USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 612 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 38 SER OG : rot 160:sc= 0 USER MOD Set 1.2: A 67 SER OG : rot -56:sc= 0.778 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -139:sc= 0.0104 (180deg=-0.327) USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 TYR OH : rot 180:sc= -0.225 USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 13 ASN : amide:sc= -0.127 X(o=-0.13,f=-0.042) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 45:sc= 0.398 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot -52:sc= 0.452 USER MOD Single : A 25 GLN : amide:sc= -0.0767 K(o=-0.077,f=-2.9!) USER MOD Single : A 31 ASN : amide:sc= -0.0408 X(o=-0.041,f=-0.29) USER MOD Single : A 33 ASN : amide:sc= -0.0183 K(o=-0.018,f=-0.84) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= -0.0224 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -154:sc= -0.0554 (180deg=-0.849) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.039 X(o=-0.039,f=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= -0.212 USER MOD Single : A 66 TYR OH : rot 130:sc= -0.127 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -42:sc= 1.18 USER MOD Single : A 77 ASN : amide:sc= -5.42! C(o=-5.4!,f=-12!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 83:sc= -0.403 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -5.4! C(o=-5.4!,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.003 -7.247 -11.606 1.00 14.01 N ATOM 2 CA MET A 1 -2.680 -6.817 -11.169 1.00 60.43 C ATOM 3 C MET A 1 -2.383 -5.400 -11.648 1.00 40.13 C ATOM 4 O MET A 1 -1.885 -5.201 -12.755 1.00 41.24 O ATOM 5 CB MET A 1 -1.610 -7.779 -11.691 1.00 34.04 C ATOM 6 CG MET A 1 -1.868 -9.231 -11.323 1.00 24.32 C ATOM 7 SD MET A 1 -0.385 -10.072 -10.736 1.00 23.34 S ATOM 8 CE MET A 1 0.576 -10.159 -12.245 1.00 54.11 C ATOM 0 H1 MET A 1 -4.472 -7.766 -10.836 1.00 14.01 H new ATOM 0 H2 MET A 1 -4.572 -6.414 -11.859 1.00 14.01 H new ATOM 0 H3 MET A 1 -3.910 -7.868 -12.435 1.00 14.01 H new ATOM 0 HA MET A 1 -2.665 -6.824 -10.079 1.00 60.43 H new ATOM 0 HB2 MET A 1 -1.553 -7.692 -12.776 1.00 34.04 H new ATOM 0 HB3 MET A 1 -0.639 -7.479 -11.296 1.00 34.04 H new ATOM 0 HG2 MET A 1 -2.636 -9.275 -10.551 1.00 24.32 H new ATOM 0 HG3 MET A 1 -2.260 -9.758 -12.193 1.00 24.32 H new ATOM 0 HE1 MET A 1 1.525 -10.655 -12.044 1.00 54.11 H new ATOM 0 HE2 MET A 1 0.024 -10.724 -12.996 1.00 54.11 H new ATOM 0 HE3 MET A 1 0.765 -9.151 -12.615 1.00 54.11 H new ATOM 18 N ASN A 2 -2.693 -4.419 -10.807 1.00 44.30 N ATOM 19 CA ASN A 2 -2.459 -3.019 -11.146 1.00 33.42 C ATOM 20 C ASN A 2 -2.034 -2.225 -9.915 1.00 22.35 C ATOM 21 O ASN A 2 -1.868 -2.783 -8.830 1.00 62.33 O ATOM 22 CB ASN A 2 -3.721 -2.403 -11.753 1.00 50.11 C ATOM 23 CG ASN A 2 -3.523 -1.985 -13.197 1.00 62.14 C ATOM 24 OD1 ASN A 2 -3.565 -2.814 -14.106 1.00 61.24 O ATOM 25 ND2 ASN A 2 -3.305 -0.693 -13.415 1.00 22.32 N ATOM 0 H ASN A 2 -3.107 -4.567 -9.886 1.00 44.30 H new ATOM 0 HA ASN A 2 -1.653 -2.978 -11.879 1.00 33.42 H new ATOM 0 HB2 ASN A 2 -4.538 -3.123 -11.695 1.00 50.11 H new ATOM 0 HB3 ASN A 2 -4.018 -1.535 -11.164 1.00 50.11 H new ATOM 0 HD21 ASN A 2 -3.164 -0.353 -14.366 1.00 22.32 H new ATOM 0 HD22 ASN A 2 -3.278 -0.041 -12.631 1.00 22.32 H new ATOM 32 N ALA A 3 -1.860 -0.920 -10.090 1.00 44.45 N ATOM 33 CA ALA A 3 -1.456 -0.048 -8.994 1.00 33.11 C ATOM 34 C ALA A 3 -2.223 1.269 -9.029 1.00 52.42 C ATOM 35 O ALA A 3 -1.637 2.344 -8.901 1.00 25.51 O ATOM 36 CB ALA A 3 0.042 0.210 -9.048 1.00 62.43 C ATOM 0 H ALA A 3 -1.993 -0.442 -10.981 1.00 44.45 H new ATOM 0 HA ALA A 3 -1.693 -0.552 -8.057 1.00 33.11 H new ATOM 0 HB1 ALA A 3 0.329 0.863 -8.223 1.00 62.43 H new ATOM 0 HB2 ALA A 3 0.577 -0.736 -8.965 1.00 62.43 H new ATOM 0 HB3 ALA A 3 0.295 0.688 -9.994 1.00 62.43 H new ATOM 42 N ALA A 4 -3.537 1.179 -9.205 1.00 15.24 N ATOM 43 CA ALA A 4 -4.385 2.364 -9.255 1.00 45.44 C ATOM 44 C ALA A 4 -5.822 2.029 -8.873 1.00 71.43 C ATOM 45 O ALA A 4 -6.197 0.859 -8.801 1.00 21.23 O ATOM 46 CB ALA A 4 -4.337 2.988 -10.642 1.00 61.05 C ATOM 0 H ALA A 4 -4.038 0.297 -9.315 1.00 15.24 H new ATOM 0 HA ALA A 4 -4.004 3.084 -8.531 1.00 45.44 H new ATOM 0 HB1 ALA A 4 -4.974 3.872 -10.666 1.00 61.05 H new ATOM 0 HB2 ALA A 4 -3.312 3.274 -10.877 1.00 61.05 H new ATOM 0 HB3 ALA A 4 -4.690 2.266 -11.378 1.00 61.05 H new ATOM 52 N GLU A 5 -6.622 3.062 -8.630 1.00 3.24 N ATOM 53 CA GLU A 5 -8.018 2.875 -8.253 1.00 60.13 C ATOM 54 C GLU A 5 -8.930 2.986 -9.472 1.00 64.20 C ATOM 55 O GLU A 5 -9.255 4.085 -9.920 1.00 44.41 O ATOM 56 CB GLU A 5 -8.428 3.906 -7.200 1.00 53.42 C ATOM 57 CG GLU A 5 -7.424 4.055 -6.070 1.00 22.11 C ATOM 58 CD GLU A 5 -7.927 4.953 -4.957 1.00 2.33 C ATOM 59 OE1 GLU A 5 -8.627 4.447 -4.056 1.00 34.23 O ATOM 60 OE2 GLU A 5 -7.619 6.163 -4.987 1.00 12.31 O ATOM 0 H GLU A 5 -6.327 4.037 -8.687 1.00 3.24 H new ATOM 0 HA GLU A 5 -8.123 1.875 -7.832 1.00 60.13 H new ATOM 0 HB2 GLU A 5 -8.563 4.873 -7.684 1.00 53.42 H new ATOM 0 HB3 GLU A 5 -9.393 3.621 -6.782 1.00 53.42 H new ATOM 0 HG2 GLU A 5 -7.194 3.071 -5.662 1.00 22.11 H new ATOM 0 HG3 GLU A 5 -6.494 4.461 -6.467 1.00 22.11 H new ATOM 67 N VAL A 6 -9.338 1.838 -10.004 1.00 53.44 N ATOM 68 CA VAL A 6 -10.213 1.805 -11.171 1.00 4.33 C ATOM 69 C VAL A 6 -11.595 1.275 -10.807 1.00 2.14 C ATOM 70 O VAL A 6 -11.723 0.337 -10.019 1.00 11.30 O ATOM 71 CB VAL A 6 -9.619 0.933 -12.292 1.00 70.55 C ATOM 72 CG1 VAL A 6 -10.656 0.678 -13.376 1.00 65.02 C ATOM 73 CG2 VAL A 6 -8.376 1.588 -12.875 1.00 60.44 C ATOM 0 H VAL A 6 -9.077 0.919 -9.646 1.00 53.44 H new ATOM 0 HA VAL A 6 -10.304 2.831 -11.528 1.00 4.33 H new ATOM 0 HB VAL A 6 -9.329 -0.028 -11.866 1.00 70.55 H new ATOM 0 HG11 VAL A 6 -10.218 0.060 -14.160 1.00 65.02 H new ATOM 0 HG12 VAL A 6 -11.514 0.163 -12.945 1.00 65.02 H new ATOM 0 HG13 VAL A 6 -10.979 1.628 -13.801 1.00 65.02 H new ATOM 0 HG21 VAL A 6 -7.970 0.958 -13.666 1.00 60.44 H new ATOM 0 HG22 VAL A 6 -8.637 2.563 -13.286 1.00 60.44 H new ATOM 0 HG23 VAL A 6 -7.629 1.713 -12.091 1.00 60.44 H new ATOM 83 N ILE A 7 -12.626 1.881 -11.385 1.00 71.13 N ATOM 84 CA ILE A 7 -13.999 1.468 -11.123 1.00 12.42 C ATOM 85 C ILE A 7 -14.905 1.787 -12.308 1.00 21.24 C ATOM 86 O ILE A 7 -15.110 2.951 -12.650 1.00 54.25 O ATOM 87 CB ILE A 7 -14.561 2.153 -9.863 1.00 35.52 C ATOM 88 CG1 ILE A 7 -16.042 1.810 -9.687 1.00 73.44 C ATOM 89 CG2 ILE A 7 -14.368 3.659 -9.947 1.00 5.21 C ATOM 90 CD1 ILE A 7 -16.503 1.841 -8.247 1.00 72.50 C ATOM 0 H ILE A 7 -12.537 2.660 -12.038 1.00 71.13 H new ATOM 0 HA ILE A 7 -13.980 0.390 -10.964 1.00 12.42 H new ATOM 0 HB ILE A 7 -14.016 1.785 -8.994 1.00 35.52 H new ATOM 0 HG12 ILE A 7 -16.641 2.513 -10.267 1.00 73.44 H new ATOM 0 HG13 ILE A 7 -16.228 0.818 -10.098 1.00 73.44 H new ATOM 0 HG21 ILE A 7 -14.770 4.128 -9.049 1.00 5.21 H new ATOM 0 HG22 ILE A 7 -13.305 3.886 -10.029 1.00 5.21 H new ATOM 0 HG23 ILE A 7 -14.890 4.044 -10.823 1.00 5.21 H new ATOM 0 HD11 ILE A 7 -17.562 1.588 -8.199 1.00 72.50 H new ATOM 0 HD12 ILE A 7 -15.930 1.118 -7.666 1.00 72.50 H new ATOM 0 HD13 ILE A 7 -16.349 2.839 -7.837 1.00 72.50 H new ATOM 102 N VAL A 8 -15.446 0.744 -12.929 1.00 70.20 N ATOM 103 CA VAL A 8 -16.333 0.912 -14.074 1.00 61.31 C ATOM 104 C VAL A 8 -17.599 0.078 -13.915 1.00 71.34 C ATOM 105 O VAL A 8 -17.634 -0.875 -13.137 1.00 22.42 O ATOM 106 CB VAL A 8 -15.633 0.518 -15.388 1.00 71.24 C ATOM 107 CG1 VAL A 8 -14.295 1.229 -15.515 1.00 4.10 C ATOM 108 CG2 VAL A 8 -15.454 -0.991 -15.465 1.00 2.14 C ATOM 0 H VAL A 8 -15.286 -0.226 -12.659 1.00 70.20 H new ATOM 0 HA VAL A 8 -16.600 1.968 -14.116 1.00 61.31 H new ATOM 0 HB VAL A 8 -16.263 0.829 -16.222 1.00 71.24 H new ATOM 0 HG11 VAL A 8 -13.816 0.938 -16.450 1.00 4.10 H new ATOM 0 HG12 VAL A 8 -14.454 2.307 -15.509 1.00 4.10 H new ATOM 0 HG13 VAL A 8 -13.655 0.952 -14.677 1.00 4.10 H new ATOM 0 HG21 VAL A 8 -14.958 -1.251 -16.400 1.00 2.14 H new ATOM 0 HG22 VAL A 8 -14.846 -1.329 -14.625 1.00 2.14 H new ATOM 0 HG23 VAL A 8 -16.430 -1.476 -15.425 1.00 2.14 H new ATOM 118 N TYR A 9 -18.638 0.442 -14.659 1.00 2.32 N ATOM 119 CA TYR A 9 -19.908 -0.271 -14.600 1.00 30.13 C ATOM 120 C TYR A 9 -20.242 -0.901 -15.948 1.00 74.04 C ATOM 121 O TYR A 9 -19.988 -0.314 -16.999 1.00 53.24 O ATOM 122 CB TYR A 9 -21.030 0.677 -14.175 1.00 14.31 C ATOM 123 CG TYR A 9 -21.066 0.945 -12.687 1.00 52.23 C ATOM 124 CD1 TYR A 9 -19.956 1.457 -12.027 1.00 1.20 C ATOM 125 CD2 TYR A 9 -22.210 0.686 -11.942 1.00 25.42 C ATOM 126 CE1 TYR A 9 -19.984 1.703 -10.668 1.00 23.02 C ATOM 127 CE2 TYR A 9 -22.247 0.930 -10.583 1.00 23.43 C ATOM 128 CZ TYR A 9 -21.131 1.438 -9.950 1.00 54.12 C ATOM 129 OH TYR A 9 -21.164 1.681 -8.596 1.00 51.22 O ATOM 0 H TYR A 9 -18.625 1.227 -15.310 1.00 2.32 H new ATOM 0 HA TYR A 9 -19.815 -1.067 -13.861 1.00 30.13 H new ATOM 0 HB2 TYR A 9 -20.914 1.623 -14.703 1.00 14.31 H new ATOM 0 HB3 TYR A 9 -21.987 0.255 -14.483 1.00 14.31 H new ATOM 0 HD1 TYR A 9 -19.056 1.666 -12.586 1.00 1.20 H new ATOM 0 HD2 TYR A 9 -23.085 0.287 -12.434 1.00 25.42 H new ATOM 0 HE1 TYR A 9 -19.112 2.101 -10.170 1.00 23.02 H new ATOM 0 HE2 TYR A 9 -23.145 0.724 -10.019 1.00 23.43 H new ATOM 0 HH TYR A 9 -22.046 1.441 -8.242 1.00 51.22 H new ATOM 139 N GLU A 10 -20.815 -2.100 -15.908 1.00 64.35 N ATOM 140 CA GLU A 10 -21.184 -2.811 -17.127 1.00 50.42 C ATOM 141 C GLU A 10 -22.636 -2.527 -17.503 1.00 64.43 C ATOM 142 O GLU A 10 -23.302 -3.359 -18.121 1.00 13.53 O ATOM 143 CB GLU A 10 -20.976 -4.316 -16.949 1.00 72.15 C ATOM 144 CG GLU A 10 -19.648 -4.675 -16.305 1.00 30.22 C ATOM 145 CD GLU A 10 -18.460 -4.135 -17.077 1.00 21.31 C ATOM 146 OE1 GLU A 10 -18.424 -4.316 -18.312 1.00 71.22 O ATOM 147 OE2 GLU A 10 -17.566 -3.533 -16.447 1.00 13.54 O ATOM 0 H GLU A 10 -21.034 -2.599 -15.046 1.00 64.35 H new ATOM 0 HA GLU A 10 -20.542 -2.456 -17.933 1.00 50.42 H new ATOM 0 HB2 GLU A 10 -21.786 -4.716 -16.339 1.00 72.15 H new ATOM 0 HB3 GLU A 10 -21.041 -4.801 -17.923 1.00 72.15 H new ATOM 0 HG2 GLU A 10 -19.624 -4.283 -15.288 1.00 30.22 H new ATOM 0 HG3 GLU A 10 -19.566 -5.759 -16.231 1.00 30.22 H new ATOM 154 N HIS A 11 -23.119 -1.348 -17.126 1.00 32.11 N ATOM 155 CA HIS A 11 -24.492 -0.954 -17.423 1.00 62.21 C ATOM 156 C HIS A 11 -24.733 0.503 -17.042 1.00 14.31 C ATOM 157 O HIS A 11 -23.819 1.200 -16.602 1.00 11.35 O ATOM 158 CB HIS A 11 -25.476 -1.858 -16.680 1.00 53.31 C ATOM 159 CG HIS A 11 -26.546 -2.429 -17.559 1.00 51.43 C ATOM 160 ND1 HIS A 11 -27.839 -1.950 -17.579 1.00 50.31 N ATOM 161 CD2 HIS A 11 -26.509 -3.443 -18.454 1.00 64.51 C ATOM 162 CE1 HIS A 11 -28.551 -2.646 -18.447 1.00 20.52 C ATOM 163 NE2 HIS A 11 -27.767 -3.559 -18.992 1.00 2.02 N ATOM 0 H HIS A 11 -22.581 -0.649 -16.614 1.00 32.11 H new ATOM 0 HA HIS A 11 -24.651 -1.061 -18.496 1.00 62.21 H new ATOM 0 HB2 HIS A 11 -24.925 -2.675 -16.214 1.00 53.31 H new ATOM 0 HB3 HIS A 11 -25.943 -1.289 -15.876 1.00 53.31 H new ATOM 0 HD2 HIS A 11 -25.649 -4.049 -18.700 1.00 64.51 H new ATOM 0 HE1 HIS A 11 -29.596 -2.494 -18.673 1.00 20.52 H new ATOM 0 HE2 HIS A 11 -28.050 -4.239 -19.697 1.00 2.02 H new ATOM 171 N VAL A 12 -25.970 0.958 -17.215 1.00 15.01 N ATOM 172 CA VAL A 12 -26.332 2.332 -16.889 1.00 14.22 C ATOM 173 C VAL A 12 -26.141 2.613 -15.403 1.00 34.15 C ATOM 174 O VAL A 12 -25.943 1.695 -14.608 1.00 10.22 O ATOM 175 CB VAL A 12 -27.793 2.634 -17.274 1.00 1.45 C ATOM 176 CG1 VAL A 12 -28.741 2.171 -16.178 1.00 3.44 C ATOM 177 CG2 VAL A 12 -27.973 4.119 -17.554 1.00 74.40 C ATOM 0 H VAL A 12 -26.738 0.395 -17.579 1.00 15.01 H new ATOM 0 HA VAL A 12 -25.671 2.979 -17.466 1.00 14.22 H new ATOM 0 HB VAL A 12 -28.032 2.084 -18.184 1.00 1.45 H new ATOM 0 HG11 VAL A 12 -29.768 2.393 -16.468 1.00 3.44 H new ATOM 0 HG12 VAL A 12 -28.629 1.097 -16.030 1.00 3.44 H new ATOM 0 HG13 VAL A 12 -28.506 2.691 -15.250 1.00 3.44 H new ATOM 0 HG21 VAL A 12 -29.011 4.315 -17.824 1.00 74.40 H new ATOM 0 HG22 VAL A 12 -27.716 4.691 -16.663 1.00 74.40 H new ATOM 0 HG23 VAL A 12 -27.321 4.416 -18.376 1.00 74.40 H new ATOM 187 N ASN A 13 -26.203 3.888 -15.034 1.00 53.41 N ATOM 188 CA ASN A 13 -26.037 4.291 -13.642 1.00 71.12 C ATOM 189 C ASN A 13 -27.355 4.176 -12.882 1.00 24.24 C ATOM 190 O ASN A 13 -27.679 5.022 -12.048 1.00 43.12 O ATOM 191 CB ASN A 13 -25.514 5.726 -13.564 1.00 4.43 C ATOM 192 CG ASN A 13 -24.848 6.027 -12.234 1.00 54.35 C ATOM 193 OD1 ASN A 13 -25.261 6.935 -11.513 1.00 10.33 O ATOM 194 ND2 ASN A 13 -23.813 5.264 -11.905 1.00 44.33 N ATOM 0 H ASN A 13 -26.367 4.660 -15.680 1.00 53.41 H new ATOM 0 HA ASN A 13 -25.312 3.622 -13.180 1.00 71.12 H new ATOM 0 HB2 ASN A 13 -24.801 5.894 -14.371 1.00 4.43 H new ATOM 0 HB3 ASN A 13 -26.340 6.420 -13.719 1.00 4.43 H new ATOM 0 HD21 ASN A 13 -23.325 5.419 -11.023 1.00 44.33 H new ATOM 0 HD22 ASN A 13 -23.506 4.522 -12.534 1.00 44.33 H new ATOM 201 N PHE A 14 -28.110 3.123 -13.174 1.00 73.41 N ATOM 202 CA PHE A 14 -29.393 2.896 -12.518 1.00 50.24 C ATOM 203 C PHE A 14 -29.718 1.406 -12.458 1.00 4.50 C ATOM 204 O PHE A 14 -30.880 1.017 -12.355 1.00 21.24 O ATOM 205 CB PHE A 14 -30.506 3.643 -13.257 1.00 30.41 C ATOM 206 CG PHE A 14 -30.194 5.090 -13.506 1.00 42.52 C ATOM 207 CD1 PHE A 14 -30.311 6.023 -12.488 1.00 42.23 C ATOM 208 CD2 PHE A 14 -29.783 5.519 -14.758 1.00 62.31 C ATOM 209 CE1 PHE A 14 -30.025 7.356 -12.715 1.00 42.23 C ATOM 210 CE2 PHE A 14 -29.495 6.850 -14.991 1.00 40.40 C ATOM 211 CZ PHE A 14 -29.615 7.770 -13.968 1.00 12.12 C ATOM 0 H PHE A 14 -27.856 2.413 -13.861 1.00 73.41 H new ATOM 0 HA PHE A 14 -29.324 3.276 -11.499 1.00 50.24 H new ATOM 0 HB2 PHE A 14 -30.692 3.150 -14.211 1.00 30.41 H new ATOM 0 HB3 PHE A 14 -31.427 3.573 -12.678 1.00 30.41 H new ATOM 0 HD1 PHE A 14 -30.629 5.705 -11.506 1.00 42.23 H new ATOM 0 HD2 PHE A 14 -29.687 4.804 -15.562 1.00 62.31 H new ATOM 0 HE1 PHE A 14 -30.122 8.074 -11.914 1.00 42.23 H new ATOM 0 HE2 PHE A 14 -29.176 7.171 -15.972 1.00 40.40 H new ATOM 0 HZ PHE A 14 -29.389 8.811 -14.147 1.00 12.12 H new ATOM 221 N GLY A 15 -28.680 0.578 -12.524 1.00 20.51 N ATOM 222 CA GLY A 15 -28.875 -0.860 -12.476 1.00 44.21 C ATOM 223 C GLY A 15 -27.705 -1.623 -13.066 1.00 32.15 C ATOM 224 O GLY A 15 -27.799 -2.162 -14.168 1.00 4.24 O ATOM 0 H GLY A 15 -27.708 0.877 -12.610 1.00 20.51 H new ATOM 0 HA2 GLY A 15 -29.022 -1.169 -11.441 1.00 44.21 H new ATOM 0 HA3 GLY A 15 -29.784 -1.119 -13.018 1.00 44.21 H new ATOM 228 N GLY A 16 -26.599 -1.668 -12.330 1.00 25.53 N ATOM 229 CA GLY A 16 -25.421 -2.372 -12.803 1.00 71.15 C ATOM 230 C GLY A 16 -24.461 -2.716 -11.682 1.00 42.02 C ATOM 231 O GLY A 16 -24.583 -2.203 -10.570 1.00 15.42 O ATOM 0 H GLY A 16 -26.497 -1.230 -11.415 1.00 25.53 H new ATOM 0 HA2 GLY A 16 -25.728 -3.288 -13.308 1.00 71.15 H new ATOM 0 HA3 GLY A 16 -24.907 -1.757 -13.542 1.00 71.15 H new ATOM 235 N LYS A 17 -23.502 -3.589 -11.973 1.00 52.21 N ATOM 236 CA LYS A 17 -22.516 -4.002 -10.981 1.00 75.24 C ATOM 237 C LYS A 17 -21.302 -3.079 -11.003 1.00 74.15 C ATOM 238 O LYS A 17 -20.908 -2.581 -12.058 1.00 74.20 O ATOM 239 CB LYS A 17 -22.078 -5.446 -11.239 1.00 42.52 C ATOM 240 CG LYS A 17 -21.084 -5.585 -12.379 1.00 4.20 C ATOM 241 CD LYS A 17 -19.673 -5.818 -11.864 1.00 13.25 C ATOM 242 CE LYS A 17 -19.548 -7.167 -11.173 1.00 33.13 C ATOM 243 NZ LYS A 17 -18.936 -7.044 -9.821 1.00 12.52 N ATOM 0 H LYS A 17 -23.387 -4.024 -12.888 1.00 52.21 H new ATOM 0 HA LYS A 17 -22.979 -3.939 -9.996 1.00 75.24 H new ATOM 0 HB2 LYS A 17 -21.634 -5.850 -10.329 1.00 42.52 H new ATOM 0 HB3 LYS A 17 -22.958 -6.050 -11.460 1.00 42.52 H new ATOM 0 HG2 LYS A 17 -21.379 -6.415 -13.021 1.00 4.20 H new ATOM 0 HG3 LYS A 17 -21.104 -4.684 -12.992 1.00 4.20 H new ATOM 0 HD2 LYS A 17 -18.968 -5.766 -12.694 1.00 13.25 H new ATOM 0 HD3 LYS A 17 -19.403 -5.025 -11.167 1.00 13.25 H new ATOM 0 HE2 LYS A 17 -20.534 -7.622 -11.085 1.00 33.13 H new ATOM 0 HE3 LYS A 17 -18.942 -7.834 -11.786 1.00 33.13 H new ATOM 0 HZ1 LYS A 17 -18.868 -7.985 -9.384 1.00 12.52 H new ATOM 0 HZ2 LYS A 17 -17.985 -6.633 -9.907 1.00 12.52 H new ATOM 0 HZ3 LYS A 17 -19.527 -6.428 -9.227 1.00 12.52 H new ATOM 257 N SER A 18 -20.713 -2.856 -9.833 1.00 63.33 N ATOM 258 CA SER A 18 -19.544 -1.991 -9.718 1.00 75.24 C ATOM 259 C SER A 18 -18.257 -2.791 -9.894 1.00 40.30 C ATOM 260 O SER A 18 -17.830 -3.509 -8.990 1.00 13.14 O ATOM 261 CB SER A 18 -19.538 -1.285 -8.361 1.00 53.55 C ATOM 262 OG SER A 18 -19.675 -2.215 -7.301 1.00 43.13 O ATOM 0 H SER A 18 -21.026 -3.262 -8.951 1.00 63.33 H new ATOM 0 HA SER A 18 -19.597 -1.243 -10.509 1.00 75.24 H new ATOM 0 HB2 SER A 18 -18.609 -0.728 -8.242 1.00 53.55 H new ATOM 0 HB3 SER A 18 -20.352 -0.561 -8.321 1.00 53.55 H new ATOM 0 HG SER A 18 -19.084 -2.981 -7.459 1.00 43.13 H new ATOM 268 N PHE A 19 -17.642 -2.661 -11.065 1.00 53.40 N ATOM 269 CA PHE A 19 -16.404 -3.371 -11.361 1.00 62.14 C ATOM 270 C PHE A 19 -15.190 -2.541 -10.955 1.00 1.13 C ATOM 271 O PHE A 19 -14.772 -1.636 -11.678 1.00 34.40 O ATOM 272 CB PHE A 19 -16.329 -3.709 -12.852 1.00 2.41 C ATOM 273 CG PHE A 19 -15.774 -5.077 -13.130 1.00 13.44 C ATOM 274 CD1 PHE A 19 -14.485 -5.407 -12.746 1.00 23.03 C ATOM 275 CD2 PHE A 19 -16.543 -6.032 -13.775 1.00 62.01 C ATOM 276 CE1 PHE A 19 -13.972 -6.665 -12.999 1.00 64.23 C ATOM 277 CE2 PHE A 19 -16.035 -7.292 -14.031 1.00 52.20 C ATOM 278 CZ PHE A 19 -14.748 -7.608 -13.644 1.00 23.42 C ATOM 0 H PHE A 19 -17.981 -2.070 -11.824 1.00 53.40 H new ATOM 0 HA PHE A 19 -16.399 -4.296 -10.785 1.00 62.14 H new ATOM 0 HB2 PHE A 19 -17.327 -3.636 -13.283 1.00 2.41 H new ATOM 0 HB3 PHE A 19 -15.710 -2.966 -13.354 1.00 2.41 H new ATOM 0 HD1 PHE A 19 -13.874 -4.673 -12.243 1.00 23.03 H new ATOM 0 HD2 PHE A 19 -17.550 -5.790 -14.081 1.00 62.01 H new ATOM 0 HE1 PHE A 19 -12.966 -6.910 -12.693 1.00 64.23 H new ATOM 0 HE2 PHE A 19 -16.644 -8.029 -14.533 1.00 52.20 H new ATOM 0 HZ PHE A 19 -14.349 -8.591 -13.845 1.00 23.42 H new ATOM 288 N ASP A 20 -14.629 -2.855 -9.792 1.00 43.13 N ATOM 289 CA ASP A 20 -13.462 -2.139 -9.288 1.00 74.22 C ATOM 290 C ASP A 20 -12.180 -2.905 -9.597 1.00 4.10 C ATOM 291 O ASP A 20 -11.947 -3.987 -9.060 1.00 23.40 O ATOM 292 CB ASP A 20 -13.587 -1.916 -7.780 1.00 51.53 C ATOM 293 CG ASP A 20 -13.953 -3.184 -7.035 1.00 54.02 C ATOM 294 OD1 ASP A 20 -15.130 -3.596 -7.108 1.00 42.15 O ATOM 295 OD2 ASP A 20 -13.064 -3.764 -6.378 1.00 22.40 O ATOM 0 H ASP A 20 -14.963 -3.600 -9.181 1.00 43.13 H new ATOM 0 HA ASP A 20 -13.415 -1.172 -9.788 1.00 74.22 H new ATOM 0 HB2 ASP A 20 -12.644 -1.531 -7.393 1.00 51.53 H new ATOM 0 HB3 ASP A 20 -14.344 -1.155 -7.590 1.00 51.53 H new ATOM 300 N ALA A 21 -11.351 -2.335 -10.466 1.00 73.54 N ATOM 301 CA ALA A 21 -10.092 -2.964 -10.846 1.00 11.20 C ATOM 302 C ALA A 21 -8.975 -2.582 -9.881 1.00 11.13 C ATOM 303 O ALA A 21 -8.339 -1.538 -10.032 1.00 23.41 O ATOM 304 CB ALA A 21 -9.717 -2.577 -12.269 1.00 74.52 C ATOM 0 H ALA A 21 -11.529 -1.439 -10.920 1.00 73.54 H new ATOM 0 HA ALA A 21 -10.225 -4.045 -10.798 1.00 11.20 H new ATOM 0 HB1 ALA A 21 -8.775 -3.054 -12.539 1.00 74.52 H new ATOM 0 HB2 ALA A 21 -10.499 -2.905 -12.953 1.00 74.52 H new ATOM 0 HB3 ALA A 21 -9.608 -1.494 -12.335 1.00 74.52 H new ATOM 310 N THR A 22 -8.741 -3.433 -8.887 1.00 33.24 N ATOM 311 CA THR A 22 -7.703 -3.184 -7.895 1.00 45.03 C ATOM 312 C THR A 22 -6.654 -4.290 -7.908 1.00 44.01 C ATOM 313 O THR A 22 -6.648 -5.143 -8.795 1.00 71.14 O ATOM 314 CB THR A 22 -8.294 -3.070 -6.478 1.00 14.22 C ATOM 315 OG1 THR A 22 -9.724 -3.033 -6.545 1.00 73.54 O ATOM 316 CG2 THR A 22 -7.783 -1.820 -5.777 1.00 21.43 C ATOM 0 H THR A 22 -9.257 -4.302 -8.748 1.00 33.24 H new ATOM 0 HA THR A 22 -7.233 -2.237 -8.161 1.00 45.03 H new ATOM 0 HB THR A 22 -7.979 -3.943 -5.906 1.00 14.22 H new ATOM 0 HG1 THR A 22 -10.092 -2.962 -5.640 1.00 73.54 H new ATOM 0 HG21 THR A 22 -8.214 -1.761 -4.778 1.00 21.43 H new ATOM 0 HG22 THR A 22 -6.697 -1.864 -5.701 1.00 21.43 H new ATOM 0 HG23 THR A 22 -8.072 -0.938 -6.349 1.00 21.43 H new ATOM 324 N SER A 23 -5.767 -4.270 -6.918 1.00 10.01 N ATOM 325 CA SER A 23 -4.711 -5.270 -6.817 1.00 63.24 C ATOM 326 C SER A 23 -5.272 -6.608 -6.344 1.00 52.44 C ATOM 327 O SER A 23 -5.057 -7.015 -5.203 1.00 10.13 O ATOM 328 CB SER A 23 -3.619 -4.795 -5.857 1.00 44.54 C ATOM 329 OG SER A 23 -3.006 -3.607 -6.330 1.00 30.22 O ATOM 0 H SER A 23 -5.759 -3.572 -6.174 1.00 10.01 H new ATOM 0 HA SER A 23 -4.279 -5.407 -7.808 1.00 63.24 H new ATOM 0 HB2 SER A 23 -4.049 -4.619 -4.871 1.00 44.54 H new ATOM 0 HB3 SER A 23 -2.867 -5.575 -5.742 1.00 44.54 H new ATOM 0 HG SER A 23 -2.714 -3.736 -7.256 1.00 30.22 H new ATOM 335 N ASP A 24 -5.993 -7.286 -7.231 1.00 2.05 N ATOM 336 CA ASP A 24 -6.585 -8.578 -6.906 1.00 32.33 C ATOM 337 C ASP A 24 -7.342 -9.145 -8.103 1.00 21.53 C ATOM 338 O ASP A 24 -7.363 -10.357 -8.318 1.00 21.03 O ATOM 339 CB ASP A 24 -7.527 -8.445 -5.708 1.00 21.01 C ATOM 340 CG ASP A 24 -8.418 -9.659 -5.534 1.00 72.12 C ATOM 341 OD1 ASP A 24 -7.899 -10.724 -5.139 1.00 13.32 O ATOM 342 OD2 ASP A 24 -9.634 -9.545 -5.795 1.00 14.24 O ATOM 0 H ASP A 24 -6.181 -6.962 -8.180 1.00 2.05 H new ATOM 0 HA ASP A 24 -5.779 -9.265 -6.650 1.00 32.33 H new ATOM 0 HB2 ASP A 24 -6.939 -8.297 -4.802 1.00 21.01 H new ATOM 0 HB3 ASP A 24 -8.147 -7.558 -5.834 1.00 21.01 H new ATOM 347 N GLN A 25 -7.962 -8.261 -8.877 1.00 74.32 N ATOM 348 CA GLN A 25 -8.722 -8.675 -10.051 1.00 43.12 C ATOM 349 C GLN A 25 -7.795 -8.946 -11.231 1.00 64.43 C ATOM 350 O GLN A 25 -6.636 -8.531 -11.250 1.00 24.41 O ATOM 351 CB GLN A 25 -9.744 -7.601 -10.427 1.00 75.44 C ATOM 352 CG GLN A 25 -11.099 -7.793 -9.766 1.00 34.55 C ATOM 353 CD GLN A 25 -11.241 -6.997 -8.484 1.00 1.34 C ATOM 354 OE1 GLN A 25 -10.265 -6.451 -7.967 1.00 72.50 O ATOM 355 NE2 GLN A 25 -12.460 -6.925 -7.963 1.00 12.44 N ATOM 0 H GLN A 25 -7.953 -7.254 -8.713 1.00 74.32 H new ATOM 0 HA GLN A 25 -9.248 -9.598 -9.806 1.00 43.12 H new ATOM 0 HB2 GLN A 25 -9.349 -6.623 -10.151 1.00 75.44 H new ATOM 0 HB3 GLN A 25 -9.874 -7.598 -11.509 1.00 75.44 H new ATOM 0 HG2 GLN A 25 -11.884 -7.497 -10.462 1.00 34.55 H new ATOM 0 HG3 GLN A 25 -11.247 -8.851 -9.550 1.00 34.55 H new ATOM 0 HE21 GLN A 25 -13.240 -7.393 -8.424 1.00 12.44 H new ATOM 0 HE22 GLN A 25 -12.616 -6.402 -7.101 1.00 12.44 H new ATOM 364 N PRO A 26 -8.314 -9.660 -12.241 1.00 34.42 N ATOM 365 CA PRO A 26 -7.550 -10.003 -13.444 1.00 30.33 C ATOM 366 C PRO A 26 -7.420 -8.825 -14.404 1.00 34.54 C ATOM 367 O PRO A 26 -6.789 -8.935 -15.454 1.00 1.53 O ATOM 368 CB PRO A 26 -8.375 -11.124 -14.081 1.00 32.11 C ATOM 369 CG PRO A 26 -9.768 -10.883 -13.610 1.00 71.35 C ATOM 370 CD PRO A 26 -9.689 -10.187 -12.286 1.00 23.30 C ATOM 0 HA PRO A 26 -6.526 -10.291 -13.208 1.00 30.33 H new ATOM 0 HB2 PRO A 26 -8.314 -11.092 -15.169 1.00 32.11 H new ATOM 0 HB3 PRO A 26 -8.016 -12.105 -13.770 1.00 32.11 H new ATOM 0 HG2 PRO A 26 -10.315 -10.274 -14.330 1.00 71.35 H new ATOM 0 HG3 PRO A 26 -10.308 -11.825 -13.515 1.00 71.35 H new ATOM 0 HD2 PRO A 26 -10.426 -9.387 -12.211 1.00 23.30 H new ATOM 0 HD3 PRO A 26 -9.880 -10.874 -11.462 1.00 23.30 H new ATOM 378 N GLY A 27 -8.023 -7.699 -14.035 1.00 42.35 N ATOM 379 CA GLY A 27 -7.962 -6.517 -14.875 1.00 52.41 C ATOM 380 C GLY A 27 -9.009 -6.530 -15.972 1.00 24.03 C ATOM 381 O GLY A 27 -10.193 -6.320 -15.711 1.00 42.13 O ATOM 0 H GLY A 27 -8.552 -7.584 -13.170 1.00 42.35 H new ATOM 0 HA2 GLY A 27 -8.098 -5.629 -14.258 1.00 52.41 H new ATOM 0 HA3 GLY A 27 -6.971 -6.445 -15.324 1.00 52.41 H new ATOM 385 N ALA A 28 -8.571 -6.776 -17.202 1.00 60.22 N ATOM 386 CA ALA A 28 -9.479 -6.816 -18.342 1.00 64.40 C ATOM 387 C ALA A 28 -10.128 -8.189 -18.478 1.00 73.23 C ATOM 388 O ALA A 28 -9.533 -9.117 -19.025 1.00 11.04 O ATOM 389 CB ALA A 28 -8.737 -6.452 -19.620 1.00 15.22 C ATOM 0 H ALA A 28 -7.593 -6.951 -17.435 1.00 60.22 H new ATOM 0 HA ALA A 28 -10.269 -6.085 -18.172 1.00 64.40 H new ATOM 0 HB1 ALA A 28 -9.427 -6.486 -20.463 1.00 15.22 H new ATOM 0 HB2 ALA A 28 -8.325 -5.447 -19.528 1.00 15.22 H new ATOM 0 HB3 ALA A 28 -7.927 -7.162 -19.785 1.00 15.22 H new ATOM 395 N GLY A 29 -11.354 -8.312 -17.977 1.00 2.50 N ATOM 396 CA GLY A 29 -12.063 -9.575 -18.052 1.00 74.23 C ATOM 397 C GLY A 29 -13.063 -9.612 -19.191 1.00 51.32 C ATOM 398 O GLY A 29 -13.407 -8.574 -19.758 1.00 31.14 O ATOM 0 H GLY A 29 -11.868 -7.559 -17.521 1.00 2.50 H new ATOM 0 HA2 GLY A 29 -11.344 -10.385 -18.177 1.00 74.23 H new ATOM 0 HA3 GLY A 29 -12.583 -9.753 -17.110 1.00 74.23 H new ATOM 402 N ASP A 30 -13.529 -10.809 -19.529 1.00 13.13 N ATOM 403 CA ASP A 30 -14.495 -10.977 -20.608 1.00 52.23 C ATOM 404 C ASP A 30 -15.916 -10.730 -20.110 1.00 23.33 C ATOM 405 O ASP A 30 -16.501 -11.573 -19.431 1.00 62.33 O ATOM 406 CB ASP A 30 -14.387 -12.381 -21.204 1.00 71.23 C ATOM 407 CG ASP A 30 -13.144 -12.555 -22.055 1.00 32.13 C ATOM 408 OD1 ASP A 30 -12.995 -11.811 -23.047 1.00 22.12 O ATOM 409 OD2 ASP A 30 -12.320 -13.435 -21.728 1.00 14.42 O ATOM 0 H ASP A 30 -13.253 -11.678 -19.071 1.00 13.13 H new ATOM 0 HA ASP A 30 -14.268 -10.244 -21.382 1.00 52.23 H new ATOM 0 HB2 ASP A 30 -14.378 -13.115 -20.398 1.00 71.23 H new ATOM 0 HB3 ASP A 30 -15.270 -12.584 -21.810 1.00 71.23 H new ATOM 414 N ASN A 31 -16.464 -9.568 -20.450 1.00 63.34 N ATOM 415 CA ASN A 31 -17.815 -9.210 -20.036 1.00 12.11 C ATOM 416 C ASN A 31 -18.474 -8.293 -21.062 1.00 42.11 C ATOM 417 O ASN A 31 -17.795 -7.659 -21.871 1.00 63.20 O ATOM 418 CB ASN A 31 -17.787 -8.526 -18.668 1.00 2.52 C ATOM 419 CG ASN A 31 -18.356 -9.404 -17.570 1.00 51.41 C ATOM 420 OD1 ASN A 31 -19.408 -10.021 -17.737 1.00 21.32 O ATOM 421 ND2 ASN A 31 -17.662 -9.462 -16.440 1.00 25.42 N ATOM 0 H ASN A 31 -15.993 -8.858 -21.011 1.00 63.34 H new ATOM 0 HA ASN A 31 -18.401 -10.126 -19.965 1.00 12.11 H new ATOM 0 HB2 ASN A 31 -16.760 -8.258 -18.420 1.00 2.52 H new ATOM 0 HB3 ASN A 31 -18.355 -7.597 -18.718 1.00 2.52 H new ATOM 0 HD21 ASN A 31 -17.996 -10.035 -15.665 1.00 25.42 H new ATOM 0 HD22 ASN A 31 -16.795 -8.933 -16.346 1.00 25.42 H new ATOM 428 N LEU A 32 -19.800 -8.227 -21.023 1.00 10.31 N ATOM 429 CA LEU A 32 -20.552 -7.387 -21.949 1.00 3.52 C ATOM 430 C LEU A 32 -20.280 -5.909 -21.686 1.00 52.33 C ATOM 431 O LEU A 32 -20.074 -5.499 -20.545 1.00 5.20 O ATOM 432 CB LEU A 32 -22.050 -7.671 -21.826 1.00 24.34 C ATOM 433 CG LEU A 32 -22.719 -7.196 -20.536 1.00 13.03 C ATOM 434 CD1 LEU A 32 -23.245 -5.778 -20.698 1.00 74.45 C ATOM 435 CD2 LEU A 32 -23.843 -8.142 -20.139 1.00 14.34 C ATOM 0 H LEU A 32 -20.377 -8.745 -20.360 1.00 10.31 H new ATOM 0 HA LEU A 32 -20.226 -7.624 -22.962 1.00 3.52 H new ATOM 0 HB2 LEU A 32 -22.559 -7.203 -22.669 1.00 24.34 H new ATOM 0 HB3 LEU A 32 -22.204 -8.746 -21.917 1.00 24.34 H new ATOM 0 HG LEU A 32 -21.973 -7.196 -19.741 1.00 13.03 H new ATOM 0 HD11 LEU A 32 -23.718 -5.457 -19.770 1.00 74.45 H new ATOM 0 HD12 LEU A 32 -22.418 -5.108 -20.935 1.00 74.45 H new ATOM 0 HD13 LEU A 32 -23.976 -5.751 -21.506 1.00 74.45 H new ATOM 0 HD21 LEU A 32 -24.308 -7.789 -19.219 1.00 14.34 H new ATOM 0 HD22 LEU A 32 -24.589 -8.174 -20.933 1.00 14.34 H new ATOM 0 HD23 LEU A 32 -23.438 -9.142 -19.980 1.00 14.34 H new ATOM 447 N ASN A 33 -20.284 -5.113 -22.751 1.00 74.31 N ATOM 448 CA ASN A 33 -20.040 -3.680 -22.635 1.00 71.25 C ATOM 449 C ASN A 33 -20.538 -2.942 -23.874 1.00 54.31 C ATOM 450 O ASN A 33 -19.810 -2.150 -24.473 1.00 23.33 O ATOM 451 CB ASN A 33 -18.548 -3.411 -22.433 1.00 44.24 C ATOM 452 CG ASN A 33 -18.292 -2.218 -21.533 1.00 12.33 C ATOM 453 OD1 ASN A 33 -19.144 -1.340 -21.390 1.00 44.02 O ATOM 454 ND2 ASN A 33 -17.115 -2.181 -20.920 1.00 3.32 N ATOM 0 H ASN A 33 -20.453 -5.436 -23.703 1.00 74.31 H new ATOM 0 HA ASN A 33 -20.589 -3.312 -21.769 1.00 71.25 H new ATOM 0 HB2 ASN A 33 -18.077 -4.295 -22.003 1.00 44.24 H new ATOM 0 HB3 ASN A 33 -18.078 -3.239 -23.401 1.00 44.24 H new ATOM 0 HD21 ASN A 33 -16.887 -1.403 -20.301 1.00 3.32 H new ATOM 0 HD22 ASN A 33 -16.439 -2.931 -21.068 1.00 3.32 H new ATOM 461 N ASP A 34 -21.784 -3.206 -24.252 1.00 52.21 N ATOM 462 CA ASP A 34 -22.381 -2.565 -25.418 1.00 74.43 C ATOM 463 C ASP A 34 -23.850 -2.239 -25.166 1.00 51.24 C ATOM 464 O ASP A 34 -24.698 -2.430 -26.038 1.00 34.31 O ATOM 465 CB ASP A 34 -22.250 -3.469 -26.646 1.00 12.53 C ATOM 466 CG ASP A 34 -20.814 -3.868 -26.919 1.00 63.43 C ATOM 467 OD1 ASP A 34 -20.241 -4.618 -26.101 1.00 43.33 O ATOM 468 OD2 ASP A 34 -20.262 -3.431 -27.951 1.00 70.22 O ATOM 0 H ASP A 34 -22.400 -3.859 -23.768 1.00 52.21 H new ATOM 0 HA ASP A 34 -21.847 -1.633 -25.603 1.00 74.43 H new ATOM 0 HB2 ASP A 34 -22.852 -4.366 -26.499 1.00 12.53 H new ATOM 0 HB3 ASP A 34 -22.653 -2.954 -27.518 1.00 12.53 H new ATOM 473 N LYS A 35 -24.144 -1.746 -23.968 1.00 51.51 N ATOM 474 CA LYS A 35 -25.510 -1.392 -23.600 1.00 2.41 C ATOM 475 C LYS A 35 -25.521 -0.275 -22.561 1.00 32.35 C ATOM 476 O LYS A 35 -25.628 -0.533 -21.361 1.00 45.30 O ATOM 477 CB LYS A 35 -26.247 -2.617 -23.056 1.00 30.34 C ATOM 478 CG LYS A 35 -27.717 -2.365 -22.769 1.00 72.21 C ATOM 479 CD LYS A 35 -28.563 -2.510 -24.023 1.00 64.53 C ATOM 480 CE LYS A 35 -28.965 -1.155 -24.584 1.00 72.22 C ATOM 481 NZ LYS A 35 -30.215 -0.644 -23.956 1.00 3.11 N ATOM 0 H LYS A 35 -23.454 -1.582 -23.235 1.00 51.51 H new ATOM 0 HA LYS A 35 -26.021 -1.037 -24.495 1.00 2.41 H new ATOM 0 HB2 LYS A 35 -26.160 -3.432 -23.775 1.00 30.34 H new ATOM 0 HB3 LYS A 35 -25.758 -2.947 -22.140 1.00 30.34 H new ATOM 0 HG2 LYS A 35 -28.066 -3.066 -22.011 1.00 72.21 H new ATOM 0 HG3 LYS A 35 -27.842 -1.363 -22.359 1.00 72.21 H new ATOM 0 HD2 LYS A 35 -28.006 -3.066 -24.777 1.00 64.53 H new ATOM 0 HD3 LYS A 35 -29.457 -3.090 -23.795 1.00 64.53 H new ATOM 0 HE2 LYS A 35 -28.158 -0.440 -24.421 1.00 72.22 H new ATOM 0 HE3 LYS A 35 -29.107 -1.236 -25.662 1.00 72.22 H new ATOM 0 HZ1 LYS A 35 -30.456 0.281 -24.365 1.00 3.11 H new ATOM 0 HZ2 LYS A 35 -30.991 -1.313 -24.133 1.00 3.11 H new ATOM 0 HZ3 LYS A 35 -30.072 -0.543 -22.931 1.00 3.11 H new ATOM 495 N ILE A 36 -25.412 0.964 -23.028 1.00 74.43 N ATOM 496 CA ILE A 36 -25.413 2.118 -22.139 1.00 1.23 C ATOM 497 C ILE A 36 -24.706 1.801 -20.825 1.00 61.25 C ATOM 498 O ILE A 36 -25.348 1.488 -19.823 1.00 22.31 O ATOM 499 CB ILE A 36 -26.846 2.594 -21.835 1.00 42.42 C ATOM 500 CG1 ILE A 36 -26.832 3.647 -20.724 1.00 74.44 C ATOM 501 CG2 ILE A 36 -27.724 1.415 -21.445 1.00 13.22 C ATOM 502 CD1 ILE A 36 -27.861 4.740 -20.915 1.00 64.41 C ATOM 0 H ILE A 36 -25.322 1.194 -24.018 1.00 74.43 H new ATOM 0 HA ILE A 36 -24.876 2.914 -22.655 1.00 1.23 H new ATOM 0 HB ILE A 36 -27.261 3.048 -22.735 1.00 42.42 H new ATOM 0 HG12 ILE A 36 -27.008 3.156 -19.767 1.00 74.44 H new ATOM 0 HG13 ILE A 36 -25.841 4.097 -20.673 1.00 74.44 H new ATOM 0 HG21 ILE A 36 -28.733 1.767 -21.233 1.00 13.22 H new ATOM 0 HG22 ILE A 36 -27.755 0.697 -22.265 1.00 13.22 H new ATOM 0 HG23 ILE A 36 -27.314 0.934 -20.557 1.00 13.22 H new ATOM 0 HD11 ILE A 36 -27.794 5.451 -20.091 1.00 64.41 H new ATOM 0 HD12 ILE A 36 -27.673 5.257 -21.856 1.00 64.41 H new ATOM 0 HD13 ILE A 36 -28.859 4.301 -20.935 1.00 64.41 H new ATOM 514 N SER A 37 -23.379 1.886 -20.838 1.00 75.43 N ATOM 515 CA SER A 37 -22.584 1.605 -19.649 1.00 10.54 C ATOM 516 C SER A 37 -21.938 2.880 -19.115 1.00 0.24 C ATOM 517 O SER A 37 -21.809 3.872 -19.832 1.00 74.14 O ATOM 518 CB SER A 37 -21.506 0.567 -19.963 1.00 63.22 C ATOM 519 OG SER A 37 -22.034 -0.747 -19.916 1.00 71.21 O ATOM 0 H SER A 37 -22.833 2.147 -21.659 1.00 75.43 H new ATOM 0 HA SER A 37 -23.249 1.206 -18.883 1.00 10.54 H new ATOM 0 HB2 SER A 37 -21.088 0.759 -20.951 1.00 63.22 H new ATOM 0 HB3 SER A 37 -20.688 0.660 -19.248 1.00 63.22 H new ATOM 0 HG SER A 37 -21.325 -1.392 -20.122 1.00 71.21 H new ATOM 525 N SER A 38 -21.533 2.846 -17.849 1.00 72.40 N ATOM 526 CA SER A 38 -20.904 3.999 -17.216 1.00 23.40 C ATOM 527 C SER A 38 -19.446 3.703 -16.877 1.00 2.44 C ATOM 528 O SER A 38 -19.135 2.685 -16.258 1.00 73.34 O ATOM 529 CB SER A 38 -21.665 4.390 -15.948 1.00 72.20 C ATOM 530 OG SER A 38 -23.060 4.456 -16.191 1.00 2.23 O ATOM 0 H SER A 38 -21.629 2.032 -17.242 1.00 72.40 H new ATOM 0 HA SER A 38 -20.934 4.831 -17.920 1.00 23.40 H new ATOM 0 HB2 SER A 38 -21.464 3.664 -15.161 1.00 72.20 H new ATOM 0 HB3 SER A 38 -21.309 5.356 -15.589 1.00 72.20 H new ATOM 0 HG SER A 38 -23.544 4.387 -15.341 1.00 2.23 H new ATOM 536 N ILE A 39 -18.556 4.602 -17.286 1.00 33.44 N ATOM 537 CA ILE A 39 -17.132 4.439 -17.024 1.00 65.24 C ATOM 538 C ILE A 39 -16.566 5.648 -16.288 1.00 1.23 C ATOM 539 O ILE A 39 -16.461 6.739 -16.850 1.00 21.42 O ATOM 540 CB ILE A 39 -16.340 4.230 -18.329 1.00 52.32 C ATOM 541 CG1 ILE A 39 -16.393 2.761 -18.754 1.00 54.54 C ATOM 542 CG2 ILE A 39 -14.899 4.685 -18.153 1.00 30.41 C ATOM 543 CD1 ILE A 39 -17.791 2.271 -19.059 1.00 74.05 C ATOM 0 H ILE A 39 -18.796 5.450 -17.800 1.00 33.44 H new ATOM 0 HA ILE A 39 -17.026 3.553 -16.398 1.00 65.24 H new ATOM 0 HB ILE A 39 -16.797 4.832 -19.114 1.00 52.32 H new ATOM 0 HG12 ILE A 39 -15.768 2.624 -19.636 1.00 54.54 H new ATOM 0 HG13 ILE A 39 -15.966 2.146 -17.962 1.00 54.54 H new ATOM 0 HG21 ILE A 39 -14.353 4.531 -19.083 1.00 30.41 H new ATOM 0 HG22 ILE A 39 -14.881 5.743 -17.892 1.00 30.41 H new ATOM 0 HG23 ILE A 39 -14.430 4.107 -17.357 1.00 30.41 H new ATOM 0 HD11 ILE A 39 -17.753 1.222 -19.353 1.00 74.05 H new ATOM 0 HD12 ILE A 39 -18.415 2.376 -18.172 1.00 74.05 H new ATOM 0 HD13 ILE A 39 -18.214 2.861 -19.872 1.00 74.05 H new ATOM 555 N LYS A 40 -16.201 5.448 -15.026 1.00 63.20 N ATOM 556 CA LYS A 40 -15.642 6.520 -14.211 1.00 50.22 C ATOM 557 C LYS A 40 -14.311 6.100 -13.597 1.00 23.41 C ATOM 558 O LYS A 40 -14.276 5.413 -12.576 1.00 31.23 O ATOM 559 CB LYS A 40 -16.624 6.913 -13.106 1.00 15.24 C ATOM 560 CG LYS A 40 -16.110 8.019 -12.200 1.00 34.32 C ATOM 561 CD LYS A 40 -16.170 7.614 -10.736 1.00 60.35 C ATOM 562 CE LYS A 40 -17.585 7.715 -10.187 1.00 62.24 C ATOM 563 NZ LYS A 40 -17.787 8.964 -9.402 1.00 52.05 N ATOM 0 H LYS A 40 -16.282 4.552 -14.545 1.00 63.20 H new ATOM 0 HA LYS A 40 -15.468 7.380 -14.857 1.00 50.22 H new ATOM 0 HB2 LYS A 40 -17.561 7.234 -13.561 1.00 15.24 H new ATOM 0 HB3 LYS A 40 -16.848 6.034 -12.501 1.00 15.24 H new ATOM 0 HG2 LYS A 40 -15.082 8.263 -12.469 1.00 34.32 H new ATOM 0 HG3 LYS A 40 -16.702 8.921 -12.353 1.00 34.32 H new ATOM 0 HD2 LYS A 40 -15.808 6.592 -10.625 1.00 60.35 H new ATOM 0 HD3 LYS A 40 -15.506 8.253 -10.153 1.00 60.35 H new ATOM 0 HE2 LYS A 40 -18.297 7.685 -11.011 1.00 62.24 H new ATOM 0 HE3 LYS A 40 -17.792 6.851 -9.555 1.00 62.24 H new ATOM 0 HZ1 LYS A 40 -18.763 8.996 -9.045 1.00 52.05 H new ATOM 0 HZ2 LYS A 40 -17.125 8.981 -8.600 1.00 52.05 H new ATOM 0 HZ3 LYS A 40 -17.614 9.789 -10.011 1.00 52.05 H new ATOM 577 N VAL A 41 -13.216 6.517 -14.225 1.00 11.42 N ATOM 578 CA VAL A 41 -11.882 6.186 -13.738 1.00 52.12 C ATOM 579 C VAL A 41 -10.897 7.313 -14.026 1.00 2.45 C ATOM 580 O VAL A 41 -11.091 8.102 -14.951 1.00 3.12 O ATOM 581 CB VAL A 41 -11.359 4.886 -14.377 1.00 5.11 C ATOM 582 CG1 VAL A 41 -10.148 4.367 -13.616 1.00 33.22 C ATOM 583 CG2 VAL A 41 -12.458 3.836 -14.426 1.00 15.41 C ATOM 0 H VAL A 41 -13.227 7.085 -15.072 1.00 11.42 H new ATOM 0 HA VAL A 41 -11.964 6.045 -12.660 1.00 52.12 H new ATOM 0 HB VAL A 41 -11.050 5.103 -15.400 1.00 5.11 H new ATOM 0 HG11 VAL A 41 -9.792 3.448 -14.082 1.00 33.22 H new ATOM 0 HG12 VAL A 41 -9.356 5.116 -13.638 1.00 33.22 H new ATOM 0 HG13 VAL A 41 -10.427 4.165 -12.582 1.00 33.22 H new ATOM 0 HG21 VAL A 41 -12.070 2.924 -14.881 1.00 15.41 H new ATOM 0 HG22 VAL A 41 -12.800 3.620 -13.414 1.00 15.41 H new ATOM 0 HG23 VAL A 41 -13.293 4.210 -15.019 1.00 15.41 H new ATOM 593 N LYS A 42 -9.838 7.384 -13.226 1.00 64.24 N ATOM 594 CA LYS A 42 -8.819 8.413 -13.395 1.00 2.25 C ATOM 595 C LYS A 42 -7.425 7.846 -13.144 1.00 33.21 C ATOM 596 O LYS A 42 -6.945 7.831 -12.010 1.00 75.04 O ATOM 597 CB LYS A 42 -9.084 9.582 -12.443 1.00 3.20 C ATOM 598 CG LYS A 42 -10.538 10.020 -12.408 1.00 4.32 C ATOM 599 CD LYS A 42 -10.663 11.525 -12.239 1.00 44.23 C ATOM 600 CE LYS A 42 -10.184 12.266 -13.478 1.00 52.53 C ATOM 601 NZ LYS A 42 -11.302 12.960 -14.176 1.00 72.53 N ATOM 0 H LYS A 42 -9.663 6.741 -12.454 1.00 64.24 H new ATOM 0 HA LYS A 42 -8.866 8.771 -14.424 1.00 2.25 H new ATOM 0 HB2 LYS A 42 -8.774 9.298 -11.437 1.00 3.20 H new ATOM 0 HB3 LYS A 42 -8.465 10.429 -12.740 1.00 3.20 H new ATOM 0 HG2 LYS A 42 -11.033 9.714 -13.329 1.00 4.32 H new ATOM 0 HG3 LYS A 42 -11.051 9.517 -11.588 1.00 4.32 H new ATOM 0 HD2 LYS A 42 -11.702 11.785 -12.037 1.00 44.23 H new ATOM 0 HD3 LYS A 42 -10.081 11.845 -11.375 1.00 44.23 H new ATOM 0 HE2 LYS A 42 -9.425 12.995 -13.194 1.00 52.53 H new ATOM 0 HE3 LYS A 42 -9.710 11.562 -14.162 1.00 52.53 H new ATOM 0 HZ1 LYS A 42 -11.068 13.068 -15.184 1.00 72.53 H new ATOM 0 HZ2 LYS A 42 -12.172 12.399 -14.081 1.00 72.53 H new ATOM 0 HZ3 LYS A 42 -11.447 13.898 -13.752 1.00 72.53 H new ATOM 615 N SER A 43 -6.780 7.381 -14.209 1.00 32.10 N ATOM 616 CA SER A 43 -5.442 6.810 -14.104 1.00 13.35 C ATOM 617 C SER A 43 -4.805 6.662 -15.482 1.00 30.43 C ATOM 618 O SER A 43 -5.077 5.703 -16.204 1.00 11.42 O ATOM 619 CB SER A 43 -5.499 5.450 -13.406 1.00 4.13 C ATOM 620 OG SER A 43 -6.708 4.774 -13.703 1.00 11.14 O ATOM 0 H SER A 43 -7.162 7.388 -15.155 1.00 32.10 H new ATOM 0 HA SER A 43 -4.829 7.489 -13.511 1.00 13.35 H new ATOM 0 HB2 SER A 43 -4.652 4.841 -13.720 1.00 4.13 H new ATOM 0 HB3 SER A 43 -5.411 5.587 -12.328 1.00 4.13 H new ATOM 0 HG SER A 43 -6.719 3.907 -13.246 1.00 11.14 H new ATOM 626 N GLY A 44 -3.954 7.619 -15.840 1.00 32.41 N ATOM 627 CA GLY A 44 -3.291 7.577 -17.130 1.00 61.30 C ATOM 628 C GLY A 44 -4.266 7.404 -18.278 1.00 2.12 C ATOM 629 O GLY A 44 -5.224 8.167 -18.410 1.00 22.35 O ATOM 0 H GLY A 44 -3.712 8.422 -15.260 1.00 32.41 H new ATOM 0 HA2 GLY A 44 -2.725 8.497 -17.274 1.00 61.30 H new ATOM 0 HA3 GLY A 44 -2.574 6.756 -17.140 1.00 61.30 H new ATOM 633 N THR A 45 -4.022 6.399 -19.114 1.00 1.34 N ATOM 634 CA THR A 45 -4.884 6.131 -20.258 1.00 24.42 C ATOM 635 C THR A 45 -5.251 4.653 -20.334 1.00 53.22 C ATOM 636 O THR A 45 -4.490 3.791 -19.895 1.00 51.22 O ATOM 637 CB THR A 45 -4.211 6.549 -21.579 1.00 3.55 C ATOM 638 OG1 THR A 45 -2.961 5.867 -21.730 1.00 31.33 O ATOM 639 CG2 THR A 45 -3.981 8.053 -21.616 1.00 23.23 C ATOM 0 H THR A 45 -3.234 5.758 -19.020 1.00 1.34 H new ATOM 0 HA THR A 45 -5.789 6.722 -20.117 1.00 24.42 H new ATOM 0 HB THR A 45 -4.874 6.277 -22.401 1.00 3.55 H new ATOM 0 HG1 THR A 45 -2.541 6.137 -22.573 1.00 31.33 H new ATOM 0 HG21 THR A 45 -3.505 8.325 -22.558 1.00 23.23 H new ATOM 0 HG22 THR A 45 -4.937 8.569 -21.530 1.00 23.23 H new ATOM 0 HG23 THR A 45 -3.336 8.343 -20.786 1.00 23.23 H new ATOM 647 N TRP A 46 -6.421 4.368 -20.894 1.00 71.04 N ATOM 648 CA TRP A 46 -6.889 2.993 -21.029 1.00 1.03 C ATOM 649 C TRP A 46 -7.427 2.736 -22.432 1.00 64.41 C ATOM 650 O TRP A 46 -7.957 3.639 -23.079 1.00 10.03 O ATOM 651 CB TRP A 46 -7.974 2.698 -19.992 1.00 3.15 C ATOM 652 CG TRP A 46 -8.048 3.724 -18.901 1.00 62.14 C ATOM 653 CD1 TRP A 46 -7.097 3.987 -17.957 1.00 64.23 C ATOM 654 CD2 TRP A 46 -9.132 4.622 -18.642 1.00 52.11 C ATOM 655 NE1 TRP A 46 -7.524 4.994 -17.127 1.00 14.43 N ATOM 656 CE2 TRP A 46 -8.770 5.402 -17.526 1.00 63.33 C ATOM 657 CE3 TRP A 46 -10.373 4.845 -19.245 1.00 0.20 C ATOM 658 CZ2 TRP A 46 -9.605 6.385 -17.003 1.00 2.22 C ATOM 659 CZ3 TRP A 46 -11.201 5.821 -18.724 1.00 43.41 C ATOM 660 CH2 TRP A 46 -10.814 6.582 -17.613 1.00 2.12 C ATOM 0 H TRP A 46 -7.063 5.070 -21.262 1.00 71.04 H new ATOM 0 HA TRP A 46 -6.042 2.329 -20.858 1.00 1.03 H new ATOM 0 HB2 TRP A 46 -8.940 2.641 -20.494 1.00 3.15 H new ATOM 0 HB3 TRP A 46 -7.787 1.720 -19.549 1.00 3.15 H new ATOM 0 HD1 TRP A 46 -6.148 3.478 -17.875 1.00 64.23 H new ATOM 0 HE1 TRP A 46 -6.999 5.377 -16.341 1.00 14.43 H new ATOM 0 HE3 TRP A 46 -10.679 4.265 -20.103 1.00 0.20 H new ATOM 0 HZ2 TRP A 46 -9.309 6.972 -16.146 1.00 2.22 H new ATOM 0 HZ3 TRP A 46 -12.163 6.000 -19.181 1.00 43.41 H new ATOM 0 HH2 TRP A 46 -11.483 7.339 -17.231 1.00 2.12 H new ATOM 671 N ARG A 47 -7.286 1.499 -22.897 1.00 75.42 N ATOM 672 CA ARG A 47 -7.758 1.124 -24.225 1.00 23.41 C ATOM 673 C ARG A 47 -9.041 0.302 -24.135 1.00 4.44 C ATOM 674 O ARG A 47 -9.050 -0.795 -23.576 1.00 42.14 O ATOM 675 CB ARG A 47 -6.681 0.328 -24.966 1.00 13.04 C ATOM 676 CG ARG A 47 -5.458 1.152 -25.331 1.00 4.44 C ATOM 677 CD ARG A 47 -4.254 0.768 -24.484 1.00 71.35 C ATOM 678 NE ARG A 47 -2.998 1.197 -25.093 1.00 3.14 N ATOM 679 CZ ARG A 47 -2.481 0.641 -26.183 1.00 53.40 C ATOM 680 NH1 ARG A 47 -3.110 -0.360 -26.782 1.00 74.21 N ATOM 681 NH2 ARG A 47 -1.333 1.088 -26.677 1.00 34.13 N ATOM 0 H ARG A 47 -6.849 0.740 -22.374 1.00 75.42 H new ATOM 0 HA ARG A 47 -7.971 2.038 -24.779 1.00 23.41 H new ATOM 0 HB2 ARG A 47 -6.370 -0.512 -24.345 1.00 13.04 H new ATOM 0 HB3 ARG A 47 -7.112 -0.090 -25.876 1.00 13.04 H new ATOM 0 HG2 ARG A 47 -5.223 1.009 -26.386 1.00 4.44 H new ATOM 0 HG3 ARG A 47 -5.677 2.211 -25.194 1.00 4.44 H new ATOM 0 HD2 ARG A 47 -4.349 1.216 -23.495 1.00 71.35 H new ATOM 0 HD3 ARG A 47 -4.239 -0.313 -24.344 1.00 71.35 H new ATOM 0 HE ARG A 47 -2.489 1.966 -24.657 1.00 3.14 H new ATOM 0 HH11 ARG A 47 -3.993 -0.705 -26.406 1.00 74.21 H new ATOM 0 HH12 ARG A 47 -2.711 -0.785 -27.619 1.00 74.21 H new ATOM 0 HH21 ARG A 47 -0.847 1.859 -26.220 1.00 34.13 H new ATOM 0 HH22 ARG A 47 -0.937 0.660 -27.514 1.00 34.13 H new ATOM 695 N PHE A 48 -10.122 0.842 -24.687 1.00 73.30 N ATOM 696 CA PHE A 48 -11.411 0.160 -24.668 1.00 33.03 C ATOM 697 C PHE A 48 -11.737 -0.427 -26.038 1.00 24.20 C ATOM 698 O PHE A 48 -11.556 0.228 -27.065 1.00 33.22 O ATOM 699 CB PHE A 48 -12.517 1.127 -24.239 1.00 30.31 C ATOM 700 CG PHE A 48 -12.791 1.107 -22.762 1.00 41.32 C ATOM 701 CD1 PHE A 48 -13.666 0.181 -22.219 1.00 32.22 C ATOM 702 CD2 PHE A 48 -12.173 2.015 -21.918 1.00 3.14 C ATOM 703 CE1 PHE A 48 -13.920 0.161 -20.860 1.00 55.44 C ATOM 704 CE2 PHE A 48 -12.423 2.000 -20.558 1.00 42.22 C ATOM 705 CZ PHE A 48 -13.297 1.071 -20.029 1.00 11.30 C ATOM 0 H PHE A 48 -10.131 1.749 -25.153 1.00 73.30 H new ATOM 0 HA PHE A 48 -11.351 -0.656 -23.948 1.00 33.03 H new ATOM 0 HB2 PHE A 48 -12.239 2.139 -24.535 1.00 30.31 H new ATOM 0 HB3 PHE A 48 -13.434 0.878 -24.774 1.00 30.31 H new ATOM 0 HD1 PHE A 48 -14.155 -0.533 -22.864 1.00 32.22 H new ATOM 0 HD2 PHE A 48 -11.488 2.743 -22.327 1.00 3.14 H new ATOM 0 HE1 PHE A 48 -14.605 -0.566 -20.449 1.00 55.44 H new ATOM 0 HE2 PHE A 48 -11.935 2.714 -19.911 1.00 42.22 H new ATOM 0 HZ PHE A 48 -13.493 1.056 -18.967 1.00 11.30 H new ATOM 715 N TYR A 49 -12.216 -1.666 -26.045 1.00 53.23 N ATOM 716 CA TYR A 49 -12.564 -2.343 -27.289 1.00 33.44 C ATOM 717 C TYR A 49 -13.516 -3.507 -27.027 1.00 42.11 C ATOM 718 O TYR A 49 -13.295 -4.312 -26.123 1.00 65.13 O ATOM 719 CB TYR A 49 -11.302 -2.850 -27.988 1.00 40.35 C ATOM 720 CG TYR A 49 -10.258 -3.391 -27.038 1.00 12.12 C ATOM 721 CD1 TYR A 49 -10.361 -4.677 -26.521 1.00 13.53 C ATOM 722 CD2 TYR A 49 -9.170 -2.617 -26.656 1.00 3.32 C ATOM 723 CE1 TYR A 49 -9.410 -5.175 -25.651 1.00 75.12 C ATOM 724 CE2 TYR A 49 -8.213 -3.107 -25.788 1.00 74.51 C ATOM 725 CZ TYR A 49 -8.338 -4.387 -25.288 1.00 52.04 C ATOM 726 OH TYR A 49 -7.389 -4.879 -24.423 1.00 25.13 O ATOM 0 H TYR A 49 -12.372 -2.222 -25.204 1.00 53.23 H new ATOM 0 HA TYR A 49 -13.066 -1.624 -27.937 1.00 33.44 H new ATOM 0 HB2 TYR A 49 -11.578 -3.633 -28.695 1.00 40.35 H new ATOM 0 HB3 TYR A 49 -10.866 -2.036 -28.568 1.00 40.35 H new ATOM 0 HD1 TYR A 49 -11.198 -5.297 -26.804 1.00 13.53 H new ATOM 0 HD2 TYR A 49 -9.070 -1.614 -27.044 1.00 3.32 H new ATOM 0 HE1 TYR A 49 -9.506 -6.176 -25.257 1.00 75.12 H new ATOM 0 HE2 TYR A 49 -7.372 -2.492 -25.503 1.00 74.51 H new ATOM 0 HH TYR A 49 -6.701 -4.198 -24.271 1.00 25.13 H new ATOM 736 N GLU A 50 -14.575 -3.588 -27.826 1.00 52.41 N ATOM 737 CA GLU A 50 -15.561 -4.652 -27.681 1.00 70.24 C ATOM 738 C GLU A 50 -15.380 -5.712 -28.764 1.00 60.30 C ATOM 739 O GLU A 50 -16.028 -5.664 -29.810 1.00 2.10 O ATOM 740 CB GLU A 50 -16.978 -4.078 -27.746 1.00 42.13 C ATOM 741 CG GLU A 50 -17.482 -3.548 -26.414 1.00 65.23 C ATOM 742 CD GLU A 50 -16.568 -2.492 -25.823 1.00 62.32 C ATOM 743 OE1 GLU A 50 -15.548 -2.868 -25.209 1.00 24.25 O ATOM 744 OE2 GLU A 50 -16.873 -1.291 -25.975 1.00 5.13 O ATOM 0 H GLU A 50 -14.772 -2.930 -28.580 1.00 52.41 H new ATOM 0 HA GLU A 50 -15.411 -5.121 -26.708 1.00 70.24 H new ATOM 0 HB2 GLU A 50 -17.001 -3.273 -28.480 1.00 42.13 H new ATOM 0 HB3 GLU A 50 -17.659 -4.852 -28.100 1.00 42.13 H new ATOM 0 HG2 GLU A 50 -18.478 -3.127 -26.548 1.00 65.23 H new ATOM 0 HG3 GLU A 50 -17.578 -4.375 -25.711 1.00 65.23 H new ATOM 751 N TYR A 51 -14.495 -6.668 -28.505 1.00 63.23 N ATOM 752 CA TYR A 51 -14.225 -7.739 -29.458 1.00 14.31 C ATOM 753 C TYR A 51 -13.102 -8.643 -28.958 1.00 54.45 C ATOM 754 O TYR A 51 -12.627 -8.495 -27.832 1.00 65.34 O ATOM 755 CB TYR A 51 -13.856 -7.154 -30.823 1.00 32.55 C ATOM 756 CG TYR A 51 -14.844 -7.496 -31.915 1.00 33.22 C ATOM 757 CD1 TYR A 51 -15.271 -8.804 -32.108 1.00 55.14 C ATOM 758 CD2 TYR A 51 -15.351 -6.511 -32.753 1.00 15.42 C ATOM 759 CE1 TYR A 51 -16.173 -9.121 -33.106 1.00 14.44 C ATOM 760 CE2 TYR A 51 -16.255 -6.818 -33.752 1.00 0.22 C ATOM 761 CZ TYR A 51 -16.662 -8.124 -33.924 1.00 74.25 C ATOM 762 OH TYR A 51 -17.562 -8.435 -34.918 1.00 72.31 O ATOM 0 H TYR A 51 -13.952 -6.724 -27.643 1.00 63.23 H new ATOM 0 HA TYR A 51 -15.130 -8.338 -29.560 1.00 14.31 H new ATOM 0 HB2 TYR A 51 -13.783 -6.070 -30.737 1.00 32.55 H new ATOM 0 HB3 TYR A 51 -12.869 -7.518 -31.110 1.00 32.55 H new ATOM 0 HD1 TYR A 51 -14.892 -9.586 -31.467 1.00 55.14 H new ATOM 0 HD2 TYR A 51 -15.033 -5.487 -32.621 1.00 15.42 H new ATOM 0 HE1 TYR A 51 -16.493 -10.143 -33.244 1.00 14.44 H new ATOM 0 HE2 TYR A 51 -16.640 -6.040 -34.394 1.00 0.22 H new ATOM 0 HH TYR A 51 -17.808 -7.620 -35.403 1.00 72.31 H new ATOM 772 N ILE A 52 -12.684 -9.577 -29.805 1.00 22.42 N ATOM 773 CA ILE A 52 -11.616 -10.504 -29.451 1.00 61.32 C ATOM 774 C ILE A 52 -10.318 -9.761 -29.154 1.00 14.54 C ATOM 775 O ILE A 52 -10.221 -8.553 -29.366 1.00 1.32 O ATOM 776 CB ILE A 52 -11.362 -11.526 -30.575 1.00 73.32 C ATOM 777 CG1 ILE A 52 -11.090 -10.806 -31.897 1.00 51.13 C ATOM 778 CG2 ILE A 52 -12.550 -12.467 -30.713 1.00 63.32 C ATOM 779 CD1 ILE A 52 -10.971 -11.740 -33.081 1.00 72.01 C ATOM 0 H ILE A 52 -13.068 -9.712 -30.740 1.00 22.42 H new ATOM 0 HA ILE A 52 -11.942 -11.033 -28.556 1.00 61.32 H new ATOM 0 HB ILE A 52 -10.483 -12.117 -30.317 1.00 73.32 H new ATOM 0 HG12 ILE A 52 -11.894 -10.094 -32.086 1.00 51.13 H new ATOM 0 HG13 ILE A 52 -10.169 -10.230 -31.805 1.00 51.13 H new ATOM 0 HG21 ILE A 52 -12.356 -13.183 -31.511 1.00 63.32 H new ATOM 0 HG22 ILE A 52 -12.702 -13.001 -29.775 1.00 63.32 H new ATOM 0 HG23 ILE A 52 -13.444 -11.891 -30.952 1.00 63.32 H new ATOM 0 HD11 ILE A 52 -10.778 -11.160 -33.984 1.00 72.01 H new ATOM 0 HD12 ILE A 52 -10.149 -12.436 -32.914 1.00 72.01 H new ATOM 0 HD13 ILE A 52 -11.900 -12.298 -33.199 1.00 72.01 H new ATOM 791 N ASN A 53 -9.323 -10.491 -28.662 1.00 31.40 N ATOM 792 CA ASN A 53 -8.030 -9.901 -28.336 1.00 61.11 C ATOM 793 C ASN A 53 -7.358 -9.339 -29.585 1.00 53.14 C ATOM 794 O ASN A 53 -6.536 -8.426 -29.503 1.00 54.15 O ATOM 795 CB ASN A 53 -7.121 -10.943 -27.680 1.00 13.42 C ATOM 796 CG ASN A 53 -5.911 -10.317 -27.014 1.00 13.42 C ATOM 797 OD1 ASN A 53 -4.772 -10.580 -27.398 1.00 43.21 O ATOM 798 ND2 ASN A 53 -6.154 -9.483 -26.009 1.00 53.11 N ATOM 0 H ASN A 53 -9.387 -11.493 -28.480 1.00 31.40 H new ATOM 0 HA ASN A 53 -8.199 -9.083 -27.636 1.00 61.11 H new ATOM 0 HB2 ASN A 53 -7.691 -11.503 -26.939 1.00 13.42 H new ATOM 0 HB3 ASN A 53 -6.789 -11.657 -28.433 1.00 13.42 H new ATOM 0 HD21 ASN A 53 -5.380 -9.032 -25.522 1.00 53.11 H new ATOM 0 HD22 ASN A 53 -7.115 -9.294 -25.724 1.00 53.11 H new ATOM 805 N TYR A 54 -7.714 -9.890 -30.740 1.00 53.03 N ATOM 806 CA TYR A 54 -7.145 -9.445 -32.007 1.00 32.31 C ATOM 807 C TYR A 54 -8.238 -9.226 -33.048 1.00 54.13 C ATOM 808 O TYR A 54 -8.660 -10.160 -33.728 1.00 75.13 O ATOM 809 CB TYR A 54 -6.132 -10.469 -32.522 1.00 74.15 C ATOM 810 CG TYR A 54 -6.299 -11.844 -31.916 1.00 72.10 C ATOM 811 CD1 TYR A 54 -7.454 -12.585 -32.134 1.00 32.23 C ATOM 812 CD2 TYR A 54 -5.303 -12.402 -31.125 1.00 4.32 C ATOM 813 CE1 TYR A 54 -7.611 -13.842 -31.581 1.00 55.42 C ATOM 814 CE2 TYR A 54 -5.451 -13.658 -30.570 1.00 5.14 C ATOM 815 CZ TYR A 54 -6.607 -14.374 -30.800 1.00 43.24 C ATOM 816 OH TYR A 54 -6.758 -15.625 -30.248 1.00 15.12 O ATOM 0 H TYR A 54 -8.394 -10.646 -30.825 1.00 53.03 H new ATOM 0 HA TYR A 54 -6.637 -8.496 -31.835 1.00 32.31 H new ATOM 0 HB2 TYR A 54 -6.224 -10.545 -33.605 1.00 74.15 H new ATOM 0 HB3 TYR A 54 -5.125 -10.109 -32.312 1.00 74.15 H new ATOM 0 HD1 TYR A 54 -8.242 -12.172 -32.746 1.00 32.23 H new ATOM 0 HD2 TYR A 54 -4.397 -11.844 -30.941 1.00 4.32 H new ATOM 0 HE1 TYR A 54 -8.515 -14.405 -31.760 1.00 55.42 H new ATOM 0 HE2 TYR A 54 -4.665 -14.077 -29.959 1.00 5.14 H new ATOM 0 HH TYR A 54 -5.959 -15.851 -29.727 1.00 15.12 H new ATOM 826 N GLY A 55 -8.693 -7.982 -33.167 1.00 45.21 N ATOM 827 CA GLY A 55 -9.732 -7.660 -34.127 1.00 70.13 C ATOM 828 C GLY A 55 -10.970 -7.084 -33.470 1.00 34.11 C ATOM 829 O GLY A 55 -11.956 -7.790 -33.261 1.00 11.13 O ATOM 0 H GLY A 55 -8.360 -7.191 -32.615 1.00 45.21 H new ATOM 0 HA2 GLY A 55 -9.343 -6.945 -34.852 1.00 70.13 H new ATOM 0 HA3 GLY A 55 -10.003 -8.559 -34.680 1.00 70.13 H new ATOM 833 N GLY A 56 -10.920 -5.797 -33.141 1.00 41.43 N ATOM 834 CA GLY A 56 -12.052 -5.148 -32.505 1.00 61.42 C ATOM 835 C GLY A 56 -12.002 -3.639 -32.633 1.00 14.22 C ATOM 836 O GLY A 56 -11.074 -3.089 -33.226 1.00 22.42 O ATOM 0 H GLY A 56 -10.115 -5.192 -33.304 1.00 41.43 H new ATOM 0 HA2 GLY A 56 -12.976 -5.517 -32.951 1.00 61.42 H new ATOM 0 HA3 GLY A 56 -12.077 -5.419 -31.450 1.00 61.42 H new ATOM 840 N ARG A 57 -13.005 -2.966 -32.077 1.00 23.33 N ATOM 841 CA ARG A 57 -13.073 -1.511 -32.134 1.00 31.12 C ATOM 842 C ARG A 57 -12.156 -0.882 -31.089 1.00 22.40 C ATOM 843 O ARG A 57 -12.475 -0.861 -29.900 1.00 54.51 O ATOM 844 CB ARG A 57 -14.511 -1.038 -31.916 1.00 55.10 C ATOM 845 CG ARG A 57 -14.666 0.474 -31.940 1.00 64.02 C ATOM 846 CD ARG A 57 -15.030 1.019 -30.568 1.00 72.21 C ATOM 847 NE ARG A 57 -15.974 2.130 -30.654 1.00 4.44 N ATOM 848 CZ ARG A 57 -16.550 2.688 -29.595 1.00 1.32 C ATOM 849 NH1 ARG A 57 -16.280 2.241 -28.376 1.00 71.33 N ATOM 850 NH2 ARG A 57 -17.398 3.697 -29.754 1.00 22.53 N ATOM 0 H ARG A 57 -13.781 -3.406 -31.582 1.00 23.33 H new ATOM 0 HA ARG A 57 -12.739 -1.195 -33.122 1.00 31.12 H new ATOM 0 HB2 ARG A 57 -15.148 -1.472 -32.687 1.00 55.10 H new ATOM 0 HB3 ARG A 57 -14.867 -1.416 -30.958 1.00 55.10 H new ATOM 0 HG2 ARG A 57 -13.736 0.931 -32.279 1.00 64.02 H new ATOM 0 HG3 ARG A 57 -15.437 0.750 -32.659 1.00 64.02 H new ATOM 0 HD2 ARG A 57 -15.463 0.221 -29.964 1.00 72.21 H new ATOM 0 HD3 ARG A 57 -14.126 1.350 -30.058 1.00 72.21 H new ATOM 0 HE ARG A 57 -16.204 2.497 -31.577 1.00 4.44 H new ATOM 0 HH11 ARG A 57 -15.628 1.467 -28.249 1.00 71.33 H new ATOM 0 HH12 ARG A 57 -16.724 2.672 -27.565 1.00 71.33 H new ATOM 0 HH21 ARG A 57 -17.608 4.044 -30.690 1.00 22.53 H new ATOM 0 HH22 ARG A 57 -17.840 4.125 -28.940 1.00 22.53 H new ATOM 864 N TYR A 58 -11.015 -0.373 -31.541 1.00 13.13 N ATOM 865 CA TYR A 58 -10.050 0.253 -30.645 1.00 52.50 C ATOM 866 C TYR A 58 -10.482 1.672 -30.285 1.00 31.34 C ATOM 867 O TYR A 58 -10.746 2.494 -31.162 1.00 73.31 O ATOM 868 CB TYR A 58 -8.664 0.279 -31.292 1.00 14.30 C ATOM 869 CG TYR A 58 -7.678 1.172 -30.574 1.00 43.44 C ATOM 870 CD1 TYR A 58 -7.615 1.198 -29.187 1.00 23.42 C ATOM 871 CD2 TYR A 58 -6.807 1.990 -31.285 1.00 15.54 C ATOM 872 CE1 TYR A 58 -6.715 2.013 -28.527 1.00 73.42 C ATOM 873 CE2 TYR A 58 -5.904 2.808 -30.633 1.00 63.35 C ATOM 874 CZ TYR A 58 -5.862 2.816 -29.255 1.00 22.42 C ATOM 875 OH TYR A 58 -4.963 3.628 -28.602 1.00 34.24 O ATOM 0 H TYR A 58 -10.736 -0.382 -32.522 1.00 13.13 H new ATOM 0 HA TYR A 58 -10.006 -0.338 -29.730 1.00 52.50 H new ATOM 0 HB2 TYR A 58 -8.267 -0.736 -31.322 1.00 14.30 H new ATOM 0 HB3 TYR A 58 -8.760 0.615 -32.325 1.00 14.30 H new ATOM 0 HD1 TYR A 58 -8.281 0.570 -28.614 1.00 23.42 H new ATOM 0 HD2 TYR A 58 -6.837 1.986 -32.365 1.00 15.54 H new ATOM 0 HE1 TYR A 58 -6.680 2.021 -27.448 1.00 73.42 H new ATOM 0 HE2 TYR A 58 -5.235 3.438 -31.200 1.00 63.35 H new ATOM 0 HH TYR A 58 -4.436 4.128 -29.260 1.00 34.24 H new ATOM 885 N TRP A 59 -10.550 1.950 -28.988 1.00 55.30 N ATOM 886 CA TRP A 59 -10.950 3.269 -28.510 1.00 5.31 C ATOM 887 C TRP A 59 -10.365 3.548 -27.129 1.00 74.54 C ATOM 888 O TRP A 59 -10.848 3.025 -26.124 1.00 42.14 O ATOM 889 CB TRP A 59 -12.475 3.378 -28.463 1.00 65.35 C ATOM 890 CG TRP A 59 -12.970 4.357 -27.442 1.00 64.24 C ATOM 891 CD1 TRP A 59 -12.653 5.683 -27.357 1.00 60.42 C ATOM 892 CD2 TRP A 59 -13.868 4.086 -26.361 1.00 4.44 C ATOM 893 NE1 TRP A 59 -13.300 6.253 -26.287 1.00 72.45 N ATOM 894 CE2 TRP A 59 -14.052 5.295 -25.660 1.00 73.35 C ATOM 895 CE3 TRP A 59 -14.535 2.942 -25.917 1.00 33.05 C ATOM 896 CZ2 TRP A 59 -14.875 5.388 -24.541 1.00 73.14 C ATOM 897 CZ3 TRP A 59 -15.352 3.036 -24.805 1.00 44.15 C ATOM 898 CH2 TRP A 59 -15.517 4.252 -24.129 1.00 23.25 C ATOM 0 H TRP A 59 -10.334 1.281 -28.249 1.00 55.30 H new ATOM 0 HA TRP A 59 -10.562 4.013 -29.206 1.00 5.31 H new ATOM 0 HB2 TRP A 59 -12.841 3.673 -29.446 1.00 65.35 H new ATOM 0 HB3 TRP A 59 -12.896 2.396 -28.248 1.00 65.35 H new ATOM 0 HD1 TRP A 59 -11.991 6.206 -28.031 1.00 60.42 H new ATOM 0 HE1 TRP A 59 -13.231 7.231 -26.005 1.00 72.45 H new ATOM 0 HE3 TRP A 59 -14.415 2.001 -26.433 1.00 33.05 H new ATOM 0 HZ2 TRP A 59 -15.002 6.324 -24.017 1.00 73.14 H new ATOM 0 HZ3 TRP A 59 -15.871 2.157 -24.452 1.00 44.15 H new ATOM 0 HH2 TRP A 59 -16.164 4.294 -23.265 1.00 23.25 H new ATOM 909 N ASP A 60 -9.325 4.373 -27.087 1.00 74.12 N ATOM 910 CA ASP A 60 -8.676 4.721 -25.829 1.00 14.54 C ATOM 911 C ASP A 60 -9.087 6.119 -25.374 1.00 61.33 C ATOM 912 O ASP A 60 -9.558 6.930 -26.173 1.00 21.50 O ATOM 913 CB ASP A 60 -7.156 4.646 -25.976 1.00 60.31 C ATOM 914 CG ASP A 60 -6.631 5.583 -27.046 1.00 23.31 C ATOM 915 OD1 ASP A 60 -6.973 5.383 -28.230 1.00 71.13 O ATOM 916 OD2 ASP A 60 -5.878 6.516 -26.699 1.00 1.34 O ATOM 0 H ASP A 60 -8.913 4.813 -27.910 1.00 74.12 H new ATOM 0 HA ASP A 60 -8.996 4.003 -25.073 1.00 14.54 H new ATOM 0 HB2 ASP A 60 -6.689 4.891 -25.022 1.00 60.31 H new ATOM 0 HB3 ASP A 60 -6.867 3.623 -26.219 1.00 60.31 H new ATOM 921 N LEU A 61 -8.906 6.393 -24.087 1.00 52.52 N ATOM 922 CA LEU A 61 -9.259 7.693 -23.525 1.00 64.15 C ATOM 923 C LEU A 61 -8.461 7.971 -22.255 1.00 51.54 C ATOM 924 O LEU A 61 -7.934 7.054 -21.627 1.00 53.23 O ATOM 925 CB LEU A 61 -10.757 7.750 -23.223 1.00 51.54 C ATOM 926 CG LEU A 61 -11.235 6.916 -22.034 1.00 44.41 C ATOM 927 CD1 LEU A 61 -12.076 7.763 -21.092 1.00 31.02 C ATOM 928 CD2 LEU A 61 -12.022 5.706 -22.514 1.00 32.13 C ATOM 0 H LEU A 61 -8.517 5.733 -23.413 1.00 52.52 H new ATOM 0 HA LEU A 61 -9.014 8.459 -24.261 1.00 64.15 H new ATOM 0 HB2 LEU A 61 -11.032 8.790 -23.046 1.00 51.54 H new ATOM 0 HB3 LEU A 61 -11.299 7.424 -24.111 1.00 51.54 H new ATOM 0 HG LEU A 61 -10.361 6.562 -21.488 1.00 44.41 H new ATOM 0 HD11 LEU A 61 -12.407 7.153 -20.252 1.00 31.02 H new ATOM 0 HD12 LEU A 61 -11.479 8.597 -20.722 1.00 31.02 H new ATOM 0 HD13 LEU A 61 -12.945 8.147 -21.626 1.00 31.02 H new ATOM 0 HD21 LEU A 61 -12.354 5.124 -21.655 1.00 32.13 H new ATOM 0 HD22 LEU A 61 -12.889 6.039 -23.084 1.00 32.13 H new ATOM 0 HD23 LEU A 61 -11.387 5.087 -23.148 1.00 32.13 H new ATOM 940 N GLY A 62 -8.379 9.245 -21.882 1.00 24.12 N ATOM 941 CA GLY A 62 -7.646 9.621 -20.687 1.00 44.42 C ATOM 942 C GLY A 62 -8.449 9.402 -19.421 1.00 20.43 C ATOM 943 O GLY A 62 -9.453 8.689 -19.413 1.00 10.13 O ATOM 0 H GLY A 62 -8.807 10.022 -22.385 1.00 24.12 H new ATOM 0 HA2 GLY A 62 -6.724 9.042 -20.633 1.00 44.42 H new ATOM 0 HA3 GLY A 62 -7.360 10.671 -20.755 1.00 44.42 H new ATOM 947 N PRO A 63 -8.004 10.022 -18.318 1.00 12.31 N ATOM 948 CA PRO A 63 -8.674 9.905 -17.019 1.00 64.01 C ATOM 949 C PRO A 63 -9.907 10.796 -16.920 1.00 2.42 C ATOM 950 O PRO A 63 -9.798 11.998 -16.681 1.00 53.42 O ATOM 951 CB PRO A 63 -7.602 10.361 -16.025 1.00 54.55 C ATOM 952 CG PRO A 63 -6.727 11.279 -16.807 1.00 51.22 C ATOM 953 CD PRO A 63 -6.814 10.887 -18.254 1.00 60.03 C ATOM 0 HA PRO A 63 -9.040 8.894 -16.838 1.00 64.01 H new ATOM 0 HB2 PRO A 63 -8.046 10.870 -15.170 1.00 54.55 H new ATOM 0 HB3 PRO A 63 -7.038 9.514 -15.634 1.00 54.55 H new ATOM 0 HG2 PRO A 63 -7.044 12.313 -16.673 1.00 51.22 H new ATOM 0 HG3 PRO A 63 -5.697 11.214 -16.456 1.00 51.22 H new ATOM 0 HD2 PRO A 63 -6.920 11.760 -18.898 1.00 60.03 H new ATOM 0 HD3 PRO A 63 -5.918 10.358 -18.579 1.00 60.03 H new ATOM 961 N GLY A 64 -11.080 10.199 -17.104 1.00 71.43 N ATOM 962 CA GLY A 64 -12.317 10.954 -17.031 1.00 51.01 C ATOM 963 C GLY A 64 -13.538 10.060 -16.941 1.00 1.04 C ATOM 964 O GLY A 64 -13.479 8.882 -17.291 1.00 20.12 O ATOM 0 H GLY A 64 -11.196 9.205 -17.302 1.00 71.43 H new ATOM 0 HA2 GLY A 64 -12.287 11.611 -16.162 1.00 51.01 H new ATOM 0 HA3 GLY A 64 -12.402 11.592 -17.911 1.00 51.01 H new ATOM 968 N GLU A 65 -14.647 10.621 -16.468 1.00 24.11 N ATOM 969 CA GLU A 65 -15.886 9.865 -16.330 1.00 64.52 C ATOM 970 C GLU A 65 -16.889 10.263 -17.409 1.00 62.30 C ATOM 971 O GLU A 65 -16.922 11.413 -17.847 1.00 14.14 O ATOM 972 CB GLU A 65 -16.495 10.088 -14.944 1.00 44.45 C ATOM 973 CG GLU A 65 -17.895 9.519 -14.796 1.00 74.00 C ATOM 974 CD GLU A 65 -18.969 10.482 -15.264 1.00 12.13 C ATOM 975 OE1 GLU A 65 -18.966 11.643 -14.805 1.00 41.51 O ATOM 976 OE2 GLU A 65 -19.813 10.074 -16.089 1.00 30.41 O ATOM 0 H GLU A 65 -14.712 11.596 -16.174 1.00 24.11 H new ATOM 0 HA GLU A 65 -15.651 8.807 -16.449 1.00 64.52 H new ATOM 0 HB2 GLU A 65 -15.847 9.635 -14.194 1.00 44.45 H new ATOM 0 HB3 GLU A 65 -16.523 11.158 -14.736 1.00 44.45 H new ATOM 0 HG2 GLU A 65 -17.969 8.593 -15.366 1.00 74.00 H new ATOM 0 HG3 GLU A 65 -18.071 9.264 -13.751 1.00 74.00 H new ATOM 983 N TYR A 66 -17.704 9.304 -17.833 1.00 61.43 N ATOM 984 CA TYR A 66 -18.706 9.552 -18.863 1.00 10.22 C ATOM 985 C TYR A 66 -19.807 8.497 -18.817 1.00 15.51 C ATOM 986 O TYR A 66 -19.619 7.411 -18.270 1.00 74.33 O ATOM 987 CB TYR A 66 -18.054 9.565 -20.246 1.00 70.24 C ATOM 988 CG TYR A 66 -18.148 8.242 -20.972 1.00 71.23 C ATOM 989 CD1 TYR A 66 -17.263 7.208 -20.692 1.00 12.24 C ATOM 990 CD2 TYR A 66 -19.123 8.025 -21.938 1.00 51.14 C ATOM 991 CE1 TYR A 66 -17.345 5.998 -21.353 1.00 11.21 C ATOM 992 CE2 TYR A 66 -19.213 6.818 -22.604 1.00 35.22 C ATOM 993 CZ TYR A 66 -18.322 5.808 -22.308 1.00 20.31 C ATOM 994 OH TYR A 66 -18.408 4.603 -22.968 1.00 1.31 O ATOM 0 H TYR A 66 -17.691 8.347 -17.479 1.00 61.43 H new ATOM 0 HA TYR A 66 -19.154 10.527 -18.671 1.00 10.22 H new ATOM 0 HB2 TYR A 66 -18.525 10.338 -20.853 1.00 70.24 H new ATOM 0 HB3 TYR A 66 -17.004 9.839 -20.141 1.00 70.24 H new ATOM 0 HD1 TYR A 66 -16.497 7.353 -19.944 1.00 12.24 H new ATOM 0 HD2 TYR A 66 -19.823 8.814 -22.172 1.00 51.14 H new ATOM 0 HE1 TYR A 66 -16.648 5.205 -21.123 1.00 11.21 H new ATOM 0 HE2 TYR A 66 -19.977 6.666 -23.352 1.00 35.22 H new ATOM 0 HH TYR A 66 -19.332 4.278 -22.936 1.00 1.31 H new ATOM 1004 N SER A 67 -20.958 8.827 -19.396 1.00 24.10 N ATOM 1005 CA SER A 67 -22.092 7.911 -19.419 1.00 63.54 C ATOM 1006 C SER A 67 -23.017 8.221 -20.592 1.00 0.10 C ATOM 1007 O SER A 67 -24.144 8.680 -20.403 1.00 45.15 O ATOM 1008 CB SER A 67 -22.870 7.995 -18.105 1.00 22.22 C ATOM 1009 OG SER A 67 -24.109 7.315 -18.201 1.00 72.33 O ATOM 0 H SER A 67 -21.129 9.722 -19.855 1.00 24.10 H new ATOM 0 HA SER A 67 -21.707 6.899 -19.540 1.00 63.54 H new ATOM 0 HB2 SER A 67 -22.276 7.563 -17.299 1.00 22.22 H new ATOM 0 HB3 SER A 67 -23.044 9.040 -17.848 1.00 22.22 H new ATOM 0 HG SER A 67 -24.622 7.675 -18.954 1.00 72.33 H new ATOM 1015 N SER A 68 -22.532 7.967 -21.803 1.00 54.24 N ATOM 1016 CA SER A 68 -23.313 8.223 -23.008 1.00 73.21 C ATOM 1017 C SER A 68 -24.224 7.040 -23.326 1.00 45.54 C ATOM 1018 O SER A 68 -24.300 6.078 -22.563 1.00 70.30 O ATOM 1019 CB SER A 68 -22.386 8.501 -24.193 1.00 31.31 C ATOM 1020 OG SER A 68 -21.500 9.569 -23.907 1.00 53.35 O ATOM 0 H SER A 68 -21.602 7.584 -21.976 1.00 54.24 H new ATOM 0 HA SER A 68 -23.935 9.100 -22.829 1.00 73.21 H new ATOM 0 HB2 SER A 68 -21.814 7.604 -24.430 1.00 31.31 H new ATOM 0 HB3 SER A 68 -22.980 8.743 -25.074 1.00 31.31 H new ATOM 0 HG SER A 68 -20.917 9.726 -24.679 1.00 53.35 H new ATOM 1026 N VAL A 69 -24.913 7.121 -24.460 1.00 62.12 N ATOM 1027 CA VAL A 69 -25.818 6.058 -24.882 1.00 4.22 C ATOM 1028 C VAL A 69 -25.954 6.022 -26.400 1.00 2.51 C ATOM 1029 O VAL A 69 -26.914 5.468 -26.933 1.00 53.43 O ATOM 1030 CB VAL A 69 -27.214 6.229 -24.256 1.00 15.11 C ATOM 1031 CG1 VAL A 69 -27.968 7.364 -24.932 1.00 44.53 C ATOM 1032 CG2 VAL A 69 -28.000 4.930 -24.345 1.00 33.43 C ATOM 0 H VAL A 69 -24.862 7.911 -25.103 1.00 62.12 H new ATOM 0 HA VAL A 69 -25.386 5.119 -24.537 1.00 4.22 H new ATOM 0 HB VAL A 69 -27.092 6.483 -23.203 1.00 15.11 H new ATOM 0 HG11 VAL A 69 -28.952 7.469 -24.476 1.00 44.53 H new ATOM 0 HG12 VAL A 69 -27.411 8.293 -24.812 1.00 44.53 H new ATOM 0 HG13 VAL A 69 -28.082 7.144 -25.993 1.00 44.53 H new ATOM 0 HG21 VAL A 69 -28.984 5.069 -23.898 1.00 33.43 H new ATOM 0 HG22 VAL A 69 -28.114 4.644 -25.391 1.00 33.43 H new ATOM 0 HG23 VAL A 69 -27.466 4.144 -23.810 1.00 33.43 H new ATOM 1042 N GLU A 70 -24.985 6.617 -27.090 1.00 14.03 N ATOM 1043 CA GLU A 70 -24.998 6.653 -28.547 1.00 52.14 C ATOM 1044 C GLU A 70 -23.675 7.185 -29.090 1.00 41.31 C ATOM 1045 O GLU A 70 -23.632 7.807 -30.152 1.00 13.25 O ATOM 1046 CB GLU A 70 -26.154 7.522 -29.048 1.00 42.10 C ATOM 1047 CG GLU A 70 -26.040 8.981 -28.638 1.00 73.21 C ATOM 1048 CD GLU A 70 -27.236 9.805 -29.076 1.00 62.51 C ATOM 1049 OE1 GLU A 70 -28.374 9.303 -28.969 1.00 31.30 O ATOM 1050 OE2 GLU A 70 -27.032 10.952 -29.526 1.00 32.22 O ATOM 0 H GLU A 70 -24.182 7.080 -26.663 1.00 14.03 H new ATOM 0 HA GLU A 70 -25.136 5.634 -28.909 1.00 52.14 H new ATOM 0 HB2 GLU A 70 -26.199 7.461 -30.135 1.00 42.10 H new ATOM 0 HB3 GLU A 70 -27.092 7.119 -28.667 1.00 42.10 H new ATOM 0 HG2 GLU A 70 -25.938 9.043 -27.555 1.00 73.21 H new ATOM 0 HG3 GLU A 70 -25.133 9.406 -29.069 1.00 73.21 H new ATOM 1057 N SER A 71 -22.597 6.937 -28.353 1.00 70.42 N ATOM 1058 CA SER A 71 -21.273 7.394 -28.757 1.00 43.02 C ATOM 1059 C SER A 71 -20.184 6.533 -28.124 1.00 61.11 C ATOM 1060 O SER A 71 -19.044 6.970 -27.967 1.00 54.21 O ATOM 1061 CB SER A 71 -21.074 8.859 -28.363 1.00 63.13 C ATOM 1062 OG SER A 71 -19.798 9.326 -28.765 1.00 43.34 O ATOM 0 H SER A 71 -22.615 6.422 -27.473 1.00 70.42 H new ATOM 0 HA SER A 71 -21.199 7.303 -29.841 1.00 43.02 H new ATOM 0 HB2 SER A 71 -21.850 9.471 -28.822 1.00 63.13 H new ATOM 0 HB3 SER A 71 -21.181 8.966 -27.284 1.00 63.13 H new ATOM 0 HG SER A 71 -19.124 8.641 -28.574 1.00 43.34 H new ATOM 1068 N ALA A 72 -20.544 5.306 -27.762 1.00 74.15 N ATOM 1069 CA ALA A 72 -19.599 4.382 -27.148 1.00 71.24 C ATOM 1070 C ALA A 72 -19.685 3.001 -27.790 1.00 50.45 C ATOM 1071 O ALA A 72 -19.292 2.002 -27.191 1.00 31.42 O ATOM 1072 CB ALA A 72 -19.852 4.286 -25.651 1.00 4.20 C ATOM 0 H ALA A 72 -21.484 4.929 -27.884 1.00 74.15 H new ATOM 0 HA ALA A 72 -18.593 4.768 -27.312 1.00 71.24 H new ATOM 0 HB1 ALA A 72 -19.139 3.592 -25.205 1.00 4.20 H new ATOM 0 HB2 ALA A 72 -19.733 5.270 -25.198 1.00 4.20 H new ATOM 0 HB3 ALA A 72 -20.866 3.926 -25.476 1.00 4.20 H new ATOM 1078 N GLY A 73 -20.203 2.954 -29.014 1.00 64.14 N ATOM 1079 CA GLY A 73 -20.331 1.691 -29.717 1.00 34.41 C ATOM 1080 C GLY A 73 -21.029 0.633 -28.885 1.00 23.14 C ATOM 1081 O GLY A 73 -20.392 -0.300 -28.394 1.00 3.30 O ATOM 0 H GLY A 73 -20.536 3.768 -29.531 1.00 64.14 H new ATOM 0 HA2 GLY A 73 -20.887 1.848 -30.641 1.00 34.41 H new ATOM 0 HA3 GLY A 73 -19.341 1.333 -29.998 1.00 34.41 H new ATOM 1085 N ILE A 74 -22.340 0.778 -28.724 1.00 4.23 N ATOM 1086 CA ILE A 74 -23.123 -0.172 -27.944 1.00 71.33 C ATOM 1087 C ILE A 74 -24.184 -0.847 -28.806 1.00 73.55 C ATOM 1088 O ILE A 74 -25.386 -0.657 -28.619 1.00 0.54 O ATOM 1089 CB ILE A 74 -23.809 0.512 -26.747 1.00 72.41 C ATOM 1090 CG1 ILE A 74 -24.486 1.809 -27.192 1.00 53.45 C ATOM 1091 CG2 ILE A 74 -22.799 0.787 -25.644 1.00 24.44 C ATOM 1092 CD1 ILE A 74 -25.620 2.241 -26.289 1.00 30.54 C ATOM 0 H ILE A 74 -22.882 1.544 -29.123 1.00 4.23 H new ATOM 0 HA ILE A 74 -22.427 -0.924 -27.572 1.00 71.33 H new ATOM 0 HB ILE A 74 -24.573 -0.158 -26.354 1.00 72.41 H new ATOM 0 HG12 ILE A 74 -23.741 2.603 -27.231 1.00 53.45 H new ATOM 0 HG13 ILE A 74 -24.868 1.681 -28.205 1.00 53.45 H new ATOM 0 HG21 ILE A 74 -23.299 1.271 -24.805 1.00 24.44 H new ATOM 0 HG22 ILE A 74 -22.359 -0.153 -25.311 1.00 24.44 H new ATOM 0 HG23 ILE A 74 -22.014 1.441 -26.024 1.00 24.44 H new ATOM 0 HD11 ILE A 74 -26.053 3.168 -26.666 1.00 30.54 H new ATOM 0 HD12 ILE A 74 -26.385 1.465 -26.269 1.00 30.54 H new ATOM 0 HD13 ILE A 74 -25.240 2.402 -25.280 1.00 30.54 H new ATOM 1104 N PRO A 75 -23.732 -1.658 -29.775 1.00 31.34 N ATOM 1105 CA PRO A 75 -24.627 -2.381 -30.684 1.00 5.21 C ATOM 1106 C PRO A 75 -25.124 -3.693 -30.087 1.00 2.22 C ATOM 1107 O PRO A 75 -26.328 -3.900 -29.937 1.00 20.53 O ATOM 1108 CB PRO A 75 -23.747 -2.650 -31.907 1.00 42.54 C ATOM 1109 CG PRO A 75 -22.633 -1.667 -31.796 1.00 42.33 C ATOM 1110 CD PRO A 75 -22.313 -1.933 -30.056 1.00 1.53 C ATOM 0 HA PRO A 75 -25.529 -1.811 -30.907 1.00 5.21 H new ATOM 0 HB2 PRO A 75 -23.373 -3.674 -31.908 1.00 42.54 H new ATOM 0 HB3 PRO A 75 -24.305 -2.513 -32.834 1.00 42.54 H new ATOM 0 HG2 PRO A 75 -21.781 -1.904 -32.434 1.00 42.33 H new ATOM 0 HG3 PRO A 75 -22.932 -0.645 -32.030 1.00 42.33 H new ATOM 0 HD2 PRO A 75 -21.977 -2.937 -29.797 1.00 1.53 H new ATOM 0 HD3 PRO A 75 -21.609 -1.234 -29.604 1.00 1.53 H new ATOM 1118 N ASP A 76 -24.190 -4.575 -29.748 1.00 1.42 N ATOM 1119 CA ASP A 76 -24.534 -5.867 -29.165 1.00 44.53 C ATOM 1120 C ASP A 76 -23.618 -6.193 -27.990 1.00 20.52 C ATOM 1121 O ASP A 76 -22.408 -5.983 -28.056 1.00 63.30 O ATOM 1122 CB ASP A 76 -24.440 -6.968 -30.222 1.00 41.25 C ATOM 1123 CG ASP A 76 -25.597 -7.944 -30.146 1.00 33.03 C ATOM 1124 OD1 ASP A 76 -25.750 -8.601 -29.095 1.00 63.32 O ATOM 1125 OD2 ASP A 76 -26.350 -8.051 -31.137 1.00 31.44 O ATOM 0 H ASP A 76 -23.189 -4.419 -29.867 1.00 1.42 H new ATOM 0 HA ASP A 76 -25.559 -5.812 -28.799 1.00 44.53 H new ATOM 0 HB2 ASP A 76 -24.415 -6.515 -31.213 1.00 41.25 H new ATOM 0 HB3 ASP A 76 -23.503 -7.510 -30.096 1.00 41.25 H new ATOM 1130 N ASN A 77 -24.205 -6.708 -26.914 1.00 52.01 N ATOM 1131 CA ASN A 77 -23.442 -7.062 -25.723 1.00 32.42 C ATOM 1132 C ASN A 77 -22.632 -8.334 -25.954 1.00 44.03 C ATOM 1133 O ASN A 77 -23.074 -9.434 -25.623 1.00 14.31 O ATOM 1134 CB ASN A 77 -24.380 -7.252 -24.529 1.00 31.40 C ATOM 1135 CG ASN A 77 -24.489 -6.004 -23.675 1.00 54.22 C ATOM 1136 OD1 ASN A 77 -23.558 -5.201 -23.608 1.00 35.13 O ATOM 1137 ND2 ASN A 77 -25.631 -5.835 -23.018 1.00 3.05 N ATOM 0 H ASN A 77 -25.206 -6.889 -26.843 1.00 52.01 H new ATOM 0 HA ASN A 77 -22.752 -6.246 -25.509 1.00 32.42 H new ATOM 0 HB2 ASN A 77 -25.370 -7.530 -24.889 1.00 31.40 H new ATOM 0 HB3 ASN A 77 -24.020 -8.078 -23.916 1.00 31.40 H new ATOM 0 HD21 ASN A 77 -25.763 -5.013 -22.428 1.00 3.05 H new ATOM 0 HD22 ASN A 77 -26.376 -6.527 -23.103 1.00 3.05 H new ATOM 1144 N SER A 78 -21.442 -8.175 -26.525 1.00 24.02 N ATOM 1145 CA SER A 78 -20.570 -9.310 -26.804 1.00 21.23 C ATOM 1146 C SER A 78 -19.244 -9.173 -26.061 1.00 15.23 C ATOM 1147 O SER A 78 -19.103 -8.333 -25.171 1.00 53.24 O ATOM 1148 CB SER A 78 -20.315 -9.427 -28.308 1.00 3.24 C ATOM 1149 OG SER A 78 -21.498 -9.176 -29.047 1.00 24.34 O ATOM 0 H SER A 78 -21.060 -7.271 -26.803 1.00 24.02 H new ATOM 0 HA SER A 78 -21.070 -10.214 -26.456 1.00 21.23 H new ATOM 0 HB2 SER A 78 -19.540 -8.720 -28.605 1.00 3.24 H new ATOM 0 HB3 SER A 78 -19.942 -10.425 -28.540 1.00 3.24 H new ATOM 0 HG SER A 78 -21.308 -9.255 -30.005 1.00 24.34 H new ATOM 1155 N ILE A 79 -18.276 -10.004 -26.432 1.00 14.30 N ATOM 1156 CA ILE A 79 -16.962 -9.975 -25.802 1.00 52.22 C ATOM 1157 C ILE A 79 -16.410 -8.555 -25.748 1.00 45.43 C ATOM 1158 O ILE A 79 -16.447 -7.825 -26.739 1.00 0.00 O ATOM 1159 CB ILE A 79 -15.960 -10.876 -26.549 1.00 14.45 C ATOM 1160 CG1 ILE A 79 -16.052 -10.636 -28.057 1.00 62.50 C ATOM 1161 CG2 ILE A 79 -16.219 -12.339 -26.222 1.00 44.10 C ATOM 1162 CD1 ILE A 79 -14.974 -11.345 -28.847 1.00 73.15 C ATOM 0 H ILE A 79 -18.377 -10.706 -27.166 1.00 14.30 H new ATOM 0 HA ILE A 79 -17.090 -10.351 -24.787 1.00 52.22 H new ATOM 0 HB ILE A 79 -14.951 -10.624 -26.221 1.00 14.45 H new ATOM 0 HG12 ILE A 79 -17.028 -10.967 -28.411 1.00 62.50 H new ATOM 0 HG13 ILE A 79 -15.989 -9.565 -28.251 1.00 62.50 H new ATOM 0 HG21 ILE A 79 -15.504 -12.964 -26.757 1.00 44.10 H new ATOM 0 HG22 ILE A 79 -16.108 -12.497 -25.149 1.00 44.10 H new ATOM 0 HG23 ILE A 79 -17.231 -12.606 -26.525 1.00 44.10 H new ATOM 0 HD11 ILE A 79 -15.100 -11.131 -29.908 1.00 73.15 H new ATOM 0 HD12 ILE A 79 -13.994 -10.996 -28.520 1.00 73.15 H new ATOM 0 HD13 ILE A 79 -15.050 -12.420 -28.682 1.00 73.15 H new ATOM 1174 N SER A 80 -15.895 -8.169 -24.585 1.00 31.42 N ATOM 1175 CA SER A 80 -15.336 -6.835 -24.400 1.00 62.55 C ATOM 1176 C SER A 80 -14.187 -6.862 -23.397 1.00 62.11 C ATOM 1177 O SER A 80 -14.271 -7.515 -22.357 1.00 72.32 O ATOM 1178 CB SER A 80 -16.420 -5.866 -23.926 1.00 1.10 C ATOM 1179 OG SER A 80 -17.698 -6.262 -24.393 1.00 41.53 O ATOM 0 H SER A 80 -15.853 -8.762 -23.756 1.00 31.42 H new ATOM 0 HA SER A 80 -14.949 -6.494 -25.360 1.00 62.55 H new ATOM 0 HB2 SER A 80 -16.424 -5.825 -22.837 1.00 1.10 H new ATOM 0 HB3 SER A 80 -16.195 -4.861 -24.282 1.00 1.10 H new ATOM 0 HG SER A 80 -18.066 -6.948 -23.797 1.00 41.53 H new ATOM 1185 N SER A 81 -13.113 -6.147 -23.717 1.00 51.04 N ATOM 1186 CA SER A 81 -11.945 -6.091 -22.847 1.00 5.31 C ATOM 1187 C SER A 81 -11.327 -4.696 -22.856 1.00 12.43 C ATOM 1188 O SER A 81 -11.361 -3.996 -23.868 1.00 43.31 O ATOM 1189 CB SER A 81 -10.905 -7.124 -23.286 1.00 41.42 C ATOM 1190 OG SER A 81 -10.810 -8.182 -22.349 1.00 30.11 O ATOM 0 H SER A 81 -13.028 -5.598 -24.573 1.00 51.04 H new ATOM 0 HA SER A 81 -12.268 -6.320 -21.832 1.00 5.31 H new ATOM 0 HB2 SER A 81 -11.175 -7.523 -24.264 1.00 41.42 H new ATOM 0 HB3 SER A 81 -9.933 -6.642 -23.395 1.00 41.42 H new ATOM 0 HG SER A 81 -10.140 -8.829 -22.653 1.00 30.11 H new ATOM 1196 N PHE A 82 -10.764 -4.298 -21.720 1.00 3.41 N ATOM 1197 CA PHE A 82 -10.139 -2.986 -21.595 1.00 11.21 C ATOM 1198 C PHE A 82 -9.035 -3.007 -20.542 1.00 62.41 C ATOM 1199 O PHE A 82 -9.207 -3.564 -19.458 1.00 14.35 O ATOM 1200 CB PHE A 82 -11.186 -1.932 -21.230 1.00 54.54 C ATOM 1201 CG PHE A 82 -11.775 -2.119 -19.861 1.00 63.32 C ATOM 1202 CD1 PHE A 82 -12.628 -3.179 -19.599 1.00 25.33 C ATOM 1203 CD2 PHE A 82 -11.474 -1.236 -18.837 1.00 34.34 C ATOM 1204 CE1 PHE A 82 -13.171 -3.354 -18.340 1.00 2.21 C ATOM 1205 CE2 PHE A 82 -12.014 -1.406 -17.576 1.00 14.14 C ATOM 1206 CZ PHE A 82 -12.863 -2.467 -17.327 1.00 1.22 C ATOM 0 H PHE A 82 -10.728 -4.865 -20.873 1.00 3.41 H new ATOM 0 HA PHE A 82 -9.695 -2.730 -22.557 1.00 11.21 H new ATOM 0 HB2 PHE A 82 -10.730 -0.944 -21.288 1.00 54.54 H new ATOM 0 HB3 PHE A 82 -11.988 -1.957 -21.968 1.00 54.54 H new ATOM 0 HD1 PHE A 82 -12.871 -3.876 -20.387 1.00 25.33 H new ATOM 0 HD2 PHE A 82 -10.810 -0.405 -19.026 1.00 34.34 H new ATOM 0 HE1 PHE A 82 -13.836 -4.184 -18.149 1.00 2.21 H new ATOM 0 HE2 PHE A 82 -11.772 -0.710 -16.786 1.00 14.14 H new ATOM 0 HZ PHE A 82 -13.285 -2.603 -16.342 1.00 1.22 H new ATOM 1216 N ARG A 83 -7.900 -2.398 -20.871 1.00 33.23 N ATOM 1217 CA ARG A 83 -6.767 -2.349 -19.955 1.00 42.52 C ATOM 1218 C ARG A 83 -6.452 -0.909 -19.557 1.00 71.51 C ATOM 1219 O ARG A 83 -6.528 0.002 -20.380 1.00 42.31 O ATOM 1220 CB ARG A 83 -5.537 -2.992 -20.598 1.00 5.15 C ATOM 1221 CG ARG A 83 -5.173 -2.396 -21.948 1.00 22.42 C ATOM 1222 CD ARG A 83 -3.695 -2.577 -22.256 1.00 42.14 C ATOM 1223 NE ARG A 83 -3.465 -2.907 -23.660 1.00 50.34 N ATOM 1224 CZ ARG A 83 -3.774 -4.081 -24.200 1.00 1.34 C ATOM 1225 NH1 ARG A 83 -4.323 -5.032 -23.456 1.00 42.53 N ATOM 1226 NH2 ARG A 83 -3.534 -4.305 -25.485 1.00 73.33 N ATOM 0 H ARG A 83 -7.741 -1.932 -21.764 1.00 33.23 H new ATOM 0 HA ARG A 83 -7.033 -2.906 -19.057 1.00 42.52 H new ATOM 0 HB2 ARG A 83 -4.688 -2.886 -19.923 1.00 5.15 H new ATOM 0 HB3 ARG A 83 -5.717 -4.060 -20.719 1.00 5.15 H new ATOM 0 HG2 ARG A 83 -5.769 -2.869 -22.728 1.00 22.42 H new ATOM 0 HG3 ARG A 83 -5.420 -1.334 -21.957 1.00 22.42 H new ATOM 0 HD2 ARG A 83 -3.158 -1.662 -22.006 1.00 42.14 H new ATOM 0 HD3 ARG A 83 -3.288 -3.368 -21.626 1.00 42.14 H new ATOM 0 HE ARG A 83 -3.044 -2.197 -24.259 1.00 50.34 H new ATOM 0 HH11 ARG A 83 -4.509 -4.863 -22.467 1.00 42.53 H new ATOM 0 HH12 ARG A 83 -4.560 -5.933 -23.872 1.00 42.53 H new ATOM 0 HH21 ARG A 83 -3.112 -3.576 -26.060 1.00 73.33 H new ATOM 0 HH22 ARG A 83 -3.772 -5.207 -25.899 1.00 73.33 H new ATOM 1240 N GLN A 84 -6.100 -0.715 -18.290 1.00 41.13 N ATOM 1241 CA GLN A 84 -5.775 0.613 -17.784 1.00 13.34 C ATOM 1242 C GLN A 84 -4.270 0.773 -17.602 1.00 5.51 C ATOM 1243 O GLN A 84 -3.593 -0.136 -17.121 1.00 45.21 O ATOM 1244 CB GLN A 84 -6.491 0.864 -16.455 1.00 41.42 C ATOM 1245 CG GLN A 84 -7.999 0.689 -16.534 1.00 22.12 C ATOM 1246 CD GLN A 84 -8.477 -0.570 -15.838 1.00 60.20 C ATOM 1247 OE1 GLN A 84 -8.264 -0.750 -14.639 1.00 2.44 O ATOM 1248 NE2 GLN A 84 -9.128 -1.451 -16.589 1.00 0.02 N ATOM 0 H GLN A 84 -6.033 -1.460 -17.596 1.00 41.13 H new ATOM 0 HA GLN A 84 -6.114 1.346 -18.516 1.00 13.34 H new ATOM 0 HB2 GLN A 84 -6.093 0.182 -15.703 1.00 41.42 H new ATOM 0 HB3 GLN A 84 -6.268 1.876 -16.117 1.00 41.42 H new ATOM 0 HG2 GLN A 84 -8.486 1.555 -16.085 1.00 22.12 H new ATOM 0 HG3 GLN A 84 -8.303 0.659 -17.580 1.00 22.12 H new ATOM 0 HE21 GLN A 84 -9.283 -1.261 -17.579 1.00 0.02 H new ATOM 0 HE22 GLN A 84 -9.473 -2.317 -16.176 1.00 0.02 H new ATOM 1257 N ILE A 85 -3.752 1.934 -17.990 1.00 11.35 N ATOM 1258 CA ILE A 85 -2.326 2.213 -17.868 1.00 55.13 C ATOM 1259 C ILE A 85 -2.055 3.210 -16.747 1.00 3.10 C ATOM 1260 O ILE A 85 -2.271 4.406 -16.938 1.00 63.35 O ATOM 1261 CB ILE A 85 -1.747 2.767 -19.184 1.00 33.53 C ATOM 1262 CG1 ILE A 85 -2.180 1.894 -20.364 1.00 12.31 C ATOM 1263 CG2 ILE A 85 -0.230 2.844 -19.103 1.00 70.43 C ATOM 1264 CD1 ILE A 85 -1.770 0.445 -20.226 1.00 62.25 C ATOM 0 H ILE A 85 -4.298 2.696 -18.391 1.00 11.35 H new ATOM 0 HA ILE A 85 -1.838 1.267 -17.635 1.00 55.13 H new ATOM 0 HB ILE A 85 -2.135 3.774 -19.340 1.00 33.53 H new ATOM 0 HG12 ILE A 85 -3.264 1.948 -20.467 1.00 12.31 H new ATOM 0 HG13 ILE A 85 -1.752 2.299 -21.281 1.00 12.31 H new ATOM 0 HG21 ILE A 85 0.165 3.237 -20.040 1.00 70.43 H new ATOM 0 HG22 ILE A 85 0.058 3.502 -18.283 1.00 70.43 H new ATOM 0 HG23 ILE A 85 0.176 1.848 -18.928 1.00 70.43 H new ATOM 0 HD11 ILE A 85 -2.110 -0.114 -21.098 1.00 62.25 H new ATOM 0 HD12 ILE A 85 -0.684 0.379 -20.153 1.00 62.25 H new ATOM 0 HD13 ILE A 85 -2.220 0.024 -19.327 1.00 62.25 H new TER 1276 ILE A 85 HETATM 1277 CA CA A 126 -23.623 -3.055 -21.430 1.00 42.11 CA HETATM 1278 CA CA A 136 -18.398 -6.040 -27.404 1.00 44.20 CA