USER MOD reduce.3.24.130724 H: found=0, std=0, add=865, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 862 hydrogens (19 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 36 HIS : no HD1:sc= -4.58! C(o=-4.2!,f=-7.7!) USER MOD Set 1.2: A 50 SER OG : rot -136:sc= 0.413 USER MOD Single : A 1 GLY N :NH3+ -125:sc= 0.0644 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 170:sc= -0.496 USER MOD Single : A 10 THR OG1 : rot -70:sc= 0.894 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 30:sc= -0.508 USER MOD Single : A 20 THR OG1 : rot -9:sc= 0.828 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.721 USER MOD Single : A 34 SER OG : rot 180:sc= -0.645 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.445 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.328 K(o=-0.33,f=-1.7) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= -0.0631 USER MOD Single : A 51 LYS NZ :NH3+ -161:sc= -0.127 (180deg=-0.647) USER MOD Single : A 54 ASN : amide:sc= -0.0125 X(o=-0.013,f=-0.28) USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -115:sc= -0.564 (180deg=-2.49!) USER MOD Single : A 75 GLN : amide:sc= -2.48 K(o=-2.5,f=-0.24) USER MOD Single : A 77 MET CE :methyl -138:sc= -3.21 (180deg=-6.12!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc=-0.00113 X(o=-0.0011,f=-0.0011) USER MOD Single : A 93 TYR OH : rot 180:sc= -0.29 USER MOD Single : A 105 ASN : amide:sc= -0.591 X(o=-0.59,f=-0.096) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.401 3.036 -4.744 1.00 0.00 N ATOM 2 CA GLY A 1 1.760 2.878 -5.228 1.00 0.00 C ATOM 3 C GLY A 1 2.792 3.075 -4.136 1.00 0.00 C ATOM 4 O GLY A 1 2.463 3.199 -2.956 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.151 2.185 -4.974 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.413 3.172 -3.713 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.035 3.864 -5.197 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.876 1.883 -5.657 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.942 3.594 -6.029 1.00 0.00 H new ATOM 8 N PRO A 2 4.075 3.106 -4.527 1.00 0.00 N ATOM 9 CA PRO A 2 5.185 3.289 -3.587 1.00 0.00 C ATOM 10 C PRO A 2 5.226 4.698 -3.006 1.00 0.00 C ATOM 11 O PRO A 2 4.505 5.587 -3.456 1.00 0.00 O ATOM 12 CB PRO A 2 6.424 3.029 -4.447 1.00 0.00 C ATOM 13 CG PRO A 2 5.993 3.344 -5.838 1.00 0.00 C ATOM 14 CD PRO A 2 4.540 2.966 -5.917 1.00 0.00 C ATOM 0 HA PRO A 2 5.102 2.628 -2.724 1.00 0.00 H new ATOM 0 HB2 PRO A 2 7.259 3.659 -4.139 1.00 0.00 H new ATOM 0 HB3 PRO A 2 6.756 1.994 -4.360 1.00 0.00 H new ATOM 0 HG2 PRO A 2 6.134 4.402 -6.060 1.00 0.00 H new ATOM 0 HG3 PRO A 2 6.582 2.785 -6.565 1.00 0.00 H new ATOM 0 HD2 PRO A 2 3.990 3.622 -6.593 1.00 0.00 H new ATOM 0 HD3 PRO A 2 4.409 1.948 -6.284 1.00 0.00 H new ATOM 22 N GLY A 3 6.076 4.894 -2.002 1.00 0.00 N ATOM 23 CA GLY A 3 6.195 6.198 -1.376 1.00 0.00 C ATOM 24 C GLY A 3 7.526 6.862 -1.669 1.00 0.00 C ATOM 25 O GLY A 3 8.435 6.838 -0.840 1.00 0.00 O ATOM 0 H GLY A 3 6.684 4.174 -1.612 1.00 0.00 H new ATOM 0 HA2 GLY A 3 5.387 6.841 -1.726 1.00 0.00 H new ATOM 0 HA3 GLY A 3 6.075 6.092 -0.298 1.00 0.00 H new ATOM 29 N SER A 4 7.641 7.457 -2.852 1.00 0.00 N ATOM 30 CA SER A 4 8.872 8.126 -3.255 1.00 0.00 C ATOM 31 C SER A 4 8.675 8.885 -4.563 1.00 0.00 C ATOM 32 O SER A 4 8.318 8.300 -5.585 1.00 0.00 O ATOM 33 CB SER A 4 10.004 7.108 -3.408 1.00 0.00 C ATOM 34 OG SER A 4 11.016 7.597 -4.272 1.00 0.00 O ATOM 0 H SER A 4 6.896 7.489 -3.548 1.00 0.00 H new ATOM 0 HA SER A 4 9.139 8.841 -2.477 1.00 0.00 H new ATOM 0 HB2 SER A 4 10.432 6.886 -2.431 1.00 0.00 H new ATOM 0 HB3 SER A 4 9.606 6.173 -3.802 1.00 0.00 H new ATOM 0 HG SER A 4 11.729 6.929 -4.352 1.00 0.00 H new ATOM 40 N MET A 5 8.911 10.193 -4.523 1.00 0.00 N ATOM 41 CA MET A 5 8.760 11.033 -5.705 1.00 0.00 C ATOM 42 C MET A 5 9.961 11.959 -5.870 1.00 0.00 C ATOM 43 O MET A 5 10.881 11.953 -5.051 1.00 0.00 O ATOM 44 CB MET A 5 7.474 11.856 -5.611 1.00 0.00 C ATOM 45 CG MET A 5 6.210 11.013 -5.631 1.00 0.00 C ATOM 46 SD MET A 5 5.775 10.452 -7.288 1.00 0.00 S ATOM 47 CE MET A 5 3.989 10.587 -7.233 1.00 0.00 C ATOM 0 H MET A 5 9.207 10.693 -3.685 1.00 0.00 H new ATOM 0 HA MET A 5 8.703 10.383 -6.578 1.00 0.00 H new ATOM 0 HB2 MET A 5 7.495 12.443 -4.693 1.00 0.00 H new ATOM 0 HB3 MET A 5 7.443 12.562 -6.441 1.00 0.00 H new ATOM 0 HG2 MET A 5 6.345 10.147 -4.982 1.00 0.00 H new ATOM 0 HG3 MET A 5 5.384 11.594 -5.220 1.00 0.00 H new ATOM 0 HE1 MET A 5 3.571 10.274 -8.190 1.00 0.00 H new ATOM 0 HE2 MET A 5 3.600 9.948 -6.440 1.00 0.00 H new ATOM 0 HE3 MET A 5 3.708 11.622 -7.035 1.00 0.00 H new ATOM 57 N THR A 6 9.946 12.756 -6.934 1.00 0.00 N ATOM 58 CA THR A 6 11.034 13.687 -7.206 1.00 0.00 C ATOM 59 C THR A 6 10.556 15.132 -7.117 1.00 0.00 C ATOM 60 O THR A 6 9.538 15.498 -7.704 1.00 0.00 O ATOM 61 CB THR A 6 11.644 13.446 -8.600 1.00 0.00 C ATOM 62 OG1 THR A 6 12.152 12.110 -8.687 1.00 0.00 O ATOM 63 CG2 THR A 6 12.762 14.438 -8.880 1.00 0.00 C ATOM 0 H THR A 6 9.192 12.775 -7.621 1.00 0.00 H new ATOM 0 HA THR A 6 11.797 13.512 -6.448 1.00 0.00 H new ATOM 0 HB THR A 6 10.861 13.586 -9.345 1.00 0.00 H new ATOM 0 HG1 THR A 6 12.537 11.964 -9.576 1.00 0.00 H new ATOM 0 HG21 THR A 6 13.177 14.248 -9.870 1.00 0.00 H new ATOM 0 HG22 THR A 6 12.366 15.453 -8.841 1.00 0.00 H new ATOM 0 HG23 THR A 6 13.545 14.325 -8.130 1.00 0.00 H new ATOM 71 N VAL A 7 11.298 15.951 -6.378 1.00 0.00 N ATOM 72 CA VAL A 7 10.951 17.358 -6.213 1.00 0.00 C ATOM 73 C VAL A 7 12.061 18.262 -6.736 1.00 0.00 C ATOM 74 O VAL A 7 13.179 18.254 -6.219 1.00 0.00 O ATOM 75 CB VAL A 7 10.679 17.699 -4.736 1.00 0.00 C ATOM 76 CG1 VAL A 7 10.192 19.133 -4.600 1.00 0.00 C ATOM 77 CG2 VAL A 7 9.671 16.726 -4.142 1.00 0.00 C ATOM 0 H VAL A 7 12.143 15.664 -5.884 1.00 0.00 H new ATOM 0 HA VAL A 7 10.043 17.531 -6.791 1.00 0.00 H new ATOM 0 HB VAL A 7 11.612 17.604 -4.181 1.00 0.00 H new ATOM 0 HG11 VAL A 7 10.005 19.356 -3.549 1.00 0.00 H new ATOM 0 HG12 VAL A 7 10.951 19.813 -4.986 1.00 0.00 H new ATOM 0 HG13 VAL A 7 9.270 19.259 -5.167 1.00 0.00 H new ATOM 0 HG21 VAL A 7 9.490 16.981 -3.098 1.00 0.00 H new ATOM 0 HG22 VAL A 7 8.735 16.787 -4.698 1.00 0.00 H new ATOM 0 HG23 VAL A 7 10.064 15.711 -4.204 1.00 0.00 H new ATOM 87 N VAL A 8 11.746 19.043 -7.764 1.00 0.00 N ATOM 88 CA VAL A 8 12.716 19.956 -8.357 1.00 0.00 C ATOM 89 C VAL A 8 12.282 21.407 -8.183 1.00 0.00 C ATOM 90 O VAL A 8 11.093 21.723 -8.241 1.00 0.00 O ATOM 91 CB VAL A 8 12.915 19.668 -9.857 1.00 0.00 C ATOM 92 CG1 VAL A 8 11.582 19.705 -10.589 1.00 0.00 C ATOM 93 CG2 VAL A 8 13.894 20.660 -10.464 1.00 0.00 C ATOM 0 H VAL A 8 10.826 19.062 -8.204 1.00 0.00 H new ATOM 0 HA VAL A 8 13.660 19.796 -7.836 1.00 0.00 H new ATOM 0 HB VAL A 8 13.334 18.667 -9.965 1.00 0.00 H new ATOM 0 HG11 VAL A 8 11.742 19.499 -11.647 1.00 0.00 H new ATOM 0 HG12 VAL A 8 10.916 18.951 -10.170 1.00 0.00 H new ATOM 0 HG13 VAL A 8 11.132 20.691 -10.475 1.00 0.00 H new ATOM 0 HG21 VAL A 8 14.023 20.442 -11.524 1.00 0.00 H new ATOM 0 HG22 VAL A 8 13.507 21.672 -10.346 1.00 0.00 H new ATOM 0 HG23 VAL A 8 14.856 20.578 -9.957 1.00 0.00 H new ATOM 103 N THR A 9 13.254 22.289 -7.971 1.00 0.00 N ATOM 104 CA THR A 9 12.973 23.707 -7.787 1.00 0.00 C ATOM 105 C THR A 9 13.706 24.551 -8.824 1.00 0.00 C ATOM 106 O THR A 9 14.834 24.240 -9.209 1.00 0.00 O ATOM 107 CB THR A 9 13.376 24.182 -6.378 1.00 0.00 C ATOM 108 OG1 THR A 9 12.613 23.482 -5.389 1.00 0.00 O ATOM 109 CG2 THR A 9 13.156 25.680 -6.229 1.00 0.00 C ATOM 0 H THR A 9 14.243 22.046 -7.923 1.00 0.00 H new ATOM 0 HA THR A 9 11.898 23.835 -7.911 1.00 0.00 H new ATOM 0 HB THR A 9 14.436 23.970 -6.236 1.00 0.00 H new ATOM 0 HG1 THR A 9 12.982 23.667 -4.500 1.00 0.00 H new ATOM 0 HG21 THR A 9 13.447 25.993 -5.226 1.00 0.00 H new ATOM 0 HG22 THR A 9 13.760 26.211 -6.965 1.00 0.00 H new ATOM 0 HG23 THR A 9 12.103 25.911 -6.389 1.00 0.00 H new ATOM 117 N THR A 10 13.059 25.622 -9.273 1.00 0.00 N ATOM 118 CA THR A 10 13.649 26.511 -10.266 1.00 0.00 C ATOM 119 C THR A 10 14.622 27.490 -9.619 1.00 0.00 C ATOM 120 O THR A 10 14.807 27.481 -8.402 1.00 0.00 O ATOM 121 CB THR A 10 12.568 27.305 -11.023 1.00 0.00 C ATOM 122 OG1 THR A 10 11.832 28.125 -10.108 1.00 0.00 O ATOM 123 CG2 THR A 10 11.616 26.366 -11.748 1.00 0.00 C ATOM 0 H THR A 10 12.126 25.895 -8.964 1.00 0.00 H new ATOM 0 HA THR A 10 14.188 25.880 -10.973 1.00 0.00 H new ATOM 0 HB THR A 10 13.062 27.937 -11.761 1.00 0.00 H new ATOM 0 HG1 THR A 10 11.270 27.558 -9.540 1.00 0.00 H new ATOM 0 HG21 THR A 10 10.861 26.949 -12.276 1.00 0.00 H new ATOM 0 HG22 THR A 10 12.175 25.763 -12.464 1.00 0.00 H new ATOM 0 HG23 THR A 10 11.129 25.712 -11.025 1.00 0.00 H new ATOM 131 N GLU A 11 15.242 28.332 -10.440 1.00 0.00 N ATOM 132 CA GLU A 11 16.197 29.317 -9.945 1.00 0.00 C ATOM 133 C GLU A 11 15.476 30.544 -9.395 1.00 0.00 C ATOM 134 O GLU A 11 15.990 31.238 -8.518 1.00 0.00 O ATOM 135 CB GLU A 11 17.158 29.733 -11.060 1.00 0.00 C ATOM 136 CG GLU A 11 18.296 28.750 -11.281 1.00 0.00 C ATOM 137 CD GLU A 11 19.247 28.685 -10.102 1.00 0.00 C ATOM 138 OE1 GLU A 11 19.539 29.749 -9.516 1.00 0.00 O ATOM 139 OE2 GLU A 11 19.699 27.571 -9.765 1.00 0.00 O ATOM 0 H GLU A 11 15.100 28.352 -11.450 1.00 0.00 H new ATOM 0 HA GLU A 11 16.767 28.859 -9.137 1.00 0.00 H new ATOM 0 HB2 GLU A 11 16.598 29.842 -11.989 1.00 0.00 H new ATOM 0 HB3 GLU A 11 17.575 30.711 -10.822 1.00 0.00 H new ATOM 0 HG2 GLU A 11 17.884 27.758 -11.466 1.00 0.00 H new ATOM 0 HG3 GLU A 11 18.850 29.036 -12.175 1.00 0.00 H new ATOM 146 N SER A 12 14.283 30.807 -9.919 1.00 0.00 N ATOM 147 CA SER A 12 13.493 31.953 -9.484 1.00 0.00 C ATOM 148 C SER A 12 12.864 31.693 -8.118 1.00 0.00 C ATOM 149 O SER A 12 12.625 32.620 -7.346 1.00 0.00 O ATOM 150 CB SER A 12 12.401 32.264 -10.510 1.00 0.00 C ATOM 151 OG SER A 12 12.889 32.127 -11.833 1.00 0.00 O ATOM 0 H SER A 12 13.842 30.242 -10.645 1.00 0.00 H new ATOM 0 HA SER A 12 14.159 32.812 -9.400 1.00 0.00 H new ATOM 0 HB2 SER A 12 11.555 31.593 -10.360 1.00 0.00 H new ATOM 0 HB3 SER A 12 12.034 33.279 -10.358 1.00 0.00 H new ATOM 0 HG SER A 12 12.171 32.330 -12.469 1.00 0.00 H new ATOM 157 N GLY A 13 12.599 30.423 -7.828 1.00 0.00 N ATOM 158 CA GLY A 13 12.001 30.062 -6.556 1.00 0.00 C ATOM 159 C GLY A 13 10.779 29.180 -6.719 1.00 0.00 C ATOM 160 O GLY A 13 10.463 28.375 -5.842 1.00 0.00 O ATOM 0 H GLY A 13 12.788 29.638 -8.451 1.00 0.00 H new ATOM 0 HA2 GLY A 13 12.740 29.544 -5.945 1.00 0.00 H new ATOM 0 HA3 GLY A 13 11.722 30.969 -6.019 1.00 0.00 H new ATOM 164 N LEU A 14 10.088 29.331 -7.844 1.00 0.00 N ATOM 165 CA LEU A 14 8.892 28.542 -8.119 1.00 0.00 C ATOM 166 C LEU A 14 9.169 27.053 -7.943 1.00 0.00 C ATOM 167 O LEU A 14 10.204 26.547 -8.378 1.00 0.00 O ATOM 168 CB LEU A 14 8.393 28.815 -9.539 1.00 0.00 C ATOM 169 CG LEU A 14 7.391 27.808 -10.104 1.00 0.00 C ATOM 170 CD1 LEU A 14 6.085 27.862 -9.326 1.00 0.00 C ATOM 171 CD2 LEU A 14 7.145 28.071 -11.582 1.00 0.00 C ATOM 0 H LEU A 14 10.335 29.992 -8.580 1.00 0.00 H new ATOM 0 HA LEU A 14 8.121 28.836 -7.406 1.00 0.00 H new ATOM 0 HB2 LEU A 14 7.934 29.803 -9.557 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.255 28.852 -10.205 1.00 0.00 H new ATOM 0 HG LEU A 14 7.812 26.808 -10.000 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.384 27.139 -9.742 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.275 27.623 -8.280 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.660 28.863 -9.398 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.429 27.344 -11.967 1.00 0.00 H new ATOM 0 HD22 LEU A 14 6.746 29.077 -11.711 1.00 0.00 H new ATOM 0 HD23 LEU A 14 8.084 27.980 -12.129 1.00 0.00 H new ATOM 183 N LYS A 15 8.238 26.355 -7.303 1.00 0.00 N ATOM 184 CA LYS A 15 8.378 24.922 -7.071 1.00 0.00 C ATOM 185 C LYS A 15 7.079 24.189 -7.388 1.00 0.00 C ATOM 186 O LYS A 15 6.016 24.804 -7.486 1.00 0.00 O ATOM 187 CB LYS A 15 8.785 24.657 -5.619 1.00 0.00 C ATOM 188 CG LYS A 15 9.862 25.597 -5.108 1.00 0.00 C ATOM 189 CD LYS A 15 10.579 25.020 -3.899 1.00 0.00 C ATOM 190 CE LYS A 15 9.804 25.281 -2.616 1.00 0.00 C ATOM 191 NZ LYS A 15 10.639 25.039 -1.406 1.00 0.00 N ATOM 0 H LYS A 15 7.377 26.759 -6.935 1.00 0.00 H new ATOM 0 HA LYS A 15 9.157 24.547 -7.735 1.00 0.00 H new ATOM 0 HB2 LYS A 15 7.905 24.746 -4.982 1.00 0.00 H new ATOM 0 HB3 LYS A 15 9.140 23.630 -5.532 1.00 0.00 H new ATOM 0 HG2 LYS A 15 10.584 25.791 -5.902 1.00 0.00 H new ATOM 0 HG3 LYS A 15 9.414 26.555 -4.844 1.00 0.00 H new ATOM 0 HD2 LYS A 15 10.714 23.947 -4.032 1.00 0.00 H new ATOM 0 HD3 LYS A 15 11.574 25.459 -3.820 1.00 0.00 H new ATOM 0 HE2 LYS A 15 9.446 26.311 -2.611 1.00 0.00 H new ATOM 0 HE3 LYS A 15 8.925 24.638 -2.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 10.076 25.227 -0.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 10.960 24.050 -1.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 11.465 25.671 -1.422 1.00 0.00 H new ATOM 205 N TYR A 16 7.170 22.873 -7.545 1.00 0.00 N ATOM 206 CA TYR A 16 6.001 22.057 -7.852 1.00 0.00 C ATOM 207 C TYR A 16 6.204 20.619 -7.386 1.00 0.00 C ATOM 208 O TYR A 16 7.317 20.095 -7.423 1.00 0.00 O ATOM 209 CB TYR A 16 5.715 22.083 -9.354 1.00 0.00 C ATOM 210 CG TYR A 16 6.951 21.912 -10.209 1.00 0.00 C ATOM 211 CD1 TYR A 16 7.720 23.008 -10.581 1.00 0.00 C ATOM 212 CD2 TYR A 16 7.349 20.655 -10.645 1.00 0.00 C ATOM 213 CE1 TYR A 16 8.849 22.857 -11.362 1.00 0.00 C ATOM 214 CE2 TYR A 16 8.478 20.493 -11.425 1.00 0.00 C ATOM 215 CZ TYR A 16 9.224 21.598 -11.782 1.00 0.00 C ATOM 216 OH TYR A 16 10.348 21.442 -12.559 1.00 0.00 O ATOM 0 H TYR A 16 8.041 22.348 -7.465 1.00 0.00 H new ATOM 0 HA TYR A 16 5.147 22.475 -7.320 1.00 0.00 H new ATOM 0 HB2 TYR A 16 5.005 21.291 -9.594 1.00 0.00 H new ATOM 0 HB3 TYR A 16 5.236 23.029 -9.608 1.00 0.00 H new ATOM 0 HD1 TYR A 16 7.430 23.995 -10.254 1.00 0.00 H new ATOM 0 HD2 TYR A 16 6.766 19.789 -10.370 1.00 0.00 H new ATOM 0 HE1 TYR A 16 9.435 23.720 -11.642 1.00 0.00 H new ATOM 0 HE2 TYR A 16 8.775 19.508 -11.753 1.00 0.00 H new ATOM 0 HH TYR A 16 10.996 22.145 -12.342 1.00 0.00 H new ATOM 226 N GLU A 17 5.119 19.987 -6.949 1.00 0.00 N ATOM 227 CA GLU A 17 5.178 18.609 -6.475 1.00 0.00 C ATOM 228 C GLU A 17 4.148 17.742 -7.195 1.00 0.00 C ATOM 229 O GLU A 17 2.945 17.987 -7.107 1.00 0.00 O ATOM 230 CB GLU A 17 4.939 18.555 -4.965 1.00 0.00 C ATOM 231 CG GLU A 17 5.422 17.267 -4.318 1.00 0.00 C ATOM 232 CD GLU A 17 5.664 17.417 -2.829 1.00 0.00 C ATOM 233 OE1 GLU A 17 6.157 18.487 -2.413 1.00 0.00 O ATOM 234 OE2 GLU A 17 5.360 16.466 -2.079 1.00 0.00 O ATOM 0 H GLU A 17 4.190 20.407 -6.913 1.00 0.00 H new ATOM 0 HA GLU A 17 6.172 18.219 -6.692 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.444 19.399 -4.495 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.873 18.672 -4.770 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.684 16.482 -4.485 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.344 16.946 -4.802 1.00 0.00 H new ATOM 241 N ASP A 18 4.631 16.729 -7.906 1.00 0.00 N ATOM 242 CA ASP A 18 3.754 15.825 -8.641 1.00 0.00 C ATOM 243 C ASP A 18 2.876 15.023 -7.686 1.00 0.00 C ATOM 244 O ASP A 18 3.375 14.238 -6.879 1.00 0.00 O ATOM 245 CB ASP A 18 4.578 14.877 -9.514 1.00 0.00 C ATOM 246 CG ASP A 18 4.188 14.950 -10.977 1.00 0.00 C ATOM 247 OD1 ASP A 18 3.009 15.246 -11.262 1.00 0.00 O ATOM 248 OD2 ASP A 18 5.061 14.709 -11.837 1.00 0.00 O ATOM 0 H ASP A 18 5.624 16.513 -7.989 1.00 0.00 H new ATOM 0 HA ASP A 18 3.108 16.426 -9.281 1.00 0.00 H new ATOM 0 HB2 ASP A 18 5.636 15.120 -9.411 1.00 0.00 H new ATOM 0 HB3 ASP A 18 4.449 13.855 -9.157 1.00 0.00 H new ATOM 253 N LEU A 19 1.567 15.226 -7.781 1.00 0.00 N ATOM 254 CA LEU A 19 0.619 14.523 -6.925 1.00 0.00 C ATOM 255 C LEU A 19 -0.030 13.361 -7.670 1.00 0.00 C ATOM 256 O LEU A 19 -0.284 12.303 -7.093 1.00 0.00 O ATOM 257 CB LEU A 19 -0.458 15.487 -6.423 1.00 0.00 C ATOM 258 CG LEU A 19 -0.272 16.020 -5.002 1.00 0.00 C ATOM 259 CD1 LEU A 19 0.948 16.925 -4.927 1.00 0.00 C ATOM 260 CD2 LEU A 19 -1.518 16.762 -4.543 1.00 0.00 C ATOM 0 H LEU A 19 1.138 15.872 -8.443 1.00 0.00 H new ATOM 0 HA LEU A 19 1.166 14.123 -6.071 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.504 16.336 -7.105 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.423 14.982 -6.477 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.112 15.173 -4.335 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.065 17.295 -3.908 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.837 16.362 -5.213 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.818 17.767 -5.606 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.367 17.134 -3.530 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.710 17.600 -5.213 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.371 16.084 -4.557 1.00 0.00 H new ATOM 272 N THR A 20 -0.296 13.564 -8.957 1.00 0.00 N ATOM 273 CA THR A 20 -0.914 12.534 -9.782 1.00 0.00 C ATOM 274 C THR A 20 -0.693 12.811 -11.264 1.00 0.00 C ATOM 275 O THR A 20 -1.184 13.806 -11.798 1.00 0.00 O ATOM 276 CB THR A 20 -2.426 12.429 -9.510 1.00 0.00 C ATOM 277 OG1 THR A 20 -2.655 12.090 -8.138 1.00 0.00 O ATOM 278 CG2 THR A 20 -3.067 11.383 -10.410 1.00 0.00 C ATOM 0 H THR A 20 -0.093 14.433 -9.450 1.00 0.00 H new ATOM 0 HA THR A 20 -0.439 11.589 -9.517 1.00 0.00 H new ATOM 0 HB THR A 20 -2.879 13.397 -9.725 1.00 0.00 H new ATOM 0 HG1 THR A 20 -1.804 11.857 -7.712 1.00 0.00 H new ATOM 0 HG21 THR A 20 -4.135 11.327 -10.199 1.00 0.00 H new ATOM 0 HG22 THR A 20 -2.917 11.660 -11.454 1.00 0.00 H new ATOM 0 HG23 THR A 20 -2.609 10.412 -10.223 1.00 0.00 H new ATOM 286 N GLU A 21 0.047 11.925 -11.924 1.00 0.00 N ATOM 287 CA GLU A 21 0.331 12.077 -13.346 1.00 0.00 C ATOM 288 C GLU A 21 -0.961 12.191 -14.150 1.00 0.00 C ATOM 289 O GLU A 21 -2.015 11.722 -13.723 1.00 0.00 O ATOM 290 CB GLU A 21 1.156 10.892 -13.853 1.00 0.00 C ATOM 291 CG GLU A 21 1.892 11.173 -15.152 1.00 0.00 C ATOM 292 CD GLU A 21 2.841 10.056 -15.539 1.00 0.00 C ATOM 293 OE1 GLU A 21 2.354 8.970 -15.920 1.00 0.00 O ATOM 294 OE2 GLU A 21 4.069 10.266 -15.462 1.00 0.00 O ATOM 0 H GLU A 21 0.460 11.096 -11.497 1.00 0.00 H new ATOM 0 HA GLU A 21 0.904 12.994 -13.480 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.880 10.611 -13.088 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.496 10.036 -13.997 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.166 11.321 -15.952 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.452 12.103 -15.054 1.00 0.00 H new ATOM 301 N GLY A 22 -0.870 12.820 -15.318 1.00 0.00 N ATOM 302 CA GLY A 22 -2.038 12.987 -16.164 1.00 0.00 C ATOM 303 C GLY A 22 -1.808 12.486 -17.576 1.00 0.00 C ATOM 304 O GLY A 22 -1.071 13.100 -18.347 1.00 0.00 O ATOM 0 H GLY A 22 -0.009 13.217 -15.693 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.880 12.452 -15.725 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.312 14.042 -16.196 1.00 0.00 H new ATOM 308 N SER A 23 -2.439 11.366 -17.915 1.00 0.00 N ATOM 309 CA SER A 23 -2.294 10.780 -19.242 1.00 0.00 C ATOM 310 C SER A 23 -3.341 11.340 -20.201 1.00 0.00 C ATOM 311 O SER A 23 -4.173 10.604 -20.729 1.00 0.00 O ATOM 312 CB SER A 23 -2.420 9.257 -19.166 1.00 0.00 C ATOM 313 OG SER A 23 -1.966 8.647 -20.362 1.00 0.00 O ATOM 0 H SER A 23 -3.055 10.847 -17.289 1.00 0.00 H new ATOM 0 HA SER A 23 -1.305 11.038 -19.620 1.00 0.00 H new ATOM 0 HB2 SER A 23 -1.842 8.883 -18.321 1.00 0.00 H new ATOM 0 HB3 SER A 23 -3.460 8.984 -18.987 1.00 0.00 H new ATOM 0 HG SER A 23 -2.056 7.674 -20.287 1.00 0.00 H new ATOM 319 N GLY A 24 -3.291 12.651 -20.420 1.00 0.00 N ATOM 320 CA GLY A 24 -4.239 13.289 -21.314 1.00 0.00 C ATOM 321 C GLY A 24 -3.560 14.140 -22.369 1.00 0.00 C ATOM 322 O GLY A 24 -3.416 13.720 -23.516 1.00 0.00 O ATOM 0 H GLY A 24 -2.611 13.282 -19.994 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.844 12.525 -21.802 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.920 13.911 -20.733 1.00 0.00 H new ATOM 326 N ALA A 25 -3.142 15.340 -21.979 1.00 0.00 N ATOM 327 CA ALA A 25 -2.473 16.252 -22.899 1.00 0.00 C ATOM 328 C ALA A 25 -1.974 17.497 -22.173 1.00 0.00 C ATOM 329 O ALA A 25 -2.721 18.134 -21.432 1.00 0.00 O ATOM 330 CB ALA A 25 -3.412 16.640 -24.032 1.00 0.00 C ATOM 0 H ALA A 25 -3.255 15.703 -21.033 1.00 0.00 H new ATOM 0 HA ALA A 25 -1.608 15.737 -23.318 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -2.900 17.321 -24.712 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.716 15.745 -24.575 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.294 17.132 -23.621 1.00 0.00 H new ATOM 336 N GLU A 26 -0.708 17.836 -22.391 1.00 0.00 N ATOM 337 CA GLU A 26 -0.110 19.004 -21.755 1.00 0.00 C ATOM 338 C GLU A 26 -0.897 20.268 -22.089 1.00 0.00 C ATOM 339 O GLU A 26 -1.310 20.471 -23.230 1.00 0.00 O ATOM 340 CB GLU A 26 1.346 19.164 -22.199 1.00 0.00 C ATOM 341 CG GLU A 26 2.009 20.423 -21.665 1.00 0.00 C ATOM 342 CD GLU A 26 3.411 20.619 -22.210 1.00 0.00 C ATOM 343 OE1 GLU A 26 3.541 21.082 -23.362 1.00 0.00 O ATOM 344 OE2 GLU A 26 4.378 20.310 -21.483 1.00 0.00 O ATOM 0 H GLU A 26 -0.077 17.319 -23.003 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.139 18.853 -20.676 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.916 18.295 -21.869 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.386 19.176 -23.288 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.398 21.288 -21.923 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.049 20.375 -20.577 1.00 0.00 H new ATOM 351 N ALA A 27 -1.100 21.113 -21.085 1.00 0.00 N ATOM 352 CA ALA A 27 -1.836 22.358 -21.271 1.00 0.00 C ATOM 353 C ALA A 27 -1.268 23.162 -22.435 1.00 0.00 C ATOM 354 O ALA A 27 -0.069 23.438 -22.485 1.00 0.00 O ATOM 355 CB ALA A 27 -1.809 23.183 -19.993 1.00 0.00 C ATOM 0 H ALA A 27 -0.765 20.959 -20.134 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.871 22.108 -21.507 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.362 24.110 -20.146 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -2.269 22.616 -19.184 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.777 23.416 -19.732 1.00 0.00 H new ATOM 361 N ARG A 28 -2.136 23.535 -23.370 1.00 0.00 N ATOM 362 CA ARG A 28 -1.719 24.306 -24.535 1.00 0.00 C ATOM 363 C ARG A 28 -1.769 25.803 -24.242 1.00 0.00 C ATOM 364 O ARG A 28 -2.480 26.246 -23.341 1.00 0.00 O ATOM 365 CB ARG A 28 -2.612 23.980 -25.734 1.00 0.00 C ATOM 366 CG ARG A 28 -2.341 22.613 -26.341 1.00 0.00 C ATOM 367 CD ARG A 28 -1.192 22.663 -27.336 1.00 0.00 C ATOM 368 NE ARG A 28 -1.658 22.904 -28.699 1.00 0.00 N ATOM 369 CZ ARG A 28 -0.845 23.035 -29.741 1.00 0.00 C ATOM 370 NH1 ARG A 28 0.468 22.948 -29.577 1.00 0.00 N ATOM 371 NH2 ARG A 28 -1.345 23.253 -30.951 1.00 0.00 N ATOM 0 H ARG A 28 -3.132 23.316 -23.343 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.690 24.034 -24.771 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.656 24.030 -25.423 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -2.471 24.743 -26.500 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -2.107 21.902 -25.549 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -3.240 22.250 -26.840 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -0.496 23.450 -27.046 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -0.642 21.723 -27.302 1.00 0.00 H new ATOM 0 HE ARG A 28 -2.663 22.976 -28.859 1.00 0.00 H new ATOM 0 HH11 ARG A 28 0.856 22.780 -28.649 1.00 0.00 H new ATOM 0 HH12 ARG A 28 1.090 23.049 -30.379 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -2.354 23.320 -31.081 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -0.720 23.353 -31.751 1.00 0.00 H new ATOM 385 N ALA A 29 -1.008 26.576 -25.010 1.00 0.00 N ATOM 386 CA ALA A 29 -0.967 28.023 -24.835 1.00 0.00 C ATOM 387 C ALA A 29 -1.916 28.721 -25.803 1.00 0.00 C ATOM 388 O ALA A 29 -2.159 28.236 -26.907 1.00 0.00 O ATOM 389 CB ALA A 29 0.453 28.536 -25.022 1.00 0.00 C ATOM 0 H ALA A 29 -0.412 26.225 -25.759 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.294 28.251 -23.821 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.470 29.618 -24.889 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.108 28.070 -24.286 1.00 0.00 H new ATOM 0 HB3 ALA A 29 0.800 28.289 -26.025 1.00 0.00 H new ATOM 395 N GLY A 30 -2.449 29.863 -25.381 1.00 0.00 N ATOM 396 CA GLY A 30 -3.366 30.609 -26.223 1.00 0.00 C ATOM 397 C GLY A 30 -4.764 30.022 -26.221 1.00 0.00 C ATOM 398 O GLY A 30 -5.658 30.529 -26.897 1.00 0.00 O ATOM 0 H GLY A 30 -2.262 30.285 -24.471 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -3.409 31.643 -25.881 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -2.984 30.627 -27.244 1.00 0.00 H new ATOM 402 N GLN A 31 -4.951 28.948 -25.460 1.00 0.00 N ATOM 403 CA GLN A 31 -6.250 28.290 -25.375 1.00 0.00 C ATOM 404 C GLN A 31 -6.791 28.334 -23.950 1.00 0.00 C ATOM 405 O GLN A 31 -6.028 28.409 -22.986 1.00 0.00 O ATOM 406 CB GLN A 31 -6.141 26.839 -25.848 1.00 0.00 C ATOM 407 CG GLN A 31 -7.487 26.181 -26.107 1.00 0.00 C ATOM 408 CD GLN A 31 -7.393 25.023 -27.080 1.00 0.00 C ATOM 409 OE1 GLN A 31 -8.146 24.950 -28.051 1.00 0.00 O ATOM 410 NE2 GLN A 31 -6.465 24.108 -26.824 1.00 0.00 N ATOM 0 H GLN A 31 -4.221 28.516 -24.894 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.944 28.825 -26.023 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -5.548 26.807 -26.762 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -5.601 26.261 -25.098 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.901 25.825 -25.163 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -8.181 26.924 -26.499 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -5.862 24.208 -26.008 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.355 23.305 -27.444 1.00 0.00 H new ATOM 419 N THR A 32 -8.113 28.287 -23.822 1.00 0.00 N ATOM 420 CA THR A 32 -8.757 28.323 -22.515 1.00 0.00 C ATOM 421 C THR A 32 -8.920 26.919 -21.944 1.00 0.00 C ATOM 422 O THR A 32 -9.707 26.119 -22.451 1.00 0.00 O ATOM 423 CB THR A 32 -10.139 28.999 -22.588 1.00 0.00 C ATOM 424 OG1 THR A 32 -10.073 30.158 -23.427 1.00 0.00 O ATOM 425 CG2 THR A 32 -10.620 29.398 -21.201 1.00 0.00 C ATOM 0 H THR A 32 -8.759 28.224 -24.609 1.00 0.00 H new ATOM 0 HA THR A 32 -8.110 28.906 -21.860 1.00 0.00 H new ATOM 0 HB THR A 32 -10.847 28.285 -23.009 1.00 0.00 H new ATOM 0 HG1 THR A 32 -10.956 30.581 -23.470 1.00 0.00 H new ATOM 0 HG21 THR A 32 -11.598 29.873 -21.278 1.00 0.00 H new ATOM 0 HG22 THR A 32 -10.696 28.510 -20.573 1.00 0.00 H new ATOM 0 HG23 THR A 32 -9.911 30.097 -20.757 1.00 0.00 H new ATOM 433 N VAL A 33 -8.173 26.626 -20.885 1.00 0.00 N ATOM 434 CA VAL A 33 -8.236 25.318 -20.243 1.00 0.00 C ATOM 435 C VAL A 33 -8.921 25.406 -18.883 1.00 0.00 C ATOM 436 O VAL A 33 -8.794 26.406 -18.176 1.00 0.00 O ATOM 437 CB VAL A 33 -6.832 24.714 -20.060 1.00 0.00 C ATOM 438 CG1 VAL A 33 -6.105 24.638 -21.394 1.00 0.00 C ATOM 439 CG2 VAL A 33 -6.030 25.524 -19.052 1.00 0.00 C ATOM 0 H VAL A 33 -7.517 27.277 -20.453 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.818 24.671 -20.899 1.00 0.00 H new ATOM 0 HB VAL A 33 -6.940 23.700 -19.674 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.114 24.209 -21.245 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.672 24.011 -22.082 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.007 25.640 -21.812 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.040 25.082 -18.935 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.930 26.550 -19.407 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.544 25.521 -18.091 1.00 0.00 H new ATOM 449 N SER A 34 -9.646 24.352 -18.523 1.00 0.00 N ATOM 450 CA SER A 34 -10.354 24.312 -17.248 1.00 0.00 C ATOM 451 C SER A 34 -9.569 23.508 -16.216 1.00 0.00 C ATOM 452 O SER A 34 -9.256 22.337 -16.432 1.00 0.00 O ATOM 453 CB SER A 34 -11.746 23.704 -17.433 1.00 0.00 C ATOM 454 OG SER A 34 -12.748 24.555 -16.904 1.00 0.00 O ATOM 0 H SER A 34 -9.759 23.515 -19.095 1.00 0.00 H new ATOM 0 HA SER A 34 -10.457 25.335 -16.885 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.933 23.532 -18.493 1.00 0.00 H new ATOM 0 HB3 SER A 34 -11.791 22.733 -16.939 1.00 0.00 H new ATOM 0 HG SER A 34 -13.628 24.145 -17.036 1.00 0.00 H new ATOM 460 N VAL A 35 -9.253 24.146 -15.094 1.00 0.00 N ATOM 461 CA VAL A 35 -8.506 23.492 -14.027 1.00 0.00 C ATOM 462 C VAL A 35 -8.979 23.961 -12.656 1.00 0.00 C ATOM 463 O VAL A 35 -9.673 24.972 -12.539 1.00 0.00 O ATOM 464 CB VAL A 35 -6.994 23.759 -14.155 1.00 0.00 C ATOM 465 CG1 VAL A 35 -6.541 23.585 -15.596 1.00 0.00 C ATOM 466 CG2 VAL A 35 -6.655 25.152 -13.646 1.00 0.00 C ATOM 0 H VAL A 35 -9.503 25.116 -14.900 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.688 22.422 -14.124 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.461 23.032 -13.542 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.470 23.778 -15.667 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.749 22.566 -15.922 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.079 24.287 -16.234 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.583 25.324 -13.744 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -7.197 25.895 -14.231 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.942 25.236 -12.598 1.00 0.00 H new ATOM 476 N HIS A 36 -8.600 23.220 -11.619 1.00 0.00 N ATOM 477 CA HIS A 36 -8.986 23.562 -10.254 1.00 0.00 C ATOM 478 C HIS A 36 -7.789 24.086 -9.467 1.00 0.00 C ATOM 479 O HIS A 36 -6.713 23.487 -9.481 1.00 0.00 O ATOM 480 CB HIS A 36 -9.579 22.342 -9.550 1.00 0.00 C ATOM 481 CG HIS A 36 -11.076 22.298 -9.586 1.00 0.00 C ATOM 482 ND1 HIS A 36 -11.865 23.423 -9.466 1.00 0.00 N ATOM 483 CD2 HIS A 36 -11.928 21.257 -9.732 1.00 0.00 C ATOM 484 CE1 HIS A 36 -13.137 23.075 -9.535 1.00 0.00 C ATOM 485 NE2 HIS A 36 -13.203 21.766 -9.697 1.00 0.00 N ATOM 0 H HIS A 36 -8.027 22.380 -11.698 1.00 0.00 H new ATOM 0 HA HIS A 36 -9.740 24.348 -10.301 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -9.186 21.438 -10.015 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -9.248 22.336 -8.511 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -11.656 20.219 -9.853 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -13.980 23.747 -9.470 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -14.061 21.222 -9.782 1.00 0.00 H new ATOM 493 N TYR A 37 -7.983 25.208 -8.782 1.00 0.00 N ATOM 494 CA TYR A 37 -6.919 25.815 -7.991 1.00 0.00 C ATOM 495 C TYR A 37 -7.285 25.836 -6.510 1.00 0.00 C ATOM 496 O TYR A 37 -8.446 26.030 -6.147 1.00 0.00 O ATOM 497 CB TYR A 37 -6.640 27.237 -8.480 1.00 0.00 C ATOM 498 CG TYR A 37 -7.794 28.189 -8.261 1.00 0.00 C ATOM 499 CD1 TYR A 37 -8.019 28.765 -7.017 1.00 0.00 C ATOM 500 CD2 TYR A 37 -8.659 28.513 -9.299 1.00 0.00 C ATOM 501 CE1 TYR A 37 -9.072 29.635 -6.812 1.00 0.00 C ATOM 502 CE2 TYR A 37 -9.714 29.384 -9.103 1.00 0.00 C ATOM 503 CZ TYR A 37 -9.917 29.942 -7.858 1.00 0.00 C ATOM 504 OH TYR A 37 -10.967 30.808 -7.660 1.00 0.00 O ATOM 0 H TYR A 37 -8.867 25.715 -8.759 1.00 0.00 H new ATOM 0 HA TYR A 37 -6.019 25.212 -8.115 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -5.759 27.623 -7.967 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -6.402 27.207 -9.543 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -7.359 28.528 -6.196 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -8.504 28.077 -10.275 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -9.233 30.073 -5.838 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -10.376 29.627 -9.921 1.00 0.00 H new ATOM 0 HH TYR A 37 -11.463 30.917 -8.498 1.00 0.00 H new ATOM 514 N THR A 38 -6.285 25.635 -5.658 1.00 0.00 N ATOM 515 CA THR A 38 -6.500 25.630 -4.216 1.00 0.00 C ATOM 516 C THR A 38 -5.396 26.395 -3.494 1.00 0.00 C ATOM 517 O THR A 38 -4.240 25.975 -3.485 1.00 0.00 O ATOM 518 CB THR A 38 -6.561 24.194 -3.662 1.00 0.00 C ATOM 519 OG1 THR A 38 -6.667 23.257 -4.739 1.00 0.00 O ATOM 520 CG2 THR A 38 -7.745 24.028 -2.721 1.00 0.00 C ATOM 0 H THR A 38 -5.318 25.474 -5.941 1.00 0.00 H new ATOM 0 HA THR A 38 -7.456 26.121 -4.037 1.00 0.00 H new ATOM 0 HB THR A 38 -5.644 24.004 -3.105 1.00 0.00 H new ATOM 0 HG1 THR A 38 -6.703 22.347 -4.378 1.00 0.00 H new ATOM 0 HG21 THR A 38 -7.768 23.006 -2.342 1.00 0.00 H new ATOM 0 HG22 THR A 38 -7.647 24.722 -1.887 1.00 0.00 H new ATOM 0 HG23 THR A 38 -8.670 24.236 -3.259 1.00 0.00 H new ATOM 528 N GLY A 39 -5.762 27.520 -2.887 1.00 0.00 N ATOM 529 CA GLY A 39 -4.790 28.325 -2.169 1.00 0.00 C ATOM 530 C GLY A 39 -4.666 27.922 -0.713 1.00 0.00 C ATOM 531 O GLY A 39 -5.623 28.034 0.052 1.00 0.00 O ATOM 0 H GLY A 39 -6.713 27.888 -2.879 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.818 28.232 -2.653 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.077 29.375 -2.229 1.00 0.00 H new ATOM 535 N TRP A 40 -3.484 27.452 -0.331 1.00 0.00 N ATOM 536 CA TRP A 40 -3.239 27.029 1.044 1.00 0.00 C ATOM 537 C TRP A 40 -2.127 27.858 1.678 1.00 0.00 C ATOM 538 O TRP A 40 -1.091 28.103 1.058 1.00 0.00 O ATOM 539 CB TRP A 40 -2.872 25.545 1.085 1.00 0.00 C ATOM 540 CG TRP A 40 -4.057 24.637 0.948 1.00 0.00 C ATOM 541 CD1 TRP A 40 -5.242 24.728 1.620 1.00 0.00 C ATOM 542 CD2 TRP A 40 -4.168 23.498 0.087 1.00 0.00 C ATOM 543 NE1 TRP A 40 -6.084 23.716 1.229 1.00 0.00 N ATOM 544 CE2 TRP A 40 -5.449 22.948 0.289 1.00 0.00 C ATOM 545 CE3 TRP A 40 -3.312 22.891 -0.836 1.00 0.00 C ATOM 546 CZ2 TRP A 40 -5.891 21.820 -0.398 1.00 0.00 C ATOM 547 CZ3 TRP A 40 -3.752 21.772 -1.517 1.00 0.00 C ATOM 548 CH2 TRP A 40 -5.032 21.246 -1.296 1.00 0.00 C ATOM 0 H TRP A 40 -2.681 27.354 -0.952 1.00 0.00 H new ATOM 0 HA TRP A 40 -4.154 27.185 1.615 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -2.164 25.331 0.284 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -2.364 25.329 2.025 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -5.482 25.485 2.352 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -7.029 23.561 1.581 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -2.324 23.289 -1.014 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -6.877 21.413 -0.228 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -3.098 21.295 -2.232 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -5.347 20.371 -1.845 1.00 0.00 H new ATOM 559 N LEU A 41 -2.348 28.287 2.915 1.00 0.00 N ATOM 560 CA LEU A 41 -1.363 29.089 3.634 1.00 0.00 C ATOM 561 C LEU A 41 -0.181 28.233 4.076 1.00 0.00 C ATOM 562 O LEU A 41 -0.209 27.007 3.957 1.00 0.00 O ATOM 563 CB LEU A 41 -2.009 29.755 4.851 1.00 0.00 C ATOM 564 CG LEU A 41 -2.590 31.150 4.623 1.00 0.00 C ATOM 565 CD1 LEU A 41 -3.656 31.461 5.662 1.00 0.00 C ATOM 566 CD2 LEU A 41 -1.488 32.199 4.656 1.00 0.00 C ATOM 0 H LEU A 41 -3.200 28.094 3.442 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.995 29.861 2.957 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.806 29.106 5.215 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.263 29.819 5.644 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.055 31.172 3.638 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.058 32.458 5.484 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.459 30.728 5.590 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.216 31.420 6.658 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.920 33.186 4.492 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.993 32.176 5.627 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.760 31.987 3.873 1.00 0.00 H new ATOM 578 N THR A 42 0.857 28.885 4.589 1.00 0.00 N ATOM 579 CA THR A 42 2.048 28.184 5.050 1.00 0.00 C ATOM 580 C THR A 42 1.692 27.103 6.065 1.00 0.00 C ATOM 581 O THR A 42 2.319 26.044 6.104 1.00 0.00 O ATOM 582 CB THR A 42 3.061 29.155 5.686 1.00 0.00 C ATOM 583 OG1 THR A 42 2.477 29.796 6.826 1.00 0.00 O ATOM 584 CG2 THR A 42 3.507 30.206 4.681 1.00 0.00 C ATOM 0 H THR A 42 0.897 29.899 4.696 1.00 0.00 H new ATOM 0 HA THR A 42 2.501 27.721 4.173 1.00 0.00 H new ATOM 0 HB THR A 42 3.933 28.581 6.000 1.00 0.00 H new ATOM 0 HG1 THR A 42 3.128 30.410 7.225 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.222 30.880 5.153 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.978 29.717 3.828 1.00 0.00 H new ATOM 0 HG23 THR A 42 2.642 30.775 4.341 1.00 0.00 H new ATOM 592 N ASP A 43 0.683 27.377 6.884 1.00 0.00 N ATOM 593 CA ASP A 43 0.242 26.427 7.899 1.00 0.00 C ATOM 594 C ASP A 43 -0.745 25.423 7.311 1.00 0.00 C ATOM 595 O ASP A 43 -0.983 24.362 7.885 1.00 0.00 O ATOM 596 CB ASP A 43 -0.401 27.164 9.074 1.00 0.00 C ATOM 597 CG ASP A 43 0.615 27.590 10.116 1.00 0.00 C ATOM 598 OD1 ASP A 43 1.237 28.658 9.938 1.00 0.00 O ATOM 599 OD2 ASP A 43 0.788 26.854 11.110 1.00 0.00 O ATOM 0 H ASP A 43 0.155 28.249 6.865 1.00 0.00 H new ATOM 0 HA ASP A 43 1.117 25.884 8.256 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.927 28.043 8.703 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -1.146 26.519 9.540 1.00 0.00 H new ATOM 604 N GLY A 44 -1.318 25.768 6.161 1.00 0.00 N ATOM 605 CA GLY A 44 -2.274 24.887 5.516 1.00 0.00 C ATOM 606 C GLY A 44 -3.651 25.510 5.401 1.00 0.00 C ATOM 607 O GLY A 44 -4.484 25.049 4.622 1.00 0.00 O ATOM 0 H GLY A 44 -1.137 26.641 5.665 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -1.911 24.629 4.521 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -2.345 23.957 6.081 1.00 0.00 H new ATOM 611 N GLN A 45 -3.890 26.560 6.180 1.00 0.00 N ATOM 612 CA GLN A 45 -5.177 27.245 6.164 1.00 0.00 C ATOM 613 C GLN A 45 -5.515 27.735 4.759 1.00 0.00 C ATOM 614 O GLN A 45 -4.848 28.619 4.222 1.00 0.00 O ATOM 615 CB GLN A 45 -5.164 28.423 7.139 1.00 0.00 C ATOM 616 CG GLN A 45 -5.538 28.040 8.562 1.00 0.00 C ATOM 617 CD GLN A 45 -4.798 26.809 9.048 1.00 0.00 C ATOM 618 OE1 GLN A 45 -3.567 26.769 9.046 1.00 0.00 O ATOM 619 NE2 GLN A 45 -5.546 25.795 9.468 1.00 0.00 N ATOM 0 H GLN A 45 -3.210 26.955 6.830 1.00 0.00 H new ATOM 0 HA GLN A 45 -5.943 26.534 6.475 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -4.170 28.871 7.142 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -5.856 29.186 6.783 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -5.322 28.876 9.228 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -6.612 27.859 8.615 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -6.563 25.871 9.452 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -5.103 24.941 9.806 1.00 0.00 H new ATOM 628 N LYS A 46 -6.555 27.156 4.170 1.00 0.00 N ATOM 629 CA LYS A 46 -6.983 27.534 2.828 1.00 0.00 C ATOM 630 C LYS A 46 -7.705 28.877 2.846 1.00 0.00 C ATOM 631 O LYS A 46 -8.472 29.170 3.763 1.00 0.00 O ATOM 632 CB LYS A 46 -7.900 26.458 2.241 1.00 0.00 C ATOM 633 CG LYS A 46 -7.973 26.483 0.724 1.00 0.00 C ATOM 634 CD LYS A 46 -9.217 25.775 0.214 1.00 0.00 C ATOM 635 CE LYS A 46 -9.242 24.315 0.642 1.00 0.00 C ATOM 636 NZ LYS A 46 -10.480 23.625 0.186 1.00 0.00 N ATOM 0 H LYS A 46 -7.118 26.423 4.601 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.095 27.627 2.203 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -7.549 25.478 2.563 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.903 26.587 2.647 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -7.973 27.516 0.376 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -7.085 26.006 0.308 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -10.106 26.281 0.591 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.252 25.837 -0.874 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -8.370 23.802 0.236 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -9.171 24.254 1.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -10.459 22.633 0.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -11.311 24.098 0.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -10.535 23.661 -0.852 1.00 0.00 H new ATOM 650 N PHE A 47 -7.455 29.691 1.825 1.00 0.00 N ATOM 651 CA PHE A 47 -8.082 31.004 1.723 1.00 0.00 C ATOM 652 C PHE A 47 -8.946 31.098 0.470 1.00 0.00 C ATOM 653 O PHE A 47 -9.905 31.870 0.420 1.00 0.00 O ATOM 654 CB PHE A 47 -7.015 32.101 1.704 1.00 0.00 C ATOM 655 CG PHE A 47 -5.762 31.707 0.977 1.00 0.00 C ATOM 656 CD1 PHE A 47 -5.629 31.945 -0.381 1.00 0.00 C ATOM 657 CD2 PHE A 47 -4.716 31.098 1.652 1.00 0.00 C ATOM 658 CE1 PHE A 47 -4.477 31.582 -1.053 1.00 0.00 C ATOM 659 CE2 PHE A 47 -3.561 30.734 0.986 1.00 0.00 C ATOM 660 CZ PHE A 47 -3.441 30.977 -0.368 1.00 0.00 C ATOM 0 H PHE A 47 -6.823 29.465 1.057 1.00 0.00 H new ATOM 0 HA PHE A 47 -8.721 31.143 2.595 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -7.431 32.993 1.236 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -6.761 32.368 2.730 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -6.435 32.420 -0.921 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -4.804 30.906 2.711 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -4.387 31.771 -2.112 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -2.753 30.260 1.524 1.00 0.00 H new ATOM 0 HZ PHE A 47 -2.539 30.695 -0.890 1.00 0.00 H new ATOM 670 N ASP A 48 -8.601 30.308 -0.541 1.00 0.00 N ATOM 671 CA ASP A 48 -9.345 30.301 -1.795 1.00 0.00 C ATOM 672 C ASP A 48 -9.473 28.883 -2.343 1.00 0.00 C ATOM 673 O ASP A 48 -8.529 28.094 -2.278 1.00 0.00 O ATOM 674 CB ASP A 48 -8.658 31.199 -2.825 1.00 0.00 C ATOM 675 CG ASP A 48 -7.430 30.550 -3.432 1.00 0.00 C ATOM 676 OD1 ASP A 48 -7.590 29.566 -4.184 1.00 0.00 O ATOM 677 OD2 ASP A 48 -6.309 31.025 -3.155 1.00 0.00 O ATOM 0 H ASP A 48 -7.810 29.664 -0.516 1.00 0.00 H new ATOM 0 HA ASP A 48 -10.345 30.687 -1.598 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -9.365 31.444 -3.618 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -8.372 32.138 -2.351 1.00 0.00 H new ATOM 682 N SER A 49 -10.646 28.565 -2.881 1.00 0.00 N ATOM 683 CA SER A 49 -10.899 27.241 -3.436 1.00 0.00 C ATOM 684 C SER A 49 -11.973 27.300 -4.517 1.00 0.00 C ATOM 685 O SER A 49 -13.094 27.746 -4.270 1.00 0.00 O ATOM 686 CB SER A 49 -11.326 26.274 -2.329 1.00 0.00 C ATOM 687 OG SER A 49 -12.717 26.011 -2.391 1.00 0.00 O ATOM 0 H SER A 49 -11.436 29.207 -2.944 1.00 0.00 H new ATOM 0 HA SER A 49 -9.974 26.881 -3.887 1.00 0.00 H new ATOM 0 HB2 SER A 49 -10.772 25.340 -2.423 1.00 0.00 H new ATOM 0 HB3 SER A 49 -11.075 26.697 -1.356 1.00 0.00 H new ATOM 0 HG SER A 49 -12.965 25.390 -1.675 1.00 0.00 H new ATOM 693 N SER A 50 -11.623 26.849 -5.717 1.00 0.00 N ATOM 694 CA SER A 50 -12.555 26.854 -6.838 1.00 0.00 C ATOM 695 C SER A 50 -13.666 25.831 -6.625 1.00 0.00 C ATOM 696 O SER A 50 -14.769 25.974 -7.155 1.00 0.00 O ATOM 697 CB SER A 50 -11.816 26.557 -8.145 1.00 0.00 C ATOM 698 OG SER A 50 -12.706 26.070 -9.134 1.00 0.00 O ATOM 0 H SER A 50 -10.700 26.475 -5.938 1.00 0.00 H new ATOM 0 HA SER A 50 -13.004 27.845 -6.900 1.00 0.00 H new ATOM 0 HB2 SER A 50 -11.328 27.463 -8.505 1.00 0.00 H new ATOM 0 HB3 SER A 50 -11.031 25.823 -7.964 1.00 0.00 H new ATOM 0 HG SER A 50 -12.300 25.304 -9.591 1.00 0.00 H new ATOM 704 N LYS A 51 -13.368 24.797 -5.846 1.00 0.00 N ATOM 705 CA LYS A 51 -14.340 23.748 -5.561 1.00 0.00 C ATOM 706 C LYS A 51 -15.530 24.306 -4.786 1.00 0.00 C ATOM 707 O LYS A 51 -16.640 23.780 -4.871 1.00 0.00 O ATOM 708 CB LYS A 51 -13.684 22.619 -4.764 1.00 0.00 C ATOM 709 CG LYS A 51 -12.482 22.002 -5.460 1.00 0.00 C ATOM 710 CD LYS A 51 -12.893 20.863 -6.378 1.00 0.00 C ATOM 711 CE LYS A 51 -13.268 19.619 -5.588 1.00 0.00 C ATOM 712 NZ LYS A 51 -12.143 19.142 -4.737 1.00 0.00 N ATOM 0 H LYS A 51 -12.460 24.663 -5.400 1.00 0.00 H new ATOM 0 HA LYS A 51 -14.700 23.352 -6.511 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -13.373 23.004 -3.793 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -14.424 21.841 -4.576 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -11.963 22.767 -6.038 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -11.778 21.633 -4.714 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -13.739 21.175 -6.991 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -12.075 20.630 -7.059 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -14.132 19.835 -4.960 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -13.564 18.827 -6.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -12.305 18.149 -4.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -11.251 19.218 -5.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -12.087 19.725 -3.877 1.00 0.00 H new ATOM 726 N ASP A 52 -15.291 25.374 -4.032 1.00 0.00 N ATOM 727 CA ASP A 52 -16.344 26.004 -3.244 1.00 0.00 C ATOM 728 C ASP A 52 -17.536 26.370 -4.123 1.00 0.00 C ATOM 729 O ASP A 52 -18.684 26.090 -3.778 1.00 0.00 O ATOM 730 CB ASP A 52 -15.807 27.254 -2.545 1.00 0.00 C ATOM 731 CG ASP A 52 -16.916 28.135 -2.002 1.00 0.00 C ATOM 732 OD1 ASP A 52 -17.850 27.594 -1.373 1.00 0.00 O ATOM 733 OD2 ASP A 52 -16.849 29.365 -2.206 1.00 0.00 O ATOM 0 H ASP A 52 -14.378 25.821 -3.950 1.00 0.00 H new ATOM 0 HA ASP A 52 -16.677 25.290 -2.491 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -15.150 26.956 -1.728 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -15.202 27.828 -3.247 1.00 0.00 H new ATOM 738 N ARG A 53 -17.255 26.998 -5.260 1.00 0.00 N ATOM 739 CA ARG A 53 -18.304 27.404 -6.188 1.00 0.00 C ATOM 740 C ARG A 53 -18.834 26.205 -6.968 1.00 0.00 C ATOM 741 O ARG A 53 -19.842 26.303 -7.667 1.00 0.00 O ATOM 742 CB ARG A 53 -17.776 28.463 -7.157 1.00 0.00 C ATOM 743 CG ARG A 53 -18.830 29.465 -7.599 1.00 0.00 C ATOM 744 CD ARG A 53 -19.038 30.552 -6.556 1.00 0.00 C ATOM 745 NE ARG A 53 -20.087 30.202 -5.602 1.00 0.00 N ATOM 746 CZ ARG A 53 -20.473 30.998 -4.611 1.00 0.00 C ATOM 747 NH1 ARG A 53 -19.901 32.182 -4.445 1.00 0.00 N ATOM 748 NH2 ARG A 53 -21.435 30.609 -3.784 1.00 0.00 N ATOM 0 H ARG A 53 -16.310 27.237 -5.561 1.00 0.00 H new ATOM 0 HA ARG A 53 -19.123 27.829 -5.607 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -16.954 28.999 -6.683 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -17.368 27.966 -8.037 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -18.529 29.918 -8.543 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -19.772 28.948 -7.780 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -18.104 30.724 -6.021 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -19.297 31.487 -7.053 1.00 0.00 H new ATOM 0 HE ARG A 53 -20.548 29.298 -5.702 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -19.162 32.485 -5.079 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -20.200 32.791 -3.683 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -21.878 29.699 -3.909 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -21.731 31.220 -3.023 1.00 0.00 H new ATOM 762 N ASN A 54 -18.148 25.074 -6.843 1.00 0.00 N ATOM 763 CA ASN A 54 -18.549 23.855 -7.537 1.00 0.00 C ATOM 764 C ASN A 54 -18.459 24.037 -9.050 1.00 0.00 C ATOM 765 O ASN A 54 -19.391 23.701 -9.782 1.00 0.00 O ATOM 766 CB ASN A 54 -19.974 23.464 -7.143 1.00 0.00 C ATOM 767 CG ASN A 54 -20.255 21.992 -7.375 1.00 0.00 C ATOM 768 OD1 ASN A 54 -19.471 21.129 -6.978 1.00 0.00 O ATOM 769 ND2 ASN A 54 -21.377 21.699 -8.021 1.00 0.00 N ATOM 0 H ASN A 54 -17.312 24.976 -6.268 1.00 0.00 H new ATOM 0 HA ASN A 54 -17.867 23.057 -7.243 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -20.135 23.700 -6.091 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -20.683 24.061 -7.716 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -21.619 20.726 -8.207 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -21.997 22.447 -8.332 1.00 0.00 H new ATOM 776 N ASP A 55 -17.333 24.569 -9.511 1.00 0.00 N ATOM 777 CA ASP A 55 -17.121 24.794 -10.936 1.00 0.00 C ATOM 778 C ASP A 55 -15.636 24.956 -11.245 1.00 0.00 C ATOM 779 O ASP A 55 -14.886 25.584 -10.497 1.00 0.00 O ATOM 780 CB ASP A 55 -17.889 26.033 -11.398 1.00 0.00 C ATOM 781 CG ASP A 55 -17.493 26.472 -12.794 1.00 0.00 C ATOM 782 OD1 ASP A 55 -16.497 27.216 -12.923 1.00 0.00 O ATOM 783 OD2 ASP A 55 -18.178 26.071 -13.758 1.00 0.00 O ATOM 0 H ASP A 55 -16.553 24.853 -8.919 1.00 0.00 H new ATOM 0 HA ASP A 55 -17.493 23.923 -11.476 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -18.958 25.823 -11.376 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -17.710 26.850 -10.699 1.00 0.00 H new ATOM 788 N PRO A 56 -15.199 24.376 -12.373 1.00 0.00 N ATOM 789 CA PRO A 56 -13.800 24.442 -12.807 1.00 0.00 C ATOM 790 C PRO A 56 -13.398 25.843 -13.255 1.00 0.00 C ATOM 791 O PRO A 56 -14.186 26.558 -13.873 1.00 0.00 O ATOM 792 CB PRO A 56 -13.748 23.468 -13.986 1.00 0.00 C ATOM 793 CG PRO A 56 -15.143 23.429 -14.507 1.00 0.00 C ATOM 794 CD PRO A 56 -16.037 23.612 -13.312 1.00 0.00 C ATOM 0 HA PRO A 56 -13.111 24.193 -12.000 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -13.049 23.809 -14.750 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -13.416 22.479 -13.669 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -15.307 24.217 -15.242 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -15.347 22.481 -15.005 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -16.947 24.153 -13.570 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -16.344 22.655 -12.890 1.00 0.00 H new ATOM 802 N PHE A 57 -12.166 26.229 -12.939 1.00 0.00 N ATOM 803 CA PHE A 57 -11.659 27.545 -13.310 1.00 0.00 C ATOM 804 C PHE A 57 -11.069 27.525 -14.717 1.00 0.00 C ATOM 805 O PHE A 57 -9.956 27.043 -14.928 1.00 0.00 O ATOM 806 CB PHE A 57 -10.600 28.008 -12.307 1.00 0.00 C ATOM 807 CG PHE A 57 -9.875 29.253 -12.732 1.00 0.00 C ATOM 808 CD1 PHE A 57 -10.576 30.355 -13.195 1.00 0.00 C ATOM 809 CD2 PHE A 57 -8.493 29.321 -12.669 1.00 0.00 C ATOM 810 CE1 PHE A 57 -9.913 31.502 -13.586 1.00 0.00 C ATOM 811 CE2 PHE A 57 -7.824 30.466 -13.058 1.00 0.00 C ATOM 812 CZ PHE A 57 -8.534 31.558 -13.519 1.00 0.00 C ATOM 0 H PHE A 57 -11.501 25.649 -12.427 1.00 0.00 H new ATOM 0 HA PHE A 57 -12.494 28.245 -13.296 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -11.077 28.186 -11.343 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -9.875 27.207 -12.161 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -11.654 30.317 -13.251 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -7.932 28.470 -12.312 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -10.472 32.354 -13.944 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -6.746 30.507 -13.002 1.00 0.00 H new ATOM 0 HZ PHE A 57 -8.013 32.453 -13.826 1.00 0.00 H new ATOM 822 N ALA A 58 -11.823 28.051 -15.676 1.00 0.00 N ATOM 823 CA ALA A 58 -11.375 28.095 -17.062 1.00 0.00 C ATOM 824 C ALA A 58 -10.660 29.406 -17.367 1.00 0.00 C ATOM 825 O ALA A 58 -11.219 30.488 -17.182 1.00 0.00 O ATOM 826 CB ALA A 58 -12.555 27.904 -18.004 1.00 0.00 C ATOM 0 H ALA A 58 -12.747 28.453 -15.518 1.00 0.00 H new ATOM 0 HA ALA A 58 -10.666 27.281 -17.215 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -12.206 27.939 -19.036 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -13.022 26.938 -17.811 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -13.284 28.698 -17.840 1.00 0.00 H new ATOM 832 N PHE A 59 -9.420 29.304 -17.834 1.00 0.00 N ATOM 833 CA PHE A 59 -8.627 30.483 -18.162 1.00 0.00 C ATOM 834 C PHE A 59 -7.678 30.194 -19.322 1.00 0.00 C ATOM 835 O PHE A 59 -7.310 29.045 -19.567 1.00 0.00 O ATOM 836 CB PHE A 59 -7.831 30.945 -16.940 1.00 0.00 C ATOM 837 CG PHE A 59 -6.649 30.071 -16.629 1.00 0.00 C ATOM 838 CD1 PHE A 59 -6.814 28.879 -15.942 1.00 0.00 C ATOM 839 CD2 PHE A 59 -5.374 30.443 -17.023 1.00 0.00 C ATOM 840 CE1 PHE A 59 -5.729 28.073 -15.655 1.00 0.00 C ATOM 841 CE2 PHE A 59 -4.285 29.640 -16.739 1.00 0.00 C ATOM 842 CZ PHE A 59 -4.462 28.454 -16.053 1.00 0.00 C ATOM 0 H PHE A 59 -8.943 28.417 -17.994 1.00 0.00 H new ATOM 0 HA PHE A 59 -9.310 31.277 -18.463 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -7.485 31.965 -17.106 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -8.492 30.970 -16.074 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -7.802 28.576 -15.627 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -5.229 31.370 -17.558 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.871 27.146 -15.120 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.296 29.940 -17.053 1.00 0.00 H new ATOM 0 HZ PHE A 59 -3.612 27.826 -15.828 1.00 0.00 H new ATOM 852 N VAL A 60 -7.286 31.246 -20.034 1.00 0.00 N ATOM 853 CA VAL A 60 -6.380 31.108 -21.168 1.00 0.00 C ATOM 854 C VAL A 60 -4.931 31.006 -20.704 1.00 0.00 C ATOM 855 O VAL A 60 -4.425 31.891 -20.014 1.00 0.00 O ATOM 856 CB VAL A 60 -6.514 32.293 -22.141 1.00 0.00 C ATOM 857 CG1 VAL A 60 -5.587 32.113 -23.334 1.00 0.00 C ATOM 858 CG2 VAL A 60 -7.957 32.448 -22.596 1.00 0.00 C ATOM 0 H VAL A 60 -7.582 32.204 -19.845 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.658 30.190 -21.686 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.222 33.204 -21.619 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.696 32.961 -24.011 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.555 32.056 -22.988 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.845 31.194 -23.860 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -8.033 33.291 -23.283 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -8.279 31.537 -23.101 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -8.594 32.627 -21.730 1.00 0.00 H new ATOM 868 N LEU A 61 -4.268 29.920 -21.088 1.00 0.00 N ATOM 869 CA LEU A 61 -2.875 29.702 -20.712 1.00 0.00 C ATOM 870 C LEU A 61 -1.944 30.586 -21.536 1.00 0.00 C ATOM 871 O LEU A 61 -1.967 30.554 -22.765 1.00 0.00 O ATOM 872 CB LEU A 61 -2.500 28.231 -20.902 1.00 0.00 C ATOM 873 CG LEU A 61 -1.005 27.927 -20.998 1.00 0.00 C ATOM 874 CD1 LEU A 61 -0.246 28.622 -19.878 1.00 0.00 C ATOM 875 CD2 LEU A 61 -0.762 26.425 -20.956 1.00 0.00 C ATOM 0 H LEU A 61 -4.672 29.178 -21.659 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.762 29.967 -19.661 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.914 27.661 -20.070 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.983 27.868 -21.809 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.637 28.308 -21.951 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.817 28.394 -19.963 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.393 29.699 -19.953 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.617 28.271 -18.915 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.308 26.227 -21.026 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.146 26.020 -20.019 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.274 25.950 -21.793 1.00 0.00 H new ATOM 887 N GLY A 62 -1.124 31.375 -20.848 1.00 0.00 N ATOM 888 CA GLY A 62 -0.195 32.256 -21.532 1.00 0.00 C ATOM 889 C GLY A 62 0.336 33.352 -20.629 1.00 0.00 C ATOM 890 O GLY A 62 1.546 33.539 -20.515 1.00 0.00 O ATOM 0 H GLY A 62 -1.086 31.420 -19.830 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.640 31.670 -21.917 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.692 32.706 -22.391 1.00 0.00 H new ATOM 894 N GLY A 63 -0.572 34.079 -19.986 1.00 0.00 N ATOM 895 CA GLY A 63 -0.169 35.155 -19.099 1.00 0.00 C ATOM 896 C GLY A 63 -1.094 36.353 -19.183 1.00 0.00 C ATOM 897 O GLY A 63 -1.787 36.542 -20.181 1.00 0.00 O ATOM 0 H GLY A 63 -1.580 33.942 -20.063 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -0.148 34.787 -18.073 1.00 0.00 H new ATOM 0 HA3 GLY A 63 0.846 35.465 -19.347 1.00 0.00 H new ATOM 901 N GLY A 64 -1.105 37.164 -18.130 1.00 0.00 N ATOM 902 CA GLY A 64 -1.957 38.339 -18.108 1.00 0.00 C ATOM 903 C GLY A 64 -2.811 38.413 -16.858 1.00 0.00 C ATOM 904 O GLY A 64 -2.777 39.407 -16.133 1.00 0.00 O ATOM 0 H GLY A 64 -0.540 37.029 -17.292 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -1.338 39.234 -18.175 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.603 38.332 -18.986 1.00 0.00 H new ATOM 908 N MET A 65 -3.581 37.360 -16.607 1.00 0.00 N ATOM 909 CA MET A 65 -4.449 37.310 -15.436 1.00 0.00 C ATOM 910 C MET A 65 -3.892 36.354 -14.386 1.00 0.00 C ATOM 911 O MET A 65 -4.200 36.470 -13.200 1.00 0.00 O ATOM 912 CB MET A 65 -5.860 36.877 -15.839 1.00 0.00 C ATOM 913 CG MET A 65 -6.797 38.041 -16.117 1.00 0.00 C ATOM 914 SD MET A 65 -8.365 37.515 -16.836 1.00 0.00 S ATOM 915 CE MET A 65 -7.920 37.394 -18.566 1.00 0.00 C ATOM 0 H MET A 65 -3.622 36.530 -17.198 1.00 0.00 H new ATOM 0 HA MET A 65 -4.492 38.310 -15.004 1.00 0.00 H new ATOM 0 HB2 MET A 65 -5.799 36.250 -16.729 1.00 0.00 H new ATOM 0 HB3 MET A 65 -6.283 36.262 -15.045 1.00 0.00 H new ATOM 0 HG2 MET A 65 -6.990 38.577 -15.188 1.00 0.00 H new ATOM 0 HG3 MET A 65 -6.308 38.742 -16.794 1.00 0.00 H new ATOM 0 HE1 MET A 65 -8.788 37.078 -19.144 1.00 0.00 H new ATOM 0 HE2 MET A 65 -7.581 38.366 -18.923 1.00 0.00 H new ATOM 0 HE3 MET A 65 -7.119 36.664 -18.686 1.00 0.00 H new ATOM 925 N VAL A 66 -3.070 35.408 -14.830 1.00 0.00 N ATOM 926 CA VAL A 66 -2.469 34.433 -13.929 1.00 0.00 C ATOM 927 C VAL A 66 -1.072 34.868 -13.500 1.00 0.00 C ATOM 928 O VAL A 66 -0.584 35.919 -13.916 1.00 0.00 O ATOM 929 CB VAL A 66 -2.382 33.041 -14.584 1.00 0.00 C ATOM 930 CG1 VAL A 66 -3.741 32.618 -15.121 1.00 0.00 C ATOM 931 CG2 VAL A 66 -1.338 33.038 -15.691 1.00 0.00 C ATOM 0 H VAL A 66 -2.805 35.297 -15.809 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.114 34.374 -13.052 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.077 32.320 -13.826 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.660 31.633 -15.580 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.460 32.579 -14.302 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.078 33.339 -15.866 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.290 32.047 -16.143 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.611 33.770 -16.451 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.364 33.294 -15.274 1.00 0.00 H new ATOM 941 N ILE A 67 -0.434 34.053 -12.666 1.00 0.00 N ATOM 942 CA ILE A 67 0.907 34.354 -12.182 1.00 0.00 C ATOM 943 C ILE A 67 1.950 33.484 -12.877 1.00 0.00 C ATOM 944 O ILE A 67 1.615 32.498 -13.534 1.00 0.00 O ATOM 945 CB ILE A 67 1.016 34.148 -10.660 1.00 0.00 C ATOM 946 CG1 ILE A 67 1.057 32.655 -10.327 1.00 0.00 C ATOM 947 CG2 ILE A 67 -0.148 34.823 -9.950 1.00 0.00 C ATOM 948 CD1 ILE A 67 1.089 32.368 -8.842 1.00 0.00 C ATOM 0 H ILE A 67 -0.824 33.180 -12.312 1.00 0.00 H new ATOM 0 HA ILE A 67 1.098 35.402 -12.413 1.00 0.00 H new ATOM 0 HB ILE A 67 1.943 34.604 -10.312 1.00 0.00 H new ATOM 0 HG12 ILE A 67 0.184 32.169 -10.764 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.936 32.211 -10.794 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -0.057 34.669 -8.875 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.136 35.891 -10.166 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.086 34.393 -10.300 1.00 0.00 H new ATOM 0 HD11 ILE A 67 1.117 31.290 -8.680 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.976 32.824 -8.402 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.197 32.782 -8.372 1.00 0.00 H new ATOM 960 N LYS A 68 3.217 33.856 -12.727 1.00 0.00 N ATOM 961 CA LYS A 68 4.311 33.109 -13.337 1.00 0.00 C ATOM 962 C LYS A 68 4.185 31.619 -13.038 1.00 0.00 C ATOM 963 O LYS A 68 4.151 30.794 -13.951 1.00 0.00 O ATOM 964 CB LYS A 68 5.657 33.631 -12.829 1.00 0.00 C ATOM 965 CG LYS A 68 6.116 34.904 -13.519 1.00 0.00 C ATOM 966 CD LYS A 68 7.430 35.407 -12.944 1.00 0.00 C ATOM 967 CE LYS A 68 8.613 34.620 -13.487 1.00 0.00 C ATOM 968 NZ LYS A 68 8.861 33.379 -12.701 1.00 0.00 N ATOM 0 H LYS A 68 3.512 34.670 -12.188 1.00 0.00 H new ATOM 0 HA LYS A 68 4.258 33.250 -14.416 1.00 0.00 H new ATOM 0 HB2 LYS A 68 5.585 33.815 -11.757 1.00 0.00 H new ATOM 0 HB3 LYS A 68 6.413 32.859 -12.970 1.00 0.00 H new ATOM 0 HG2 LYS A 68 6.232 34.719 -14.587 1.00 0.00 H new ATOM 0 HG3 LYS A 68 5.352 35.674 -13.410 1.00 0.00 H new ATOM 0 HD2 LYS A 68 7.553 36.463 -13.184 1.00 0.00 H new ATOM 0 HD3 LYS A 68 7.407 35.328 -11.857 1.00 0.00 H new ATOM 0 HE2 LYS A 68 8.428 34.359 -14.529 1.00 0.00 H new ATOM 0 HE3 LYS A 68 9.505 35.246 -13.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 9.784 33.447 -12.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 8.113 33.265 -11.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 8.859 32.558 -13.339 1.00 0.00 H new ATOM 982 N GLY A 69 4.116 31.281 -11.754 1.00 0.00 N ATOM 983 CA GLY A 69 3.994 29.890 -11.359 1.00 0.00 C ATOM 984 C GLY A 69 2.811 29.203 -12.012 1.00 0.00 C ATOM 985 O GLY A 69 2.801 27.982 -12.166 1.00 0.00 O ATOM 0 H GLY A 69 4.142 31.945 -10.981 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.909 29.359 -11.622 1.00 0.00 H new ATOM 0 HA3 GLY A 69 3.892 29.831 -10.275 1.00 0.00 H new ATOM 989 N TRP A 70 1.811 29.989 -12.395 1.00 0.00 N ATOM 990 CA TRP A 70 0.616 29.449 -13.033 1.00 0.00 C ATOM 991 C TRP A 70 0.908 29.032 -14.471 1.00 0.00 C ATOM 992 O TRP A 70 0.737 27.869 -14.836 1.00 0.00 O ATOM 993 CB TRP A 70 -0.512 30.481 -13.008 1.00 0.00 C ATOM 994 CG TRP A 70 -1.730 30.012 -12.271 1.00 0.00 C ATOM 995 CD1 TRP A 70 -2.943 29.692 -12.813 1.00 0.00 C ATOM 996 CD2 TRP A 70 -1.854 29.813 -10.859 1.00 0.00 C ATOM 997 NE1 TRP A 70 -3.812 29.305 -11.822 1.00 0.00 N ATOM 998 CE2 TRP A 70 -3.169 29.370 -10.614 1.00 0.00 C ATOM 999 CE3 TRP A 70 -0.982 29.963 -9.778 1.00 0.00 C ATOM 1000 CZ2 TRP A 70 -3.629 29.079 -9.333 1.00 0.00 C ATOM 1001 CZ3 TRP A 70 -1.441 29.674 -8.507 1.00 0.00 C ATOM 1002 CH2 TRP A 70 -2.754 29.235 -8.293 1.00 0.00 C ATOM 0 H TRP A 70 1.804 31.002 -12.275 1.00 0.00 H new ATOM 0 HA TRP A 70 0.304 28.567 -12.474 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -0.146 31.397 -12.545 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -0.789 30.730 -14.032 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -3.183 29.737 -13.865 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -4.780 29.016 -11.963 1.00 0.00 H new ATOM 0 HE3 TRP A 70 0.033 30.299 -9.933 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -4.641 28.742 -9.166 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -0.776 29.789 -7.664 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -3.082 29.015 -7.288 1.00 0.00 H new ATOM 1013 N ASP A 71 1.349 29.987 -15.281 1.00 0.00 N ATOM 1014 CA ASP A 71 1.667 29.718 -16.679 1.00 0.00 C ATOM 1015 C ASP A 71 2.658 28.565 -16.799 1.00 0.00 C ATOM 1016 O ASP A 71 2.467 27.652 -17.601 1.00 0.00 O ATOM 1017 CB ASP A 71 2.239 30.971 -17.344 1.00 0.00 C ATOM 1018 CG ASP A 71 2.977 30.657 -18.631 1.00 0.00 C ATOM 1019 OD1 ASP A 71 2.428 29.902 -19.461 1.00 0.00 O ATOM 1020 OD2 ASP A 71 4.103 31.167 -18.809 1.00 0.00 O ATOM 0 H ASP A 71 1.495 30.955 -14.994 1.00 0.00 H new ATOM 0 HA ASP A 71 0.746 29.435 -17.188 1.00 0.00 H new ATOM 0 HB2 ASP A 71 1.429 31.669 -17.554 1.00 0.00 H new ATOM 0 HB3 ASP A 71 2.918 31.469 -16.651 1.00 0.00 H new ATOM 1025 N GLU A 72 3.716 28.615 -15.996 1.00 0.00 N ATOM 1026 CA GLU A 72 4.738 27.575 -16.015 1.00 0.00 C ATOM 1027 C GLU A 72 4.177 26.252 -15.501 1.00 0.00 C ATOM 1028 O GLU A 72 4.419 25.195 -16.083 1.00 0.00 O ATOM 1029 CB GLU A 72 5.940 27.994 -15.166 1.00 0.00 C ATOM 1030 CG GLU A 72 7.262 27.938 -15.914 1.00 0.00 C ATOM 1031 CD GLU A 72 7.590 26.545 -16.415 1.00 0.00 C ATOM 1032 OE1 GLU A 72 6.912 26.076 -17.354 1.00 0.00 O ATOM 1033 OE2 GLU A 72 8.524 25.922 -15.867 1.00 0.00 O ATOM 0 H GLU A 72 3.888 29.364 -15.325 1.00 0.00 H new ATOM 0 HA GLU A 72 5.061 27.438 -17.047 1.00 0.00 H new ATOM 0 HB2 GLU A 72 5.781 29.009 -14.802 1.00 0.00 H new ATOM 0 HB3 GLU A 72 5.999 27.347 -14.291 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.226 28.625 -16.759 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.061 28.282 -15.258 1.00 0.00 H new ATOM 1040 N GLY A 73 3.425 26.319 -14.406 1.00 0.00 N ATOM 1041 CA GLY A 73 2.842 25.121 -13.832 1.00 0.00 C ATOM 1042 C GLY A 73 1.973 24.368 -14.820 1.00 0.00 C ATOM 1043 O GLY A 73 2.206 23.190 -15.092 1.00 0.00 O ATOM 0 H GLY A 73 3.210 27.182 -13.907 1.00 0.00 H new ATOM 0 HA2 GLY A 73 3.639 24.465 -13.481 1.00 0.00 H new ATOM 0 HA3 GLY A 73 2.245 25.392 -12.961 1.00 0.00 H new ATOM 1047 N VAL A 74 0.966 25.049 -15.359 1.00 0.00 N ATOM 1048 CA VAL A 74 0.058 24.437 -16.322 1.00 0.00 C ATOM 1049 C VAL A 74 0.793 24.054 -17.602 1.00 0.00 C ATOM 1050 O VAL A 74 0.477 23.044 -18.230 1.00 0.00 O ATOM 1051 CB VAL A 74 -1.106 25.382 -16.675 1.00 0.00 C ATOM 1052 CG1 VAL A 74 -1.943 25.682 -15.440 1.00 0.00 C ATOM 1053 CG2 VAL A 74 -0.579 26.667 -17.297 1.00 0.00 C ATOM 0 H VAL A 74 0.759 26.025 -15.145 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.343 23.538 -15.853 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.745 24.887 -17.406 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.761 26.351 -15.708 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -2.350 24.753 -15.042 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.318 26.158 -14.684 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -1.415 27.323 -17.540 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.082 27.169 -16.591 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.026 26.431 -18.206 1.00 0.00 H new ATOM 1063 N GLN A 75 1.773 24.867 -17.982 1.00 0.00 N ATOM 1064 CA GLN A 75 2.552 24.612 -19.188 1.00 0.00 C ATOM 1065 C GLN A 75 3.145 23.207 -19.166 1.00 0.00 C ATOM 1066 O GLN A 75 3.429 22.626 -20.213 1.00 0.00 O ATOM 1067 CB GLN A 75 3.670 25.647 -19.326 1.00 0.00 C ATOM 1068 CG GLN A 75 3.327 26.790 -20.268 1.00 0.00 C ATOM 1069 CD GLN A 75 4.482 27.751 -20.465 1.00 0.00 C ATOM 1070 OE1 GLN A 75 5.061 27.831 -21.549 1.00 0.00 O ATOM 1071 NE2 GLN A 75 4.825 28.489 -19.415 1.00 0.00 N ATOM 0 H GLN A 75 2.046 25.707 -17.473 1.00 0.00 H new ATOM 0 HA GLN A 75 1.884 24.692 -20.045 1.00 0.00 H new ATOM 0 HB2 GLN A 75 3.900 26.055 -18.342 1.00 0.00 H new ATOM 0 HB3 GLN A 75 4.572 25.150 -19.684 1.00 0.00 H new ATOM 0 HG2 GLN A 75 3.030 26.382 -21.234 1.00 0.00 H new ATOM 0 HG3 GLN A 75 2.469 27.335 -19.874 1.00 0.00 H new ATOM 0 HE21 GLN A 75 4.318 28.391 -18.535 1.00 0.00 H new ATOM 0 HE22 GLN A 75 5.595 29.154 -19.489 1.00 0.00 H new ATOM 1080 N GLY A 76 3.328 22.665 -17.966 1.00 0.00 N ATOM 1081 CA GLY A 76 3.887 21.333 -17.831 1.00 0.00 C ATOM 1082 C GLY A 76 2.836 20.296 -17.484 1.00 0.00 C ATOM 1083 O GLY A 76 2.892 19.163 -17.961 1.00 0.00 O ATOM 0 H GLY A 76 3.099 23.125 -17.085 1.00 0.00 H new ATOM 0 HA2 GLY A 76 4.377 21.052 -18.763 1.00 0.00 H new ATOM 0 HA3 GLY A 76 4.655 21.341 -17.057 1.00 0.00 H new ATOM 1087 N MET A 77 1.876 20.685 -16.651 1.00 0.00 N ATOM 1088 CA MET A 77 0.809 19.780 -16.240 1.00 0.00 C ATOM 1089 C MET A 77 -0.066 19.397 -17.430 1.00 0.00 C ATOM 1090 O MET A 77 -0.254 20.187 -18.355 1.00 0.00 O ATOM 1091 CB MET A 77 -0.047 20.428 -15.150 1.00 0.00 C ATOM 1092 CG MET A 77 -0.954 19.446 -14.426 1.00 0.00 C ATOM 1093 SD MET A 77 -0.099 18.547 -13.117 1.00 0.00 S ATOM 1094 CE MET A 77 0.574 17.167 -14.039 1.00 0.00 C ATOM 0 H MET A 77 1.815 21.620 -16.248 1.00 0.00 H new ATOM 0 HA MET A 77 1.267 18.875 -15.841 1.00 0.00 H new ATOM 0 HB2 MET A 77 0.608 20.909 -14.423 1.00 0.00 H new ATOM 0 HB3 MET A 77 -0.658 21.212 -15.597 1.00 0.00 H new ATOM 0 HG2 MET A 77 -1.799 19.985 -13.999 1.00 0.00 H new ATOM 0 HG3 MET A 77 -1.360 18.734 -15.145 1.00 0.00 H new ATOM 0 HE1 MET A 77 0.453 16.250 -13.462 1.00 0.00 H new ATOM 0 HE2 MET A 77 0.046 17.071 -14.988 1.00 0.00 H new ATOM 0 HE3 MET A 77 1.633 17.339 -14.229 1.00 0.00 H new ATOM 1104 N LYS A 78 -0.599 18.180 -17.399 1.00 0.00 N ATOM 1105 CA LYS A 78 -1.455 17.692 -18.473 1.00 0.00 C ATOM 1106 C LYS A 78 -2.882 17.480 -17.978 1.00 0.00 C ATOM 1107 O LYS A 78 -3.148 17.537 -16.777 1.00 0.00 O ATOM 1108 CB LYS A 78 -0.901 16.382 -19.040 1.00 0.00 C ATOM 1109 CG LYS A 78 0.525 16.496 -19.550 1.00 0.00 C ATOM 1110 CD LYS A 78 1.321 15.233 -19.266 1.00 0.00 C ATOM 1111 CE LYS A 78 2.149 15.370 -17.997 1.00 0.00 C ATOM 1112 NZ LYS A 78 3.251 14.370 -17.942 1.00 0.00 N ATOM 0 H LYS A 78 -0.453 17.513 -16.641 1.00 0.00 H new ATOM 0 HA LYS A 78 -1.470 18.445 -19.261 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -0.941 15.615 -18.266 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.544 16.048 -19.854 1.00 0.00 H new ATOM 0 HG2 LYS A 78 0.514 16.687 -20.623 1.00 0.00 H new ATOM 0 HG3 LYS A 78 1.014 17.349 -19.079 1.00 0.00 H new ATOM 0 HD2 LYS A 78 0.641 14.387 -19.168 1.00 0.00 H new ATOM 0 HD3 LYS A 78 1.978 15.018 -20.109 1.00 0.00 H new ATOM 0 HE2 LYS A 78 2.568 16.375 -17.944 1.00 0.00 H new ATOM 0 HE3 LYS A 78 1.503 15.247 -17.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 3.791 14.497 -17.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 2.851 13.410 -17.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 3.882 14.503 -18.758 1.00 0.00 H new ATOM 1126 N VAL A 79 -3.797 17.234 -18.911 1.00 0.00 N ATOM 1127 CA VAL A 79 -5.197 17.011 -18.569 1.00 0.00 C ATOM 1128 C VAL A 79 -5.339 15.905 -17.529 1.00 0.00 C ATOM 1129 O VAL A 79 -4.872 14.785 -17.732 1.00 0.00 O ATOM 1130 CB VAL A 79 -6.027 16.642 -19.812 1.00 0.00 C ATOM 1131 CG1 VAL A 79 -7.502 16.536 -19.458 1.00 0.00 C ATOM 1132 CG2 VAL A 79 -5.808 17.662 -20.920 1.00 0.00 C ATOM 0 H VAL A 79 -3.594 17.184 -19.909 1.00 0.00 H new ATOM 0 HA VAL A 79 -5.574 17.946 -18.155 1.00 0.00 H new ATOM 0 HB VAL A 79 -5.695 15.669 -20.174 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -8.072 16.274 -20.349 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -7.640 15.765 -18.700 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -7.853 17.492 -19.071 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -6.402 17.386 -21.791 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.112 18.649 -20.571 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -4.753 17.683 -21.192 1.00 0.00 H new ATOM 1142 N GLY A 80 -5.988 16.227 -16.415 1.00 0.00 N ATOM 1143 CA GLY A 80 -6.181 15.250 -15.359 1.00 0.00 C ATOM 1144 C GLY A 80 -4.991 15.164 -14.424 1.00 0.00 C ATOM 1145 O GLY A 80 -4.991 14.376 -13.480 1.00 0.00 O ATOM 0 H GLY A 80 -6.384 17.147 -16.224 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -7.071 15.510 -14.786 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -6.362 14.271 -15.803 1.00 0.00 H new ATOM 1149 N GLY A 81 -3.973 15.978 -14.687 1.00 0.00 N ATOM 1150 CA GLY A 81 -2.785 15.974 -13.854 1.00 0.00 C ATOM 1151 C GLY A 81 -2.914 16.894 -12.656 1.00 0.00 C ATOM 1152 O GLY A 81 -3.404 18.017 -12.777 1.00 0.00 O ATOM 0 H GLY A 81 -3.950 16.640 -15.462 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -2.590 14.959 -13.509 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -1.925 16.278 -14.451 1.00 0.00 H new ATOM 1156 N VAL A 82 -2.474 16.418 -11.496 1.00 0.00 N ATOM 1157 CA VAL A 82 -2.543 17.205 -10.271 1.00 0.00 C ATOM 1158 C VAL A 82 -1.166 17.351 -9.633 1.00 0.00 C ATOM 1159 O VAL A 82 -0.475 16.362 -9.390 1.00 0.00 O ATOM 1160 CB VAL A 82 -3.505 16.570 -9.249 1.00 0.00 C ATOM 1161 CG1 VAL A 82 -3.646 17.461 -8.023 1.00 0.00 C ATOM 1162 CG2 VAL A 82 -4.861 16.308 -9.886 1.00 0.00 C ATOM 0 H VAL A 82 -2.066 15.491 -11.379 1.00 0.00 H new ATOM 0 HA VAL A 82 -2.918 18.190 -10.549 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.089 15.615 -8.929 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.329 16.996 -7.312 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.670 17.593 -7.555 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -4.039 18.432 -8.322 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -5.528 15.859 -9.150 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.287 17.249 -10.236 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.741 15.628 -10.729 1.00 0.00 H new ATOM 1172 N ARG A 83 -0.773 18.592 -9.364 1.00 0.00 N ATOM 1173 CA ARG A 83 0.523 18.869 -8.756 1.00 0.00 C ATOM 1174 C ARG A 83 0.446 20.091 -7.845 1.00 0.00 C ATOM 1175 O ARG A 83 -0.242 21.064 -8.152 1.00 0.00 O ATOM 1176 CB ARG A 83 1.581 19.091 -9.837 1.00 0.00 C ATOM 1177 CG ARG A 83 1.449 20.425 -10.554 1.00 0.00 C ATOM 1178 CD ARG A 83 2.648 20.699 -11.447 1.00 0.00 C ATOM 1179 NE ARG A 83 2.900 19.602 -12.377 1.00 0.00 N ATOM 1180 CZ ARG A 83 3.666 19.714 -13.456 1.00 0.00 C ATOM 1181 NH1 ARG A 83 4.253 20.869 -13.740 1.00 0.00 N ATOM 1182 NH2 ARG A 83 3.848 18.669 -14.254 1.00 0.00 N ATOM 0 H ARG A 83 -1.334 19.422 -9.558 1.00 0.00 H new ATOM 0 HA ARG A 83 0.805 18.005 -8.154 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.570 19.028 -9.384 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.514 18.286 -10.569 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.539 20.428 -11.154 1.00 0.00 H new ATOM 0 HG3 ARG A 83 1.350 21.225 -9.821 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.480 21.618 -12.008 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.531 20.860 -10.829 1.00 0.00 H new ATOM 0 HE ARG A 83 2.464 18.700 -12.187 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.117 21.674 -13.129 1.00 0.00 H new ATOM 0 HH12 ARG A 83 4.841 20.952 -14.569 1.00 0.00 H new ATOM 0 HH21 ARG A 83 3.399 17.779 -14.039 1.00 0.00 H new ATOM 0 HH22 ARG A 83 4.437 18.756 -15.082 1.00 0.00 H new ATOM 1196 N ARG A 84 1.156 20.032 -6.723 1.00 0.00 N ATOM 1197 CA ARG A 84 1.167 21.132 -5.767 1.00 0.00 C ATOM 1198 C ARG A 84 2.219 22.170 -6.145 1.00 0.00 C ATOM 1199 O ARG A 84 3.415 21.966 -5.927 1.00 0.00 O ATOM 1200 CB ARG A 84 1.437 20.607 -4.356 1.00 0.00 C ATOM 1201 CG ARG A 84 0.845 21.477 -3.259 1.00 0.00 C ATOM 1202 CD ARG A 84 1.225 20.967 -1.878 1.00 0.00 C ATOM 1203 NE ARG A 84 2.623 21.241 -1.558 1.00 0.00 N ATOM 1204 CZ ARG A 84 3.116 21.206 -0.325 1.00 0.00 C ATOM 1205 NH1 ARG A 84 2.328 20.908 0.699 1.00 0.00 N ATOM 1206 NH2 ARG A 84 4.400 21.467 -0.114 1.00 0.00 N ATOM 0 H ARG A 84 1.731 19.234 -6.454 1.00 0.00 H new ATOM 0 HA ARG A 84 0.187 21.609 -5.788 1.00 0.00 H new ATOM 0 HB2 ARG A 84 1.030 19.600 -4.268 1.00 0.00 H new ATOM 0 HB3 ARG A 84 2.514 20.530 -4.206 1.00 0.00 H new ATOM 0 HG2 ARG A 84 1.194 22.503 -3.378 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -0.241 21.497 -3.355 1.00 0.00 H new ATOM 0 HD2 ARG A 84 0.584 21.434 -1.130 1.00 0.00 H new ATOM 0 HD3 ARG A 84 1.045 19.893 -1.826 1.00 0.00 H new ATOM 0 HE ARG A 84 3.256 21.472 -2.324 1.00 0.00 H new ATOM 0 HH11 ARG A 84 1.341 20.705 0.541 1.00 0.00 H new ATOM 0 HH12 ARG A 84 2.709 20.882 1.645 1.00 0.00 H new ATOM 0 HH21 ARG A 84 5.010 21.695 -0.899 1.00 0.00 H new ATOM 0 HH22 ARG A 84 4.777 21.440 0.833 1.00 0.00 H new ATOM 1220 N LEU A 85 1.768 23.283 -6.713 1.00 0.00 N ATOM 1221 CA LEU A 85 2.670 24.354 -7.122 1.00 0.00 C ATOM 1222 C LEU A 85 2.934 25.315 -5.967 1.00 0.00 C ATOM 1223 O LEU A 85 2.020 25.977 -5.475 1.00 0.00 O ATOM 1224 CB LEU A 85 2.083 25.116 -8.311 1.00 0.00 C ATOM 1225 CG LEU A 85 2.964 26.216 -8.905 1.00 0.00 C ATOM 1226 CD1 LEU A 85 3.792 25.673 -10.059 1.00 0.00 C ATOM 1227 CD2 LEU A 85 2.113 27.391 -9.363 1.00 0.00 C ATOM 0 H LEU A 85 0.783 23.467 -6.901 1.00 0.00 H new ATOM 0 HA LEU A 85 3.617 23.904 -7.419 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.852 24.398 -9.098 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.139 25.563 -8.000 1.00 0.00 H new ATOM 0 HG LEU A 85 3.646 26.567 -8.130 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.412 26.470 -10.469 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.430 24.865 -9.701 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.128 25.294 -10.836 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.756 28.164 -9.783 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.407 27.055 -10.122 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.565 27.797 -8.512 1.00 0.00 H new ATOM 1239 N THR A 86 4.191 25.388 -5.540 1.00 0.00 N ATOM 1240 CA THR A 86 4.575 26.269 -4.445 1.00 0.00 C ATOM 1241 C THR A 86 5.128 27.590 -4.969 1.00 0.00 C ATOM 1242 O THR A 86 6.174 27.622 -5.617 1.00 0.00 O ATOM 1243 CB THR A 86 5.630 25.609 -3.537 1.00 0.00 C ATOM 1244 OG1 THR A 86 5.449 24.188 -3.528 1.00 0.00 O ATOM 1245 CG2 THR A 86 5.535 26.146 -2.117 1.00 0.00 C ATOM 0 H THR A 86 4.960 24.847 -5.936 1.00 0.00 H new ATOM 0 HA THR A 86 3.673 26.461 -3.863 1.00 0.00 H new ATOM 0 HB THR A 86 6.617 25.847 -3.933 1.00 0.00 H new ATOM 0 HG1 THR A 86 6.125 23.776 -2.950 1.00 0.00 H new ATOM 0 HG21 THR A 86 6.290 25.665 -1.495 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.702 27.223 -2.123 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.544 25.935 -1.714 1.00 0.00 H new ATOM 1253 N ILE A 87 4.419 28.677 -4.684 1.00 0.00 N ATOM 1254 CA ILE A 87 4.840 30.000 -5.125 1.00 0.00 C ATOM 1255 C ILE A 87 5.268 30.864 -3.943 1.00 0.00 C ATOM 1256 O ILE A 87 4.575 30.960 -2.930 1.00 0.00 O ATOM 1257 CB ILE A 87 3.717 30.721 -5.893 1.00 0.00 C ATOM 1258 CG1 ILE A 87 3.173 29.824 -7.007 1.00 0.00 C ATOM 1259 CG2 ILE A 87 4.226 32.036 -6.466 1.00 0.00 C ATOM 1260 CD1 ILE A 87 2.041 28.925 -6.560 1.00 0.00 C ATOM 0 H ILE A 87 3.550 28.667 -4.150 1.00 0.00 H new ATOM 0 HA ILE A 87 5.690 29.854 -5.792 1.00 0.00 H new ATOM 0 HB ILE A 87 2.905 30.939 -5.199 1.00 0.00 H new ATOM 0 HG12 ILE A 87 2.826 30.450 -7.830 1.00 0.00 H new ATOM 0 HG13 ILE A 87 3.984 29.208 -7.395 1.00 0.00 H new ATOM 0 HG21 ILE A 87 3.420 32.534 -7.006 1.00 0.00 H new ATOM 0 HG22 ILE A 87 4.570 32.678 -5.655 1.00 0.00 H new ATOM 0 HG23 ILE A 87 5.053 31.840 -7.148 1.00 0.00 H new ATOM 0 HD11 ILE A 87 1.705 28.318 -7.401 1.00 0.00 H new ATOM 0 HD12 ILE A 87 2.388 28.274 -5.758 1.00 0.00 H new ATOM 0 HD13 ILE A 87 1.213 29.535 -6.199 1.00 0.00 H new ATOM 1272 N PRO A 88 6.436 31.509 -4.074 1.00 0.00 N ATOM 1273 CA PRO A 88 6.982 32.379 -3.028 1.00 0.00 C ATOM 1274 C PRO A 88 6.178 33.664 -2.864 1.00 0.00 C ATOM 1275 O PRO A 88 5.290 33.975 -3.658 1.00 0.00 O ATOM 1276 CB PRO A 88 8.395 32.691 -3.528 1.00 0.00 C ATOM 1277 CG PRO A 88 8.317 32.534 -5.007 1.00 0.00 C ATOM 1278 CD PRO A 88 7.314 31.441 -5.255 1.00 0.00 C ATOM 0 HA PRO A 88 6.958 31.903 -2.048 1.00 0.00 H new ATOM 0 HB2 PRO A 88 8.698 33.701 -3.253 1.00 0.00 H new ATOM 0 HB3 PRO A 88 9.127 32.009 -3.096 1.00 0.00 H new ATOM 0 HG2 PRO A 88 8.006 33.464 -5.482 1.00 0.00 H new ATOM 0 HG3 PRO A 88 9.290 32.273 -5.424 1.00 0.00 H new ATOM 0 HD2 PRO A 88 6.759 31.607 -6.178 1.00 0.00 H new ATOM 0 HD3 PRO A 88 7.795 30.467 -5.343 1.00 0.00 H new ATOM 1286 N PRO A 89 6.495 34.431 -1.810 1.00 0.00 N ATOM 1287 CA PRO A 89 5.814 35.696 -1.519 1.00 0.00 C ATOM 1288 C PRO A 89 6.150 36.783 -2.535 1.00 0.00 C ATOM 1289 O PRO A 89 5.601 37.883 -2.484 1.00 0.00 O ATOM 1290 CB PRO A 89 6.347 36.075 -0.135 1.00 0.00 C ATOM 1291 CG PRO A 89 7.672 35.401 -0.041 1.00 0.00 C ATOM 1292 CD PRO A 89 7.542 34.122 -0.822 1.00 0.00 C ATOM 0 HA PRO A 89 4.730 35.594 -1.561 1.00 0.00 H new ATOM 0 HB2 PRO A 89 6.444 37.156 -0.031 1.00 0.00 H new ATOM 0 HB3 PRO A 89 5.675 35.738 0.654 1.00 0.00 H new ATOM 0 HG2 PRO A 89 8.461 36.031 -0.452 1.00 0.00 H new ATOM 0 HG3 PRO A 89 7.934 35.199 0.998 1.00 0.00 H new ATOM 0 HD2 PRO A 89 8.481 33.848 -1.304 1.00 0.00 H new ATOM 0 HD3 PRO A 89 7.257 33.287 -0.182 1.00 0.00 H new ATOM 1300 N GLN A 90 7.054 36.466 -3.456 1.00 0.00 N ATOM 1301 CA GLN A 90 7.463 37.416 -4.483 1.00 0.00 C ATOM 1302 C GLN A 90 6.731 37.149 -5.794 1.00 0.00 C ATOM 1303 O GLN A 90 6.246 38.074 -6.447 1.00 0.00 O ATOM 1304 CB GLN A 90 8.975 37.342 -4.705 1.00 0.00 C ATOM 1305 CG GLN A 90 9.577 38.636 -5.228 1.00 0.00 C ATOM 1306 CD GLN A 90 9.759 39.677 -4.141 1.00 0.00 C ATOM 1307 OE1 GLN A 90 9.023 40.663 -4.080 1.00 0.00 O ATOM 1308 NE2 GLN A 90 10.742 39.463 -3.275 1.00 0.00 N ATOM 0 H GLN A 90 7.517 35.559 -3.512 1.00 0.00 H new ATOM 0 HA GLN A 90 7.203 38.417 -4.140 1.00 0.00 H new ATOM 0 HB2 GLN A 90 9.460 37.080 -3.765 1.00 0.00 H new ATOM 0 HB3 GLN A 90 9.192 36.539 -5.410 1.00 0.00 H new ATOM 0 HG2 GLN A 90 10.542 38.423 -5.687 1.00 0.00 H new ATOM 0 HG3 GLN A 90 8.934 39.041 -6.010 1.00 0.00 H new ATOM 0 HE21 GLN A 90 11.328 38.632 -3.363 1.00 0.00 H new ATOM 0 HE22 GLN A 90 10.912 40.129 -2.521 1.00 0.00 H new ATOM 1317 N LEU A 91 6.656 35.878 -6.175 1.00 0.00 N ATOM 1318 CA LEU A 91 5.983 35.488 -7.410 1.00 0.00 C ATOM 1319 C LEU A 91 4.519 35.152 -7.149 1.00 0.00 C ATOM 1320 O LEU A 91 3.856 34.534 -7.980 1.00 0.00 O ATOM 1321 CB LEU A 91 6.690 34.287 -8.041 1.00 0.00 C ATOM 1322 CG LEU A 91 8.214 34.371 -8.120 1.00 0.00 C ATOM 1323 CD1 LEU A 91 8.773 33.193 -8.904 1.00 0.00 C ATOM 1324 CD2 LEU A 91 8.644 35.686 -8.753 1.00 0.00 C ATOM 0 H LEU A 91 7.053 35.101 -5.647 1.00 0.00 H new ATOM 0 HA LEU A 91 6.025 36.330 -8.100 1.00 0.00 H new ATOM 0 HB2 LEU A 91 6.424 33.395 -7.474 1.00 0.00 H new ATOM 0 HB3 LEU A 91 6.301 34.151 -9.050 1.00 0.00 H new ATOM 0 HG LEU A 91 8.614 34.331 -7.107 1.00 0.00 H new ATOM 0 HD11 LEU A 91 9.859 33.269 -8.950 1.00 0.00 H new ATOM 0 HD12 LEU A 91 8.495 32.262 -8.410 1.00 0.00 H new ATOM 0 HD13 LEU A 91 8.365 33.202 -9.915 1.00 0.00 H new ATOM 0 HD21 LEU A 91 9.732 35.728 -8.801 1.00 0.00 H new ATOM 0 HD22 LEU A 91 8.233 35.756 -9.760 1.00 0.00 H new ATOM 0 HD23 LEU A 91 8.275 36.517 -8.152 1.00 0.00 H new ATOM 1336 N GLY A 92 4.019 35.566 -5.988 1.00 0.00 N ATOM 1337 CA GLY A 92 2.635 35.302 -5.640 1.00 0.00 C ATOM 1338 C GLY A 92 1.834 36.573 -5.441 1.00 0.00 C ATOM 1339 O GLY A 92 0.953 36.891 -6.240 1.00 0.00 O ATOM 0 H GLY A 92 4.548 36.079 -5.283 1.00 0.00 H new ATOM 0 HA2 GLY A 92 2.174 34.705 -6.427 1.00 0.00 H new ATOM 0 HA3 GLY A 92 2.600 34.708 -4.727 1.00 0.00 H new ATOM 1343 N TYR A 93 2.139 37.301 -4.372 1.00 0.00 N ATOM 1344 CA TYR A 93 1.437 38.543 -4.068 1.00 0.00 C ATOM 1345 C TYR A 93 2.382 39.737 -4.153 1.00 0.00 C ATOM 1346 O TYR A 93 1.963 40.855 -4.449 1.00 0.00 O ATOM 1347 CB TYR A 93 0.812 38.471 -2.674 1.00 0.00 C ATOM 1348 CG TYR A 93 -0.560 37.835 -2.658 1.00 0.00 C ATOM 1349 CD1 TYR A 93 -1.634 38.436 -3.302 1.00 0.00 C ATOM 1350 CD2 TYR A 93 -0.781 36.632 -1.999 1.00 0.00 C ATOM 1351 CE1 TYR A 93 -2.889 37.858 -3.289 1.00 0.00 C ATOM 1352 CE2 TYR A 93 -2.032 36.046 -1.981 1.00 0.00 C ATOM 1353 CZ TYR A 93 -3.083 36.663 -2.627 1.00 0.00 C ATOM 1354 OH TYR A 93 -4.331 36.083 -2.613 1.00 0.00 O ATOM 0 H TYR A 93 2.867 37.053 -3.702 1.00 0.00 H new ATOM 0 HA TYR A 93 0.647 38.675 -4.807 1.00 0.00 H new ATOM 0 HB2 TYR A 93 1.473 37.906 -2.017 1.00 0.00 H new ATOM 0 HB3 TYR A 93 0.741 39.479 -2.264 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -1.486 39.371 -3.822 1.00 0.00 H new ATOM 0 HD2 TYR A 93 0.040 36.146 -1.492 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -3.714 38.339 -3.794 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -2.186 35.110 -1.464 1.00 0.00 H new ATOM 0 HH TYR A 93 -4.297 35.246 -2.105 1.00 0.00 H new ATOM 1364 N GLY A 94 3.663 39.490 -3.892 1.00 0.00 N ATOM 1365 CA GLY A 94 4.649 40.554 -3.945 1.00 0.00 C ATOM 1366 C GLY A 94 4.720 41.342 -2.652 1.00 0.00 C ATOM 1367 O GLY A 94 4.207 40.907 -1.622 1.00 0.00 O ATOM 0 H GLY A 94 4.035 38.573 -3.645 1.00 0.00 H new ATOM 0 HA2 GLY A 94 5.628 40.127 -4.161 1.00 0.00 H new ATOM 0 HA3 GLY A 94 4.407 41.229 -4.766 1.00 0.00 H new ATOM 1371 N ALA A 95 5.360 42.506 -2.706 1.00 0.00 N ATOM 1372 CA ALA A 95 5.497 43.357 -1.530 1.00 0.00 C ATOM 1373 C ALA A 95 4.132 43.761 -0.983 1.00 0.00 C ATOM 1374 O ALA A 95 3.977 43.994 0.216 1.00 0.00 O ATOM 1375 CB ALA A 95 6.319 44.593 -1.866 1.00 0.00 C ATOM 0 H ALA A 95 5.791 42.881 -3.551 1.00 0.00 H new ATOM 0 HA ALA A 95 6.015 42.788 -0.758 1.00 0.00 H new ATOM 0 HB1 ALA A 95 6.413 45.219 -0.979 1.00 0.00 H new ATOM 0 HB2 ALA A 95 7.310 44.290 -2.203 1.00 0.00 H new ATOM 0 HB3 ALA A 95 5.823 45.156 -2.657 1.00 0.00 H new ATOM 1381 N ARG A 96 3.144 43.842 -1.869 1.00 0.00 N ATOM 1382 CA ARG A 96 1.793 44.219 -1.475 1.00 0.00 C ATOM 1383 C ARG A 96 1.258 43.280 -0.398 1.00 0.00 C ATOM 1384 O ARG A 96 0.950 43.706 0.714 1.00 0.00 O ATOM 1385 CB ARG A 96 0.861 44.203 -2.688 1.00 0.00 C ATOM 1386 CG ARG A 96 -0.567 44.611 -2.365 1.00 0.00 C ATOM 1387 CD ARG A 96 -1.517 44.258 -3.499 1.00 0.00 C ATOM 1388 NE ARG A 96 -2.746 45.046 -3.448 1.00 0.00 N ATOM 1389 CZ ARG A 96 -2.805 46.336 -3.757 1.00 0.00 C ATOM 1390 NH1 ARG A 96 -1.710 46.981 -4.137 1.00 0.00 N ATOM 1391 NH2 ARG A 96 -3.960 46.985 -3.687 1.00 0.00 N ATOM 0 H ARG A 96 3.255 43.651 -2.865 1.00 0.00 H new ATOM 0 HA ARG A 96 1.830 45.229 -1.067 1.00 0.00 H new ATOM 0 HB2 ARG A 96 1.258 44.874 -3.449 1.00 0.00 H new ATOM 0 HB3 ARG A 96 0.855 43.201 -3.118 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -0.890 44.115 -1.450 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -0.606 45.684 -2.177 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -1.019 44.424 -4.454 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -1.764 43.198 -3.448 1.00 0.00 H new ATOM 0 HE ARG A 96 -3.606 44.580 -3.159 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -0.820 46.486 -4.192 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -1.758 47.972 -4.374 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -4.805 46.493 -3.395 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -4.003 47.976 -3.925 1.00 0.00 H new ATOM 1405 N GLY A 97 1.152 41.998 -0.737 1.00 0.00 N ATOM 1406 CA GLY A 97 0.654 41.019 0.211 1.00 0.00 C ATOM 1407 C GLY A 97 -0.798 41.253 0.579 1.00 0.00 C ATOM 1408 O GLY A 97 -1.300 42.371 0.468 1.00 0.00 O ATOM 0 H GLY A 97 1.402 41.621 -1.651 1.00 0.00 H new ATOM 0 HA2 GLY A 97 0.762 40.020 -0.213 1.00 0.00 H new ATOM 0 HA3 GLY A 97 1.264 41.050 1.114 1.00 0.00 H new ATOM 1412 N ALA A 98 -1.474 40.196 1.016 1.00 0.00 N ATOM 1413 CA ALA A 98 -2.876 40.292 1.401 1.00 0.00 C ATOM 1414 C ALA A 98 -3.034 41.053 2.713 1.00 0.00 C ATOM 1415 O ALA A 98 -2.088 41.173 3.490 1.00 0.00 O ATOM 1416 CB ALA A 98 -3.488 38.904 1.517 1.00 0.00 C ATOM 0 H ALA A 98 -1.073 39.263 1.112 1.00 0.00 H new ATOM 0 HA ALA A 98 -3.403 40.846 0.624 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -4.536 38.991 1.805 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -3.417 38.394 0.556 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -2.950 38.331 2.273 1.00 0.00 H new ATOM 1422 N GLY A 99 -4.237 41.566 2.954 1.00 0.00 N ATOM 1423 CA GLY A 99 -4.497 42.310 4.173 1.00 0.00 C ATOM 1424 C GLY A 99 -4.102 41.539 5.417 1.00 0.00 C ATOM 1425 O GLY A 99 -2.996 41.699 5.930 1.00 0.00 O ATOM 0 H GLY A 99 -5.036 41.480 2.326 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -3.950 43.252 4.144 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -5.557 42.559 4.224 1.00 0.00 H new ATOM 1429 N GLY A 100 -5.011 40.701 5.905 1.00 0.00 N ATOM 1430 CA GLY A 100 -4.734 39.916 7.094 1.00 0.00 C ATOM 1431 C GLY A 100 -3.817 38.742 6.814 1.00 0.00 C ATOM 1432 O GLY A 100 -2.600 38.845 6.969 1.00 0.00 O ATOM 0 H GLY A 100 -5.934 40.552 5.498 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -4.279 40.556 7.850 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -5.672 39.549 7.510 1.00 0.00 H new ATOM 1436 N VAL A 101 -4.402 37.622 6.401 1.00 0.00 N ATOM 1437 CA VAL A 101 -3.629 36.423 6.099 1.00 0.00 C ATOM 1438 C VAL A 101 -2.547 36.713 5.065 1.00 0.00 C ATOM 1439 O VAL A 101 -2.456 37.823 4.541 1.00 0.00 O ATOM 1440 CB VAL A 101 -4.533 35.290 5.576 1.00 0.00 C ATOM 1441 CG1 VAL A 101 -5.345 34.688 6.712 1.00 0.00 C ATOM 1442 CG2 VAL A 101 -5.444 35.803 4.471 1.00 0.00 C ATOM 0 H VAL A 101 -5.408 37.520 6.268 1.00 0.00 H new ATOM 0 HA VAL A 101 -3.161 36.104 7.031 1.00 0.00 H new ATOM 0 HB VAL A 101 -3.900 34.506 5.159 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -5.977 33.890 6.324 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -4.671 34.283 7.466 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -5.970 35.460 7.161 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -6.075 34.990 4.113 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -6.071 36.605 4.860 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -4.839 36.182 3.647 1.00 0.00 H new ATOM 1452 N ILE A 102 -1.727 35.707 4.777 1.00 0.00 N ATOM 1453 CA ILE A 102 -0.651 35.853 3.805 1.00 0.00 C ATOM 1454 C ILE A 102 0.382 36.871 4.278 1.00 0.00 C ATOM 1455 O ILE A 102 0.459 37.993 3.776 1.00 0.00 O ATOM 1456 CB ILE A 102 -1.190 36.287 2.429 1.00 0.00 C ATOM 1457 CG1 ILE A 102 -2.369 35.402 2.017 1.00 0.00 C ATOM 1458 CG2 ILE A 102 -0.086 36.227 1.385 1.00 0.00 C ATOM 1459 CD1 ILE A 102 -1.993 33.951 1.814 1.00 0.00 C ATOM 0 H ILE A 102 -1.788 34.782 5.203 1.00 0.00 H new ATOM 0 HA ILE A 102 -0.178 34.876 3.709 1.00 0.00 H new ATOM 0 HB ILE A 102 -1.540 37.317 2.500 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -3.144 35.465 2.781 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -2.799 35.790 1.094 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -0.482 36.537 0.418 1.00 0.00 H new ATOM 0 HG22 ILE A 102 0.726 36.894 1.675 1.00 0.00 H new ATOM 0 HG23 ILE A 102 0.291 35.207 1.313 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -2.877 33.383 1.524 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -1.240 33.877 1.029 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -1.591 33.546 2.743 1.00 0.00 H new ATOM 1471 N PRO A 103 1.197 36.472 5.265 1.00 0.00 N ATOM 1472 CA PRO A 103 2.242 37.334 5.826 1.00 0.00 C ATOM 1473 C PRO A 103 3.385 37.571 4.845 1.00 0.00 C ATOM 1474 O PRO A 103 3.510 36.894 3.824 1.00 0.00 O ATOM 1475 CB PRO A 103 2.735 36.547 7.043 1.00 0.00 C ATOM 1476 CG PRO A 103 2.424 35.125 6.726 1.00 0.00 C ATOM 1477 CD PRO A 103 1.161 35.149 5.910 1.00 0.00 C ATOM 0 HA PRO A 103 1.865 38.328 6.068 1.00 0.00 H new ATOM 0 HB2 PRO A 103 3.803 36.693 7.202 1.00 0.00 H new ATOM 0 HB3 PRO A 103 2.230 36.869 7.954 1.00 0.00 H new ATOM 0 HG2 PRO A 103 3.239 34.662 6.170 1.00 0.00 H new ATOM 0 HG3 PRO A 103 2.289 34.543 7.637 1.00 0.00 H new ATOM 0 HD2 PRO A 103 1.142 34.344 5.175 1.00 0.00 H new ATOM 0 HD3 PRO A 103 0.276 35.031 6.535 1.00 0.00 H new ATOM 1485 N PRO A 104 4.242 38.554 5.160 1.00 0.00 N ATOM 1486 CA PRO A 104 5.391 38.902 4.320 1.00 0.00 C ATOM 1487 C PRO A 104 6.469 37.823 4.337 1.00 0.00 C ATOM 1488 O PRO A 104 6.639 37.118 5.330 1.00 0.00 O ATOM 1489 CB PRO A 104 5.916 40.192 4.953 1.00 0.00 C ATOM 1490 CG PRO A 104 5.472 40.125 6.374 1.00 0.00 C ATOM 1491 CD PRO A 104 4.155 39.400 6.362 1.00 0.00 C ATOM 0 HA PRO A 104 5.112 39.009 3.272 1.00 0.00 H new ATOM 0 HB2 PRO A 104 7.002 40.255 4.880 1.00 0.00 H new ATOM 0 HB3 PRO A 104 5.511 41.072 4.453 1.00 0.00 H new ATOM 0 HG2 PRO A 104 6.203 39.597 6.987 1.00 0.00 H new ATOM 0 HG3 PRO A 104 5.364 41.124 6.797 1.00 0.00 H new ATOM 0 HD2 PRO A 104 4.016 38.804 7.264 1.00 0.00 H new ATOM 0 HD3 PRO A 104 3.315 40.093 6.306 1.00 0.00 H new ATOM 1499 N ASN A 105 7.196 37.702 3.230 1.00 0.00 N ATOM 1500 CA ASN A 105 8.258 36.709 3.119 1.00 0.00 C ATOM 1501 C ASN A 105 7.749 35.323 3.500 1.00 0.00 C ATOM 1502 O ASN A 105 8.443 34.558 4.171 1.00 0.00 O ATOM 1503 CB ASN A 105 9.440 37.094 4.010 1.00 0.00 C ATOM 1504 CG ASN A 105 9.822 38.555 3.866 1.00 0.00 C ATOM 1505 OD1 ASN A 105 10.567 38.927 2.960 1.00 0.00 O ATOM 1506 ND2 ASN A 105 9.311 39.391 4.763 1.00 0.00 N ATOM 0 H ASN A 105 7.069 38.279 2.398 1.00 0.00 H new ATOM 0 HA ASN A 105 8.589 36.682 2.081 1.00 0.00 H new ATOM 0 HB2 ASN A 105 9.189 36.888 5.051 1.00 0.00 H new ATOM 0 HB3 ASN A 105 10.298 36.471 3.759 1.00 0.00 H new ATOM 0 HD21 ASN A 105 9.532 40.386 4.717 1.00 0.00 H new ATOM 0 HD22 ASN A 105 8.697 39.038 5.497 1.00 0.00 H new ATOM 1513 N ALA A 106 6.534 35.005 3.068 1.00 0.00 N ATOM 1514 CA ALA A 106 5.932 33.710 3.361 1.00 0.00 C ATOM 1515 C ALA A 106 5.678 32.920 2.082 1.00 0.00 C ATOM 1516 O ALA A 106 5.307 33.486 1.053 1.00 0.00 O ATOM 1517 CB ALA A 106 4.637 33.893 4.138 1.00 0.00 C ATOM 0 H ALA A 106 5.946 35.627 2.513 1.00 0.00 H new ATOM 0 HA ALA A 106 6.632 33.142 3.974 1.00 0.00 H new ATOM 0 HB1 ALA A 106 4.199 32.918 4.350 1.00 0.00 H new ATOM 0 HB2 ALA A 106 4.845 34.409 5.076 1.00 0.00 H new ATOM 0 HB3 ALA A 106 3.938 34.484 3.546 1.00 0.00 H new ATOM 1523 N THR A 107 5.880 31.608 2.152 1.00 0.00 N ATOM 1524 CA THR A 107 5.674 30.740 0.999 1.00 0.00 C ATOM 1525 C THR A 107 4.216 30.309 0.889 1.00 0.00 C ATOM 1526 O THR A 107 3.651 29.747 1.829 1.00 0.00 O ATOM 1527 CB THR A 107 6.564 29.486 1.073 1.00 0.00 C ATOM 1528 OG1 THR A 107 7.945 29.861 1.018 1.00 0.00 O ATOM 1529 CG2 THR A 107 6.248 28.529 -0.066 1.00 0.00 C ATOM 0 H THR A 107 6.186 31.123 2.995 1.00 0.00 H new ATOM 0 HA THR A 107 5.947 31.318 0.116 1.00 0.00 H new ATOM 0 HB THR A 107 6.362 28.981 2.017 1.00 0.00 H new ATOM 0 HG1 THR A 107 8.504 29.058 1.067 1.00 0.00 H new ATOM 0 HG21 THR A 107 6.890 27.651 0.008 1.00 0.00 H new ATOM 0 HG22 THR A 107 5.204 28.222 -0.004 1.00 0.00 H new ATOM 0 HG23 THR A 107 6.424 29.027 -1.019 1.00 0.00 H new ATOM 1537 N LEU A 108 3.611 30.573 -0.264 1.00 0.00 N ATOM 1538 CA LEU A 108 2.217 30.211 -0.497 1.00 0.00 C ATOM 1539 C LEU A 108 2.117 28.886 -1.245 1.00 0.00 C ATOM 1540 O LEU A 108 2.739 28.703 -2.292 1.00 0.00 O ATOM 1541 CB LEU A 108 1.509 31.312 -1.289 1.00 0.00 C ATOM 1542 CG LEU A 108 1.439 32.683 -0.616 1.00 0.00 C ATOM 1543 CD1 LEU A 108 2.679 33.501 -0.940 1.00 0.00 C ATOM 1544 CD2 LEU A 108 0.181 33.424 -1.046 1.00 0.00 C ATOM 0 H LEU A 108 4.064 31.036 -1.052 1.00 0.00 H new ATOM 0 HA LEU A 108 1.730 30.098 0.471 1.00 0.00 H new ATOM 0 HB2 LEU A 108 2.015 31.425 -2.248 1.00 0.00 H new ATOM 0 HB3 LEU A 108 0.492 30.982 -1.503 1.00 0.00 H new ATOM 0 HG LEU A 108 1.399 32.535 0.463 1.00 0.00 H new ATOM 0 HD11 LEU A 108 2.611 34.473 -0.452 1.00 0.00 H new ATOM 0 HD12 LEU A 108 3.565 32.976 -0.582 1.00 0.00 H new ATOM 0 HD13 LEU A 108 2.751 33.640 -2.019 1.00 0.00 H new ATOM 0 HD21 LEU A 108 0.147 34.398 -0.557 1.00 0.00 H new ATOM 0 HD22 LEU A 108 0.191 33.561 -2.127 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -0.698 32.845 -0.762 1.00 0.00 H new ATOM 1556 N VAL A 109 1.328 27.964 -0.703 1.00 0.00 N ATOM 1557 CA VAL A 109 1.143 26.656 -1.321 1.00 0.00 C ATOM 1558 C VAL A 109 -0.145 26.611 -2.136 1.00 0.00 C ATOM 1559 O VAL A 109 -1.244 26.661 -1.584 1.00 0.00 O ATOM 1560 CB VAL A 109 1.109 25.536 -0.265 1.00 0.00 C ATOM 1561 CG1 VAL A 109 0.800 24.197 -0.916 1.00 0.00 C ATOM 1562 CG2 VAL A 109 2.426 25.478 0.493 1.00 0.00 C ATOM 0 H VAL A 109 0.806 28.099 0.163 1.00 0.00 H new ATOM 0 HA VAL A 109 1.994 26.495 -1.983 1.00 0.00 H new ATOM 0 HB VAL A 109 0.315 25.758 0.448 1.00 0.00 H new ATOM 0 HG11 VAL A 109 0.780 23.418 -0.154 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -0.171 24.247 -1.409 1.00 0.00 H new ATOM 0 HG13 VAL A 109 1.569 23.965 -1.653 1.00 0.00 H new ATOM 0 HG21 VAL A 109 2.384 24.681 1.235 1.00 0.00 H new ATOM 0 HG22 VAL A 109 3.239 25.281 -0.205 1.00 0.00 H new ATOM 0 HG23 VAL A 109 2.600 26.431 0.993 1.00 0.00 H new ATOM 1572 N PHE A 110 -0.001 26.515 -3.454 1.00 0.00 N ATOM 1573 CA PHE A 110 -1.153 26.464 -4.346 1.00 0.00 C ATOM 1574 C PHE A 110 -1.204 25.133 -5.092 1.00 0.00 C ATOM 1575 O PHE A 110 -0.198 24.674 -5.632 1.00 0.00 O ATOM 1576 CB PHE A 110 -1.102 27.620 -5.347 1.00 0.00 C ATOM 1577 CG PHE A 110 -1.504 28.941 -4.756 1.00 0.00 C ATOM 1578 CD1 PHE A 110 -2.832 29.337 -4.750 1.00 0.00 C ATOM 1579 CD2 PHE A 110 -0.554 29.788 -4.208 1.00 0.00 C ATOM 1580 CE1 PHE A 110 -3.205 30.552 -4.207 1.00 0.00 C ATOM 1581 CE2 PHE A 110 -0.921 31.004 -3.664 1.00 0.00 C ATOM 1582 CZ PHE A 110 -2.248 31.387 -3.664 1.00 0.00 C ATOM 0 H PHE A 110 0.902 26.471 -3.927 1.00 0.00 H new ATOM 0 HA PHE A 110 -2.054 26.557 -3.740 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -0.091 27.701 -5.745 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -1.758 27.392 -6.187 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -3.584 28.689 -5.175 1.00 0.00 H new ATOM 0 HD2 PHE A 110 0.485 29.494 -4.206 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -4.244 30.848 -4.207 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -0.171 31.654 -3.239 1.00 0.00 H new ATOM 0 HZ PHE A 110 -2.537 32.337 -3.240 1.00 0.00 H new ATOM 1592 N GLU A 111 -2.383 24.519 -5.116 1.00 0.00 N ATOM 1593 CA GLU A 111 -2.565 23.241 -5.793 1.00 0.00 C ATOM 1594 C GLU A 111 -3.260 23.432 -7.138 1.00 0.00 C ATOM 1595 O GLU A 111 -4.311 24.067 -7.222 1.00 0.00 O ATOM 1596 CB GLU A 111 -3.378 22.285 -4.918 1.00 0.00 C ATOM 1597 CG GLU A 111 -3.277 20.832 -5.348 1.00 0.00 C ATOM 1598 CD GLU A 111 -4.322 19.954 -4.686 1.00 0.00 C ATOM 1599 OE1 GLU A 111 -4.040 19.417 -3.594 1.00 0.00 O ATOM 1600 OE2 GLU A 111 -5.421 19.804 -5.260 1.00 0.00 O ATOM 0 H GLU A 111 -3.226 24.886 -4.674 1.00 0.00 H new ATOM 0 HA GLU A 111 -1.580 22.810 -5.970 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -3.040 22.374 -3.886 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -4.425 22.589 -4.938 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -3.388 20.769 -6.431 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -2.284 20.454 -5.106 1.00 0.00 H new ATOM 1607 N VAL A 112 -2.664 22.879 -8.190 1.00 0.00 N ATOM 1608 CA VAL A 112 -3.225 22.987 -9.531 1.00 0.00 C ATOM 1609 C VAL A 112 -3.510 21.611 -10.121 1.00 0.00 C ATOM 1610 O VAL A 112 -2.605 20.791 -10.273 1.00 0.00 O ATOM 1611 CB VAL A 112 -2.278 23.752 -10.475 1.00 0.00 C ATOM 1612 CG1 VAL A 112 -2.882 23.857 -11.867 1.00 0.00 C ATOM 1613 CG2 VAL A 112 -1.967 25.131 -9.915 1.00 0.00 C ATOM 0 H VAL A 112 -1.792 22.352 -8.139 1.00 0.00 H new ATOM 0 HA VAL A 112 -4.160 23.540 -9.439 1.00 0.00 H new ATOM 0 HB VAL A 112 -1.343 23.197 -10.551 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -2.199 24.400 -12.520 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -3.049 22.857 -12.268 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -3.832 24.389 -11.812 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -1.297 25.657 -10.595 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -2.892 25.697 -9.807 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -1.489 25.029 -8.941 1.00 0.00 H new ATOM 1623 N GLU A 113 -4.774 21.364 -10.451 1.00 0.00 N ATOM 1624 CA GLU A 113 -5.178 20.086 -11.023 1.00 0.00 C ATOM 1625 C GLU A 113 -5.913 20.290 -12.346 1.00 0.00 C ATOM 1626 O GLU A 113 -7.051 20.759 -12.371 1.00 0.00 O ATOM 1627 CB GLU A 113 -6.072 19.322 -10.044 1.00 0.00 C ATOM 1628 CG GLU A 113 -7.002 20.218 -9.243 1.00 0.00 C ATOM 1629 CD GLU A 113 -8.264 19.503 -8.801 1.00 0.00 C ATOM 1630 OE1 GLU A 113 -8.805 18.706 -9.596 1.00 0.00 O ATOM 1631 OE2 GLU A 113 -8.710 19.740 -7.659 1.00 0.00 O ATOM 0 H GLU A 113 -5.535 22.032 -10.332 1.00 0.00 H new ATOM 0 HA GLU A 113 -4.277 19.502 -11.213 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -6.668 18.597 -10.599 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -5.443 18.757 -9.356 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -6.474 20.591 -8.365 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -7.272 21.085 -9.845 1.00 0.00 H new ATOM 1638 N LEU A 114 -5.253 19.935 -13.443 1.00 0.00 N ATOM 1639 CA LEU A 114 -5.842 20.078 -14.770 1.00 0.00 C ATOM 1640 C LEU A 114 -7.104 19.232 -14.900 1.00 0.00 C ATOM 1641 O LEU A 114 -7.087 18.028 -14.637 1.00 0.00 O ATOM 1642 CB LEU A 114 -4.830 19.675 -15.844 1.00 0.00 C ATOM 1643 CG LEU A 114 -4.149 20.824 -16.589 1.00 0.00 C ATOM 1644 CD1 LEU A 114 -5.128 21.502 -17.535 1.00 0.00 C ATOM 1645 CD2 LEU A 114 -3.572 21.830 -15.604 1.00 0.00 C ATOM 0 H LEU A 114 -4.310 19.546 -13.440 1.00 0.00 H new ATOM 0 HA LEU A 114 -6.113 21.124 -14.910 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -4.058 19.064 -15.377 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -5.337 19.045 -16.575 1.00 0.00 H new ATOM 0 HG LEU A 114 -3.330 20.414 -17.180 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -4.625 22.317 -18.056 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -5.493 20.777 -18.262 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -5.968 21.899 -16.966 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -3.091 22.641 -16.152 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -4.373 22.235 -14.986 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -2.837 21.336 -14.968 1.00 0.00 H new ATOM 1657 N LEU A 115 -8.196 19.867 -15.309 1.00 0.00 N ATOM 1658 CA LEU A 115 -9.468 19.172 -15.477 1.00 0.00 C ATOM 1659 C LEU A 115 -9.786 18.969 -16.955 1.00 0.00 C ATOM 1660 O LEU A 115 -10.358 17.951 -17.343 1.00 0.00 O ATOM 1661 CB LEU A 115 -10.594 19.958 -14.804 1.00 0.00 C ATOM 1662 CG LEU A 115 -10.467 20.152 -13.293 1.00 0.00 C ATOM 1663 CD1 LEU A 115 -11.209 21.405 -12.851 1.00 0.00 C ATOM 1664 CD2 LEU A 115 -10.992 18.931 -12.553 1.00 0.00 C ATOM 0 H LEU A 115 -8.227 20.862 -15.531 1.00 0.00 H new ATOM 0 HA LEU A 115 -9.385 18.193 -15.005 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -10.655 20.940 -15.272 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -11.537 19.450 -15.007 1.00 0.00 H new ATOM 0 HG LEU A 115 -9.412 20.274 -13.049 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -11.107 21.527 -11.773 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -10.788 22.274 -13.356 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -12.264 21.313 -13.108 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -10.894 19.087 -11.479 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -12.042 18.778 -12.803 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -10.417 18.053 -12.846 1.00 0.00 H new ATOM 1676 N ASP A 116 -9.410 19.945 -17.775 1.00 0.00 N ATOM 1677 CA ASP A 116 -9.653 19.872 -19.211 1.00 0.00 C ATOM 1678 C ASP A 116 -8.942 21.008 -19.940 1.00 0.00 C ATOM 1679 O ASP A 116 -8.507 21.980 -19.323 1.00 0.00 O ATOM 1680 CB ASP A 116 -11.154 19.925 -19.500 1.00 0.00 C ATOM 1681 CG ASP A 116 -11.522 19.210 -20.786 1.00 0.00 C ATOM 1682 OD1 ASP A 116 -10.999 18.100 -21.018 1.00 0.00 O ATOM 1683 OD2 ASP A 116 -12.332 19.761 -21.559 1.00 0.00 O ATOM 0 H ASP A 116 -8.936 20.795 -17.470 1.00 0.00 H new ATOM 0 HA ASP A 116 -9.255 18.925 -19.574 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -11.697 19.475 -18.669 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -11.473 20.966 -19.562 1.00 0.00 H new ATOM 1688 N VAL A 117 -8.827 20.879 -21.258 1.00 0.00 N ATOM 1689 CA VAL A 117 -8.169 21.894 -22.072 1.00 0.00 C ATOM 1690 C VAL A 117 -9.182 22.872 -22.655 1.00 0.00 C ATOM 1691 O VAL A 117 -10.203 22.437 -23.186 1.00 0.00 O ATOM 1692 CB VAL A 117 -7.366 21.258 -23.222 1.00 0.00 C ATOM 1693 CG1 VAL A 117 -6.717 22.333 -24.080 1.00 0.00 C ATOM 1694 CG2 VAL A 117 -6.320 20.299 -22.674 1.00 0.00 C ATOM 0 H VAL A 117 -9.181 20.081 -21.785 1.00 0.00 H new ATOM 0 HA VAL A 117 -7.485 22.432 -21.415 1.00 0.00 H new ATOM 0 HB VAL A 117 -8.053 20.691 -23.851 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -6.154 21.864 -24.887 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -7.489 22.977 -24.502 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -6.042 22.930 -23.467 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -5.762 19.859 -23.500 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -5.635 20.841 -22.022 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -6.812 19.509 -22.107 1.00 0.00 H new TER 1704 VAL A 117 HETATM 1705 C1 L2S A 130 -4.928 32.289 -10.046 1.00 0.00 C HETATM 1706 N1 L2S A 130 -6.103 33.687 -7.795 1.00 0.00 N HETATM 1707 O1 L2S A 130 -6.155 35.454 -6.350 1.00 0.00 O HETATM 1708 S1 L2S A 130 -8.952 35.702 -5.778 1.00 0.00 S HETATM 1709 C2 L2S A 130 -4.501 33.719 -9.730 1.00 0.00 C HETATM 1710 C3 L2S A 130 -4.716 34.019 -8.235 1.00 0.00 C HETATM 1711 C4 L2S A 130 -6.647 32.362 -8.208 1.00 0.00 C HETATM 1712 C5 L2S A 130 -6.408 32.075 -9.698 1.00 0.00 C HETATM 1713 C6 L2S A 130 -6.708 34.483 -6.875 1.00 0.00 C HETATM 1714 C7 L2S A 130 -8.165 34.193 -6.484 1.00 0.00 C HETATM 1715 C8 L2S A 130 -8.100 35.990 -4.269 1.00 0.00 C HETATM 1716 C9 L2S A 130 -8.192 34.982 -3.282 1.00 0.00 C HETATM 1717 C10 L2S A 130 -7.701 35.224 -1.985 1.00 0.00 C HETATM 1718 C11 L2S A 130 -7.111 36.482 -1.698 1.00 0.00 C HETATM 1719 C12 L2S A 130 -7.015 37.489 -2.677 1.00 0.00 C HETATM 1720 C13 L2S A 130 -7.507 37.247 -3.973 1.00 0.00 C HETATM 1721 C14 L2S A 130 -6.622 36.725 -0.411 1.00 0.00 C HETATM 0 H314 L2S A 130 -7.434 36.634 0.310 1.00 0.00 H new HETATM 0 H214 L2S A 130 -5.844 35.999 -0.174 1.00 0.00 H new HETATM 0 H114 L2S A 130 -6.206 37.731 -0.364 1.00 0.00 H new HETATM 0 H113 L2S A 130 -7.434 38.016 -4.742 1.00 0.00 H new HETATM 0 H112 L2S A 130 -6.562 38.450 -2.433 1.00 0.00 H new HETATM 0 H9 L2S A 130 -8.642 34.019 -3.525 1.00 0.00 H new HETATM 0 H27 L2S A 130 -8.199 33.383 -5.756 1.00 0.00 H new HETATM 0 H25 L2S A 130 -7.031 32.730 -10.307 1.00 0.00 H new HETATM 0 H24 L2S A 130 -6.183 31.578 -7.610 1.00 0.00 H new HETATM 0 H23 L2S A 130 -4.517 35.074 -8.044 1.00 0.00 H new HETATM 0 H22 L2S A 130 -3.452 33.859 -9.989 1.00 0.00 H new HETATM 0 H21 L2S A 130 -4.764 32.080 -11.103 1.00 0.00 H new HETATM 0 H17 L2S A 130 -8.723 33.859 -7.358 1.00 0.00 H new HETATM 0 H15 L2S A 130 -6.700 31.051 -9.930 1.00 0.00 H new HETATM 0 H14 L2S A 130 -7.717 32.330 -8.001 1.00 0.00 H new HETATM 0 H13 L2S A 130 -4.001 33.447 -7.643 1.00 0.00 H new HETATM 0 H12 L2S A 130 -5.075 34.420 -10.336 1.00 0.00 H new HETATM 0 H11 L2S A 130 -4.312 31.588 -9.483 1.00 0.00 H new HETATM 0 H10 L2S A 130 -7.773 34.457 -1.214 1.00 0.00 H new