USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 777 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 3 SER OG : rot -100:sc= 0.58 USER MOD Set 1.2: A 86 ASN : amide:sc= -0.0768 K(o=0.5,f=-0.13) USER MOD Set 2.1: A 68 HIS : no HD1:sc= 0.751 K(o=2.9,f=-5.5!) USER MOD Set 2.2: A 81 THR OG1 : rot 125:sc= 2.21 USER MOD Set 2.3: A 84 ASN : amide:sc= -0.0429 K(o=2.9,f=-7.7!) USER MOD Set 3.1: A 72 LYS NZ :NH3+ -164:sc= 1.14 (180deg=0) USER MOD Set 3.2: A 79 TYR OH : rot 180:sc= 0.966 USER MOD Single : A 1 MET CE :methyl 161:sc= -0.121 (180deg=-0.612) USER MOD Single : A 1 MET N :NH3+ 139:sc= 0.0416 (180deg=-0.0145) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= -0.297 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 1.1 K(o=1.1,f=-0.11) USER MOD Single : A 24 TYR OH : rot 63:sc= 0.0549 USER MOD Single : A 25 ASN : amide:sc= -1.23 K(o=-1.2,f=-0.0068) USER MOD Single : A 29 THR OG1 : rot 110:sc= -0.979 USER MOD Single : A 30 SER OG : rot 91:sc= 0.201 USER MOD Single : A 34 LYS NZ :NH3+ -133:sc= 0.539 (180deg=-0.0293) USER MOD Single : A 38 LYS NZ :NH3+ -166:sc=-0.00422 (180deg=-0.167) USER MOD Single : A 39 SER OG : rot -173:sc= -0.61 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 87:sc= 1.23 USER MOD Single : A 49 ASN : amide:sc= -0.452 K(o=-0.45,f=-1.8) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 45:sc= -0.114 USER MOD Single : A 60 TYR OH : rot -122:sc= 1.27 USER MOD Single : A 64 GLN : amide:sc= 0.241 X(o=0.24,f=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 154:sc= -1.1 (180deg=-2.55!) USER MOD Single : A 75 HIS : no HD1:sc= -1.12 K(o=-1.1,f=-0.43) USER MOD Single : A 83 LYS NZ :NH3+ -164:sc= -0.0114 (180deg=-0.195) USER MOD Single : A 85 LYS NZ :NH3+ 150:sc= 0.617 (180deg=0.605) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=-0.031) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.551 9.729 -9.118 1.00 0.00 N ATOM 2 CA MET A 1 -17.355 9.162 -7.764 1.00 0.00 C ATOM 3 C MET A 1 -16.213 9.872 -7.049 1.00 0.00 C ATOM 4 O MET A 1 -15.259 10.326 -7.679 1.00 0.00 O ATOM 5 CB MET A 1 -17.067 7.655 -7.840 1.00 0.00 C ATOM 6 CG MET A 1 -15.769 7.306 -8.554 1.00 0.00 C ATOM 7 SD MET A 1 -15.431 5.533 -8.567 1.00 0.00 S ATOM 8 CE MET A 1 -16.839 4.925 -9.494 1.00 0.00 C ATOM 0 H1 MET A 1 -17.737 8.960 -9.793 1.00 0.00 H new ATOM 0 H2 MET A 1 -18.360 10.383 -9.107 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.694 10.243 -9.406 1.00 0.00 H new ATOM 0 HA MET A 1 -18.275 9.313 -7.199 1.00 0.00 H new ATOM 0 HB2 MET A 1 -17.033 7.251 -6.828 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.894 7.163 -8.352 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.815 7.670 -9.580 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.942 7.825 -8.069 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.620 3.928 -9.877 1.00 0.00 H new ATOM 0 HE2 MET A 1 -17.712 4.880 -8.842 1.00 0.00 H new ATOM 0 HE3 MET A 1 -17.043 5.597 -10.328 1.00 0.00 H new ATOM 18 N LYS A 2 -16.322 9.973 -5.734 1.00 0.00 N ATOM 19 CA LYS A 2 -15.288 10.588 -4.920 1.00 0.00 C ATOM 20 C LYS A 2 -15.039 9.721 -3.691 1.00 0.00 C ATOM 21 O LYS A 2 -15.753 9.820 -2.698 1.00 0.00 O ATOM 22 CB LYS A 2 -15.707 12.003 -4.500 1.00 0.00 C ATOM 23 CG LYS A 2 -14.582 12.833 -3.898 1.00 0.00 C ATOM 24 CD LYS A 2 -13.561 13.244 -4.952 1.00 0.00 C ATOM 25 CE LYS A 2 -14.184 14.133 -6.017 1.00 0.00 C ATOM 26 NZ LYS A 2 -13.196 14.555 -7.045 1.00 0.00 N ATOM 0 H LYS A 2 -17.125 9.633 -5.204 1.00 0.00 H new ATOM 0 HA LYS A 2 -14.369 10.666 -5.501 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -16.104 12.526 -5.370 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -16.518 11.930 -3.775 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -14.998 13.724 -3.427 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -14.086 12.260 -3.114 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -12.736 13.772 -4.474 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -13.142 12.353 -5.420 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -15.003 13.599 -6.500 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -14.614 15.016 -5.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -13.665 15.159 -7.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -12.427 15.087 -6.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -12.804 13.714 -7.515 1.00 0.00 H new ATOM 40 N SER A 3 -14.050 8.848 -3.782 1.00 0.00 N ATOM 41 CA SER A 3 -13.759 7.909 -2.708 1.00 0.00 C ATOM 42 C SER A 3 -12.359 8.151 -2.150 1.00 0.00 C ATOM 43 O SER A 3 -11.600 7.212 -1.893 1.00 0.00 O ATOM 44 CB SER A 3 -13.889 6.475 -3.228 1.00 0.00 C ATOM 45 OG SER A 3 -15.146 6.274 -3.855 1.00 0.00 O ATOM 0 H SER A 3 -13.433 8.769 -4.590 1.00 0.00 H new ATOM 0 HA SER A 3 -14.476 8.060 -1.901 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.088 6.267 -3.937 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.774 5.773 -2.402 1.00 0.00 H new ATOM 0 HG SER A 3 -15.754 5.824 -3.232 1.00 0.00 H new ATOM 51 N SER A 4 -12.025 9.422 -1.971 1.00 0.00 N ATOM 52 CA SER A 4 -10.745 9.806 -1.406 1.00 0.00 C ATOM 53 C SER A 4 -10.768 9.632 0.110 1.00 0.00 C ATOM 54 O SER A 4 -11.397 10.411 0.824 1.00 0.00 O ATOM 55 CB SER A 4 -10.429 11.255 -1.766 1.00 0.00 C ATOM 56 OG SER A 4 -10.576 11.477 -3.159 1.00 0.00 O ATOM 0 H SER A 4 -12.630 10.207 -2.212 1.00 0.00 H new ATOM 0 HA SER A 4 -9.968 9.164 -1.820 1.00 0.00 H new ATOM 0 HB2 SER A 4 -11.092 11.923 -1.216 1.00 0.00 H new ATOM 0 HB3 SER A 4 -9.410 11.495 -1.461 1.00 0.00 H new ATOM 0 HG SER A 4 -10.370 12.413 -3.365 1.00 0.00 H new ATOM 62 N ILE A 5 -10.094 8.603 0.589 1.00 0.00 N ATOM 63 CA ILE A 5 -10.092 8.284 2.009 1.00 0.00 C ATOM 64 C ILE A 5 -8.694 8.479 2.592 1.00 0.00 C ATOM 65 O ILE A 5 -7.706 8.052 1.994 1.00 0.00 O ATOM 66 CB ILE A 5 -10.568 6.830 2.253 1.00 0.00 C ATOM 67 CG1 ILE A 5 -11.949 6.616 1.625 1.00 0.00 C ATOM 68 CG2 ILE A 5 -10.610 6.516 3.743 1.00 0.00 C ATOM 69 CD1 ILE A 5 -12.475 5.204 1.775 1.00 0.00 C ATOM 0 H ILE A 5 -9.538 7.970 0.014 1.00 0.00 H new ATOM 0 HA ILE A 5 -10.786 8.961 2.508 1.00 0.00 H new ATOM 0 HB ILE A 5 -9.856 6.151 1.783 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -12.657 7.308 2.081 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -11.899 6.865 0.565 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -10.947 5.490 3.889 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -9.613 6.635 4.168 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -11.300 7.199 4.239 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -13.456 5.130 1.306 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -11.789 4.507 1.294 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -12.559 4.958 2.833 1.00 0.00 H new ATOM 81 N PRO A 6 -8.589 9.153 3.754 1.00 0.00 N ATOM 82 CA PRO A 6 -7.306 9.401 4.415 1.00 0.00 C ATOM 83 C PRO A 6 -6.657 8.121 4.937 1.00 0.00 C ATOM 84 O PRO A 6 -7.336 7.131 5.229 1.00 0.00 O ATOM 85 CB PRO A 6 -7.663 10.331 5.577 1.00 0.00 C ATOM 86 CG PRO A 6 -9.110 10.091 5.834 1.00 0.00 C ATOM 87 CD PRO A 6 -9.717 9.736 4.505 1.00 0.00 C ATOM 0 HA PRO A 6 -6.578 9.826 3.724 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -7.063 10.108 6.459 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -7.476 11.374 5.320 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -9.249 9.284 6.554 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -9.584 10.978 6.254 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -10.536 9.025 4.615 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -10.123 10.614 4.002 1.00 0.00 H new ATOM 95 N ILE A 7 -5.339 8.160 5.080 1.00 0.00 N ATOM 96 CA ILE A 7 -4.574 6.987 5.484 1.00 0.00 C ATOM 97 C ILE A 7 -4.908 6.559 6.915 1.00 0.00 C ATOM 98 O ILE A 7 -4.824 5.380 7.250 1.00 0.00 O ATOM 99 CB ILE A 7 -3.053 7.235 5.349 1.00 0.00 C ATOM 100 CG1 ILE A 7 -2.269 5.953 5.641 1.00 0.00 C ATOM 101 CG2 ILE A 7 -2.606 8.361 6.270 1.00 0.00 C ATOM 102 CD1 ILE A 7 -2.627 4.803 4.723 1.00 0.00 C ATOM 0 H ILE A 7 -4.775 8.995 4.922 1.00 0.00 H new ATOM 0 HA ILE A 7 -4.857 6.178 4.811 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.847 7.535 4.322 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.203 6.160 5.551 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.450 5.653 6.673 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.533 8.518 6.158 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.136 9.277 6.009 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -2.828 8.096 7.304 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.033 3.928 4.987 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -3.686 4.569 4.830 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -2.420 5.084 3.690 1.00 0.00 H new ATOM 114 N THR A 8 -5.324 7.512 7.746 1.00 0.00 N ATOM 115 CA THR A 8 -5.656 7.217 9.135 1.00 0.00 C ATOM 116 C THR A 8 -6.825 6.228 9.210 1.00 0.00 C ATOM 117 O THR A 8 -7.029 5.559 10.225 1.00 0.00 O ATOM 118 CB THR A 8 -5.988 8.509 9.923 1.00 0.00 C ATOM 119 OG1 THR A 8 -6.026 8.239 11.333 1.00 0.00 O ATOM 120 CG2 THR A 8 -7.319 9.105 9.480 1.00 0.00 C ATOM 0 H THR A 8 -5.438 8.491 7.482 1.00 0.00 H new ATOM 0 HA THR A 8 -4.781 6.760 9.597 1.00 0.00 H new ATOM 0 HB THR A 8 -5.201 9.233 9.713 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.235 9.064 11.819 1.00 0.00 H new ATOM 0 HG21 THR A 8 -7.521 10.010 10.053 1.00 0.00 H new ATOM 0 HG22 THR A 8 -7.273 9.350 8.419 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.116 8.382 9.651 1.00 0.00 H new ATOM 128 N GLU A 9 -7.583 6.133 8.119 1.00 0.00 N ATOM 129 CA GLU A 9 -8.646 5.149 8.007 1.00 0.00 C ATOM 130 C GLU A 9 -8.132 3.894 7.316 1.00 0.00 C ATOM 131 O GLU A 9 -8.228 2.794 7.856 1.00 0.00 O ATOM 132 CB GLU A 9 -9.826 5.717 7.214 1.00 0.00 C ATOM 133 CG GLU A 9 -10.627 6.764 7.965 1.00 0.00 C ATOM 134 CD GLU A 9 -11.237 6.214 9.236 1.00 0.00 C ATOM 135 OE1 GLU A 9 -11.967 5.205 9.165 1.00 0.00 O ATOM 136 OE2 GLU A 9 -10.967 6.777 10.319 1.00 0.00 O ATOM 0 H GLU A 9 -7.476 6.731 7.299 1.00 0.00 H new ATOM 0 HA GLU A 9 -8.982 4.897 9.013 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -9.452 6.155 6.289 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -10.489 4.899 6.933 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -9.981 7.607 8.209 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -11.418 7.145 7.320 1.00 0.00 H new ATOM 143 N VAL A 10 -7.557 4.077 6.135 1.00 0.00 N ATOM 144 CA VAL A 10 -7.189 2.957 5.278 1.00 0.00 C ATOM 145 C VAL A 10 -6.108 2.075 5.902 1.00 0.00 C ATOM 146 O VAL A 10 -6.163 0.859 5.774 1.00 0.00 O ATOM 147 CB VAL A 10 -6.724 3.443 3.891 1.00 0.00 C ATOM 148 CG1 VAL A 10 -6.283 2.275 3.024 1.00 0.00 C ATOM 149 CG2 VAL A 10 -7.834 4.223 3.201 1.00 0.00 C ATOM 0 H VAL A 10 -7.334 4.994 5.747 1.00 0.00 H new ATOM 0 HA VAL A 10 -8.090 2.354 5.163 1.00 0.00 H new ATOM 0 HB VAL A 10 -5.868 4.103 4.034 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -5.960 2.646 2.051 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -5.456 1.755 3.507 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.117 1.585 2.891 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -7.489 4.559 2.223 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -8.707 3.582 3.077 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -8.102 5.088 3.808 1.00 0.00 H new ATOM 159 N LEU A 11 -5.145 2.686 6.586 1.00 0.00 N ATOM 160 CA LEU A 11 -4.033 1.946 7.182 1.00 0.00 C ATOM 161 C LEU A 11 -4.521 0.803 8.097 1.00 0.00 C ATOM 162 O LEU A 11 -4.275 -0.367 7.795 1.00 0.00 O ATOM 163 CB LEU A 11 -3.099 2.913 7.927 1.00 0.00 C ATOM 164 CG LEU A 11 -2.162 2.279 8.957 1.00 0.00 C ATOM 165 CD1 LEU A 11 -1.226 1.280 8.299 1.00 0.00 C ATOM 166 CD2 LEU A 11 -1.371 3.355 9.685 1.00 0.00 C ATOM 0 H LEU A 11 -5.111 3.693 6.742 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.470 1.472 6.378 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.493 3.442 7.191 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.710 3.660 8.433 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.769 1.741 9.685 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -0.571 0.844 9.053 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.810 0.491 7.826 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.624 1.787 7.545 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.709 2.889 10.415 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.778 3.920 8.966 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.058 4.028 10.197 1.00 0.00 H new ATOM 178 N PRO A 12 -5.220 1.100 9.213 1.00 0.00 N ATOM 179 CA PRO A 12 -5.704 0.058 10.129 1.00 0.00 C ATOM 180 C PRO A 12 -6.824 -0.789 9.524 1.00 0.00 C ATOM 181 O PRO A 12 -7.026 -1.939 9.914 1.00 0.00 O ATOM 182 CB PRO A 12 -6.223 0.847 11.331 1.00 0.00 C ATOM 183 CG PRO A 12 -6.563 2.191 10.786 1.00 0.00 C ATOM 184 CD PRO A 12 -5.574 2.450 9.688 1.00 0.00 C ATOM 0 HA PRO A 12 -4.916 -0.654 10.376 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -7.096 0.367 11.772 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -5.468 0.917 12.114 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -7.584 2.211 10.405 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -6.496 2.955 11.560 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -6.009 3.054 8.891 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -4.700 2.988 10.055 1.00 0.00 H new ATOM 192 N ARG A 13 -7.549 -0.224 8.566 1.00 0.00 N ATOM 193 CA ARG A 13 -8.678 -0.912 7.962 1.00 0.00 C ATOM 194 C ARG A 13 -8.255 -1.697 6.719 1.00 0.00 C ATOM 195 O ARG A 13 -9.098 -2.239 6.000 1.00 0.00 O ATOM 196 CB ARG A 13 -9.770 0.099 7.614 1.00 0.00 C ATOM 197 CG ARG A 13 -10.353 0.794 8.839 1.00 0.00 C ATOM 198 CD ARG A 13 -11.327 1.899 8.457 1.00 0.00 C ATOM 199 NE ARG A 13 -12.517 1.382 7.786 1.00 0.00 N ATOM 200 CZ ARG A 13 -13.598 2.119 7.516 1.00 0.00 C ATOM 201 NH1 ARG A 13 -13.640 3.404 7.853 1.00 0.00 N ATOM 202 NH2 ARG A 13 -14.640 1.568 6.909 1.00 0.00 N ATOM 0 H ARG A 13 -7.373 0.709 8.192 1.00 0.00 H new ATOM 0 HA ARG A 13 -9.069 -1.630 8.683 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -9.360 0.850 6.938 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -10.570 -0.410 7.077 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.863 0.061 9.463 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.544 1.214 9.437 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -11.625 2.443 9.353 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.825 2.613 7.803 1.00 0.00 H new ATOM 0 HE ARG A 13 -12.523 0.401 7.507 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -12.843 3.835 8.322 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -14.469 3.959 7.643 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -14.616 0.582 6.649 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -15.466 2.130 6.702 1.00 0.00 H new ATOM 216 N ALA A 14 -6.954 -1.762 6.476 1.00 0.00 N ATOM 217 CA ALA A 14 -6.426 -2.513 5.346 1.00 0.00 C ATOM 218 C ALA A 14 -6.104 -3.946 5.746 1.00 0.00 C ATOM 219 O ALA A 14 -5.932 -4.253 6.927 1.00 0.00 O ATOM 220 CB ALA A 14 -5.184 -1.835 4.783 1.00 0.00 C ATOM 0 H ALA A 14 -6.244 -1.303 7.047 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.194 -2.536 4.573 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.805 -2.412 3.939 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.438 -0.829 4.449 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.418 -1.778 5.557 1.00 0.00 H new ATOM 226 N VAL A 15 -6.031 -4.816 4.752 1.00 0.00 N ATOM 227 CA VAL A 15 -5.712 -6.218 4.974 1.00 0.00 C ATOM 228 C VAL A 15 -4.415 -6.595 4.258 1.00 0.00 C ATOM 229 O VAL A 15 -3.944 -7.729 4.347 1.00 0.00 O ATOM 230 CB VAL A 15 -6.852 -7.139 4.491 1.00 0.00 C ATOM 231 CG1 VAL A 15 -8.077 -6.981 5.376 1.00 0.00 C ATOM 232 CG2 VAL A 15 -7.205 -6.842 3.039 1.00 0.00 C ATOM 0 H VAL A 15 -6.190 -4.573 3.774 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.586 -6.356 6.048 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.507 -8.171 4.557 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -8.870 -7.638 5.020 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.821 -7.244 6.402 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -8.420 -5.947 5.342 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -8.011 -7.502 2.718 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -7.528 -5.805 2.948 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -6.330 -7.006 2.411 1.00 0.00 H new ATOM 242 N GLY A 16 -3.846 -5.633 3.547 1.00 0.00 N ATOM 243 CA GLY A 16 -2.601 -5.859 2.843 1.00 0.00 C ATOM 244 C GLY A 16 -1.948 -4.558 2.442 1.00 0.00 C ATOM 245 O GLY A 16 -2.605 -3.518 2.426 1.00 0.00 O ATOM 0 H GLY A 16 -4.228 -4.693 3.445 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -1.921 -6.428 3.477 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -2.788 -6.462 1.955 1.00 0.00 H new ATOM 249 N SER A 17 -0.667 -4.602 2.117 1.00 0.00 N ATOM 250 CA SER A 17 0.056 -3.403 1.733 1.00 0.00 C ATOM 251 C SER A 17 1.259 -3.734 0.858 1.00 0.00 C ATOM 252 O SER A 17 1.949 -4.734 1.070 1.00 0.00 O ATOM 253 CB SER A 17 0.499 -2.639 2.984 1.00 0.00 C ATOM 254 OG SER A 17 1.094 -3.512 3.930 1.00 0.00 O ATOM 0 H SER A 17 -0.107 -5.455 2.112 1.00 0.00 H new ATOM 0 HA SER A 17 -0.615 -2.775 1.147 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.209 -1.860 2.706 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.360 -2.141 3.434 1.00 0.00 H new ATOM 0 HG SER A 17 1.370 -3.000 4.719 1.00 0.00 H new ATOM 260 N LEU A 18 1.484 -2.899 -0.143 1.00 0.00 N ATOM 261 CA LEU A 18 2.646 -3.015 -1.002 1.00 0.00 C ATOM 262 C LEU A 18 3.530 -1.785 -0.858 1.00 0.00 C ATOM 263 O LEU A 18 3.090 -0.666 -1.118 1.00 0.00 O ATOM 264 CB LEU A 18 2.221 -3.177 -2.457 1.00 0.00 C ATOM 265 CG LEU A 18 1.901 -4.608 -2.878 1.00 0.00 C ATOM 266 CD1 LEU A 18 1.321 -4.640 -4.282 1.00 0.00 C ATOM 267 CD2 LEU A 18 3.150 -5.468 -2.811 1.00 0.00 C ATOM 0 H LEU A 18 0.866 -2.123 -0.381 1.00 0.00 H new ATOM 0 HA LEU A 18 3.210 -3.898 -0.700 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.343 -2.557 -2.635 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.016 -2.795 -3.097 1.00 0.00 H new ATOM 0 HG LEU A 18 1.158 -5.008 -2.188 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.100 -5.670 -4.561 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.404 -4.052 -4.310 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.042 -4.221 -4.983 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.907 -6.486 -3.114 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.908 -5.061 -3.480 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.533 -5.475 -1.790 1.00 0.00 H new ATOM 279 N THR A 19 4.765 -1.993 -0.444 1.00 0.00 N ATOM 280 CA THR A 19 5.700 -0.899 -0.252 1.00 0.00 C ATOM 281 C THR A 19 6.560 -0.701 -1.496 1.00 0.00 C ATOM 282 O THR A 19 7.267 -1.610 -1.917 1.00 0.00 O ATOM 283 CB THR A 19 6.610 -1.164 0.962 1.00 0.00 C ATOM 284 OG1 THR A 19 5.805 -1.467 2.109 1.00 0.00 O ATOM 285 CG2 THR A 19 7.493 0.041 1.261 1.00 0.00 C ATOM 0 H THR A 19 5.147 -2.915 -0.233 1.00 0.00 H new ATOM 0 HA THR A 19 5.119 0.006 -0.071 1.00 0.00 H new ATOM 0 HB THR A 19 7.255 -2.011 0.728 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.385 -1.637 2.880 1.00 0.00 H new ATOM 0 HG21 THR A 19 8.124 -0.175 2.123 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.121 0.256 0.396 1.00 0.00 H new ATOM 0 HG23 THR A 19 6.867 0.906 1.478 1.00 0.00 H new ATOM 293 N PHE A 20 6.469 0.480 -2.085 1.00 0.00 N ATOM 294 CA PHE A 20 7.280 0.842 -3.241 1.00 0.00 C ATOM 295 C PHE A 20 8.251 1.961 -2.872 1.00 0.00 C ATOM 296 O PHE A 20 8.013 2.716 -1.924 1.00 0.00 O ATOM 297 CB PHE A 20 6.388 1.308 -4.398 1.00 0.00 C ATOM 298 CG PHE A 20 5.557 0.228 -5.028 1.00 0.00 C ATOM 299 CD1 PHE A 20 4.464 -0.303 -4.369 1.00 0.00 C ATOM 300 CD2 PHE A 20 5.865 -0.238 -6.293 1.00 0.00 C ATOM 301 CE1 PHE A 20 3.694 -1.285 -4.959 1.00 0.00 C ATOM 302 CE2 PHE A 20 5.101 -1.221 -6.888 1.00 0.00 C ATOM 303 CZ PHE A 20 4.015 -1.745 -6.220 1.00 0.00 C ATOM 0 H PHE A 20 5.833 1.215 -1.778 1.00 0.00 H new ATOM 0 HA PHE A 20 7.841 -0.039 -3.554 1.00 0.00 H new ATOM 0 HB2 PHE A 20 5.724 2.091 -4.033 1.00 0.00 H new ATOM 0 HB3 PHE A 20 7.018 1.756 -5.166 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.210 0.054 -3.382 1.00 0.00 H new ATOM 0 HD2 PHE A 20 6.713 0.172 -6.821 1.00 0.00 H new ATOM 0 HE1 PHE A 20 2.842 -1.693 -4.435 1.00 0.00 H new ATOM 0 HE2 PHE A 20 5.353 -1.579 -7.875 1.00 0.00 H new ATOM 0 HZ PHE A 20 3.416 -2.515 -6.683 1.00 0.00 H new ATOM 313 N ASP A 21 9.341 2.071 -3.613 1.00 0.00 N ATOM 314 CA ASP A 21 10.306 3.136 -3.375 1.00 0.00 C ATOM 315 C ASP A 21 9.997 4.327 -4.278 1.00 0.00 C ATOM 316 O ASP A 21 8.999 4.317 -4.998 1.00 0.00 O ATOM 317 CB ASP A 21 11.740 2.638 -3.601 1.00 0.00 C ATOM 318 CG ASP A 21 12.177 2.679 -5.051 1.00 0.00 C ATOM 319 OD1 ASP A 21 11.632 1.917 -5.871 1.00 0.00 O ATOM 320 OD2 ASP A 21 13.068 3.485 -5.374 1.00 0.00 O ATOM 0 H ASP A 21 9.581 1.442 -4.379 1.00 0.00 H new ATOM 0 HA ASP A 21 10.226 3.453 -2.335 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.424 3.245 -3.007 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.822 1.615 -3.235 1.00 0.00 H new ATOM 325 N GLU A 22 10.842 5.351 -4.234 1.00 0.00 N ATOM 326 CA GLU A 22 10.635 6.547 -5.037 1.00 0.00 C ATOM 327 C GLU A 22 10.735 6.247 -6.532 1.00 0.00 C ATOM 328 O GLU A 22 10.175 6.971 -7.354 1.00 0.00 O ATOM 329 CB GLU A 22 11.634 7.637 -4.646 1.00 0.00 C ATOM 330 CG GLU A 22 13.072 7.161 -4.531 1.00 0.00 C ATOM 331 CD GLU A 22 13.438 6.776 -3.113 1.00 0.00 C ATOM 332 OE1 GLU A 22 13.091 5.656 -2.685 1.00 0.00 O ATOM 333 OE2 GLU A 22 14.071 7.598 -2.417 1.00 0.00 O ATOM 0 H GLU A 22 11.677 5.375 -3.649 1.00 0.00 H new ATOM 0 HA GLU A 22 9.625 6.905 -4.837 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.587 8.437 -5.385 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.329 8.066 -3.692 1.00 0.00 H new ATOM 0 HG2 GLU A 22 13.223 6.304 -5.188 1.00 0.00 H new ATOM 0 HG3 GLU A 22 13.742 7.949 -4.876 1.00 0.00 H new ATOM 340 N ASN A 23 11.442 5.176 -6.879 1.00 0.00 N ATOM 341 CA ASN A 23 11.562 4.751 -8.263 1.00 0.00 C ATOM 342 C ASN A 23 10.419 3.813 -8.630 1.00 0.00 C ATOM 343 O ASN A 23 10.390 3.257 -9.728 1.00 0.00 O ATOM 344 CB ASN A 23 12.902 4.054 -8.495 1.00 0.00 C ATOM 345 CG ASN A 23 14.090 4.962 -8.256 1.00 0.00 C ATOM 346 OD1 ASN A 23 14.567 5.638 -9.169 1.00 0.00 O ATOM 347 ND2 ASN A 23 14.576 4.986 -7.027 1.00 0.00 N ATOM 0 H ASN A 23 11.942 4.586 -6.214 1.00 0.00 H new ATOM 0 HA ASN A 23 11.512 5.635 -8.898 1.00 0.00 H new ATOM 0 HB2 ASN A 23 12.974 3.189 -7.836 1.00 0.00 H new ATOM 0 HB3 ASN A 23 12.938 3.679 -9.518 1.00 0.00 H new ATOM 0 HD21 ASN A 23 15.375 5.580 -6.806 1.00 0.00 H new ATOM 0 HD22 ASN A 23 14.152 4.411 -6.299 1.00 0.00 H new ATOM 354 N TYR A 24 9.487 3.645 -7.694 1.00 0.00 N ATOM 355 CA TYR A 24 8.277 2.850 -7.898 1.00 0.00 C ATOM 356 C TYR A 24 8.589 1.363 -8.063 1.00 0.00 C ATOM 357 O TYR A 24 7.907 0.654 -8.803 1.00 0.00 O ATOM 358 CB TYR A 24 7.491 3.373 -9.107 1.00 0.00 C ATOM 359 CG TYR A 24 7.080 4.824 -8.977 1.00 0.00 C ATOM 360 CD1 TYR A 24 5.966 5.188 -8.233 1.00 0.00 C ATOM 361 CD2 TYR A 24 7.813 5.832 -9.591 1.00 0.00 C ATOM 362 CE1 TYR A 24 5.590 6.512 -8.108 1.00 0.00 C ATOM 363 CE2 TYR A 24 7.446 7.159 -9.472 1.00 0.00 C ATOM 364 CZ TYR A 24 6.333 7.493 -8.729 1.00 0.00 C ATOM 365 OH TYR A 24 5.964 8.815 -8.604 1.00 0.00 O ATOM 0 H TYR A 24 9.551 4.060 -6.765 1.00 0.00 H new ATOM 0 HA TYR A 24 7.663 2.954 -7.003 1.00 0.00 H new ATOM 0 HB2 TYR A 24 8.098 3.254 -10.004 1.00 0.00 H new ATOM 0 HB3 TYR A 24 6.599 2.762 -9.243 1.00 0.00 H new ATOM 0 HD1 TYR A 24 5.383 4.423 -7.743 1.00 0.00 H new ATOM 0 HD2 TYR A 24 8.686 5.574 -10.172 1.00 0.00 H new ATOM 0 HE1 TYR A 24 4.719 6.777 -7.527 1.00 0.00 H new ATOM 0 HE2 TYR A 24 8.027 7.929 -9.958 1.00 0.00 H new ATOM 0 HH TYR A 24 6.020 9.083 -7.663 1.00 0.00 H new ATOM 375 N ASN A 25 9.608 0.887 -7.358 1.00 0.00 N ATOM 376 CA ASN A 25 9.930 -0.536 -7.342 1.00 0.00 C ATOM 377 C ASN A 25 9.409 -1.172 -6.065 1.00 0.00 C ATOM 378 O ASN A 25 9.375 -0.530 -5.015 1.00 0.00 O ATOM 379 CB ASN A 25 11.441 -0.765 -7.446 1.00 0.00 C ATOM 380 CG ASN A 25 12.016 -0.329 -8.776 1.00 0.00 C ATOM 381 OD1 ASN A 25 12.071 -1.107 -9.731 1.00 0.00 O ATOM 382 ND2 ASN A 25 12.458 0.915 -8.848 1.00 0.00 N ATOM 0 H ASN A 25 10.226 1.465 -6.789 1.00 0.00 H new ATOM 0 HA ASN A 25 9.451 -0.997 -8.206 1.00 0.00 H new ATOM 0 HB2 ASN A 25 11.941 -0.221 -6.645 1.00 0.00 H new ATOM 0 HB3 ASN A 25 11.654 -1.823 -7.294 1.00 0.00 H new ATOM 0 HD21 ASN A 25 12.863 1.263 -9.717 1.00 0.00 H new ATOM 0 HD22 ASN A 25 12.394 1.527 -8.034 1.00 0.00 H new ATOM 389 N LEU A 26 8.996 -2.429 -6.156 1.00 0.00 N ATOM 390 CA LEU A 26 8.478 -3.146 -5.004 1.00 0.00 C ATOM 391 C LEU A 26 9.580 -3.410 -3.981 1.00 0.00 C ATOM 392 O LEU A 26 10.612 -4.004 -4.299 1.00 0.00 O ATOM 393 CB LEU A 26 7.845 -4.463 -5.450 1.00 0.00 C ATOM 394 CG LEU A 26 7.322 -5.345 -4.319 1.00 0.00 C ATOM 395 CD1 LEU A 26 6.353 -4.566 -3.446 1.00 0.00 C ATOM 396 CD2 LEU A 26 6.657 -6.586 -4.885 1.00 0.00 C ATOM 0 H LEU A 26 9.011 -2.972 -7.019 1.00 0.00 H new ATOM 0 HA LEU A 26 7.718 -2.526 -4.529 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.021 -4.241 -6.128 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.583 -5.028 -6.020 1.00 0.00 H new ATOM 0 HG LEU A 26 8.163 -5.658 -3.701 1.00 0.00 H new ATOM 0 HD11 LEU A 26 5.989 -5.208 -2.644 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.863 -3.703 -3.017 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.511 -4.227 -4.050 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.289 -7.206 -4.068 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.823 -6.293 -5.523 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.381 -7.151 -5.472 1.00 0.00 H new ATOM 408 N LEU A 27 9.352 -2.959 -2.760 1.00 0.00 N ATOM 409 CA LEU A 27 10.290 -3.165 -1.671 1.00 0.00 C ATOM 410 C LEU A 27 9.793 -4.245 -0.717 1.00 0.00 C ATOM 411 O LEU A 27 10.537 -5.154 -0.350 1.00 0.00 O ATOM 412 CB LEU A 27 10.498 -1.869 -0.887 1.00 0.00 C ATOM 413 CG LEU A 27 11.037 -0.688 -1.691 1.00 0.00 C ATOM 414 CD1 LEU A 27 11.170 0.531 -0.796 1.00 0.00 C ATOM 415 CD2 LEU A 27 12.374 -1.038 -2.330 1.00 0.00 C ATOM 0 H LEU A 27 8.514 -2.441 -2.496 1.00 0.00 H new ATOM 0 HA LEU A 27 11.235 -3.483 -2.111 1.00 0.00 H new ATOM 0 HB2 LEU A 27 9.546 -1.578 -0.443 1.00 0.00 H new ATOM 0 HB3 LEU A 27 11.185 -2.069 -0.065 1.00 0.00 H new ATOM 0 HG LEU A 27 10.333 -0.458 -2.491 1.00 0.00 H new ATOM 0 HD11 LEU A 27 11.555 1.369 -1.377 1.00 0.00 H new ATOM 0 HD12 LEU A 27 10.193 0.791 -0.388 1.00 0.00 H new ATOM 0 HD13 LEU A 27 11.857 0.310 0.021 1.00 0.00 H new ATOM 0 HD21 LEU A 27 12.741 -0.183 -2.898 1.00 0.00 H new ATOM 0 HD22 LEU A 27 13.094 -1.292 -1.552 1.00 0.00 H new ATOM 0 HD23 LEU A 27 12.246 -1.890 -2.998 1.00 0.00 H new ATOM 427 N ASP A 28 8.532 -4.137 -0.313 1.00 0.00 N ATOM 428 CA ASP A 28 7.967 -5.038 0.686 1.00 0.00 C ATOM 429 C ASP A 28 6.520 -5.383 0.366 1.00 0.00 C ATOM 430 O ASP A 28 5.739 -4.517 -0.026 1.00 0.00 O ATOM 431 CB ASP A 28 8.064 -4.391 2.069 1.00 0.00 C ATOM 432 CG ASP A 28 7.370 -5.189 3.156 1.00 0.00 C ATOM 433 OD1 ASP A 28 7.860 -6.285 3.501 1.00 0.00 O ATOM 434 OD2 ASP A 28 6.340 -4.716 3.681 1.00 0.00 O ATOM 0 H ASP A 28 7.881 -3.434 -0.662 1.00 0.00 H new ATOM 0 HA ASP A 28 8.538 -5.966 0.676 1.00 0.00 H new ATOM 0 HB2 ASP A 28 9.115 -4.269 2.332 1.00 0.00 H new ATOM 0 HB3 ASP A 28 7.628 -3.393 2.027 1.00 0.00 H new ATOM 439 N THR A 29 6.174 -6.650 0.533 1.00 0.00 N ATOM 440 CA THR A 29 4.828 -7.123 0.267 1.00 0.00 C ATOM 441 C THR A 29 4.224 -7.737 1.532 1.00 0.00 C ATOM 442 O THR A 29 4.774 -8.684 2.095 1.00 0.00 O ATOM 443 CB THR A 29 4.836 -8.167 -0.866 1.00 0.00 C ATOM 444 OG1 THR A 29 5.509 -7.636 -2.016 1.00 0.00 O ATOM 445 CG2 THR A 29 3.425 -8.567 -1.248 1.00 0.00 C ATOM 0 H THR A 29 6.816 -7.374 0.855 1.00 0.00 H new ATOM 0 HA THR A 29 4.220 -6.273 -0.043 1.00 0.00 H new ATOM 0 HB THR A 29 5.363 -9.051 -0.507 1.00 0.00 H new ATOM 0 HG1 THR A 29 6.364 -8.099 -2.137 1.00 0.00 H new ATOM 0 HG21 THR A 29 3.460 -9.305 -2.050 1.00 0.00 H new ATOM 0 HG22 THR A 29 2.921 -8.996 -0.382 1.00 0.00 H new ATOM 0 HG23 THR A 29 2.877 -7.688 -1.588 1.00 0.00 H new ATOM 453 N SER A 30 3.096 -7.195 1.977 1.00 0.00 N ATOM 454 CA SER A 30 2.489 -7.614 3.233 1.00 0.00 C ATOM 455 C SER A 30 0.987 -7.856 3.081 1.00 0.00 C ATOM 456 O SER A 30 0.328 -7.245 2.236 1.00 0.00 O ATOM 457 CB SER A 30 2.731 -6.543 4.296 1.00 0.00 C ATOM 458 OG SER A 30 4.111 -6.236 4.405 1.00 0.00 O ATOM 0 H SER A 30 2.583 -6.463 1.485 1.00 0.00 H new ATOM 0 HA SER A 30 2.950 -8.554 3.534 1.00 0.00 H new ATOM 0 HB2 SER A 30 2.173 -5.641 4.042 1.00 0.00 H new ATOM 0 HB3 SER A 30 2.355 -6.890 5.259 1.00 0.00 H new ATOM 0 HG SER A 30 4.332 -5.501 3.795 1.00 0.00 H new ATOM 464 N GLY A 31 0.458 -8.758 3.899 1.00 0.00 N ATOM 465 CA GLY A 31 -0.971 -8.996 3.938 1.00 0.00 C ATOM 466 C GLY A 31 -1.479 -9.744 2.724 1.00 0.00 C ATOM 467 O GLY A 31 -0.786 -10.602 2.174 1.00 0.00 O ATOM 0 H GLY A 31 1.001 -9.334 4.542 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -1.215 -9.564 4.836 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -1.491 -8.041 4.013 1.00 0.00 H new ATOM 471 N VAL A 32 -2.689 -9.409 2.299 1.00 0.00 N ATOM 472 CA VAL A 32 -3.304 -10.046 1.141 1.00 0.00 C ATOM 473 C VAL A 32 -2.558 -9.678 -0.141 1.00 0.00 C ATOM 474 O VAL A 32 -2.652 -10.371 -1.150 1.00 0.00 O ATOM 475 CB VAL A 32 -4.792 -9.655 1.009 1.00 0.00 C ATOM 476 CG1 VAL A 32 -5.463 -10.442 -0.105 1.00 0.00 C ATOM 477 CG2 VAL A 32 -5.517 -9.877 2.326 1.00 0.00 C ATOM 0 H VAL A 32 -3.268 -8.695 2.741 1.00 0.00 H new ATOM 0 HA VAL A 32 -3.242 -11.124 1.291 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.844 -8.596 0.756 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.510 -10.149 -0.178 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.961 -10.235 -1.050 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.399 -11.508 0.113 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.565 -9.597 2.216 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.450 -10.928 2.605 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.057 -9.265 3.102 1.00 0.00 H new ATOM 487 N ALA A 33 -1.778 -8.603 -0.079 1.00 0.00 N ATOM 488 CA ALA A 33 -1.003 -8.148 -1.228 1.00 0.00 C ATOM 489 C ALA A 33 0.026 -9.197 -1.645 1.00 0.00 C ATOM 490 O ALA A 33 0.577 -9.140 -2.740 1.00 0.00 O ATOM 491 CB ALA A 33 -0.315 -6.828 -0.914 1.00 0.00 C ATOM 0 H ALA A 33 -1.666 -8.030 0.757 1.00 0.00 H new ATOM 0 HA ALA A 33 -1.690 -7.997 -2.061 1.00 0.00 H new ATOM 0 HB1 ALA A 33 0.259 -6.502 -1.781 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -1.065 -6.075 -0.671 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.355 -6.960 -0.064 1.00 0.00 H new ATOM 497 N LYS A 34 0.274 -10.156 -0.758 1.00 0.00 N ATOM 498 CA LYS A 34 1.231 -11.217 -1.022 1.00 0.00 C ATOM 499 C LYS A 34 0.655 -12.245 -1.994 1.00 0.00 C ATOM 500 O LYS A 34 1.398 -12.907 -2.720 1.00 0.00 O ATOM 501 CB LYS A 34 1.629 -11.890 0.290 1.00 0.00 C ATOM 502 CG LYS A 34 2.241 -10.936 1.302 1.00 0.00 C ATOM 503 CD LYS A 34 2.579 -11.654 2.595 1.00 0.00 C ATOM 504 CE LYS A 34 3.836 -12.497 2.466 1.00 0.00 C ATOM 505 NZ LYS A 34 5.074 -11.670 2.445 1.00 0.00 N ATOM 0 H LYS A 34 -0.179 -10.217 0.154 1.00 0.00 H new ATOM 0 HA LYS A 34 2.116 -10.779 -1.484 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.748 -12.358 0.730 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.341 -12.688 0.078 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.143 -10.488 0.885 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.545 -10.122 1.506 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.713 -10.922 3.392 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.743 -12.291 2.885 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.886 -13.200 3.298 1.00 0.00 H new ATOM 0 HE3 LYS A 34 3.782 -13.088 1.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 5.689 -11.986 1.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 4.822 -10.671 2.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 5.577 -11.775 3.349 1.00 0.00 H new ATOM 519 N VAL A 35 -0.669 -12.375 -2.008 1.00 0.00 N ATOM 520 CA VAL A 35 -1.327 -13.318 -2.905 1.00 0.00 C ATOM 521 C VAL A 35 -1.937 -12.596 -4.104 1.00 0.00 C ATOM 522 O VAL A 35 -2.146 -13.195 -5.162 1.00 0.00 O ATOM 523 CB VAL A 35 -2.410 -14.155 -2.184 1.00 0.00 C ATOM 524 CG1 VAL A 35 -1.798 -14.956 -1.046 1.00 0.00 C ATOM 525 CG2 VAL A 35 -3.545 -13.281 -1.671 1.00 0.00 C ATOM 0 H VAL A 35 -1.303 -11.843 -1.412 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.557 -14.005 -3.256 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.830 -14.848 -2.913 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.576 -15.538 -0.551 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.038 -15.629 -1.443 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.341 -14.276 -0.327 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.286 -13.904 -1.171 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.151 -12.549 -0.966 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -4.012 -12.763 -2.508 1.00 0.00 H new ATOM 535 N ILE A 36 -2.218 -11.309 -3.933 1.00 0.00 N ATOM 536 CA ILE A 36 -2.691 -10.470 -5.026 1.00 0.00 C ATOM 537 C ILE A 36 -1.566 -10.253 -6.035 1.00 0.00 C ATOM 538 O ILE A 36 -0.395 -10.178 -5.657 1.00 0.00 O ATOM 539 CB ILE A 36 -3.197 -9.108 -4.489 1.00 0.00 C ATOM 540 CG1 ILE A 36 -4.438 -9.317 -3.619 1.00 0.00 C ATOM 541 CG2 ILE A 36 -3.498 -8.140 -5.626 1.00 0.00 C ATOM 542 CD1 ILE A 36 -4.901 -8.062 -2.913 1.00 0.00 C ATOM 0 H ILE A 36 -2.125 -10.822 -3.041 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.522 -10.974 -5.519 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.407 -8.667 -3.881 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.249 -9.693 -4.242 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.225 -10.085 -2.875 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.851 -7.194 -5.215 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.592 -7.968 -6.207 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.267 -8.565 -6.271 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -5.784 -8.286 -2.315 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.106 -7.696 -2.263 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.146 -7.299 -3.651 1.00 0.00 H new ATOM 554 N GLU A 37 -1.908 -10.194 -7.315 1.00 0.00 N ATOM 555 CA GLU A 37 -0.904 -9.982 -8.346 1.00 0.00 C ATOM 556 C GLU A 37 -0.385 -8.549 -8.300 1.00 0.00 C ATOM 557 O GLU A 37 -1.144 -7.606 -8.060 1.00 0.00 O ATOM 558 CB GLU A 37 -1.456 -10.316 -9.733 1.00 0.00 C ATOM 559 CG GLU A 37 -2.650 -9.482 -10.154 1.00 0.00 C ATOM 560 CD GLU A 37 -3.080 -9.789 -11.570 1.00 0.00 C ATOM 561 OE1 GLU A 37 -2.450 -9.265 -12.510 1.00 0.00 O ATOM 562 OE2 GLU A 37 -4.031 -10.577 -11.749 1.00 0.00 O ATOM 0 H GLU A 37 -2.863 -10.289 -7.661 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.071 -10.657 -8.149 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.661 -10.185 -10.467 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.739 -11.368 -9.753 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -3.481 -9.668 -9.474 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.401 -8.424 -10.071 1.00 0.00 H new ATOM 569 N LYS A 38 0.910 -8.396 -8.541 1.00 0.00 N ATOM 570 CA LYS A 38 1.579 -7.108 -8.398 1.00 0.00 C ATOM 571 C LYS A 38 1.036 -6.085 -9.384 1.00 0.00 C ATOM 572 O LYS A 38 0.969 -4.900 -9.068 1.00 0.00 O ATOM 573 CB LYS A 38 3.091 -7.270 -8.571 1.00 0.00 C ATOM 574 CG LYS A 38 3.830 -7.661 -7.294 1.00 0.00 C ATOM 575 CD LYS A 38 3.175 -8.837 -6.583 1.00 0.00 C ATOM 576 CE LYS A 38 4.060 -9.392 -5.478 1.00 0.00 C ATOM 577 NZ LYS A 38 5.245 -10.102 -6.029 1.00 0.00 N ATOM 0 H LYS A 38 1.523 -9.154 -8.839 1.00 0.00 H new ATOM 0 HA LYS A 38 1.378 -6.738 -7.393 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.279 -8.027 -9.332 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.505 -6.333 -8.944 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.861 -7.916 -7.538 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.864 -6.805 -6.620 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.221 -8.521 -6.161 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.959 -9.624 -7.305 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.391 -8.578 -4.833 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.482 -10.076 -4.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.693 -10.664 -5.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.945 -10.732 -6.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.927 -9.407 -6.395 1.00 0.00 H new ATOM 591 N SER A 39 0.665 -6.548 -10.579 1.00 0.00 N ATOM 592 CA SER A 39 -0.015 -5.706 -11.562 1.00 0.00 C ATOM 593 C SER A 39 0.860 -4.518 -12.006 1.00 0.00 C ATOM 594 O SER A 39 1.988 -4.355 -11.537 1.00 0.00 O ATOM 595 CB SER A 39 -1.332 -5.205 -10.955 1.00 0.00 C ATOM 596 OG SER A 39 -2.139 -6.288 -10.523 1.00 0.00 O ATOM 0 H SER A 39 0.825 -7.506 -10.889 1.00 0.00 H new ATOM 0 HA SER A 39 -0.214 -6.302 -12.453 1.00 0.00 H new ATOM 0 HB2 SER A 39 -1.121 -4.546 -10.113 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.875 -4.615 -11.693 1.00 0.00 H new ATOM 0 HG SER A 39 -3.014 -5.951 -10.240 1.00 0.00 H new ATOM 602 N PRO A 40 0.371 -3.687 -12.950 1.00 0.00 N ATOM 603 CA PRO A 40 1.029 -2.425 -13.305 1.00 0.00 C ATOM 604 C PRO A 40 0.737 -1.320 -12.285 1.00 0.00 C ATOM 605 O PRO A 40 0.559 -0.156 -12.647 1.00 0.00 O ATOM 606 CB PRO A 40 0.402 -2.078 -14.656 1.00 0.00 C ATOM 607 CG PRO A 40 -0.958 -2.679 -14.603 1.00 0.00 C ATOM 608 CD PRO A 40 -0.825 -3.934 -13.786 1.00 0.00 C ATOM 0 HA PRO A 40 2.115 -2.516 -13.330 1.00 0.00 H new ATOM 0 HB2 PRO A 40 0.353 -0.999 -14.805 1.00 0.00 H new ATOM 0 HB3 PRO A 40 0.985 -2.488 -15.481 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.671 -1.991 -14.148 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -1.325 -2.903 -15.605 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -1.711 -4.109 -13.175 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -0.696 -4.812 -14.419 1.00 0.00 H new ATOM 616 N ILE A 41 0.720 -1.689 -11.007 1.00 0.00 N ATOM 617 CA ILE A 41 0.363 -0.759 -9.942 1.00 0.00 C ATOM 618 C ILE A 41 1.335 0.414 -9.874 1.00 0.00 C ATOM 619 O ILE A 41 0.924 1.542 -9.625 1.00 0.00 O ATOM 620 CB ILE A 41 0.296 -1.462 -8.567 1.00 0.00 C ATOM 621 CG1 ILE A 41 -0.832 -2.495 -8.561 1.00 0.00 C ATOM 622 CG2 ILE A 41 0.093 -0.451 -7.445 1.00 0.00 C ATOM 623 CD1 ILE A 41 -1.001 -3.208 -7.235 1.00 0.00 C ATOM 0 H ILE A 41 0.950 -2.629 -10.684 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.629 -0.377 -10.183 1.00 0.00 H new ATOM 0 HB ILE A 41 1.245 -1.970 -8.396 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.768 -1.999 -8.818 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.639 -3.234 -9.338 1.00 0.00 H new ATOM 0 HG21 ILE A 41 0.049 -0.972 -6.489 1.00 0.00 H new ATOM 0 HG22 ILE A 41 0.924 0.254 -7.436 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.840 0.089 -7.606 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.819 -3.924 -7.309 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.080 -3.734 -6.985 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.226 -2.479 -6.456 1.00 0.00 H new ATOM 635 N ALA A 42 2.613 0.150 -10.128 1.00 0.00 N ATOM 636 CA ALA A 42 3.633 1.197 -10.074 1.00 0.00 C ATOM 637 C ALA A 42 3.295 2.334 -11.034 1.00 0.00 C ATOM 638 O ALA A 42 3.525 3.509 -10.736 1.00 0.00 O ATOM 639 CB ALA A 42 5.005 0.622 -10.393 1.00 0.00 C ATOM 0 H ALA A 42 2.968 -0.775 -10.372 1.00 0.00 H new ATOM 0 HA ALA A 42 3.653 1.600 -9.061 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.751 1.415 -10.348 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.253 -0.151 -9.666 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.995 0.190 -11.394 1.00 0.00 H new ATOM 645 N GLU A 43 2.726 1.970 -12.177 1.00 0.00 N ATOM 646 CA GLU A 43 2.291 2.938 -13.170 1.00 0.00 C ATOM 647 C GLU A 43 1.154 3.790 -12.615 1.00 0.00 C ATOM 648 O GLU A 43 1.083 4.996 -12.845 1.00 0.00 O ATOM 649 CB GLU A 43 1.824 2.212 -14.434 1.00 0.00 C ATOM 650 CG GLU A 43 1.410 3.145 -15.558 1.00 0.00 C ATOM 651 CD GLU A 43 2.592 3.799 -16.239 1.00 0.00 C ATOM 652 OE1 GLU A 43 3.437 4.402 -15.544 1.00 0.00 O ATOM 653 OE2 GLU A 43 2.685 3.701 -17.479 1.00 0.00 O ATOM 0 H GLU A 43 2.555 0.999 -12.439 1.00 0.00 H new ATOM 0 HA GLU A 43 3.130 3.588 -13.417 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.627 1.565 -14.788 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.983 1.567 -14.181 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.835 2.586 -16.296 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.752 3.918 -15.160 1.00 0.00 H new ATOM 660 N ILE A 44 0.268 3.161 -11.866 1.00 0.00 N ATOM 661 CA ILE A 44 -0.876 3.861 -11.310 1.00 0.00 C ATOM 662 C ILE A 44 -0.458 4.669 -10.080 1.00 0.00 C ATOM 663 O ILE A 44 -1.064 5.694 -9.765 1.00 0.00 O ATOM 664 CB ILE A 44 -2.019 2.887 -10.940 1.00 0.00 C ATOM 665 CG1 ILE A 44 -2.225 1.845 -12.047 1.00 0.00 C ATOM 666 CG2 ILE A 44 -3.311 3.660 -10.706 1.00 0.00 C ATOM 667 CD1 ILE A 44 -2.620 2.434 -13.387 1.00 0.00 C ATOM 0 H ILE A 44 0.317 2.170 -11.629 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.250 4.539 -12.077 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.743 2.367 -10.023 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.304 1.275 -12.170 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -2.995 1.142 -11.730 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.109 2.965 -10.446 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -3.168 4.369 -9.891 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.581 4.200 -11.613 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -2.746 1.632 -14.114 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -3.558 2.980 -13.282 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -1.841 3.115 -13.729 1.00 0.00 H new ATOM 679 N ILE A 45 0.591 4.213 -9.396 1.00 0.00 N ATOM 680 CA ILE A 45 1.105 4.914 -8.223 1.00 0.00 C ATOM 681 C ILE A 45 1.611 6.299 -8.607 1.00 0.00 C ATOM 682 O ILE A 45 1.276 7.289 -7.951 1.00 0.00 O ATOM 683 CB ILE A 45 2.241 4.135 -7.515 1.00 0.00 C ATOM 684 CG1 ILE A 45 1.719 2.808 -6.973 1.00 0.00 C ATOM 685 CG2 ILE A 45 2.828 4.965 -6.384 1.00 0.00 C ATOM 686 CD1 ILE A 45 2.791 1.961 -6.326 1.00 0.00 C ATOM 0 H ILE A 45 1.100 3.362 -9.635 1.00 0.00 H new ATOM 0 HA ILE A 45 0.272 5.001 -7.525 1.00 0.00 H new ATOM 0 HB ILE A 45 3.025 3.932 -8.245 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.933 3.006 -6.244 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.264 2.245 -7.788 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.625 4.404 -5.896 1.00 0.00 H new ATOM 0 HG22 ILE A 45 3.232 5.894 -6.786 1.00 0.00 H new ATOM 0 HG23 ILE A 45 2.048 5.193 -5.657 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.351 1.032 -5.963 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.566 1.733 -7.058 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.230 2.506 -5.490 1.00 0.00 H new ATOM 698 N ARG A 46 2.407 6.367 -9.670 1.00 0.00 N ATOM 699 CA ARG A 46 2.907 7.641 -10.159 1.00 0.00 C ATOM 700 C ARG A 46 1.756 8.522 -10.638 1.00 0.00 C ATOM 701 O ARG A 46 1.742 9.729 -10.387 1.00 0.00 O ATOM 702 CB ARG A 46 3.933 7.435 -11.278 1.00 0.00 C ATOM 703 CG ARG A 46 3.495 6.468 -12.351 1.00 0.00 C ATOM 704 CD ARG A 46 4.568 6.286 -13.404 1.00 0.00 C ATOM 705 NE ARG A 46 5.801 5.715 -12.862 1.00 0.00 N ATOM 706 CZ ARG A 46 6.343 4.576 -13.294 1.00 0.00 C ATOM 707 NH1 ARG A 46 5.716 3.841 -14.207 1.00 0.00 N ATOM 708 NH2 ARG A 46 7.509 4.165 -12.808 1.00 0.00 N ATOM 0 H ARG A 46 2.717 5.556 -10.205 1.00 0.00 H new ATOM 0 HA ARG A 46 3.407 8.147 -9.333 1.00 0.00 H new ATOM 0 HB2 ARG A 46 4.148 8.399 -11.740 1.00 0.00 H new ATOM 0 HB3 ARG A 46 4.864 7.076 -10.840 1.00 0.00 H new ATOM 0 HG2 ARG A 46 3.259 5.504 -11.900 1.00 0.00 H new ATOM 0 HG3 ARG A 46 2.581 6.833 -12.820 1.00 0.00 H new ATOM 0 HD2 ARG A 46 4.189 5.638 -14.194 1.00 0.00 H new ATOM 0 HD3 ARG A 46 4.790 7.250 -13.861 1.00 0.00 H new ATOM 0 HE ARG A 46 6.273 6.217 -12.110 1.00 0.00 H new ATOM 0 HH11 ARG A 46 4.817 4.148 -14.579 1.00 0.00 H new ATOM 0 HH12 ARG A 46 6.134 2.970 -14.535 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.992 4.721 -12.102 1.00 0.00 H new ATOM 0 HH22 ARG A 46 7.921 3.293 -13.140 1.00 0.00 H new ATOM 722 N LYS A 47 0.779 7.915 -11.306 1.00 0.00 N ATOM 723 CA LYS A 47 -0.405 8.650 -11.734 1.00 0.00 C ATOM 724 C LYS A 47 -1.122 9.241 -10.528 1.00 0.00 C ATOM 725 O LYS A 47 -1.426 10.433 -10.493 1.00 0.00 O ATOM 726 CB LYS A 47 -1.363 7.746 -12.512 1.00 0.00 C ATOM 727 CG LYS A 47 -0.792 7.217 -13.814 1.00 0.00 C ATOM 728 CD LYS A 47 -1.848 6.473 -14.610 1.00 0.00 C ATOM 729 CE LYS A 47 -1.281 5.898 -15.897 1.00 0.00 C ATOM 730 NZ LYS A 47 -2.354 5.393 -16.795 1.00 0.00 N ATOM 0 H LYS A 47 0.783 6.927 -11.560 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.080 9.456 -12.392 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.643 6.903 -11.881 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.276 8.301 -12.727 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.401 8.044 -14.406 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.046 6.552 -13.604 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.261 5.668 -14.003 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.670 7.149 -14.845 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.704 6.664 -16.415 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.593 5.087 -15.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.928 5.009 -17.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.888 4.644 -16.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.996 6.173 -17.041 1.00 0.00 H new ATOM 744 N SER A 48 -1.351 8.406 -9.522 1.00 0.00 N ATOM 745 CA SER A 48 -2.057 8.820 -8.324 1.00 0.00 C ATOM 746 C SER A 48 -1.238 9.833 -7.536 1.00 0.00 C ATOM 747 O SER A 48 -1.784 10.638 -6.793 1.00 0.00 O ATOM 748 CB SER A 48 -2.359 7.606 -7.452 1.00 0.00 C ATOM 749 OG SER A 48 -3.048 6.610 -8.184 1.00 0.00 O ATOM 0 H SER A 48 -1.054 7.430 -9.516 1.00 0.00 H new ATOM 0 HA SER A 48 -2.993 9.291 -8.623 1.00 0.00 H new ATOM 0 HB2 SER A 48 -1.428 7.195 -7.061 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.958 7.911 -6.594 1.00 0.00 H new ATOM 0 HG SER A 48 -2.401 6.028 -8.634 1.00 0.00 H new ATOM 755 N ASN A 49 0.077 9.782 -7.695 1.00 0.00 N ATOM 756 CA ASN A 49 0.961 10.731 -7.032 1.00 0.00 C ATOM 757 C ASN A 49 0.706 12.140 -7.550 1.00 0.00 C ATOM 758 O ASN A 49 0.753 13.107 -6.796 1.00 0.00 O ATOM 759 CB ASN A 49 2.427 10.337 -7.245 1.00 0.00 C ATOM 760 CG ASN A 49 3.402 11.380 -6.726 1.00 0.00 C ATOM 761 OD1 ASN A 49 3.704 11.424 -5.534 1.00 0.00 O ATOM 762 ND2 ASN A 49 3.935 12.194 -7.624 1.00 0.00 N ATOM 0 H ASN A 49 0.555 9.094 -8.277 1.00 0.00 H new ATOM 0 HA ASN A 49 0.753 10.712 -5.962 1.00 0.00 H new ATOM 0 HB2 ASN A 49 2.619 9.387 -6.745 1.00 0.00 H new ATOM 0 HB3 ASN A 49 2.604 10.179 -8.309 1.00 0.00 H new ATOM 0 HD21 ASN A 49 4.623 12.890 -7.337 1.00 0.00 H new ATOM 0 HD22 ASN A 49 3.658 12.125 -8.603 1.00 0.00 H new ATOM 769 N ALA A 50 0.420 12.239 -8.838 1.00 0.00 N ATOM 770 CA ALA A 50 0.105 13.524 -9.453 1.00 0.00 C ATOM 771 C ALA A 50 -1.372 13.874 -9.272 1.00 0.00 C ATOM 772 O ALA A 50 -1.776 15.021 -9.468 1.00 0.00 O ATOM 773 CB ALA A 50 0.469 13.502 -10.929 1.00 0.00 C ATOM 0 H ALA A 50 0.399 11.447 -9.480 1.00 0.00 H new ATOM 0 HA ALA A 50 0.695 14.294 -8.955 1.00 0.00 H new ATOM 0 HB1 ALA A 50 0.229 14.466 -11.377 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.536 13.306 -11.038 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.097 12.718 -11.432 1.00 0.00 H new ATOM 779 N GLU A 51 -2.177 12.881 -8.910 1.00 0.00 N ATOM 780 CA GLU A 51 -3.608 13.092 -8.713 1.00 0.00 C ATOM 781 C GLU A 51 -3.916 13.626 -7.316 1.00 0.00 C ATOM 782 O GLU A 51 -4.755 14.512 -7.155 1.00 0.00 O ATOM 783 CB GLU A 51 -4.386 11.791 -8.937 1.00 0.00 C ATOM 784 CG GLU A 51 -4.351 11.289 -10.372 1.00 0.00 C ATOM 785 CD GLU A 51 -4.935 12.283 -11.354 1.00 0.00 C ATOM 786 OE1 GLU A 51 -6.154 12.239 -11.597 1.00 0.00 O ATOM 787 OE2 GLU A 51 -4.179 13.120 -11.887 1.00 0.00 O ATOM 0 H GLU A 51 -1.865 11.924 -8.747 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.921 13.836 -9.445 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.980 11.019 -8.283 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.424 11.945 -8.642 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -3.320 11.072 -10.651 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -4.904 10.352 -10.438 1.00 0.00 H new ATOM 794 N LEU A 52 -3.237 13.089 -6.309 1.00 0.00 N ATOM 795 CA LEU A 52 -3.569 13.403 -4.927 1.00 0.00 C ATOM 796 C LEU A 52 -2.345 13.780 -4.106 1.00 0.00 C ATOM 797 O LEU A 52 -1.234 13.858 -4.623 1.00 0.00 O ATOM 798 CB LEU A 52 -4.293 12.214 -4.282 1.00 0.00 C ATOM 799 CG LEU A 52 -3.628 10.841 -4.444 1.00 0.00 C ATOM 800 CD1 LEU A 52 -2.337 10.735 -3.646 1.00 0.00 C ATOM 801 CD2 LEU A 52 -4.587 9.753 -4.025 1.00 0.00 C ATOM 0 H LEU A 52 -2.459 12.439 -6.423 1.00 0.00 H new ATOM 0 HA LEU A 52 -4.226 14.273 -4.939 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.402 12.417 -3.217 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -5.298 12.158 -4.700 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.373 10.720 -5.497 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.900 9.747 -3.790 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.635 11.495 -3.988 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.550 10.887 -2.588 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.108 8.781 -4.143 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.866 9.896 -2.981 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.480 9.795 -4.648 1.00 0.00 H new ATOM 813 N GLY A 53 -2.570 14.002 -2.817 1.00 0.00 N ATOM 814 CA GLY A 53 -1.486 14.298 -1.908 1.00 0.00 C ATOM 815 C GLY A 53 -1.402 13.292 -0.774 1.00 0.00 C ATOM 816 O GLY A 53 -0.536 12.419 -0.771 1.00 0.00 O ATOM 0 H GLY A 53 -3.494 13.981 -2.385 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.544 14.304 -2.457 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -1.622 15.298 -1.496 1.00 0.00 H new ATOM 820 N ARG A 54 -2.320 13.394 0.182 1.00 0.00 N ATOM 821 CA ARG A 54 -2.284 12.538 1.364 1.00 0.00 C ATOM 822 C ARG A 54 -3.441 11.541 1.363 1.00 0.00 C ATOM 823 O ARG A 54 -3.595 10.749 2.294 1.00 0.00 O ATOM 824 CB ARG A 54 -2.339 13.396 2.631 1.00 0.00 C ATOM 825 CG ARG A 54 -1.689 12.746 3.840 1.00 0.00 C ATOM 826 CD ARG A 54 -0.249 12.378 3.534 1.00 0.00 C ATOM 827 NE ARG A 54 0.533 12.104 4.734 1.00 0.00 N ATOM 828 CZ ARG A 54 1.858 12.204 4.778 1.00 0.00 C ATOM 829 NH1 ARG A 54 2.540 12.492 3.676 1.00 0.00 N ATOM 830 NH2 ARG A 54 2.508 11.994 5.913 1.00 0.00 N ATOM 0 H ARG A 54 -3.095 14.057 0.163 1.00 0.00 H new ATOM 0 HA ARG A 54 -1.351 11.975 1.344 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -1.848 14.349 2.435 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -3.381 13.616 2.865 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.724 13.428 4.690 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.246 11.853 4.124 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.233 11.501 2.888 1.00 0.00 H new ATOM 0 HD3 ARG A 54 0.219 13.191 2.979 1.00 0.00 H new ATOM 0 HE ARG A 54 0.039 11.822 5.581 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.047 12.637 2.795 1.00 0.00 H new ATOM 0 HH12 ARG A 54 3.557 12.569 3.711 1.00 0.00 H new ATOM 0 HH21 ARG A 54 1.992 11.754 6.759 1.00 0.00 H new ATOM 0 HH22 ARG A 54 3.525 12.072 5.940 1.00 0.00 H new ATOM 844 N LEU A 55 -4.248 11.579 0.315 1.00 0.00 N ATOM 845 CA LEU A 55 -5.401 10.694 0.209 1.00 0.00 C ATOM 846 C LEU A 55 -5.008 9.400 -0.490 1.00 0.00 C ATOM 847 O LEU A 55 -3.878 9.260 -0.963 1.00 0.00 O ATOM 848 CB LEU A 55 -6.556 11.368 -0.549 1.00 0.00 C ATOM 849 CG LEU A 55 -7.272 12.516 0.180 1.00 0.00 C ATOM 850 CD1 LEU A 55 -7.710 12.082 1.570 1.00 0.00 C ATOM 851 CD2 LEU A 55 -6.392 13.759 0.253 1.00 0.00 C ATOM 0 H LEU A 55 -4.128 12.212 -0.475 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.743 10.469 1.219 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.168 11.751 -1.493 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -7.295 10.605 -0.795 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.162 12.772 -0.395 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -8.214 12.910 2.068 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -8.394 11.237 1.489 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.836 11.787 2.151 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.927 14.553 0.774 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.475 13.524 0.793 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.145 14.090 -0.756 1.00 0.00 H new ATOM 863 N GLY A 56 -5.939 8.461 -0.547 1.00 0.00 N ATOM 864 CA GLY A 56 -5.683 7.206 -1.217 1.00 0.00 C ATOM 865 C GLY A 56 -6.497 7.054 -2.483 1.00 0.00 C ATOM 866 O GLY A 56 -7.717 7.213 -2.469 1.00 0.00 O ATOM 0 H GLY A 56 -6.870 8.547 -0.140 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -4.623 7.136 -1.459 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -5.911 6.382 -0.540 1.00 0.00 H new ATOM 870 N TYR A 57 -5.817 6.751 -3.577 1.00 0.00 N ATOM 871 CA TYR A 57 -6.469 6.559 -4.866 1.00 0.00 C ATOM 872 C TYR A 57 -6.574 5.074 -5.153 1.00 0.00 C ATOM 873 O TYR A 57 -5.601 4.342 -4.969 1.00 0.00 O ATOM 874 CB TYR A 57 -5.655 7.244 -5.968 1.00 0.00 C ATOM 875 CG TYR A 57 -6.393 7.453 -7.273 1.00 0.00 C ATOM 876 CD1 TYR A 57 -7.163 8.590 -7.477 1.00 0.00 C ATOM 877 CD2 TYR A 57 -6.300 6.529 -8.306 1.00 0.00 C ATOM 878 CE1 TYR A 57 -7.822 8.801 -8.671 1.00 0.00 C ATOM 879 CE2 TYR A 57 -6.958 6.730 -9.505 1.00 0.00 C ATOM 880 CZ TYR A 57 -7.717 7.869 -9.683 1.00 0.00 C ATOM 881 OH TYR A 57 -8.371 8.081 -10.877 1.00 0.00 O ATOM 0 H TYR A 57 -4.804 6.631 -3.599 1.00 0.00 H new ATOM 0 HA TYR A 57 -7.466 6.998 -4.839 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -5.317 8.213 -5.600 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -4.763 6.648 -6.164 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -7.248 9.322 -6.688 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -5.704 5.639 -8.170 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -8.417 9.691 -8.813 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -6.879 6.000 -10.297 1.00 0.00 H new ATOM 0 HH TYR A 57 -8.194 7.332 -11.484 1.00 0.00 H new ATOM 891 N SER A 58 -7.742 4.624 -5.580 1.00 0.00 N ATOM 892 CA SER A 58 -7.916 3.227 -5.925 1.00 0.00 C ATOM 893 C SER A 58 -7.115 2.897 -7.180 1.00 0.00 C ATOM 894 O SER A 58 -7.456 3.324 -8.286 1.00 0.00 O ATOM 895 CB SER A 58 -9.403 2.924 -6.120 1.00 0.00 C ATOM 896 OG SER A 58 -10.041 3.965 -6.844 1.00 0.00 O ATOM 0 H SER A 58 -8.575 5.201 -5.695 1.00 0.00 H new ATOM 0 HA SER A 58 -7.544 2.601 -5.114 1.00 0.00 H new ATOM 0 HB2 SER A 58 -9.519 1.981 -6.653 1.00 0.00 H new ATOM 0 HB3 SER A 58 -9.884 2.803 -5.149 1.00 0.00 H new ATOM 0 HG SER A 58 -9.483 4.222 -7.607 1.00 0.00 H new ATOM 902 N VAL A 59 -6.043 2.142 -6.992 1.00 0.00 N ATOM 903 CA VAL A 59 -5.148 1.799 -8.084 1.00 0.00 C ATOM 904 C VAL A 59 -5.428 0.395 -8.600 1.00 0.00 C ATOM 905 O VAL A 59 -5.249 0.108 -9.783 1.00 0.00 O ATOM 906 CB VAL A 59 -3.667 1.909 -7.657 1.00 0.00 C ATOM 907 CG1 VAL A 59 -3.339 3.334 -7.255 1.00 0.00 C ATOM 908 CG2 VAL A 59 -3.347 0.952 -6.518 1.00 0.00 C ATOM 0 H VAL A 59 -5.772 1.754 -6.088 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.332 2.515 -8.885 1.00 0.00 H new ATOM 0 HB VAL A 59 -3.050 1.631 -8.512 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.292 3.396 -6.957 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -3.516 4.000 -8.099 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.973 3.631 -6.419 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -2.298 1.054 -6.241 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -3.974 1.188 -5.658 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -3.540 -0.072 -6.838 1.00 0.00 H new ATOM 918 N TYR A 60 -5.870 -0.477 -7.708 1.00 0.00 N ATOM 919 CA TYR A 60 -6.190 -1.842 -8.079 1.00 0.00 C ATOM 920 C TYR A 60 -7.520 -2.248 -7.468 1.00 0.00 C ATOM 921 O TYR A 60 -7.615 -2.475 -6.266 1.00 0.00 O ATOM 922 CB TYR A 60 -5.077 -2.791 -7.622 1.00 0.00 C ATOM 923 CG TYR A 60 -5.328 -4.244 -7.964 1.00 0.00 C ATOM 924 CD1 TYR A 60 -5.042 -4.742 -9.230 1.00 0.00 C ATOM 925 CD2 TYR A 60 -5.853 -5.118 -7.020 1.00 0.00 C ATOM 926 CE1 TYR A 60 -5.273 -6.067 -9.543 1.00 0.00 C ATOM 927 CE2 TYR A 60 -6.088 -6.442 -7.328 1.00 0.00 C ATOM 928 CZ TYR A 60 -5.796 -6.913 -8.589 1.00 0.00 C ATOM 929 OH TYR A 60 -6.033 -8.233 -8.900 1.00 0.00 O ATOM 0 H TYR A 60 -6.015 -0.262 -6.722 1.00 0.00 H new ATOM 0 HA TYR A 60 -6.271 -1.904 -9.164 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -4.137 -2.478 -8.077 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -4.955 -2.698 -6.543 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -4.633 -4.082 -9.981 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -6.081 -4.755 -6.029 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -5.045 -6.439 -10.531 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -6.499 -7.107 -6.583 1.00 0.00 H new ATOM 0 HH TYR A 60 -6.978 -8.441 -8.747 1.00 0.00 H new ATOM 939 N GLU A 61 -8.548 -2.313 -8.291 1.00 0.00 N ATOM 940 CA GLU A 61 -9.860 -2.723 -7.826 1.00 0.00 C ATOM 941 C GLU A 61 -10.147 -4.137 -8.298 1.00 0.00 C ATOM 942 O GLU A 61 -10.292 -4.395 -9.494 1.00 0.00 O ATOM 943 CB GLU A 61 -10.935 -1.755 -8.322 1.00 0.00 C ATOM 944 CG GLU A 61 -12.330 -2.048 -7.790 1.00 0.00 C ATOM 945 CD GLU A 61 -13.341 -1.007 -8.221 1.00 0.00 C ATOM 946 OE1 GLU A 61 -13.370 0.088 -7.616 1.00 0.00 O ATOM 947 OE2 GLU A 61 -14.108 -1.273 -9.176 1.00 0.00 O ATOM 0 H GLU A 61 -8.501 -2.087 -9.285 1.00 0.00 H new ATOM 0 HA GLU A 61 -9.874 -2.705 -6.736 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -10.655 -0.741 -8.037 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.960 -1.784 -9.411 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.651 -3.029 -8.140 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.299 -2.092 -6.701 1.00 0.00 H new ATOM 954 N ASP A 62 -10.202 -5.054 -7.354 1.00 0.00 N ATOM 955 CA ASP A 62 -10.439 -6.448 -7.657 1.00 0.00 C ATOM 956 C ASP A 62 -11.819 -6.818 -7.152 1.00 0.00 C ATOM 957 O ASP A 62 -12.428 -6.051 -6.407 1.00 0.00 O ATOM 958 CB ASP A 62 -9.370 -7.321 -6.988 1.00 0.00 C ATOM 959 CG ASP A 62 -9.335 -8.735 -7.528 1.00 0.00 C ATOM 960 OD1 ASP A 62 -8.668 -8.960 -8.563 1.00 0.00 O ATOM 961 OD2 ASP A 62 -9.968 -9.625 -6.923 1.00 0.00 O ATOM 0 H ASP A 62 -10.084 -4.854 -6.361 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.384 -6.614 -8.733 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.392 -6.860 -7.129 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.555 -7.353 -5.914 1.00 0.00 H new ATOM 966 N ALA A 63 -12.315 -7.978 -7.542 1.00 0.00 N ATOM 967 CA ALA A 63 -13.618 -8.420 -7.080 1.00 0.00 C ATOM 968 C ALA A 63 -13.552 -8.795 -5.605 1.00 0.00 C ATOM 969 O ALA A 63 -14.576 -8.972 -4.947 1.00 0.00 O ATOM 970 CB ALA A 63 -14.113 -9.590 -7.914 1.00 0.00 C ATOM 0 H ALA A 63 -11.841 -8.626 -8.171 1.00 0.00 H new ATOM 0 HA ALA A 63 -14.327 -7.600 -7.197 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -15.091 -9.907 -7.552 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -14.194 -9.285 -8.957 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -13.410 -10.419 -7.832 1.00 0.00 H new ATOM 976 N GLN A 64 -12.335 -8.907 -5.094 1.00 0.00 N ATOM 977 CA GLN A 64 -12.116 -9.234 -3.696 1.00 0.00 C ATOM 978 C GLN A 64 -11.723 -7.992 -2.896 1.00 0.00 C ATOM 979 O GLN A 64 -12.432 -7.585 -1.978 1.00 0.00 O ATOM 980 CB GLN A 64 -11.022 -10.290 -3.580 1.00 0.00 C ATOM 981 CG GLN A 64 -11.251 -11.496 -4.469 1.00 0.00 C ATOM 982 CD GLN A 64 -10.068 -12.438 -4.473 1.00 0.00 C ATOM 983 OE1 GLN A 64 -10.008 -13.385 -3.688 1.00 0.00 O ATOM 984 NE2 GLN A 64 -9.112 -12.172 -5.348 1.00 0.00 N ATOM 0 H GLN A 64 -11.479 -8.775 -5.633 1.00 0.00 H new ATOM 0 HA GLN A 64 -13.047 -9.624 -3.285 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -10.063 -9.838 -3.834 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -10.955 -10.620 -2.543 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -12.138 -12.031 -4.130 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -11.450 -11.162 -5.487 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -9.205 -11.376 -5.979 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -8.282 -12.763 -5.392 1.00 0.00 H new ATOM 993 N TYR A 65 -10.594 -7.386 -3.259 1.00 0.00 N ATOM 994 CA TYR A 65 -10.034 -6.282 -2.483 1.00 0.00 C ATOM 995 C TYR A 65 -9.732 -5.081 -3.376 1.00 0.00 C ATOM 996 O TYR A 65 -9.720 -5.195 -4.599 1.00 0.00 O ATOM 997 CB TYR A 65 -8.749 -6.736 -1.779 1.00 0.00 C ATOM 998 CG TYR A 65 -8.914 -7.989 -0.948 1.00 0.00 C ATOM 999 CD1 TYR A 65 -9.366 -7.923 0.362 1.00 0.00 C ATOM 1000 CD2 TYR A 65 -8.621 -9.240 -1.478 1.00 0.00 C ATOM 1001 CE1 TYR A 65 -9.522 -9.066 1.122 1.00 0.00 C ATOM 1002 CE2 TYR A 65 -8.775 -10.388 -0.725 1.00 0.00 C ATOM 1003 CZ TYR A 65 -9.225 -10.295 0.574 1.00 0.00 C ATOM 1004 OH TYR A 65 -9.379 -11.437 1.327 1.00 0.00 O ATOM 0 H TYR A 65 -10.050 -7.640 -4.084 1.00 0.00 H new ATOM 0 HA TYR A 65 -10.772 -5.982 -1.739 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -7.977 -6.909 -2.529 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -8.394 -5.930 -1.136 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -9.600 -6.962 0.795 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -8.267 -9.316 -2.496 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -9.875 -8.997 2.140 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -8.544 -11.353 -1.152 1.00 0.00 H new ATOM 0 HH TYR A 65 -9.128 -12.218 0.791 1.00 0.00 H new ATOM 1014 N ILE A 66 -9.484 -3.931 -2.756 1.00 0.00 N ATOM 1015 CA ILE A 66 -9.167 -2.714 -3.491 1.00 0.00 C ATOM 1016 C ILE A 66 -7.909 -2.062 -2.927 1.00 0.00 C ATOM 1017 O ILE A 66 -7.818 -1.799 -1.727 1.00 0.00 O ATOM 1018 CB ILE A 66 -10.329 -1.695 -3.447 1.00 0.00 C ATOM 1019 CG1 ILE A 66 -11.587 -2.289 -4.089 1.00 0.00 C ATOM 1020 CG2 ILE A 66 -9.935 -0.404 -4.155 1.00 0.00 C ATOM 1021 CD1 ILE A 66 -12.794 -1.374 -4.023 1.00 0.00 C ATOM 0 H ILE A 66 -9.497 -3.818 -1.742 1.00 0.00 H new ATOM 0 HA ILE A 66 -9.001 -3.003 -4.529 1.00 0.00 H new ATOM 0 HB ILE A 66 -10.545 -1.466 -2.403 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -11.376 -2.523 -5.132 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -11.828 -3.230 -3.594 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -10.765 0.301 -4.114 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -9.065 0.030 -3.662 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -9.693 -0.619 -5.196 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -13.646 -1.861 -4.497 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -13.032 -1.160 -2.981 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -12.573 -0.442 -4.544 1.00 0.00 H new ATOM 1033 N GLY A 67 -6.946 -1.812 -3.798 1.00 0.00 N ATOM 1034 CA GLY A 67 -5.708 -1.184 -3.390 1.00 0.00 C ATOM 1035 C GLY A 67 -5.743 0.316 -3.580 1.00 0.00 C ATOM 1036 O GLY A 67 -6.310 0.812 -4.553 1.00 0.00 O ATOM 0 H GLY A 67 -7.001 -2.036 -4.792 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -5.514 -1.412 -2.342 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.882 -1.603 -3.965 1.00 0.00 H new ATOM 1040 N HIS A 68 -5.144 1.038 -2.649 1.00 0.00 N ATOM 1041 CA HIS A 68 -5.131 2.497 -2.684 1.00 0.00 C ATOM 1042 C HIS A 68 -3.698 2.997 -2.555 1.00 0.00 C ATOM 1043 O HIS A 68 -2.995 2.618 -1.619 1.00 0.00 O ATOM 1044 CB HIS A 68 -5.972 3.091 -1.538 1.00 0.00 C ATOM 1045 CG HIS A 68 -7.287 2.408 -1.289 1.00 0.00 C ATOM 1046 ND1 HIS A 68 -8.501 2.898 -1.728 1.00 0.00 N ATOM 1047 CD2 HIS A 68 -7.571 1.266 -0.617 1.00 0.00 C ATOM 1048 CE1 HIS A 68 -9.468 2.088 -1.335 1.00 0.00 C ATOM 1049 NE2 HIS A 68 -8.929 1.092 -0.661 1.00 0.00 N ATOM 0 H HIS A 68 -4.654 0.636 -1.850 1.00 0.00 H new ATOM 0 HA HIS A 68 -5.561 2.815 -3.634 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -5.383 3.056 -0.621 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -6.162 4.142 -1.755 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -6.858 0.613 -0.135 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -10.522 2.220 -1.533 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -9.441 0.317 -0.240 1.00 0.00 H new ATOM 1058 N ALA A 69 -3.261 3.836 -3.488 1.00 0.00 N ATOM 1059 CA ALA A 69 -1.907 4.379 -3.434 1.00 0.00 C ATOM 1060 C ALA A 69 -1.827 5.572 -2.498 1.00 0.00 C ATOM 1061 O ALA A 69 -2.527 6.569 -2.683 1.00 0.00 O ATOM 1062 CB ALA A 69 -1.424 4.792 -4.813 1.00 0.00 C ATOM 0 H ALA A 69 -3.817 4.153 -4.283 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.263 3.586 -3.054 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.413 5.192 -4.740 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.424 3.925 -5.473 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.088 5.556 -5.217 1.00 0.00 H new ATOM 1068 N PHE A 70 -0.938 5.481 -1.526 1.00 0.00 N ATOM 1069 CA PHE A 70 -0.706 6.570 -0.598 1.00 0.00 C ATOM 1070 C PHE A 70 0.713 7.081 -0.720 1.00 0.00 C ATOM 1071 O PHE A 70 1.650 6.310 -0.938 1.00 0.00 O ATOM 1072 CB PHE A 70 -0.966 6.125 0.841 1.00 0.00 C ATOM 1073 CG PHE A 70 -2.419 6.015 1.182 1.00 0.00 C ATOM 1074 CD1 PHE A 70 -3.119 4.847 0.934 1.00 0.00 C ATOM 1075 CD2 PHE A 70 -3.086 7.085 1.752 1.00 0.00 C ATOM 1076 CE1 PHE A 70 -4.458 4.749 1.252 1.00 0.00 C ATOM 1077 CE2 PHE A 70 -4.424 6.993 2.070 1.00 0.00 C ATOM 1078 CZ PHE A 70 -5.110 5.824 1.820 1.00 0.00 C ATOM 0 H PHE A 70 -0.361 4.657 -1.359 1.00 0.00 H new ATOM 0 HA PHE A 70 -1.399 7.373 -0.849 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.489 5.159 1.005 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -0.494 6.833 1.522 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -2.612 4.004 0.487 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -2.552 8.003 1.950 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -4.995 3.832 1.057 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.934 7.835 2.514 1.00 0.00 H new ATOM 0 HZ PHE A 70 -6.158 5.749 2.069 1.00 0.00 H new ATOM 1088 N LYS A 71 0.860 8.389 -0.620 1.00 0.00 N ATOM 1089 CA LYS A 71 2.173 8.999 -0.568 1.00 0.00 C ATOM 1090 C LYS A 71 2.703 8.943 0.857 1.00 0.00 C ATOM 1091 O LYS A 71 2.037 9.382 1.798 1.00 0.00 O ATOM 1092 CB LYS A 71 2.134 10.450 -1.063 1.00 0.00 C ATOM 1093 CG LYS A 71 2.330 10.623 -2.566 1.00 0.00 C ATOM 1094 CD LYS A 71 1.106 10.209 -3.370 1.00 0.00 C ATOM 1095 CE LYS A 71 1.136 8.735 -3.743 1.00 0.00 C ATOM 1096 NZ LYS A 71 -0.109 8.317 -4.443 1.00 0.00 N ATOM 0 H LYS A 71 0.084 9.049 -0.573 1.00 0.00 H new ATOM 0 HA LYS A 71 2.839 8.442 -1.227 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.176 10.888 -0.784 1.00 0.00 H new ATOM 0 HB3 LYS A 71 2.907 11.016 -0.543 1.00 0.00 H new ATOM 0 HG2 LYS A 71 2.564 11.666 -2.780 1.00 0.00 H new ATOM 0 HG3 LYS A 71 3.187 10.031 -2.887 1.00 0.00 H new ATOM 0 HD2 LYS A 71 0.206 10.418 -2.792 1.00 0.00 H new ATOM 0 HD3 LYS A 71 1.049 10.811 -4.277 1.00 0.00 H new ATOM 0 HE2 LYS A 71 1.996 8.539 -4.383 1.00 0.00 H new ATOM 0 HE3 LYS A 71 1.266 8.135 -2.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 0.093 7.498 -5.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -0.831 8.057 -3.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -0.460 9.103 -5.026 1.00 0.00 H new ATOM 1110 N LYS A 72 3.883 8.373 1.010 1.00 0.00 N ATOM 1111 CA LYS A 72 4.504 8.218 2.315 1.00 0.00 C ATOM 1112 C LYS A 72 5.735 9.108 2.396 1.00 0.00 C ATOM 1113 O LYS A 72 6.036 9.835 1.449 1.00 0.00 O ATOM 1114 CB LYS A 72 4.900 6.758 2.545 1.00 0.00 C ATOM 1115 CG LYS A 72 3.761 5.769 2.334 1.00 0.00 C ATOM 1116 CD LYS A 72 2.704 5.858 3.426 1.00 0.00 C ATOM 1117 CE LYS A 72 3.271 5.485 4.788 1.00 0.00 C ATOM 1118 NZ LYS A 72 2.205 5.341 5.814 1.00 0.00 N ATOM 0 H LYS A 72 4.438 8.005 0.237 1.00 0.00 H new ATOM 0 HA LYS A 72 3.792 8.510 3.087 1.00 0.00 H new ATOM 0 HB2 LYS A 72 5.719 6.503 1.872 1.00 0.00 H new ATOM 0 HB3 LYS A 72 5.278 6.650 3.562 1.00 0.00 H new ATOM 0 HG2 LYS A 72 3.296 5.956 1.366 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.164 4.757 2.304 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.303 6.871 3.463 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.873 5.195 3.184 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.825 4.550 4.707 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.981 6.249 5.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.632 5.357 6.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 1.529 6.126 5.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.708 4.439 5.674 1.00 0.00 H new ATOM 1132 N ALA A 73 6.441 9.049 3.515 1.00 0.00 N ATOM 1133 CA ALA A 73 7.650 9.839 3.701 1.00 0.00 C ATOM 1134 C ALA A 73 8.722 9.457 2.683 1.00 0.00 C ATOM 1135 O ALA A 73 9.494 8.521 2.896 1.00 0.00 O ATOM 1136 CB ALA A 73 8.178 9.669 5.114 1.00 0.00 C ATOM 0 H ALA A 73 6.197 8.460 4.311 1.00 0.00 H new ATOM 0 HA ALA A 73 7.396 10.887 3.543 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.082 10.265 5.239 1.00 0.00 H new ATOM 0 HB2 ALA A 73 7.423 10.001 5.827 1.00 0.00 H new ATOM 0 HB3 ALA A 73 8.409 8.619 5.292 1.00 0.00 H new ATOM 1142 N GLY A 74 8.731 10.165 1.561 1.00 0.00 N ATOM 1143 CA GLY A 74 9.705 9.919 0.514 1.00 0.00 C ATOM 1144 C GLY A 74 9.479 8.615 -0.226 1.00 0.00 C ATOM 1145 O GLY A 74 10.293 8.225 -1.064 1.00 0.00 O ATOM 0 H GLY A 74 8.071 10.915 1.356 1.00 0.00 H new ATOM 0 HA2 GLY A 74 9.676 10.743 -0.199 1.00 0.00 H new ATOM 0 HA3 GLY A 74 10.703 9.911 0.952 1.00 0.00 H new ATOM 1149 N HIS A 75 8.372 7.944 0.063 1.00 0.00 N ATOM 1150 CA HIS A 75 8.107 6.628 -0.506 1.00 0.00 C ATOM 1151 C HIS A 75 6.633 6.463 -0.844 1.00 0.00 C ATOM 1152 O HIS A 75 5.819 7.332 -0.545 1.00 0.00 O ATOM 1153 CB HIS A 75 8.564 5.525 0.451 1.00 0.00 C ATOM 1154 CG HIS A 75 10.053 5.366 0.494 1.00 0.00 C ATOM 1155 ND1 HIS A 75 10.793 5.421 1.653 1.00 0.00 N ATOM 1156 CD2 HIS A 75 10.943 5.161 -0.502 1.00 0.00 C ATOM 1157 CE1 HIS A 75 12.070 5.258 1.366 1.00 0.00 C ATOM 1158 NE2 HIS A 75 12.191 5.098 0.062 1.00 0.00 N ATOM 0 H HIS A 75 7.643 8.288 0.688 1.00 0.00 H new ATOM 0 HA HIS A 75 8.677 6.543 -1.431 1.00 0.00 H new ATOM 0 HB2 HIS A 75 8.199 5.748 1.454 1.00 0.00 H new ATOM 0 HB3 HIS A 75 8.112 4.580 0.150 1.00 0.00 H new ATOM 0 HD2 HIS A 75 10.713 5.064 -1.553 1.00 0.00 H new ATOM 0 HE1 HIS A 75 12.881 5.256 2.079 1.00 0.00 H new ATOM 0 HE2 HIS A 75 13.066 4.952 -0.442 1.00 0.00 H new ATOM 1167 N PHE A 76 6.297 5.355 -1.489 1.00 0.00 N ATOM 1168 CA PHE A 76 4.935 5.116 -1.942 1.00 0.00 C ATOM 1169 C PHE A 76 4.450 3.758 -1.470 1.00 0.00 C ATOM 1170 O PHE A 76 5.129 2.758 -1.655 1.00 0.00 O ATOM 1171 CB PHE A 76 4.878 5.182 -3.468 1.00 0.00 C ATOM 1172 CG PHE A 76 5.383 6.480 -4.030 1.00 0.00 C ATOM 1173 CD1 PHE A 76 4.598 7.618 -3.990 1.00 0.00 C ATOM 1174 CD2 PHE A 76 6.646 6.561 -4.592 1.00 0.00 C ATOM 1175 CE1 PHE A 76 5.062 8.813 -4.499 1.00 0.00 C ATOM 1176 CE2 PHE A 76 7.117 7.753 -5.103 1.00 0.00 C ATOM 1177 CZ PHE A 76 6.323 8.881 -5.058 1.00 0.00 C ATOM 0 H PHE A 76 6.952 4.605 -1.711 1.00 0.00 H new ATOM 0 HA PHE A 76 4.287 5.885 -1.521 1.00 0.00 H new ATOM 0 HB2 PHE A 76 5.466 4.363 -3.882 1.00 0.00 H new ATOM 0 HB3 PHE A 76 3.848 5.031 -3.792 1.00 0.00 H new ATOM 0 HD1 PHE A 76 3.611 7.570 -3.555 1.00 0.00 H new ATOM 0 HD2 PHE A 76 7.270 5.680 -4.631 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.440 9.695 -4.460 1.00 0.00 H new ATOM 0 HE2 PHE A 76 8.105 7.803 -5.537 1.00 0.00 H new ATOM 0 HZ PHE A 76 6.687 9.815 -5.459 1.00 0.00 H new ATOM 1187 N ILE A 77 3.281 3.714 -0.853 1.00 0.00 N ATOM 1188 CA ILE A 77 2.743 2.455 -0.367 1.00 0.00 C ATOM 1189 C ILE A 77 1.288 2.293 -0.784 1.00 0.00 C ATOM 1190 O ILE A 77 0.496 3.233 -0.696 1.00 0.00 O ATOM 1191 CB ILE A 77 2.863 2.342 1.169 1.00 0.00 C ATOM 1192 CG1 ILE A 77 4.334 2.404 1.589 1.00 0.00 C ATOM 1193 CG2 ILE A 77 2.219 1.054 1.672 1.00 0.00 C ATOM 1194 CD1 ILE A 77 4.552 2.247 3.078 1.00 0.00 C ATOM 0 H ILE A 77 2.691 4.528 -0.678 1.00 0.00 H new ATOM 0 HA ILE A 77 3.334 1.656 -0.816 1.00 0.00 H new ATOM 0 HB ILE A 77 2.333 3.182 1.618 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.884 1.622 1.066 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.754 3.358 1.269 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.317 0.998 2.756 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.163 1.046 1.402 1.00 0.00 H new ATOM 0 HG23 ILE A 77 2.717 0.197 1.218 1.00 0.00 H new ATOM 0 HD11 ILE A 77 5.618 2.302 3.297 1.00 0.00 H new ATOM 0 HD12 ILE A 77 4.031 3.044 3.608 1.00 0.00 H new ATOM 0 HD13 ILE A 77 4.164 1.282 3.403 1.00 0.00 H new ATOM 1206 N VAL A 78 0.954 1.106 -1.262 1.00 0.00 N ATOM 1207 CA VAL A 78 -0.405 0.794 -1.669 1.00 0.00 C ATOM 1208 C VAL A 78 -1.078 -0.090 -0.631 1.00 0.00 C ATOM 1209 O VAL A 78 -0.678 -1.236 -0.426 1.00 0.00 O ATOM 1210 CB VAL A 78 -0.433 0.086 -3.037 1.00 0.00 C ATOM 1211 CG1 VAL A 78 -1.863 -0.234 -3.453 1.00 0.00 C ATOM 1212 CG2 VAL A 78 0.250 0.941 -4.089 1.00 0.00 C ATOM 0 H VAL A 78 1.613 0.336 -1.378 1.00 0.00 H new ATOM 0 HA VAL A 78 -0.946 1.736 -1.754 1.00 0.00 H new ATOM 0 HB VAL A 78 0.111 -0.854 -2.947 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.857 -0.733 -4.422 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.320 -0.888 -2.710 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.436 0.690 -3.525 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.222 0.427 -5.050 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.268 1.897 -4.173 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.287 1.114 -3.800 1.00 0.00 H new ATOM 1222 N TYR A 79 -2.084 0.451 0.029 1.00 0.00 N ATOM 1223 CA TYR A 79 -2.813 -0.282 1.042 1.00 0.00 C ATOM 1224 C TYR A 79 -4.050 -0.936 0.437 1.00 0.00 C ATOM 1225 O TYR A 79 -4.849 -0.276 -0.230 1.00 0.00 O ATOM 1226 CB TYR A 79 -3.209 0.660 2.178 1.00 0.00 C ATOM 1227 CG TYR A 79 -2.031 1.236 2.938 1.00 0.00 C ATOM 1228 CD1 TYR A 79 -1.340 2.341 2.456 1.00 0.00 C ATOM 1229 CD2 TYR A 79 -1.611 0.675 4.137 1.00 0.00 C ATOM 1230 CE1 TYR A 79 -0.266 2.871 3.146 1.00 0.00 C ATOM 1231 CE2 TYR A 79 -0.538 1.200 4.834 1.00 0.00 C ATOM 1232 CZ TYR A 79 0.132 2.297 4.333 1.00 0.00 C ATOM 1233 OH TYR A 79 1.198 2.828 5.025 1.00 0.00 O ATOM 0 H TYR A 79 -2.416 1.404 -0.121 1.00 0.00 H new ATOM 0 HA TYR A 79 -2.171 -1.067 1.442 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -3.800 1.479 1.768 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -3.851 0.122 2.876 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -1.648 2.794 1.525 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -2.131 -0.185 4.532 1.00 0.00 H new ATOM 0 HE1 TYR A 79 0.258 3.731 2.756 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -0.226 0.753 5.766 1.00 0.00 H new ATOM 0 HH TYR A 79 1.349 2.308 5.842 1.00 0.00 H new ATOM 1243 N PHE A 80 -4.193 -2.233 0.657 1.00 0.00 N ATOM 1244 CA PHE A 80 -5.303 -2.997 0.114 1.00 0.00 C ATOM 1245 C PHE A 80 -6.368 -3.227 1.176 1.00 0.00 C ATOM 1246 O PHE A 80 -6.093 -3.797 2.232 1.00 0.00 O ATOM 1247 CB PHE A 80 -4.805 -4.343 -0.410 1.00 0.00 C ATOM 1248 CG PHE A 80 -3.958 -4.240 -1.649 1.00 0.00 C ATOM 1249 CD1 PHE A 80 -2.602 -3.971 -1.559 1.00 0.00 C ATOM 1250 CD2 PHE A 80 -4.523 -4.417 -2.901 1.00 0.00 C ATOM 1251 CE1 PHE A 80 -1.824 -3.879 -2.697 1.00 0.00 C ATOM 1252 CE2 PHE A 80 -3.749 -4.326 -4.043 1.00 0.00 C ATOM 1253 CZ PHE A 80 -2.400 -4.057 -3.942 1.00 0.00 C ATOM 0 H PHE A 80 -3.543 -2.785 1.217 1.00 0.00 H new ATOM 0 HA PHE A 80 -5.742 -2.428 -0.706 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -4.228 -4.835 0.373 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -5.664 -4.980 -0.621 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -2.148 -3.832 -0.589 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -5.579 -4.628 -2.986 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -0.768 -3.668 -2.615 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -4.201 -4.466 -5.014 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.794 -3.985 -4.833 1.00 0.00 H new ATOM 1263 N THR A 81 -7.581 -2.786 0.893 1.00 0.00 N ATOM 1264 CA THR A 81 -8.687 -2.954 1.817 1.00 0.00 C ATOM 1265 C THR A 81 -9.740 -3.892 1.222 1.00 0.00 C ATOM 1266 O THR A 81 -9.775 -4.088 0.004 1.00 0.00 O ATOM 1267 CB THR A 81 -9.322 -1.592 2.157 1.00 0.00 C ATOM 1268 OG1 THR A 81 -9.812 -0.951 0.968 1.00 0.00 O ATOM 1269 CG2 THR A 81 -8.315 -0.684 2.842 1.00 0.00 C ATOM 0 H THR A 81 -7.825 -2.307 0.026 1.00 0.00 H new ATOM 0 HA THR A 81 -8.301 -3.396 2.736 1.00 0.00 H new ATOM 0 HB THR A 81 -10.156 -1.774 2.835 1.00 0.00 H new ATOM 0 HG1 THR A 81 -10.762 -0.737 1.080 1.00 0.00 H new ATOM 0 HG21 THR A 81 -8.785 0.272 3.073 1.00 0.00 H new ATOM 0 HG22 THR A 81 -7.972 -1.152 3.765 1.00 0.00 H new ATOM 0 HG23 THR A 81 -7.464 -0.520 2.181 1.00 0.00 H new ATOM 1277 N PRO A 82 -10.600 -4.498 2.066 1.00 0.00 N ATOM 1278 CA PRO A 82 -11.628 -5.453 1.614 1.00 0.00 C ATOM 1279 C PRO A 82 -12.788 -4.791 0.869 1.00 0.00 C ATOM 1280 O PRO A 82 -13.938 -4.833 1.310 1.00 0.00 O ATOM 1281 CB PRO A 82 -12.112 -6.092 2.916 1.00 0.00 C ATOM 1282 CG PRO A 82 -11.867 -5.056 3.956 1.00 0.00 C ATOM 1283 CD PRO A 82 -10.627 -4.318 3.530 1.00 0.00 C ATOM 0 HA PRO A 82 -11.223 -6.164 0.894 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -13.168 -6.355 2.860 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -11.566 -7.010 3.134 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -12.716 -4.377 4.036 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -11.731 -5.513 4.936 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -10.674 -3.264 3.803 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -9.734 -4.730 4.001 1.00 0.00 H new ATOM 1291 N LYS A 83 -12.448 -4.167 -0.251 1.00 0.00 N ATOM 1292 CA LYS A 83 -13.414 -3.639 -1.209 1.00 0.00 C ATOM 1293 C LYS A 83 -14.319 -2.559 -0.622 1.00 0.00 C ATOM 1294 O LYS A 83 -15.369 -2.249 -1.189 1.00 0.00 O ATOM 1295 CB LYS A 83 -14.258 -4.764 -1.802 1.00 0.00 C ATOM 1296 CG LYS A 83 -14.200 -4.781 -3.315 1.00 0.00 C ATOM 1297 CD LYS A 83 -15.148 -5.800 -3.922 1.00 0.00 C ATOM 1298 CE LYS A 83 -15.388 -5.507 -5.395 1.00 0.00 C ATOM 1299 NZ LYS A 83 -16.244 -4.307 -5.588 1.00 0.00 N ATOM 0 H LYS A 83 -11.478 -4.010 -0.525 1.00 0.00 H new ATOM 0 HA LYS A 83 -12.829 -3.166 -1.998 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -13.909 -5.721 -1.415 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -15.293 -4.649 -1.480 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -14.445 -3.790 -3.696 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -13.181 -5.002 -3.634 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -14.733 -6.801 -3.809 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -16.096 -5.786 -3.385 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -14.432 -5.355 -5.896 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -15.861 -6.370 -5.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -16.607 -4.293 -6.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -17.042 -4.339 -4.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -15.683 -3.449 -5.415 1.00 0.00 H new ATOM 1313 N ASN A 84 -13.911 -1.965 0.487 1.00 0.00 N ATOM 1314 CA ASN A 84 -14.633 -0.824 1.025 1.00 0.00 C ATOM 1315 C ASN A 84 -14.212 0.446 0.291 1.00 0.00 C ATOM 1316 O ASN A 84 -13.358 1.204 0.752 1.00 0.00 O ATOM 1317 CB ASN A 84 -14.448 -0.683 2.549 1.00 0.00 C ATOM 1318 CG ASN A 84 -13.014 -0.873 3.011 1.00 0.00 C ATOM 1319 OD1 ASN A 84 -12.070 -0.669 2.257 1.00 0.00 O ATOM 1320 ND2 ASN A 84 -12.840 -1.259 4.268 1.00 0.00 N ATOM 0 H ASN A 84 -13.094 -2.249 1.027 1.00 0.00 H new ATOM 0 HA ASN A 84 -15.698 -0.989 0.861 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -14.792 0.304 2.858 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -15.082 -1.413 3.052 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -11.898 -1.395 4.634 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -13.649 -1.420 4.869 1.00 0.00 H new ATOM 1327 N LYS A 85 -14.793 0.632 -0.889 1.00 0.00 N ATOM 1328 CA LYS A 85 -14.537 1.805 -1.714 1.00 0.00 C ATOM 1329 C LYS A 85 -14.918 3.057 -0.938 1.00 0.00 C ATOM 1330 O LYS A 85 -14.186 4.046 -0.915 1.00 0.00 O ATOM 1331 CB LYS A 85 -15.357 1.703 -3.007 1.00 0.00 C ATOM 1332 CG LYS A 85 -14.957 2.693 -4.089 1.00 0.00 C ATOM 1333 CD LYS A 85 -13.528 2.467 -4.553 1.00 0.00 C ATOM 1334 CE LYS A 85 -13.253 3.179 -5.864 1.00 0.00 C ATOM 1335 NZ LYS A 85 -14.044 2.601 -6.986 1.00 0.00 N ATOM 0 H LYS A 85 -15.455 -0.027 -1.300 1.00 0.00 H new ATOM 0 HA LYS A 85 -13.479 1.859 -1.971 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -15.261 0.692 -3.404 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -16.410 1.853 -2.767 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -15.635 2.599 -4.937 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -15.060 3.709 -3.709 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -12.836 2.824 -3.791 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -13.347 1.399 -4.672 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -13.491 4.237 -5.759 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -12.190 3.113 -6.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -14.245 3.342 -7.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -13.501 1.837 -7.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -14.939 2.219 -6.619 1.00 0.00 H new ATOM 1349 N ASN A 86 -16.079 2.981 -0.304 1.00 0.00 N ATOM 1350 CA ASN A 86 -16.551 3.992 0.628 1.00 0.00 C ATOM 1351 C ASN A 86 -17.740 3.430 1.394 1.00 0.00 C ATOM 1352 O ASN A 86 -18.895 3.581 0.998 1.00 0.00 O ATOM 1353 CB ASN A 86 -16.899 5.321 -0.077 1.00 0.00 C ATOM 1354 CG ASN A 86 -17.806 5.170 -1.290 1.00 0.00 C ATOM 1355 OD1 ASN A 86 -17.335 4.963 -2.410 1.00 0.00 O ATOM 1356 ND2 ASN A 86 -19.108 5.301 -1.083 1.00 0.00 N ATOM 0 H ASN A 86 -16.728 2.204 -0.425 1.00 0.00 H new ATOM 0 HA ASN A 86 -15.749 4.232 1.327 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -17.381 5.984 0.641 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -15.974 5.806 -0.388 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -19.758 5.231 -1.866 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -19.460 5.472 -0.141 1.00 0.00 H new ATOM 1363 N ARG A 87 -17.443 2.713 2.469 1.00 0.00 N ATOM 1364 CA ARG A 87 -18.471 2.011 3.225 1.00 0.00 C ATOM 1365 C ARG A 87 -19.404 3.002 3.905 1.00 0.00 C ATOM 1366 O ARG A 87 -20.622 2.945 3.727 1.00 0.00 O ATOM 1367 CB ARG A 87 -17.834 1.077 4.256 1.00 0.00 C ATOM 1368 CG ARG A 87 -18.833 0.220 5.022 1.00 0.00 C ATOM 1369 CD ARG A 87 -19.445 -0.876 4.154 1.00 0.00 C ATOM 1370 NE ARG A 87 -20.274 -0.347 3.068 1.00 0.00 N ATOM 1371 CZ ARG A 87 -21.572 -0.617 2.924 1.00 0.00 C ATOM 1372 NH1 ARG A 87 -22.200 -1.368 3.815 1.00 0.00 N ATOM 1373 NH2 ARG A 87 -22.239 -0.124 1.889 1.00 0.00 N ATOM 0 H ARG A 87 -16.498 2.602 2.837 1.00 0.00 H new ATOM 0 HA ARG A 87 -19.058 1.408 2.532 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -17.125 0.423 3.748 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -17.264 1.674 4.967 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -18.336 -0.234 5.879 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -19.627 0.855 5.414 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -18.647 -1.486 3.731 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -20.050 -1.532 4.779 1.00 0.00 H new ATOM 0 HE ARG A 87 -19.832 0.264 2.381 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -21.691 -1.743 4.616 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -23.193 -1.572 3.701 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -21.759 0.461 1.205 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -23.232 -0.330 1.777 1.00 0.00 H new ATOM 1387 N GLU A 88 -18.831 3.901 4.684 1.00 0.00 N ATOM 1388 CA GLU A 88 -19.602 4.954 5.317 1.00 0.00 C ATOM 1389 C GLU A 88 -19.807 6.102 4.338 1.00 0.00 C ATOM 1390 O GLU A 88 -19.044 6.255 3.382 1.00 0.00 O ATOM 1391 CB GLU A 88 -18.901 5.473 6.576 1.00 0.00 C ATOM 1392 CG GLU A 88 -18.365 4.380 7.489 1.00 0.00 C ATOM 1393 CD GLU A 88 -16.936 3.998 7.163 1.00 0.00 C ATOM 1394 OE1 GLU A 88 -16.728 3.108 6.315 1.00 0.00 O ATOM 1395 OE2 GLU A 88 -16.012 4.593 7.756 1.00 0.00 O ATOM 0 H GLU A 88 -17.833 3.923 4.893 1.00 0.00 H new ATOM 0 HA GLU A 88 -20.567 4.540 5.608 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -18.075 6.119 6.278 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -19.601 6.090 7.139 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -18.420 4.717 8.524 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -19.001 3.498 7.406 1.00 0.00 H new ATOM 1402 N GLY A 89 -20.819 6.919 4.585 1.00 0.00 N ATOM 1403 CA GLY A 89 -21.091 8.045 3.712 1.00 0.00 C ATOM 1404 C GLY A 89 -20.350 9.292 4.154 1.00 0.00 C ATOM 1405 O GLY A 89 -20.915 10.385 4.181 1.00 0.00 O ATOM 0 H GLY A 89 -21.458 6.824 5.374 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -20.801 7.792 2.692 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -22.163 8.244 3.699 1.00 0.00 H new ATOM 1409 N VAL A 90 -19.083 9.121 4.491 1.00 0.00 N ATOM 1410 CA VAL A 90 -18.273 10.211 5.007 1.00 0.00 C ATOM 1411 C VAL A 90 -17.456 10.856 3.898 1.00 0.00 C ATOM 1412 O VAL A 90 -17.041 10.190 2.949 1.00 0.00 O ATOM 1413 CB VAL A 90 -17.326 9.727 6.130 1.00 0.00 C ATOM 1414 CG1 VAL A 90 -18.129 9.220 7.319 1.00 0.00 C ATOM 1415 CG2 VAL A 90 -16.382 8.643 5.623 1.00 0.00 C ATOM 0 H VAL A 90 -18.590 8.231 4.416 1.00 0.00 H new ATOM 0 HA VAL A 90 -18.958 10.951 5.422 1.00 0.00 H new ATOM 0 HB VAL A 90 -16.722 10.575 6.452 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -17.448 8.883 8.101 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -18.755 10.025 7.705 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -18.760 8.389 7.004 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -15.728 8.322 6.434 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -16.963 7.792 5.267 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -15.779 9.039 4.806 1.00 0.00 H new ATOM 1425 N VAL A 91 -17.247 12.157 4.014 1.00 0.00 N ATOM 1426 CA VAL A 91 -16.437 12.888 3.050 1.00 0.00 C ATOM 1427 C VAL A 91 -15.382 13.736 3.760 1.00 0.00 C ATOM 1428 O VAL A 91 -15.681 14.784 4.334 1.00 0.00 O ATOM 1429 CB VAL A 91 -17.294 13.778 2.115 1.00 0.00 C ATOM 1430 CG1 VAL A 91 -18.005 12.925 1.076 1.00 0.00 C ATOM 1431 CG2 VAL A 91 -18.306 14.598 2.904 1.00 0.00 C ATOM 0 H VAL A 91 -17.627 12.731 4.767 1.00 0.00 H new ATOM 0 HA VAL A 91 -15.939 12.143 2.429 1.00 0.00 H new ATOM 0 HB VAL A 91 -16.623 14.470 1.607 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -18.603 13.565 0.427 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -17.267 12.390 0.478 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -18.655 12.208 1.577 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -18.891 15.211 2.219 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -18.971 13.928 3.449 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -17.781 15.242 3.610 1.00 0.00 H new ATOM 1441 N PRO A 92 -14.132 13.265 3.760 1.00 0.00 N ATOM 1442 CA PRO A 92 -13.013 13.984 4.368 1.00 0.00 C ATOM 1443 C PRO A 92 -12.452 15.054 3.429 1.00 0.00 C ATOM 1444 O PRO A 92 -12.935 15.210 2.306 1.00 0.00 O ATOM 1445 CB PRO A 92 -11.994 12.867 4.596 1.00 0.00 C ATOM 1446 CG PRO A 92 -12.234 11.912 3.480 1.00 0.00 C ATOM 1447 CD PRO A 92 -13.707 11.980 3.169 1.00 0.00 C ATOM 0 HA PRO A 92 -13.289 14.523 5.275 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -10.974 13.250 4.578 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -12.138 12.390 5.565 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -11.640 12.179 2.606 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -11.944 10.901 3.765 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -13.891 11.953 2.095 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -14.247 11.140 3.606 1.00 0.00 H new ATOM 1455 N PRO A 93 -11.454 15.833 3.884 1.00 0.00 N ATOM 1456 CA PRO A 93 -10.760 16.792 3.022 1.00 0.00 C ATOM 1457 C PRO A 93 -10.050 16.093 1.865 1.00 0.00 C ATOM 1458 O PRO A 93 -9.008 15.461 2.048 1.00 0.00 O ATOM 1459 CB PRO A 93 -9.745 17.465 3.954 1.00 0.00 C ATOM 1460 CG PRO A 93 -10.247 17.197 5.331 1.00 0.00 C ATOM 1461 CD PRO A 93 -10.942 15.868 5.263 1.00 0.00 C ATOM 0 HA PRO A 93 -11.447 17.501 2.560 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -8.746 17.054 3.812 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -9.680 18.535 3.759 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -9.427 17.173 6.048 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -10.932 17.980 5.657 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -10.257 15.044 5.460 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -11.747 15.795 5.994 1.00 0.00 H new ATOM 1469 N VAL A 94 -10.631 16.200 0.680 1.00 0.00 N ATOM 1470 CA VAL A 94 -10.109 15.532 -0.496 1.00 0.00 C ATOM 1471 C VAL A 94 -9.010 16.359 -1.147 1.00 0.00 C ATOM 1472 O VAL A 94 -8.260 15.868 -1.994 1.00 0.00 O ATOM 1473 CB VAL A 94 -11.228 15.258 -1.522 1.00 0.00 C ATOM 1474 CG1 VAL A 94 -12.277 14.323 -0.937 1.00 0.00 C ATOM 1475 CG2 VAL A 94 -11.870 16.557 -1.995 1.00 0.00 C ATOM 0 H VAL A 94 -11.473 16.750 0.510 1.00 0.00 H new ATOM 0 HA VAL A 94 -9.690 14.579 -0.171 1.00 0.00 H new ATOM 0 HB VAL A 94 -10.777 14.772 -2.387 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -13.057 14.143 -1.677 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -11.810 13.377 -0.665 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -12.717 14.779 -0.050 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -12.655 16.333 -2.717 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -12.301 17.082 -1.142 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -11.114 17.187 -2.464 1.00 0.00 H new ATOM 1485 N GLY A 95 -8.920 17.619 -0.745 1.00 0.00 N ATOM 1486 CA GLY A 95 -7.900 18.495 -1.269 1.00 0.00 C ATOM 1487 C GLY A 95 -7.775 19.766 -0.462 1.00 0.00 C ATOM 1488 O GLY A 95 -8.678 20.601 -0.467 1.00 0.00 O ATOM 0 H GLY A 95 -9.541 18.049 -0.060 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -6.943 17.974 -1.275 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -8.133 18.744 -2.304 1.00 0.00 H new ATOM 1492 N ILE A 96 -6.672 19.901 0.260 1.00 0.00 N ATOM 1493 CA ILE A 96 -6.409 21.111 1.029 1.00 0.00 C ATOM 1494 C ILE A 96 -5.442 22.026 0.278 1.00 0.00 C ATOM 1495 O ILE A 96 -5.537 23.252 0.353 1.00 0.00 O ATOM 1496 CB ILE A 96 -5.838 20.786 2.429 1.00 0.00 C ATOM 1497 CG1 ILE A 96 -4.558 19.950 2.318 1.00 0.00 C ATOM 1498 CG2 ILE A 96 -6.883 20.057 3.263 1.00 0.00 C ATOM 1499 CD1 ILE A 96 -3.880 19.692 3.648 1.00 0.00 C ATOM 0 H ILE A 96 -5.945 19.189 0.330 1.00 0.00 H new ATOM 0 HA ILE A 96 -7.362 21.623 1.161 1.00 0.00 H new ATOM 0 HB ILE A 96 -5.584 21.723 2.924 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -4.798 18.995 1.852 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -3.858 20.460 1.657 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -6.471 19.833 4.247 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -7.765 20.688 3.374 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -7.162 19.128 2.766 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -2.982 19.095 3.489 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -3.607 20.642 4.108 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -4.562 19.153 4.306 1.00 0.00 H new ATOM 1511 N THR A 97 -4.523 21.420 -0.461 1.00 0.00 N ATOM 1512 CA THR A 97 -3.551 22.165 -1.236 1.00 0.00 C ATOM 1513 C THR A 97 -4.023 22.317 -2.681 1.00 0.00 C ATOM 1514 O THR A 97 -3.725 21.483 -3.534 1.00 0.00 O ATOM 1515 CB THR A 97 -2.174 21.467 -1.217 1.00 0.00 C ATOM 1516 OG1 THR A 97 -1.815 21.133 0.132 1.00 0.00 O ATOM 1517 CG2 THR A 97 -1.099 22.359 -1.823 1.00 0.00 C ATOM 0 H THR A 97 -4.433 20.407 -0.538 1.00 0.00 H new ATOM 0 HA THR A 97 -3.451 23.151 -0.782 1.00 0.00 H new ATOM 0 HB THR A 97 -2.246 20.558 -1.815 1.00 0.00 H new ATOM 0 HG1 THR A 97 -0.941 20.689 0.138 1.00 0.00 H new ATOM 0 HG21 THR A 97 -0.140 21.842 -1.796 1.00 0.00 H new ATOM 0 HG22 THR A 97 -1.358 22.590 -2.856 1.00 0.00 H new ATOM 0 HG23 THR A 97 -1.029 23.284 -1.251 1.00 0.00 H new ATOM 1525 N ASN A 98 -4.794 23.363 -2.942 1.00 0.00 N ATOM 1526 CA ASN A 98 -5.271 23.636 -4.290 1.00 0.00 C ATOM 1527 C ASN A 98 -4.722 24.968 -4.768 1.00 0.00 C ATOM 1528 O ASN A 98 -3.787 24.967 -5.590 1.00 0.00 O ATOM 1529 CB ASN A 98 -6.802 23.650 -4.356 1.00 0.00 C ATOM 1530 CG ASN A 98 -7.420 22.329 -3.948 1.00 0.00 C ATOM 1531 OD1 ASN A 98 -7.773 22.130 -2.787 1.00 0.00 O ATOM 1532 ND2 ASN A 98 -7.552 21.413 -4.896 1.00 0.00 N ATOM 1533 OXT ASN A 98 -5.205 26.014 -4.288 1.00 0.00 O ATOM 0 H ASN A 98 -5.102 24.035 -2.240 1.00 0.00 H new ATOM 0 HA ASN A 98 -4.917 22.836 -4.940 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -7.182 24.439 -3.707 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -7.115 23.894 -5.371 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -7.959 20.504 -4.674 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -7.247 21.616 -5.848 1.00 0.00 H new TER 1540 ASN A 98