764 -3.655 10.032 1.00 0.00 H new ATOM 0 HG LEU A 13 70.704 -3.311 12.369 1.00 0.00 H new ATOM 0 HD11 LEU A 13 68.826 -2.106 13.451 1.00 0.00 H new ATOM 0 HD12 LEU A 13 69.345 -1.278 11.963 1.00 0.00 H new ATOM 0 HD13 LEU A 13 67.865 -2.267 11.962 1.00 0.00 H new ATOM 0 HD21 LEU A 13 68.983 -4.592 13.618 1.00 0.00 H new ATOM 0 HD22 LEU A 13 68.024 -4.754 12.128 1.00 0.00 H new ATOM 0 HD23 LEU A 13 69.616 -5.538 12.250 1.00 0.00 H new ATOM 222 N GLY A 14 71.271 -4.133 7.757 1.00 0.00 N ATOM 223 CA GLY A 14 71.236 -4.284 6.306 1.00 0.00 C ATOM 224 C GLY A 14 71.961 -3.131 5.621 1.00 0.00 C ATOM 225 O GLY A 14 73.113 -2.834 5.936 1.00 0.00 O ATOM 0 H GLY A 14 71.880 -3.387 8.093 1.00 0.00 H new ATOM 0 HA2 GLY A 14 71.699 -5.229 6.024 1.00 0.00 H new ATOM 0 HA3 GLY A 14 70.201 -4.322 5.965 1.00 0.00 H new ATOM 229 N MET A 15 71.277 -2.485 4.681 1.00 0.00 N ATOM 230 CA MET A 15 71.868 -1.364 3.957 1.00 0.00 C ATOM 231 C MET A 15 71.985 -0.143 4.863 1.00 0.00 C ATOM 232 O MET A 15 71.039 0.634 4.998 1.00 0.00 O ATOM 233 CB MET A 15 71.007 -1.019 2.740 1.00 0.00 C ATOM 234 CG MET A 15 71.081 -2.159 1.723 1.00 0.00 C ATOM 235 SD MET A 15 70.082 -1.739 0.273 1.00 0.00 S ATOM 236 CE MET A 15 70.417 -3.241 -0.678 1.00 0.00 C ATOM 0 H MET A 15 70.323 -2.715 4.405 1.00 0.00 H new ATOM 0 HA MET A 15 72.866 -1.653 3.627 1.00 0.00 H new ATOM 0 HB2 MET A 15 69.974 -0.857 3.046 1.00 0.00 H new ATOM 0 HB3 MET A 15 71.354 -0.090 2.287 1.00 0.00 H new ATOM 0 HG2 MET A 15 72.116 -2.331 1.428 1.00 0.00 H new ATOM 0 HG3 MET A 15 70.720 -3.085 2.171 1.00 0.00 H new ATOM 0 HE1 MET A 15 69.889 -3.194 -1.630 1.00 0.00 H new ATOM 0 HE2 MET A 15 71.488 -3.324 -0.861 1.00 0.00 H new ATOM 0 HE3 MET A 15 70.076 -4.111 -0.116 1.00 0.00 H new ATOM 246 N HIS A 16 73.150 0.020 5.481 1.00 0.00 N ATOM 247 CA HIS A 16 73.379 1.152 6.371 1.00 0.00 C ATOM 248 C HIS A 16 72.339 1.175 7.487 1.00 0.00 C ATOM 249 O HIS A 16 72.358 0.331 8.384 1.00 0.00 O ATOM 250 CB HIS A 16 73.313 2.460 5.583 1.00 0.00 C ATOM 251 CG HIS A 16 74.483 2.540 4.642 1.00 0.00 C ATOM 252 ND1 HIS A 16 74.495 1.886 3.419 1.00 0.00 N ATOM 253 CD2 HIS A 16 75.689 3.191 4.730 1.00 0.00 C ATOM 254 CE1 HIS A 16 75.672 2.156 2.826 1.00 0.00 C ATOM 255 NE2 HIS A 16 76.438 2.948 3.582 1.00 0.00 N ATOM 0 H HIS A 16 73.945 -0.612 5.383 1.00 0.00 H new ATOM 0 HA HIS A 16 74.369 1.046 6.814 1.00 0.00 H new ATOM 0 HB2 HIS A 16 72.379 2.513 5.024 1.00 0.00 H new ATOM 0 HB3 HIS A 16 73.324 3.309 6.266 1.00 0.00 H new ATOM 0 HD2 HIS A 16 76.008 3.799 5.563 1.00 0.00 H new ATOM 0 HE1 HIS A 16 75.962 1.779 1.857 1.00 0.00 H new ATOM 0 HE2 HIS A 16 77.371 3.299 3.365 1.00 0.00 H new ATOM 263 N ALA A 17 71.434 2.145 7.425 1.00 0.00 N ATOM 264 CA ALA A 17 70.390 2.268 8.435 1.00 0.00 C ATOM 265 C ALA A 17 69.027 2.461 7.778 1.00 0.00 C ATOM 266 O ALA A 17 68.016 2.628 8.459 1.00 0.00 O ATOM 267 CB ALA A 17 70.689 3.456 9.352 1.00 0.00 C ATOM 0 H ALA A 17 71.402 2.853 6.691 1.00 0.00 H new ATOM 0 HA ALA A 17 70.370 1.350 9.023 1.00 0.00 H new ATOM 0 HB1 ALA A 17 69.905 3.542 10.104 1.00 0.00 H new ATOM 0 HB2 ALA A 17 71.649 3.303 9.845 1.00 0.00 H new ATOM 0 HB3 ALA A 17 70.727 4.371 8.761 1.00 0.00 H new ATOM 273 N ARG A 18 69.009 2.437 6.449 1.00 0.00 N ATOM 274 CA ARG A 18 67.765 2.610 5.709 1.00 0.00 C ATOM 275 C ARG A 18 66.709 1.623 6.197 1.00 0.00 C ATOM 276 O ARG A 18 65.573 2.002 6.482 1.00 0.00 O ATOM 277 CB ARG A 18 68.012 2.396 4.214 1.00 0.00 C ATOM 278 CG ARG A 18 67.770 3.708 3.464 1.00 0.00 C ATOM 279 CD ARG A 18 68.024 3.497 1.971 1.00 0.00 C ATOM 280 NE ARG A 18 67.773 4.731 1.237 1.00 0.00 N ATOM 281 CZ ARG A 18 68.673 5.708 1.205 1.00 0.00 C ATOM 282 NH1 ARG A 18 68.423 6.804 0.542 1.00 0.00 N ATOM 283 NH2 ARG A 18 69.806 5.572 1.838 1.00 0.00 N ATOM 0 H ARG A 18 69.835 2.301 5.867 1.00 0.00 H new ATOM 0 HA ARG A 18 67.404 3.625 5.876 1.00 0.00 H new ATOM 0 HB2 ARG A 18 69.033 2.053 4.049 1.00 0.00 H new ATOM 0 HB3 ARG A 18 67.349 1.619 3.833 1.00 0.00 H new ATOM 0 HG2 ARG A 18 66.747 4.048 3.625 1.00 0.00 H new ATOM 0 HG3 ARG A 18 68.429 4.486 3.849 1.00 0.00 H new ATOM 0 HD2 ARG A 18 69.053 3.174 1.812 1.00 0.00 H new ATOM 0 HD3 ARG A 18 67.379 2.704 1.594 1.00 0.00 H new ATOM 0 HE ARG A 18 66.890 4.847 0.739 1.00 0.00 H new ATOM 0 HH11 ARG A 18 67.537 6.911 0.048 1.00 0.00 H new ATOM 0 HH12 ARG A 18 69.114 7.554 0.517 1.00 0.00 H new ATOM 0 HH21 ARG A 18 70.001 4.716 2.357 1.00 0.00 H new ATOM 0 HH22 ARG A 18 70.497 6.322 1.814 1.00 0.00 H new ATOM 297 N PRO A 19 67.068 0.372 6.297 1.00 0.00 N ATOM 298 CA PRO A 19 66.141 -0.699 6.761 1.00 0.00 C ATOM 299 C PRO A 19 65.393 -0.301 8.031 1.00 0.00 C ATOM 300 O PRO A 19 64.163 -0.262 8.052 1.00 0.00 O ATOM 301 CB PRO A 19 67.064 -1.890 7.022 1.00 0.00 C ATOM 302 CG PRO A 19 68.258 -1.668 6.152 1.00 0.00 C ATOM 303 CD PRO A 19 68.403 -0.155 5.976 1.00 0.00 C ATOM 0 HA PRO A 19 65.362 -0.911 6.029 1.00 0.00 H new ATOM 0 HB2 PRO A 19 67.349 -1.943 8.073 1.00 0.00 H new ATOM 0 HB3 PRO A 19 66.570 -2.830 6.778 1.00 0.00 H new ATOM 0 HG2 PRO A 19 69.153 -2.091 6.608 1.00 0.00 H new ATOM 0 HG3 PRO A 19 68.130 -2.159 5.187 1.00 0.00 H new ATOM 0 HD2 PRO A 19 69.163 0.253 6.642 1.00 0.00 H new ATOM 0 HD3 PRO A 19 68.699 0.102 4.959 1.00 0.00 H new ATOM 311 N ALA A 20 66.145 -0.003 9.085 1.00 0.00 N ATOM 312 CA ALA A 20 65.543 0.393 10.353 1.00 0.00 C ATOM 313 C ALA A 20 64.736 1.676 10.183 1.00 0.00 C ATOM 314 O ALA A 20 63.628 1.799 10.707 1.00 0.00 O ATOM 315 CB ALA A 20 66.632 0.609 11.405 1.00 0.00 C ATOM 0 H ALA A 20 67.165 -0.028 9.087 1.00 0.00 H new ATOM 0 HA ALA A 20 64.875 -0.404 10.681 1.00 0.00 H new ATOM 0 HB1 ALA A 20 66.173 0.904 12.348 1.00 0.00 H new ATOM 0 HB2 ALA A 20 67.190 -0.317 11.547 1.00 0.00 H new ATOM 0 HB3 ALA A 20 67.311 1.394 11.070 1.00 0.00 H new ATOM 321 N MET A 21 65.297 2.629 9.447 1.00 0.00 N ATOM 322 CA MET A 21 64.621 3.900 9.214 1.00 0.00 C ATOM 323 C MET A 21 63.348 3.687 8.399 1.00 0.00 C ATOM 324 O MET A 21 62.301 4.256 8.706 1.00 0.00 O ATOM 325 CB MET A 21 65.552 4.858 8.467 1.00 0.00 C ATOM 326 CG MET A 21 66.480 5.550 9.466 1.00 0.00 C ATOM 327 SD MET A 21 65.502 6.577 10.589 1.00 0.00 S ATOM 328 CE MET A 21 66.778 6.815 11.849 1.00 0.00 C ATOM 0 H MET A 21 66.212 2.547 9.004 1.00 0.00 H new ATOM 0 HA MET A 21 64.355 4.331 10.179 1.00 0.00 H new ATOM 0 HB2 MET A 21 66.138 4.311 7.729 1.00 0.00 H new ATOM 0 HB3 MET A 21 64.967 5.600 7.923 1.00 0.00 H new ATOM 0 HG2 MET A 21 67.041 4.807 10.032 1.00 0.00 H new ATOM 0 HG3 MET A 21 67.208 6.164 8.936 1.00 0.00 H new ATOM 0 HE1 MET A 21 66.383 7.434 12.655 1.00 0.00 H new ATOM 0 HE2 MET A 21 67.079 5.847 12.249 1.00 0.00 H new ATOM 0 HE3 MET A 21 67.642 7.308 11.403 1.00 0.00 H new ATOM 338 N LYS A 22 63.447 2.863 7.362 1.00 0.00 N ATOM 339 CA LYS A 22 62.298 2.580 6.510 1.00 0.00 C ATOM 340 C LYS A 22 61.189 1.906 7.312 1.00 0.00 C ATOM 341 O LYS A 22 60.007 2.182 7.108 1.00 0.00 O ATOM 342 CB LYS A 22 62.718 1.673 5.351 1.00 0.00 C ATOM 343 CG LYS A 22 61.564 1.552 4.353 1.00 0.00 C ATOM 344 CD LYS A 22 62.042 0.799 3.111 1.00 0.00 C ATOM 345 CE LYS A 22 60.888 0.673 2.114 1.00 0.00 C ATOM 346 NZ LYS A 22 60.458 2.032 1.678 1.00 0.00 N ATOM 0 H LYS A 22 64.305 2.382 7.092 1.00 0.00 H new ATOM 0 HA LYS A 22 61.921 3.523 6.114 1.00 0.00 H new ATOM 0 HB2 LYS A 22 63.599 2.082 4.856 1.00 0.00 H new ATOM 0 HB3 LYS A 22 62.992 0.687 5.727 1.00 0.00 H new ATOM 0 HG2 LYS A 22 60.727 1.025 4.811 1.00 0.00 H new ATOM 0 HG3 LYS A 22 61.204 2.543 4.075 1.00 0.00 H new ATOM 0 HD2 LYS A 22 62.877 1.327 2.652 1.00 0.00 H new ATOM 0 HD3 LYS A 22 62.405 -0.190 3.390 1.00 0.00 H new ATOM 0 HE2 LYS A 22 61.201 0.085 1.251 1.00 0.00 H new ATOM 0 HE3 LYS A 22 60.052 0.145 2.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 59.935 1.960 0.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 59.844 2.452 2.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 61.295 2.634 1.542 1.00 0.00 H new ATOM 360 N LEU A 23 61.580 1.022 8.224 1.00 0.00 N ATOM 361 CA LEU A 23 60.610 0.314 9.051 1.00 0.00 C ATOM 362 C LEU A 23 59.588 1.288 9.630 1.00 0.00 C ATOM 363 O LEU A 23 58.386 1.022 9.618 1.00 0.00 O ATOM 364 CB LEU A 23 61.327 -0.412 10.192 1.00 0.00 C ATOM 365 CG LEU A 23 61.413 -1.905 9.871 1.00 0.00 C ATOM 366 CD1 LEU A 23 62.407 -2.576 10.822 1.00 0.00 C ATOM 367 CD2 LEU A 23 60.033 -2.544 10.044 1.00 0.00 C ATOM 0 H LEU A 23 62.554 0.780 8.408 1.00 0.00 H new ATOM 0 HA LEU A 23 60.091 -0.413 8.427 1.00 0.00 H new ATOM 0 HB2 LEU A 23 62.327 -0.000 10.328 1.00 0.00 H new ATOM 0 HB3 LEU A 23 60.790 -0.261 11.128 1.00 0.00 H new ATOM 0 HG LEU A 23 61.749 -2.036 8.842 1.00 0.00 H new ATOM 0 HD11 LEU A 23 62.468 -3.640 10.593 1.00 0.00 H new ATOM 0 HD12 LEU A 23 63.390 -2.122 10.700 1.00 0.00 H new ATOM 0 HD13 LEU A 23 62.071 -2.445 11.851 1.00 0.00 H new ATOM 0 HD21 LEU A 23 60.093 -3.608 9.815 1.00 0.00 H new ATOM 0 HD22 LEU A 23 59.697 -2.412 11.073 1.00 0.00 H new ATOM 0 HD23 LEU A 23 59.324 -2.067 9.367 1.00 0.00 H new ATOM 379 N PHE A 24 60.074 2.417 10.135 1.00 0.00 N ATOM 380 CA PHE A 24 59.194 3.425 10.715 1.00 0.00 C ATOM 381 C PHE A 24 58.086 3.796 9.736 1.00 0.00 C ATOM 382 O PHE A 24 56.940 4.007 10.131 1.00 0.00 O ATOM 383 CB PHE A 24 59.998 4.674 11.077 1.00 0.00 C ATOM 384 CG PHE A 24 60.549 4.531 12.476 1.00 0.00 C ATOM 385 CD1 PHE A 24 61.354 3.434 12.802 1.00 0.00 C ATOM 386 CD2 PHE A 24 60.255 5.498 13.446 1.00 0.00 C ATOM 387 CE1 PHE A 24 61.865 3.301 14.100 1.00 0.00 C ATOM 388 CE2 PHE A 24 60.766 5.365 14.743 1.00 0.00 C ATOM 389 CZ PHE A 24 61.571 4.267 15.069 1.00 0.00 C ATOM 0 H PHE A 24 61.065 2.656 10.155 1.00 0.00 H new ATOM 0 HA PHE A 24 58.742 3.011 11.616 1.00 0.00 H new ATOM 0 HB2 PHE A 24 60.813 4.814 10.366 1.00 0.00 H new ATOM 0 HB3 PHE A 24 59.364 5.559 11.013 1.00 0.00 H new ATOM 0 HD1 PHE A 24 61.582 2.690 12.053 1.00 0.00 H new ATOM 0 HD2 PHE A 24 59.635 6.345 13.194 1.00 0.00 H new ATOM 0 HE1 PHE A 24 62.485 2.454 14.352 1.00 0.00 H new ATOM 0 HE2 PHE A 24 60.539 6.109 15.492 1.00 0.00 H new ATOM 0 HZ PHE A 24 61.965 4.165 16.069 1.00 0.00 H new ATOM 399 N GLU A 25 58.436 3.871 8.455 1.00 0.00 N ATOM 400 CA GLU A 25 57.464 4.218 7.426 1.00 0.00 C ATOM 401 C GLU A 25 56.541 3.036 7.143 1.00 0.00 C ATOM 402 O GLU A 25 55.374 3.216 6.799 1.00 0.00 O ATOM 403 CB GLU A 25 58.185 4.624 6.140 1.00 0.00 C ATOM 404 CG GLU A 25 57.157 5.020 5.079 1.00 0.00 C ATOM 405 CD GLU A 25 57.865 5.439 3.797 1.00 0.00 C ATOM 406 OE1 GLU A 25 59.084 5.406 3.779 1.00 0.00 O ATOM 407 OE2 GLU A 25 57.178 5.789 2.851 1.00 0.00 O ATOM 0 H GLU A 25 59.379 3.697 8.108 1.00 0.00 H new ATOM 0 HA GLU A 25 56.866 5.055 7.785 1.00 0.00 H new ATOM 0 HB2 GLU A 25 58.859 5.458 6.337 1.00 0.00 H new ATOM 0 HB3 GLU A 25 58.797 3.798 5.778 1.00 0.00 H new ATOM 0 HG2 GLU A 25 56.489 4.183 4.878 1.00 0.00 H new ATOM 0 HG3 GLU A 25 56.539 5.839 5.447 1.00 0.00 H new ATOM 414 N LEU A 26 57.074 1.828 7.293 1.00 0.00 N ATOM 415 CA LEU A 26 56.290 0.623 7.050 1.00 0.00 C ATOM 416 C LEU A 26 55.154 0.510 8.062 1.00 0.00 C ATOM 417 O LEU A 26 54.019 0.196 7.703 1.00 0.00 O ATOM 418 CB LEU A 26 57.187 -0.613 7.149 1.00 0.00 C ATOM 419 CG LEU A 26 58.223 -0.580 6.025 1.00 0.00 C ATOM 420 CD1 LEU A 26 59.069 -1.854 6.073 1.00 0.00 C ATOM 421 CD2 LEU A 26 57.507 -0.497 4.675 1.00 0.00 C ATOM 0 H LEU A 26 58.038 1.658 7.579 1.00 0.00 H new ATOM 0 HA LEU A 26 55.865 0.685 6.048 1.00 0.00 H new ATOM 0 HB2 LEU A 26 57.686 -0.637 8.118 1.00 0.00 H new ATOM 0 HB3 LEU A 26 56.585 -1.519 7.078 1.00 0.00 H new ATOM 0 HG LEU A 26 58.867 0.290 6.151 1.00 0.00 H new ATOM 0 HD11 LEU A 26 59.808 -1.831 5.272 1.00 0.00 H new ATOM 0 HD12 LEU A 26 59.579 -1.916 7.035 1.00 0.00 H new ATOM 0 HD13 LEU A 26 58.424 -2.724 5.947 1.00 0.00 H new ATOM 0 HD21 LEU A 26 58.245 -0.473 3.873 1.00 0.00 H new ATOM 0 HD22 LEU A 26 56.863 -1.368 4.550 1.00 0.00 H new ATOM 0 HD23 LEU A 26 56.903 0.409 4.639 1.00 0.00 H new ATOM 433 N MET A 27 55.467 0.771 9.327 1.00 0.00 N ATOM 434 CA MET A 27 54.464 0.696 10.382 1.00 0.00 C ATOM 435 C MET A 27 53.239 1.531 10.018 1.00 0.00 C ATOM 436 O MET A 27 52.117 1.208 10.408 1.00 0.00 O ATOM 437 CB MET A 27 55.054 1.202 11.701 1.00 0.00 C ATOM 438 CG MET A 27 55.857 0.081 12.364 1.00 0.00 C ATOM 439 SD MET A 27 54.742 -0.973 13.324 1.00 0.00 S ATOM 440 CE MET A 27 54.527 0.146 14.731 1.00 0.00 C ATOM 0 H MET A 27 56.400 1.034 9.645 1.00 0.00 H new ATOM 0 HA MET A 27 54.160 -0.345 10.495 1.00 0.00 H new ATOM 0 HB2 MET A 27 55.695 2.064 11.518 1.00 0.00 H new ATOM 0 HB3 MET A 27 54.256 1.534 12.365 1.00 0.00 H new ATOM 0 HG2 MET A 27 56.371 -0.510 11.606 1.00 0.00 H new ATOM 0 HG3 MET A 27 56.624 0.503 13.013 1.00 0.00 H new ATOM 0 HE1 MET A 27 54.349 -0.436 15.635 1.00 0.00 H new ATOM 0 HE2 MET A 27 55.427 0.748 14.858 1.00 0.00 H new ATOM 0 HE3 MET A 27 53.676 0.801 14.548 1.00 0.00 H new ATOM 450 N GLN A 28 53.463 2.604 9.267 1.00 0.00 N ATOM 451 CA GLN A 28 52.372 3.478 8.856 1.00 0.00 C ATOM 452 C GLN A 28 51.645 2.895 7.647 1.00 0.00 C ATOM 453 O GLN A 28 50.416 2.915 7.581 1.00 0.00 O ATOM 454 CB GLN A 28 52.915 4.865 8.505 1.00 0.00 C ATOM 455 CG GLN A 28 51.752 5.799 8.166 1.00 0.00 C ATOM 456 CD GLN A 28 52.270 7.215 7.943 1.00 0.00 C ATOM 457 OE1 GLN A 28 53.468 7.466 8.066 1.00 0.00 O ATOM 458 NE2 GLN A 28 51.432 8.162 7.619 1.00 0.00 N ATOM 0 H GLN A 28 54.384 2.888 8.933 1.00 0.00 H new ATOM 0 HA GLN A 28 51.669 3.563 9.685 1.00 0.00 H new ATOM 0 HB2 GLN A 28 53.485 5.266 9.343 1.00 0.00 H new ATOM 0 HB3 GLN A 28 53.598 4.796 7.659 1.00 0.00 H new ATOM 0 HG2 GLN A 28 51.239 5.445 7.272 1.00 0.00 H new ATOM 0 HG3 GLN A 28 51.022 5.793 8.975 1.00 0.00 H new ATOM 0 HE21 GLN A 28 50.439 7.952 7.518 1.00 0.00 H new ATOM 0 HE22 GLN A 28 51.770 9.112 7.467 1.00 0.00 H new ATOM 467 N GLY A 29 52.413 2.376 6.695 1.00 0.00 N ATOM 468 CA GLY A 29 51.831 1.789 5.493 1.00 0.00 C ATOM 469 C GLY A 29 51.163 0.456 5.808 1.00 0.00 C ATOM 470 O GLY A 29 50.088 0.152 5.289 1.00 0.00 O ATOM 0 H GLY A 29 53.432 2.349 6.731 1.00 0.00 H new ATOM 0 HA2 GLY A 29 51.100 2.475 5.066 1.00 0.00 H new ATOM 0 HA3 GLY A 29 52.607 1.643 4.742 1.00 0.00 H new ATOM 474 N PHE A 30 51.805 -0.336 6.660 1.00 0.00 N ATOM 475 CA PHE A 30 51.263 -1.636 7.037 1.00 0.00 C ATOM 476 C PHE A 30 50.583 -1.559 8.401 1.00 0.00 C ATOM 477 O PHE A 30 50.959 -0.748 9.248 1.00 0.00 O ATOM 478 CB PHE A 30 52.383 -2.676 7.081 1.00 0.00 C ATOM 479 CG PHE A 30 53.220 -2.565 5.829 1.00 0.00 C ATOM 480 CD1 PHE A 30 54.531 -3.055 5.818 1.00 0.00 C ATOM 481 CD2 PHE A 30 52.685 -1.971 4.679 1.00 0.00 C ATOM 482 CE1 PHE A 30 55.308 -2.952 4.658 1.00 0.00 C ATOM 483 CE2 PHE A 30 53.460 -1.868 3.519 1.00 0.00 C ATOM 484 CZ PHE A 30 54.772 -2.358 3.508 1.00 0.00 C ATOM 0 H PHE A 30 52.695 -0.103 7.100 1.00 0.00 H new ATOM 0 HA PHE A 30 50.524 -1.930 6.292 1.00 0.00 H new ATOM 0 HB2 PHE A 30 53.005 -2.520 7.962 1.00 0.00 H new ATOM 0 HB3 PHE A 30 51.961 -3.678 7.162 1.00 0.00 H new ATOM 0 HD1 PHE A 30 54.943 -3.513 6.705 1.00 0.00 H new ATOM 0 HD2 PHE A 30 51.674 -1.592 4.688 1.00 0.00 H new ATOM 0 HE1 PHE A 30 56.320 -3.330 4.650 1.00 0.00 H new ATOM 0 HE2 PHE A 30 53.047 -1.411 2.632 1.00 0.00 H new ATOM 0 HZ PHE A 30 55.371 -2.278 2.613 1.00 0.00 H new ATOM 494 N ASP A 31 49.579 -2.405 8.605 1.00 0.00 N ATOM 495 CA ASP A 31 48.853 -2.423 9.870 1.00 0.00 C ATOM 496 C ASP A 31 49.346 -3.562 10.756 1.00 0.00 C ATOM 497 O ASP A 31 48.892 -4.700 10.632 1.00 0.00 O ATOM 498 CB ASP A 31 47.355 -2.589 9.609 1.00 0.00 C ATOM 499 CG ASP A 31 46.873 -1.513 8.642 1.00 0.00 C ATOM 500 OD1 ASP A 31 46.573 -0.423 9.100 1.00 0.00 O ATOM 501 OD2 ASP A 31 46.812 -1.795 7.456 1.00 0.00 O ATOM 0 H ASP A 31 49.251 -3.082 7.917 1.00 0.00 H new ATOM 0 HA ASP A 31 49.031 -1.477 10.382 1.00 0.00 H new ATOM 0 HB2 ASP A 31 47.157 -3.577 9.195 1.00 0.00 H new ATOM 0 HB3 ASP A 31 46.804 -2.520 10.547 1.00 0.00 H new ATOM 506 N ALA A 32 50.279 -3.249 11.650 1.00 0.00 N ATOM 507 CA ALA A 32 50.826 -4.255 12.553 1.00 0.00 C ATOM 508 C ALA A 32 52.018 -3.692 13.322 1.00 0.00 C ATOM 509 O ALA A 32 52.732 -2.821 12.827 1.00 0.00 O ATOM 510 CB ALA A 32 51.264 -5.487 11.760 1.00 0.00 C ATOM 0 H ALA A 32 50.669 -2.314 11.768 1.00 0.00 H new ATOM 0 HA ALA A 32 50.050 -4.539 13.264 1.00 0.00 H new ATOM 0 HB1 ALA A 32 51.671 -6.233 12.442 1.00 0.00 H new ATOM 0 HB2 ALA A 32 50.406 -5.906 11.235 1.00 0.00 H new ATOM 0 HB3 ALA A 32 52.028 -5.202 11.037 1.00 0.00 H new ATOM 516 N GLU A 33 52.225 -4.196 14.534 1.00 0.00 N ATOM 517 CA GLU A 33 53.333 -3.735 15.364 1.00 0.00 C ATOM 518 C GLU A 33 54.544 -4.648 15.198 1.00 0.00 C ATOM 519 O GLU A 33 54.408 -5.869 15.132 1.00 0.00 O ATOM 520 CB GLU A 33 52.909 -3.708 16.833 1.00 0.00 C ATOM 521 CG GLU A 33 54.000 -3.034 17.668 1.00 0.00 C ATOM 522 CD GLU A 33 53.510 -2.830 19.098 1.00 0.00 C ATOM 523 OE1 GLU A 33 52.358 -3.134 19.357 1.00 0.00 O ATOM 524 OE2 GLU A 33 54.295 -2.372 19.911 1.00 0.00 O ATOM 0 H GLU A 33 51.645 -4.918 14.961 1.00 0.00 H new ATOM 0 HA GLU A 33 53.606 -2.729 15.046 1.00 0.00 H new ATOM 0 HB2 GLU A 33 51.968 -3.168 16.941 1.00 0.00 H new ATOM 0 HB3 GLU A 33 52.737 -4.723 17.191 1.00 0.00 H new ATOM 0 HG2 GLU A 33 54.901 -3.647 17.667 1.00 0.00 H new ATOM 0 HG3 GLU A 33 54.267 -2.074 17.226 1.00 0.00 H new ATOM 531 N VAL A 34 55.728 -4.047 15.132 1.00 0.00 N ATOM 532 CA VAL A 34 56.957 -4.815 14.974 1.00 0.00 C ATOM 533 C VAL A 34 57.841 -4.668 16.208 1.00 0.00 C ATOM 534 O VAL A 34 57.864 -3.615 16.845 1.00 0.00 O ATOM 535 CB VAL A 34 57.719 -4.334 13.739 1.00 0.00 C ATOM 536 CG1 VAL A 34 56.944 -4.721 12.477 1.00 0.00 C ATOM 537 CG2 VAL A 34 57.872 -2.813 13.795 1.00 0.00 C ATOM 0 H VAL A 34 55.862 -3.037 15.185 1.00 0.00 H new ATOM 0 HA VAL A 34 56.694 -5.866 14.851 1.00 0.00 H new ATOM 0 HB VAL A 34 58.705 -4.799 13.717 1.00 0.00 H new ATOM 0 HG11 VAL A 34 57.488 -4.378 11.597 1.00 0.00 H new ATOM 0 HG12 VAL A 34 56.834 -5.805 12.436 1.00 0.00 H new ATOM 0 HG13 VAL A 34 55.958 -4.256 12.499 1.00 0.00 H new ATOM 0 HG21 VAL A 34 58.415 -2.469 12.915 1.00 0.00 H new ATOM 0 HG22 VAL A 34 56.886 -2.349 13.817 1.00 0.00 H new ATOM 0 HG23 VAL A 34 58.424 -2.536 14.693 1.00 0.00 H new ATOM 547 N LEU A 35 58.567 -5.731 16.541 1.00 0.00 N ATOM 548 CA LEU A 35 59.449 -5.707 17.701 1.00 0.00 C ATOM 549 C LEU A 35 60.727 -6.492 17.422 1.00 0.00 C ATOM 550 O LEU A 35 60.686 -7.573 16.833 1.00 0.00 O ATOM 551 CB LEU A 35 58.735 -6.309 18.913 1.00 0.00 C ATOM 552 CG LEU A 35 59.752 -6.577 20.024 1.00 0.00 C ATOM 553 CD1 LEU A 35 59.155 -6.171 21.372 1.00 0.00 C ATOM 554 CD2 LEU A 35 60.097 -8.068 20.049 1.00 0.00 C ATOM 0 H LEU A 35 58.562 -6.613 16.028 1.00 0.00 H new ATOM 0 HA LEU A 35 59.712 -4.670 17.910 1.00 0.00 H new ATOM 0 HB2 LEU A 35 57.963 -5.627 19.269 1.00 0.00 H new ATOM 0 HB3 LEU A 35 58.236 -7.236 18.631 1.00 0.00 H new ATOM 0 HG LEU A 35 60.655 -5.996 19.837 1.00 0.00 H new ATOM 0 HD11 LEU A 35 59.880 -6.362 22.163 1.00 0.00 H new ATOM 0 HD12 LEU A 35 58.907 -5.110 21.355 1.00 0.00 H new ATOM 0 HD13 LEU A 35 58.252 -6.751 21.560 1.00 0.00 H new ATOM 0 HD21 LEU A 35 60.822 -8.261 20.840 1.00 0.00 H new ATOM 0 HD22 LEU A 35 59.193 -8.648 20.236 1.00 0.00 H new ATOM 0 HD23 LEU A 35 60.522 -8.359 19.089 1.00 0.00 H new ATOM 566 N LEU A 36 61.860 -5.941 17.846 1.00 0.00 N ATOM 567 CA LEU A 36 63.143 -6.599 17.636 1.00 0.00 C ATOM 568 C LEU A 36 63.717 -7.089 18.963 1.00 0.00 C ATOM 569 O LEU A 36 63.466 -6.499 20.013 1.00 0.00 O ATOM 570 CB LEU A 36 64.127 -5.628 16.981 1.00 0.00 C ATOM 571 CG LEU A 36 63.562 -5.155 15.640 1.00 0.00 C ATOM 572 CD1 LEU A 36 64.246 -3.851 15.229 1.00 0.00 C ATOM 573 CD2 LEU A 36 63.819 -6.223 14.574 1.00 0.00 C ATOM 0 H LEU A 36 61.915 -5.047 18.334 1.00 0.00 H new ATOM 0 HA LEU A 36 62.988 -7.456 16.981 1.00 0.00 H new ATOM 0 HB2 LEU A 36 64.302 -4.774 17.636 1.00 0.00 H new ATOM 0 HB3 LEU A 36 65.090 -6.116 16.830 1.00 0.00 H new ATOM 0 HG LEU A 36 62.489 -4.987 15.737 1.00 0.00 H new ATOM 0 HD11 LEU A 36 63.843 -3.514 14.274 1.00 0.00 H new ATOM 0 HD12 LEU A 36 64.064 -3.090 15.988 1.00 0.00 H new ATOM 0 HD13 LEU A 36 65.319 -4.018 15.132 1.00 0.00 H new ATOM 0 HD21 LEU A 36 63.417 -5.887 13.618 1.00 0.00 H new ATOM 0 HD22 LEU A 36 64.892 -6.390 14.478 1.00 0.00 H new ATOM 0 HD23 LEU A 36 63.332 -7.153 14.866 1.00 0.00 H new ATOM 585 N ARG A 37 64.486 -8.171 18.906 1.00 0.00 N ATOM 586 CA ARG A 37 65.088 -8.731 20.110 1.00 0.00 C ATOM 587 C ARG A 37 66.398 -9.438 19.775 1.00 0.00 C ATOM 588 O ARG A 37 66.467 -10.222 18.829 1.00 0.00 O ATOM 589 CB ARG A 37 64.124 -9.722 20.764 1.00 0.00 C ATOM 590 CG ARG A 37 64.920 -10.815 21.479 1.00 0.00 C ATOM 591 CD ARG A 37 64.008 -11.553 22.461 1.00 0.00 C ATOM 592 NE ARG A 37 64.657 -12.770 22.935 1.00 0.00 N ATOM 593 CZ ARG A 37 64.092 -13.532 23.866 1.00 0.00 C ATOM 594 NH1 ARG A 37 64.692 -14.616 24.274 1.00 0.00 N ATOM 595 NH2 ARG A 37 62.937 -13.194 24.373 1.00 0.00 N ATOM 0 H ARG A 37 64.706 -8.674 18.046 1.00 0.00 H new ATOM 0 HA ARG A 37 65.295 -7.915 20.803 1.00 0.00 H new ATOM 0 HB2 ARG A 37 63.480 -9.204 21.474 1.00 0.00 H new ATOM 0 HB3 ARG A 37 63.475 -10.165 20.009 1.00 0.00 H new ATOM 0 HG2 ARG A 37 65.331 -11.515 20.752 1.00 0.00 H new ATOM 0 HG3 ARG A 37 65.764 -10.376 22.010 1.00 0.00 H new ATOM 0 HD2 ARG A 37 63.772 -10.906 23.306 1.00 0.00 H new ATOM 0 HD3 ARG A 37 63.064 -11.801 21.976 1.00 0.00 H new ATOM 0 HE ARG A 37 65.560 -13.041 22.545 1.00 0.00 H new ATOM 0 HH11 ARG A 37 65.595 -14.879 23.879 1.00 0.00 H new ATOM 0 HH12 ARG A 37 64.258 -15.201 24.988 1.00 0.00 H new ATOM 0 HH21 ARG A 37 62.469 -12.346 24.055 1.00 0.00 H new ATOM 0 HH22 ARG A 37 62.503 -13.778 25.087 1.00 0.00 H new ATOM 609 N ASN A 38 67.434 -9.156 20.559 1.00 0.00 N ATOM 610 CA ASN A 38 68.737 -9.772 20.336 1.00 0.00 C ATOM 611 C ASN A 38 68.828 -11.110 21.062 1.00 0.00 C ATOM 612 O ASN A 38 68.107 -11.351 22.031 1.00 0.00 O ATOM 613 CB ASN A 38 69.845 -8.842 20.834 1.00 0.00 C ATOM 614 CG ASN A 38 69.914 -7.598 19.955 1.00 0.00 C ATOM 615 OD1 ASN A 38 69.376 -7.587 18.847 1.00 0.00 O ATOM 616 ND2 ASN A 38 70.548 -6.540 20.385 1.00 0.00 N ATOM 0 H ASN A 38 67.398 -8.510 21.348 1.00 0.00 H new ATOM 0 HA ASN A 38 68.860 -9.943 19.267 1.00 0.00 H new ATOM 0 HB2 ASN A 38 69.654 -8.557 21.869 1.00 0.00 H new ATOM 0 HB3 ASN A 38 70.803 -9.362 20.818 1.00 0.00 H new ATOM 0 HD21 ASN A 38 70.598 -5.704 19.803 1.00 0.00 H new ATOM 0 HD22 ASN A 38 70.993 -6.550 21.303 1.00 0.00 H new ATOM 623 N ASP A 39 69.718 -11.976 20.588 1.00 0.00 N ATOM 624 CA ASP A 39 69.895 -13.287 21.200 1.00 0.00 C ATOM 625 C ASP A 39 70.153 -13.150 22.697 1.00 0.00 C ATOM 626 O ASP A 39 69.910 -14.080 23.467 1.00 0.00 O ATOM 627 CB ASP A 39 71.068 -14.016 20.543 1.00 0.00 C ATOM 628 CG ASP A 39 72.335 -13.175 20.659 1.00 0.00 C ATOM 629 OD1 ASP A 39 72.243 -12.069 21.165 1.00 0.00 O ATOM 630 OD2 ASP A 39 73.378 -13.650 20.240 1.00 0.00 O ATOM 0 H ASP A 39 70.324 -11.795 19.788 1.00 0.00 H new ATOM 0 HA ASP A 39 68.981 -13.862 21.052 1.00 0.00 H new ATOM 0 HB2 ASP A 39 71.219 -14.984 21.021 1.00 0.00 H new ATOM 0 HB3 ASP A 39 70.845 -14.210 19.494 1.00 0.00 H new ATOM 635 N GLU A 40 70.646 -11.985 23.103 1.00 0.00 N ATOM 636 CA GLU A 40 70.934 -11.738 24.512 1.00 0.00 C ATOM 637 C GLU A 40 69.640 -11.568 25.302 1.00 0.00 C ATOM 638 O GLU A 40 69.659 -11.464 26.528 1.00 0.00 O ATOM 639 CB GLU A 40 71.791 -10.479 24.657 1.00 0.00 C ATOM 640 CG GLU A 40 73.173 -10.729 24.051 1.00 0.00 C ATOM 641 CD GLU A 40 73.972 -9.431 24.017 1.00 0.00 C ATOM 642 OE1 GLU A 40 73.388 -8.393 24.283 1.00 0.00 O ATOM 643 OE2 GLU A 40 75.154 -9.493 23.727 1.00 0.00 O ATOM 0 H GLU A 40 70.853 -11.202 22.483 1.00 0.00 H new ATOM 0 HA GLU A 40 71.478 -12.596 24.908 1.00 0.00 H new ATOM 0 HB2 GLU A 40 71.309 -9.639 24.156 1.00 0.00 H new ATOM 0 HB3 GLU A 40 71.887 -10.211 25.709 1.00 0.00 H new ATOM 0 HG2 GLU A 40 73.706 -11.478 24.637 1.00 0.00 H new ATOM 0 HG3 GLU A 40 73.070 -11.128 23.042 1.00 0.00 H new ATOM 650 N GLY A 41 68.517 -11.542 24.591 1.00 0.00 N ATOM 651 CA GLY A 41 67.219 -11.385 25.237 1.00 0.00 C ATOM 652 C GLY A 41 66.904 -9.913 25.478 1.00 0.00 C ATOM 653 O GLY A 41 66.065 -9.576 26.314 1.00 0.00 O ATOM 0 H GLY A 41 68.479 -11.627 23.575 1.00 0.00 H new ATOM 0 HA2 GLY A 41 66.443 -11.830 24.614 1.00 0.00 H new ATOM 0 HA3 GLY A 41 67.213 -11.922 26.186 1.00 0.00 H new ATOM 657 N THR A 42 67.583 -9.040 24.741 1.00 0.00 N ATOM 658 CA THR A 42 67.367 -7.604 24.884 1.00 0.00 C ATOM 659 C THR A 42 66.260 -7.133 23.947 1.00 0.00 C ATOM 660 O THR A 42 66.390 -7.216 22.725 1.00 0.00 O ATOM 661 CB THR A 42 68.660 -6.848 24.571 1.00 0.00 C ATOM 662 OG1 THR A 42 69.471 -6.797 25.737 1.00 0.00 O ATOM 663 CG2 THR A 42 68.325 -5.426 24.118 1.00 0.00 C ATOM 0 H THR A 42 68.282 -9.298 24.044 1.00 0.00 H new ATOM 0 HA THR A 42 67.068 -7.401 25.912 1.00 0.00 H new ATOM 0 HB THR A 42 69.199 -7.363 23.775 1.00 0.00 H new ATOM 0 HG1 THR A 42 70.300 -6.315 25.538 1.00 0.00 H new ATOM 0 HG21 THR A 42 69.247 -4.888 23.895 1.00 0.00 H new ATOM 0 HG22 THR A 42 67.703 -5.466 23.224 1.00 0.00 H new ATOM 0 HG23 THR A 42 67.786 -4.909 24.912 1.00 0.00 H new ATOM 671 N GLU A 43 65.170 -6.640 24.527 1.00 0.00 N ATOM 672 CA GLU A 43 64.046 -6.158 23.733 1.00 0.00 C ATOM 673 C GLU A 43 64.295 -4.729 23.261 1.00 0.00 C ATOM 674 O GLU A 43 64.194 -3.781 24.040 1.00 0.00 O ATOM 675 CB GLU A 43 62.761 -6.206 24.563 1.00 0.00 C ATOM 676 CG GLU A 43 62.394 -7.664 24.850 1.00 0.00 C ATOM 677 CD GLU A 43 61.141 -7.723 25.718 1.00 0.00 C ATOM 678 OE1 GLU A 43 60.694 -6.674 26.151 1.00 0.00 O ATOM 679 OE2 GLU A 43 60.648 -8.818 25.938 1.00 0.00 O ATOM 0 H GLU A 43 65.042 -6.564 25.536 1.00 0.00 H new ATOM 0 HA GLU A 43 63.940 -6.803 22.861 1.00 0.00 H new ATOM 0 HB2 GLU A 43 62.899 -5.664 25.498 1.00 0.00 H new ATOM 0 HB3 GLU A 43 61.950 -5.714 24.026 1.00 0.00 H new ATOM 0 HG2 GLU A 43 62.224 -8.196 23.914 1.00 0.00 H new ATOM 0 HG3 GLU A 43 63.221 -8.164 25.355 1.00 0.00 H new ATOM 686 N ALA A 44 64.622 -4.583 21.980 1.00 0.00 N ATOM 687 CA ALA A 44 64.882 -3.264 21.415 1.00 0.00 C ATOM 688 C ALA A 44 63.688 -2.786 20.596 1.00 0.00 C ATOM 689 O ALA A 44 63.547 -3.137 19.424 1.00 0.00 O ATOM 690 CB ALA A 44 66.126 -3.314 20.526 1.00 0.00 C ATOM 0 H ALA A 44 64.713 -5.355 21.319 1.00 0.00 H new ATOM 0 HA ALA A 44 65.048 -2.565 22.234 1.00 0.00 H new ATOM 0 HB1 ALA A 44 66.314 -2.325 20.107 1.00 0.00 H new ATOM 0 HB2 ALA A 44 66.985 -3.626 21.120 1.00 0.00 H new ATOM 0 HB3 ALA A 44 65.966 -4.026 19.717 1.00 0.00 H new ATOM 696 N GLU A 45 62.831 -1.985 21.219 1.00 0.00 N ATOM 697 CA GLU A 45 61.651 -1.465 20.537 1.00 0.00 C ATOM 698 C GLU A 45 62.007 -1.008 19.126 1.00 0.00 C ATOM 699 O GLU A 45 62.865 -0.146 18.940 1.00 0.00 O ATOM 700 CB GLU A 45 61.064 -0.295 21.329 1.00 0.00 C ATOM 701 CG GLU A 45 60.411 -0.823 22.608 1.00 0.00 C ATOM 702 CD GLU A 45 59.995 0.343 23.499 1.00 0.00 C ATOM 703 OE1 GLU A 45 59.244 0.110 24.432 1.00 0.00 O ATOM 704 OE2 GLU A 45 60.433 1.450 23.236 1.00 0.00 O ATOM 0 H GLU A 45 62.929 -1.683 22.188 1.00 0.00 H new ATOM 0 HA GLU A 45 60.910 -2.261 20.469 1.00 0.00 H new ATOM 0 HB2 GLU A 45 61.848 0.420 21.577 1.00 0.00 H new ATOM 0 HB3 GLU A 45 60.328 0.235 20.724 1.00 0.00 H new ATOM 0 HG2 GLU A 45 59.541 -1.430 22.358 1.00 0.00 H new ATOM 0 HG3 GLU A 45 61.107 -1.469 23.142 1.00 0.00 H new ATOM 711 N ALA A 46 61.340 -1.592 18.136 1.00 0.00 N ATOM 712 CA ALA A 46 61.594 -1.237 16.744 1.00 0.00 C ATOM 713 C ALA A 46 61.047 0.154 16.438 1.00 0.00 C ATOM 714 O ALA A 46 61.211 0.665 15.331 1.00 0.00 O ATOM 715 CB ALA A 46 60.939 -2.261 15.815 1.00 0.00 C ATOM 0 H ALA A 46 60.625 -2.307 18.269 1.00 0.00 H new ATOM 0 HA ALA A 46 62.672 -1.236 16.580 1.00 0.00 H new ATOM 0 HB1 ALA A 46 61.134 -1.988 14.778 1.00 0.00 H new ATOM 0 HB2 ALA A 46 61.353 -3.250 16.014 1.00 0.00 H new ATOM 0 HB3 ALA A 46 59.863 -2.276 15.990 1.00 0.00 H new ATOM 721 N ASN A 47 60.396 0.758 17.427 1.00 0.00 N ATOM 722 CA ASN A 47 59.828 2.090 17.252 1.00 0.00 C ATOM 723 C ASN A 47 60.593 3.113 18.085 1.00 0.00 C ATOM 724 O ASN A 47 60.068 4.175 18.416 1.00 0.00 O ATOM 725 CB ASN A 47 58.356 2.088 17.668 1.00 0.00 C ATOM 726 CG ASN A 47 57.571 1.104 16.807 1.00 0.00 C ATOM 727 OD1 ASN A 47 57.788 1.026 15.598 1.00 0.00 O ATOM 728 ND2 ASN A 47 56.666 0.343 17.361 1.00 0.00 N ATOM 0 H ASN A 47 60.249 0.351 18.351 1.00 0.00 H new ATOM 0 HA ASN A 47 59.908 2.363 16.200 1.00 0.00 H new ATOM 0 HB2 ASN A 47 58.267 1.815 18.719 1.00 0.00 H new ATOM 0 HB3 ASN A 47 57.939 3.089 17.563 1.00 0.00 H new ATOM 0 HD21 ASN A 47 56.137 -0.318 16.792 1.00 0.00 H new ATOM 0 HD22 ASN A 47 56.488 0.409 18.363 1.00 0.00 H new ATOM 735 N SER A 48 61.836 2.784 18.420 1.00 0.00 N ATOM 736 CA SER A 48 62.666 3.682 19.215 1.00 0.00 C ATOM 737 C SER A 48 64.088 3.725 18.665 1.00 0.00 C ATOM 738 O SER A 48 64.678 2.689 18.361 1.00 0.00 O ATOM 739 CB SER A 48 62.693 3.216 20.670 1.00 0.00 C ATOM 740 OG SER A 48 63.570 4.051 21.414 1.00 0.00 O ATOM 0 H SER A 48 62.288 1.909 18.156 1.00 0.00 H new ATOM 0 HA SER A 48 62.239 4.683 19.163 1.00 0.00 H new ATOM 0 HB2 SER A 48 61.690 3.253 21.094 1.00 0.00 H new ATOM 0 HB3 SER A 48 63.025 2.179 20.726 1.00 0.00 H new ATOM 0 HG SER A 48 63.588 3.756 22.348 1.00 0.00 H new ATOM 746 N VAL A 49 64.633 4.931 18.540 1.00 0.00 N ATOM 747 CA VAL A 49 65.987 5.097 18.025 1.00 0.00 C ATOM 748 C VAL A 49 67.004 4.493 18.989 1.00 0.00 C ATOM 749 O VAL A 49 68.058 4.012 18.572 1.00 0.00 O ATOM 750 CB VAL A 49 66.291 6.582 17.825 1.00 0.00 C ATOM 751 CG1 VAL A 49 67.204 6.758 16.611 1.00 0.00 C ATOM 752 CG2 VAL A 49 64.983 7.342 17.593 1.00 0.00 C ATOM 0 H VAL A 49 64.162 5.801 18.786 1.00 0.00 H new ATOM 0 HA VAL A 49 66.058 4.580 17.068 1.00 0.00 H new ATOM 0 HB VAL A 49 66.788 6.974 18.712 1.00 0.00 H new ATOM 0 HG11 VAL A 49 67.420 7.817 16.469 1.00 0.00 H new ATOM 0 HG12 VAL A 49 68.135 6.216 16.775 1.00 0.00 H new ATOM 0 HG13 VAL A 49 66.708 6.367 15.723 1.00 0.00 H new ATOM 0 HG21 VAL A 49 65.198 8.401 17.450 1.00 0.00 H new ATOM 0 HG22 VAL A 49 64.487 6.950 16.705 1.00 0.00 H new ATOM 0 HG23 VAL A 49 64.331 7.217 18.458 1.00 0.00 H new ATOM 762 N ILE A 50 66.681 4.523 20.278 1.00 0.00 N ATOM 763 CA ILE A 50 67.577 3.976 21.291 1.00 0.00 C ATOM 764 C ILE A 50 67.797 2.484 21.064 1.00 0.00 C ATOM 765 O ILE A 50 68.907 1.977 21.233 1.00 0.00 O ATOM 766 CB ILE A 50 66.986 4.200 22.684 1.00 0.00 C ATOM 767 CG1 ILE A 50 66.981 5.696 23.000 1.00 0.00 C ATOM 768 CG2 ILE A 50 67.834 3.463 23.723 1.00 0.00 C ATOM 769 CD1 ILE A 50 66.060 5.965 24.192 1.00 0.00 C ATOM 0 H ILE A 50 65.814 4.916 20.644 1.00 0.00 H new ATOM 0 HA ILE A 50 68.536 4.488 21.215 1.00 0.00 H new ATOM 0 HB ILE A 50 65.965 3.818 22.711 1.00 0.00 H new ATOM 0 HG12 ILE A 50 67.993 6.034 23.225 1.00 0.00 H new ATOM 0 HG13 ILE A 50 66.643 6.261 22.131 1.00 0.00 H new ATOM 0 HG21 ILE A 50 67.413 3.623 24.716 1.00 0.00 H new ATOM 0 HG22 ILE A 50 67.839 2.396 23.498 1.00 0.00 H new ATOM 0 HG23 ILE A 50 68.855 3.844 23.696 1.00 0.00 H new ATOM 0 HD11 ILE A 50 66.057 7.032 24.416 1.00 0.00 H new ATOM 0 HD12 ILE A 50 65.047 5.643 23.949 1.00 0.00 H new ATOM 0 HD13 ILE A 50 66.418 5.413 25.061 1.00 0.00 H new ATOM 781 N ALA A 51 66.734 1.784 20.679 1.00 0.00 N ATOM 782 CA ALA A 51 66.825 0.351 20.432 1.00 0.00 C ATOM 783 C ALA A 51 67.659 0.072 19.184 1.00 0.00 C ATOM 784 O ALA A 51 68.454 -0.866 19.154 1.00 0.00 O ATOM 785 CB ALA A 51 65.424 -0.238 20.252 1.00 0.00 C ATOM 0 H ALA A 51 65.807 2.183 20.533 1.00 0.00 H new ATOM 0 HA ALA A 51 67.309 -0.115 21.290 1.00 0.00 H new ATOM 0 HB1 ALA A 51 65.501 -1.310 20.068 1.00 0.00 H new ATOM 0 HB2 ALA A 51 64.838 -0.066 21.155 1.00 0.00 H new ATOM 0 HB3 ALA A 51 64.934 0.242 19.405 1.00 0.00 H new ATOM 791 N LEU A 52 67.471 0.896 18.159 1.00 0.00 N ATOM 792 CA LEU A 52 68.212 0.730 16.913 1.00 0.00 C ATOM 793 C LEU A 52 69.711 0.860 17.161 1.00 0.00 C ATOM 794 O LEU A 52 70.512 0.120 16.589 1.00 0.00 O ATOM 795 CB LEU A 52 67.768 1.783 15.896 1.00 0.00 C ATOM 796 CG LEU A 52 66.321 1.513 15.481 1.00 0.00 C ATOM 797 CD1 LEU A 52 65.851 2.611 14.525 1.00 0.00 C ATOM 798 CD2 LEU A 52 66.238 0.156 14.778 1.00 0.00 C ATOM 0 H LEU A 52 66.818 1.679 18.165 1.00 0.00 H new ATOM 0 HA LEU A 52 68.005 -0.265 16.519 1.00 0.00 H new ATOM 0 HB2 LEU A 52 67.854 2.780 16.328 1.00 0.00 H new ATOM 0 HB3 LEU A 52 68.419 1.757 15.022 1.00 0.00 H new ATOM 0 HG LEU A 52 65.685 1.505 16.366 1.00 0.00 H new ATOM 0 HD11 LEU A 52 64.820 2.419 14.229 1.00 0.00 H new ATOM 0 HD12 LEU A 52 65.911 3.578 15.024 1.00 0.00 H new ATOM 0 HD13 LEU A 52 66.487 2.619 13.640 1.00 0.00 H new ATOM 0 HD21 LEU A 52 65.207 -0.038 14.482 1.00 0.00 H new ATOM 0 HD22 LEU A 52 66.874 0.165 13.893 1.00 0.00 H new ATOM 0 HD23 LEU A 52 66.573 -0.627 15.458 1.00 0.00 H new ATOM 810 N LEU A 53 70.085 1.806 18.017 1.00 0.00 N ATOM 811 CA LEU A 53 71.491 2.024 18.333 1.00 0.00 C ATOM 812 C LEU A 53 72.083 0.799 19.023 1.00 0.00 C ATOM 813 O LEU A 53 73.226 0.422 18.766 1.00 0.00 O ATOM 814 CB LEU A 53 71.639 3.245 19.243 1.00 0.00 C ATOM 815 CG LEU A 53 72.045 4.459 18.407 1.00 0.00 C ATOM 816 CD1 LEU A 53 71.992 5.719 19.274 1.00 0.00 C ATOM 817 CD2 LEU A 53 73.470 4.261 17.883 1.00 0.00 C ATOM 0 H LEU A 53 69.439 2.429 18.501 1.00 0.00 H new ATOM 0 HA LEU A 53 72.030 2.197 17.401 1.00 0.00 H new ATOM 0 HB2 LEU A 53 70.699 3.443 19.759 1.00 0.00 H new ATOM 0 HB3 LEU A 53 72.389 3.051 20.010 1.00 0.00 H new ATOM 0 HG LEU A 53 71.358 4.568 17.567 1.00 0.00 H new ATOM 0 HD11 LEU A 53 72.282 6.584 18.677 1.00 0.00 H new ATOM 0 HD12 LEU A 53 70.978 5.860 19.649 1.00 0.00 H new ATOM 0 HD13 LEU A 53 72.678 5.612 20.114 1.00 0.00 H new ATOM 0 HD21 LEU A 53 73.762 5.125 17.287 1.00 0.00 H new ATOM 0 HD22 LEU A 53 74.155 4.152 18.724 1.00 0.00 H new ATOM 0 HD23 LEU A 53 73.509 3.364 17.265 1.00 0.00 H new ATOM 829 N MET A 54 71.296 0.181 19.898 1.00 0.00 N ATOM 830 CA MET A 54 71.753 -1.001 20.619 1.00 0.00 C ATOM 831 C MET A 54 71.874 -2.192 19.673 1.00 0.00 C ATOM 832 O MET A 54 72.807 -2.988 19.778 1.00 0.00 O ATOM 833 CB MET A 54 70.773 -1.338 21.744 1.00 0.00 C ATOM 834 CG MET A 54 70.807 -0.232 22.799 1.00 0.00 C ATOM 835 SD MET A 54 69.502 -0.521 24.019 1.00 0.00 S ATOM 836 CE MET A 54 70.309 -1.883 24.895 1.00 0.00 C ATOM 0 H MET A 54 70.346 0.476 20.124 1.00 0.00 H new ATOM 0 HA MET A 54 72.734 -0.788 21.044 1.00 0.00 H new ATOM 0 HB2 MET A 54 69.765 -1.442 21.343 1.00 0.00 H new ATOM 0 HB3 MET A 54 71.037 -2.294 22.196 1.00 0.00 H new ATOM 0 HG2 MET A 54 71.780 -0.213 23.290 1.00 0.00 H new ATOM 0 HG3 MET A 54 70.669 0.740 22.326 1.00 0.00 H new ATOM 0 HE1 MET A 54 69.718 -2.792 24.778 1.00 0.00 H new ATOM 0 HE2 MET A 54 71.305 -2.042 24.482 1.00 0.00 H new ATOM 0 HE3 MET A 54 70.391 -1.637 25.954 1.00 0.00 H new ATOM 846 N LEU A 55 70.925 -2.307 18.749 1.00 0.00 N ATOM 847 CA LEU A 55 70.936 -3.405 17.789 1.00 0.00 C ATOM 848 C LEU A 55 72.163 -3.315 16.887 1.00 0.00 C ATOM 849 O LEU A 55 72.676 -4.330 16.418 1.00 0.00 O ATOM 850 CB LEU A 55 69.668 -3.366 16.936 1.00 0.00 C ATOM 851 CG LEU A 55 68.456 -3.708 17.804 1.00 0.00 C ATOM 852 CD1 LEU A 55 67.172 -3.447 17.016 1.00 0.00 C ATOM 853 CD2 LEU A 55 68.517 -5.186 18.202 1.00 0.00 C ATOM 0 H LEU A 55 70.144 -1.659 18.645 1.00 0.00 H new ATOM 0 HA LEU A 55 70.973 -4.345 18.340 1.00 0.00 H new ATOM 0 HB2 LEU A 55 69.545 -2.377 16.495 1.00 0.00 H new ATOM 0 HB3 LEU A 55 69.750 -4.075 16.112 1.00 0.00 H new ATOM 0 HG LEU A 55 68.464 -3.087 18.700 1.00 0.00 H new ATOM 0 HD11 LEU A 55 66.309 -3.691 17.635 1.00 0.00 H new ATOM 0 HD12 LEU A 55 67.128 -2.396 16.730 1.00 0.00 H new ATOM 0 HD13 LEU A 55 67.163 -4.068 16.120 1.00 0.00 H new ATOM 0 HD21 LEU A 55 67.654 -5.432 18.821 1.00 0.00 H new ATOM 0 HD22 LEU A 55 68.509 -5.805 17.305 1.00 0.00 H new ATOM 0 HD23 LEU A 55 69.432 -5.374 18.764 1.00 0.00 H new ATOM 865 N ASP A 56 72.626 -2.092 16.649 1.00 0.00 N ATOM 866 CA ASP A 56 73.793 -1.880 15.800 1.00 0.00 C ATOM 867 C ASP A 56 74.973 -2.711 16.294 1.00 0.00 C ATOM 868 O ASP A 56 75.766 -3.214 15.499 1.00 0.00 O ATOM 869 CB ASP A 56 74.174 -0.399 15.797 1.00 0.00 C ATOM 870 CG ASP A 56 73.182 0.393 14.954 1.00 0.00 C ATOM 871 OD1 ASP A 56 72.402 -0.228 14.252 1.00 0.00 O ATOM 872 OD2 ASP A 56 73.216 1.612 15.023 1.00 0.00 O ATOM 0 H ASP A 56 72.215 -1.239 17.028 1.00 0.00 H new ATOM 0 HA ASP A 56 73.543 -2.192 14.786 1.00 0.00 H new ATOM 0 HB2 ASP A 56 74.184 -0.016 16.817 1.00 0.00 H new ATOM 0 HB3 ASP A 56 75.182 -0.275 15.400 1.00 0.00 H new ATOM 877 N SER A 57 75.083 -2.849 17.612 1.00 0.00 N ATOM 878 CA SER A 57 76.171 -3.621 18.200 1.00 0.00 C ATOM 879 C SER A 57 75.941 -5.115 17.994 1.00 0.00 C ATOM 880 O SER A 57 76.789 -5.936 18.342 1.00 0.00 O ATOM 881 CB SER A 57 76.273 -3.321 19.696 1.00 0.00 C ATOM 882 OG SER A 57 76.650 -1.963 19.878 1.00 0.00 O ATOM 0 H SER A 57 74.438 -2.440 18.288 1.00 0.00 H new ATOM 0 HA SER A 57 77.101 -3.337 17.707 1.00 0.00 H new ATOM 0 HB2 SER A 57 75.317 -3.513 20.183 1.00 0.00 H new ATOM 0 HB3 SER A 57 77.006 -3.980 20.162 1.00 0.00 H new ATOM 0 HG SER A 57 76.715 -1.767 20.836 1.00 0.00 H new ATOM 888 N ALA A 58 74.790 -5.459 17.425 1.00 0.00 N ATOM 889 CA ALA A 58 74.461 -6.858 17.177 1.00 0.00 C ATOM 890 C ALA A 58 75.170 -7.361 15.924 1.00 0.00 C ATOM 891 O ALA A 58 74.676 -8.253 15.236 1.00 0.00 O ATOM 892 CB ALA A 58 72.948 -7.015 17.007 1.00 0.00 C ATOM 0 H ALA A 58 74.075 -4.794 17.129 1.00 0.00 H new ATOM 0 HA ALA A 58 74.795 -7.448 18.031 1.00 0.00 H new ATOM 0 HB1 ALA A 58 72.709 -8.062 16.822 1.00 0.00 H new ATOM 0 HB2 ALA A 58 72.443 -6.683 17.914 1.00 0.00 H new ATOM 0 HB3 ALA A 58 72.612 -6.412 16.163 1.00 0.00 H new ATOM 898 N LYS A 59 76.332 -6.784 15.636 1.00 0.00 N ATOM 899 CA LYS A 59 77.102 -7.183 14.463 1.00 0.00 C ATOM 900 C LYS A 59 77.683 -8.581 14.654 1.00 0.00 C ATOM 901 O LYS A 59 78.720 -8.750 15.294 1.00 0.00 O ATOM 902 CB LYS A 59 78.235 -6.186 14.218 1.00 0.00 C ATOM 903 CG LYS A 59 78.818 -5.735 15.559 1.00 0.00 C ATOM 904 CD LYS A 59 80.165 -5.048 15.326 1.00 0.00 C ATOM 905 CE LYS A 59 80.602 -4.333 16.605 1.00 0.00 C ATOM 906 NZ LYS A 59 80.732 -5.325 17.709 1.00 0.00 N ATOM 0 H LYS A 59 76.759 -6.044 16.194 1.00 0.00 H new ATOM 0 HA LYS A 59 76.436 -7.194 13.600 1.00 0.00 H new ATOM 0 HB2 LYS A 59 79.012 -6.646 13.608 1.00 0.00 H new ATOM 0 HB3 LYS A 59 77.862 -5.325 13.664 1.00 0.00 H new ATOM 0 HG2 LYS A 59 78.130 -5.050 16.055 1.00 0.00 H new ATOM 0 HG3 LYS A 59 78.945 -6.593 16.219 1.00 0.00 H new ATOM 0 HD2 LYS A 59 80.914 -5.784 15.034 1.00 0.00 H new ATOM 0 HD3 LYS A 59 80.084 -4.333 14.507 1.00 0.00 H new ATOM 0 HE2 LYS A 59 81.553 -3.826 16.444 1.00 0.00 H new ATOM 0 HE3 LYS A 59 79.874 -3.568 16.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 81.278 -4.907 18.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 79.786 -5.590 18.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 81.223 -6.172 17.358 1.00 0.00 H new ATOM 920 N GLY A 60 77.007 -9.579 14.093 1.00 0.00 N ATOM 921 CA GLY A 60 77.467 -10.958 14.208 1.00 0.00 C ATOM 922 C GLY A 60 76.626 -11.730 15.219 1.00 0.00 C ATOM 923 O GLY A 60 76.934 -12.873 15.553 1.00 0.00 O ATOM 0 H GLY A 60 76.146 -9.460 13.559 1.00 0.00 H new ATOM 0 HA2 GLY A 60 77.412 -11.446 13.235 1.00 0.00 H new ATOM 0 HA3 GLY A 60 78.513 -10.972 14.513 1.00 0.00 H new ATOM 927 N ARG A 61 75.562 -11.096 15.703 1.00 0.00 N ATOM 928 CA ARG A 61 74.684 -11.733 16.677 1.00 0.00 C ATOM 929 C ARG A 61 73.327 -12.045 16.052 1.00 0.00 C ATOM 930 O ARG A 61 72.931 -11.425 15.064 1.00 0.00 O ATOM 931 CB ARG A 61 74.490 -10.816 17.886 1.00 0.00 C ATOM 932 CG ARG A 61 75.832 -10.616 18.595 1.00 0.00 C ATOM 933 CD ARG A 61 75.604 -9.886 19.920 1.00 0.00 C ATOM 934 NE ARG A 61 76.880 -9.609 20.569 1.00 0.00 N ATOM 935 CZ ARG A 61 77.514 -10.544 21.269 1.00 0.00 C ATOM 936 NH1 ARG A 61 78.655 -10.272 21.841 1.00 0.00 N ATOM 937 NH2 ARG A 61 76.993 -11.735 21.386 1.00 0.00 N ATOM 0 H ARG A 61 75.289 -10.149 15.439 1.00 0.00 H new ATOM 0 HA ARG A 61 75.148 -12.665 16.999 1.00 0.00 H new ATOM 0 HB2 ARG A 61 74.089 -9.854 17.566 1.00 0.00 H new ATOM 0 HB3 ARG A 61 73.765 -11.251 18.573 1.00 0.00 H new ATOM 0 HG2 ARG A 61 76.307 -11.580 18.776 1.00 0.00 H new ATOM 0 HG3 ARG A 61 76.508 -10.041 17.962 1.00 0.00 H new ATOM 0 HD2 ARG A 61 75.068 -8.954 19.742 1.00 0.00 H new ATOM 0 HD3 ARG A 61 74.979 -10.493 20.575 1.00 0.00 H new ATOM 0 HE ARG A 61 77.294 -8.680 20.484 1.00 0.00 H new ATOM 0 HH11 ARG A 61 79.061 -9.341 21.751 1.00 0.00 H new ATOM 0 HH12 ARG A 61 79.140 -10.991 22.378 1.00 0.00 H new ATOM 0 HH21 ARG A 61 76.100 -11.947 20.940 1.00 0.00 H new ATOM 0 HH22 ARG A 61 77.479 -12.454 21.923 1.00 0.00 H new ATOM 951 N GLN A 62 72.621 -13.009 16.633 1.00 0.00 N ATOM 952 CA GLN A 62 71.310 -13.395 16.124 1.00 0.00 C ATOM 953 C GLN A 62 70.208 -12.611 16.831 1.00 0.00 C ATOM 954 O GLN A 62 70.304 -12.326 18.024 1.00 0.00 O ATOM 955 CB GLN A 62 71.088 -14.894 16.336 1.00 0.00 C ATOM 956 CG GLN A 62 72.021 -15.684 15.415 1.00 0.00 C ATOM 957 CD GLN A 62 71.978 -17.164 15.776 1.00 0.00 C ATOM 958 OE1 GLN A 62 71.754 -17.516 16.934 1.00 0.00 O ATOM 959 NE2 GLN A 62 72.182 -18.060 14.847 1.00 0.00 N ATOM 0 H GLN A 62 72.931 -13.534 17.451 1.00 0.00 H new ATOM 0 HA GLN A 62 71.274 -13.169 15.058 1.00 0.00 H new ATOM 0 HB2 GLN A 62 71.279 -15.157 17.376 1.00 0.00 H new ATOM 0 HB3 GLN A 62 70.050 -15.152 16.127 1.00 0.00 H new ATOM 0 HG2 GLN A 62 71.723 -15.546 14.376 1.00 0.00 H new ATOM 0 HG3 GLN A 62 73.040 -15.308 15.507 1.00 0.00 H new ATOM 0 HE21 GLN A 62 72.367 -17.767 13.888 1.00 0.00 H new ATOM 0 HE22 GLN A 62 72.156 -19.052 15.081 1.00 0.00 H new ATOM 968 N ILE A 63 69.163 -12.265 16.086 1.00 0.00 N ATOM 969 CA ILE A 63 68.049 -11.514 16.653 1.00 0.00 C ATOM 970 C ILE A 63 66.720 -12.172 16.291 1.00 0.00 C ATOM 971 O ILE A 63 66.650 -12.984 15.369 1.00 0.00 O ATOM 972 CB ILE A 63 68.068 -10.077 16.129 1.00 0.00 C ATOM 973 CG1 ILE A 63 67.820 -10.082 14.619 1.00 0.00 C ATOM 974 CG2 ILE A 63 69.432 -9.447 16.418 1.00 0.00 C ATOM 975 CD1 ILE A 63 67.826 -8.645 14.096 1.00 0.00 C ATOM 0 H ILE A 63 69.064 -12.490 15.096 1.00 0.00 H new ATOM 0 HA ILE A 63 68.155 -11.507 17.738 1.00 0.00 H new ATOM 0 HB ILE A 63 67.288 -9.499 16.624 1.00 0.00 H new ATOM 0 HG12 ILE A 63 68.590 -10.667 14.115 1.00 0.00 H new ATOM 0 HG13 ILE A 63 66.864 -10.557 14.398 1.00 0.00 H new ATOM 0 HG21 ILE A 63 69.446 -8.423 16.045 1.00 0.00 H new ATOM 0 HG22 ILE A 63 69.611 -9.444 17.493 1.00 0.00 H new ATOM 0 HG23 ILE A 63 70.212 -10.025 15.922 1.00 0.00 H new ATOM 0 HD11 ILE A 63 67.649 -8.649 13.020 1.00 0.00 H new ATOM 0 HD12 ILE A 63 67.040 -8.074 14.591 1.00 0.00 H new ATOM 0 HD13 ILE A 63 68.793 -8.186 14.303 1.00 0.00 H new ATOM 987 N GLU A 64 65.670 -11.815 17.023 1.00 0.00 N ATOM 988 CA GLU A 64 64.348 -12.376 16.769 1.00 0.00 C ATOM 989 C GLU A 64 63.341 -11.268 16.481 1.00 0.00 C ATOM 990 O GLU A 64 62.910 -10.556 17.388 1.00 0.00 O ATOM 991 CB GLU A 64 63.885 -13.188 17.980 1.00 0.00 C ATOM 992 CG GLU A 64 65.087 -13.888 18.618 1.00 0.00 C ATOM 993 CD GLU A 64 64.621 -14.794 19.752 1.00 0.00 C ATOM 994 OE1 GLU A 64 63.705 -14.404 20.456 1.00 0.00 O ATOM 995 OE2 GLU A 64 65.189 -15.864 19.900 1.00 0.00 O ATOM 0 H GLU A 64 65.707 -11.145 17.791 1.00 0.00 H new ATOM 0 HA GLU A 64 64.412 -13.027 15.897 1.00 0.00 H new ATOM 0 HB2 GLU A 64 63.404 -12.534 18.707 1.00 0.00 H new ATOM 0 HB3 GLU A 64 63.142 -13.925 17.674 1.00 0.00 H new ATOM 0 HG2 GLU A 64 65.617 -14.474 17.868 1.00 0.00 H new ATOM 0 HG3 GLU A 64 65.790 -13.147 18.999 1.00 0.00 H new ATOM 1002 N VAL A 65 62.970 -11.127 15.212 1.00 0.00 N ATOM 1003 CA VAL A 65 62.013 -10.101 14.816 1.00 0.00 C ATOM 1004 C VAL A 65 60.583 -10.608 14.982 1.00 0.00 C ATOM 1005 O VAL A 65 60.244 -11.698 14.521 1.00 0.00 O ATOM 1006 CB VAL A 65 62.248 -9.702 13.358 1.00 0.00 C ATOM 1007 CG1 VAL A 65 61.282 -8.581 12.973 1.00 0.00 C ATOM 1008 CG2 VAL A 65 63.688 -9.213 13.191 1.00 0.00 C ATOM 0 H VAL A 65 63.315 -11.706 14.446 1.00 0.00 H new ATOM 0 HA VAL A 65 62.155 -9.232 15.458 1.00 0.00 H new ATOM 0 HB VAL A 65 62.078 -10.564 12.713 1.00 0.00 H new ATOM 0 HG11 VAL A 65 61.450 -8.297 11.934 1.00 0.00 H new ATOM 0 HG12 VAL A 65 60.256 -8.928 13.093 1.00 0.00 H new ATOM 0 HG13 VAL A 65 61.451 -7.718 13.617 1.00 0.00 H new ATOM 0 HG21 VAL A 65 63.857 -8.928 12.153 1.00 0.00 H new ATOM 0 HG22 VAL A 65 63.856 -8.351 13.836 1.00 0.00 H new ATOM 0 HG23 VAL A 65 64.377 -10.011 13.465 1.00 0.00 H new ATOM 1018 N GLU A 66 59.752 -9.812 15.644 1.00 0.00 N ATOM 1019 CA GLU A 66 58.361 -10.190 15.866 1.00 0.00 C ATOM 1020 C GLU A 66 57.420 -9.127 15.308 1.00 0.00 C ATOM 1021 O GLU A 66 57.674 -7.929 15.440 1.00 0.00 O ATOM 1022 CB GLU A 66 58.100 -10.370 17.363 1.00 0.00 C ATOM 1023 CG GLU A 66 56.613 -10.642 17.594 1.00 0.00 C ATOM 1024 CD GLU A 66 56.379 -11.072 19.039 1.00 0.00 C ATOM 1025 OE1 GLU A 66 57.339 -11.094 19.792 1.00 0.00 O ATOM 1026 OE2 GLU A 66 55.245 -11.373 19.371 1.00 0.00 O ATOM 0 H GLU A 66 60.014 -8.907 16.034 1.00 0.00 H new ATOM 0 HA GLU A 66 58.174 -11.131 15.349 1.00 0.00 H new ATOM 0 HB2 GLU A 66 58.696 -11.197 17.750 1.00 0.00 H new ATOM 0 HB3 GLU A 66 58.405 -9.476 17.906 1.00 0.00 H new ATOM 0 HG2 GLU A 66 56.033 -9.746 17.374 1.00 0.00 H new ATOM 0 HG3 GLU A 66 56.267 -11.420 16.914 1.00 0.00 H new ATOM 1033 N ALA A 67 56.335 -9.573 14.683 1.00 0.00 N ATOM 1034 CA ALA A 67 55.364 -8.648 14.107 1.00 0.00 C ATOM 1035 C ALA A 67 53.942 -9.125 14.385 1.00 0.00 C ATOM 1036 O ALA A 67 53.644 -10.314 14.282 1.00 0.00 O ATOM 1037 CB ALA A 67 55.580 -8.537 12.598 1.00 0.00 C ATOM 0 H ALA A 67 56.107 -10.560 14.563 1.00 0.00 H new ATOM 0 HA ALA A 67 55.505 -7.670 14.566 1.00 0.00 H new ATOM 0 HB1 ALA A 67 54.851 -7.845 12.176 1.00 0.00 H new ATOM 0 HB2 ALA A 67 56.587 -8.169 12.401 1.00 0.00 H new ATOM 0 HB3 ALA A 67 55.456 -9.518 12.140 1.00 0.00 H new ATOM 1043 N THR A 68 53.068 -8.187 14.737 1.00 0.00 N ATOM 1044 CA THR A 68 51.678 -8.523 15.028 1.00 0.00 C ATOM 1045 C THR A 68 50.735 -7.548 14.328 1.00 0.00 C ATOM 1046 O THR A 68 50.906 -6.333 14.417 1.00 0.00 O ATOM 1047 CB THR A 68 51.434 -8.477 16.538 1.00 0.00 C ATOM 1048 OG1 THR A 68 52.391 -9.296 17.195 1.00 0.00 O ATOM 1049 CG2 THR A 68 50.026 -8.989 16.845 1.00 0.00 C ATOM 0 H THR A 68 53.294 -7.197 14.827 1.00 0.00 H new ATOM 0 HA THR A 68 51.482 -9.530 14.660 1.00 0.00 H new ATOM 0 HB THR A 68 51.530 -7.450 16.891 1.00 0.00 H new ATOM 0 HG1 THR A 68 52.247 -9.254 18.164 1.00 0.00 H new ATOM 0 HG21 THR A 68 49.853 -8.956 17.921 1.00 0.00 H new ATOM 0 HG22 THR A 68 49.292 -8.361 16.340 1.00 0.00 H new ATOM 0 HG23 THR A 68 49.928 -10.016 16.493 1.00 0.00 H new ATOM 1057 N GLY A 69 49.740 -8.091 13.634 1.00 0.00 N ATOM 1058 CA GLY A 69 48.775 -7.260 12.923 1.00 0.00 C ATOM 1059 C GLY A 69 48.372 -7.903 11.600 1.00 0.00 C ATOM 1060 O GLY A 69 49.027 -8.830 11.123 1.00 0.00 O ATOM 0 H GLY A 69 49.581 -9.095 13.549 1.00 0.00 H new ATOM 0 HA2 GLY A 69 47.891 -7.111 13.543 1.00 0.00 H new ATOM 0 HA3 GLY A 69 49.204 -6.275 12.737 1.00 0.00 H new ATOM 1064 N PRO A 70 47.313 -7.425 11.008 1.00 0.00 N ATOM 1065 CA PRO A 70 46.804 -7.956 9.711 1.00 0.00 C ATOM 1066 C PRO A 70 47.917 -8.109 8.677 1.00 0.00 C ATOM 1067 O PRO A 70 47.973 -9.106 7.956 1.00 0.00 O ATOM 1068 CB PRO A 70 45.784 -6.906 9.265 1.00 0.00 C ATOM 1069 CG PRO A 70 45.324 -6.239 10.520 1.00 0.00 C ATOM 1070 CD PRO A 70 46.483 -6.322 11.515 1.00 0.00 C ATOM 0 HA PRO A 70 46.377 -8.953 9.816 1.00 0.00 H new ATOM 0 HB2 PRO A 70 46.234 -6.187 8.581 1.00 0.00 H new ATOM 0 HB3 PRO A 70 44.950 -7.368 8.738 1.00 0.00 H new ATOM 0 HG2 PRO A 70 45.052 -5.201 10.329 1.00 0.00 H new ATOM 0 HG3 PRO A 70 44.437 -6.733 10.917 1.00 0.00 H new ATOM 0 HD2 PRO A 70 47.043 -5.387 11.554 1.00 0.00 H new ATOM 0 HD3 PRO A 70 46.127 -6.523 12.526 1.00 0.00 H new ATOM 1078 N GLN A 71 48.798 -7.117 8.611 1.00 0.00 N ATOM 1079 CA GLN A 71 49.904 -7.154 7.662 1.00 0.00 C ATOM 1080 C GLN A 71 51.223 -7.406 8.386 1.00 0.00 C ATOM 1081 O GLN A 71 52.281 -6.965 7.940 1.00 0.00 O ATOM 1082 CB GLN A 71 49.984 -5.828 6.900 1.00 0.00 C ATOM 1083 CG GLN A 71 48.787 -5.710 5.954 1.00 0.00 C ATOM 1084 CD GLN A 71 48.801 -4.351 5.265 1.00 0.00 C ATOM 1085 OE1 GLN A 71 49.858 -3.873 4.853 1.00 0.00 O ATOM 1086 NE2 GLN A 71 47.683 -3.695 5.114 1.00 0.00 N ATOM 0 H GLN A 71 48.769 -6.284 9.198 1.00 0.00 H new ATOM 0 HA GLN A 71 49.727 -7.967 6.958 1.00 0.00 H new ATOM 0 HB2 GLN A 71 49.991 -4.993 7.601 1.00 0.00 H new ATOM 0 HB3 GLN A 71 50.914 -5.777 6.335 1.00 0.00 H new ATOM 0 HG2 GLN A 71 48.821 -6.505 5.209 1.00 0.00 H new ATOM 0 HG3 GLN A 71 47.859 -5.835 6.511 1.00 0.00 H new ATOM 0 HE21 GLN A 71 46.808 -4.093 5.456 1.00 0.00 H new ATOM 0 HE22 GLN A 71 47.684 -2.785 4.654 1.00 0.00 H new ATOM 1095 N GLU A 72 51.150 -8.118 9.506 1.00 0.00 N ATOM 1096 CA GLU A 72 52.346 -8.423 10.284 1.00 0.00 C ATOM 1097 C GLU A 72 53.361 -9.178 9.433 1.00 0.00 C ATOM 1098 O GLU A 72 54.567 -8.958 9.546 1.00 0.00 O ATOM 1099 CB GLU A 72 51.972 -9.266 11.506 1.00 0.00 C ATOM 1100 CG GLU A 72 51.422 -10.617 11.045 1.00 0.00 C ATOM 1101 CD GLU A 72 50.928 -11.414 12.247 1.00 0.00 C ATOM 1102 OE1 GLU A 72 51.706 -11.609 13.166 1.00 0.00 O ATOM 1103 OE2 GLU A 72 49.776 -11.820 12.232 1.00 0.00 O ATOM 0 H GLU A 72 50.283 -8.492 9.893 1.00 0.00 H new ATOM 0 HA GLU A 72 52.793 -7.485 10.613 1.00 0.00 H new ATOM 0 HB2 GLU A 72 52.846 -9.414 12.140 1.00 0.00 H new ATOM 0 HB3 GLU A 72 51.227 -8.744 12.107 1.00 0.00 H new ATOM 0 HG2 GLU A 72 50.606 -10.465 10.338 1.00 0.00 H new ATOM 0 HG3 GLU A 72 52.198 -11.176 10.521 1.00 0.00 H new ATOM 1110 N GLU A 73 52.865 -10.069 8.581 1.00 0.00 N ATOM 1111 CA GLU A 73 53.740 -10.852 7.714 1.00 0.00 C ATOM 1112 C GLU A 73 54.491 -9.942 6.749 1.00 0.00 C ATOM 1113 O GLU A 73 55.706 -10.057 6.589 1.00 0.00 O ATOM 1114 CB GLU A 73 52.916 -11.870 6.924 1.00 0.00 C ATOM 1115 CG GLU A 73 52.199 -12.810 7.894 1.00 0.00 C ATOM 1116 CD GLU A 73 51.447 -13.886 7.118 1.00 0.00 C ATOM 1117 OE1 GLU A 73 51.471 -13.836 5.899 1.00 0.00 O ATOM 1118 OE2 GLU A 73 50.858 -14.745 7.753 1.00 0.00 O ATOM 0 H GLU A 73 51.870 -10.267 8.472 1.00 0.00 H new ATOM 0 HA GLU A 73 54.464 -11.377 8.337 1.00 0.00 H new ATOM 0 HB2 GLU A 73 52.189 -11.356 6.295 1.00 0.00 H new ATOM 0 HB3 GLU A 73 53.564 -12.441 6.260 1.00 0.00 H new ATOM 0 HG2 GLU A 73 52.922 -13.273 8.566 1.00 0.00 H new ATOM 0 HG3 GLU A 73 51.504 -12.244 8.514 1.00 0.00 H new ATOM 1125 N GLU A 74 53.759 -9.036 6.106 1.00 0.00 N ATOM 1126 CA GLU A 74 54.368 -8.111 5.158 1.00 0.00 C ATOM 1127 C GLU A 74 55.500 -7.333 5.820 1.00 0.00 C ATOM 1128 O GLU A 74 56.598 -7.230 5.271 1.00 0.00 O ATOM 1129 CB GLU A 74 53.313 -7.134 4.632 1.00 0.00 C ATOM 1130 CG GLU A 74 52.308 -7.887 3.759 1.00 0.00 C ATOM 1131 CD GLU A 74 51.363 -6.900 3.082 1.00 0.00 C ATOM 1132 OE1 GLU A 74 51.528 -5.711 3.296 1.00 0.00 O ATOM 1133 OE2 GLU A 74 50.488 -7.349 2.361 1.00 0.00 O ATOM 0 H GLU A 74 52.752 -8.924 6.223 1.00 0.00 H new ATOM 0 HA GLU A 74 54.776 -8.687 4.328 1.00 0.00 H new ATOM 0 HB2 GLU A 74 52.799 -6.654 5.465 1.00 0.00 H new ATOM 0 HB3 GLU A 74 53.791 -6.343 4.054 1.00 0.00 H new ATOM 0 HG2 GLU A 74 52.835 -8.473 3.006 1.00 0.00 H new ATOM 0 HG3 GLU A 74 51.739 -8.589 4.368 1.00 0.00 H new ATOM 1140 N ALA A 75 55.226 -6.789 7.001 1.00 0.00 N ATOM 1141 CA ALA A 75 56.231 -6.023 7.729 1.00 0.00 C ATOM 1142 C ALA A 75 57.500 -6.847 7.918 1.00 0.00 C ATOM 1143 O ALA A 75 58.605 -6.371 7.654 1.00 0.00 O ATOM 1144 CB ALA A 75 55.682 -5.608 9.095 1.00 0.00 C ATOM 0 H ALA A 75 54.324 -6.863 7.471 1.00 0.00 H new ATOM 0 HA ALA A 75 56.473 -5.133 7.149 1.00 0.00 H new ATOM 0 HB1 ALA A 75 56.438 -5.036 9.633 1.00 0.00 H new ATOM 0 HB2 ALA A 75 54.792 -4.994 8.958 1.00 0.00 H new ATOM 0 HB3 ALA A 75 55.424 -6.498 9.669 1.00 0.00 H new ATOM 1150 N LEU A 76 57.336 -8.083 8.376 1.00 0.00 N ATOM 1151 CA LEU A 76 58.476 -8.964 8.596 1.00 0.00 C ATOM 1152 C LEU A 76 59.152 -9.306 7.272 1.00 0.00 C ATOM 1153 O LEU A 76 60.380 -9.330 7.179 1.00 0.00 O ATOM 1154 CB LEU A 76 58.017 -10.251 9.284 1.00 0.00 C ATOM 1155 CG LEU A 76 58.699 -10.372 10.648 1.00 0.00 C ATOM 1156 CD1 LEU A 76 58.105 -11.555 11.413 1.00 0.00 C ATOM 1157 CD2 LEU A 76 60.199 -10.597 10.449 1.00 0.00 C ATOM 0 H LEU A 76 56.431 -8.495 8.601 1.00 0.00 H new ATOM 0 HA LEU A 76 59.193 -8.447 9.234 1.00 0.00 H new ATOM 0 HB2 LEU A 76 56.934 -10.244 9.406 1.00 0.00 H new ATOM 0 HB3 LEU A 76 58.262 -11.114 8.665 1.00 0.00 H new ATOM 0 HG LEU A 76 58.540 -9.455 11.216 1.00 0.00 H new ATOM 0 HD11 LEU A 76 58.591 -11.641 12.385 1.00 0.00 H new ATOM 0 HD12 LEU A 76 57.036 -11.397 11.555 1.00 0.00 H new ATOM 0 HD13 LEU A 76 58.264 -12.472 10.846 1.00 0.00 H new ATOM 0 HD21 LEU A 76 60.686 -10.683 11.420 1.00 0.00 H new ATOM 0 HD22 LEU A 76 60.357 -11.514 9.881 1.00 0.00 H new ATOM 0 HD23 LEU A 76 60.624 -9.754 9.904 1.00 0.00 H new ATOM 1169 N ALA A 77 58.343 -9.569 6.251 1.00 0.00 N ATOM 1170 CA ALA A 77 58.875 -9.908 4.936 1.00 0.00 C ATOM 1171 C ALA A 77 59.742 -8.773 4.400 1.00 0.00 C ATOM 1172 O ALA A 77 60.822 -9.005 3.858 1.00 0.00 O ATOM 1173 CB ALA A 77 57.728 -10.181 3.963 1.00 0.00 C ATOM 0 H ALA A 77 57.325 -9.554 6.307 1.00 0.00 H new ATOM 0 HA ALA A 77 59.489 -10.804 5.033 1.00 0.00 H new ATOM 0 HB1 ALA A 77 58.134 -10.433 2.983 1.00 0.00 H new ATOM 0 HB2 ALA A 77 57.128 -11.013 4.332 1.00 0.00 H new ATOM 0 HB3 ALA A 77 57.103 -9.292 3.879 1.00 0.00 H new ATOM 1179 N ALA A 78 59.259 -7.543 4.555 1.00 0.00 N ATOM 1180 CA ALA A 78 59.998 -6.378 4.083 1.00 0.00 C ATOM 1181 C ALA A 78 61.344 -6.275 4.791 1.00 0.00 C ATOM 1182 O ALA A 78 62.369 -6.012 4.162 1.00 0.00 O ATOM 1183 CB ALA A 78 59.186 -5.107 4.339 1.00 0.00 C ATOM 0 H ALA A 78 58.367 -7.329 5.000 1.00 0.00 H new ATOM 0 HA ALA A 78 60.171 -6.489 3.013 1.00 0.00 H new ATOM 0 HB1 ALA A 78 59.744 -4.241 3.984 1.00 0.00 H new ATOM 0 HB2 ALA A 78 58.236 -5.169 3.808 1.00 0.00 H new ATOM 0 HB3 ALA A 78 58.998 -5.004 5.408 1.00 0.00 H new ATOM 1189 N VAL A 79 61.335 -6.487 6.103 1.00 0.00 N ATOM 1190 CA VAL A 79 62.562 -6.416 6.888 1.00 0.00 C ATOM 1191 C VAL A 79 63.498 -7.564 6.522 1.00 0.00 C ATOM 1192 O VAL A 79 64.701 -7.367 6.352 1.00 0.00 O ATOM 1193 CB VAL A 79 62.233 -6.479 8.379 1.00 0.00 C ATOM 1194 CG1 VAL A 79 63.531 -6.517 9.188 1.00 0.00 C ATOM 1195 CG2 VAL A 79 61.423 -5.243 8.775 1.00 0.00 C ATOM 0 H VAL A 79 60.498 -6.708 6.642 1.00 0.00 H new ATOM 0 HA VAL A 79 63.059 -5.471 6.667 1.00 0.00 H new ATOM 0 HB VAL A 79 61.651 -7.377 8.584 1.00 0.00 H new ATOM 0 HG11 VAL A 79 63.296 -6.562 10.251 1.00 0.00 H new ATOM 0 HG12 VAL A 79 64.109 -7.397 8.907 1.00 0.00 H new ATOM 0 HG13 VAL A 79 64.114 -5.619 8.983 1.00 0.00 H new ATOM 0 HG21 VAL A 79 61.188 -5.287 9.838 1.00 0.00 H new ATOM 0 HG22 VAL A 79 62.006 -4.345 8.569 1.00 0.00 H new ATOM 0 HG23 VAL A 79 60.498 -5.215 8.200 1.00 0.00 H new ATOM 1205 N ILE A 80 62.937 -8.762 6.401 1.00 0.00 N ATOM 1206 CA ILE A 80 63.731 -9.936 6.053 1.00 0.00 C ATOM 1207 C ILE A 80 64.316 -9.790 4.653 1.00 0.00 C ATOM 1208 O ILE A 80 65.468 -10.150 4.410 1.00 0.00 O ATOM 1209 CB ILE A 80 62.861 -11.192 6.117 1.00 0.00 C ATOM 1210 CG1 ILE A 80 62.623 -11.574 7.580 1.00 0.00 C ATOM 1211 CG2 ILE A 80 63.573 -12.342 5.402 1.00 0.00 C ATOM 1212 CD1 ILE A 80 61.574 -12.684 7.653 1.00 0.00 C ATOM 0 H ILE A 80 61.943 -8.946 6.537 1.00 0.00 H new ATOM 0 HA ILE A 80 64.549 -10.024 6.768 1.00 0.00 H new ATOM 0 HB ILE A 80 61.905 -10.996 5.631 1.00 0.00 H new ATOM 0 HG12 ILE A 80 63.555 -11.909 8.036 1.00 0.00 H new ATOM 0 HG13 ILE A 80 62.287 -10.704 8.144 1.00 0.00 H new ATOM 0 HG21 ILE A 80 62.953 -13.238 5.447 1.00 0.00 H new ATOM 0 HG22 ILE A 80 63.745 -12.072 4.360 1.00 0.00 H new ATOM 0 HG23 ILE A 80 64.529 -12.537 5.889 1.00 0.00 H new ATOM 0 HD11 ILE A 80 61.404 -12.956 8.695 1.00 0.00 H new ATOM 0 HD12 ILE A 80 60.641 -12.332 7.213 1.00 0.00 H new ATOM 0 HD13 ILE A 80 61.928 -13.556 7.103 1.00 0.00 H new ATOM 1224 N ALA A 81 63.515 -9.260 3.734 1.00 0.00 N ATOM 1225 CA ALA A 81 63.963 -9.071 2.359 1.00 0.00 C ATOM 1226 C ALA A 81 65.135 -8.095 2.307 1.00 0.00 C ATOM 1227 O ALA A 81 66.058 -8.261 1.510 1.00 0.00 O ATOM 1228 CB ALA A 81 62.813 -8.538 1.503 1.00 0.00 C ATOM 0 H ALA A 81 62.558 -8.956 3.915 1.00 0.00 H new ATOM 0 HA ALA A 81 64.290 -10.034 1.967 1.00 0.00 H new ATOM 0 HB1 ALA A 81 63.156 -8.400 0.478 1.00 0.00 H new ATOM 0 HB2 ALA A 81 61.989 -9.251 1.517 1.00 0.00 H new ATOM 0 HB3 ALA A 81 62.473 -7.583 1.904 1.00 0.00 H new ATOM 1234 N LEU A 82 65.090 -7.078 3.161 1.00 0.00 N ATOM 1235 CA LEU A 82 66.153 -6.082 3.203 1.00 0.00 C ATOM 1236 C LEU A 82 67.421 -6.677 3.807 1.00 0.00 C ATOM 1237 O LEU A 82 68.528 -6.411 3.339 1.00 0.00 O ATOM 1238 CB LEU A 82 65.709 -4.877 4.034 1.00 0.00 C ATOM 1239 CG LEU A 82 64.684 -4.061 3.244 1.00 0.00 C ATOM 1240 CD1 LEU A 82 63.945 -3.113 4.190 1.00 0.00 C ATOM 1241 CD2 LEU A 82 65.404 -3.245 2.167 1.00 0.00 C ATOM 0 H LEU A 82 64.335 -6.923 3.829 1.00 0.00 H new ATOM 0 HA LEU A 82 66.364 -5.762 2.183 1.00 0.00 H new ATOM 0 HB2 LEU A 82 65.275 -5.212 4.976 1.00 0.00 H new ATOM 0 HB3 LEU A 82 66.570 -4.256 4.283 1.00 0.00 H new ATOM 0 HG LEU A 82 63.968 -4.736 2.774 1.00 0.00 H new ATOM 0 HD11 LEU A 82 63.215 -2.532 3.626 1.00 0.00 H new ATOM 0 HD12 LEU A 82 63.433 -3.692 4.958 1.00 0.00 H new ATOM 0 HD13 LEU A 82 64.660 -2.438 4.661 1.00 0.00 H new ATOM 0 HD21 LEU A 82 64.675 -2.663 1.603 1.00 0.00 H new ATOM 0 HD22 LEU A 82 66.120 -2.571 2.638 1.00 0.00 H new ATOM 0 HD23 LEU A 82 65.931 -3.919 1.491 1.00 0.00 H new ATOM 1253 N PHE A 83 67.250 -7.485 4.848 1.00 0.00 N ATOM 1254 CA PHE A 83 68.387 -8.115 5.510 1.00 0.00 C ATOM 1255 C PHE A 83 69.001 -9.187 4.615 1.00 0.00 C ATOM 1256 O PHE A 83 70.203 -9.444 4.675 1.00 0.00 O ATOM 1257 CB PHE A 83 67.941 -8.744 6.830 1.00 0.00 C ATOM 1258 CG PHE A 83 67.519 -7.656 7.789 1.00 0.00 C ATOM 1259 CD1 PHE A 83 67.427 -6.331 7.347 1.00 0.00 C ATOM 1260 CD2 PHE A 83 67.222 -7.973 9.120 1.00 0.00 C ATOM 1261 CE1 PHE A 83 67.037 -5.322 8.237 1.00 0.00 C ATOM 1262 CE2 PHE A 83 66.832 -6.964 10.009 1.00 0.00 C ATOM 1263 CZ PHE A 83 66.740 -5.639 9.568 1.00 0.00 C ATOM 0 H PHE A 83 66.342 -7.718 5.249 1.00 0.00 H new ATOM 0 HA PHE A 83 69.137 -7.350 5.709 1.00 0.00 H new ATOM 0 HB2 PHE A 83 67.113 -9.431 6.656 1.00 0.00 H new ATOM 0 HB3 PHE A 83 68.755 -9.327 7.260 1.00 0.00 H new ATOM 0 HD1 PHE A 83 67.657 -6.087 6.320 1.00 0.00 H new ATOM 0 HD2 PHE A 83 67.294 -8.995 9.461 1.00 0.00 H new ATOM 0 HE1 PHE A 83 66.965 -4.300 7.896 1.00 0.00 H new ATOM 0 HE2 PHE A 83 66.602 -7.208 11.036 1.00 0.00 H new ATOM 0 HZ PHE A 83 66.440 -4.861 10.254 1.00 0.00 H new ATOM 1273 N ASN A 84 68.168 -9.809 3.787 1.00 0.00 N ATOM 1274 CA ASN A 84 68.641 -10.852 2.884 1.00 0.00 C ATOM 1275 C ASN A 84 69.138 -10.244 1.577 1.00 0.00 C ATOM 1276 O ASN A 84 69.637 -10.954 0.703 1.00 0.00 O ATOM 1277 CB ASN A 84 67.510 -11.841 2.591 1.00 0.00 C ATOM 1278 CG ASN A 84 68.039 -13.007 1.765 1.00 0.00 C ATOM 1279 OD1 ASN A 84 69.232 -13.310 1.808 1.00 0.00 O ATOM 1280 ND2 ASN A 84 67.219 -13.686 1.011 1.00 0.00 N ATOM 0 H ASN A 84 67.169 -9.611 3.722 1.00 0.00 H new ATOM 0 HA ASN A 84 69.467 -11.376 3.365 1.00 0.00 H new ATOM 0 HB2 ASN A 84 67.086 -12.209 3.525 1.00 0.00 H new ATOM 0 HB3 ASN A 84 66.706 -11.338 2.053 1.00 0.00 H new ATOM 0 HD21 ASN A 84 67.566 -14.469 0.456 1.00 0.00 H new ATOM 0 HD22 ASN A 84 66.231 -13.434 0.976 1.00 0.00 H new ATOM 1287 N SER A 85 69.001 -8.929 1.451 1.00 0.00 N ATOM 1288 CA SER A 85 69.440 -8.236 0.245 1.00 0.00 C ATOM 1289 C SER A 85 68.398 -8.369 -0.860 1.00 0.00 C ATOM 1290 O SER A 85 68.455 -7.593 -1.799 1.00 0.00 O ATOM 1291 CB SER A 85 70.770 -8.818 -0.235 1.00 0.00 C ATOM 1292 OG SER A 85 71.326 -9.628 0.793 1.00 0.00 O ATOM 1293 OXT SER A 85 67.555 -9.246 -0.751 1.00 0.00 O ATOM 0 H SER A 85 68.592 -8.324 2.164 1.00 0.00 H new ATOM 0 HA SER A 85 69.568 -7.180 0.482 1.00 0.00 H new ATOM 0 HB2 SER A 85 70.617 -9.410 -1.137 1.00 0.00 H new ATOM 0 HB3 SER A 85 71.460 -8.015 -0.494 1.00 0.00 H new ATOM 0 HG SER A 85 71.089 -10.566 0.635 1.00 0.00 H new TER 1299 SER A 85