USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 667 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 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 74 HIS : no HD1:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 1 GLY N :NH3+ -118:sc= 0.124 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 30:sc= 1.02 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.0964 USER MOD Single : A 17 SER OG : rot 41:sc= 0.539 USER MOD Single : A 18 GLN : amide:sc= 0.0502 K(o=0.05,f=-6.6!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -146:sc= -0.172 USER MOD Single : A 27 GLN : amide:sc=-0.00454 X(o=-0.0045,f=0) USER MOD Single : A 28 MET CE :methyl 148:sc= 0 (180deg=-0.00419) USER MOD Single : A 29 ASN : amide:sc= -6.69! C(o=-6.7!,f=-22!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.221) USER MOD Single : A 36 HIS : no HD1:sc= -1.16 K(o=-1.2,f=-0.24) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -0.0076 K(o=-0.0076,f=-6.1!) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.302 X(o=-0.3,f=-0.51) USER MOD Single : A 58 GLN : amide:sc= -0.948 K(o=-0.95,f=-0.042) USER MOD Single : A 61 LYS NZ :NH3+ -173:sc= 0.0157 (180deg=0.0124) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.0263 X(o=-0.026,f=-0.058) USER MOD Single : A 66 TYR OH : rot 90:sc= -0.582 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0.1) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.368 -16.682 -8.130 1.00 0.00 N ATOM 2 CA GLY A 1 -8.142 -17.381 -8.476 1.00 0.00 C ATOM 3 C GLY A 1 -6.939 -16.768 -7.756 1.00 0.00 C ATOM 4 O GLY A 1 -7.047 -15.697 -7.160 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.021 -17.339 -7.657 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.148 -15.892 -7.490 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.813 -16.314 -8.995 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.232 -18.434 -8.209 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.986 -17.337 -9.554 1.00 0.00 H new ATOM 8 N SER A 2 -5.820 -17.474 -7.835 1.00 0.00 N ATOM 9 CA SER A 2 -4.598 -17.012 -7.198 1.00 0.00 C ATOM 10 C SER A 2 -3.386 -17.694 -7.836 1.00 0.00 C ATOM 11 O SER A 2 -3.459 -18.859 -8.224 1.00 0.00 O ATOM 12 CB SER A 2 -4.627 -17.280 -5.692 1.00 0.00 C ATOM 13 OG SER A 2 -4.176 -16.156 -4.941 1.00 0.00 O ATOM 0 H SER A 2 -5.734 -18.362 -8.330 1.00 0.00 H new ATOM 0 HA SER A 2 -4.520 -15.935 -7.346 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.642 -17.535 -5.389 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.001 -18.143 -5.465 1.00 0.00 H new ATOM 0 HG SER A 2 -4.211 -16.366 -3.984 1.00 0.00 H new ATOM 19 N SER A 3 -2.301 -16.940 -7.923 1.00 0.00 N ATOM 20 CA SER A 3 -1.075 -17.457 -8.507 1.00 0.00 C ATOM 21 C SER A 3 0.117 -16.610 -8.058 1.00 0.00 C ATOM 22 O SER A 3 0.128 -15.395 -8.253 1.00 0.00 O ATOM 23 CB SER A 3 -1.161 -17.485 -10.034 1.00 0.00 C ATOM 24 OG SER A 3 -0.103 -18.242 -10.615 1.00 0.00 O ATOM 0 H SER A 3 -2.245 -15.975 -7.599 1.00 0.00 H new ATOM 0 HA SER A 3 -0.936 -18.481 -8.159 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.118 -17.910 -10.335 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.130 -16.465 -10.418 1.00 0.00 H new ATOM 0 HG SER A 3 -0.195 -18.237 -11.591 1.00 0.00 H new ATOM 30 N GLY A 4 1.091 -17.284 -7.465 1.00 0.00 N ATOM 31 CA GLY A 4 2.285 -16.608 -6.986 1.00 0.00 C ATOM 32 C GLY A 4 3.443 -17.593 -6.818 1.00 0.00 C ATOM 33 O GLY A 4 3.227 -18.763 -6.506 1.00 0.00 O ATOM 0 H GLY A 4 1.078 -18.291 -7.305 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.569 -15.824 -7.687 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.075 -16.123 -6.033 1.00 0.00 H new ATOM 37 N SER A 5 4.647 -17.084 -7.033 1.00 0.00 N ATOM 38 CA SER A 5 5.840 -17.905 -6.909 1.00 0.00 C ATOM 39 C SER A 5 7.080 -17.015 -6.806 1.00 0.00 C ATOM 40 O SER A 5 7.839 -17.110 -5.842 1.00 0.00 O ATOM 41 CB SER A 5 5.973 -18.865 -8.093 1.00 0.00 C ATOM 42 OG SER A 5 5.223 -20.061 -7.897 1.00 0.00 O ATOM 0 H SER A 5 4.822 -16.113 -7.292 1.00 0.00 H new ATOM 0 HA SER A 5 5.752 -18.501 -6.000 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.633 -18.369 -9.002 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.023 -19.116 -8.240 1.00 0.00 H new ATOM 0 HG SER A 5 4.442 -19.869 -7.337 1.00 0.00 H new ATOM 48 N SER A 6 7.247 -16.169 -7.812 1.00 0.00 N ATOM 49 CA SER A 6 8.382 -15.262 -7.846 1.00 0.00 C ATOM 50 C SER A 6 7.901 -13.831 -8.096 1.00 0.00 C ATOM 51 O SER A 6 7.993 -13.328 -9.214 1.00 0.00 O ATOM 52 CB SER A 6 9.387 -15.679 -8.922 1.00 0.00 C ATOM 53 OG SER A 6 10.727 -15.662 -8.435 1.00 0.00 O ATOM 0 H SER A 6 6.616 -16.092 -8.609 1.00 0.00 H new ATOM 0 HA SER A 6 8.885 -15.306 -6.880 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.143 -16.680 -9.278 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.303 -15.008 -9.777 1.00 0.00 H new ATOM 0 HG SER A 6 11.339 -15.936 -9.150 1.00 0.00 H new ATOM 59 N GLY A 7 7.398 -13.217 -7.035 1.00 0.00 N ATOM 60 CA GLY A 7 6.903 -11.854 -7.125 1.00 0.00 C ATOM 61 C GLY A 7 7.469 -10.989 -5.997 1.00 0.00 C ATOM 62 O GLY A 7 8.195 -11.483 -5.136 1.00 0.00 O ATOM 0 H GLY A 7 7.323 -13.638 -6.109 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.178 -11.426 -8.089 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.814 -11.855 -7.076 1.00 0.00 H new ATOM 66 N LEU A 8 7.114 -9.713 -6.037 1.00 0.00 N ATOM 67 CA LEU A 8 7.578 -8.775 -5.029 1.00 0.00 C ATOM 68 C LEU A 8 6.561 -8.717 -3.887 1.00 0.00 C ATOM 69 O LEU A 8 5.360 -8.596 -4.126 1.00 0.00 O ATOM 70 CB LEU A 8 7.872 -7.413 -5.660 1.00 0.00 C ATOM 71 CG LEU A 8 8.379 -6.328 -4.707 1.00 0.00 C ATOM 72 CD1 LEU A 8 9.610 -5.624 -5.282 1.00 0.00 C ATOM 73 CD2 LEU A 8 7.264 -5.340 -4.360 1.00 0.00 C ATOM 0 H LEU A 8 6.510 -9.307 -6.752 1.00 0.00 H new ATOM 0 HA LEU A 8 8.522 -9.112 -4.600 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.612 -7.552 -6.448 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.961 -7.052 -6.138 1.00 0.00 H new ATOM 0 HG LEU A 8 8.687 -6.806 -3.777 1.00 0.00 H new ATOM 0 HD11 LEU A 8 9.950 -4.858 -4.585 1.00 0.00 H new ATOM 0 HD12 LEU A 8 10.406 -6.352 -5.437 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.352 -5.160 -6.234 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.650 -4.579 -3.682 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.903 -4.864 -5.272 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.443 -5.872 -3.879 1.00 0.00 H new ATOM 85 N GLU A 9 7.080 -8.805 -2.671 1.00 0.00 N ATOM 86 CA GLU A 9 6.232 -8.764 -1.491 1.00 0.00 C ATOM 87 C GLU A 9 6.111 -7.329 -0.974 1.00 0.00 C ATOM 88 O GLU A 9 7.043 -6.537 -1.107 1.00 0.00 O ATOM 89 CB GLU A 9 6.764 -9.697 -0.401 1.00 0.00 C ATOM 90 CG GLU A 9 5.730 -9.886 0.710 1.00 0.00 C ATOM 91 CD GLU A 9 6.213 -10.911 1.739 1.00 0.00 C ATOM 92 OE1 GLU A 9 6.908 -11.859 1.313 1.00 0.00 O ATOM 93 OE2 GLU A 9 5.877 -10.723 2.928 1.00 0.00 O ATOM 0 H GLU A 9 8.076 -8.904 -2.477 1.00 0.00 H new ATOM 0 HA GLU A 9 5.238 -9.114 -1.769 1.00 0.00 H new ATOM 0 HB2 GLU A 9 7.017 -10.664 -0.836 1.00 0.00 H new ATOM 0 HB3 GLU A 9 7.683 -9.286 0.018 1.00 0.00 H new ATOM 0 HG2 GLU A 9 5.541 -8.932 1.202 1.00 0.00 H new ATOM 0 HG3 GLU A 9 4.784 -10.215 0.280 1.00 0.00 H new ATOM 100 N VAL A 10 4.955 -7.038 -0.396 1.00 0.00 N ATOM 101 CA VAL A 10 4.701 -5.712 0.141 1.00 0.00 C ATOM 102 C VAL A 10 3.780 -5.828 1.358 1.00 0.00 C ATOM 103 O VAL A 10 2.725 -6.456 1.285 1.00 0.00 O ATOM 104 CB VAL A 10 4.135 -4.804 -0.952 1.00 0.00 C ATOM 105 CG1 VAL A 10 3.906 -3.386 -0.424 1.00 0.00 C ATOM 106 CG2 VAL A 10 5.046 -4.791 -2.181 1.00 0.00 C ATOM 0 H VAL A 10 4.184 -7.697 -0.288 1.00 0.00 H new ATOM 0 HA VAL A 10 5.630 -5.252 0.478 1.00 0.00 H new ATOM 0 HB VAL A 10 3.169 -5.208 -1.255 1.00 0.00 H new ATOM 0 HG11 VAL A 10 3.503 -2.761 -1.221 1.00 0.00 H new ATOM 0 HG12 VAL A 10 3.199 -3.416 0.405 1.00 0.00 H new ATOM 0 HG13 VAL A 10 4.852 -2.969 -0.079 1.00 0.00 H new ATOM 0 HG21 VAL A 10 4.620 -4.138 -2.943 1.00 0.00 H new ATOM 0 HG22 VAL A 10 6.033 -4.424 -1.899 1.00 0.00 H new ATOM 0 HG23 VAL A 10 5.135 -5.802 -2.579 1.00 0.00 H new ATOM 116 N LEU A 11 4.214 -5.213 2.449 1.00 0.00 N ATOM 117 CA LEU A 11 3.442 -5.239 3.679 1.00 0.00 C ATOM 118 C LEU A 11 2.697 -3.912 3.838 1.00 0.00 C ATOM 119 O LEU A 11 2.956 -2.959 3.104 1.00 0.00 O ATOM 120 CB LEU A 11 4.341 -5.586 4.868 1.00 0.00 C ATOM 121 CG LEU A 11 4.852 -7.026 4.925 1.00 0.00 C ATOM 122 CD1 LEU A 11 5.820 -7.310 3.775 1.00 0.00 C ATOM 123 CD2 LEU A 11 5.475 -7.334 6.288 1.00 0.00 C ATOM 0 H LEU A 11 5.090 -4.694 2.506 1.00 0.00 H new ATOM 0 HA LEU A 11 2.688 -6.025 3.638 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.201 -4.917 4.855 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.791 -5.380 5.786 1.00 0.00 H new ATOM 0 HG LEU A 11 4.001 -7.695 4.802 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.169 -8.341 3.839 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.310 -7.158 2.824 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.672 -6.634 3.842 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.830 -8.364 6.301 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.312 -6.659 6.466 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.727 -7.198 7.069 1.00 0.00 H new ATOM 135 N VAL A 12 1.787 -3.892 4.801 1.00 0.00 N ATOM 136 CA VAL A 12 1.004 -2.697 5.065 1.00 0.00 C ATOM 137 C VAL A 12 0.577 -2.687 6.534 1.00 0.00 C ATOM 138 O VAL A 12 -0.151 -3.572 6.979 1.00 0.00 O ATOM 139 CB VAL A 12 -0.180 -2.624 4.098 1.00 0.00 C ATOM 140 CG1 VAL A 12 -1.100 -1.451 4.446 1.00 0.00 C ATOM 141 CG2 VAL A 12 0.300 -2.533 2.648 1.00 0.00 C ATOM 0 H VAL A 12 1.575 -4.684 5.408 1.00 0.00 H new ATOM 0 HA VAL A 12 1.602 -1.802 4.894 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.755 -3.544 4.203 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.933 -1.421 3.744 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.483 -1.577 5.459 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.540 -0.518 4.384 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.561 -2.482 1.982 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.909 -1.638 2.522 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.895 -3.414 2.406 1.00 0.00 H new ATOM 151 N LYS A 13 1.050 -1.675 7.247 1.00 0.00 N ATOM 152 CA LYS A 13 0.726 -1.537 8.657 1.00 0.00 C ATOM 153 C LYS A 13 -0.266 -0.387 8.838 1.00 0.00 C ATOM 154 O LYS A 13 0.108 0.781 8.741 1.00 0.00 O ATOM 155 CB LYS A 13 2.003 -1.385 9.487 1.00 0.00 C ATOM 156 CG LYS A 13 1.675 -0.996 10.930 1.00 0.00 C ATOM 157 CD LYS A 13 2.911 -1.118 11.824 1.00 0.00 C ATOM 158 CE LYS A 13 2.582 -0.732 13.268 1.00 0.00 C ATOM 159 NZ LYS A 13 3.072 0.633 13.564 1.00 0.00 N ATOM 0 H LYS A 13 1.655 -0.943 6.875 1.00 0.00 H new ATOM 0 HA LYS A 13 0.238 -2.439 9.026 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.561 -2.321 9.477 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.644 -0.626 9.039 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.300 0.027 10.959 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.881 -1.637 11.312 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.287 -2.141 11.794 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.705 -0.475 11.443 1.00 0.00 H new ATOM 0 HE2 LYS A 13 1.505 -0.781 13.427 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.038 -1.445 13.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 2.841 0.879 14.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.103 0.668 13.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.617 1.312 12.921 1.00 0.00 H new ATOM 173 N THR A 14 -1.511 -0.757 9.099 1.00 0.00 N ATOM 174 CA THR A 14 -2.559 0.230 9.295 1.00 0.00 C ATOM 175 C THR A 14 -2.398 0.916 10.653 1.00 0.00 C ATOM 176 O THR A 14 -1.347 0.815 11.283 1.00 0.00 O ATOM 177 CB THR A 14 -3.908 -0.473 9.126 1.00 0.00 C ATOM 178 OG1 THR A 14 -3.841 -1.575 10.027 1.00 0.00 O ATOM 179 CG2 THR A 14 -4.059 -1.126 7.750 1.00 0.00 C ATOM 0 H THR A 14 -1.818 -1.727 9.179 1.00 0.00 H new ATOM 0 HA THR A 14 -2.496 1.027 8.554 1.00 0.00 H new ATOM 0 HB THR A 14 -4.713 0.246 9.278 1.00 0.00 H new ATOM 0 HG1 THR A 14 -4.677 -2.085 9.983 1.00 0.00 H new ATOM 0 HG21 THR A 14 -5.033 -1.611 7.682 1.00 0.00 H new ATOM 0 HG22 THR A 14 -3.978 -0.364 6.975 1.00 0.00 H new ATOM 0 HG23 THR A 14 -3.274 -1.869 7.612 1.00 0.00 H new ATOM 187 N LEU A 15 -3.456 1.600 11.064 1.00 0.00 N ATOM 188 CA LEU A 15 -3.446 2.304 12.335 1.00 0.00 C ATOM 189 C LEU A 15 -4.096 1.424 13.405 1.00 0.00 C ATOM 190 O LEU A 15 -5.047 1.842 14.063 1.00 0.00 O ATOM 191 CB LEU A 15 -4.097 3.680 12.191 1.00 0.00 C ATOM 192 CG LEU A 15 -3.485 4.606 11.138 1.00 0.00 C ATOM 193 CD1 LEU A 15 -4.505 4.949 10.050 1.00 0.00 C ATOM 194 CD2 LEU A 15 -2.894 5.859 11.785 1.00 0.00 C ATOM 0 H LEU A 15 -4.326 1.682 10.539 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.422 2.495 12.657 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.151 3.538 11.952 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.054 4.183 13.157 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.664 4.077 10.655 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.044 5.608 9.314 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.836 4.033 9.560 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -5.362 5.450 10.500 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.466 6.499 11.014 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.679 6.401 12.312 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.115 5.571 12.491 1.00 0.00 H new ATOM 206 N ASP A 16 -3.557 0.222 13.545 1.00 0.00 N ATOM 207 CA ASP A 16 -4.072 -0.720 14.524 1.00 0.00 C ATOM 208 C ASP A 16 -3.166 -1.952 14.567 1.00 0.00 C ATOM 209 O ASP A 16 -3.642 -3.071 14.749 1.00 0.00 O ATOM 210 CB ASP A 16 -5.483 -1.183 14.152 1.00 0.00 C ATOM 211 CG ASP A 16 -6.439 -1.353 15.334 1.00 0.00 C ATOM 212 OD1 ASP A 16 -5.926 -1.509 16.463 1.00 0.00 O ATOM 213 OD2 ASP A 16 -7.663 -1.323 15.082 1.00 0.00 O ATOM 0 H ASP A 16 -2.768 -0.121 12.997 1.00 0.00 H new ATOM 0 HA ASP A 16 -4.099 -0.220 15.492 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -5.914 -0.463 13.456 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -5.410 -2.133 13.623 1.00 0.00 H new ATOM 218 N SER A 17 -1.876 -1.704 14.395 1.00 0.00 N ATOM 219 CA SER A 17 -0.899 -2.779 14.412 1.00 0.00 C ATOM 220 C SER A 17 -1.452 -4.000 13.675 1.00 0.00 C ATOM 221 O SER A 17 -1.811 -4.997 14.300 1.00 0.00 O ATOM 222 CB SER A 17 -0.515 -3.153 15.845 1.00 0.00 C ATOM 223 OG SER A 17 -1.641 -3.586 16.603 1.00 0.00 O ATOM 0 H SER A 17 -1.485 -0.774 14.243 1.00 0.00 H new ATOM 0 HA SER A 17 0.000 -2.431 13.903 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.235 -3.944 15.825 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.058 -2.293 16.334 1.00 0.00 H new ATOM 0 HG SER A 17 -2.213 -4.153 16.044 1.00 0.00 H new ATOM 229 N GLN A 18 -1.502 -3.883 12.356 1.00 0.00 N ATOM 230 CA GLN A 18 -2.005 -4.965 11.527 1.00 0.00 C ATOM 231 C GLN A 18 -1.230 -5.029 10.210 1.00 0.00 C ATOM 232 O GLN A 18 -1.667 -4.477 9.201 1.00 0.00 O ATOM 233 CB GLN A 18 -3.506 -4.810 11.274 1.00 0.00 C ATOM 234 CG GLN A 18 -4.320 -5.391 12.432 1.00 0.00 C ATOM 235 CD GLN A 18 -5.585 -6.083 11.919 1.00 0.00 C ATOM 236 OE1 GLN A 18 -5.537 -7.086 11.226 1.00 0.00 O ATOM 237 NE2 GLN A 18 -6.716 -5.493 12.297 1.00 0.00 N ATOM 0 H GLN A 18 -1.202 -3.055 11.841 1.00 0.00 H new ATOM 0 HA GLN A 18 -1.855 -5.904 12.059 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -3.750 -3.755 11.146 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.776 -5.314 10.346 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.711 -6.104 12.988 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.592 -4.595 13.125 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -6.685 -4.655 12.878 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -7.614 -5.879 12.006 1.00 0.00 H new ATOM 246 N THR A 19 -0.093 -5.707 10.261 1.00 0.00 N ATOM 247 CA THR A 19 0.747 -5.850 9.084 1.00 0.00 C ATOM 248 C THR A 19 0.248 -7.002 8.209 1.00 0.00 C ATOM 249 O THR A 19 0.095 -8.126 8.685 1.00 0.00 O ATOM 250 CB THR A 19 2.192 -6.025 9.553 1.00 0.00 C ATOM 251 OG1 THR A 19 2.317 -5.115 10.642 1.00 0.00 O ATOM 252 CG2 THR A 19 3.207 -5.518 8.525 1.00 0.00 C ATOM 0 H THR A 19 0.266 -6.164 11.099 1.00 0.00 H new ATOM 0 HA THR A 19 0.700 -4.962 8.454 1.00 0.00 H new ATOM 0 HB THR A 19 2.381 -7.078 9.761 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.225 -5.165 11.007 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.217 -5.666 8.907 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.088 -6.070 7.593 1.00 0.00 H new ATOM 0 HG23 THR A 19 3.040 -4.457 8.342 1.00 0.00 H new ATOM 260 N ARG A 20 0.008 -6.683 6.946 1.00 0.00 N ATOM 261 CA ARG A 20 -0.471 -7.677 6.001 1.00 0.00 C ATOM 262 C ARG A 20 0.480 -7.775 4.806 1.00 0.00 C ATOM 263 O ARG A 20 0.706 -6.789 4.106 1.00 0.00 O ATOM 264 CB ARG A 20 -1.874 -7.331 5.500 1.00 0.00 C ATOM 265 CG ARG A 20 -2.937 -7.726 6.528 1.00 0.00 C ATOM 266 CD ARG A 20 -4.165 -6.820 6.422 1.00 0.00 C ATOM 267 NE ARG A 20 -4.987 -6.938 7.647 1.00 0.00 N ATOM 268 CZ ARG A 20 -5.778 -7.983 7.924 1.00 0.00 C ATOM 269 NH1 ARG A 20 -5.860 -9.007 7.064 1.00 0.00 N ATOM 270 NH2 ARG A 20 -6.488 -8.004 9.060 1.00 0.00 N ATOM 0 H ARG A 20 0.136 -5.750 6.555 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.509 -8.635 6.519 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.938 -6.262 5.298 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.065 -7.846 4.558 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.232 -8.764 6.371 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.519 -7.661 7.532 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -3.853 -5.785 6.282 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.757 -7.096 5.549 1.00 0.00 H new ATOM 0 HE ARG A 20 -4.949 -6.175 8.323 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.320 -8.991 6.199 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.462 -9.803 7.275 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.426 -7.224 9.714 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.090 -8.800 9.270 1.00 0.00 H new ATOM 284 N THR A 21 1.011 -8.973 4.610 1.00 0.00 N ATOM 285 CA THR A 21 1.932 -9.212 3.512 1.00 0.00 C ATOM 286 C THR A 21 1.165 -9.385 2.199 1.00 0.00 C ATOM 287 O THR A 21 0.130 -10.048 2.165 1.00 0.00 O ATOM 288 CB THR A 21 2.796 -10.421 3.874 1.00 0.00 C ATOM 289 OG1 THR A 21 4.002 -9.849 4.375 1.00 0.00 O ATOM 290 CG2 THR A 21 3.243 -11.212 2.643 1.00 0.00 C ATOM 0 H THR A 21 0.821 -9.788 5.193 1.00 0.00 H new ATOM 0 HA THR A 21 2.591 -8.358 3.357 1.00 0.00 H new ATOM 0 HB THR A 21 2.239 -11.076 4.544 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.761 -10.418 4.128 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.853 -12.059 2.957 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.367 -11.575 2.106 1.00 0.00 H new ATOM 0 HG23 THR A 21 3.828 -10.566 1.988 1.00 0.00 H new ATOM 298 N PHE A 22 1.702 -8.777 1.152 1.00 0.00 N ATOM 299 CA PHE A 22 1.081 -8.855 -0.159 1.00 0.00 C ATOM 300 C PHE A 22 2.118 -9.171 -1.239 1.00 0.00 C ATOM 301 O PHE A 22 3.206 -8.598 -1.246 1.00 0.00 O ATOM 302 CB PHE A 22 0.465 -7.484 -0.445 1.00 0.00 C ATOM 303 CG PHE A 22 -0.748 -7.153 0.427 1.00 0.00 C ATOM 304 CD1 PHE A 22 -1.900 -7.862 0.288 1.00 0.00 C ATOM 305 CD2 PHE A 22 -0.673 -6.149 1.342 1.00 0.00 C ATOM 306 CE1 PHE A 22 -3.025 -7.554 1.097 1.00 0.00 C ATOM 307 CE2 PHE A 22 -1.799 -5.841 2.151 1.00 0.00 C ATOM 308 CZ PHE A 22 -2.951 -6.550 2.012 1.00 0.00 C ATOM 0 H PHE A 22 2.561 -8.228 1.185 1.00 0.00 H new ATOM 0 HA PHE A 22 0.332 -9.647 -0.169 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.226 -6.717 -0.298 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.169 -7.442 -1.493 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -1.959 -8.659 -0.438 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.242 -5.587 1.453 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -3.940 -8.117 0.986 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.740 -5.043 2.877 1.00 0.00 H new ATOM 0 HZ PHE A 22 -3.807 -6.316 2.628 1.00 0.00 H new ATOM 318 N ILE A 23 1.743 -10.082 -2.126 1.00 0.00 N ATOM 319 CA ILE A 23 2.627 -10.480 -3.208 1.00 0.00 C ATOM 320 C ILE A 23 2.067 -9.963 -4.535 1.00 0.00 C ATOM 321 O ILE A 23 1.101 -10.514 -5.061 1.00 0.00 O ATOM 322 CB ILE A 23 2.855 -11.993 -3.184 1.00 0.00 C ATOM 323 CG1 ILE A 23 3.450 -12.437 -1.846 1.00 0.00 C ATOM 324 CG2 ILE A 23 3.714 -12.437 -4.369 1.00 0.00 C ATOM 325 CD1 ILE A 23 4.977 -12.342 -1.867 1.00 0.00 C ATOM 0 H ILE A 23 0.839 -10.555 -2.117 1.00 0.00 H new ATOM 0 HA ILE A 23 3.612 -10.030 -3.081 1.00 0.00 H new ATOM 0 HB ILE A 23 1.888 -12.486 -3.285 1.00 0.00 H new ATOM 0 HG12 ILE A 23 3.054 -11.815 -1.043 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.149 -13.462 -1.632 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.861 -13.516 -4.328 1.00 0.00 H new ATOM 0 HG22 ILE A 23 3.213 -12.174 -5.300 1.00 0.00 H new ATOM 0 HG23 ILE A 23 4.682 -11.937 -4.324 1.00 0.00 H new ATOM 0 HD11 ILE A 23 5.375 -12.663 -0.904 1.00 0.00 H new ATOM 0 HD12 ILE A 23 5.371 -12.984 -2.655 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.275 -11.311 -2.057 1.00 0.00 H new ATOM 337 N VAL A 24 2.697 -8.911 -5.036 1.00 0.00 N ATOM 338 CA VAL A 24 2.273 -8.314 -6.291 1.00 0.00 C ATOM 339 C VAL A 24 3.478 -8.194 -7.227 1.00 0.00 C ATOM 340 O VAL A 24 4.622 -8.285 -6.785 1.00 0.00 O ATOM 341 CB VAL A 24 1.586 -6.973 -6.027 1.00 0.00 C ATOM 342 CG1 VAL A 24 0.305 -7.164 -5.213 1.00 0.00 C ATOM 343 CG2 VAL A 24 2.537 -5.997 -5.332 1.00 0.00 C ATOM 0 H VAL A 24 3.497 -8.457 -4.596 1.00 0.00 H new ATOM 0 HA VAL A 24 1.538 -8.949 -6.786 1.00 0.00 H new ATOM 0 HB VAL A 24 1.310 -6.543 -6.990 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.164 -6.195 -5.039 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.383 -7.807 -5.763 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.547 -7.626 -4.256 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.024 -5.052 -5.156 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.858 -6.418 -4.379 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.408 -5.825 -5.965 1.00 0.00 H new ATOM 353 N GLY A 25 3.179 -7.993 -8.502 1.00 0.00 N ATOM 354 CA GLY A 25 4.224 -7.860 -9.503 1.00 0.00 C ATOM 355 C GLY A 25 5.104 -6.641 -9.218 1.00 0.00 C ATOM 356 O GLY A 25 4.598 -5.562 -8.914 1.00 0.00 O ATOM 0 H GLY A 25 2.229 -7.919 -8.865 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.837 -8.761 -9.515 1.00 0.00 H new ATOM 0 HA3 GLY A 25 3.775 -7.766 -10.492 1.00 0.00 H new ATOM 360 N ALA A 26 6.408 -6.854 -9.327 1.00 0.00 N ATOM 361 CA ALA A 26 7.363 -5.787 -9.085 1.00 0.00 C ATOM 362 C ALA A 26 7.125 -4.657 -10.089 1.00 0.00 C ATOM 363 O ALA A 26 7.608 -3.542 -9.901 1.00 0.00 O ATOM 364 CB ALA A 26 8.785 -6.346 -9.164 1.00 0.00 C ATOM 0 H ALA A 26 6.825 -7.750 -9.580 1.00 0.00 H new ATOM 0 HA ALA A 26 7.230 -5.374 -8.085 1.00 0.00 H new ATOM 0 HB1 ALA A 26 9.501 -5.545 -8.982 1.00 0.00 H new ATOM 0 HB2 ALA A 26 8.912 -7.124 -8.412 1.00 0.00 H new ATOM 0 HB3 ALA A 26 8.956 -6.768 -10.155 1.00 0.00 H new ATOM 370 N GLN A 27 6.381 -4.986 -11.135 1.00 0.00 N ATOM 371 CA GLN A 27 6.073 -4.013 -12.170 1.00 0.00 C ATOM 372 C GLN A 27 4.840 -3.195 -11.779 1.00 0.00 C ATOM 373 O GLN A 27 4.676 -2.061 -12.226 1.00 0.00 O ATOM 374 CB GLN A 27 5.870 -4.697 -13.523 1.00 0.00 C ATOM 375 CG GLN A 27 7.111 -5.498 -13.923 1.00 0.00 C ATOM 376 CD GLN A 27 6.744 -6.944 -14.264 1.00 0.00 C ATOM 377 OE1 GLN A 27 6.091 -7.229 -15.254 1.00 0.00 O ATOM 378 NE2 GLN A 27 7.199 -7.838 -13.390 1.00 0.00 N ATOM 0 H GLN A 27 5.983 -5.912 -11.288 1.00 0.00 H new ATOM 0 HA GLN A 27 6.920 -3.334 -12.267 1.00 0.00 H new ATOM 0 HB2 GLN A 27 5.005 -5.359 -13.474 1.00 0.00 H new ATOM 0 HB3 GLN A 27 5.655 -3.948 -14.285 1.00 0.00 H new ATOM 0 HG2 GLN A 27 7.590 -5.028 -14.782 1.00 0.00 H new ATOM 0 HG3 GLN A 27 7.835 -5.485 -13.108 1.00 0.00 H new ATOM 0 HE21 GLN A 27 7.740 -7.531 -12.582 1.00 0.00 H new ATOM 0 HE22 GLN A 27 7.007 -8.830 -13.528 1.00 0.00 H new ATOM 387 N MET A 28 4.004 -3.803 -10.949 1.00 0.00 N ATOM 388 CA MET A 28 2.792 -3.146 -10.494 1.00 0.00 C ATOM 389 C MET A 28 3.101 -1.761 -9.921 1.00 0.00 C ATOM 390 O MET A 28 4.109 -1.578 -9.241 1.00 0.00 O ATOM 391 CB MET A 28 2.118 -4.004 -9.421 1.00 0.00 C ATOM 392 CG MET A 28 0.832 -3.343 -8.918 1.00 0.00 C ATOM 393 SD MET A 28 0.068 -4.366 -7.670 1.00 0.00 S ATOM 394 CE MET A 28 -0.862 -5.480 -8.709 1.00 0.00 C ATOM 0 H MET A 28 4.143 -4.744 -10.580 1.00 0.00 H new ATOM 0 HA MET A 28 2.125 -3.025 -11.347 1.00 0.00 H new ATOM 0 HB2 MET A 28 1.890 -4.989 -9.828 1.00 0.00 H new ATOM 0 HB3 MET A 28 2.804 -4.155 -8.587 1.00 0.00 H new ATOM 0 HG2 MET A 28 1.056 -2.359 -8.506 1.00 0.00 H new ATOM 0 HG3 MET A 28 0.142 -3.192 -9.748 1.00 0.00 H new ATOM 0 HE1 MET A 28 -0.924 -6.457 -8.230 1.00 0.00 H new ATOM 0 HE2 MET A 28 -1.867 -5.084 -8.859 1.00 0.00 H new ATOM 0 HE3 MET A 28 -0.364 -5.580 -9.673 1.00 0.00 H new ATOM 404 N ASN A 29 2.214 -0.822 -10.216 1.00 0.00 N ATOM 405 CA ASN A 29 2.379 0.540 -9.739 1.00 0.00 C ATOM 406 C ASN A 29 1.710 0.681 -8.370 1.00 0.00 C ATOM 407 O ASN A 29 0.980 -0.209 -7.937 1.00 0.00 O ATOM 408 CB ASN A 29 1.722 1.541 -10.691 1.00 0.00 C ATOM 409 CG ASN A 29 0.348 1.045 -11.145 1.00 0.00 C ATOM 410 OD1 ASN A 29 0.142 -0.124 -11.425 1.00 0.00 O ATOM 411 ND2 ASN A 29 -0.579 1.998 -11.203 1.00 0.00 N ATOM 0 H ASN A 29 1.378 -0.978 -10.780 1.00 0.00 H new ATOM 0 HA ASN A 29 3.447 0.748 -9.678 1.00 0.00 H new ATOM 0 HB2 ASN A 29 1.619 2.506 -10.195 1.00 0.00 H new ATOM 0 HB3 ASN A 29 2.362 1.696 -11.560 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -1.529 1.768 -11.496 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -0.340 2.958 -10.955 1.00 0.00 H new ATOM 418 N VAL A 30 1.983 1.807 -7.727 1.00 0.00 N ATOM 419 CA VAL A 30 1.416 2.076 -6.416 1.00 0.00 C ATOM 420 C VAL A 30 -0.109 1.985 -6.496 1.00 0.00 C ATOM 421 O VAL A 30 -0.733 1.269 -5.715 1.00 0.00 O ATOM 422 CB VAL A 30 1.909 3.430 -5.901 1.00 0.00 C ATOM 423 CG1 VAL A 30 1.055 3.914 -4.727 1.00 0.00 C ATOM 424 CG2 VAL A 30 3.387 3.365 -5.514 1.00 0.00 C ATOM 0 H VAL A 30 2.589 2.543 -8.089 1.00 0.00 H new ATOM 0 HA VAL A 30 1.748 1.329 -5.695 1.00 0.00 H new ATOM 0 HB VAL A 30 1.807 4.153 -6.710 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.427 4.878 -4.380 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.019 4.019 -5.050 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.110 3.190 -3.914 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.711 4.340 -5.151 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.525 2.622 -4.729 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.979 3.086 -6.386 1.00 0.00 H new ATOM 434 N LYS A 31 -0.665 2.722 -7.447 1.00 0.00 N ATOM 435 CA LYS A 31 -2.105 2.733 -7.639 1.00 0.00 C ATOM 436 C LYS A 31 -2.625 1.295 -7.649 1.00 0.00 C ATOM 437 O LYS A 31 -3.338 0.882 -6.735 1.00 0.00 O ATOM 438 CB LYS A 31 -2.472 3.528 -8.894 1.00 0.00 C ATOM 439 CG LYS A 31 -3.902 3.219 -9.340 1.00 0.00 C ATOM 440 CD LYS A 31 -4.638 4.498 -9.746 1.00 0.00 C ATOM 441 CE LYS A 31 -4.732 4.616 -11.268 1.00 0.00 C ATOM 442 NZ LYS A 31 -5.203 5.965 -11.655 1.00 0.00 N ATOM 0 H LYS A 31 -0.144 3.316 -8.093 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.596 3.244 -6.811 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.372 4.595 -8.695 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.776 3.287 -9.698 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.883 2.524 -10.180 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.441 2.726 -8.531 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.639 4.498 -9.315 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.117 5.366 -9.342 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.757 4.423 -11.715 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.415 3.861 -11.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.261 6.028 -12.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.143 6.136 -11.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.536 6.680 -11.301 1.00 0.00 H new ATOM 456 N GLU A 32 -2.249 0.570 -8.692 1.00 0.00 N ATOM 457 CA GLU A 32 -2.668 -0.814 -8.832 1.00 0.00 C ATOM 458 C GLU A 32 -2.663 -1.512 -7.470 1.00 0.00 C ATOM 459 O GLU A 32 -3.692 -2.014 -7.022 1.00 0.00 O ATOM 460 CB GLU A 32 -1.781 -1.558 -9.833 1.00 0.00 C ATOM 461 CG GLU A 32 -2.277 -1.350 -11.265 1.00 0.00 C ATOM 462 CD GLU A 32 -1.635 -2.360 -12.219 1.00 0.00 C ATOM 463 OE1 GLU A 32 -0.426 -2.195 -12.491 1.00 0.00 O ATOM 464 OE2 GLU A 32 -2.368 -3.274 -12.655 1.00 0.00 O ATOM 0 H GLU A 32 -1.658 0.915 -9.449 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.686 -0.826 -9.220 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.753 -1.206 -9.746 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.774 -2.622 -9.598 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.362 -1.453 -11.297 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.043 -0.337 -11.591 1.00 0.00 H new ATOM 471 N PHE A 33 -1.492 -1.520 -6.851 1.00 0.00 N ATOM 472 CA PHE A 33 -1.339 -2.147 -5.549 1.00 0.00 C ATOM 473 C PHE A 33 -2.478 -1.746 -4.609 1.00 0.00 C ATOM 474 O PHE A 33 -3.020 -2.585 -3.892 1.00 0.00 O ATOM 475 CB PHE A 33 -0.014 -1.651 -4.966 1.00 0.00 C ATOM 476 CG PHE A 33 0.430 -2.396 -3.706 1.00 0.00 C ATOM 477 CD1 PHE A 33 0.710 -3.725 -3.765 1.00 0.00 C ATOM 478 CD2 PHE A 33 0.543 -1.729 -2.526 1.00 0.00 C ATOM 479 CE1 PHE A 33 1.121 -4.417 -2.595 1.00 0.00 C ATOM 480 CE2 PHE A 33 0.955 -2.420 -1.356 1.00 0.00 C ATOM 481 CZ PHE A 33 1.235 -3.750 -1.415 1.00 0.00 C ATOM 0 H PHE A 33 -0.640 -1.103 -7.226 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.356 -3.232 -5.655 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.763 -1.746 -5.725 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.105 -0.590 -4.735 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.620 -4.255 -4.702 1.00 0.00 H new ATOM 0 HD2 PHE A 33 0.319 -0.673 -2.479 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.343 -5.473 -2.642 1.00 0.00 H new ATOM 0 HE2 PHE A 33 1.046 -1.890 -0.419 1.00 0.00 H new ATOM 0 HZ PHE A 33 1.548 -4.276 -0.525 1.00 0.00 H new ATOM 491 N LYS A 34 -2.807 -0.463 -4.644 1.00 0.00 N ATOM 492 CA LYS A 34 -3.871 0.059 -3.805 1.00 0.00 C ATOM 493 C LYS A 34 -5.193 -0.609 -4.190 1.00 0.00 C ATOM 494 O LYS A 34 -5.990 -0.961 -3.322 1.00 0.00 O ATOM 495 CB LYS A 34 -3.911 1.587 -3.878 1.00 0.00 C ATOM 496 CG LYS A 34 -2.636 2.197 -3.291 1.00 0.00 C ATOM 497 CD LYS A 34 -2.857 3.660 -2.902 1.00 0.00 C ATOM 498 CE LYS A 34 -1.772 4.557 -3.500 1.00 0.00 C ATOM 499 NZ LYS A 34 -1.959 5.959 -3.065 1.00 0.00 N ATOM 0 H LYS A 34 -2.355 0.230 -5.240 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.683 -0.183 -2.759 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.025 1.902 -4.915 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.780 1.958 -3.334 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.326 1.627 -2.415 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -1.827 2.129 -4.019 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -3.837 3.988 -3.249 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -2.855 3.755 -1.816 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.788 4.203 -3.191 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.804 4.500 -4.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.847 6.594 -3.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.912 6.074 -2.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.250 6.196 -2.342 1.00 0.00 H new ATOM 513 N GLU A 35 -5.384 -0.763 -5.492 1.00 0.00 N ATOM 514 CA GLU A 35 -6.595 -1.383 -6.002 1.00 0.00 C ATOM 515 C GLU A 35 -6.603 -2.878 -5.679 1.00 0.00 C ATOM 516 O GLU A 35 -7.662 -3.464 -5.459 1.00 0.00 O ATOM 517 CB GLU A 35 -6.740 -1.146 -7.507 1.00 0.00 C ATOM 518 CG GLU A 35 -6.766 0.350 -7.826 1.00 0.00 C ATOM 519 CD GLU A 35 -7.395 0.607 -9.197 1.00 0.00 C ATOM 520 OE1 GLU A 35 -6.729 0.269 -10.199 1.00 0.00 O ATOM 521 OE2 GLU A 35 -8.527 1.137 -9.212 1.00 0.00 O ATOM 0 H GLU A 35 -4.721 -0.469 -6.209 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.451 -0.921 -5.510 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.912 -1.620 -8.035 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.657 -1.614 -7.866 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.330 0.880 -7.058 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.751 0.747 -7.807 1.00 0.00 H new ATOM 528 N HIS A 36 -5.409 -3.453 -5.661 1.00 0.00 N ATOM 529 CA HIS A 36 -5.265 -4.869 -5.368 1.00 0.00 C ATOM 530 C HIS A 36 -5.657 -5.135 -3.914 1.00 0.00 C ATOM 531 O HIS A 36 -6.552 -5.935 -3.644 1.00 0.00 O ATOM 532 CB HIS A 36 -3.852 -5.351 -5.700 1.00 0.00 C ATOM 533 CG HIS A 36 -3.578 -6.778 -5.289 1.00 0.00 C ATOM 534 ND1 HIS A 36 -4.260 -7.857 -5.825 1.00 0.00 N ATOM 535 CD2 HIS A 36 -2.689 -7.293 -4.392 1.00 0.00 C ATOM 536 CE1 HIS A 36 -3.796 -8.965 -5.267 1.00 0.00 C ATOM 537 NE2 HIS A 36 -2.822 -8.613 -4.379 1.00 0.00 N ATOM 0 H HIS A 36 -4.533 -2.964 -5.845 1.00 0.00 H new ATOM 0 HA HIS A 36 -5.940 -5.446 -6.000 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -3.689 -5.255 -6.774 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -3.131 -4.697 -5.209 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -1.994 -6.723 -3.793 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -4.130 -9.970 -5.478 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -2.284 -9.258 -3.800 1.00 0.00 H new ATOM 545 N ILE A 37 -4.968 -4.449 -3.014 1.00 0.00 N ATOM 546 CA ILE A 37 -5.232 -4.601 -1.593 1.00 0.00 C ATOM 547 C ILE A 37 -6.609 -4.016 -1.270 1.00 0.00 C ATOM 548 O ILE A 37 -7.300 -4.503 -0.376 1.00 0.00 O ATOM 549 CB ILE A 37 -4.096 -3.993 -0.769 1.00 0.00 C ATOM 550 CG1 ILE A 37 -4.098 -2.467 -0.875 1.00 0.00 C ATOM 551 CG2 ILE A 37 -2.747 -4.594 -1.167 1.00 0.00 C ATOM 552 CD1 ILE A 37 -3.136 -1.846 0.140 1.00 0.00 C ATOM 0 H ILE A 37 -4.227 -3.786 -3.241 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.262 -5.656 -1.321 1.00 0.00 H new ATOM 0 HB ILE A 37 -4.262 -4.243 0.279 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -3.811 -2.168 -1.883 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -5.106 -2.088 -0.705 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.957 -4.144 -0.566 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.764 -5.671 -0.997 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.558 -4.396 -2.222 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.156 -0.760 0.044 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.440 -2.127 1.148 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -2.125 -2.208 -0.048 1.00 0.00 H new ATOM 564 N ALA A 38 -6.965 -2.980 -2.014 1.00 0.00 N ATOM 565 CA ALA A 38 -8.247 -2.323 -1.817 1.00 0.00 C ATOM 566 C ALA A 38 -9.324 -3.381 -1.567 1.00 0.00 C ATOM 567 O ALA A 38 -10.287 -3.131 -0.843 1.00 0.00 O ATOM 568 CB ALA A 38 -8.562 -1.446 -3.030 1.00 0.00 C ATOM 0 H ALA A 38 -6.389 -2.579 -2.754 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.215 -1.672 -0.943 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -9.523 -0.953 -2.883 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -7.782 -0.693 -3.147 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -8.605 -2.066 -3.926 1.00 0.00 H new ATOM 574 N ALA A 39 -9.124 -4.539 -2.179 1.00 0.00 N ATOM 575 CA ALA A 39 -10.067 -5.635 -2.031 1.00 0.00 C ATOM 576 C ALA A 39 -10.052 -6.123 -0.581 1.00 0.00 C ATOM 577 O ALA A 39 -11.084 -6.124 0.088 1.00 0.00 O ATOM 578 CB ALA A 39 -9.718 -6.746 -3.024 1.00 0.00 C ATOM 0 H ALA A 39 -8.324 -4.742 -2.778 1.00 0.00 H new ATOM 0 HA ALA A 39 -11.080 -5.303 -2.256 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -10.425 -7.568 -2.913 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -9.772 -6.356 -4.040 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -8.708 -7.107 -2.827 1.00 0.00 H new ATOM 584 N SER A 40 -8.869 -6.525 -0.138 1.00 0.00 N ATOM 585 CA SER A 40 -8.706 -7.015 1.220 1.00 0.00 C ATOM 586 C SER A 40 -9.033 -5.903 2.220 1.00 0.00 C ATOM 587 O SER A 40 -9.979 -6.021 2.997 1.00 0.00 O ATOM 588 CB SER A 40 -7.286 -7.535 1.452 1.00 0.00 C ATOM 589 OG SER A 40 -7.135 -8.884 1.018 1.00 0.00 O ATOM 0 H SER A 40 -8.015 -6.521 -0.696 1.00 0.00 H new ATOM 0 HA SER A 40 -9.397 -7.845 1.369 1.00 0.00 H new ATOM 0 HB2 SER A 40 -6.576 -6.901 0.920 1.00 0.00 H new ATOM 0 HB3 SER A 40 -7.043 -7.466 2.512 1.00 0.00 H new ATOM 0 HG SER A 40 -6.215 -9.179 1.181 1.00 0.00 H new ATOM 595 N VAL A 41 -8.233 -4.849 2.166 1.00 0.00 N ATOM 596 CA VAL A 41 -8.425 -3.717 3.057 1.00 0.00 C ATOM 597 C VAL A 41 -9.861 -3.206 2.923 1.00 0.00 C ATOM 598 O VAL A 41 -10.442 -2.713 3.889 1.00 0.00 O ATOM 599 CB VAL A 41 -7.378 -2.640 2.768 1.00 0.00 C ATOM 600 CG1 VAL A 41 -5.984 -3.100 3.201 1.00 0.00 C ATOM 601 CG2 VAL A 41 -7.391 -2.245 1.290 1.00 0.00 C ATOM 0 H VAL A 41 -7.450 -4.755 1.519 1.00 0.00 H new ATOM 0 HA VAL A 41 -8.283 -4.019 4.095 1.00 0.00 H new ATOM 0 HB VAL A 41 -7.636 -1.757 3.353 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.259 -2.316 2.984 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -5.985 -3.308 4.271 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -5.714 -4.005 2.656 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.637 -1.478 1.112 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.171 -3.119 0.678 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -8.374 -1.856 1.026 1.00 0.00 H new ATOM 611 N SER A 42 -10.393 -3.342 1.717 1.00 0.00 N ATOM 612 CA SER A 42 -11.750 -2.900 1.443 1.00 0.00 C ATOM 613 C SER A 42 -11.791 -1.375 1.328 1.00 0.00 C ATOM 614 O SER A 42 -12.840 -0.762 1.519 1.00 0.00 O ATOM 615 CB SER A 42 -12.714 -3.375 2.532 1.00 0.00 C ATOM 616 OG SER A 42 -14.013 -3.648 2.014 1.00 0.00 O ATOM 0 H SER A 42 -9.909 -3.752 0.918 1.00 0.00 H new ATOM 0 HA SER A 42 -12.068 -3.338 0.497 1.00 0.00 H new ATOM 0 HB2 SER A 42 -12.315 -4.274 3.002 1.00 0.00 H new ATOM 0 HB3 SER A 42 -12.786 -2.614 3.309 1.00 0.00 H new ATOM 0 HG SER A 42 -14.598 -3.950 2.740 1.00 0.00 H new ATOM 622 N ILE A 43 -10.636 -0.806 1.015 1.00 0.00 N ATOM 623 CA ILE A 43 -10.526 0.636 0.872 1.00 0.00 C ATOM 624 C ILE A 43 -10.218 0.977 -0.588 1.00 0.00 C ATOM 625 O ILE A 43 -9.456 0.271 -1.246 1.00 0.00 O ATOM 626 CB ILE A 43 -9.505 1.197 1.863 1.00 0.00 C ATOM 627 CG1 ILE A 43 -9.901 0.867 3.304 1.00 0.00 C ATOM 628 CG2 ILE A 43 -9.305 2.699 1.653 1.00 0.00 C ATOM 629 CD1 ILE A 43 -8.859 1.393 4.293 1.00 0.00 C ATOM 0 H ILE A 43 -9.768 -1.318 0.856 1.00 0.00 H new ATOM 0 HA ILE A 43 -11.472 1.117 1.120 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.546 0.715 1.674 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -10.874 1.306 3.527 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -10.004 -0.212 3.419 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.574 3.073 2.370 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -8.945 2.880 0.640 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -10.253 3.216 1.798 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -9.165 1.145 5.310 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -7.893 0.934 4.082 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -8.776 2.475 4.193 1.00 0.00 H new ATOM 641 N PRO A 44 -10.843 2.088 -1.063 1.00 0.00 N ATOM 642 CA PRO A 44 -10.643 2.531 -2.432 1.00 0.00 C ATOM 643 C PRO A 44 -9.271 3.187 -2.601 1.00 0.00 C ATOM 644 O PRO A 44 -8.757 3.808 -1.672 1.00 0.00 O ATOM 645 CB PRO A 44 -11.795 3.483 -2.709 1.00 0.00 C ATOM 646 CG PRO A 44 -12.331 3.897 -1.348 1.00 0.00 C ATOM 647 CD PRO A 44 -11.752 2.948 -0.311 1.00 0.00 C ATOM 0 HA PRO A 44 -10.644 1.707 -3.146 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -11.457 4.350 -3.276 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.569 2.997 -3.302 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -12.049 4.926 -1.124 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.420 3.855 -1.338 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -11.225 3.492 0.473 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -12.536 2.367 0.175 1.00 0.00 H new ATOM 655 N SER A 45 -8.718 3.028 -3.794 1.00 0.00 N ATOM 656 CA SER A 45 -7.416 3.597 -4.097 1.00 0.00 C ATOM 657 C SER A 45 -7.495 5.125 -4.077 1.00 0.00 C ATOM 658 O SER A 45 -6.471 5.802 -4.000 1.00 0.00 O ATOM 659 CB SER A 45 -6.904 3.110 -5.454 1.00 0.00 C ATOM 660 OG SER A 45 -7.696 3.602 -6.532 1.00 0.00 O ATOM 0 H SER A 45 -9.148 2.513 -4.563 1.00 0.00 H new ATOM 0 HA SER A 45 -6.712 3.266 -3.333 1.00 0.00 H new ATOM 0 HB2 SER A 45 -5.871 3.430 -5.588 1.00 0.00 H new ATOM 0 HB3 SER A 45 -6.905 2.020 -5.472 1.00 0.00 H new ATOM 0 HG SER A 45 -7.336 3.270 -7.381 1.00 0.00 H new ATOM 666 N GLU A 46 -8.721 5.623 -4.148 1.00 0.00 N ATOM 667 CA GLU A 46 -8.947 7.058 -4.139 1.00 0.00 C ATOM 668 C GLU A 46 -8.984 7.581 -2.702 1.00 0.00 C ATOM 669 O GLU A 46 -8.938 8.789 -2.475 1.00 0.00 O ATOM 670 CB GLU A 46 -10.234 7.415 -4.886 1.00 0.00 C ATOM 671 CG GLU A 46 -11.415 6.590 -4.368 1.00 0.00 C ATOM 672 CD GLU A 46 -12.730 7.355 -4.529 1.00 0.00 C ATOM 673 OE1 GLU A 46 -12.687 8.596 -4.383 1.00 0.00 O ATOM 674 OE2 GLU A 46 -13.749 6.682 -4.793 1.00 0.00 O ATOM 0 H GLU A 46 -9.568 5.058 -4.212 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.119 7.540 -4.659 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.447 8.477 -4.765 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.101 7.236 -5.953 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -11.470 5.646 -4.911 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -11.259 6.345 -3.317 1.00 0.00 H new ATOM 681 N LYS A 47 -9.068 6.645 -1.768 1.00 0.00 N ATOM 682 CA LYS A 47 -9.111 6.996 -0.358 1.00 0.00 C ATOM 683 C LYS A 47 -7.842 6.488 0.329 1.00 0.00 C ATOM 684 O LYS A 47 -7.636 6.730 1.517 1.00 0.00 O ATOM 685 CB LYS A 47 -10.404 6.485 0.281 1.00 0.00 C ATOM 686 CG LYS A 47 -11.627 7.169 -0.333 1.00 0.00 C ATOM 687 CD LYS A 47 -12.916 6.691 0.339 1.00 0.00 C ATOM 688 CE LYS A 47 -13.286 7.593 1.519 1.00 0.00 C ATOM 689 NZ LYS A 47 -14.341 8.554 1.126 1.00 0.00 N ATOM 0 H LYS A 47 -9.107 5.644 -1.960 1.00 0.00 H new ATOM 0 HA LYS A 47 -9.128 8.079 -0.235 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -10.480 5.406 0.145 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -10.381 6.670 1.355 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -11.536 8.250 -0.226 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -11.669 6.957 -1.401 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -13.729 6.685 -0.388 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -12.791 5.665 0.686 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -13.633 6.985 2.354 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -12.404 8.133 1.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -14.580 9.158 1.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -13.997 9.146 0.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -15.188 8.034 0.820 1.00 0.00 H new ATOM 703 N GLN A 48 -7.024 5.793 -0.448 1.00 0.00 N ATOM 704 CA GLN A 48 -5.781 5.249 0.071 1.00 0.00 C ATOM 705 C GLN A 48 -4.650 6.267 -0.085 1.00 0.00 C ATOM 706 O GLN A 48 -4.765 7.213 -0.862 1.00 0.00 O ATOM 707 CB GLN A 48 -5.430 3.930 -0.620 1.00 0.00 C ATOM 708 CG GLN A 48 -6.236 2.770 -0.031 1.00 0.00 C ATOM 709 CD GLN A 48 -5.646 1.423 -0.450 1.00 0.00 C ATOM 710 OE1 GLN A 48 -4.551 1.048 -0.063 1.00 0.00 O ATOM 711 NE2 GLN A 48 -6.430 0.717 -1.261 1.00 0.00 N ATOM 0 H GLN A 48 -7.198 5.594 -1.433 1.00 0.00 H new ATOM 0 HA GLN A 48 -5.913 5.042 1.133 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -5.630 4.011 -1.688 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -4.364 3.730 -0.509 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -6.245 2.844 1.056 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -7.272 2.836 -0.364 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -7.336 1.090 -1.547 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -6.125 -0.197 -1.597 1.00 0.00 H new ATOM 720 N ARG A 49 -3.584 6.039 0.668 1.00 0.00 N ATOM 721 CA ARG A 49 -2.433 6.925 0.623 1.00 0.00 C ATOM 722 C ARG A 49 -1.206 6.232 1.220 1.00 0.00 C ATOM 723 O ARG A 49 -0.903 6.407 2.400 1.00 0.00 O ATOM 724 CB ARG A 49 -2.704 8.219 1.393 1.00 0.00 C ATOM 725 CG ARG A 49 -1.493 9.152 1.341 1.00 0.00 C ATOM 726 CD ARG A 49 -1.752 10.432 2.139 1.00 0.00 C ATOM 727 NE ARG A 49 -0.981 11.554 1.559 1.00 0.00 N ATOM 728 CZ ARG A 49 -0.622 12.651 2.241 1.00 0.00 C ATOM 729 NH1 ARG A 49 -0.963 12.779 3.531 1.00 0.00 N ATOM 730 NH2 ARG A 49 0.077 13.619 1.634 1.00 0.00 N ATOM 0 H ARG A 49 -3.493 5.254 1.313 1.00 0.00 H new ATOM 0 HA ARG A 49 -2.244 7.170 -0.422 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -3.574 8.722 0.971 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -2.943 7.986 2.430 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.618 8.640 1.742 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -1.268 9.404 0.305 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.816 10.668 2.129 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.468 10.285 3.181 1.00 0.00 H new ATOM 0 HE ARG A 49 -0.705 11.489 0.579 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.495 12.042 3.993 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -0.690 13.613 4.050 1.00 0.00 H new ATOM 0 HH21 ARG A 49 0.336 13.522 0.652 1.00 0.00 H new ATOM 0 HH22 ARG A 49 0.350 14.453 2.153 1.00 0.00 H new ATOM 744 N LEU A 50 -0.534 5.461 0.379 1.00 0.00 N ATOM 745 CA LEU A 50 0.653 4.741 0.809 1.00 0.00 C ATOM 746 C LEU A 50 1.746 5.744 1.181 1.00 0.00 C ATOM 747 O LEU A 50 2.039 6.661 0.415 1.00 0.00 O ATOM 748 CB LEU A 50 1.082 3.731 -0.257 1.00 0.00 C ATOM 749 CG LEU A 50 0.001 2.761 -0.736 1.00 0.00 C ATOM 750 CD1 LEU A 50 0.539 1.836 -1.830 1.00 0.00 C ATOM 751 CD2 LEU A 50 -0.591 1.977 0.436 1.00 0.00 C ATOM 0 H LEU A 50 -0.788 5.319 -0.598 1.00 0.00 H new ATOM 0 HA LEU A 50 0.440 4.155 1.703 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.457 4.281 -1.120 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.915 3.149 0.137 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.809 3.343 -1.176 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.250 1.157 -2.153 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.874 2.432 -2.679 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.377 1.259 -1.439 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.357 1.295 0.067 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.197 1.406 0.927 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.036 2.670 1.150 1.00 0.00 H new ATOM 763 N ILE A 51 2.319 5.538 2.358 1.00 0.00 N ATOM 764 CA ILE A 51 3.373 6.413 2.841 1.00 0.00 C ATOM 765 C ILE A 51 4.497 5.567 3.443 1.00 0.00 C ATOM 766 O ILE A 51 4.252 4.734 4.315 1.00 0.00 O ATOM 767 CB ILE A 51 2.804 7.455 3.805 1.00 0.00 C ATOM 768 CG1 ILE A 51 1.799 8.366 3.097 1.00 0.00 C ATOM 769 CG2 ILE A 51 3.925 8.252 4.476 1.00 0.00 C ATOM 770 CD1 ILE A 51 0.757 8.902 4.081 1.00 0.00 C ATOM 0 H ILE A 51 2.073 4.777 2.991 1.00 0.00 H new ATOM 0 HA ILE A 51 3.806 6.979 2.016 1.00 0.00 H new ATOM 0 HB ILE A 51 2.264 6.931 4.594 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.324 9.198 2.629 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.301 7.814 2.300 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.493 8.986 5.156 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.569 7.574 5.036 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.513 8.765 3.715 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.055 9.547 3.552 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.217 8.068 4.529 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.256 9.474 4.864 1.00 0.00 H new ATOM 782 N TYR A 52 5.704 5.810 2.954 1.00 0.00 N ATOM 783 CA TYR A 52 6.866 5.080 3.434 1.00 0.00 C ATOM 784 C TYR A 52 7.831 6.010 4.172 1.00 0.00 C ATOM 785 O TYR A 52 8.310 6.990 3.604 1.00 0.00 O ATOM 786 CB TYR A 52 7.561 4.529 2.187 1.00 0.00 C ATOM 787 CG TYR A 52 8.880 3.809 2.477 1.00 0.00 C ATOM 788 CD1 TYR A 52 10.064 4.518 2.491 1.00 0.00 C ATOM 789 CD2 TYR A 52 8.885 2.451 2.725 1.00 0.00 C ATOM 790 CE1 TYR A 52 11.305 3.840 2.764 1.00 0.00 C ATOM 791 CE2 TYR A 52 10.126 1.774 2.998 1.00 0.00 C ATOM 792 CZ TYR A 52 11.275 2.502 3.004 1.00 0.00 C ATOM 793 OH TYR A 52 12.447 1.862 3.262 1.00 0.00 O ATOM 0 H TYR A 52 5.903 6.501 2.231 1.00 0.00 H new ATOM 0 HA TYR A 52 6.567 4.295 4.128 1.00 0.00 H new ATOM 0 HB2 TYR A 52 6.885 3.839 1.682 1.00 0.00 H new ATOM 0 HB3 TYR A 52 7.751 5.351 1.497 1.00 0.00 H new ATOM 0 HD1 TYR A 52 10.060 5.580 2.297 1.00 0.00 H new ATOM 0 HD2 TYR A 52 7.958 1.897 2.714 1.00 0.00 H new ATOM 0 HE1 TYR A 52 12.239 4.382 2.778 1.00 0.00 H new ATOM 0 HE2 TYR A 52 10.144 0.712 3.194 1.00 0.00 H new ATOM 0 HH TYR A 52 12.273 0.910 3.416 1.00 0.00 H new ATOM 803 N GLN A 53 8.086 5.670 5.427 1.00 0.00 N ATOM 804 CA GLN A 53 8.985 6.462 6.249 1.00 0.00 C ATOM 805 C GLN A 53 8.360 7.823 6.559 1.00 0.00 C ATOM 806 O GLN A 53 8.077 8.130 7.716 1.00 0.00 O ATOM 807 CB GLN A 53 10.347 6.626 5.570 1.00 0.00 C ATOM 808 CG GLN A 53 11.397 5.725 6.223 1.00 0.00 C ATOM 809 CD GLN A 53 11.624 6.117 7.685 1.00 0.00 C ATOM 810 OE1 GLN A 53 11.712 7.282 8.035 1.00 0.00 O ATOM 811 NE2 GLN A 53 11.713 5.082 8.515 1.00 0.00 N ATOM 0 H GLN A 53 7.686 4.857 5.895 1.00 0.00 H new ATOM 0 HA GLN A 53 9.145 5.935 7.190 1.00 0.00 H new ATOM 0 HB2 GLN A 53 10.261 6.382 4.511 1.00 0.00 H new ATOM 0 HB3 GLN A 53 10.666 7.666 5.633 1.00 0.00 H new ATOM 0 HG2 GLN A 53 11.074 4.685 6.168 1.00 0.00 H new ATOM 0 HG3 GLN A 53 12.336 5.797 5.674 1.00 0.00 H new ATOM 0 HE21 GLN A 53 11.630 4.131 8.155 1.00 0.00 H new ATOM 0 HE22 GLN A 53 11.864 5.239 9.511 1.00 0.00 H new ATOM 820 N GLY A 54 8.163 8.602 5.506 1.00 0.00 N ATOM 821 CA GLY A 54 7.576 9.923 5.652 1.00 0.00 C ATOM 822 C GLY A 54 7.352 10.578 4.287 1.00 0.00 C ATOM 823 O GLY A 54 7.462 11.795 4.153 1.00 0.00 O ATOM 0 H GLY A 54 8.399 8.344 4.548 1.00 0.00 H new ATOM 0 HA2 GLY A 54 6.627 9.846 6.183 1.00 0.00 H new ATOM 0 HA3 GLY A 54 8.230 10.551 6.257 1.00 0.00 H new ATOM 827 N ARG A 55 7.041 9.740 3.309 1.00 0.00 N ATOM 828 CA ARG A 55 6.800 10.221 1.959 1.00 0.00 C ATOM 829 C ARG A 55 5.591 9.509 1.350 1.00 0.00 C ATOM 830 O ARG A 55 5.473 8.288 1.442 1.00 0.00 O ATOM 831 CB ARG A 55 8.022 9.992 1.067 1.00 0.00 C ATOM 832 CG ARG A 55 8.249 8.499 0.821 1.00 0.00 C ATOM 833 CD ARG A 55 9.738 8.190 0.657 1.00 0.00 C ATOM 834 NE ARG A 55 10.037 7.874 -0.757 1.00 0.00 N ATOM 835 CZ ARG A 55 11.215 7.402 -1.188 1.00 0.00 C ATOM 836 NH1 ARG A 55 12.211 7.190 -0.318 1.00 0.00 N ATOM 837 NH2 ARG A 55 11.397 7.143 -2.491 1.00 0.00 N ATOM 0 H ARG A 55 6.950 8.731 3.425 1.00 0.00 H new ATOM 0 HA ARG A 55 6.603 11.291 2.018 1.00 0.00 H new ATOM 0 HB2 ARG A 55 7.883 10.504 0.115 1.00 0.00 H new ATOM 0 HB3 ARG A 55 8.905 10.425 1.536 1.00 0.00 H new ATOM 0 HG2 ARG A 55 7.844 7.924 1.654 1.00 0.00 H new ATOM 0 HG3 ARG A 55 7.709 8.188 -0.073 1.00 0.00 H new ATOM 0 HD2 ARG A 55 10.333 9.044 0.981 1.00 0.00 H new ATOM 0 HD3 ARG A 55 10.015 7.349 1.293 1.00 0.00 H new ATOM 0 HE ARG A 55 9.301 8.025 -1.447 1.00 0.00 H new ATOM 0 HH11 ARG A 55 12.073 7.388 0.673 1.00 0.00 H new ATOM 0 HH12 ARG A 55 13.107 6.831 -0.647 1.00 0.00 H new ATOM 0 HH21 ARG A 55 10.639 7.305 -3.154 1.00 0.00 H new ATOM 0 HH22 ARG A 55 12.293 6.784 -2.819 1.00 0.00 H new ATOM 851 N VAL A 56 4.723 10.303 0.740 1.00 0.00 N ATOM 852 CA VAL A 56 3.527 9.764 0.115 1.00 0.00 C ATOM 853 C VAL A 56 3.905 9.095 -1.208 1.00 0.00 C ATOM 854 O VAL A 56 4.296 9.769 -2.159 1.00 0.00 O ATOM 855 CB VAL A 56 2.480 10.868 -0.051 1.00 0.00 C ATOM 856 CG1 VAL A 56 2.891 11.852 -1.148 1.00 0.00 C ATOM 857 CG2 VAL A 56 1.098 10.276 -0.335 1.00 0.00 C ATOM 0 H VAL A 56 4.824 11.315 0.665 1.00 0.00 H new ATOM 0 HA VAL A 56 3.077 9.000 0.749 1.00 0.00 H new ATOM 0 HB VAL A 56 2.421 11.418 0.888 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.130 12.626 -1.246 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.844 12.311 -0.887 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.992 11.321 -2.094 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.373 11.082 -0.449 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.135 9.689 -1.253 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.800 9.634 0.494 1.00 0.00 H new ATOM 867 N LEU A 57 3.774 7.777 -1.225 1.00 0.00 N ATOM 868 CA LEU A 57 4.098 7.009 -2.416 1.00 0.00 C ATOM 869 C LEU A 57 3.187 7.448 -3.564 1.00 0.00 C ATOM 870 O LEU A 57 1.964 7.369 -3.456 1.00 0.00 O ATOM 871 CB LEU A 57 4.034 5.509 -2.120 1.00 0.00 C ATOM 872 CG LEU A 57 4.822 5.032 -0.898 1.00 0.00 C ATOM 873 CD1 LEU A 57 4.203 3.765 -0.306 1.00 0.00 C ATOM 874 CD2 LEU A 57 6.301 4.842 -1.239 1.00 0.00 C ATOM 0 H LEU A 57 3.448 7.221 -0.434 1.00 0.00 H new ATOM 0 HA LEU A 57 5.123 7.206 -2.729 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.989 5.230 -1.985 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.398 4.970 -2.995 1.00 0.00 H new ATOM 0 HG LEU A 57 4.765 5.806 -0.132 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.783 3.448 0.561 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.177 3.970 -0.001 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.208 2.973 -1.055 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.838 4.503 -0.353 1.00 0.00 H new ATOM 0 HD22 LEU A 57 6.399 4.098 -2.030 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.721 5.789 -1.577 1.00 0.00 H new ATOM 886 N GLN A 58 3.817 7.902 -4.637 1.00 0.00 N ATOM 887 CA GLN A 58 3.079 8.354 -5.804 1.00 0.00 C ATOM 888 C GLN A 58 2.314 7.188 -6.432 1.00 0.00 C ATOM 889 O GLN A 58 2.842 6.083 -6.544 1.00 0.00 O ATOM 890 CB GLN A 58 4.012 9.010 -6.823 1.00 0.00 C ATOM 891 CG GLN A 58 3.992 10.534 -6.683 1.00 0.00 C ATOM 892 CD GLN A 58 4.364 10.959 -5.261 1.00 0.00 C ATOM 893 OE1 GLN A 58 5.437 10.669 -4.760 1.00 0.00 O ATOM 894 NE2 GLN A 58 3.419 11.661 -4.642 1.00 0.00 N ATOM 0 H GLN A 58 4.831 7.967 -4.723 1.00 0.00 H new ATOM 0 HA GLN A 58 2.358 9.106 -5.485 1.00 0.00 H new ATOM 0 HB2 GLN A 58 5.028 8.641 -6.681 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.709 8.730 -7.832 1.00 0.00 H new ATOM 0 HG2 GLN A 58 4.690 10.977 -7.393 1.00 0.00 H new ATOM 0 HG3 GLN A 58 3.001 10.913 -6.932 1.00 0.00 H new ATOM 0 HE21 GLN A 58 2.542 11.869 -5.120 1.00 0.00 H new ATOM 0 HE22 GLN A 58 3.571 11.991 -3.689 1.00 0.00 H new ATOM 903 N ASP A 59 1.081 7.474 -6.826 1.00 0.00 N ATOM 904 CA ASP A 59 0.238 6.462 -7.440 1.00 0.00 C ATOM 905 C ASP A 59 0.883 5.990 -8.745 1.00 0.00 C ATOM 906 O ASP A 59 0.843 4.804 -9.068 1.00 0.00 O ATOM 907 CB ASP A 59 -1.144 7.026 -7.774 1.00 0.00 C ATOM 908 CG ASP A 59 -1.157 8.494 -8.206 1.00 0.00 C ATOM 909 OD1 ASP A 59 -1.097 9.353 -7.300 1.00 0.00 O ATOM 910 OD2 ASP A 59 -1.227 8.724 -9.433 1.00 0.00 O ATOM 0 H ASP A 59 0.646 8.392 -6.732 1.00 0.00 H new ATOM 0 HA ASP A 59 0.131 5.638 -6.734 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.582 6.425 -8.571 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.786 6.914 -6.900 1.00 0.00 H new ATOM 915 N ASP A 60 1.464 6.943 -9.459 1.00 0.00 N ATOM 916 CA ASP A 60 2.117 6.640 -10.721 1.00 0.00 C ATOM 917 C ASP A 60 3.357 5.784 -10.456 1.00 0.00 C ATOM 918 O ASP A 60 3.646 4.854 -11.207 1.00 0.00 O ATOM 919 CB ASP A 60 2.567 7.919 -11.430 1.00 0.00 C ATOM 920 CG ASP A 60 1.941 8.150 -12.807 1.00 0.00 C ATOM 921 OD1 ASP A 60 0.696 8.068 -12.885 1.00 0.00 O ATOM 922 OD2 ASP A 60 2.721 8.404 -13.750 1.00 0.00 O ATOM 0 H ASP A 60 1.496 7.926 -9.187 1.00 0.00 H new ATOM 0 HA ASP A 60 1.403 6.111 -11.352 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.332 8.772 -10.793 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.651 7.893 -11.540 1.00 0.00 H new ATOM 927 N LYS A 61 4.057 6.130 -9.386 1.00 0.00 N ATOM 928 CA LYS A 61 5.260 5.405 -9.012 1.00 0.00 C ATOM 929 C LYS A 61 4.897 3.953 -8.695 1.00 0.00 C ATOM 930 O LYS A 61 3.736 3.642 -8.437 1.00 0.00 O ATOM 931 CB LYS A 61 5.984 6.122 -7.870 1.00 0.00 C ATOM 932 CG LYS A 61 7.168 6.935 -8.396 1.00 0.00 C ATOM 933 CD LYS A 61 8.472 6.143 -8.283 1.00 0.00 C ATOM 934 CE LYS A 61 9.627 7.047 -7.847 1.00 0.00 C ATOM 935 NZ LYS A 61 10.020 6.749 -6.452 1.00 0.00 N ATOM 0 H LYS A 61 3.814 6.903 -8.766 1.00 0.00 H new ATOM 0 HA LYS A 61 5.966 5.383 -9.842 1.00 0.00 H new ATOM 0 HB2 LYS A 61 5.288 6.781 -7.350 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.335 5.391 -7.142 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.993 7.207 -9.437 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.253 7.865 -7.834 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.348 5.333 -7.564 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.707 5.684 -9.243 1.00 0.00 H new ATOM 0 HE2 LYS A 61 10.480 6.903 -8.510 1.00 0.00 H new ATOM 0 HE3 LYS A 61 9.331 8.092 -7.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 10.721 7.447 -6.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 9.182 6.794 -5.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 10.434 5.796 -6.404 1.00 0.00 H new ATOM 949 N LYS A 62 5.913 3.103 -8.725 1.00 0.00 N ATOM 950 CA LYS A 62 5.716 1.691 -8.444 1.00 0.00 C ATOM 951 C LYS A 62 6.370 1.346 -7.105 1.00 0.00 C ATOM 952 O LYS A 62 7.229 2.081 -6.621 1.00 0.00 O ATOM 953 CB LYS A 62 6.218 0.838 -9.611 1.00 0.00 C ATOM 954 CG LYS A 62 5.993 1.549 -10.947 1.00 0.00 C ATOM 955 CD LYS A 62 5.777 0.540 -12.076 1.00 0.00 C ATOM 956 CE LYS A 62 6.572 0.933 -13.323 1.00 0.00 C ATOM 957 NZ LYS A 62 5.848 1.969 -14.094 1.00 0.00 N ATOM 0 H LYS A 62 6.875 3.365 -8.940 1.00 0.00 H new ATOM 0 HA LYS A 62 4.654 1.466 -8.348 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.280 0.627 -9.482 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.700 -0.121 -9.614 1.00 0.00 H new ATOM 0 HG2 LYS A 62 5.127 2.207 -10.872 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.852 2.179 -11.177 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.081 -0.453 -11.744 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.716 0.483 -12.320 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.554 1.307 -13.033 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.737 0.055 -13.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 6.401 2.224 -14.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.921 1.599 -14.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.712 2.812 -13.500 1.00 0.00 H new ATOM 971 N LEU A 63 5.937 0.227 -6.543 1.00 0.00 N ATOM 972 CA LEU A 63 6.469 -0.225 -5.268 1.00 0.00 C ATOM 973 C LEU A 63 7.980 -0.431 -5.396 1.00 0.00 C ATOM 974 O LEU A 63 8.757 0.173 -4.658 1.00 0.00 O ATOM 975 CB LEU A 63 5.718 -1.467 -4.784 1.00 0.00 C ATOM 976 CG LEU A 63 4.230 -1.530 -5.135 1.00 0.00 C ATOM 977 CD1 LEU A 63 3.618 -0.128 -5.182 1.00 0.00 C ATOM 978 CD2 LEU A 63 4.006 -2.297 -6.439 1.00 0.00 C ATOM 0 H LEU A 63 5.224 -0.380 -6.947 1.00 0.00 H new ATOM 0 HA LEU A 63 6.313 0.532 -4.500 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.207 -2.348 -5.200 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.818 -1.529 -3.700 1.00 0.00 H new ATOM 0 HG LEU A 63 3.716 -2.080 -4.346 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.560 -0.201 -5.434 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.727 0.350 -4.208 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.130 0.467 -5.938 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.940 -2.327 -6.665 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.535 -1.797 -7.250 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.383 -3.314 -6.332 1.00 0.00 H new ATOM 990 N GLN A 64 8.352 -1.286 -6.337 1.00 0.00 N ATOM 991 CA GLN A 64 9.755 -1.579 -6.571 1.00 0.00 C ATOM 992 C GLN A 64 10.576 -0.287 -6.559 1.00 0.00 C ATOM 993 O GLN A 64 11.571 -0.187 -5.843 1.00 0.00 O ATOM 994 CB GLN A 64 9.946 -2.338 -7.885 1.00 0.00 C ATOM 995 CG GLN A 64 11.353 -2.932 -7.976 1.00 0.00 C ATOM 996 CD GLN A 64 11.682 -3.345 -9.413 1.00 0.00 C ATOM 997 OE1 GLN A 64 11.612 -2.559 -10.343 1.00 0.00 O ATOM 998 NE2 GLN A 64 12.043 -4.618 -9.540 1.00 0.00 N ATOM 0 H GLN A 64 7.705 -1.786 -6.947 1.00 0.00 H new ATOM 0 HA GLN A 64 10.111 -2.221 -5.765 1.00 0.00 H new ATOM 0 HB2 GLN A 64 9.206 -3.135 -7.960 1.00 0.00 H new ATOM 0 HB3 GLN A 64 9.776 -1.665 -8.726 1.00 0.00 H new ATOM 0 HG2 GLN A 64 12.083 -2.202 -7.627 1.00 0.00 H new ATOM 0 HG3 GLN A 64 11.429 -3.798 -7.318 1.00 0.00 H new ATOM 0 HE21 GLN A 64 12.081 -5.222 -8.719 1.00 0.00 H new ATOM 0 HE22 GLN A 64 12.282 -4.991 -10.459 1.00 0.00 H new ATOM 1007 N GLU A 65 10.128 0.668 -7.361 1.00 0.00 N ATOM 1008 CA GLU A 65 10.809 1.948 -7.451 1.00 0.00 C ATOM 1009 C GLU A 65 11.259 2.410 -6.064 1.00 0.00 C ATOM 1010 O GLU A 65 12.415 2.786 -5.875 1.00 0.00 O ATOM 1011 CB GLU A 65 9.916 2.998 -8.116 1.00 0.00 C ATOM 1012 CG GLU A 65 10.475 3.411 -9.478 1.00 0.00 C ATOM 1013 CD GLU A 65 11.709 4.302 -9.318 1.00 0.00 C ATOM 1014 OE1 GLU A 65 12.703 3.798 -8.751 1.00 0.00 O ATOM 1015 OE2 GLU A 65 11.631 5.466 -9.765 1.00 0.00 O ATOM 0 H GLU A 65 9.302 0.581 -7.954 1.00 0.00 H new ATOM 0 HA GLU A 65 11.694 1.823 -8.075 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.909 2.599 -8.238 1.00 0.00 H new ATOM 0 HB3 GLU A 65 9.836 3.873 -7.471 1.00 0.00 H new ATOM 0 HG2 GLU A 65 10.736 2.522 -10.052 1.00 0.00 H new ATOM 0 HG3 GLU A 65 9.709 3.942 -10.043 1.00 0.00 H new ATOM 1022 N TYR A 66 10.322 2.367 -5.128 1.00 0.00 N ATOM 1023 CA TYR A 66 10.608 2.776 -3.763 1.00 0.00 C ATOM 1024 C TYR A 66 11.454 1.725 -3.042 1.00 0.00 C ATOM 1025 O TYR A 66 12.232 2.056 -2.149 1.00 0.00 O ATOM 1026 CB TYR A 66 9.251 2.889 -3.064 1.00 0.00 C ATOM 1027 CG TYR A 66 8.446 4.127 -3.465 1.00 0.00 C ATOM 1028 CD1 TYR A 66 8.836 5.376 -3.025 1.00 0.00 C ATOM 1029 CD2 TYR A 66 7.330 3.995 -4.265 1.00 0.00 C ATOM 1030 CE1 TYR A 66 8.079 6.541 -3.402 1.00 0.00 C ATOM 1031 CE2 TYR A 66 6.572 5.160 -4.642 1.00 0.00 C ATOM 1032 CZ TYR A 66 6.984 6.375 -4.192 1.00 0.00 C ATOM 1033 OH TYR A 66 6.268 7.476 -4.548 1.00 0.00 O ATOM 0 H TYR A 66 9.364 2.055 -5.288 1.00 0.00 H new ATOM 0 HA TYR A 66 11.164 3.714 -3.751 1.00 0.00 H new ATOM 0 HB2 TYR A 66 8.664 1.998 -3.287 1.00 0.00 H new ATOM 0 HB3 TYR A 66 9.409 2.905 -1.986 1.00 0.00 H new ATOM 0 HD1 TYR A 66 9.709 5.479 -2.398 1.00 0.00 H new ATOM 0 HD2 TYR A 66 7.025 3.018 -4.609 1.00 0.00 H new ATOM 0 HE1 TYR A 66 8.374 7.524 -3.065 1.00 0.00 H new ATOM 0 HE2 TYR A 66 5.696 5.071 -5.268 1.00 0.00 H new ATOM 0 HH TYR A 66 6.624 7.841 -5.385 1.00 0.00 H new ATOM 1043 N ASN A 67 11.273 0.480 -3.456 1.00 0.00 N ATOM 1044 CA ASN A 67 12.010 -0.622 -2.860 1.00 0.00 C ATOM 1045 C ASN A 67 11.326 -1.043 -1.559 1.00 0.00 C ATOM 1046 O ASN A 67 11.992 -1.292 -0.555 1.00 0.00 O ATOM 1047 CB ASN A 67 13.445 -0.208 -2.527 1.00 0.00 C ATOM 1048 CG ASN A 67 14.408 -1.385 -2.695 1.00 0.00 C ATOM 1049 OD1 ASN A 67 14.528 -2.249 -1.842 1.00 0.00 O ATOM 1050 ND2 ASN A 67 15.086 -1.370 -3.839 1.00 0.00 N ATOM 0 H ASN A 67 10.627 0.209 -4.197 1.00 0.00 H new ATOM 0 HA ASN A 67 12.028 -1.443 -3.577 1.00 0.00 H new ATOM 0 HB2 ASN A 67 13.751 0.612 -3.177 1.00 0.00 H new ATOM 0 HB3 ASN A 67 13.492 0.162 -1.503 1.00 0.00 H new ATOM 0 HD21 ASN A 67 15.755 -2.112 -4.045 1.00 0.00 H new ATOM 0 HD22 ASN A 67 14.937 -0.616 -4.510 1.00 0.00 H new ATOM 1057 N VAL A 68 10.004 -1.110 -1.617 1.00 0.00 N ATOM 1058 CA VAL A 68 9.221 -1.497 -0.456 1.00 0.00 C ATOM 1059 C VAL A 68 9.058 -3.018 -0.440 1.00 0.00 C ATOM 1060 O VAL A 68 8.223 -3.548 0.291 1.00 0.00 O ATOM 1061 CB VAL A 68 7.885 -0.752 -0.453 1.00 0.00 C ATOM 1062 CG1 VAL A 68 8.098 0.759 -0.566 1.00 0.00 C ATOM 1063 CG2 VAL A 68 6.971 -1.262 -1.570 1.00 0.00 C ATOM 0 H VAL A 68 9.455 -0.902 -2.451 1.00 0.00 H new ATOM 0 HA VAL A 68 9.736 -1.216 0.463 1.00 0.00 H new ATOM 0 HB VAL A 68 7.394 -0.950 0.500 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.132 1.264 -0.562 1.00 0.00 H new ATOM 0 HG12 VAL A 68 8.693 1.107 0.278 1.00 0.00 H new ATOM 0 HG13 VAL A 68 8.621 0.984 -1.496 1.00 0.00 H new ATOM 0 HG21 VAL A 68 6.028 -0.716 -1.546 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.455 -1.108 -2.535 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.779 -2.325 -1.426 1.00 0.00 H new ATOM 1073 N GLY A 69 9.870 -3.677 -1.254 1.00 0.00 N ATOM 1074 CA GLY A 69 9.826 -5.126 -1.342 1.00 0.00 C ATOM 1075 C GLY A 69 10.101 -5.767 0.019 1.00 0.00 C ATOM 1076 O GLY A 69 11.203 -5.650 0.554 1.00 0.00 O ATOM 0 H GLY A 69 10.562 -3.234 -1.858 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.848 -5.442 -1.706 1.00 0.00 H new ATOM 0 HA3 GLY A 69 10.563 -5.472 -2.067 1.00 0.00 H new ATOM 1080 N GLY A 70 9.080 -6.431 0.542 1.00 0.00 N ATOM 1081 CA GLY A 70 9.198 -7.090 1.832 1.00 0.00 C ATOM 1082 C GLY A 70 9.287 -6.067 2.965 1.00 0.00 C ATOM 1083 O GLY A 70 9.489 -6.432 4.122 1.00 0.00 O ATOM 0 H GLY A 70 8.168 -6.527 0.096 1.00 0.00 H new ATOM 0 HA2 GLY A 70 8.338 -7.741 1.992 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.084 -7.725 1.840 1.00 0.00 H new ATOM 1087 N LYS A 71 9.130 -4.805 2.593 1.00 0.00 N ATOM 1088 CA LYS A 71 9.189 -3.726 3.565 1.00 0.00 C ATOM 1089 C LYS A 71 7.792 -3.484 4.139 1.00 0.00 C ATOM 1090 O LYS A 71 6.810 -4.037 3.645 1.00 0.00 O ATOM 1091 CB LYS A 71 9.822 -2.479 2.943 1.00 0.00 C ATOM 1092 CG LYS A 71 11.242 -2.771 2.454 1.00 0.00 C ATOM 1093 CD LYS A 71 12.253 -2.643 3.596 1.00 0.00 C ATOM 1094 CE LYS A 71 13.671 -2.950 3.110 1.00 0.00 C ATOM 1095 NZ LYS A 71 14.185 -4.178 3.757 1.00 0.00 N ATOM 0 H LYS A 71 8.962 -4.505 1.633 1.00 0.00 H new ATOM 0 HA LYS A 71 9.834 -4.001 4.400 1.00 0.00 H new ATOM 0 HB2 LYS A 71 9.210 -2.133 2.110 1.00 0.00 H new ATOM 0 HB3 LYS A 71 9.845 -1.674 3.677 1.00 0.00 H new ATOM 0 HG2 LYS A 71 11.287 -3.776 2.035 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.504 -2.080 1.653 1.00 0.00 H new ATOM 0 HD2 LYS A 71 12.216 -1.634 4.008 1.00 0.00 H new ATOM 0 HD3 LYS A 71 11.985 -3.326 4.402 1.00 0.00 H new ATOM 0 HE2 LYS A 71 13.672 -3.075 2.027 1.00 0.00 H new ATOM 0 HE3 LYS A 71 14.329 -2.110 3.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 15.148 -4.373 3.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 14.202 -4.046 4.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 13.566 -4.980 3.521 1.00 0.00 H new ATOM 1109 N VAL A 72 7.746 -2.658 5.174 1.00 0.00 N ATOM 1110 CA VAL A 72 6.485 -2.337 5.820 1.00 0.00 C ATOM 1111 C VAL A 72 6.102 -0.893 5.491 1.00 0.00 C ATOM 1112 O VAL A 72 6.764 0.045 5.931 1.00 0.00 O ATOM 1113 CB VAL A 72 6.586 -2.601 7.324 1.00 0.00 C ATOM 1114 CG1 VAL A 72 5.493 -1.849 8.087 1.00 0.00 C ATOM 1115 CG2 VAL A 72 6.532 -4.100 7.622 1.00 0.00 C ATOM 0 H VAL A 72 8.562 -2.201 5.581 1.00 0.00 H new ATOM 0 HA VAL A 72 5.688 -2.979 5.444 1.00 0.00 H new ATOM 0 HB VAL A 72 7.551 -2.227 7.666 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.587 -2.054 9.153 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.598 -0.778 7.912 1.00 0.00 H new ATOM 0 HG13 VAL A 72 4.514 -2.179 7.739 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.606 -4.260 8.698 1.00 0.00 H new ATOM 0 HG22 VAL A 72 5.590 -4.510 7.258 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.362 -4.600 7.123 1.00 0.00 H new ATOM 1125 N ILE A 73 5.033 -0.760 4.719 1.00 0.00 N ATOM 1126 CA ILE A 73 4.553 0.554 4.325 1.00 0.00 C ATOM 1127 C ILE A 73 3.510 1.035 5.336 1.00 0.00 C ATOM 1128 O ILE A 73 3.077 0.271 6.198 1.00 0.00 O ATOM 1129 CB ILE A 73 4.045 0.529 2.882 1.00 0.00 C ATOM 1130 CG1 ILE A 73 5.002 -0.252 1.978 1.00 0.00 C ATOM 1131 CG2 ILE A 73 3.796 1.946 2.364 1.00 0.00 C ATOM 1132 CD1 ILE A 73 4.324 -0.629 0.659 1.00 0.00 C ATOM 0 H ILE A 73 4.486 -1.540 4.356 1.00 0.00 H new ATOM 0 HA ILE A 73 5.368 1.277 4.338 1.00 0.00 H new ATOM 0 HB ILE A 73 3.088 0.008 2.865 1.00 0.00 H new ATOM 0 HG12 ILE A 73 5.889 0.348 1.777 1.00 0.00 H new ATOM 0 HG13 ILE A 73 5.337 -1.154 2.490 1.00 0.00 H new ATOM 0 HG21 ILE A 73 3.436 1.900 1.336 1.00 0.00 H new ATOM 0 HG22 ILE A 73 3.049 2.436 2.989 1.00 0.00 H new ATOM 0 HG23 ILE A 73 4.726 2.514 2.397 1.00 0.00 H new ATOM 0 HD11 ILE A 73 5.025 -1.183 0.035 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.451 -1.249 0.863 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.012 0.276 0.138 1.00 0.00 H new ATOM 1144 N HIS A 74 3.136 2.298 5.196 1.00 0.00 N ATOM 1145 CA HIS A 74 2.151 2.890 6.086 1.00 0.00 C ATOM 1146 C HIS A 74 0.999 3.470 5.264 1.00 0.00 C ATOM 1147 O HIS A 74 1.111 4.569 4.721 1.00 0.00 O ATOM 1148 CB HIS A 74 2.803 3.924 7.007 1.00 0.00 C ATOM 1149 CG HIS A 74 3.595 3.322 8.143 1.00 0.00 C ATOM 1150 ND1 HIS A 74 3.005 2.624 9.182 1.00 0.00 N ATOM 1151 CD2 HIS A 74 4.936 3.320 8.391 1.00 0.00 C ATOM 1152 CE1 HIS A 74 3.957 2.226 10.013 1.00 0.00 C ATOM 1153 NE2 HIS A 74 5.153 2.659 9.521 1.00 0.00 N ATOM 0 H HIS A 74 3.497 2.928 4.480 1.00 0.00 H new ATOM 0 HA HIS A 74 1.735 2.121 6.737 1.00 0.00 H new ATOM 0 HB2 HIS A 74 3.462 4.559 6.415 1.00 0.00 H new ATOM 0 HB3 HIS A 74 2.027 4.568 7.420 1.00 0.00 H new ATOM 0 HD2 HIS A 74 5.693 3.779 7.772 1.00 0.00 H new ATOM 0 HE1 HIS A 74 3.812 1.659 10.920 1.00 0.00 H new ATOM 0 HE2 HIS A 74 6.064 2.501 9.951 1.00 0.00 H new ATOM 1161 N LEU A 75 -0.082 2.707 5.198 1.00 0.00 N ATOM 1162 CA LEU A 75 -1.253 3.132 4.451 1.00 0.00 C ATOM 1163 C LEU A 75 -2.235 3.823 5.400 1.00 0.00 C ATOM 1164 O LEU A 75 -2.385 3.413 6.550 1.00 0.00 O ATOM 1165 CB LEU A 75 -1.861 1.952 3.690 1.00 0.00 C ATOM 1166 CG LEU A 75 -3.369 2.018 3.443 1.00 0.00 C ATOM 1167 CD1 LEU A 75 -3.712 3.114 2.432 1.00 0.00 C ATOM 1168 CD2 LEU A 75 -3.915 0.654 3.017 1.00 0.00 C ATOM 0 H LEU A 75 -0.171 1.797 5.650 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.975 3.862 3.691 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.358 1.869 2.726 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.643 1.038 4.243 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.857 2.282 4.381 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.790 3.139 2.275 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.378 4.079 2.814 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.212 2.906 1.486 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -4.989 0.729 2.848 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.424 0.337 2.097 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.721 -0.077 3.802 1.00 0.00 H new ATOM 1180 N VAL A 76 -2.879 4.859 4.883 1.00 0.00 N ATOM 1181 CA VAL A 76 -3.842 5.610 5.669 1.00 0.00 C ATOM 1182 C VAL A 76 -5.124 5.796 4.856 1.00 0.00 C ATOM 1183 O VAL A 76 -5.074 5.937 3.635 1.00 0.00 O ATOM 1184 CB VAL A 76 -3.226 6.935 6.125 1.00 0.00 C ATOM 1185 CG1 VAL A 76 -2.008 6.694 7.019 1.00 0.00 C ATOM 1186 CG2 VAL A 76 -2.861 7.811 4.926 1.00 0.00 C ATOM 0 H VAL A 76 -2.752 5.196 3.929 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.107 5.062 6.573 1.00 0.00 H new ATOM 0 HB VAL A 76 -3.973 7.467 6.713 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -1.589 7.651 7.329 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.310 6.127 7.900 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.256 6.131 6.466 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -2.425 8.746 5.278 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.139 7.288 4.299 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.758 8.025 4.345 1.00 0.00 H new ATOM 1196 N GLU A 77 -6.243 5.790 5.566 1.00 0.00 N ATOM 1197 CA GLU A 77 -7.537 5.956 4.925 1.00 0.00 C ATOM 1198 C GLU A 77 -8.122 7.330 5.258 1.00 0.00 C ATOM 1199 O GLU A 77 -8.057 7.775 6.403 1.00 0.00 O ATOM 1200 CB GLU A 77 -8.498 4.837 5.332 1.00 0.00 C ATOM 1201 CG GLU A 77 -9.904 5.097 4.787 1.00 0.00 C ATOM 1202 CD GLU A 77 -10.895 5.350 5.926 1.00 0.00 C ATOM 1203 OE1 GLU A 77 -10.443 5.878 6.964 1.00 0.00 O ATOM 1204 OE2 GLU A 77 -12.081 5.008 5.731 1.00 0.00 O ATOM 0 H GLU A 77 -6.280 5.673 6.579 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.397 5.895 3.846 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -8.130 3.882 4.957 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.534 4.761 6.419 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.885 5.958 4.118 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -10.233 4.242 4.197 1.00 0.00 H new ATOM 1211 N ARG A 78 -8.679 7.964 4.237 1.00 0.00 N ATOM 1212 CA ARG A 78 -9.275 9.278 4.407 1.00 0.00 C ATOM 1213 C ARG A 78 -10.481 9.196 5.345 1.00 0.00 C ATOM 1214 O ARG A 78 -10.952 8.105 5.663 1.00 0.00 O ATOM 1215 CB ARG A 78 -9.721 9.859 3.063 1.00 0.00 C ATOM 1216 CG ARG A 78 -8.515 10.264 2.214 1.00 0.00 C ATOM 1217 CD ARG A 78 -8.868 11.420 1.276 1.00 0.00 C ATOM 1218 NE ARG A 78 -9.966 11.018 0.369 1.00 0.00 N ATOM 1219 CZ ARG A 78 -10.713 11.881 -0.334 1.00 0.00 C ATOM 1220 NH1 ARG A 78 -10.485 13.198 -0.239 1.00 0.00 N ATOM 1221 NH2 ARG A 78 -11.689 11.426 -1.132 1.00 0.00 N ATOM 0 H ARG A 78 -8.730 7.592 3.289 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.518 9.932 4.839 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -10.318 9.123 2.525 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -10.359 10.726 3.231 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -7.690 10.557 2.864 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -8.173 9.409 1.631 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -9.166 12.293 1.857 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -7.992 11.708 0.695 1.00 0.00 H new ATOM 0 HE ARG A 78 -10.167 10.023 0.273 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -9.743 13.545 0.369 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -11.054 13.854 -0.774 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -11.863 10.424 -1.204 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -12.258 12.082 -1.667 1.00 0.00 H new ATOM 1235 N ALA A 79 -10.946 10.365 5.761 1.00 0.00 N ATOM 1236 CA ALA A 79 -12.089 10.440 6.656 1.00 0.00 C ATOM 1237 C ALA A 79 -13.375 10.500 5.831 1.00 0.00 C ATOM 1238 O ALA A 79 -13.358 10.931 4.679 1.00 0.00 O ATOM 1239 CB ALA A 79 -11.933 11.647 7.583 1.00 0.00 C ATOM 0 H ALA A 79 -10.552 11.268 5.495 1.00 0.00 H new ATOM 0 HA ALA A 79 -12.143 9.551 7.285 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -12.790 11.703 8.254 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -11.020 11.540 8.169 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -11.878 12.558 6.988 1.00 0.00 H new ATOM 1245 N PRO A 80 -14.489 10.049 6.468 1.00 0.00 N ATOM 1246 CA PRO A 80 -15.782 10.048 5.805 1.00 0.00 C ATOM 1247 C PRO A 80 -16.358 11.463 5.724 1.00 0.00 C ATOM 1248 O PRO A 80 -16.066 12.305 6.572 1.00 0.00 O ATOM 1249 CB PRO A 80 -16.643 9.101 6.625 1.00 0.00 C ATOM 1250 CG PRO A 80 -15.952 8.970 7.972 1.00 0.00 C ATOM 1251 CD PRO A 80 -14.547 9.531 7.832 1.00 0.00 C ATOM 0 HA PRO A 80 -15.724 9.715 4.769 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -17.653 9.493 6.741 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -16.732 8.131 6.136 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -16.505 9.513 8.739 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -15.917 7.926 8.283 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -14.360 10.318 8.563 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -13.794 8.759 7.995 1.00 0.00 H new ATOM 1259 N SER A 81 -17.167 11.680 4.698 1.00 0.00 N ATOM 1260 CA SER A 81 -17.787 12.978 4.495 1.00 0.00 C ATOM 1261 C SER A 81 -18.976 12.848 3.541 1.00 0.00 C ATOM 1262 O SER A 81 -18.895 12.143 2.536 1.00 0.00 O ATOM 1263 CB SER A 81 -16.778 13.992 3.951 1.00 0.00 C ATOM 1264 OG SER A 81 -17.292 15.321 3.974 1.00 0.00 O ATOM 0 H SER A 81 -17.408 10.978 3.998 1.00 0.00 H new ATOM 0 HA SER A 81 -18.142 13.341 5.460 1.00 0.00 H new ATOM 0 HB2 SER A 81 -15.864 13.947 4.542 1.00 0.00 H new ATOM 0 HB3 SER A 81 -16.510 13.724 2.929 1.00 0.00 H new ATOM 0 HG SER A 81 -16.618 15.939 3.621 1.00 0.00 H new ATOM 1270 N GLY A 82 -20.052 13.538 3.889 1.00 0.00 N ATOM 1271 CA GLY A 82 -21.255 13.508 3.075 1.00 0.00 C ATOM 1272 C GLY A 82 -21.582 12.080 2.632 1.00 0.00 C ATOM 1273 O GLY A 82 -21.099 11.116 3.224 1.00 0.00 O ATOM 0 H GLY A 82 -20.116 14.121 4.723 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -22.092 13.918 3.641 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -21.122 14.143 2.199 1.00 0.00 H new ATOM 1277 N PRO A 83 -22.423 11.987 1.567 1.00 0.00 N ATOM 1278 CA PRO A 83 -22.820 10.693 1.038 1.00 0.00 C ATOM 1279 C PRO A 83 -21.681 10.054 0.240 1.00 0.00 C ATOM 1280 O PRO A 83 -21.545 10.299 -0.958 1.00 0.00 O ATOM 1281 CB PRO A 83 -24.052 10.975 0.194 1.00 0.00 C ATOM 1282 CG PRO A 83 -24.026 12.467 -0.096 1.00 0.00 C ATOM 1283 CD PRO A 83 -23.015 13.107 0.841 1.00 0.00 C ATOM 0 HA PRO A 83 -23.047 9.970 1.821 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -24.033 10.397 -0.730 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -24.962 10.696 0.726 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -23.752 12.649 -1.135 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -25.014 12.902 0.054 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -22.259 13.664 0.287 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -23.495 13.811 1.521 1.00 0.00 H new ATOM 1291 N SER A 84 -20.893 9.248 0.936 1.00 0.00 N ATOM 1292 CA SER A 84 -19.771 8.573 0.307 1.00 0.00 C ATOM 1293 C SER A 84 -19.347 7.368 1.150 1.00 0.00 C ATOM 1294 O SER A 84 -19.163 7.487 2.360 1.00 0.00 O ATOM 1295 CB SER A 84 -18.591 9.527 0.114 1.00 0.00 C ATOM 1296 OG SER A 84 -17.959 9.346 -1.150 1.00 0.00 O ATOM 0 H SER A 84 -21.009 9.047 1.929 1.00 0.00 H new ATOM 0 HA SER A 84 -20.088 8.228 -0.677 1.00 0.00 H new ATOM 0 HB2 SER A 84 -18.939 10.556 0.201 1.00 0.00 H new ATOM 0 HB3 SER A 84 -17.863 9.368 0.909 1.00 0.00 H new ATOM 0 HG SER A 84 -17.212 9.975 -1.235 1.00 0.00 H new ATOM 1302 N SER A 85 -19.204 6.236 0.477 1.00 0.00 N ATOM 1303 CA SER A 85 -18.804 5.011 1.148 1.00 0.00 C ATOM 1304 C SER A 85 -19.862 4.610 2.178 1.00 0.00 C ATOM 1305 O SER A 85 -20.203 5.396 3.062 1.00 0.00 O ATOM 1306 CB SER A 85 -17.441 5.172 1.823 1.00 0.00 C ATOM 1307 OG SER A 85 -16.378 4.698 1.001 1.00 0.00 O ATOM 0 H SER A 85 -19.358 6.141 -0.527 1.00 0.00 H new ATOM 0 HA SER A 85 -18.717 4.224 0.399 1.00 0.00 H new ATOM 0 HB2 SER A 85 -17.275 6.223 2.059 1.00 0.00 H new ATOM 0 HB3 SER A 85 -17.438 4.629 2.768 1.00 0.00 H new ATOM 0 HG SER A 85 -15.525 4.820 1.467 1.00 0.00 H new ATOM 1313 N GLY A 86 -20.353 3.388 2.031 1.00 0.00 N ATOM 1314 CA GLY A 86 -21.365 2.874 2.938 1.00 0.00 C ATOM 1315 C GLY A 86 -22.456 2.122 2.172 1.00 0.00 C ATOM 1316 O GLY A 86 -23.643 2.302 2.439 1.00 0.00 O ATOM 0 H GLY A 86 -20.069 2.739 1.297 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -20.902 2.208 3.666 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -21.810 3.697 3.497 1.00 0.00 H new TER 1320 GLY A 86