USER MOD reduce.3.24.130724 H: found=0, std=0, add=1011, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 1011 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 97 MET CE :methyl 180:sc= -1.78 (180deg=-1.78) USER MOD Set 1.2: A 105 THR OG1 : rot 77:sc= 0.139 USER MOD Set 2.1: A 57 MET CE :methyl 170:sc= 0 (180deg=0) USER MOD Set 2.2: A 87 CYS SG : rot 74:sc= -0.695! USER MOD Set 3.1: A 51 GLN : amide:sc= -0.614 X(o=-0.61,f=-1) USER MOD Set 3.2: A 56 HIS : no HD1:sc= 0 X(o=-0.61,f=-0.61) USER MOD Set 4.1: A 53 GLN : amide:sc= 0.709 K(o=1.3,f=0.067) USER MOD Set 4.2: A 80 SER OG : rot 100:sc= 0.631 USER MOD Set 5.1: A 21 HIS : no HD1:sc= -1.61! K(o=-1.3!,f=-2.6) USER MOD Set 5.2: A 30 GLN : amide:sc= 0.269 K(o=-1.3,f=-3) USER MOD Single : A 1 MET CE :methyl -154:sc= 0 (180deg=-0.4) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -0.267 K(o=-0.27,f=-1.4) USER MOD Single : A 5 GLN : amide:sc= -0.0115 X(o=-0.011,f=-0.012) USER MOD Single : A 7 HIS : no HD1:sc= -0.028 X(o=-0.028,f=-0.028) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 162:sc= -0.0453 (180deg=-0.332) USER MOD Single : A 25 ASN : amide:sc= -0.389 K(o=-0.39,f=-3.5!) USER MOD Single : A 27 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 31 GLN : amide:sc= -1.76! K(o=-1.8!,f=-0.088) USER MOD Single : A 32 SER OG : rot 175:sc= -0.565! USER MOD Single : A 36 MET CE :methyl 154:sc= -0.363 (180deg=-0.983) USER MOD Single : A 43 HIS : no HD1:sc= -0.0605 X(o=-0.06,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0.451 USER MOD Single : A 64 ASN : amide:sc= -1.22 X(o=-1.2,f=-1.3) USER MOD Single : A 72 THR OG1 : rot 99:sc= 0.0629 USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 77 GLN : amide:sc= -0.285 X(o=-0.29,f=-0.65) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.11 USER MOD Single : A 89 THR OG1 : rot -83:sc= 0.981 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= 1.01 K(o=1,f=-2.2!) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= 0.864 K(o=0.86,f=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 120 MET CE :methyl -154:sc= -0.0212 (180deg=-1.31) USER MOD Single : A 127 HIS : no HD1:sc= -0.102 X(o=-0.1,f=-0.02) USER MOD Single : A 128 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 129 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 130 HIS : no HD1:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 131 HIS : no HD1:sc= -0.11 X(o=-0.11,f=-0.0054) USER MOD Single : A 132 HIS : no HD1:sc= -0.171 X(o=-0.17,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.607 -0.336 -18.566 1.00 0.00 N ATOM 2 CA MET A 1 2.799 0.895 -18.708 1.00 0.00 C ATOM 3 C MET A 1 1.906 0.802 -19.938 1.00 0.00 C ATOM 4 O MET A 1 2.387 0.522 -21.034 1.00 0.00 O ATOM 5 CB MET A 1 3.721 2.113 -18.820 1.00 0.00 C ATOM 6 CG MET A 1 2.985 3.435 -18.976 1.00 0.00 C ATOM 7 SD MET A 1 4.111 4.841 -19.073 1.00 0.00 S ATOM 8 CE MET A 1 2.950 6.195 -19.241 1.00 0.00 C ATOM 0 H1 MET A 1 4.211 -0.259 -17.723 1.00 0.00 H new ATOM 0 H2 MET A 1 2.975 -1.156 -18.466 1.00 0.00 H new ATOM 0 H3 MET A 1 4.203 -0.459 -19.409 1.00 0.00 H new ATOM 0 HA MET A 1 2.168 1.005 -17.826 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.350 2.162 -17.931 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.385 1.976 -19.674 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.371 3.402 -19.876 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.308 3.573 -18.133 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.432 7.025 -19.757 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.085 5.863 -19.815 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.626 6.521 -18.253 1.00 0.00 H new ATOM 20 N PRO A 2 0.590 1.016 -19.771 1.00 0.00 N ATOM 21 CA PRO A 2 -0.362 1.013 -20.886 1.00 0.00 C ATOM 22 C PRO A 2 -0.120 2.186 -21.833 1.00 0.00 C ATOM 23 O PRO A 2 -0.262 3.349 -21.447 1.00 0.00 O ATOM 24 CB PRO A 2 -1.733 1.144 -20.205 1.00 0.00 C ATOM 25 CG PRO A 2 -1.491 0.849 -18.762 1.00 0.00 C ATOM 26 CD PRO A 2 -0.078 1.267 -18.487 1.00 0.00 C ATOM 0 HA PRO A 2 -0.273 0.115 -21.498 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -2.143 2.145 -20.338 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -2.452 0.446 -20.633 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -2.190 1.396 -18.129 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -1.633 -0.211 -18.551 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -0.015 2.316 -18.196 1.00 0.00 H new ATOM 0 HD3 PRO A 2 0.366 0.685 -17.679 1.00 0.00 H new ATOM 34 N LEU A 3 0.253 1.882 -23.068 1.00 0.00 N ATOM 35 CA LEU A 3 0.628 2.916 -24.019 1.00 0.00 C ATOM 36 C LEU A 3 -0.583 3.488 -24.748 1.00 0.00 C ATOM 37 O LEU A 3 -0.855 3.152 -25.900 1.00 0.00 O ATOM 38 CB LEU A 3 1.653 2.388 -25.027 1.00 0.00 C ATOM 39 CG LEU A 3 2.994 1.961 -24.424 1.00 0.00 C ATOM 40 CD1 LEU A 3 3.943 1.497 -25.517 1.00 0.00 C ATOM 41 CD2 LEU A 3 3.613 3.103 -23.629 1.00 0.00 C ATOM 0 H LEU A 3 0.304 0.931 -23.433 1.00 0.00 H new ATOM 0 HA LEU A 3 1.083 3.724 -23.446 1.00 0.00 H new ATOM 0 HB2 LEU A 3 1.219 1.536 -25.550 1.00 0.00 H new ATOM 0 HB3 LEU A 3 1.837 3.161 -25.774 1.00 0.00 H new ATOM 0 HG LEU A 3 2.816 1.128 -23.744 1.00 0.00 H new ATOM 0 HD11 LEU A 3 4.892 1.197 -25.072 1.00 0.00 H new ATOM 0 HD12 LEU A 3 3.505 0.649 -26.043 1.00 0.00 H new ATOM 0 HD13 LEU A 3 4.114 2.312 -26.220 1.00 0.00 H new ATOM 0 HD21 LEU A 3 4.565 2.779 -23.209 1.00 0.00 H new ATOM 0 HD22 LEU A 3 3.778 3.957 -24.287 1.00 0.00 H new ATOM 0 HD23 LEU A 3 2.939 3.391 -22.822 1.00 0.00 H new ATOM 53 N ASN A 4 -1.330 4.318 -24.042 1.00 0.00 N ATOM 54 CA ASN A 4 -2.368 5.141 -24.654 1.00 0.00 C ATOM 55 C ASN A 4 -2.344 6.504 -23.975 1.00 0.00 C ATOM 56 O ASN A 4 -3.286 7.296 -24.043 1.00 0.00 O ATOM 57 CB ASN A 4 -3.746 4.485 -24.528 1.00 0.00 C ATOM 58 CG ASN A 4 -4.808 5.194 -25.353 1.00 0.00 C ATOM 59 OD1 ASN A 4 -4.509 5.813 -26.374 1.00 0.00 O ATOM 60 ND2 ASN A 4 -6.055 5.102 -24.921 1.00 0.00 N ATOM 0 H ASN A 4 -1.238 4.443 -23.034 1.00 0.00 H new ATOM 0 HA ASN A 4 -2.173 5.251 -25.721 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -3.679 3.444 -24.845 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -4.048 4.480 -23.481 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -6.809 5.553 -25.439 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -6.263 4.580 -24.070 1.00 0.00 H new ATOM 67 N GLN A 5 -1.230 6.746 -23.307 1.00 0.00 N ATOM 68 CA GLN A 5 -0.967 7.990 -22.614 1.00 0.00 C ATOM 69 C GLN A 5 0.538 8.126 -22.433 1.00 0.00 C ATOM 70 O GLN A 5 1.130 7.451 -21.592 1.00 0.00 O ATOM 71 CB GLN A 5 -1.680 8.012 -21.254 1.00 0.00 C ATOM 72 CG GLN A 5 -1.414 9.266 -20.435 1.00 0.00 C ATOM 73 CD GLN A 5 -1.970 10.525 -21.071 1.00 0.00 C ATOM 74 OE1 GLN A 5 -1.300 11.183 -21.867 1.00 0.00 O ATOM 75 NE2 GLN A 5 -3.196 10.876 -20.711 1.00 0.00 N ATOM 0 H GLN A 5 -0.470 6.070 -23.231 1.00 0.00 H new ATOM 0 HA GLN A 5 -1.348 8.828 -23.198 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -2.754 7.918 -21.417 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -1.368 7.141 -20.678 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -1.851 9.144 -19.444 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -0.339 9.381 -20.297 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -3.717 10.302 -20.048 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -3.619 11.720 -21.097 1.00 0.00 H new ATOM 84 N GLU A 6 1.153 8.959 -23.257 1.00 0.00 N ATOM 85 CA GLU A 6 2.600 9.110 -23.256 1.00 0.00 C ATOM 86 C GLU A 6 3.062 9.797 -21.979 1.00 0.00 C ATOM 87 O GLU A 6 3.740 9.195 -21.145 1.00 0.00 O ATOM 88 CB GLU A 6 3.038 9.908 -24.486 1.00 0.00 C ATOM 89 CG GLU A 6 4.055 9.186 -25.355 1.00 0.00 C ATOM 90 CD GLU A 6 5.437 9.145 -24.739 1.00 0.00 C ATOM 91 OE1 GLU A 6 5.688 8.294 -23.864 1.00 0.00 O ATOM 92 OE2 GLU A 6 6.291 9.964 -25.141 1.00 0.00 O ATOM 0 H GLU A 6 0.670 9.544 -23.939 1.00 0.00 H new ATOM 0 HA GLU A 6 3.060 8.123 -23.295 1.00 0.00 H new ATOM 0 HB2 GLU A 6 2.160 10.141 -25.088 1.00 0.00 H new ATOM 0 HB3 GLU A 6 3.462 10.858 -24.160 1.00 0.00 H new ATOM 0 HG2 GLU A 6 3.713 8.167 -25.534 1.00 0.00 H new ATOM 0 HG3 GLU A 6 4.110 9.679 -26.326 1.00 0.00 H new ATOM 99 N HIS A 7 2.686 11.057 -21.826 1.00 0.00 N ATOM 100 CA HIS A 7 3.029 11.817 -20.633 1.00 0.00 C ATOM 101 C HIS A 7 1.904 12.768 -20.263 1.00 0.00 C ATOM 102 O HIS A 7 1.652 13.748 -20.965 1.00 0.00 O ATOM 103 CB HIS A 7 4.323 12.616 -20.825 1.00 0.00 C ATOM 104 CG HIS A 7 5.557 11.776 -20.919 1.00 0.00 C ATOM 105 ND1 HIS A 7 6.190 11.239 -19.817 1.00 0.00 N ATOM 106 CD2 HIS A 7 6.279 11.379 -21.993 1.00 0.00 C ATOM 107 CE1 HIS A 7 7.243 10.552 -20.209 1.00 0.00 C ATOM 108 NE2 HIS A 7 7.321 10.620 -21.524 1.00 0.00 N ATOM 0 H HIS A 7 2.142 11.577 -22.515 1.00 0.00 H new ATOM 0 HA HIS A 7 3.181 11.099 -19.827 1.00 0.00 H new ATOM 0 HB2 HIS A 7 4.235 13.215 -21.732 1.00 0.00 H new ATOM 0 HB3 HIS A 7 4.434 13.312 -19.993 1.00 0.00 H new ATOM 0 HD2 HIS A 7 6.073 11.616 -23.026 1.00 0.00 H new ATOM 0 HE1 HIS A 7 7.927 10.022 -19.563 1.00 0.00 H new ATOM 0 HE2 HIS A 7 8.039 10.180 -22.099 1.00 0.00 H new ATOM 117 N PRO A 8 1.186 12.471 -19.175 1.00 0.00 N ATOM 118 CA PRO A 8 0.190 13.381 -18.613 1.00 0.00 C ATOM 119 C PRO A 8 0.859 14.592 -17.964 1.00 0.00 C ATOM 120 O PRO A 8 2.082 14.620 -17.795 1.00 0.00 O ATOM 121 CB PRO A 8 -0.543 12.530 -17.564 1.00 0.00 C ATOM 122 CG PRO A 8 -0.100 11.123 -17.804 1.00 0.00 C ATOM 123 CD PRO A 8 1.266 11.219 -18.415 1.00 0.00 C ATOM 0 HA PRO A 8 -0.483 13.783 -19.370 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -0.292 12.853 -16.553 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -1.624 12.624 -17.670 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -0.072 10.558 -16.872 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -0.790 10.605 -18.470 1.00 0.00 H new ATOM 0 HD2 PRO A 8 2.048 11.254 -17.657 1.00 0.00 H new ATOM 0 HD3 PRO A 8 1.484 10.367 -19.059 1.00 0.00 H new ATOM 131 N ASP A 9 0.065 15.585 -17.597 1.00 0.00 N ATOM 132 CA ASP A 9 0.600 16.824 -17.041 1.00 0.00 C ATOM 133 C ASP A 9 1.019 16.636 -15.588 1.00 0.00 C ATOM 134 O ASP A 9 0.178 16.651 -14.693 1.00 0.00 O ATOM 135 CB ASP A 9 -0.433 17.945 -17.148 1.00 0.00 C ATOM 136 CG ASP A 9 0.134 19.294 -16.758 1.00 0.00 C ATOM 137 OD1 ASP A 9 0.910 19.864 -17.552 1.00 0.00 O ATOM 138 OD2 ASP A 9 -0.200 19.798 -15.665 1.00 0.00 O ATOM 0 H ASP A 9 -0.952 15.560 -17.673 1.00 0.00 H new ATOM 0 HA ASP A 9 1.483 17.098 -17.619 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -0.807 17.994 -18.171 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -1.284 17.713 -16.508 1.00 0.00 H new ATOM 143 N TYR A 10 2.322 16.454 -15.374 1.00 0.00 N ATOM 144 CA TYR A 10 2.892 16.233 -14.040 1.00 0.00 C ATOM 145 C TYR A 10 2.388 14.943 -13.402 1.00 0.00 C ATOM 146 O TYR A 10 1.249 14.854 -12.943 1.00 0.00 O ATOM 147 CB TYR A 10 2.631 17.423 -13.115 1.00 0.00 C ATOM 148 CG TYR A 10 3.754 18.431 -13.112 1.00 0.00 C ATOM 149 CD1 TYR A 10 4.829 18.287 -12.245 1.00 0.00 C ATOM 150 CD2 TYR A 10 3.747 19.520 -13.973 1.00 0.00 C ATOM 151 CE1 TYR A 10 5.864 19.199 -12.235 1.00 0.00 C ATOM 152 CE2 TYR A 10 4.780 20.437 -13.968 1.00 0.00 C ATOM 153 CZ TYR A 10 5.835 20.272 -13.096 1.00 0.00 C ATOM 154 OH TYR A 10 6.866 21.185 -13.085 1.00 0.00 O ATOM 0 H TYR A 10 3.016 16.455 -16.121 1.00 0.00 H new ATOM 0 HA TYR A 10 3.969 16.133 -14.178 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.709 17.917 -13.421 1.00 0.00 H new ATOM 0 HB3 TYR A 10 2.476 17.058 -12.100 1.00 0.00 H new ATOM 0 HD1 TYR A 10 4.855 17.447 -11.567 1.00 0.00 H new ATOM 0 HD2 TYR A 10 2.922 19.652 -14.657 1.00 0.00 H new ATOM 0 HE1 TYR A 10 6.693 19.071 -11.555 1.00 0.00 H new ATOM 0 HE2 TYR A 10 4.761 21.279 -14.644 1.00 0.00 H new ATOM 0 HH TYR A 10 6.694 21.881 -13.753 1.00 0.00 H new ATOM 164 N THR A 11 3.258 13.949 -13.371 1.00 0.00 N ATOM 165 CA THR A 11 2.934 12.659 -12.793 1.00 0.00 C ATOM 166 C THR A 11 2.812 12.749 -11.275 1.00 0.00 C ATOM 167 O THR A 11 3.668 13.339 -10.609 1.00 0.00 O ATOM 168 CB THR A 11 4.012 11.622 -13.165 1.00 0.00 C ATOM 169 OG1 THR A 11 4.198 11.614 -14.586 1.00 0.00 O ATOM 170 CG2 THR A 11 3.625 10.227 -12.694 1.00 0.00 C ATOM 0 H THR A 11 4.205 14.014 -13.744 1.00 0.00 H new ATOM 0 HA THR A 11 1.972 12.344 -13.198 1.00 0.00 H new ATOM 0 HB THR A 11 4.941 11.903 -12.668 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.885 10.956 -14.822 1.00 0.00 H new ATOM 0 HG21 THR A 11 4.406 9.519 -12.972 1.00 0.00 H new ATOM 0 HG22 THR A 11 3.506 10.229 -11.611 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.686 9.933 -13.162 1.00 0.00 H new ATOM 178 N TYR A 12 1.735 12.188 -10.736 1.00 0.00 N ATOM 179 CA TYR A 12 1.583 12.075 -9.294 1.00 0.00 C ATOM 180 C TYR A 12 2.544 11.021 -8.762 1.00 0.00 C ATOM 181 O TYR A 12 2.193 9.849 -8.634 1.00 0.00 O ATOM 182 CB TYR A 12 0.145 11.715 -8.910 1.00 0.00 C ATOM 183 CG TYR A 12 -0.830 12.869 -8.986 1.00 0.00 C ATOM 184 CD1 TYR A 12 -1.315 13.326 -10.206 1.00 0.00 C ATOM 185 CD2 TYR A 12 -1.270 13.501 -7.829 1.00 0.00 C ATOM 186 CE1 TYR A 12 -2.212 14.377 -10.268 1.00 0.00 C ATOM 187 CE2 TYR A 12 -2.168 14.549 -7.883 1.00 0.00 C ATOM 188 CZ TYR A 12 -2.635 14.985 -9.104 1.00 0.00 C ATOM 189 OH TYR A 12 -3.530 16.030 -9.158 1.00 0.00 O ATOM 0 H TYR A 12 0.958 11.806 -11.276 1.00 0.00 H new ATOM 0 HA TYR A 12 1.814 13.043 -8.849 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -0.204 10.917 -9.565 1.00 0.00 H new ATOM 0 HB3 TYR A 12 0.141 11.319 -7.895 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -0.986 12.853 -11.120 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -0.903 13.166 -6.870 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -2.580 14.720 -11.224 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -2.503 15.024 -6.973 1.00 0.00 H new ATOM 0 HH TYR A 12 -3.723 16.342 -8.249 1.00 0.00 H new ATOM 199 N ALA A 13 3.769 11.439 -8.500 1.00 0.00 N ATOM 200 CA ALA A 13 4.800 10.529 -8.045 1.00 0.00 C ATOM 201 C ALA A 13 5.218 10.845 -6.619 1.00 0.00 C ATOM 202 O ALA A 13 5.126 11.991 -6.168 1.00 0.00 O ATOM 203 CB ALA A 13 6.002 10.585 -8.977 1.00 0.00 C ATOM 0 H ALA A 13 4.073 12.408 -8.596 1.00 0.00 H new ATOM 0 HA ALA A 13 4.391 9.519 -8.059 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.769 9.896 -8.623 1.00 0.00 H new ATOM 0 HB2 ALA A 13 5.695 10.301 -9.984 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.403 11.598 -8.993 1.00 0.00 H new ATOM 209 N LEU A 14 5.668 9.820 -5.916 1.00 0.00 N ATOM 210 CA LEU A 14 6.154 9.973 -4.558 1.00 0.00 C ATOM 211 C LEU A 14 7.449 10.776 -4.561 1.00 0.00 C ATOM 212 O LEU A 14 8.278 10.627 -5.459 1.00 0.00 O ATOM 213 CB LEU A 14 6.381 8.596 -3.933 1.00 0.00 C ATOM 214 CG LEU A 14 6.771 8.594 -2.456 1.00 0.00 C ATOM 215 CD1 LEU A 14 5.656 9.179 -1.602 1.00 0.00 C ATOM 216 CD2 LEU A 14 7.100 7.180 -2.010 1.00 0.00 C ATOM 0 H LEU A 14 5.706 8.864 -6.269 1.00 0.00 H new ATOM 0 HA LEU A 14 5.412 10.509 -3.966 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.469 8.010 -4.050 1.00 0.00 H new ATOM 0 HB3 LEU A 14 7.162 8.086 -4.497 1.00 0.00 H new ATOM 0 HG LEU A 14 7.655 9.219 -2.328 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.956 9.167 -0.554 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.461 10.206 -1.912 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.751 8.584 -1.727 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.377 7.186 -0.956 1.00 0.00 H new ATOM 0 HD22 LEU A 14 6.228 6.541 -2.152 1.00 0.00 H new ATOM 0 HD23 LEU A 14 7.931 6.796 -2.601 1.00 0.00 H new ATOM 228 N ARG A 15 7.615 11.635 -3.570 1.00 0.00 N ATOM 229 CA ARG A 15 8.801 12.469 -3.492 1.00 0.00 C ATOM 230 C ARG A 15 9.797 11.859 -2.519 1.00 0.00 C ATOM 231 O ARG A 15 10.936 11.566 -2.880 1.00 0.00 O ATOM 232 CB ARG A 15 8.423 13.881 -3.045 1.00 0.00 C ATOM 233 CG ARG A 15 9.218 14.973 -3.733 1.00 0.00 C ATOM 234 CD ARG A 15 9.087 14.864 -5.241 1.00 0.00 C ATOM 235 NE ARG A 15 9.308 16.140 -5.908 1.00 0.00 N ATOM 236 CZ ARG A 15 8.985 16.374 -7.178 1.00 0.00 C ATOM 237 NH1 ARG A 15 8.557 15.380 -7.950 1.00 0.00 N ATOM 238 NH2 ARG A 15 9.115 17.596 -7.681 1.00 0.00 N ATOM 0 H ARG A 15 6.947 11.773 -2.812 1.00 0.00 H new ATOM 0 HA ARG A 15 9.260 12.527 -4.479 1.00 0.00 H new ATOM 0 HB2 ARG A 15 7.362 14.041 -3.237 1.00 0.00 H new ATOM 0 HB3 ARG A 15 8.568 13.962 -1.968 1.00 0.00 H new ATOM 0 HG2 ARG A 15 8.865 15.950 -3.402 1.00 0.00 H new ATOM 0 HG3 ARG A 15 10.268 14.900 -3.448 1.00 0.00 H new ATOM 0 HD2 ARG A 15 9.804 14.132 -5.614 1.00 0.00 H new ATOM 0 HD3 ARG A 15 8.093 14.493 -5.491 1.00 0.00 H new ATOM 0 HE ARG A 15 9.734 16.896 -5.372 1.00 0.00 H new ATOM 0 HH11 ARG A 15 8.476 14.437 -7.569 1.00 0.00 H new ATOM 0 HH12 ARG A 15 8.310 15.560 -8.923 1.00 0.00 H new ATOM 0 HH21 ARG A 15 9.462 18.355 -7.094 1.00 0.00 H new ATOM 0 HH22 ARG A 15 8.868 17.776 -8.654 1.00 0.00 H new ATOM 252 N ALA A 16 9.345 11.653 -1.289 1.00 0.00 N ATOM 253 CA ALA A 16 10.172 11.074 -0.243 1.00 0.00 C ATOM 254 C ALA A 16 9.312 10.698 0.953 1.00 0.00 C ATOM 255 O ALA A 16 8.118 11.004 0.991 1.00 0.00 O ATOM 256 CB ALA A 16 11.265 12.049 0.181 1.00 0.00 C ATOM 0 H ALA A 16 8.397 11.882 -0.991 1.00 0.00 H new ATOM 0 HA ALA A 16 10.647 10.175 -0.636 1.00 0.00 H new ATOM 0 HB1 ALA A 16 11.873 11.596 0.965 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.895 12.284 -0.677 1.00 0.00 H new ATOM 0 HB3 ALA A 16 10.809 12.964 0.559 1.00 0.00 H new ATOM 262 N ALA A 17 9.914 10.030 1.920 1.00 0.00 N ATOM 263 CA ALA A 17 9.230 9.697 3.155 1.00 0.00 C ATOM 264 C ALA A 17 9.849 10.464 4.305 1.00 0.00 C ATOM 265 O ALA A 17 11.065 10.438 4.492 1.00 0.00 O ATOM 266 CB ALA A 17 9.294 8.208 3.415 1.00 0.00 C ATOM 0 H ALA A 17 10.880 9.706 1.873 1.00 0.00 H new ATOM 0 HA ALA A 17 8.181 9.979 3.064 1.00 0.00 H new ATOM 0 HB1 ALA A 17 8.775 7.979 4.346 1.00 0.00 H new ATOM 0 HB2 ALA A 17 8.817 7.674 2.593 1.00 0.00 H new ATOM 0 HB3 ALA A 17 10.336 7.897 3.494 1.00 0.00 H new ATOM 272 N ASP A 18 9.023 11.146 5.072 1.00 0.00 N ATOM 273 CA ASP A 18 9.526 12.029 6.113 1.00 0.00 C ATOM 274 C ASP A 18 9.500 11.331 7.466 1.00 0.00 C ATOM 275 O ASP A 18 10.125 11.781 8.426 1.00 0.00 O ATOM 276 CB ASP A 18 8.686 13.311 6.144 1.00 0.00 C ATOM 277 CG ASP A 18 9.338 14.441 6.919 1.00 0.00 C ATOM 278 OD1 ASP A 18 10.142 15.188 6.317 1.00 0.00 O ATOM 279 OD2 ASP A 18 9.022 14.608 8.115 1.00 0.00 O ATOM 0 H ASP A 18 8.006 11.109 4.998 1.00 0.00 H new ATOM 0 HA ASP A 18 10.561 12.289 5.893 1.00 0.00 H new ATOM 0 HB2 ASP A 18 8.502 13.641 5.121 1.00 0.00 H new ATOM 0 HB3 ASP A 18 7.715 13.090 6.587 1.00 0.00 H new ATOM 284 N GLY A 19 8.802 10.205 7.529 1.00 0.00 N ATOM 285 CA GLY A 19 8.643 9.507 8.786 1.00 0.00 C ATOM 286 C GLY A 19 7.545 10.132 9.613 1.00 0.00 C ATOM 287 O GLY A 19 7.684 11.264 10.073 1.00 0.00 O ATOM 0 H GLY A 19 8.344 9.764 6.732 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.411 8.459 8.598 1.00 0.00 H new ATOM 0 HA3 GLY A 19 9.581 9.531 9.341 1.00 0.00 H new ATOM 291 N ARG A 20 6.445 9.398 9.781 1.00 0.00 N ATOM 292 CA ARG A 20 5.227 9.928 10.398 1.00 0.00 C ATOM 293 C ARG A 20 4.609 11.000 9.502 1.00 0.00 C ATOM 294 O ARG A 20 3.654 11.679 9.881 1.00 0.00 O ATOM 295 CB ARG A 20 5.524 10.476 11.799 1.00 0.00 C ATOM 296 CG ARG A 20 5.971 9.401 12.776 1.00 0.00 C ATOM 297 CD ARG A 20 6.603 9.987 14.030 1.00 0.00 C ATOM 298 NE ARG A 20 5.714 10.919 14.722 1.00 0.00 N ATOM 299 CZ ARG A 20 4.799 10.554 15.621 1.00 0.00 C ATOM 300 NH1 ARG A 20 4.598 9.270 15.898 1.00 0.00 N ATOM 301 NH2 ARG A 20 4.081 11.476 16.245 1.00 0.00 N ATOM 0 H ARG A 20 6.372 8.422 9.494 1.00 0.00 H new ATOM 0 HA ARG A 20 4.506 9.118 10.507 1.00 0.00 H new ATOM 0 HB2 ARG A 20 6.299 11.239 11.728 1.00 0.00 H new ATOM 0 HB3 ARG A 20 4.631 10.964 12.189 1.00 0.00 H new ATOM 0 HG2 ARG A 20 5.114 8.789 13.056 1.00 0.00 H new ATOM 0 HG3 ARG A 20 6.687 8.742 12.285 1.00 0.00 H new ATOM 0 HD2 ARG A 20 6.875 9.178 14.708 1.00 0.00 H new ATOM 0 HD3 ARG A 20 7.526 10.501 13.762 1.00 0.00 H new ATOM 0 HE ARG A 20 5.799 11.912 14.503 1.00 0.00 H new ATOM 0 HH11 ARG A 20 5.146 8.554 15.421 1.00 0.00 H new ATOM 0 HH12 ARG A 20 3.896 9.001 16.587 1.00 0.00 H new ATOM 0 HH21 ARG A 20 4.228 12.464 16.038 1.00 0.00 H new ATOM 0 HH22 ARG A 20 3.381 11.198 16.933 1.00 0.00 H new ATOM 315 N HIS A 21 5.169 11.126 8.303 1.00 0.00 N ATOM 316 CA HIS A 21 4.689 12.053 7.287 1.00 0.00 C ATOM 317 C HIS A 21 5.050 11.518 5.911 1.00 0.00 C ATOM 318 O HIS A 21 6.088 10.874 5.743 1.00 0.00 O ATOM 319 CB HIS A 21 5.302 13.449 7.461 1.00 0.00 C ATOM 320 CG HIS A 21 4.747 14.225 8.614 1.00 0.00 C ATOM 321 ND1 HIS A 21 5.481 14.559 9.731 1.00 0.00 N ATOM 322 CD2 HIS A 21 3.514 14.740 8.811 1.00 0.00 C ATOM 323 CE1 HIS A 21 4.719 15.242 10.565 1.00 0.00 C ATOM 324 NE2 HIS A 21 3.519 15.367 10.029 1.00 0.00 N ATOM 0 H HIS A 21 5.978 10.580 8.007 1.00 0.00 H new ATOM 0 HA HIS A 21 3.608 12.141 7.393 1.00 0.00 H new ATOM 0 HB2 HIS A 21 6.379 13.346 7.592 1.00 0.00 H new ATOM 0 HB3 HIS A 21 5.145 14.019 6.545 1.00 0.00 H new ATOM 0 HD2 HIS A 21 2.677 14.670 8.132 1.00 0.00 H new ATOM 0 HE1 HIS A 21 5.026 15.633 11.524 1.00 0.00 H new ATOM 0 HE2 HIS A 21 2.727 15.850 10.452 1.00 0.00 H new ATOM 333 N ALA A 22 4.204 11.788 4.936 1.00 0.00 N ATOM 334 CA ALA A 22 4.448 11.343 3.574 1.00 0.00 C ATOM 335 C ALA A 22 4.576 12.542 2.649 1.00 0.00 C ATOM 336 O ALA A 22 3.782 13.476 2.721 1.00 0.00 O ATOM 337 CB ALA A 22 3.333 10.424 3.104 1.00 0.00 C ATOM 0 H ALA A 22 3.339 12.314 5.060 1.00 0.00 H new ATOM 0 HA ALA A 22 5.383 10.782 3.552 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.534 10.101 2.082 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.281 9.552 3.756 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.383 10.958 3.136 1.00 0.00 H new ATOM 343 N LYS A 23 5.583 12.516 1.794 1.00 0.00 N ATOM 344 CA LYS A 23 5.857 13.633 0.907 1.00 0.00 C ATOM 345 C LYS A 23 5.551 13.238 -0.534 1.00 0.00 C ATOM 346 O LYS A 23 6.343 12.550 -1.181 1.00 0.00 O ATOM 347 CB LYS A 23 7.325 14.049 1.054 1.00 0.00 C ATOM 348 CG LYS A 23 7.624 15.477 0.631 1.00 0.00 C ATOM 349 CD LYS A 23 9.102 15.790 0.813 1.00 0.00 C ATOM 350 CE LYS A 23 9.389 17.280 0.707 1.00 0.00 C ATOM 351 NZ LYS A 23 8.743 18.052 1.802 1.00 0.00 N ATOM 0 H LYS A 23 6.227 11.731 1.695 1.00 0.00 H new ATOM 0 HA LYS A 23 5.222 14.478 1.173 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.622 13.923 2.095 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.942 13.372 0.462 1.00 0.00 H new ATOM 0 HG2 LYS A 23 7.342 15.620 -0.412 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.024 16.170 1.221 1.00 0.00 H new ATOM 0 HD2 LYS A 23 9.432 15.426 1.786 1.00 0.00 H new ATOM 0 HD3 LYS A 23 9.681 15.255 0.060 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.466 17.444 0.734 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.034 17.650 -0.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.193 18.986 1.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.731 18.172 1.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.852 17.538 2.700 1.00 0.00 H new ATOM 365 N VAL A 24 4.387 13.642 -1.019 1.00 0.00 N ATOM 366 CA VAL A 24 3.970 13.315 -2.376 1.00 0.00 C ATOM 367 C VAL A 24 3.941 14.572 -3.235 1.00 0.00 C ATOM 368 O VAL A 24 3.144 15.478 -2.986 1.00 0.00 O ATOM 369 CB VAL A 24 2.579 12.643 -2.401 1.00 0.00 C ATOM 370 CG1 VAL A 24 2.193 12.246 -3.820 1.00 0.00 C ATOM 371 CG2 VAL A 24 2.549 11.432 -1.480 1.00 0.00 C ATOM 0 H VAL A 24 3.713 14.198 -0.493 1.00 0.00 H new ATOM 0 HA VAL A 24 4.696 12.609 -2.779 1.00 0.00 H new ATOM 0 HB VAL A 24 1.849 13.367 -2.040 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.210 11.775 -3.811 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.164 13.134 -4.451 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.928 11.544 -4.214 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.560 10.974 -1.513 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.295 10.708 -1.807 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.770 11.745 -0.460 1.00 0.00 H new ATOM 381 N ASN A 25 4.816 14.611 -4.240 1.00 0.00 N ATOM 382 CA ASN A 25 4.986 15.783 -5.105 1.00 0.00 C ATOM 383 C ASN A 25 5.463 16.986 -4.284 1.00 0.00 C ATOM 384 O ASN A 25 6.660 17.247 -4.193 1.00 0.00 O ATOM 385 CB ASN A 25 3.682 16.109 -5.860 1.00 0.00 C ATOM 386 CG ASN A 25 3.855 17.174 -6.933 1.00 0.00 C ATOM 387 OD1 ASN A 25 4.720 18.041 -6.845 1.00 0.00 O ATOM 388 ND2 ASN A 25 3.020 17.116 -7.961 1.00 0.00 N ATOM 0 H ASN A 25 5.428 13.831 -4.479 1.00 0.00 H new ATOM 0 HA ASN A 25 5.748 15.552 -5.850 1.00 0.00 H new ATOM 0 HB2 ASN A 25 3.300 15.198 -6.321 1.00 0.00 H new ATOM 0 HB3 ASN A 25 2.931 16.443 -5.145 1.00 0.00 H new ATOM 0 HD21 ASN A 25 3.085 17.805 -8.710 1.00 0.00 H new ATOM 0 HD22 ASN A 25 2.313 16.382 -8.003 1.00 0.00 H new ATOM 395 N GLU A 26 4.528 17.694 -3.668 1.00 0.00 N ATOM 396 CA GLU A 26 4.853 18.829 -2.813 1.00 0.00 C ATOM 397 C GLU A 26 4.024 18.794 -1.532 1.00 0.00 C ATOM 398 O GLU A 26 4.211 19.615 -0.634 1.00 0.00 O ATOM 399 CB GLU A 26 4.582 20.143 -3.545 1.00 0.00 C ATOM 400 CG GLU A 26 3.152 20.259 -4.050 1.00 0.00 C ATOM 401 CD GLU A 26 2.745 21.685 -4.335 1.00 0.00 C ATOM 402 OE1 GLU A 26 3.205 22.252 -5.343 1.00 0.00 O ATOM 403 OE2 GLU A 26 1.952 22.244 -3.549 1.00 0.00 O ATOM 0 H GLU A 26 3.529 17.501 -3.745 1.00 0.00 H new ATOM 0 HA GLU A 26 5.911 18.764 -2.559 1.00 0.00 H new ATOM 0 HB2 GLU A 26 4.793 20.976 -2.875 1.00 0.00 H new ATOM 0 HB3 GLU A 26 5.267 20.231 -4.388 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.043 19.667 -4.959 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.475 19.834 -3.309 1.00 0.00 H new ATOM 410 N GLN A 27 3.117 17.831 -1.448 1.00 0.00 N ATOM 411 CA GLN A 27 2.133 17.811 -0.383 1.00 0.00 C ATOM 412 C GLN A 27 2.530 16.830 0.708 1.00 0.00 C ATOM 413 O GLN A 27 2.857 15.673 0.431 1.00 0.00 O ATOM 414 CB GLN A 27 0.756 17.445 -0.945 1.00 0.00 C ATOM 415 CG GLN A 27 0.339 18.300 -2.133 1.00 0.00 C ATOM 416 CD GLN A 27 -1.048 17.964 -2.649 1.00 0.00 C ATOM 417 OE1 GLN A 27 -1.520 16.832 -2.525 1.00 0.00 O ATOM 418 NE2 GLN A 27 -1.703 18.945 -3.245 1.00 0.00 N ATOM 0 H GLN A 27 3.045 17.055 -2.106 1.00 0.00 H new ATOM 0 HA GLN A 27 2.086 18.808 0.056 1.00 0.00 H new ATOM 0 HB2 GLN A 27 0.762 16.397 -1.246 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.011 17.546 -0.155 1.00 0.00 H new ATOM 0 HG2 GLN A 27 0.369 19.351 -1.845 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.062 18.170 -2.939 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -1.276 19.868 -3.327 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -2.636 18.779 -3.623 1.00 0.00 H new ATOM 427 N ILE A 28 2.519 17.306 1.942 1.00 0.00 N ATOM 428 CA ILE A 28 2.774 16.452 3.085 1.00 0.00 C ATOM 429 C ILE A 28 1.470 15.820 3.549 1.00 0.00 C ATOM 430 O ILE A 28 0.586 16.504 4.070 1.00 0.00 O ATOM 431 CB ILE A 28 3.419 17.227 4.254 1.00 0.00 C ATOM 432 CG1 ILE A 28 4.733 17.871 3.805 1.00 0.00 C ATOM 433 CG2 ILE A 28 3.656 16.301 5.440 1.00 0.00 C ATOM 434 CD1 ILE A 28 5.415 18.688 4.885 1.00 0.00 C ATOM 0 H ILE A 28 2.336 18.282 2.176 1.00 0.00 H new ATOM 0 HA ILE A 28 3.477 15.680 2.772 1.00 0.00 H new ATOM 0 HB ILE A 28 2.736 18.017 4.566 1.00 0.00 H new ATOM 0 HG12 ILE A 28 5.414 17.089 3.470 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.537 18.513 2.946 1.00 0.00 H new ATOM 0 HG21 ILE A 28 4.111 16.863 6.255 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.705 15.885 5.773 1.00 0.00 H new ATOM 0 HG23 ILE A 28 4.322 15.491 5.142 1.00 0.00 H new ATOM 0 HD11 ILE A 28 6.339 19.112 4.492 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.753 19.493 5.205 1.00 0.00 H new ATOM 0 HD13 ILE A 28 5.644 18.047 5.736 1.00 0.00 H new ATOM 446 N LEU A 29 1.346 14.524 3.332 1.00 0.00 N ATOM 447 CA LEU A 29 0.131 13.810 3.672 1.00 0.00 C ATOM 448 C LEU A 29 0.245 13.169 5.047 1.00 0.00 C ATOM 449 O LEU A 29 1.308 12.668 5.428 1.00 0.00 O ATOM 450 CB LEU A 29 -0.181 12.746 2.616 1.00 0.00 C ATOM 451 CG LEU A 29 -0.445 13.286 1.208 1.00 0.00 C ATOM 452 CD1 LEU A 29 -0.737 12.145 0.246 1.00 0.00 C ATOM 453 CD2 LEU A 29 -1.601 14.276 1.223 1.00 0.00 C ATOM 0 H LEU A 29 2.076 13.943 2.920 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.687 14.530 3.696 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.654 12.047 2.569 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.054 12.179 2.940 1.00 0.00 H new ATOM 0 HG LEU A 29 0.450 13.806 0.867 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.922 12.547 -0.750 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.118 11.470 0.212 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.617 11.599 0.586 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.774 14.649 0.213 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.501 13.779 1.585 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.357 15.110 1.881 1.00 0.00 H new ATOM 465 N GLN A 30 -0.850 13.221 5.789 1.00 0.00 N ATOM 466 CA GLN A 30 -0.947 12.600 7.102 1.00 0.00 C ATOM 467 C GLN A 30 -2.196 11.731 7.139 1.00 0.00 C ATOM 468 O GLN A 30 -2.802 11.516 8.188 1.00 0.00 O ATOM 469 CB GLN A 30 -1.015 13.671 8.195 1.00 0.00 C ATOM 470 CG GLN A 30 0.114 14.685 8.122 1.00 0.00 C ATOM 471 CD GLN A 30 0.064 15.703 9.243 1.00 0.00 C ATOM 472 OE1 GLN A 30 0.671 15.512 10.298 1.00 0.00 O ATOM 473 NE2 GLN A 30 -0.660 16.789 9.023 1.00 0.00 N ATOM 0 H GLN A 30 -1.702 13.698 5.496 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.064 11.987 7.283 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.968 14.195 8.121 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -0.994 13.185 9.170 1.00 0.00 H new ATOM 0 HG2 GLN A 30 1.069 14.161 8.156 1.00 0.00 H new ATOM 0 HG3 GLN A 30 0.069 15.204 7.164 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -1.146 16.906 8.134 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -0.731 17.509 9.742 1.00 0.00 H new ATOM 482 N GLN A 31 -2.566 11.238 5.967 1.00 0.00 N ATOM 483 CA GLN A 31 -3.775 10.452 5.796 1.00 0.00 C ATOM 484 C GLN A 31 -3.445 9.064 5.271 1.00 0.00 C ATOM 485 O GLN A 31 -2.308 8.787 4.885 1.00 0.00 O ATOM 486 CB GLN A 31 -4.716 11.155 4.812 1.00 0.00 C ATOM 487 CG GLN A 31 -5.372 12.405 5.371 1.00 0.00 C ATOM 488 CD GLN A 31 -6.552 12.090 6.267 1.00 0.00 C ATOM 489 OE1 GLN A 31 -6.828 12.809 7.225 1.00 0.00 O ATOM 490 NE2 GLN A 31 -7.273 11.025 5.943 1.00 0.00 N ATOM 0 H GLN A 31 -2.034 11.373 5.107 1.00 0.00 H new ATOM 0 HA GLN A 31 -4.261 10.355 6.767 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -4.155 11.421 3.916 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -5.493 10.455 4.505 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -4.635 12.977 5.934 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -5.704 13.037 4.547 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.008 10.455 5.139 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -8.092 10.776 6.497 1.00 0.00 H new ATOM 499 N SER A 32 -4.440 8.195 5.269 1.00 0.00 N ATOM 500 CA SER A 32 -4.324 6.900 4.631 1.00 0.00 C ATOM 501 C SER A 32 -4.586 7.061 3.141 1.00 0.00 C ATOM 502 O SER A 32 -5.665 7.510 2.746 1.00 0.00 O ATOM 503 CB SER A 32 -5.335 5.932 5.240 1.00 0.00 C ATOM 504 OG SER A 32 -5.322 6.009 6.655 1.00 0.00 O ATOM 0 H SER A 32 -5.345 8.367 5.707 1.00 0.00 H new ATOM 0 HA SER A 32 -3.322 6.499 4.784 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.334 6.162 4.869 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.105 4.914 4.925 1.00 0.00 H new ATOM 0 HG SER A 32 -6.032 5.440 7.020 1.00 0.00 H new ATOM 510 N PHE A 33 -3.609 6.728 2.314 1.00 0.00 N ATOM 511 CA PHE A 33 -3.759 6.905 0.880 1.00 0.00 C ATOM 512 C PHE A 33 -3.179 5.727 0.110 1.00 0.00 C ATOM 513 O PHE A 33 -2.326 4.992 0.612 1.00 0.00 O ATOM 514 CB PHE A 33 -3.102 8.214 0.423 1.00 0.00 C ATOM 515 CG PHE A 33 -1.609 8.255 0.599 1.00 0.00 C ATOM 516 CD1 PHE A 33 -1.052 8.649 1.803 1.00 0.00 C ATOM 517 CD2 PHE A 33 -0.767 7.906 -0.445 1.00 0.00 C ATOM 518 CE1 PHE A 33 0.318 8.693 1.964 1.00 0.00 C ATOM 519 CE2 PHE A 33 0.605 7.949 -0.289 1.00 0.00 C ATOM 520 CZ PHE A 33 1.146 8.343 0.917 1.00 0.00 C ATOM 0 H PHE A 33 -2.713 6.338 2.607 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.827 6.955 0.665 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.336 8.376 -0.629 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.544 9.041 0.978 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.696 8.925 2.625 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.188 7.597 -1.390 1.00 0.00 H new ATOM 0 HE1 PHE A 33 0.742 9.001 2.908 1.00 0.00 H new ATOM 0 HE2 PHE A 33 1.252 7.675 -1.109 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.218 8.378 1.042 1.00 0.00 H new ATOM 530 N ILE A 34 -3.658 5.563 -1.112 1.00 0.00 N ATOM 531 CA ILE A 34 -3.190 4.512 -1.999 1.00 0.00 C ATOM 532 C ILE A 34 -2.544 5.137 -3.229 1.00 0.00 C ATOM 533 O ILE A 34 -3.212 5.813 -4.014 1.00 0.00 O ATOM 534 CB ILE A 34 -4.350 3.600 -2.452 1.00 0.00 C ATOM 535 CG1 ILE A 34 -5.127 3.082 -1.239 1.00 0.00 C ATOM 536 CG2 ILE A 34 -3.817 2.435 -3.278 1.00 0.00 C ATOM 537 CD1 ILE A 34 -6.393 2.338 -1.602 1.00 0.00 C ATOM 0 H ILE A 34 -4.383 6.155 -1.517 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.466 3.907 -1.453 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.028 4.185 -3.073 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.481 2.422 -0.660 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.382 3.924 -0.595 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.647 1.801 -3.590 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.302 2.819 -4.159 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.120 1.851 -2.676 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.890 2.001 -0.693 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -7.059 3.001 -2.155 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.144 1.476 -2.220 1.00 0.00 H new ATOM 549 N LEU A 35 -1.250 4.929 -3.385 1.00 0.00 N ATOM 550 CA LEU A 35 -0.525 5.504 -4.504 1.00 0.00 C ATOM 551 C LEU A 35 -0.205 4.443 -5.548 1.00 0.00 C ATOM 552 O LEU A 35 0.401 3.413 -5.247 1.00 0.00 O ATOM 553 CB LEU A 35 0.762 6.180 -4.021 1.00 0.00 C ATOM 554 CG LEU A 35 1.646 6.777 -5.122 1.00 0.00 C ATOM 555 CD1 LEU A 35 0.884 7.825 -5.922 1.00 0.00 C ATOM 556 CD2 LEU A 35 2.902 7.385 -4.524 1.00 0.00 C ATOM 0 H LEU A 35 -0.680 4.367 -2.753 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.162 6.258 -4.967 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.495 6.974 -3.323 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.349 5.449 -3.464 1.00 0.00 H new ATOM 0 HG LEU A 35 1.934 5.972 -5.798 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.533 8.234 -6.697 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.011 7.365 -6.385 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.563 8.627 -5.258 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.518 7.804 -5.320 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.627 8.174 -3.824 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.465 6.614 -3.998 1.00 0.00 H new ATOM 568 N MET A 36 -0.655 4.694 -6.764 1.00 0.00 N ATOM 569 CA MET A 36 -0.317 3.874 -7.913 1.00 0.00 C ATOM 570 C MET A 36 0.302 4.772 -8.978 1.00 0.00 C ATOM 571 O MET A 36 0.191 5.990 -8.876 1.00 0.00 O ATOM 572 CB MET A 36 -1.561 3.163 -8.463 1.00 0.00 C ATOM 573 CG MET A 36 -2.100 2.076 -7.545 1.00 0.00 C ATOM 574 SD MET A 36 -3.450 1.142 -8.295 1.00 0.00 S ATOM 575 CE MET A 36 -3.807 -0.034 -6.993 1.00 0.00 C ATOM 0 H MET A 36 -1.269 5.478 -6.983 1.00 0.00 H new ATOM 0 HA MET A 36 0.394 3.103 -7.617 1.00 0.00 H new ATOM 0 HB2 MET A 36 -2.344 3.901 -8.636 1.00 0.00 H new ATOM 0 HB3 MET A 36 -1.319 2.722 -9.430 1.00 0.00 H new ATOM 0 HG2 MET A 36 -1.292 1.393 -7.283 1.00 0.00 H new ATOM 0 HG3 MET A 36 -2.448 2.529 -6.617 1.00 0.00 H new ATOM 0 HE1 MET A 36 -4.845 -0.357 -7.069 1.00 0.00 H new ATOM 0 HE2 MET A 36 -3.150 -0.898 -7.093 1.00 0.00 H new ATOM 0 HE3 MET A 36 -3.643 0.436 -6.023 1.00 0.00 H new ATOM 585 N PRO A 37 0.990 4.195 -9.983 1.00 0.00 N ATOM 586 CA PRO A 37 1.621 4.964 -11.064 1.00 0.00 C ATOM 587 C PRO A 37 0.741 6.096 -11.602 1.00 0.00 C ATOM 588 O PRO A 37 -0.208 5.857 -12.356 1.00 0.00 O ATOM 589 CB PRO A 37 1.859 3.908 -12.141 1.00 0.00 C ATOM 590 CG PRO A 37 2.071 2.643 -11.382 1.00 0.00 C ATOM 591 CD PRO A 37 1.222 2.744 -10.140 1.00 0.00 C ATOM 0 HA PRO A 37 2.524 5.470 -10.723 1.00 0.00 H new ATOM 0 HB2 PRO A 37 1.006 3.829 -12.815 1.00 0.00 H new ATOM 0 HB3 PRO A 37 2.727 4.154 -12.753 1.00 0.00 H new ATOM 0 HG2 PRO A 37 1.783 1.778 -11.980 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.123 2.516 -11.124 1.00 0.00 H new ATOM 0 HD2 PRO A 37 0.284 2.200 -10.252 1.00 0.00 H new ATOM 0 HD3 PRO A 37 1.732 2.325 -9.273 1.00 0.00 H new ATOM 599 N ASP A 38 1.045 7.321 -11.155 1.00 0.00 N ATOM 600 CA ASP A 38 0.372 8.550 -11.603 1.00 0.00 C ATOM 601 C ASP A 38 -1.024 8.709 -10.985 1.00 0.00 C ATOM 602 O ASP A 38 -1.536 9.823 -10.869 1.00 0.00 O ATOM 603 CB ASP A 38 0.301 8.614 -13.137 1.00 0.00 C ATOM 604 CG ASP A 38 -0.388 9.867 -13.646 1.00 0.00 C ATOM 605 OD1 ASP A 38 0.190 10.968 -13.513 1.00 0.00 O ATOM 606 OD2 ASP A 38 -1.504 9.749 -14.195 1.00 0.00 O ATOM 0 H ASP A 38 1.775 7.490 -10.463 1.00 0.00 H new ATOM 0 HA ASP A 38 0.976 9.386 -11.251 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.311 8.570 -13.544 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.230 7.737 -13.508 1.00 0.00 H new ATOM 611 N GLU A 39 -1.630 7.609 -10.563 1.00 0.00 N ATOM 612 CA GLU A 39 -2.943 7.664 -9.934 1.00 0.00 C ATOM 613 C GLU A 39 -2.827 7.649 -8.416 1.00 0.00 C ATOM 614 O GLU A 39 -2.505 6.625 -7.809 1.00 0.00 O ATOM 615 CB GLU A 39 -3.833 6.513 -10.404 1.00 0.00 C ATOM 616 CG GLU A 39 -4.269 6.637 -11.853 1.00 0.00 C ATOM 617 CD GLU A 39 -5.447 5.745 -12.183 1.00 0.00 C ATOM 618 OE1 GLU A 39 -6.600 6.154 -11.906 1.00 0.00 O ATOM 619 OE2 GLU A 39 -5.233 4.644 -12.728 1.00 0.00 O ATOM 0 H GLU A 39 -1.237 6.671 -10.644 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.407 8.603 -10.237 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.297 5.573 -10.273 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.718 6.466 -9.769 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.533 7.674 -12.062 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -3.432 6.384 -12.504 1.00 0.00 H new ATOM 626 N LEU A 40 -3.090 8.793 -7.808 1.00 0.00 N ATOM 627 CA LEU A 40 -3.032 8.921 -6.362 1.00 0.00 C ATOM 628 C LEU A 40 -4.434 8.941 -5.771 1.00 0.00 C ATOM 629 O LEU A 40 -5.244 9.814 -6.097 1.00 0.00 O ATOM 630 CB LEU A 40 -2.283 10.199 -5.970 1.00 0.00 C ATOM 631 CG LEU A 40 -2.279 10.523 -4.471 1.00 0.00 C ATOM 632 CD1 LEU A 40 -1.560 9.439 -3.683 1.00 0.00 C ATOM 633 CD2 LEU A 40 -1.637 11.880 -4.221 1.00 0.00 C ATOM 0 H LEU A 40 -3.347 9.651 -8.296 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.496 8.060 -5.964 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.251 10.114 -6.309 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.726 11.039 -6.505 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.313 10.561 -4.129 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.571 9.692 -2.623 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.064 8.485 -3.833 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.529 9.362 -4.027 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.643 12.094 -3.152 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.609 11.868 -4.583 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.199 12.651 -4.748 1.00 0.00 H new ATOM 645 N VAL A 41 -4.722 7.968 -4.923 1.00 0.00 N ATOM 646 CA VAL A 41 -5.973 7.943 -4.186 1.00 0.00 C ATOM 647 C VAL A 41 -5.711 8.365 -2.747 1.00 0.00 C ATOM 648 O VAL A 41 -5.317 7.554 -1.912 1.00 0.00 O ATOM 649 CB VAL A 41 -6.632 6.546 -4.205 1.00 0.00 C ATOM 650 CG1 VAL A 41 -7.979 6.571 -3.493 1.00 0.00 C ATOM 651 CG2 VAL A 41 -6.791 6.044 -5.635 1.00 0.00 C ATOM 0 H VAL A 41 -4.103 7.182 -4.728 1.00 0.00 H new ATOM 0 HA VAL A 41 -6.662 8.636 -4.669 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.978 5.857 -3.671 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -8.423 5.576 -3.520 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.837 6.877 -2.457 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -8.642 7.278 -3.993 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.257 5.059 -5.625 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.418 6.737 -6.196 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -5.811 5.977 -6.108 1.00 0.00 H new ATOM 661 N GLU A 42 -5.912 9.642 -2.472 1.00 0.00 N ATOM 662 CA GLU A 42 -5.586 10.212 -1.170 1.00 0.00 C ATOM 663 C GLU A 42 -6.773 10.149 -0.216 1.00 0.00 C ATOM 664 O GLU A 42 -6.677 10.553 0.943 1.00 0.00 O ATOM 665 CB GLU A 42 -5.092 11.658 -1.328 1.00 0.00 C ATOM 666 CG GLU A 42 -5.566 12.351 -2.603 1.00 0.00 C ATOM 667 CD GLU A 42 -7.075 12.456 -2.710 1.00 0.00 C ATOM 668 OE1 GLU A 42 -7.644 13.438 -2.193 1.00 0.00 O ATOM 669 OE2 GLU A 42 -7.695 11.560 -3.324 1.00 0.00 O ATOM 0 H GLU A 42 -6.302 10.311 -3.136 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.786 9.613 -0.735 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.425 12.239 -0.468 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.002 11.661 -1.311 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.136 13.352 -2.644 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.186 11.805 -3.466 1.00 0.00 H new ATOM 676 N HIS A 43 -7.892 9.640 -0.702 1.00 0.00 N ATOM 677 CA HIS A 43 -9.073 9.488 0.130 1.00 0.00 C ATOM 678 C HIS A 43 -9.344 8.020 0.425 1.00 0.00 C ATOM 679 O HIS A 43 -10.082 7.353 -0.300 1.00 0.00 O ATOM 680 CB HIS A 43 -10.297 10.136 -0.523 1.00 0.00 C ATOM 681 CG HIS A 43 -10.282 11.634 -0.477 1.00 0.00 C ATOM 682 ND1 HIS A 43 -10.753 12.428 -1.501 1.00 0.00 N ATOM 683 CD2 HIS A 43 -9.873 12.484 0.496 1.00 0.00 C ATOM 684 CE1 HIS A 43 -10.636 13.698 -1.160 1.00 0.00 C ATOM 685 NE2 HIS A 43 -10.105 13.759 0.046 1.00 0.00 N ATOM 0 H HIS A 43 -8.008 9.326 -1.666 1.00 0.00 H new ATOM 0 HA HIS A 43 -8.880 10.000 1.073 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -10.356 9.814 -1.563 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -11.197 9.775 -0.025 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -9.444 12.209 1.448 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -10.926 14.544 -1.766 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -9.900 14.615 0.561 1.00 0.00 H new ATOM 694 N TRP A 44 -8.709 7.514 1.470 1.00 0.00 N ATOM 695 CA TRP A 44 -8.941 6.155 1.926 1.00 0.00 C ATOM 696 C TRP A 44 -9.373 6.185 3.391 1.00 0.00 C ATOM 697 O TRP A 44 -8.555 6.396 4.288 1.00 0.00 O ATOM 698 CB TRP A 44 -7.676 5.311 1.733 1.00 0.00 C ATOM 699 CG TRP A 44 -7.891 3.834 1.886 1.00 0.00 C ATOM 700 CD1 TRP A 44 -9.015 3.127 1.564 1.00 0.00 C ATOM 701 CD2 TRP A 44 -6.945 2.879 2.377 1.00 0.00 C ATOM 702 NE1 TRP A 44 -8.829 1.795 1.839 1.00 0.00 N ATOM 703 CE2 TRP A 44 -7.564 1.617 2.335 1.00 0.00 C ATOM 704 CE3 TRP A 44 -5.633 2.969 2.851 1.00 0.00 C ATOM 705 CZ2 TRP A 44 -6.917 0.455 2.750 1.00 0.00 C ATOM 706 CZ3 TRP A 44 -4.991 1.817 3.261 1.00 0.00 C ATOM 707 CH2 TRP A 44 -5.633 0.573 3.206 1.00 0.00 C ATOM 0 H TRP A 44 -8.024 8.030 2.022 1.00 0.00 H new ATOM 0 HA TRP A 44 -9.736 5.696 1.338 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -7.271 5.507 0.740 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -6.924 5.634 2.453 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -9.918 3.554 1.153 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -9.520 1.058 1.697 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -5.130 3.924 2.896 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -7.412 -0.504 2.713 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -3.978 1.876 3.630 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -5.103 -0.311 3.530 1.00 0.00 H new ATOM 718 N PRO A 45 -10.677 5.997 3.646 1.00 0.00 N ATOM 719 CA PRO A 45 -11.276 6.185 4.975 1.00 0.00 C ATOM 720 C PRO A 45 -11.022 5.022 5.940 1.00 0.00 C ATOM 721 O PRO A 45 -11.932 4.582 6.646 1.00 0.00 O ATOM 722 CB PRO A 45 -12.765 6.295 4.656 1.00 0.00 C ATOM 723 CG PRO A 45 -12.952 5.457 3.440 1.00 0.00 C ATOM 724 CD PRO A 45 -11.681 5.587 2.642 1.00 0.00 C ATOM 0 HA PRO A 45 -10.850 7.048 5.487 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -13.375 5.934 5.484 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -13.056 7.329 4.473 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -13.139 4.417 3.708 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -13.811 5.796 2.862 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -11.409 4.645 2.166 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -11.780 6.328 1.849 1.00 0.00 H new ATOM 732 N VAL A 46 -9.788 4.544 5.987 1.00 0.00 N ATOM 733 CA VAL A 46 -9.421 3.482 6.912 1.00 0.00 C ATOM 734 C VAL A 46 -8.458 4.013 7.973 1.00 0.00 C ATOM 735 O VAL A 46 -7.326 4.395 7.665 1.00 0.00 O ATOM 736 CB VAL A 46 -8.784 2.280 6.182 1.00 0.00 C ATOM 737 CG1 VAL A 46 -8.378 1.198 7.173 1.00 0.00 C ATOM 738 CG2 VAL A 46 -9.749 1.715 5.150 1.00 0.00 C ATOM 0 H VAL A 46 -9.024 4.874 5.397 1.00 0.00 H new ATOM 0 HA VAL A 46 -10.337 3.136 7.392 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.887 2.629 5.670 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.932 0.361 6.636 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -7.653 1.604 7.879 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -9.258 0.853 7.715 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -9.286 0.868 4.644 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -10.661 1.386 5.647 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -9.992 2.486 4.419 1.00 0.00 H new ATOM 748 N PRO A 47 -8.910 4.067 9.235 1.00 0.00 N ATOM 749 CA PRO A 47 -8.111 4.558 10.348 1.00 0.00 C ATOM 750 C PRO A 47 -7.212 3.472 10.933 1.00 0.00 C ATOM 751 O PRO A 47 -7.664 2.640 11.723 1.00 0.00 O ATOM 752 CB PRO A 47 -9.159 5.004 11.381 1.00 0.00 C ATOM 753 CG PRO A 47 -10.497 4.590 10.836 1.00 0.00 C ATOM 754 CD PRO A 47 -10.238 3.657 9.686 1.00 0.00 C ATOM 0 HA PRO A 47 -7.435 5.357 10.042 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -8.973 4.538 12.349 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -9.119 6.083 11.534 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -11.090 4.097 11.606 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -11.064 5.460 10.505 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -10.255 2.613 9.999 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -10.985 3.766 8.899 1.00 0.00 H new ATOM 762 N SER A 48 -5.946 3.482 10.523 1.00 0.00 N ATOM 763 CA SER A 48 -4.965 2.510 10.994 1.00 0.00 C ATOM 764 C SER A 48 -5.352 1.102 10.527 1.00 0.00 C ATOM 765 O SER A 48 -6.123 0.946 9.582 1.00 0.00 O ATOM 766 CB SER A 48 -4.846 2.578 12.527 1.00 0.00 C ATOM 767 OG SER A 48 -3.758 1.800 13.007 1.00 0.00 O ATOM 0 H SER A 48 -5.574 4.160 9.859 1.00 0.00 H new ATOM 0 HA SER A 48 -3.990 2.749 10.570 1.00 0.00 H new ATOM 0 HB2 SER A 48 -4.715 3.615 12.836 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.773 2.225 12.980 1.00 0.00 H new ATOM 0 HG SER A 48 -3.713 1.869 13.984 1.00 0.00 H new ATOM 773 N LEU A 49 -4.812 0.082 11.181 1.00 0.00 N ATOM 774 CA LEU A 49 -5.079 -1.299 10.793 1.00 0.00 C ATOM 775 C LEU A 49 -6.373 -1.802 11.419 1.00 0.00 C ATOM 776 O LEU A 49 -6.755 -2.960 11.241 1.00 0.00 O ATOM 777 CB LEU A 49 -3.915 -2.201 11.203 1.00 0.00 C ATOM 778 CG LEU A 49 -2.563 -1.831 10.592 1.00 0.00 C ATOM 779 CD1 LEU A 49 -1.494 -2.805 11.048 1.00 0.00 C ATOM 780 CD2 LEU A 49 -2.649 -1.807 9.074 1.00 0.00 C ATOM 0 H LEU A 49 -4.188 0.183 11.981 1.00 0.00 H new ATOM 0 HA LEU A 49 -5.188 -1.329 9.709 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.824 -2.180 12.289 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.154 -3.227 10.923 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.292 -0.832 10.935 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.537 -2.529 10.605 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.413 -2.774 12.135 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.762 -3.813 10.733 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.677 -1.542 8.659 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.942 -2.792 8.711 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.390 -1.070 8.763 1.00 0.00 H new ATOM 792 N GLY A 50 -7.041 -0.928 12.155 1.00 0.00 N ATOM 793 CA GLY A 50 -8.304 -1.286 12.760 1.00 0.00 C ATOM 794 C GLY A 50 -9.446 -1.127 11.782 1.00 0.00 C ATOM 795 O GLY A 50 -9.576 -0.076 11.154 1.00 0.00 O ATOM 0 H GLY A 50 -6.730 0.025 12.344 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -8.263 -2.318 13.110 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.481 -0.660 13.634 1.00 0.00 H new ATOM 799 N GLN A 51 -10.257 -2.180 11.650 1.00 0.00 N ATOM 800 CA GLN A 51 -11.374 -2.222 10.699 1.00 0.00 C ATOM 801 C GLN A 51 -10.851 -2.450 9.275 1.00 0.00 C ATOM 802 O GLN A 51 -11.621 -2.515 8.312 1.00 0.00 O ATOM 803 CB GLN A 51 -12.224 -0.939 10.775 1.00 0.00 C ATOM 804 CG GLN A 51 -13.510 -0.995 9.964 1.00 0.00 C ATOM 805 CD GLN A 51 -14.231 0.338 9.904 1.00 0.00 C ATOM 806 OE1 GLN A 51 -14.906 0.642 8.924 1.00 0.00 O ATOM 807 NE2 GLN A 51 -14.097 1.142 10.947 1.00 0.00 N ATOM 0 H GLN A 51 -10.158 -3.032 12.202 1.00 0.00 H new ATOM 0 HA GLN A 51 -12.019 -3.058 10.970 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -12.473 -0.743 11.818 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -11.624 -0.098 10.427 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -13.280 -1.323 8.950 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -14.175 -1.742 10.398 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -13.528 0.854 11.743 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -14.563 2.049 10.955 1.00 0.00 H new ATOM 816 N LEU A 52 -9.538 -2.593 9.151 1.00 0.00 N ATOM 817 CA LEU A 52 -8.925 -2.868 7.862 1.00 0.00 C ATOM 818 C LEU A 52 -9.147 -4.323 7.480 1.00 0.00 C ATOM 819 O LEU A 52 -8.450 -5.217 7.955 1.00 0.00 O ATOM 820 CB LEU A 52 -7.429 -2.547 7.881 1.00 0.00 C ATOM 821 CG LEU A 52 -6.688 -2.839 6.571 1.00 0.00 C ATOM 822 CD1 LEU A 52 -7.276 -2.030 5.425 1.00 0.00 C ATOM 823 CD2 LEU A 52 -5.204 -2.548 6.721 1.00 0.00 C ATOM 0 H LEU A 52 -8.880 -2.523 9.927 1.00 0.00 H new ATOM 0 HA LEU A 52 -9.396 -2.227 7.117 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -7.302 -1.492 8.126 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.960 -3.119 8.682 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.811 -3.897 6.340 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -6.734 -2.254 4.506 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -8.327 -2.289 5.299 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -7.189 -0.967 5.648 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.695 -2.761 5.781 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.063 -1.499 6.980 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.788 -3.175 7.509 1.00 0.00 H new ATOM 835 N GLN A 53 -10.149 -4.542 6.648 1.00 0.00 N ATOM 836 CA GLN A 53 -10.477 -5.863 6.134 1.00 0.00 C ATOM 837 C GLN A 53 -10.976 -5.718 4.701 1.00 0.00 C ATOM 838 O GLN A 53 -11.221 -4.593 4.264 1.00 0.00 O ATOM 839 CB GLN A 53 -11.542 -6.530 7.015 1.00 0.00 C ATOM 840 CG GLN A 53 -11.029 -6.946 8.384 1.00 0.00 C ATOM 841 CD GLN A 53 -12.056 -7.719 9.183 1.00 0.00 C ATOM 842 OE1 GLN A 53 -13.259 -7.508 9.041 1.00 0.00 O ATOM 843 NE2 GLN A 53 -11.587 -8.624 10.025 1.00 0.00 N ATOM 0 H GLN A 53 -10.764 -3.803 6.306 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.590 -6.496 6.148 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -12.378 -5.842 7.144 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -11.929 -7.409 6.499 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -10.135 -7.557 8.262 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -10.734 -6.057 8.942 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -10.581 -8.767 10.112 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -12.231 -9.179 10.588 1.00 0.00 H new ATOM 852 N PRO A 54 -11.132 -6.834 3.952 1.00 0.00 N ATOM 853 CA PRO A 54 -11.613 -6.813 2.556 1.00 0.00 C ATOM 854 C PRO A 54 -12.850 -5.936 2.340 1.00 0.00 C ATOM 855 O PRO A 54 -13.110 -5.487 1.224 1.00 0.00 O ATOM 856 CB PRO A 54 -11.945 -8.278 2.283 1.00 0.00 C ATOM 857 CG PRO A 54 -10.999 -9.037 3.144 1.00 0.00 C ATOM 858 CD PRO A 54 -10.819 -8.212 4.391 1.00 0.00 C ATOM 0 HA PRO A 54 -10.866 -6.384 1.888 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -12.981 -8.504 2.535 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -11.811 -8.526 1.230 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -11.395 -10.024 3.383 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -10.047 -9.190 2.637 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.488 -8.540 5.187 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -9.802 -8.287 4.777 1.00 0.00 H new ATOM 866 N ALA A 55 -13.602 -5.694 3.410 1.00 0.00 N ATOM 867 CA ALA A 55 -14.767 -4.816 3.358 1.00 0.00 C ATOM 868 C ALA A 55 -14.381 -3.409 2.898 1.00 0.00 C ATOM 869 O ALA A 55 -14.895 -2.907 1.901 1.00 0.00 O ATOM 870 CB ALA A 55 -15.436 -4.760 4.724 1.00 0.00 C ATOM 0 H ALA A 55 -13.423 -6.097 4.330 1.00 0.00 H new ATOM 0 HA ALA A 55 -15.469 -5.224 2.631 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -16.304 -4.103 4.677 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -15.754 -5.761 5.015 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -14.729 -4.376 5.460 1.00 0.00 H new ATOM 876 N HIS A 56 -13.462 -2.776 3.619 1.00 0.00 N ATOM 877 CA HIS A 56 -13.022 -1.425 3.271 1.00 0.00 C ATOM 878 C HIS A 56 -11.725 -1.463 2.475 1.00 0.00 C ATOM 879 O HIS A 56 -11.178 -0.429 2.090 1.00 0.00 O ATOM 880 CB HIS A 56 -12.876 -0.558 4.523 1.00 0.00 C ATOM 881 CG HIS A 56 -14.165 0.082 4.941 1.00 0.00 C ATOM 882 ND1 HIS A 56 -15.012 -0.457 5.884 1.00 0.00 N ATOM 883 CD2 HIS A 56 -14.759 1.221 4.516 1.00 0.00 C ATOM 884 CE1 HIS A 56 -16.069 0.321 6.016 1.00 0.00 C ATOM 885 NE2 HIS A 56 -15.942 1.347 5.198 1.00 0.00 N ATOM 0 H HIS A 56 -13.008 -3.171 4.443 1.00 0.00 H new ATOM 0 HA HIS A 56 -13.787 -0.973 2.640 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -12.498 -1.171 5.341 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -12.134 0.218 4.337 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -14.372 1.905 3.775 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -16.900 0.146 6.683 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -16.612 2.108 5.090 1.00 0.00 H new ATOM 894 N MET A 57 -11.244 -2.671 2.228 1.00 0.00 N ATOM 895 CA MET A 57 -10.112 -2.887 1.340 1.00 0.00 C ATOM 896 C MET A 57 -10.638 -3.182 -0.062 1.00 0.00 C ATOM 897 O MET A 57 -9.878 -3.456 -0.992 1.00 0.00 O ATOM 898 CB MET A 57 -9.260 -4.053 1.856 1.00 0.00 C ATOM 899 CG MET A 57 -7.953 -4.260 1.107 1.00 0.00 C ATOM 900 SD MET A 57 -7.035 -5.688 1.712 1.00 0.00 S ATOM 901 CE MET A 57 -5.602 -5.651 0.637 1.00 0.00 C ATOM 0 H MET A 57 -11.625 -3.525 2.635 1.00 0.00 H new ATOM 0 HA MET A 57 -9.485 -1.996 1.309 1.00 0.00 H new ATOM 0 HB2 MET A 57 -9.037 -3.885 2.910 1.00 0.00 H new ATOM 0 HB3 MET A 57 -9.847 -4.969 1.796 1.00 0.00 H new ATOM 0 HG2 MET A 57 -8.162 -4.389 0.045 1.00 0.00 H new ATOM 0 HG3 MET A 57 -7.336 -3.367 1.204 1.00 0.00 H new ATOM 0 HE1 MET A 57 -4.857 -6.360 0.999 1.00 0.00 H new ATOM 0 HE2 MET A 57 -5.900 -5.923 -0.376 1.00 0.00 H new ATOM 0 HE3 MET A 57 -5.176 -4.648 0.633 1.00 0.00 H new ATOM 911 N ASP A 58 -11.962 -3.095 -0.195 1.00 0.00 N ATOM 912 CA ASP A 58 -12.655 -3.402 -1.445 1.00 0.00 C ATOM 913 C ASP A 58 -12.100 -2.589 -2.604 1.00 0.00 C ATOM 914 O ASP A 58 -11.898 -3.117 -3.692 1.00 0.00 O ATOM 915 CB ASP A 58 -14.155 -3.133 -1.305 1.00 0.00 C ATOM 916 CG ASP A 58 -14.920 -3.462 -2.572 1.00 0.00 C ATOM 917 OD1 ASP A 58 -15.137 -4.663 -2.837 1.00 0.00 O ATOM 918 OD2 ASP A 58 -15.304 -2.525 -3.303 1.00 0.00 O ATOM 0 H ASP A 58 -12.584 -2.810 0.562 1.00 0.00 H new ATOM 0 HA ASP A 58 -12.493 -4.459 -1.657 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -14.552 -3.724 -0.480 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -14.312 -2.085 -1.051 1.00 0.00 H new ATOM 923 N ALA A 59 -11.841 -1.308 -2.358 1.00 0.00 N ATOM 924 CA ALA A 59 -11.296 -0.423 -3.383 1.00 0.00 C ATOM 925 C ALA A 59 -9.992 -0.978 -3.948 1.00 0.00 C ATOM 926 O ALA A 59 -9.761 -0.951 -5.159 1.00 0.00 O ATOM 927 CB ALA A 59 -11.077 0.972 -2.814 1.00 0.00 C ATOM 0 H ALA A 59 -12.000 -0.859 -1.456 1.00 0.00 H new ATOM 0 HA ALA A 59 -12.018 -0.361 -4.197 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -10.670 1.621 -3.589 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -12.027 1.376 -2.464 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -10.376 0.919 -1.981 1.00 0.00 H new ATOM 933 N VAL A 60 -9.154 -1.508 -3.064 1.00 0.00 N ATOM 934 CA VAL A 60 -7.880 -2.085 -3.464 1.00 0.00 C ATOM 935 C VAL A 60 -8.108 -3.370 -4.254 1.00 0.00 C ATOM 936 O VAL A 60 -7.479 -3.600 -5.286 1.00 0.00 O ATOM 937 CB VAL A 60 -6.989 -2.397 -2.241 1.00 0.00 C ATOM 938 CG1 VAL A 60 -5.601 -2.836 -2.680 1.00 0.00 C ATOM 939 CG2 VAL A 60 -6.904 -1.194 -1.313 1.00 0.00 C ATOM 0 H VAL A 60 -9.337 -1.549 -2.061 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.371 -1.350 -4.087 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.447 -3.219 -1.691 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.992 -3.050 -1.802 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.680 -3.733 -3.294 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.134 -2.040 -3.260 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.272 -1.437 -0.459 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.477 -0.348 -1.852 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -7.903 -0.934 -0.962 1.00 0.00 H new ATOM 949 N LEU A 61 -9.033 -4.187 -3.770 1.00 0.00 N ATOM 950 CA LEU A 61 -9.335 -5.470 -4.400 1.00 0.00 C ATOM 951 C LEU A 61 -10.044 -5.278 -5.738 1.00 0.00 C ATOM 952 O LEU A 61 -9.948 -6.123 -6.627 1.00 0.00 O ATOM 953 CB LEU A 61 -10.199 -6.324 -3.468 1.00 0.00 C ATOM 954 CG LEU A 61 -9.573 -6.646 -2.108 1.00 0.00 C ATOM 955 CD1 LEU A 61 -10.545 -7.440 -1.250 1.00 0.00 C ATOM 956 CD2 LEU A 61 -8.270 -7.412 -2.285 1.00 0.00 C ATOM 0 H LEU A 61 -9.591 -3.985 -2.940 1.00 0.00 H new ATOM 0 HA LEU A 61 -8.391 -5.982 -4.588 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -11.144 -5.808 -3.301 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -10.432 -7.261 -3.973 1.00 0.00 H new ATOM 0 HG LEU A 61 -9.352 -5.707 -1.601 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -10.084 -7.660 -0.287 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -11.452 -6.856 -1.093 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -10.797 -8.373 -1.754 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.841 -7.631 -1.307 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -8.465 -8.345 -2.813 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.569 -6.809 -2.862 1.00 0.00 H new ATOM 968 N ALA A 62 -10.763 -4.167 -5.868 1.00 0.00 N ATOM 969 CA ALA A 62 -11.459 -3.837 -7.104 1.00 0.00 C ATOM 970 C ALA A 62 -10.467 -3.508 -8.206 1.00 0.00 C ATOM 971 O ALA A 62 -10.625 -3.944 -9.348 1.00 0.00 O ATOM 972 CB ALA A 62 -12.404 -2.667 -6.887 1.00 0.00 C ATOM 0 H ALA A 62 -10.878 -3.477 -5.126 1.00 0.00 H new ATOM 0 HA ALA A 62 -12.042 -4.707 -7.408 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -12.915 -2.434 -7.821 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -13.139 -2.929 -6.126 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -11.836 -1.797 -6.558 1.00 0.00 H new ATOM 978 N LEU A 63 -9.450 -2.728 -7.861 1.00 0.00 N ATOM 979 CA LEU A 63 -8.387 -2.408 -8.804 1.00 0.00 C ATOM 980 C LEU A 63 -7.532 -3.646 -9.045 1.00 0.00 C ATOM 981 O LEU A 63 -7.062 -3.884 -10.160 1.00 0.00 O ATOM 982 CB LEU A 63 -7.523 -1.262 -8.265 1.00 0.00 C ATOM 983 CG LEU A 63 -8.283 0.028 -7.942 1.00 0.00 C ATOM 984 CD1 LEU A 63 -7.342 1.070 -7.361 1.00 0.00 C ATOM 985 CD2 LEU A 63 -8.973 0.571 -9.186 1.00 0.00 C ATOM 0 H LEU A 63 -9.339 -2.307 -6.939 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.830 -2.089 -9.747 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -7.017 -1.603 -7.362 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.749 -1.035 -8.998 1.00 0.00 H new ATOM 0 HG LEU A 63 -9.046 -0.203 -7.198 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -7.900 1.980 -7.138 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.894 0.685 -6.445 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.557 1.294 -8.083 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.507 1.487 -8.935 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -8.227 0.784 -9.952 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.679 -0.169 -9.563 1.00 0.00 H new ATOM 997 N ASN A 64 -7.361 -4.423 -7.977 1.00 0.00 N ATOM 998 CA ASN A 64 -6.659 -5.705 -8.014 1.00 0.00 C ATOM 999 C ASN A 64 -5.249 -5.559 -8.580 1.00 0.00 C ATOM 1000 O ASN A 64 -5.016 -5.789 -9.767 1.00 0.00 O ATOM 1001 CB ASN A 64 -7.456 -6.736 -8.821 1.00 0.00 C ATOM 1002 CG ASN A 64 -6.868 -8.129 -8.725 1.00 0.00 C ATOM 1003 OD1 ASN A 64 -6.274 -8.499 -7.711 1.00 0.00 O ATOM 1004 ND2 ASN A 64 -7.036 -8.917 -9.773 1.00 0.00 N ATOM 0 H ASN A 64 -7.710 -4.177 -7.051 1.00 0.00 H new ATOM 0 HA ASN A 64 -6.569 -6.058 -6.987 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.486 -6.755 -8.464 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -7.486 -6.429 -9.867 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -6.668 -9.868 -9.760 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -7.534 -8.574 -10.595 1.00 0.00 H new ATOM 1011 N PRO A 65 -4.294 -5.145 -7.737 1.00 0.00 N ATOM 1012 CA PRO A 65 -2.905 -4.971 -8.144 1.00 0.00 C ATOM 1013 C PRO A 65 -2.106 -6.268 -8.046 1.00 0.00 C ATOM 1014 O PRO A 65 -2.641 -7.316 -7.682 1.00 0.00 O ATOM 1015 CB PRO A 65 -2.394 -3.946 -7.137 1.00 0.00 C ATOM 1016 CG PRO A 65 -3.169 -4.220 -5.891 1.00 0.00 C ATOM 1017 CD PRO A 65 -4.492 -4.812 -6.316 1.00 0.00 C ATOM 0 HA PRO A 65 -2.807 -4.663 -9.185 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -1.323 -4.056 -6.969 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -2.559 -2.928 -7.490 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -2.628 -4.910 -5.244 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -3.322 -3.303 -5.322 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -4.740 -5.697 -5.730 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -5.308 -4.102 -6.182 1.00 0.00 H new ATOM 1025 N ALA A 66 -0.822 -6.192 -8.368 1.00 0.00 N ATOM 1026 CA ALA A 66 0.045 -7.359 -8.311 1.00 0.00 C ATOM 1027 C ALA A 66 0.788 -7.409 -6.983 1.00 0.00 C ATOM 1028 O ALA A 66 0.929 -8.469 -6.374 1.00 0.00 O ATOM 1029 CB ALA A 66 1.028 -7.344 -9.471 1.00 0.00 C ATOM 0 H ALA A 66 -0.359 -5.335 -8.671 1.00 0.00 H new ATOM 0 HA ALA A 66 -0.573 -8.253 -8.392 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.670 -8.223 -9.415 1.00 0.00 H new ATOM 0 HB2 ALA A 66 0.479 -7.354 -10.413 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.640 -6.444 -9.418 1.00 0.00 H new ATOM 1035 N VAL A 67 1.259 -6.255 -6.534 1.00 0.00 N ATOM 1036 CA VAL A 67 1.989 -6.175 -5.277 1.00 0.00 C ATOM 1037 C VAL A 67 1.519 -4.968 -4.469 1.00 0.00 C ATOM 1038 O VAL A 67 1.193 -3.927 -5.036 1.00 0.00 O ATOM 1039 CB VAL A 67 3.520 -6.121 -5.521 1.00 0.00 C ATOM 1040 CG1 VAL A 67 3.888 -4.986 -6.464 1.00 0.00 C ATOM 1041 CG2 VAL A 67 4.284 -5.998 -4.210 1.00 0.00 C ATOM 0 H VAL A 67 1.150 -5.364 -7.019 1.00 0.00 H new ATOM 0 HA VAL A 67 1.781 -7.077 -4.702 1.00 0.00 H new ATOM 0 HB VAL A 67 3.808 -7.060 -5.993 1.00 0.00 H new ATOM 0 HG11 VAL A 67 4.967 -4.974 -6.615 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.389 -5.132 -7.422 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.572 -4.037 -6.032 1.00 0.00 H new ATOM 0 HG21 VAL A 67 5.354 -5.963 -4.414 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.982 -5.085 -3.697 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.064 -6.859 -3.578 1.00 0.00 H new ATOM 1051 N ILE A 68 1.451 -5.120 -3.154 1.00 0.00 N ATOM 1052 CA ILE A 68 0.961 -4.058 -2.288 1.00 0.00 C ATOM 1053 C ILE A 68 1.969 -3.746 -1.191 1.00 0.00 C ATOM 1054 O ILE A 68 2.351 -4.620 -0.411 1.00 0.00 O ATOM 1055 CB ILE A 68 -0.391 -4.430 -1.634 1.00 0.00 C ATOM 1056 CG1 ILE A 68 -1.433 -4.774 -2.700 1.00 0.00 C ATOM 1057 CG2 ILE A 68 -0.889 -3.287 -0.757 1.00 0.00 C ATOM 1058 CD1 ILE A 68 -2.758 -5.239 -2.131 1.00 0.00 C ATOM 0 H ILE A 68 1.729 -5.970 -2.663 1.00 0.00 H new ATOM 0 HA ILE A 68 0.817 -3.180 -2.917 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.237 -5.309 -1.009 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.604 -3.897 -3.324 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.033 -5.554 -3.348 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -1.841 -3.564 -0.304 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.159 -3.085 0.027 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.024 -2.393 -1.366 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.445 -5.464 -2.947 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.602 -6.135 -1.530 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.182 -4.453 -1.506 1.00 0.00 H new ATOM 1070 N LEU A 69 2.399 -2.499 -1.140 1.00 0.00 N ATOM 1071 CA LEU A 69 3.280 -2.041 -0.081 1.00 0.00 C ATOM 1072 C LEU A 69 2.455 -1.355 0.992 1.00 0.00 C ATOM 1073 O LEU A 69 1.964 -0.243 0.797 1.00 0.00 O ATOM 1074 CB LEU A 69 4.342 -1.085 -0.630 1.00 0.00 C ATOM 1075 CG LEU A 69 5.324 -1.703 -1.628 1.00 0.00 C ATOM 1076 CD1 LEU A 69 6.279 -0.645 -2.156 1.00 0.00 C ATOM 1077 CD2 LEU A 69 6.099 -2.842 -0.981 1.00 0.00 C ATOM 0 H LEU A 69 2.151 -1.782 -1.822 1.00 0.00 H new ATOM 0 HA LEU A 69 3.795 -2.900 0.349 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.839 -0.247 -1.112 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.908 -0.678 0.207 1.00 0.00 H new ATOM 0 HG LEU A 69 4.755 -2.106 -2.466 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.971 -1.100 -2.864 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.712 0.140 -2.656 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.840 -0.215 -1.326 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.792 -3.269 -1.706 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.657 -2.462 -0.125 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.403 -3.612 -0.647 1.00 0.00 H new ATOM 1089 N LEU A 70 2.281 -2.033 2.114 1.00 0.00 N ATOM 1090 CA LEU A 70 1.446 -1.524 3.185 1.00 0.00 C ATOM 1091 C LEU A 70 2.285 -0.731 4.173 1.00 0.00 C ATOM 1092 O LEU A 70 3.194 -1.271 4.802 1.00 0.00 O ATOM 1093 CB LEU A 70 0.734 -2.677 3.897 1.00 0.00 C ATOM 1094 CG LEU A 70 -0.251 -2.263 4.993 1.00 0.00 C ATOM 1095 CD1 LEU A 70 -1.397 -1.451 4.409 1.00 0.00 C ATOM 1096 CD2 LEU A 70 -0.782 -3.491 5.717 1.00 0.00 C ATOM 0 H LEU A 70 2.709 -2.939 2.306 1.00 0.00 H new ATOM 0 HA LEU A 70 0.693 -0.862 2.757 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.197 -3.265 3.153 1.00 0.00 H new ATOM 0 HB3 LEU A 70 1.487 -3.331 4.337 1.00 0.00 H new ATOM 0 HG LEU A 70 0.278 -1.637 5.712 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -2.085 -1.167 5.206 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.002 -0.553 3.934 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.927 -2.050 3.668 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.481 -3.181 6.494 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -1.293 -4.140 5.006 1.00 0.00 H new ATOM 0 HD23 LEU A 70 0.048 -4.033 6.171 1.00 0.00 H new ATOM 1108 N GLY A 71 1.985 0.551 4.290 1.00 0.00 N ATOM 1109 CA GLY A 71 2.686 1.392 5.233 1.00 0.00 C ATOM 1110 C GLY A 71 1.911 1.546 6.521 1.00 0.00 C ATOM 1111 O GLY A 71 0.937 2.296 6.579 1.00 0.00 O ATOM 0 H GLY A 71 1.265 1.026 3.746 1.00 0.00 H new ATOM 0 HA2 GLY A 71 3.666 0.964 5.446 1.00 0.00 H new ATOM 0 HA3 GLY A 71 2.856 2.373 4.790 1.00 0.00 H new ATOM 1115 N THR A 72 2.333 0.833 7.551 1.00 0.00 N ATOM 1116 CA THR A 72 1.641 0.856 8.826 1.00 0.00 C ATOM 1117 C THR A 72 2.140 2.011 9.694 1.00 0.00 C ATOM 1118 O THR A 72 2.737 1.803 10.753 1.00 0.00 O ATOM 1119 CB THR A 72 1.816 -0.486 9.570 1.00 0.00 C ATOM 1120 OG1 THR A 72 3.207 -0.764 9.771 1.00 0.00 O ATOM 1121 CG2 THR A 72 1.187 -1.626 8.786 1.00 0.00 C ATOM 0 H THR A 72 3.155 0.229 7.528 1.00 0.00 H new ATOM 0 HA THR A 72 0.580 1.006 8.628 1.00 0.00 H new ATOM 0 HB THR A 72 1.316 -0.401 10.535 1.00 0.00 H new ATOM 0 HG1 THR A 72 3.464 -0.507 10.681 1.00 0.00 H new ATOM 0 HG21 THR A 72 1.323 -2.561 9.330 1.00 0.00 H new ATOM 0 HG22 THR A 72 0.122 -1.434 8.656 1.00 0.00 H new ATOM 0 HG23 THR A 72 1.664 -1.702 7.809 1.00 0.00 H new ATOM 1129 N GLY A 73 1.898 3.233 9.234 1.00 0.00 N ATOM 1130 CA GLY A 73 2.369 4.405 9.944 1.00 0.00 C ATOM 1131 C GLY A 73 3.860 4.359 10.202 1.00 0.00 C ATOM 1132 O GLY A 73 4.652 4.136 9.285 1.00 0.00 O ATOM 0 H GLY A 73 1.381 3.432 8.378 1.00 0.00 H new ATOM 0 HA2 GLY A 73 2.130 5.298 9.366 1.00 0.00 H new ATOM 0 HA3 GLY A 73 1.840 4.489 10.894 1.00 0.00 H new ATOM 1136 N GLU A 74 4.237 4.555 11.454 1.00 0.00 N ATOM 1137 CA GLU A 74 5.631 4.491 11.858 1.00 0.00 C ATOM 1138 C GLU A 74 5.803 3.358 12.867 1.00 0.00 C ATOM 1139 O GLU A 74 6.678 3.391 13.731 1.00 0.00 O ATOM 1140 CB GLU A 74 6.053 5.830 12.471 1.00 0.00 C ATOM 1141 CG GLU A 74 7.554 6.075 12.453 1.00 0.00 C ATOM 1142 CD GLU A 74 8.104 6.183 11.046 1.00 0.00 C ATOM 1143 OE1 GLU A 74 7.551 6.963 10.250 1.00 0.00 O ATOM 1144 OE2 GLU A 74 9.101 5.501 10.737 1.00 0.00 O ATOM 0 H GLU A 74 3.590 4.762 12.215 1.00 0.00 H new ATOM 0 HA GLU A 74 6.263 4.296 10.992 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.557 6.637 11.931 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.701 5.873 13.502 1.00 0.00 H new ATOM 0 HG2 GLU A 74 7.776 6.992 12.999 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.058 5.263 12.976 1.00 0.00 H new ATOM 1151 N ARG A 75 4.942 2.359 12.744 1.00 0.00 N ATOM 1152 CA ARG A 75 4.934 1.220 13.650 1.00 0.00 C ATOM 1153 C ARG A 75 4.566 -0.045 12.884 1.00 0.00 C ATOM 1154 O ARG A 75 3.414 -0.223 12.493 1.00 0.00 O ATOM 1155 CB ARG A 75 3.931 1.464 14.783 1.00 0.00 C ATOM 1156 CG ARG A 75 3.677 0.253 15.666 1.00 0.00 C ATOM 1157 CD ARG A 75 2.567 0.526 16.669 1.00 0.00 C ATOM 1158 NE ARG A 75 2.122 -0.692 17.342 1.00 0.00 N ATOM 1159 CZ ARG A 75 0.930 -0.830 17.922 1.00 0.00 C ATOM 1160 NH1 ARG A 75 0.090 0.200 17.990 1.00 0.00 N ATOM 1161 NH2 ARG A 75 0.591 -1.995 18.455 1.00 0.00 N ATOM 0 H ARG A 75 4.230 2.315 12.015 1.00 0.00 H new ATOM 0 HA ARG A 75 5.928 1.095 14.081 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.295 2.282 15.405 1.00 0.00 H new ATOM 0 HB3 ARG A 75 2.984 1.789 14.351 1.00 0.00 H new ATOM 0 HG2 ARG A 75 3.408 -0.602 15.046 1.00 0.00 H new ATOM 0 HG3 ARG A 75 4.592 -0.012 16.196 1.00 0.00 H new ATOM 0 HD2 ARG A 75 2.918 1.242 17.412 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.722 0.986 16.157 1.00 0.00 H new ATOM 0 HE ARG A 75 2.763 -1.485 17.370 1.00 0.00 H new ATOM 0 HH11 ARG A 75 0.357 1.103 17.597 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -0.821 0.087 18.435 1.00 0.00 H new ATOM 0 HH21 ARG A 75 1.241 -2.780 18.420 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -0.320 -2.106 18.900 1.00 0.00 H new ATOM 1175 N GLN A 76 5.544 -0.907 12.647 1.00 0.00 N ATOM 1176 CA GLN A 76 5.309 -2.129 11.890 1.00 0.00 C ATOM 1177 C GLN A 76 4.389 -3.071 12.665 1.00 0.00 C ATOM 1178 O GLN A 76 4.771 -3.631 13.694 1.00 0.00 O ATOM 1179 CB GLN A 76 6.633 -2.821 11.554 1.00 0.00 C ATOM 1180 CG GLN A 76 6.476 -3.987 10.589 1.00 0.00 C ATOM 1181 CD GLN A 76 7.804 -4.567 10.143 1.00 0.00 C ATOM 1182 OE1 GLN A 76 8.815 -3.865 10.080 1.00 0.00 O ATOM 1183 NE2 GLN A 76 7.812 -5.852 9.830 1.00 0.00 N ATOM 0 H GLN A 76 6.505 -0.784 12.966 1.00 0.00 H new ATOM 0 HA GLN A 76 4.818 -1.863 10.954 1.00 0.00 H new ATOM 0 HB2 GLN A 76 7.317 -2.091 11.122 1.00 0.00 H new ATOM 0 HB3 GLN A 76 7.091 -3.180 12.475 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.885 -4.769 11.066 1.00 0.00 H new ATOM 0 HG3 GLN A 76 5.918 -3.655 9.714 1.00 0.00 H new ATOM 0 HE21 GLN A 76 6.953 -6.398 9.896 1.00 0.00 H new ATOM 0 HE22 GLN A 76 8.677 -6.297 9.523 1.00 0.00 H new ATOM 1192 N GLN A 77 3.172 -3.221 12.170 1.00 0.00 N ATOM 1193 CA GLN A 77 2.161 -4.035 12.829 1.00 0.00 C ATOM 1194 C GLN A 77 1.471 -4.929 11.802 1.00 0.00 C ATOM 1195 O GLN A 77 1.321 -4.543 10.643 1.00 0.00 O ATOM 1196 CB GLN A 77 1.140 -3.125 13.528 1.00 0.00 C ATOM 1197 CG GLN A 77 -0.007 -3.864 14.202 1.00 0.00 C ATOM 1198 CD GLN A 77 -1.036 -2.922 14.806 1.00 0.00 C ATOM 1199 OE1 GLN A 77 -0.708 -1.826 15.258 1.00 0.00 O ATOM 1200 NE2 GLN A 77 -2.291 -3.338 14.808 1.00 0.00 N ATOM 0 H GLN A 77 2.856 -2.785 11.304 1.00 0.00 H new ATOM 0 HA GLN A 77 2.634 -4.669 13.579 1.00 0.00 H new ATOM 0 HB2 GLN A 77 1.659 -2.526 14.276 1.00 0.00 H new ATOM 0 HB3 GLN A 77 0.728 -2.432 12.794 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -0.496 -4.511 13.473 1.00 0.00 H new ATOM 0 HG3 GLN A 77 0.392 -4.510 14.984 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -2.525 -4.254 14.424 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -3.025 -2.743 15.193 1.00 0.00 H new ATOM 1209 N PHE A 78 1.073 -6.123 12.220 1.00 0.00 N ATOM 1210 CA PHE A 78 0.383 -7.047 11.330 1.00 0.00 C ATOM 1211 C PHE A 78 -1.073 -6.621 11.144 1.00 0.00 C ATOM 1212 O PHE A 78 -1.708 -6.138 12.085 1.00 0.00 O ATOM 1213 CB PHE A 78 0.466 -8.487 11.865 1.00 0.00 C ATOM 1214 CG PHE A 78 -0.115 -8.680 13.242 1.00 0.00 C ATOM 1215 CD1 PHE A 78 0.675 -8.526 14.370 1.00 0.00 C ATOM 1216 CD2 PHE A 78 -1.449 -9.020 13.407 1.00 0.00 C ATOM 1217 CE1 PHE A 78 0.147 -8.709 15.635 1.00 0.00 C ATOM 1218 CE2 PHE A 78 -1.981 -9.205 14.667 1.00 0.00 C ATOM 1219 CZ PHE A 78 -1.183 -9.046 15.784 1.00 0.00 C ATOM 0 H PHE A 78 1.216 -6.474 13.167 1.00 0.00 H new ATOM 0 HA PHE A 78 0.876 -7.020 10.358 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.052 -9.149 11.171 1.00 0.00 H new ATOM 0 HB3 PHE A 78 1.511 -8.795 11.880 1.00 0.00 H new ATOM 0 HD1 PHE A 78 1.716 -8.260 14.260 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -2.080 -9.142 12.539 1.00 0.00 H new ATOM 0 HE1 PHE A 78 0.775 -8.588 16.505 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -3.021 -9.474 14.780 1.00 0.00 H new ATOM 0 HZ PHE A 78 -1.599 -9.185 16.771 1.00 0.00 H new ATOM 1229 N PRO A 79 -1.615 -6.768 9.925 1.00 0.00 N ATOM 1230 CA PRO A 79 -3.001 -6.419 9.625 1.00 0.00 C ATOM 1231 C PRO A 79 -3.976 -7.487 10.113 1.00 0.00 C ATOM 1232 O PRO A 79 -3.590 -8.414 10.826 1.00 0.00 O ATOM 1233 CB PRO A 79 -3.040 -6.327 8.090 1.00 0.00 C ATOM 1234 CG PRO A 79 -1.640 -6.576 7.619 1.00 0.00 C ATOM 1235 CD PRO A 79 -0.928 -7.281 8.737 1.00 0.00 C ATOM 0 HA PRO A 79 -3.300 -5.496 10.121 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -3.727 -7.063 7.674 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -3.390 -5.346 7.768 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -1.638 -7.184 6.715 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -1.142 -5.638 7.373 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -1.015 -8.364 8.654 1.00 0.00 H new ATOM 0 HD3 PRO A 79 0.137 -7.047 8.751 1.00 0.00 H new ATOM 1243 N SER A 80 -5.238 -7.357 9.727 1.00 0.00 N ATOM 1244 CA SER A 80 -6.245 -8.339 10.091 1.00 0.00 C ATOM 1245 C SER A 80 -6.009 -9.637 9.323 1.00 0.00 C ATOM 1246 O SER A 80 -5.485 -9.620 8.205 1.00 0.00 O ATOM 1247 CB SER A 80 -7.649 -7.792 9.811 1.00 0.00 C ATOM 1248 OG SER A 80 -8.653 -8.669 10.297 1.00 0.00 O ATOM 0 H SER A 80 -5.586 -6.582 9.163 1.00 0.00 H new ATOM 0 HA SER A 80 -6.167 -8.547 11.158 1.00 0.00 H new ATOM 0 HB2 SER A 80 -7.760 -6.814 10.279 1.00 0.00 H new ATOM 0 HB3 SER A 80 -7.778 -7.648 8.738 1.00 0.00 H new ATOM 0 HG SER A 80 -8.988 -8.339 11.157 1.00 0.00 H new ATOM 1254 N THR A 81 -6.395 -10.756 9.927 1.00 0.00 N ATOM 1255 CA THR A 81 -6.191 -12.070 9.335 1.00 0.00 C ATOM 1256 C THR A 81 -6.850 -12.166 7.960 1.00 0.00 C ATOM 1257 O THR A 81 -6.316 -12.789 7.039 1.00 0.00 O ATOM 1258 CB THR A 81 -6.776 -13.164 10.246 1.00 0.00 C ATOM 1259 OG1 THR A 81 -6.963 -12.639 11.569 1.00 0.00 O ATOM 1260 CG2 THR A 81 -5.852 -14.370 10.304 1.00 0.00 C ATOM 0 H THR A 81 -6.856 -10.776 10.837 1.00 0.00 H new ATOM 0 HA THR A 81 -5.117 -12.216 9.224 1.00 0.00 H new ATOM 0 HB THR A 81 -7.735 -13.481 9.835 1.00 0.00 H new ATOM 0 HG1 THR A 81 -7.337 -13.336 12.148 1.00 0.00 H new ATOM 0 HG21 THR A 81 -6.286 -15.130 10.954 1.00 0.00 H new ATOM 0 HG22 THR A 81 -5.724 -14.779 9.302 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.882 -14.067 10.698 1.00 0.00 H new ATOM 1268 N ASP A 82 -8.001 -11.515 7.826 1.00 0.00 N ATOM 1269 CA ASP A 82 -8.770 -11.550 6.587 1.00 0.00 C ATOM 1270 C ASP A 82 -8.045 -10.820 5.462 1.00 0.00 C ATOM 1271 O ASP A 82 -8.212 -11.151 4.290 1.00 0.00 O ATOM 1272 CB ASP A 82 -10.163 -10.949 6.804 1.00 0.00 C ATOM 1273 CG ASP A 82 -11.040 -11.828 7.675 1.00 0.00 C ATOM 1274 OD1 ASP A 82 -11.643 -12.778 7.143 1.00 0.00 O ATOM 1275 OD2 ASP A 82 -11.124 -11.578 8.897 1.00 0.00 O ATOM 0 H ASP A 82 -8.424 -10.954 8.565 1.00 0.00 H new ATOM 0 HA ASP A 82 -8.879 -12.594 6.292 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -10.064 -9.967 7.266 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -10.647 -10.800 5.838 1.00 0.00 H new ATOM 1280 N VAL A 83 -7.227 -9.838 5.823 1.00 0.00 N ATOM 1281 CA VAL A 83 -6.443 -9.097 4.840 1.00 0.00 C ATOM 1282 C VAL A 83 -5.356 -9.989 4.260 1.00 0.00 C ATOM 1283 O VAL A 83 -5.134 -10.013 3.048 1.00 0.00 O ATOM 1284 CB VAL A 83 -5.794 -7.841 5.460 1.00 0.00 C ATOM 1285 CG1 VAL A 83 -4.967 -7.086 4.430 1.00 0.00 C ATOM 1286 CG2 VAL A 83 -6.856 -6.935 6.051 1.00 0.00 C ATOM 0 H VAL A 83 -7.089 -9.536 6.788 1.00 0.00 H new ATOM 0 HA VAL A 83 -7.123 -8.778 4.050 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.125 -8.166 6.257 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -4.522 -6.206 4.895 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -4.177 -7.735 4.051 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -5.608 -6.775 3.605 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -6.383 -6.054 6.484 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -7.548 -6.627 5.268 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -7.402 -7.472 6.827 1.00 0.00 H new ATOM 1296 N LEU A 84 -4.696 -10.735 5.136 1.00 0.00 N ATOM 1297 CA LEU A 84 -3.649 -11.655 4.720 1.00 0.00 C ATOM 1298 C LEU A 84 -4.231 -12.731 3.811 1.00 0.00 C ATOM 1299 O LEU A 84 -3.660 -13.055 2.770 1.00 0.00 O ATOM 1300 CB LEU A 84 -2.985 -12.299 5.941 1.00 0.00 C ATOM 1301 CG LEU A 84 -2.319 -11.320 6.913 1.00 0.00 C ATOM 1302 CD1 LEU A 84 -1.743 -12.063 8.108 1.00 0.00 C ATOM 1303 CD2 LEU A 84 -1.231 -10.521 6.208 1.00 0.00 C ATOM 0 H LEU A 84 -4.869 -10.720 6.141 1.00 0.00 H new ATOM 0 HA LEU A 84 -2.893 -11.096 4.169 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.737 -12.871 6.485 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.234 -13.009 5.594 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.078 -10.625 7.272 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.274 -11.351 8.787 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.543 -12.589 8.629 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.999 -12.782 7.765 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.770 -9.831 6.915 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.474 -11.202 5.819 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -1.669 -9.957 5.385 1.00 0.00 H new ATOM 1315 N ALA A 85 -5.384 -13.262 4.202 1.00 0.00 N ATOM 1316 CA ALA A 85 -6.065 -14.282 3.417 1.00 0.00 C ATOM 1317 C ALA A 85 -6.444 -13.750 2.036 1.00 0.00 C ATOM 1318 O ALA A 85 -6.266 -14.436 1.029 1.00 0.00 O ATOM 1319 CB ALA A 85 -7.300 -14.776 4.154 1.00 0.00 C ATOM 0 H ALA A 85 -5.867 -13.001 5.061 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.380 -15.119 3.279 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.800 -15.538 3.556 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.005 -15.202 5.113 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.981 -13.942 4.322 1.00 0.00 H new ATOM 1325 N ALA A 86 -6.945 -12.520 1.993 1.00 0.00 N ATOM 1326 CA ALA A 86 -7.355 -11.897 0.737 1.00 0.00 C ATOM 1327 C ALA A 86 -6.181 -11.759 -0.226 1.00 0.00 C ATOM 1328 O ALA A 86 -6.340 -11.886 -1.439 1.00 0.00 O ATOM 1329 CB ALA A 86 -7.982 -10.537 1.004 1.00 0.00 C ATOM 0 H ALA A 86 -7.078 -11.932 2.816 1.00 0.00 H new ATOM 0 HA ALA A 86 -8.096 -12.545 0.268 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -8.283 -10.083 0.060 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -8.856 -10.659 1.643 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -7.256 -9.893 1.501 1.00 0.00 H new ATOM 1335 N CYS A 87 -5.001 -11.511 0.319 1.00 0.00 N ATOM 1336 CA CYS A 87 -3.811 -11.354 -0.499 1.00 0.00 C ATOM 1337 C CYS A 87 -3.235 -12.712 -0.896 1.00 0.00 C ATOM 1338 O CYS A 87 -2.904 -12.937 -2.061 1.00 0.00 O ATOM 1339 CB CYS A 87 -2.764 -10.533 0.253 1.00 0.00 C ATOM 1340 SG CYS A 87 -3.359 -8.914 0.793 1.00 0.00 S ATOM 0 H CYS A 87 -4.842 -11.414 1.322 1.00 0.00 H new ATOM 0 HA CYS A 87 -4.090 -10.826 -1.411 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -2.431 -11.097 1.124 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -1.894 -10.395 -0.389 1.00 0.00 H new ATOM 0 HG CYS A 87 -4.162 -9.062 1.805 1.00 0.00 H new ATOM 1346 N LEU A 88 -3.138 -13.622 0.070 1.00 0.00 N ATOM 1347 CA LEU A 88 -2.546 -14.938 -0.162 1.00 0.00 C ATOM 1348 C LEU A 88 -3.342 -15.747 -1.183 1.00 0.00 C ATOM 1349 O LEU A 88 -2.762 -16.476 -1.987 1.00 0.00 O ATOM 1350 CB LEU A 88 -2.440 -15.721 1.150 1.00 0.00 C ATOM 1351 CG LEU A 88 -1.464 -15.146 2.180 1.00 0.00 C ATOM 1352 CD1 LEU A 88 -1.472 -15.988 3.446 1.00 0.00 C ATOM 1353 CD2 LEU A 88 -0.059 -15.069 1.601 1.00 0.00 C ATOM 0 H LEU A 88 -3.463 -13.472 1.025 1.00 0.00 H new ATOM 0 HA LEU A 88 -1.547 -14.774 -0.566 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.430 -15.774 1.603 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -2.139 -16.743 0.920 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.787 -14.136 2.434 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.773 -15.566 4.168 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.475 -15.994 3.873 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.174 -17.009 3.206 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.620 -14.658 2.348 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.274 -16.068 1.319 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.063 -14.426 0.721 1.00 0.00 H new ATOM 1365 N THR A 89 -4.661 -15.600 -1.165 1.00 0.00 N ATOM 1366 CA THR A 89 -5.526 -16.360 -2.063 1.00 0.00 C ATOM 1367 C THR A 89 -5.261 -16.018 -3.530 1.00 0.00 C ATOM 1368 O THR A 89 -5.470 -16.848 -4.415 1.00 0.00 O ATOM 1369 CB THR A 89 -7.016 -16.128 -1.738 1.00 0.00 C ATOM 1370 OG1 THR A 89 -7.272 -14.729 -1.563 1.00 0.00 O ATOM 1371 CG2 THR A 89 -7.422 -16.883 -0.482 1.00 0.00 C ATOM 0 H THR A 89 -5.156 -14.963 -0.540 1.00 0.00 H new ATOM 0 HA THR A 89 -5.290 -17.413 -1.906 1.00 0.00 H new ATOM 0 HB THR A 89 -7.606 -16.502 -2.575 1.00 0.00 H new ATOM 0 HG1 THR A 89 -7.044 -14.467 -0.647 1.00 0.00 H new ATOM 0 HG21 THR A 89 -8.477 -16.703 -0.274 1.00 0.00 H new ATOM 0 HG22 THR A 89 -7.258 -17.950 -0.630 1.00 0.00 H new ATOM 0 HG23 THR A 89 -6.822 -16.537 0.360 1.00 0.00 H new ATOM 1379 N ARG A 90 -4.796 -14.800 -3.784 1.00 0.00 N ATOM 1380 CA ARG A 90 -4.465 -14.384 -5.143 1.00 0.00 C ATOM 1381 C ARG A 90 -2.960 -14.413 -5.385 1.00 0.00 C ATOM 1382 O ARG A 90 -2.502 -14.343 -6.526 1.00 0.00 O ATOM 1383 CB ARG A 90 -5.007 -12.984 -5.425 1.00 0.00 C ATOM 1384 CG ARG A 90 -6.486 -12.959 -5.757 1.00 0.00 C ATOM 1385 CD ARG A 90 -6.924 -11.575 -6.199 1.00 0.00 C ATOM 1386 NE ARG A 90 -8.165 -11.614 -6.970 1.00 0.00 N ATOM 1387 CZ ARG A 90 -8.207 -11.755 -8.295 1.00 0.00 C ATOM 1388 NH1 ARG A 90 -7.081 -11.862 -8.993 1.00 0.00 N ATOM 1389 NH2 ARG A 90 -9.371 -11.769 -8.926 1.00 0.00 N ATOM 0 H ARG A 90 -4.640 -14.087 -3.072 1.00 0.00 H new ATOM 0 HA ARG A 90 -4.935 -15.094 -5.824 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -4.828 -12.353 -4.555 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.450 -12.549 -6.255 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -6.697 -13.680 -6.547 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -7.063 -13.265 -4.884 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -7.061 -10.941 -5.323 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -6.137 -11.121 -6.801 1.00 0.00 H new ATOM 0 HE ARG A 90 -9.048 -11.529 -6.466 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -6.180 -11.836 -8.515 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -7.118 -11.970 -10.007 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -10.238 -11.672 -8.398 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -9.400 -11.877 -9.940 1.00 0.00 H new ATOM 1403 N GLY A 91 -2.194 -14.516 -4.310 1.00 0.00 N ATOM 1404 CA GLY A 91 -0.750 -14.495 -4.425 1.00 0.00 C ATOM 1405 C GLY A 91 -0.212 -13.081 -4.494 1.00 0.00 C ATOM 1406 O GLY A 91 0.838 -12.833 -5.088 1.00 0.00 O ATOM 0 H GLY A 91 -2.547 -14.614 -3.358 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -0.310 -15.010 -3.571 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -0.448 -15.043 -5.318 1.00 0.00 H new ATOM 1410 N ILE A 92 -0.938 -12.153 -3.887 1.00 0.00 N ATOM 1411 CA ILE A 92 -0.541 -10.754 -3.874 1.00 0.00 C ATOM 1412 C ILE A 92 0.514 -10.514 -2.801 1.00 0.00 C ATOM 1413 O ILE A 92 0.325 -10.883 -1.640 1.00 0.00 O ATOM 1414 CB ILE A 92 -1.747 -9.821 -3.618 1.00 0.00 C ATOM 1415 CG1 ILE A 92 -2.824 -10.035 -4.687 1.00 0.00 C ATOM 1416 CG2 ILE A 92 -1.300 -8.364 -3.594 1.00 0.00 C ATOM 1417 CD1 ILE A 92 -4.073 -9.207 -4.466 1.00 0.00 C ATOM 0 H ILE A 92 -1.810 -12.346 -3.395 1.00 0.00 H new ATOM 0 HA ILE A 92 -0.129 -10.524 -4.857 1.00 0.00 H new ATOM 0 HB ILE A 92 -2.173 -10.065 -2.645 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -2.407 -9.793 -5.664 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.097 -11.090 -4.709 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -2.162 -7.722 -3.413 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -0.568 -8.221 -2.799 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.850 -8.106 -4.553 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -4.790 -9.411 -5.261 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -4.515 -9.465 -3.504 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -3.814 -8.148 -4.474 1.00 0.00 H new ATOM 1429 N GLY A 93 1.626 -9.910 -3.198 1.00 0.00 N ATOM 1430 CA GLY A 93 2.684 -9.612 -2.257 1.00 0.00 C ATOM 1431 C GLY A 93 2.332 -8.446 -1.354 1.00 0.00 C ATOM 1432 O GLY A 93 2.450 -7.289 -1.754 1.00 0.00 O ATOM 0 H GLY A 93 1.813 -9.621 -4.158 1.00 0.00 H new ATOM 0 HA2 GLY A 93 2.886 -10.493 -1.648 1.00 0.00 H new ATOM 0 HA3 GLY A 93 3.600 -9.384 -2.802 1.00 0.00 H new ATOM 1436 N LEU A 94 1.875 -8.753 -0.149 1.00 0.00 N ATOM 1437 CA LEU A 94 1.533 -7.728 0.825 1.00 0.00 C ATOM 1438 C LEU A 94 2.676 -7.538 1.812 1.00 0.00 C ATOM 1439 O LEU A 94 2.835 -8.318 2.754 1.00 0.00 O ATOM 1440 CB LEU A 94 0.251 -8.105 1.576 1.00 0.00 C ATOM 1441 CG LEU A 94 -0.199 -7.102 2.640 1.00 0.00 C ATOM 1442 CD1 LEU A 94 -0.620 -5.790 1.998 1.00 0.00 C ATOM 1443 CD2 LEU A 94 -1.333 -7.681 3.472 1.00 0.00 C ATOM 0 H LEU A 94 1.732 -9.708 0.178 1.00 0.00 H new ATOM 0 HA LEU A 94 1.363 -6.792 0.293 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -0.554 -8.227 0.851 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.400 -9.074 2.053 1.00 0.00 H new ATOM 0 HG LEU A 94 0.644 -6.901 3.301 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.936 -5.091 2.772 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.221 -5.367 1.449 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.447 -5.970 1.312 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.641 -6.954 4.224 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.178 -7.912 2.824 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.994 -8.592 3.965 1.00 0.00 H new ATOM 1455 N GLU A 95 3.481 -6.515 1.585 1.00 0.00 N ATOM 1456 CA GLU A 95 4.609 -6.232 2.457 1.00 0.00 C ATOM 1457 C GLU A 95 4.255 -5.120 3.436 1.00 0.00 C ATOM 1458 O GLU A 95 4.105 -3.962 3.042 1.00 0.00 O ATOM 1459 CB GLU A 95 5.839 -5.843 1.634 1.00 0.00 C ATOM 1460 CG GLU A 95 6.275 -6.913 0.643 1.00 0.00 C ATOM 1461 CD GLU A 95 6.502 -8.258 1.304 1.00 0.00 C ATOM 1462 OE1 GLU A 95 7.458 -8.388 2.098 1.00 0.00 O ATOM 1463 OE2 GLU A 95 5.715 -9.192 1.050 1.00 0.00 O ATOM 0 H GLU A 95 3.375 -5.866 0.805 1.00 0.00 H new ATOM 0 HA GLU A 95 4.843 -7.134 3.023 1.00 0.00 H new ATOM 0 HB2 GLU A 95 5.626 -4.922 1.091 1.00 0.00 H new ATOM 0 HB3 GLU A 95 6.666 -5.629 2.311 1.00 0.00 H new ATOM 0 HG2 GLU A 95 5.516 -7.016 -0.133 1.00 0.00 H new ATOM 0 HG3 GLU A 95 7.193 -6.594 0.150 1.00 0.00 H new ATOM 1470 N ALA A 96 4.105 -5.477 4.705 1.00 0.00 N ATOM 1471 CA ALA A 96 3.763 -4.508 5.735 1.00 0.00 C ATOM 1472 C ALA A 96 5.022 -3.920 6.356 1.00 0.00 C ATOM 1473 O ALA A 96 5.780 -4.616 7.034 1.00 0.00 O ATOM 1474 CB ALA A 96 2.891 -5.152 6.802 1.00 0.00 C ATOM 0 H ALA A 96 4.215 -6.432 5.045 1.00 0.00 H new ATOM 0 HA ALA A 96 3.200 -3.698 5.272 1.00 0.00 H new ATOM 0 HB1 ALA A 96 2.644 -4.414 7.565 1.00 0.00 H new ATOM 0 HB2 ALA A 96 1.973 -5.524 6.346 1.00 0.00 H new ATOM 0 HB3 ALA A 96 3.430 -5.981 7.261 1.00 0.00 H new ATOM 1480 N MET A 97 5.246 -2.643 6.101 1.00 0.00 N ATOM 1481 CA MET A 97 6.413 -1.938 6.616 1.00 0.00 C ATOM 1482 C MET A 97 6.001 -0.546 7.071 1.00 0.00 C ATOM 1483 O MET A 97 4.827 -0.189 6.995 1.00 0.00 O ATOM 1484 CB MET A 97 7.496 -1.829 5.535 1.00 0.00 C ATOM 1485 CG MET A 97 8.052 -3.168 5.072 1.00 0.00 C ATOM 1486 SD MET A 97 9.255 -3.000 3.736 1.00 0.00 S ATOM 1487 CE MET A 97 8.243 -2.246 2.463 1.00 0.00 C ATOM 0 H MET A 97 4.627 -2.064 5.533 1.00 0.00 H new ATOM 0 HA MET A 97 6.819 -2.496 7.459 1.00 0.00 H new ATOM 0 HB2 MET A 97 7.083 -1.303 4.675 1.00 0.00 H new ATOM 0 HB3 MET A 97 8.316 -1.221 5.918 1.00 0.00 H new ATOM 0 HG2 MET A 97 8.521 -3.673 5.916 1.00 0.00 H new ATOM 0 HG3 MET A 97 7.230 -3.802 4.738 1.00 0.00 H new ATOM 0 HE1 MET A 97 8.846 -2.079 1.571 1.00 0.00 H new ATOM 0 HE2 MET A 97 7.411 -2.907 2.220 1.00 0.00 H new ATOM 0 HE3 MET A 97 7.856 -1.293 2.823 1.00 0.00 H new ATOM 1497 N THR A 98 6.954 0.240 7.545 1.00 0.00 N ATOM 1498 CA THR A 98 6.673 1.621 7.900 1.00 0.00 C ATOM 1499 C THR A 98 6.561 2.474 6.640 1.00 0.00 C ATOM 1500 O THR A 98 7.009 2.065 5.566 1.00 0.00 O ATOM 1501 CB THR A 98 7.757 2.207 8.828 1.00 0.00 C ATOM 1502 OG1 THR A 98 9.058 2.028 8.251 1.00 0.00 O ATOM 1503 CG2 THR A 98 7.708 1.549 10.198 1.00 0.00 C ATOM 0 H THR A 98 7.920 -0.051 7.692 1.00 0.00 H new ATOM 0 HA THR A 98 5.726 1.634 8.439 1.00 0.00 H new ATOM 0 HB THR A 98 7.561 3.273 8.945 1.00 0.00 H new ATOM 0 HG1 THR A 98 9.736 2.406 8.849 1.00 0.00 H new ATOM 0 HG21 THR A 98 8.481 1.978 10.835 1.00 0.00 H new ATOM 0 HG22 THR A 98 6.730 1.719 10.649 1.00 0.00 H new ATOM 0 HG23 THR A 98 7.877 0.477 10.093 1.00 0.00 H new ATOM 1511 N ASN A 99 5.963 3.651 6.775 1.00 0.00 N ATOM 1512 CA ASN A 99 5.783 4.565 5.646 1.00 0.00 C ATOM 1513 C ASN A 99 7.121 4.886 4.980 1.00 0.00 C ATOM 1514 O ASN A 99 7.212 4.976 3.757 1.00 0.00 O ATOM 1515 CB ASN A 99 5.099 5.862 6.106 1.00 0.00 C ATOM 1516 CG ASN A 99 5.956 6.669 7.067 1.00 0.00 C ATOM 1517 OD1 ASN A 99 6.694 7.569 6.665 1.00 0.00 O ATOM 1518 ND2 ASN A 99 5.868 6.344 8.345 1.00 0.00 N ATOM 0 H ASN A 99 5.591 4.000 7.659 1.00 0.00 H new ATOM 0 HA ASN A 99 5.145 4.070 4.914 1.00 0.00 H new ATOM 0 HB2 ASN A 99 4.865 6.473 5.234 1.00 0.00 H new ATOM 0 HB3 ASN A 99 4.152 5.617 6.588 1.00 0.00 H new ATOM 0 HD21 ASN A 99 6.424 6.845 9.038 1.00 0.00 H new ATOM 0 HD22 ASN A 99 5.244 5.592 8.638 1.00 0.00 H new ATOM 1525 N ALA A 100 8.166 5.023 5.787 1.00 0.00 N ATOM 1526 CA ALA A 100 9.477 5.380 5.268 1.00 0.00 C ATOM 1527 C ALA A 100 10.166 4.183 4.622 1.00 0.00 C ATOM 1528 O ALA A 100 11.034 4.346 3.764 1.00 0.00 O ATOM 1529 CB ALA A 100 10.338 5.984 6.368 1.00 0.00 C ATOM 0 H ALA A 100 8.130 4.893 6.798 1.00 0.00 H new ATOM 0 HA ALA A 100 9.339 6.131 4.490 1.00 0.00 H new ATOM 0 HB1 ALA A 100 11.315 6.245 5.963 1.00 0.00 H new ATOM 0 HB2 ALA A 100 9.855 6.880 6.757 1.00 0.00 H new ATOM 0 HB3 ALA A 100 10.461 5.259 7.173 1.00 0.00 H new ATOM 1535 N ALA A 101 9.771 2.982 5.017 1.00 0.00 N ATOM 1536 CA ALA A 101 10.330 1.776 4.428 1.00 0.00 C ATOM 1537 C ALA A 101 9.637 1.459 3.110 1.00 0.00 C ATOM 1538 O ALA A 101 10.289 1.167 2.108 1.00 0.00 O ATOM 1539 CB ALA A 101 10.211 0.607 5.391 1.00 0.00 C ATOM 0 H ALA A 101 9.069 2.817 5.739 1.00 0.00 H new ATOM 0 HA ALA A 101 11.388 1.947 4.228 1.00 0.00 H new ATOM 0 HB1 ALA A 101 10.635 -0.287 4.933 1.00 0.00 H new ATOM 0 HB2 ALA A 101 10.752 0.835 6.309 1.00 0.00 H new ATOM 0 HB3 ALA A 101 9.160 0.432 5.623 1.00 0.00 H new ATOM 1545 N ALA A 102 8.311 1.548 3.114 1.00 0.00 N ATOM 1546 CA ALA A 102 7.518 1.277 1.921 1.00 0.00 C ATOM 1547 C ALA A 102 7.853 2.269 0.814 1.00 0.00 C ATOM 1548 O ALA A 102 7.967 1.896 -0.355 1.00 0.00 O ATOM 1549 CB ALA A 102 6.033 1.322 2.250 1.00 0.00 C ATOM 0 H ALA A 102 7.762 1.807 3.934 1.00 0.00 H new ATOM 0 HA ALA A 102 7.763 0.276 1.565 1.00 0.00 H new ATOM 0 HB1 ALA A 102 5.454 1.118 1.349 1.00 0.00 H new ATOM 0 HB2 ALA A 102 5.805 0.571 3.006 1.00 0.00 H new ATOM 0 HB3 ALA A 102 5.775 2.310 2.631 1.00 0.00 H new ATOM 1555 N ALA A 103 8.024 3.530 1.194 1.00 0.00 N ATOM 1556 CA ALA A 103 8.382 4.580 0.249 1.00 0.00 C ATOM 1557 C ALA A 103 9.734 4.302 -0.402 1.00 0.00 C ATOM 1558 O ALA A 103 9.944 4.603 -1.579 1.00 0.00 O ATOM 1559 CB ALA A 103 8.409 5.923 0.955 1.00 0.00 C ATOM 0 H ALA A 103 7.920 3.851 2.157 1.00 0.00 H new ATOM 0 HA ALA A 103 7.628 4.600 -0.538 1.00 0.00 H new ATOM 0 HB1 ALA A 103 8.677 6.703 0.243 1.00 0.00 H new ATOM 0 HB2 ALA A 103 7.424 6.135 1.372 1.00 0.00 H new ATOM 0 HB3 ALA A 103 9.145 5.897 1.759 1.00 0.00 H new ATOM 1565 N ARG A 104 10.644 3.721 0.370 1.00 0.00 N ATOM 1566 CA ARG A 104 11.976 3.404 -0.124 1.00 0.00 C ATOM 1567 C ARG A 104 11.886 2.319 -1.193 1.00 0.00 C ATOM 1568 O ARG A 104 12.477 2.434 -2.266 1.00 0.00 O ATOM 1569 CB ARG A 104 12.870 2.929 1.027 1.00 0.00 C ATOM 1570 CG ARG A 104 14.308 3.410 0.927 1.00 0.00 C ATOM 1571 CD ARG A 104 14.404 4.904 1.197 1.00 0.00 C ATOM 1572 NE ARG A 104 15.778 5.401 1.131 1.00 0.00 N ATOM 1573 CZ ARG A 104 16.334 6.178 2.062 1.00 0.00 C ATOM 1574 NH1 ARG A 104 15.673 6.471 3.174 1.00 0.00 N ATOM 1575 NH2 ARG A 104 17.563 6.649 1.894 1.00 0.00 N ATOM 0 H ARG A 104 10.482 3.460 1.343 1.00 0.00 H new ATOM 0 HA ARG A 104 12.413 4.302 -0.560 1.00 0.00 H new ATOM 0 HB2 ARG A 104 12.446 3.274 1.970 1.00 0.00 H new ATOM 0 HB3 ARG A 104 12.862 1.839 1.054 1.00 0.00 H new ATOM 0 HG2 ARG A 104 14.927 2.867 1.641 1.00 0.00 H new ATOM 0 HG3 ARG A 104 14.700 3.190 -0.066 1.00 0.00 H new ATOM 0 HD2 ARG A 104 13.792 5.440 0.472 1.00 0.00 H new ATOM 0 HD3 ARG A 104 13.991 5.118 2.183 1.00 0.00 H new ATOM 0 HE ARG A 104 16.345 5.138 0.325 1.00 0.00 H new ATOM 0 HH11 ARG A 104 14.734 6.102 3.321 1.00 0.00 H new ATOM 0 HH12 ARG A 104 16.104 7.066 3.882 1.00 0.00 H new ATOM 0 HH21 ARG A 104 18.087 6.417 1.050 1.00 0.00 H new ATOM 0 HH22 ARG A 104 17.984 7.243 2.609 1.00 0.00 H new ATOM 1589 N THR A 105 11.118 1.280 -0.891 1.00 0.00 N ATOM 1590 CA THR A 105 10.935 0.158 -1.798 1.00 0.00 C ATOM 1591 C THR A 105 10.156 0.572 -3.051 1.00 0.00 C ATOM 1592 O THR A 105 10.426 0.087 -4.154 1.00 0.00 O ATOM 1593 CB THR A 105 10.190 -0.986 -1.082 1.00 0.00 C ATOM 1594 OG1 THR A 105 10.829 -1.266 0.172 1.00 0.00 O ATOM 1595 CG2 THR A 105 10.165 -2.247 -1.931 1.00 0.00 C ATOM 0 H THR A 105 10.607 1.193 -0.013 1.00 0.00 H new ATOM 0 HA THR A 105 11.923 -0.184 -2.107 1.00 0.00 H new ATOM 0 HB THR A 105 9.161 -0.667 -0.914 1.00 0.00 H new ATOM 0 HG1 THR A 105 10.584 -0.577 0.825 1.00 0.00 H new ATOM 0 HG21 THR A 105 9.632 -3.034 -1.397 1.00 0.00 H new ATOM 0 HG22 THR A 105 9.658 -2.041 -2.874 1.00 0.00 H new ATOM 0 HG23 THR A 105 11.186 -2.571 -2.131 1.00 0.00 H new ATOM 1603 N TYR A 106 9.206 1.487 -2.877 1.00 0.00 N ATOM 1604 CA TYR A 106 8.371 1.956 -3.979 1.00 0.00 C ATOM 1605 C TYR A 106 9.218 2.591 -5.081 1.00 0.00 C ATOM 1606 O TYR A 106 8.921 2.444 -6.266 1.00 0.00 O ATOM 1607 CB TYR A 106 7.330 2.959 -3.469 1.00 0.00 C ATOM 1608 CG TYR A 106 6.348 3.417 -4.527 1.00 0.00 C ATOM 1609 CD1 TYR A 106 5.276 2.615 -4.898 1.00 0.00 C ATOM 1610 CD2 TYR A 106 6.491 4.651 -5.152 1.00 0.00 C ATOM 1611 CE1 TYR A 106 4.375 3.029 -5.861 1.00 0.00 C ATOM 1612 CE2 TYR A 106 5.593 5.071 -6.115 1.00 0.00 C ATOM 1613 CZ TYR A 106 4.537 4.255 -6.466 1.00 0.00 C ATOM 1614 OH TYR A 106 3.643 4.669 -7.426 1.00 0.00 O ATOM 0 H TYR A 106 8.995 1.920 -1.978 1.00 0.00 H new ATOM 0 HA TYR A 106 7.856 1.093 -4.401 1.00 0.00 H new ATOM 0 HB2 TYR A 106 6.777 2.507 -2.646 1.00 0.00 H new ATOM 0 HB3 TYR A 106 7.846 3.830 -3.065 1.00 0.00 H new ATOM 0 HD1 TYR A 106 5.144 1.652 -4.426 1.00 0.00 H new ATOM 0 HD2 TYR A 106 7.317 5.291 -4.881 1.00 0.00 H new ATOM 0 HE1 TYR A 106 3.547 2.393 -6.138 1.00 0.00 H new ATOM 0 HE2 TYR A 106 5.717 6.033 -6.590 1.00 0.00 H new ATOM 0 HH TYR A 106 3.900 5.557 -7.751 1.00 0.00 H new ATOM 1624 N ASN A 107 10.286 3.276 -4.683 1.00 0.00 N ATOM 1625 CA ASN A 107 11.174 3.934 -5.636 1.00 0.00 C ATOM 1626 C ASN A 107 11.935 2.915 -6.479 1.00 0.00 C ATOM 1627 O ASN A 107 12.440 3.236 -7.554 1.00 0.00 O ATOM 1628 CB ASN A 107 12.157 4.852 -4.903 1.00 0.00 C ATOM 1629 CG ASN A 107 11.595 6.241 -4.656 1.00 0.00 C ATOM 1630 OD1 ASN A 107 11.755 7.143 -5.480 1.00 0.00 O ATOM 1631 ND2 ASN A 107 10.938 6.428 -3.522 1.00 0.00 N ATOM 0 H ASN A 107 10.558 3.390 -3.706 1.00 0.00 H new ATOM 0 HA ASN A 107 10.559 4.535 -6.306 1.00 0.00 H new ATOM 0 HB2 ASN A 107 12.427 4.399 -3.949 1.00 0.00 H new ATOM 0 HB3 ASN A 107 13.074 4.935 -5.487 1.00 0.00 H new ATOM 0 HD21 ASN A 107 10.544 7.344 -3.306 1.00 0.00 H new ATOM 0 HD22 ASN A 107 10.826 5.656 -2.864 1.00 0.00 H new ATOM 1638 N VAL A 108 12.004 1.683 -5.992 1.00 0.00 N ATOM 1639 CA VAL A 108 12.685 0.612 -6.706 1.00 0.00 C ATOM 1640 C VAL A 108 11.704 -0.140 -7.603 1.00 0.00 C ATOM 1641 O VAL A 108 11.979 -0.383 -8.781 1.00 0.00 O ATOM 1642 CB VAL A 108 13.348 -0.384 -5.731 1.00 0.00 C ATOM 1643 CG1 VAL A 108 14.109 -1.464 -6.490 1.00 0.00 C ATOM 1644 CG2 VAL A 108 14.271 0.345 -4.766 1.00 0.00 C ATOM 0 H VAL A 108 11.595 1.400 -5.102 1.00 0.00 H new ATOM 0 HA VAL A 108 13.462 1.071 -7.317 1.00 0.00 H new ATOM 0 HB VAL A 108 12.560 -0.868 -5.154 1.00 0.00 H new ATOM 0 HG11 VAL A 108 14.567 -2.153 -5.781 1.00 0.00 H new ATOM 0 HG12 VAL A 108 13.420 -2.011 -7.134 1.00 0.00 H new ATOM 0 HG13 VAL A 108 14.885 -1.002 -7.100 1.00 0.00 H new ATOM 0 HG21 VAL A 108 14.729 -0.374 -4.087 1.00 0.00 H new ATOM 0 HG22 VAL A 108 15.050 0.861 -5.327 1.00 0.00 H new ATOM 0 HG23 VAL A 108 13.696 1.071 -4.191 1.00 0.00 H new ATOM 1654 N LEU A 109 10.549 -0.486 -7.044 1.00 0.00 N ATOM 1655 CA LEU A 109 9.535 -1.249 -7.772 1.00 0.00 C ATOM 1656 C LEU A 109 8.950 -0.447 -8.930 1.00 0.00 C ATOM 1657 O LEU A 109 8.406 -1.015 -9.877 1.00 0.00 O ATOM 1658 CB LEU A 109 8.413 -1.686 -6.826 1.00 0.00 C ATOM 1659 CG LEU A 109 8.829 -2.675 -5.735 1.00 0.00 C ATOM 1660 CD1 LEU A 109 7.644 -3.020 -4.849 1.00 0.00 C ATOM 1661 CD2 LEU A 109 9.416 -3.937 -6.355 1.00 0.00 C ATOM 0 H LEU A 109 10.289 -0.250 -6.086 1.00 0.00 H new ATOM 0 HA LEU A 109 10.025 -2.131 -8.184 1.00 0.00 H new ATOM 0 HB2 LEU A 109 7.995 -0.799 -6.350 1.00 0.00 H new ATOM 0 HB3 LEU A 109 7.616 -2.136 -7.417 1.00 0.00 H new ATOM 0 HG LEU A 109 9.595 -2.205 -5.118 1.00 0.00 H new ATOM 0 HD11 LEU A 109 7.958 -3.724 -4.079 1.00 0.00 H new ATOM 0 HD12 LEU A 109 7.265 -2.113 -4.378 1.00 0.00 H new ATOM 0 HD13 LEU A 109 6.857 -3.471 -5.453 1.00 0.00 H new ATOM 0 HD21 LEU A 109 9.707 -4.629 -5.565 1.00 0.00 H new ATOM 0 HD22 LEU A 109 8.670 -4.409 -6.995 1.00 0.00 H new ATOM 0 HD23 LEU A 109 10.292 -3.677 -6.950 1.00 0.00 H new ATOM 1673 N ALA A 110 9.069 0.874 -8.852 1.00 0.00 N ATOM 1674 CA ALA A 110 8.565 1.755 -9.899 1.00 0.00 C ATOM 1675 C ALA A 110 9.243 1.473 -11.239 1.00 0.00 C ATOM 1676 O ALA A 110 8.643 1.652 -12.297 1.00 0.00 O ATOM 1677 CB ALA A 110 8.762 3.211 -9.502 1.00 0.00 C ATOM 0 H ALA A 110 9.512 1.359 -8.072 1.00 0.00 H new ATOM 0 HA ALA A 110 7.499 1.560 -10.017 1.00 0.00 H new ATOM 0 HB1 ALA A 110 8.382 3.858 -10.292 1.00 0.00 H new ATOM 0 HB2 ALA A 110 8.222 3.412 -8.577 1.00 0.00 H new ATOM 0 HB3 ALA A 110 9.824 3.407 -9.352 1.00 0.00 H new ATOM 1683 N SER A 111 10.487 1.009 -11.185 1.00 0.00 N ATOM 1684 CA SER A 111 11.255 0.733 -12.394 1.00 0.00 C ATOM 1685 C SER A 111 10.810 -0.573 -13.055 1.00 0.00 C ATOM 1686 O SER A 111 11.183 -0.862 -14.194 1.00 0.00 O ATOM 1687 CB SER A 111 12.745 0.683 -12.063 1.00 0.00 C ATOM 1688 OG SER A 111 13.176 1.916 -11.507 1.00 0.00 O ATOM 0 H SER A 111 10.985 0.816 -10.316 1.00 0.00 H new ATOM 0 HA SER A 111 11.072 1.540 -13.104 1.00 0.00 H new ATOM 0 HB2 SER A 111 12.940 -0.127 -11.360 1.00 0.00 H new ATOM 0 HB3 SER A 111 13.316 0.466 -12.966 1.00 0.00 H new ATOM 0 HG SER A 111 14.132 1.865 -11.300 1.00 0.00 H new ATOM 1694 N GLU A 112 10.010 -1.358 -12.344 1.00 0.00 N ATOM 1695 CA GLU A 112 9.484 -2.595 -12.897 1.00 0.00 C ATOM 1696 C GLU A 112 8.268 -2.298 -13.767 1.00 0.00 C ATOM 1697 O GLU A 112 8.027 -2.964 -14.774 1.00 0.00 O ATOM 1698 CB GLU A 112 9.119 -3.576 -11.778 1.00 0.00 C ATOM 1699 CG GLU A 112 8.606 -4.915 -12.283 1.00 0.00 C ATOM 1700 CD GLU A 112 9.596 -5.621 -13.188 1.00 0.00 C ATOM 1701 OE1 GLU A 112 9.590 -5.353 -14.410 1.00 0.00 O ATOM 1702 OE2 GLU A 112 10.380 -6.445 -12.685 1.00 0.00 O ATOM 0 H GLU A 112 9.714 -1.160 -11.388 1.00 0.00 H new ATOM 0 HA GLU A 112 10.254 -3.058 -13.514 1.00 0.00 H new ATOM 0 HB2 GLU A 112 9.997 -3.745 -11.154 1.00 0.00 H new ATOM 0 HB3 GLU A 112 8.359 -3.122 -11.142 1.00 0.00 H new ATOM 0 HG2 GLU A 112 8.378 -5.556 -11.431 1.00 0.00 H new ATOM 0 HG3 GLU A 112 7.673 -4.760 -12.824 1.00 0.00 H new ATOM 1709 N GLY A 113 7.513 -1.281 -13.380 1.00 0.00 N ATOM 1710 CA GLY A 113 6.350 -0.884 -14.149 1.00 0.00 C ATOM 1711 C GLY A 113 5.148 -1.769 -13.888 1.00 0.00 C ATOM 1712 O GLY A 113 4.164 -1.729 -14.629 1.00 0.00 O ATOM 0 H GLY A 113 7.685 -0.721 -12.545 1.00 0.00 H new ATOM 0 HA2 GLY A 113 6.095 0.148 -13.909 1.00 0.00 H new ATOM 0 HA3 GLY A 113 6.594 -0.913 -15.211 1.00 0.00 H new ATOM 1716 N ARG A 114 5.233 -2.580 -12.845 1.00 0.00 N ATOM 1717 CA ARG A 114 4.118 -3.420 -12.446 1.00 0.00 C ATOM 1718 C ARG A 114 3.167 -2.640 -11.557 1.00 0.00 C ATOM 1719 O ARG A 114 3.540 -1.615 -10.982 1.00 0.00 O ATOM 1720 CB ARG A 114 4.604 -4.672 -11.717 1.00 0.00 C ATOM 1721 CG ARG A 114 5.107 -5.759 -12.647 1.00 0.00 C ATOM 1722 CD ARG A 114 5.508 -7.006 -11.878 1.00 0.00 C ATOM 1723 NE ARG A 114 5.743 -8.142 -12.766 1.00 0.00 N ATOM 1724 CZ ARG A 114 6.505 -9.187 -12.454 1.00 0.00 C ATOM 1725 NH1 ARG A 114 7.142 -9.224 -11.290 1.00 0.00 N ATOM 1726 NH2 ARG A 114 6.638 -10.195 -13.307 1.00 0.00 N ATOM 0 H ARG A 114 6.063 -2.673 -12.260 1.00 0.00 H new ATOM 0 HA ARG A 114 3.592 -3.733 -13.348 1.00 0.00 H new ATOM 0 HB2 ARG A 114 5.403 -4.395 -11.030 1.00 0.00 H new ATOM 0 HB3 ARG A 114 3.789 -5.070 -11.113 1.00 0.00 H new ATOM 0 HG2 ARG A 114 4.330 -6.010 -13.370 1.00 0.00 H new ATOM 0 HG3 ARG A 114 5.962 -5.389 -13.213 1.00 0.00 H new ATOM 0 HD2 ARG A 114 6.411 -6.803 -11.302 1.00 0.00 H new ATOM 0 HD3 ARG A 114 4.725 -7.260 -11.164 1.00 0.00 H new ATOM 0 HE ARG A 114 5.295 -8.133 -13.682 1.00 0.00 H new ATOM 0 HH11 ARG A 114 7.048 -8.450 -10.632 1.00 0.00 H new ATOM 0 HH12 ARG A 114 7.726 -10.026 -11.053 1.00 0.00 H new ATOM 0 HH21 ARG A 114 6.155 -10.170 -14.205 1.00 0.00 H new ATOM 0 HH22 ARG A 114 7.223 -10.995 -13.064 1.00 0.00 H new ATOM 1740 N ARG A 115 1.940 -3.124 -11.441 1.00 0.00 N ATOM 1741 CA ARG A 115 0.945 -2.451 -10.632 1.00 0.00 C ATOM 1742 C ARG A 115 1.174 -2.724 -9.154 1.00 0.00 C ATOM 1743 O ARG A 115 0.736 -3.743 -8.600 1.00 0.00 O ATOM 1744 CB ARG A 115 -0.471 -2.843 -11.057 1.00 0.00 C ATOM 1745 CG ARG A 115 -0.830 -2.346 -12.451 1.00 0.00 C ATOM 1746 CD ARG A 115 -2.292 -2.596 -12.778 1.00 0.00 C ATOM 1747 NE ARG A 115 -2.613 -4.019 -12.800 1.00 0.00 N ATOM 1748 CZ ARG A 115 -3.769 -4.525 -12.382 1.00 0.00 C ATOM 1749 NH1 ARG A 115 -4.724 -3.723 -11.921 1.00 0.00 N ATOM 1750 NH2 ARG A 115 -3.975 -5.833 -12.436 1.00 0.00 N ATOM 0 H ARG A 115 1.614 -3.977 -11.896 1.00 0.00 H new ATOM 0 HA ARG A 115 1.050 -1.378 -10.794 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -0.566 -3.928 -11.028 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -1.185 -2.441 -10.338 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -0.619 -1.279 -12.522 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -0.202 -2.846 -13.188 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -2.919 -2.095 -12.041 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -2.527 -2.157 -13.748 1.00 0.00 H new ATOM 0 HE ARG A 115 -1.908 -4.664 -13.157 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -4.571 -2.715 -11.887 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -5.609 -4.116 -11.601 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -3.247 -6.449 -12.798 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -4.861 -6.223 -12.116 1.00 0.00 H new ATOM 1764 N VAL A 116 1.918 -1.819 -8.544 1.00 0.00 N ATOM 1765 CA VAL A 116 2.157 -1.845 -7.119 1.00 0.00 C ATOM 1766 C VAL A 116 1.240 -0.846 -6.425 1.00 0.00 C ATOM 1767 O VAL A 116 1.137 0.309 -6.834 1.00 0.00 O ATOM 1768 CB VAL A 116 3.641 -1.537 -6.790 1.00 0.00 C ATOM 1769 CG1 VAL A 116 4.095 -0.239 -7.447 1.00 0.00 C ATOM 1770 CG2 VAL A 116 3.865 -1.482 -5.284 1.00 0.00 C ATOM 0 H VAL A 116 2.373 -1.045 -9.027 1.00 0.00 H new ATOM 0 HA VAL A 116 1.939 -2.848 -6.753 1.00 0.00 H new ATOM 0 HB VAL A 116 4.244 -2.349 -7.197 1.00 0.00 H new ATOM 0 HG11 VAL A 116 5.139 -0.051 -7.198 1.00 0.00 H new ATOM 0 HG12 VAL A 116 3.990 -0.322 -8.529 1.00 0.00 H new ATOM 0 HG13 VAL A 116 3.481 0.586 -7.085 1.00 0.00 H new ATOM 0 HG21 VAL A 116 4.913 -1.265 -5.080 1.00 0.00 H new ATOM 0 HG22 VAL A 116 3.241 -0.700 -4.852 1.00 0.00 H new ATOM 0 HG23 VAL A 116 3.601 -2.442 -4.842 1.00 0.00 H new ATOM 1780 N ALA A 117 0.545 -1.309 -5.406 1.00 0.00 N ATOM 1781 CA ALA A 117 -0.326 -0.447 -4.634 1.00 0.00 C ATOM 1782 C ALA A 117 0.389 0.034 -3.388 1.00 0.00 C ATOM 1783 O ALA A 117 0.616 -0.739 -2.457 1.00 0.00 O ATOM 1784 CB ALA A 117 -1.609 -1.175 -4.268 1.00 0.00 C ATOM 0 H ALA A 117 0.567 -2.280 -5.093 1.00 0.00 H new ATOM 0 HA ALA A 117 -0.588 0.419 -5.241 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -2.251 -0.512 -3.688 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -2.128 -1.478 -5.178 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -1.370 -2.058 -3.675 1.00 0.00 H new ATOM 1790 N LEU A 118 0.772 1.299 -3.379 1.00 0.00 N ATOM 1791 CA LEU A 118 1.415 1.876 -2.218 1.00 0.00 C ATOM 1792 C LEU A 118 0.356 2.405 -1.265 1.00 0.00 C ATOM 1793 O LEU A 118 -0.034 3.570 -1.327 1.00 0.00 O ATOM 1794 CB LEU A 118 2.371 2.999 -2.631 1.00 0.00 C ATOM 1795 CG LEU A 118 3.197 3.605 -1.495 1.00 0.00 C ATOM 1796 CD1 LEU A 118 4.149 2.572 -0.914 1.00 0.00 C ATOM 1797 CD2 LEU A 118 3.965 4.822 -1.986 1.00 0.00 C ATOM 0 H LEU A 118 0.648 1.942 -4.161 1.00 0.00 H new ATOM 0 HA LEU A 118 1.999 1.105 -1.716 1.00 0.00 H new ATOM 0 HB2 LEU A 118 3.053 2.613 -3.388 1.00 0.00 H new ATOM 0 HB3 LEU A 118 1.791 3.794 -3.100 1.00 0.00 H new ATOM 0 HG LEU A 118 2.515 3.923 -0.707 1.00 0.00 H new ATOM 0 HD11 LEU A 118 4.727 3.023 -0.108 1.00 0.00 H new ATOM 0 HD12 LEU A 118 3.578 1.730 -0.524 1.00 0.00 H new ATOM 0 HD13 LEU A 118 4.826 2.222 -1.694 1.00 0.00 H new ATOM 0 HD21 LEU A 118 4.547 5.240 -1.165 1.00 0.00 H new ATOM 0 HD22 LEU A 118 4.636 4.528 -2.793 1.00 0.00 H new ATOM 0 HD23 LEU A 118 3.263 5.572 -2.352 1.00 0.00 H new ATOM 1809 N ALA A 119 -0.143 1.525 -0.414 1.00 0.00 N ATOM 1810 CA ALA A 119 -1.179 1.886 0.535 1.00 0.00 C ATOM 1811 C ALA A 119 -0.557 2.189 1.888 1.00 0.00 C ATOM 1812 O ALA A 119 -0.279 1.285 2.674 1.00 0.00 O ATOM 1813 CB ALA A 119 -2.212 0.775 0.650 1.00 0.00 C ATOM 0 H ALA A 119 0.155 0.551 -0.362 1.00 0.00 H new ATOM 0 HA ALA A 119 -1.689 2.781 0.177 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -2.980 1.065 1.367 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -2.671 0.602 -0.324 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -1.726 -0.140 0.990 1.00 0.00 H new ATOM 1819 N MET A 120 -0.315 3.460 2.142 1.00 0.00 N ATOM 1820 CA MET A 120 0.332 3.863 3.371 1.00 0.00 C ATOM 1821 C MET A 120 -0.624 4.638 4.254 1.00 0.00 C ATOM 1822 O MET A 120 -1.185 5.656 3.850 1.00 0.00 O ATOM 1823 CB MET A 120 1.589 4.690 3.093 1.00 0.00 C ATOM 1824 CG MET A 120 2.683 3.905 2.383 1.00 0.00 C ATOM 1825 SD MET A 120 4.268 4.767 2.366 1.00 0.00 S ATOM 1826 CE MET A 120 3.846 6.257 1.470 1.00 0.00 C ATOM 0 H MET A 120 -0.556 4.228 1.515 1.00 0.00 H new ATOM 0 HA MET A 120 0.633 2.957 3.897 1.00 0.00 H new ATOM 0 HB2 MET A 120 1.320 5.554 2.486 1.00 0.00 H new ATOM 0 HB3 MET A 120 1.980 5.072 4.036 1.00 0.00 H new ATOM 0 HG2 MET A 120 2.806 2.939 2.872 1.00 0.00 H new ATOM 0 HG3 MET A 120 2.373 3.705 1.357 1.00 0.00 H new ATOM 0 HE1 MET A 120 4.737 6.654 0.983 1.00 0.00 H new ATOM 0 HE2 MET A 120 3.093 6.027 0.716 1.00 0.00 H new ATOM 0 HE3 MET A 120 3.451 6.999 2.164 1.00 0.00 H new ATOM 1836 N ILE A 121 -0.813 4.129 5.457 1.00 0.00 N ATOM 1837 CA ILE A 121 -1.615 4.797 6.460 1.00 0.00 C ATOM 1838 C ILE A 121 -0.710 5.674 7.309 1.00 0.00 C ATOM 1839 O ILE A 121 0.017 5.179 8.170 1.00 0.00 O ATOM 1840 CB ILE A 121 -2.350 3.774 7.353 1.00 0.00 C ATOM 1841 CG1 ILE A 121 -3.247 2.878 6.492 1.00 0.00 C ATOM 1842 CG2 ILE A 121 -3.166 4.485 8.425 1.00 0.00 C ATOM 1843 CD1 ILE A 121 -3.906 1.752 7.259 1.00 0.00 C ATOM 0 H ILE A 121 -0.415 3.242 5.764 1.00 0.00 H new ATOM 0 HA ILE A 121 -2.368 5.409 5.963 1.00 0.00 H new ATOM 0 HB ILE A 121 -1.610 3.149 7.854 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -4.021 3.491 6.030 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -2.652 2.454 5.683 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -3.676 3.747 9.044 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -2.503 5.085 9.049 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -3.903 5.133 7.951 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -4.524 1.163 6.581 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -3.139 1.114 7.698 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -4.530 2.167 8.050 1.00 0.00 H new ATOM 1855 N VAL A 122 -0.721 6.965 7.033 1.00 0.00 N ATOM 1856 CA VAL A 122 0.171 7.887 7.713 1.00 0.00 C ATOM 1857 C VAL A 122 -0.470 8.409 8.991 1.00 0.00 C ATOM 1858 O VAL A 122 -1.643 8.777 9.003 1.00 0.00 O ATOM 1859 CB VAL A 122 0.557 9.073 6.804 1.00 0.00 C ATOM 1860 CG1 VAL A 122 1.555 9.987 7.497 1.00 0.00 C ATOM 1861 CG2 VAL A 122 1.121 8.571 5.483 1.00 0.00 C ATOM 0 H VAL A 122 -1.336 7.399 6.344 1.00 0.00 H new ATOM 0 HA VAL A 122 1.078 7.337 7.964 1.00 0.00 H new ATOM 0 HB VAL A 122 -0.345 9.650 6.599 1.00 0.00 H new ATOM 0 HG11 VAL A 122 1.811 10.815 6.835 1.00 0.00 H new ATOM 0 HG12 VAL A 122 1.114 10.378 8.414 1.00 0.00 H new ATOM 0 HG13 VAL A 122 2.457 9.424 7.739 1.00 0.00 H new ATOM 0 HG21 VAL A 122 1.388 9.421 4.855 1.00 0.00 H new ATOM 0 HG22 VAL A 122 2.008 7.967 5.672 1.00 0.00 H new ATOM 0 HG23 VAL A 122 0.371 7.965 4.974 1.00 0.00 H new ATOM 1871 N GLY A 123 0.303 8.415 10.068 1.00 0.00 N ATOM 1872 CA GLY A 123 -0.191 8.920 11.327 1.00 0.00 C ATOM 1873 C GLY A 123 0.467 8.248 12.509 1.00 0.00 C ATOM 1874 O GLY A 123 1.571 7.712 12.395 1.00 0.00 O ATOM 0 H GLY A 123 1.265 8.078 10.089 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -0.017 9.995 11.379 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -1.269 8.769 11.379 1.00 0.00 H new ATOM 1878 N GLY A 124 -0.223 8.271 13.638 1.00 0.00 N ATOM 1879 CA GLY A 124 0.298 7.694 14.861 1.00 0.00 C ATOM 1880 C GLY A 124 -0.505 8.160 16.053 1.00 0.00 C ATOM 1881 O GLY A 124 -1.144 7.355 16.732 1.00 0.00 O ATOM 0 H GLY A 124 -1.150 8.686 13.730 1.00 0.00 H new ATOM 0 HA2 GLY A 124 0.268 6.606 14.798 1.00 0.00 H new ATOM 0 HA3 GLY A 124 1.343 7.977 14.987 1.00 0.00 H new ATOM 1885 N LEU A 125 -0.475 9.472 16.280 1.00 0.00 N ATOM 1886 CA LEU A 125 -1.291 10.128 17.301 1.00 0.00 C ATOM 1887 C LEU A 125 -0.966 9.625 18.703 1.00 0.00 C ATOM 1888 O LEU A 125 -1.505 8.618 19.164 1.00 0.00 O ATOM 1889 CB LEU A 125 -2.785 9.945 17.006 1.00 0.00 C ATOM 1890 CG LEU A 125 -3.259 10.525 15.670 1.00 0.00 C ATOM 1891 CD1 LEU A 125 -4.739 10.248 15.463 1.00 0.00 C ATOM 1892 CD2 LEU A 125 -2.982 12.021 15.608 1.00 0.00 C ATOM 0 H LEU A 125 0.120 10.114 15.757 1.00 0.00 H new ATOM 0 HA LEU A 125 -1.051 11.191 17.267 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -3.015 8.880 17.024 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -3.358 10.409 17.809 1.00 0.00 H new ATOM 0 HG LEU A 125 -2.703 10.039 14.868 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -5.058 10.667 14.509 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -4.911 9.172 15.462 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -5.311 10.706 16.270 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -3.326 12.415 14.652 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -3.511 12.523 16.418 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -1.911 12.197 15.710 1.00 0.00 H new ATOM 1904 N GLU A 126 -0.080 10.338 19.378 1.00 0.00 N ATOM 1905 CA GLU A 126 0.296 9.998 20.739 1.00 0.00 C ATOM 1906 C GLU A 126 -0.105 11.131 21.671 1.00 0.00 C ATOM 1907 O GLU A 126 0.404 11.239 22.784 1.00 0.00 O ATOM 1908 CB GLU A 126 1.806 9.755 20.866 1.00 0.00 C ATOM 1909 CG GLU A 126 2.392 8.815 19.822 1.00 0.00 C ATOM 1910 CD GLU A 126 2.601 9.494 18.485 1.00 0.00 C ATOM 1911 OE1 GLU A 126 2.891 10.712 18.471 1.00 0.00 O ATOM 1912 OE2 GLU A 126 2.486 8.819 17.444 1.00 0.00 O ATOM 0 H GLU A 126 0.394 11.160 19.003 1.00 0.00 H new ATOM 0 HA GLU A 126 -0.221 9.078 21.010 1.00 0.00 H new ATOM 0 HB2 GLU A 126 2.321 10.714 20.801 1.00 0.00 H new ATOM 0 HB3 GLU A 126 2.012 9.349 21.856 1.00 0.00 H new ATOM 0 HG2 GLU A 126 3.345 8.426 20.181 1.00 0.00 H new ATOM 0 HG3 GLU A 126 1.727 7.961 19.692 1.00 0.00 H new ATOM 1919 N HIS A 127 -1.040 11.963 21.216 1.00 0.00 N ATOM 1920 CA HIS A 127 -1.448 13.148 21.971 1.00 0.00 C ATOM 1921 C HIS A 127 -2.224 12.778 23.233 1.00 0.00 C ATOM 1922 O HIS A 127 -2.579 13.649 24.028 1.00 0.00 O ATOM 1923 CB HIS A 127 -2.250 14.133 21.102 1.00 0.00 C ATOM 1924 CG HIS A 127 -3.494 13.575 20.475 1.00 0.00 C ATOM 1925 ND1 HIS A 127 -4.745 13.706 21.033 1.00 0.00 N ATOM 1926 CD2 HIS A 127 -3.675 12.912 19.309 1.00 0.00 C ATOM 1927 CE1 HIS A 127 -5.638 13.147 20.241 1.00 0.00 C ATOM 1928 NE2 HIS A 127 -5.018 12.657 19.185 1.00 0.00 N ATOM 0 H HIS A 127 -1.529 11.839 20.330 1.00 0.00 H new ATOM 0 HA HIS A 127 -0.532 13.651 22.281 1.00 0.00 H new ATOM 0 HB2 HIS A 127 -2.526 14.990 21.716 1.00 0.00 H new ATOM 0 HB3 HIS A 127 -1.600 14.504 20.310 1.00 0.00 H new ATOM 0 HD2 HIS A 127 -2.904 12.635 18.605 1.00 0.00 H new ATOM 0 HE1 HIS A 127 -6.701 13.098 20.426 1.00 0.00 H new ATOM 0 HE2 HIS A 127 -5.462 12.170 18.407 1.00 0.00 H new ATOM 1937 N HIS A 128 -2.484 11.487 23.416 1.00 0.00 N ATOM 1938 CA HIS A 128 -3.012 10.988 24.682 1.00 0.00 C ATOM 1939 C HIS A 128 -1.949 11.167 25.765 1.00 0.00 C ATOM 1940 O HIS A 128 -2.254 11.309 26.948 1.00 0.00 O ATOM 1941 CB HIS A 128 -3.402 9.510 24.564 1.00 0.00 C ATOM 1942 CG HIS A 128 -4.069 8.959 25.789 1.00 0.00 C ATOM 1943 ND1 HIS A 128 -3.398 8.258 26.768 1.00 0.00 N ATOM 1944 CD2 HIS A 128 -5.359 9.014 26.191 1.00 0.00 C ATOM 1945 CE1 HIS A 128 -4.247 7.909 27.715 1.00 0.00 C ATOM 1946 NE2 HIS A 128 -5.444 8.356 27.392 1.00 0.00 N ATOM 0 H HIS A 128 -2.338 10.769 22.706 1.00 0.00 H new ATOM 0 HA HIS A 128 -3.907 11.551 24.945 1.00 0.00 H new ATOM 0 HB2 HIS A 128 -4.070 9.387 23.712 1.00 0.00 H new ATOM 0 HB3 HIS A 128 -2.507 8.924 24.354 1.00 0.00 H new ATOM 0 HD2 HIS A 128 -6.173 9.489 25.663 1.00 0.00 H new ATOM 0 HE1 HIS A 128 -4.002 7.350 28.606 1.00 0.00 H new ATOM 0 HE2 HIS A 128 -6.293 8.233 27.944 1.00 0.00 H new ATOM 1955 N HIS A 129 -0.697 11.156 25.330 1.00 0.00 N ATOM 1956 CA HIS A 129 0.438 11.405 26.200 1.00 0.00 C ATOM 1957 C HIS A 129 1.381 12.383 25.510 1.00 0.00 C ATOM 1958 O HIS A 129 2.367 11.987 24.887 1.00 0.00 O ATOM 1959 CB HIS A 129 1.167 10.096 26.532 1.00 0.00 C ATOM 1960 CG HIS A 129 2.318 10.259 27.482 1.00 0.00 C ATOM 1961 ND1 HIS A 129 2.163 10.341 28.847 1.00 0.00 N ATOM 1962 CD2 HIS A 129 3.649 10.358 27.253 1.00 0.00 C ATOM 1963 CE1 HIS A 129 3.346 10.482 29.415 1.00 0.00 C ATOM 1964 NE2 HIS A 129 4.267 10.496 28.470 1.00 0.00 N ATOM 0 H HIS A 129 -0.441 10.973 24.360 1.00 0.00 H new ATOM 0 HA HIS A 129 0.088 11.835 27.138 1.00 0.00 H new ATOM 0 HB2 HIS A 129 0.452 9.394 26.961 1.00 0.00 H new ATOM 0 HB3 HIS A 129 1.534 9.652 25.606 1.00 0.00 H new ATOM 0 HD2 HIS A 129 4.135 10.333 26.289 1.00 0.00 H new ATOM 0 HE1 HIS A 129 3.530 10.571 30.476 1.00 0.00 H new ATOM 0 HE2 HIS A 129 5.271 10.593 28.620 1.00 0.00 H new ATOM 1973 N HIS A 130 1.051 13.659 25.588 1.00 0.00 N ATOM 1974 CA HIS A 130 1.831 14.682 24.915 1.00 0.00 C ATOM 1975 C HIS A 130 2.149 15.818 25.871 1.00 0.00 C ATOM 1976 O HIS A 130 1.264 16.571 26.265 1.00 0.00 O ATOM 1977 CB HIS A 130 1.077 15.219 23.693 1.00 0.00 C ATOM 1978 CG HIS A 130 1.915 16.089 22.804 1.00 0.00 C ATOM 1979 ND1 HIS A 130 2.003 17.456 22.947 1.00 0.00 N ATOM 1980 CD2 HIS A 130 2.713 15.773 21.757 1.00 0.00 C ATOM 1981 CE1 HIS A 130 2.816 17.941 22.029 1.00 0.00 C ATOM 1982 NE2 HIS A 130 3.262 16.941 21.298 1.00 0.00 N ATOM 0 H HIS A 130 0.249 14.012 26.110 1.00 0.00 H new ATOM 0 HA HIS A 130 2.765 14.233 24.578 1.00 0.00 H new ATOM 0 HB2 HIS A 130 0.698 14.378 23.112 1.00 0.00 H new ATOM 0 HB3 HIS A 130 0.211 15.788 24.032 1.00 0.00 H new ATOM 0 HD2 HIS A 130 2.885 14.784 21.358 1.00 0.00 H new ATOM 0 HE1 HIS A 130 3.072 18.982 21.899 1.00 0.00 H new ATOM 0 HE2 HIS A 130 3.912 17.023 20.516 1.00 0.00 H new ATOM 1991 N HIS A 131 3.411 15.928 26.251 1.00 0.00 N ATOM 1992 CA HIS A 131 3.846 17.021 27.108 1.00 0.00 C ATOM 1993 C HIS A 131 4.427 18.143 26.258 1.00 0.00 C ATOM 1994 O HIS A 131 4.821 17.916 25.113 1.00 0.00 O ATOM 1995 CB HIS A 131 4.877 16.544 28.147 1.00 0.00 C ATOM 1996 CG HIS A 131 6.167 16.040 27.566 1.00 0.00 C ATOM 1997 ND1 HIS A 131 7.316 16.796 27.516 1.00 0.00 N ATOM 1998 CD2 HIS A 131 6.484 14.843 27.020 1.00 0.00 C ATOM 1999 CE1 HIS A 131 8.282 16.087 26.960 1.00 0.00 C ATOM 2000 NE2 HIS A 131 7.802 14.899 26.651 1.00 0.00 N ATOM 0 H HIS A 131 4.150 15.278 25.982 1.00 0.00 H new ATOM 0 HA HIS A 131 2.979 17.395 27.652 1.00 0.00 H new ATOM 0 HB2 HIS A 131 5.097 17.369 28.825 1.00 0.00 H new ATOM 0 HB3 HIS A 131 4.429 15.750 28.745 1.00 0.00 H new ATOM 0 HD2 HIS A 131 5.821 14.000 26.898 1.00 0.00 H new ATOM 0 HE1 HIS A 131 9.294 16.424 26.788 1.00 0.00 H new ATOM 0 HE2 HIS A 131 8.327 14.144 26.209 1.00 0.00 H new ATOM 2009 N HIS A 132 4.463 19.342 26.812 1.00 0.00 N ATOM 2010 CA HIS A 132 5.015 20.489 26.108 1.00 0.00 C ATOM 2011 C HIS A 132 6.527 20.510 26.284 1.00 0.00 C ATOM 2012 O HIS A 132 6.997 21.082 27.286 1.00 0.00 O ATOM 2013 CB HIS A 132 4.391 21.786 26.644 1.00 0.00 C ATOM 2014 CG HIS A 132 4.784 23.026 25.890 1.00 0.00 C ATOM 2015 ND1 HIS A 132 3.896 23.752 25.130 1.00 0.00 N ATOM 2016 CD2 HIS A 132 5.962 23.693 25.821 1.00 0.00 C ATOM 2017 CE1 HIS A 132 4.509 24.804 24.623 1.00 0.00 C ATOM 2018 NE2 HIS A 132 5.763 24.795 25.028 1.00 0.00 N ATOM 2019 OXT HIS A 132 7.236 19.934 25.440 1.00 0.00 O ATOM 0 H HIS A 132 4.116 19.548 27.749 1.00 0.00 H new ATOM 0 HA HIS A 132 4.783 20.411 25.046 1.00 0.00 H new ATOM 0 HB2 HIS A 132 3.306 21.689 26.618 1.00 0.00 H new ATOM 0 HB3 HIS A 132 4.676 21.906 27.689 1.00 0.00 H new ATOM 0 HD2 HIS A 132 6.887 23.409 26.302 1.00 0.00 H new ATOM 0 HE1 HIS A 132 4.059 25.548 23.983 1.00 0.00 H new ATOM 0 HE2 HIS A 132 6.469 25.492 24.791 1.00 0.00 H new TER 2028 HIS A 132