USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 663 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 21 LYS NZ :NH3+ 168:sc= 0.103 (180deg=-0.263) USER MOD Set 1.2: A 27 THR OG1 : rot -71:sc= 1.73 USER MOD Set 1.3: A 30 SER OG : rot 10:sc= 1.79 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -132:sc= 0.905 (180deg=-0.0412) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot -49:sc= 0.687 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.00777) USER MOD Single : A 9 GLN : amide:sc=-0.00302 K(o=-0.003,f=-1.9!) USER MOD Single : A 10 LYS NZ :NH3+ -170:sc=-0.00738 (180deg=-0.134) USER MOD Single : A 14 MET CE :methyl -128:sc= -6.92! (180deg=-12.6!) USER MOD Single : A 18 LYS NZ :NH3+ -165:sc= 0.332 (180deg=0.202) USER MOD Single : A 20 ASN : amide:sc= -0.54 K(o=-0.54,f=-0.0094) USER MOD Single : A 23 LYS NZ :NH3+ -144:sc= -0.169 (180deg=-1.64!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 148:sc= 0.176 (180deg=0.0153) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.0443 USER MOD Single : A 47 MET CE :methyl -156:sc= -0.647 (180deg=-1.9) USER MOD Single : A 48 MET CE :methyl -137:sc= -1.81 (180deg=-4.23!) USER MOD Single : A 54 TYR OH : rot 180:sc= -0.196 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot -173:sc= -1.58 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= -0.699 K(o=-0.7,f=-2.1) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.704 -3.038 -0.528 1.00 34.14 N ATOM 2 CA MET A 1 6.985 -4.143 -1.152 1.00 52.31 C ATOM 3 C MET A 1 6.386 -3.715 -2.488 1.00 72.12 C ATOM 4 O MET A 1 6.565 -2.578 -2.924 1.00 41.00 O ATOM 5 CB MET A 1 5.880 -4.650 -0.224 1.00 31.15 C ATOM 6 CG MET A 1 4.822 -3.605 0.090 1.00 1.54 C ATOM 7 SD MET A 1 5.229 -2.620 1.546 1.00 75.54 S ATOM 8 CE MET A 1 3.715 -2.773 2.491 1.00 52.22 C ATOM 0 H1 MET A 1 8.639 -3.367 -0.211 1.00 34.14 H new ATOM 0 H2 MET A 1 7.823 -2.268 -1.217 1.00 34.14 H new ATOM 0 H3 MET A 1 7.164 -2.690 0.290 1.00 34.14 H new ATOM 0 HA MET A 1 7.695 -4.950 -1.333 1.00 52.31 H new ATOM 0 HB2 MET A 1 5.400 -5.514 -0.683 1.00 31.15 H new ATOM 0 HB3 MET A 1 6.329 -4.992 0.709 1.00 31.15 H new ATOM 0 HG2 MET A 1 4.703 -2.945 -0.769 1.00 1.54 H new ATOM 0 HG3 MET A 1 3.864 -4.100 0.247 1.00 1.54 H new ATOM 0 HE1 MET A 1 3.810 -2.216 3.423 1.00 52.22 H new ATOM 0 HE2 MET A 1 2.883 -2.372 1.912 1.00 52.22 H new ATOM 0 HE3 MET A 1 3.530 -3.824 2.713 1.00 52.22 H new ATOM 18 N SER A 2 5.674 -4.634 -3.134 1.00 2.33 N ATOM 19 CA SER A 2 5.052 -4.353 -4.422 1.00 44.54 C ATOM 20 C SER A 2 3.544 -4.574 -4.358 1.00 23.52 C ATOM 21 O SER A 2 3.061 -5.427 -3.612 1.00 61.44 O ATOM 22 CB SER A 2 5.663 -5.237 -5.511 1.00 43.21 C ATOM 23 OG SER A 2 5.943 -6.535 -5.016 1.00 41.14 O ATOM 0 H SER A 2 5.514 -5.579 -2.786 1.00 2.33 H new ATOM 0 HA SER A 2 5.238 -3.307 -4.666 1.00 44.54 H new ATOM 0 HB2 SER A 2 4.977 -5.306 -6.355 1.00 43.21 H new ATOM 0 HB3 SER A 2 6.580 -4.780 -5.883 1.00 43.21 H new ATOM 0 HG SER A 2 6.331 -7.081 -5.731 1.00 41.14 H new ATOM 29 N THR A 3 2.804 -3.800 -5.145 1.00 1.10 N ATOM 30 CA THR A 3 1.351 -3.910 -5.178 1.00 2.54 C ATOM 31 C THR A 3 0.851 -4.168 -6.594 1.00 60.12 C ATOM 32 O THR A 3 -0.246 -3.748 -6.963 1.00 73.02 O ATOM 33 CB THR A 3 0.679 -2.635 -4.633 1.00 23.13 C ATOM 34 OG1 THR A 3 -0.729 -2.848 -4.487 1.00 12.11 O ATOM 35 CG2 THR A 3 0.926 -1.455 -5.560 1.00 54.41 C ATOM 0 H THR A 3 3.187 -3.090 -5.769 1.00 1.10 H new ATOM 0 HA THR A 3 1.083 -4.754 -4.542 1.00 2.54 H new ATOM 0 HB THR A 3 1.114 -2.409 -3.660 1.00 23.13 H new ATOM 0 HG1 THR A 3 -1.090 -3.230 -5.314 1.00 12.11 H new ATOM 0 HG21 THR A 3 0.442 -0.566 -5.155 1.00 54.41 H new ATOM 0 HG22 THR A 3 1.998 -1.277 -5.645 1.00 54.41 H new ATOM 0 HG23 THR A 3 0.515 -1.674 -6.545 1.00 54.41 H new ATOM 43 N THR A 4 1.662 -4.863 -7.386 1.00 22.02 N ATOM 44 CA THR A 4 1.302 -5.177 -8.763 1.00 30.45 C ATOM 45 C THR A 4 1.057 -3.908 -9.570 1.00 71.02 C ATOM 46 O THR A 4 0.130 -3.844 -10.378 1.00 12.03 O ATOM 47 CB THR A 4 0.044 -6.063 -8.826 1.00 34.43 C ATOM 48 OG1 THR A 4 0.096 -7.063 -7.801 1.00 41.34 O ATOM 49 CG2 THR A 4 -0.080 -6.731 -10.187 1.00 32.21 C ATOM 0 H THR A 4 2.573 -5.219 -7.097 1.00 22.02 H new ATOM 0 HA THR A 4 2.143 -5.721 -9.194 1.00 30.45 H new ATOM 0 HB THR A 4 -0.828 -5.428 -8.669 1.00 34.43 H new ATOM 0 HG1 THR A 4 -0.708 -7.621 -7.847 1.00 41.34 H new ATOM 0 HG21 THR A 4 -0.976 -7.352 -10.207 1.00 32.21 H new ATOM 0 HG22 THR A 4 -0.150 -5.968 -10.962 1.00 32.21 H new ATOM 0 HG23 THR A 4 0.796 -7.353 -10.368 1.00 32.21 H new ATOM 57 N ASP A 5 1.894 -2.900 -9.348 1.00 75.41 N ATOM 58 CA ASP A 5 1.769 -1.632 -10.057 1.00 74.22 C ATOM 59 C ASP A 5 2.771 -1.550 -11.204 1.00 71.03 C ATOM 60 O ASP A 5 2.447 -1.077 -12.294 1.00 12.12 O ATOM 61 CB ASP A 5 1.979 -0.462 -9.095 1.00 20.32 C ATOM 62 CG ASP A 5 1.698 0.879 -9.743 1.00 72.24 C ATOM 63 OD1 ASP A 5 2.636 1.467 -10.319 1.00 43.24 O ATOM 64 OD2 ASP A 5 0.539 1.340 -9.674 1.00 42.43 O ATOM 0 H ASP A 5 2.666 -2.937 -8.683 1.00 75.41 H new ATOM 0 HA ASP A 5 0.763 -1.574 -10.472 1.00 74.22 H new ATOM 0 HB2 ASP A 5 1.329 -0.587 -8.229 1.00 20.32 H new ATOM 0 HB3 ASP A 5 3.005 -0.477 -8.728 1.00 20.32 H new ATOM 69 N LYS A 6 3.990 -2.013 -10.952 1.00 5.12 N ATOM 70 CA LYS A 6 5.041 -1.993 -11.962 1.00 45.43 C ATOM 71 C LYS A 6 4.664 -2.861 -13.158 1.00 32.43 C ATOM 72 O LYS A 6 5.028 -2.561 -14.295 1.00 1.21 O ATOM 73 CB LYS A 6 6.363 -2.478 -11.363 1.00 22.02 C ATOM 74 CG LYS A 6 7.279 -1.351 -10.918 1.00 25.32 C ATOM 75 CD LYS A 6 8.181 -0.886 -12.049 1.00 20.10 C ATOM 76 CE LYS A 6 9.524 -1.600 -12.021 1.00 11.21 C ATOM 77 NZ LYS A 6 10.419 -1.055 -10.963 1.00 23.52 N ATOM 0 H LYS A 6 4.275 -2.407 -10.056 1.00 5.12 H new ATOM 0 HA LYS A 6 5.160 -0.965 -12.305 1.00 45.43 H new ATOM 0 HB2 LYS A 6 6.151 -3.121 -10.509 1.00 22.02 H new ATOM 0 HB3 LYS A 6 6.884 -3.089 -12.100 1.00 22.02 H new ATOM 0 HG2 LYS A 6 6.680 -0.513 -10.561 1.00 25.32 H new ATOM 0 HG3 LYS A 6 7.889 -1.686 -10.079 1.00 25.32 H new ATOM 0 HD2 LYS A 6 7.691 -1.069 -13.005 1.00 20.10 H new ATOM 0 HD3 LYS A 6 8.338 0.190 -11.972 1.00 20.10 H new ATOM 0 HE2 LYS A 6 9.366 -2.665 -11.850 1.00 11.21 H new ATOM 0 HE3 LYS A 6 10.008 -1.502 -12.993 1.00 11.21 H new ATOM 0 HZ1 LYS A 6 11.358 -1.496 -11.041 1.00 23.52 H new ATOM 0 HZ2 LYS A 6 10.509 -0.026 -11.081 1.00 23.52 H new ATOM 0 HZ3 LYS A 6 10.016 -1.262 -10.027 1.00 23.52 H new ATOM 91 N ILE A 7 3.931 -3.938 -12.893 1.00 1.20 N ATOM 92 CA ILE A 7 3.502 -4.848 -13.948 1.00 4.21 C ATOM 93 C ILE A 7 2.686 -4.116 -15.007 1.00 54.41 C ATOM 94 O ILE A 7 2.734 -4.458 -16.188 1.00 42.20 O ATOM 95 CB ILE A 7 2.665 -6.010 -13.383 1.00 20.23 C ATOM 96 CG1 ILE A 7 3.445 -6.746 -12.292 1.00 23.42 C ATOM 97 CG2 ILE A 7 2.269 -6.968 -14.496 1.00 70.13 C ATOM 98 CD1 ILE A 7 2.621 -7.774 -11.548 1.00 11.53 C ATOM 0 H ILE A 7 3.622 -4.201 -11.957 1.00 1.20 H new ATOM 0 HA ILE A 7 4.406 -5.251 -14.404 1.00 4.21 H new ATOM 0 HB ILE A 7 1.756 -5.602 -12.941 1.00 20.23 H new ATOM 0 HG12 ILE A 7 4.306 -7.240 -12.743 1.00 23.42 H new ATOM 0 HG13 ILE A 7 3.832 -6.018 -11.579 1.00 23.42 H new ATOM 0 HG21 ILE A 7 1.678 -7.784 -14.080 1.00 70.13 H new ATOM 0 HG22 ILE A 7 1.679 -6.435 -15.242 1.00 70.13 H new ATOM 0 HG23 ILE A 7 3.166 -7.372 -14.965 1.00 70.13 H new ATOM 0 HD11 ILE A 7 3.239 -8.256 -10.790 1.00 11.53 H new ATOM 0 HD12 ILE A 7 1.774 -7.283 -11.068 1.00 11.53 H new ATOM 0 HD13 ILE A 7 2.256 -8.524 -12.249 1.00 11.53 H new ATOM 110 N GLU A 8 1.937 -3.105 -14.576 1.00 21.23 N ATOM 111 CA GLU A 8 1.110 -2.324 -15.488 1.00 44.11 C ATOM 112 C GLU A 8 1.945 -1.768 -16.638 1.00 5.42 C ATOM 113 O GLU A 8 1.581 -1.905 -17.805 1.00 41.33 O ATOM 114 CB GLU A 8 0.427 -1.178 -14.738 1.00 63.25 C ATOM 115 CG GLU A 8 -0.514 -0.359 -15.606 1.00 32.34 C ATOM 116 CD GLU A 8 0.214 0.677 -16.440 1.00 32.22 C ATOM 117 OE1 GLU A 8 0.821 1.594 -15.848 1.00 25.50 O ATOM 118 OE2 GLU A 8 0.176 0.571 -17.683 1.00 53.53 O ATOM 0 H GLU A 8 1.886 -2.808 -13.601 1.00 21.23 H new ATOM 0 HA GLU A 8 0.347 -2.983 -15.901 1.00 44.11 H new ATOM 0 HB2 GLU A 8 -0.132 -1.588 -13.897 1.00 63.25 H new ATOM 0 HB3 GLU A 8 1.191 -0.520 -14.323 1.00 63.25 H new ATOM 0 HG2 GLU A 8 -1.068 -1.027 -16.266 1.00 32.34 H new ATOM 0 HG3 GLU A 8 -1.246 0.140 -14.971 1.00 32.34 H new ATOM 125 N GLN A 9 3.066 -1.139 -16.297 1.00 62.45 N ATOM 126 CA GLN A 9 3.952 -0.561 -17.301 1.00 22.31 C ATOM 127 C GLN A 9 4.942 -1.600 -17.817 1.00 21.53 C ATOM 128 O GLN A 9 5.517 -1.445 -18.894 1.00 45.30 O ATOM 129 CB GLN A 9 4.707 0.634 -16.717 1.00 43.01 C ATOM 130 CG GLN A 9 5.199 1.615 -17.769 1.00 2.54 C ATOM 131 CD GLN A 9 4.142 2.629 -18.161 1.00 61.30 C ATOM 132 OE1 GLN A 9 2.959 2.302 -18.262 1.00 63.40 O ATOM 133 NE2 GLN A 9 4.564 3.868 -18.385 1.00 35.13 N ATOM 0 H GLN A 9 3.382 -1.017 -15.335 1.00 62.45 H new ATOM 0 HA GLN A 9 3.340 -0.223 -18.137 1.00 22.31 H new ATOM 0 HB2 GLN A 9 4.055 1.159 -16.019 1.00 43.01 H new ATOM 0 HB3 GLN A 9 5.560 0.270 -16.144 1.00 43.01 H new ATOM 0 HG2 GLN A 9 6.077 2.139 -17.390 1.00 2.54 H new ATOM 0 HG3 GLN A 9 5.515 1.064 -18.655 1.00 2.54 H new ATOM 0 HE21 GLN A 9 5.554 4.095 -18.290 1.00 35.13 H new ATOM 0 HE22 GLN A 9 3.898 4.593 -18.652 1.00 35.13 H new ATOM 142 N LYS A 10 5.137 -2.661 -17.041 1.00 34.33 N ATOM 143 CA LYS A 10 6.056 -3.728 -17.418 1.00 43.14 C ATOM 144 C LYS A 10 5.434 -4.634 -18.476 1.00 34.35 C ATOM 145 O LYS A 10 6.085 -5.543 -18.991 1.00 5.42 O ATOM 146 CB LYS A 10 6.446 -4.553 -16.189 1.00 54.45 C ATOM 147 CG LYS A 10 7.723 -5.354 -16.374 1.00 52.43 C ATOM 148 CD LYS A 10 7.735 -6.594 -15.496 1.00 44.50 C ATOM 149 CE LYS A 10 7.633 -6.233 -14.022 1.00 24.42 C ATOM 150 NZ LYS A 10 8.793 -5.416 -13.569 1.00 30.21 N ATOM 0 H LYS A 10 4.670 -2.805 -16.146 1.00 34.33 H new ATOM 0 HA LYS A 10 6.951 -3.270 -17.838 1.00 43.14 H new ATOM 0 HB2 LYS A 10 6.567 -3.885 -15.337 1.00 54.45 H new ATOM 0 HB3 LYS A 10 5.631 -5.235 -15.946 1.00 54.45 H new ATOM 0 HG2 LYS A 10 7.822 -5.646 -17.419 1.00 52.43 H new ATOM 0 HG3 LYS A 10 8.583 -4.729 -16.135 1.00 52.43 H new ATOM 0 HD2 LYS A 10 6.904 -7.244 -15.771 1.00 44.50 H new ATOM 0 HD3 LYS A 10 8.652 -7.157 -15.671 1.00 44.50 H new ATOM 0 HE2 LYS A 10 6.710 -5.681 -13.846 1.00 24.42 H new ATOM 0 HE3 LYS A 10 7.577 -7.145 -13.428 1.00 24.42 H new ATOM 0 HZ1 LYS A 10 8.776 -5.334 -12.532 1.00 30.21 H new ATOM 0 HZ2 LYS A 10 9.678 -5.875 -13.865 1.00 30.21 H new ATOM 0 HZ3 LYS A 10 8.736 -4.468 -13.993 1.00 30.21 H new ATOM 164 N VAL A 11 4.169 -4.381 -18.795 1.00 54.44 N ATOM 165 CA VAL A 11 3.459 -5.172 -19.793 1.00 71.02 C ATOM 166 C VAL A 11 4.059 -4.974 -21.181 1.00 0.45 C ATOM 167 O VAL A 11 4.055 -5.887 -22.006 1.00 74.12 O ATOM 168 CB VAL A 11 1.963 -4.809 -19.837 1.00 35.54 C ATOM 169 CG1 VAL A 11 1.774 -3.372 -20.297 1.00 63.13 C ATOM 170 CG2 VAL A 11 1.208 -5.771 -20.742 1.00 33.33 C ATOM 0 H VAL A 11 3.614 -3.634 -18.377 1.00 54.44 H new ATOM 0 HA VAL A 11 3.564 -6.217 -19.501 1.00 71.02 H new ATOM 0 HB VAL A 11 1.556 -4.898 -18.830 1.00 35.54 H new ATOM 0 HG11 VAL A 11 0.710 -3.135 -20.322 1.00 63.13 H new ATOM 0 HG12 VAL A 11 2.280 -2.699 -19.605 1.00 63.13 H new ATOM 0 HG13 VAL A 11 2.196 -3.251 -21.295 1.00 63.13 H new ATOM 0 HG21 VAL A 11 0.152 -5.500 -20.761 1.00 33.33 H new ATOM 0 HG22 VAL A 11 1.615 -5.716 -21.752 1.00 33.33 H new ATOM 0 HG23 VAL A 11 1.315 -6.787 -20.362 1.00 33.33 H new ATOM 180 N ILE A 12 4.575 -3.775 -21.430 1.00 2.12 N ATOM 181 CA ILE A 12 5.181 -3.457 -22.717 1.00 72.10 C ATOM 182 C ILE A 12 6.471 -4.242 -22.926 1.00 61.52 C ATOM 183 O ILE A 12 6.768 -4.682 -24.037 1.00 2.34 O ATOM 184 CB ILE A 12 5.483 -1.952 -22.841 1.00 23.13 C ATOM 185 CG1 ILE A 12 6.097 -1.644 -24.208 1.00 4.22 C ATOM 186 CG2 ILE A 12 6.414 -1.505 -21.723 1.00 71.31 C ATOM 187 CD1 ILE A 12 6.588 -0.219 -24.342 1.00 65.42 C ATOM 0 H ILE A 12 4.585 -3.008 -20.758 1.00 2.12 H new ATOM 0 HA ILE A 12 4.459 -3.738 -23.484 1.00 72.10 H new ATOM 0 HB ILE A 12 4.548 -1.400 -22.751 1.00 23.13 H new ATOM 0 HG12 ILE A 12 6.930 -2.325 -24.385 1.00 4.22 H new ATOM 0 HG13 ILE A 12 5.355 -1.839 -24.983 1.00 4.22 H new ATOM 0 HG21 ILE A 12 6.618 -0.439 -21.824 1.00 71.31 H new ATOM 0 HG22 ILE A 12 5.942 -1.694 -20.759 1.00 71.31 H new ATOM 0 HG23 ILE A 12 7.349 -2.061 -21.784 1.00 71.31 H new ATOM 0 HD11 ILE A 12 7.011 -0.072 -25.336 1.00 65.42 H new ATOM 0 HD12 ILE A 12 5.754 0.468 -24.197 1.00 65.42 H new ATOM 0 HD13 ILE A 12 7.353 -0.026 -23.590 1.00 65.42 H new ATOM 199 N GLU A 13 7.233 -4.416 -21.851 1.00 33.34 N ATOM 200 CA GLU A 13 8.491 -5.150 -21.917 1.00 21.20 C ATOM 201 C GLU A 13 8.240 -6.650 -22.046 1.00 1.11 C ATOM 202 O GLU A 13 9.101 -7.396 -22.511 1.00 22.01 O ATOM 203 CB GLU A 13 9.337 -4.869 -20.674 1.00 5.42 C ATOM 204 CG GLU A 13 10.826 -5.085 -20.889 1.00 50.32 C ATOM 205 CD GLU A 13 11.531 -3.837 -21.386 1.00 32.33 C ATOM 206 OE1 GLU A 13 11.455 -2.799 -20.695 1.00 63.41 O ATOM 207 OE2 GLU A 13 12.157 -3.898 -22.464 1.00 61.51 O ATOM 0 H GLU A 13 7.001 -4.059 -20.924 1.00 33.34 H new ATOM 0 HA GLU A 13 9.033 -4.812 -22.801 1.00 21.20 H new ATOM 0 HB2 GLU A 13 9.170 -3.840 -20.356 1.00 5.42 H new ATOM 0 HB3 GLU A 13 8.999 -5.512 -19.862 1.00 5.42 H new ATOM 0 HG2 GLU A 13 11.282 -5.407 -19.952 1.00 50.32 H new ATOM 0 HG3 GLU A 13 10.972 -5.891 -21.608 1.00 50.32 H new ATOM 214 N MET A 14 7.055 -7.083 -21.630 1.00 33.41 N ATOM 215 CA MET A 14 6.690 -8.494 -21.699 1.00 53.43 C ATOM 216 C MET A 14 6.233 -8.868 -23.105 1.00 75.35 C ATOM 217 O MET A 14 6.852 -9.700 -23.770 1.00 11.55 O ATOM 218 CB MET A 14 5.583 -8.806 -20.690 1.00 61.23 C ATOM 219 CG MET A 14 5.258 -10.287 -20.584 1.00 62.41 C ATOM 220 SD MET A 14 6.314 -11.147 -19.402 1.00 61.12 S ATOM 221 CE MET A 14 7.264 -12.198 -20.498 1.00 40.24 C ATOM 0 H MET A 14 6.331 -6.478 -21.242 1.00 33.41 H new ATOM 0 HA MET A 14 7.572 -9.085 -21.453 1.00 53.43 H new ATOM 0 HB2 MET A 14 5.882 -8.437 -19.709 1.00 61.23 H new ATOM 0 HB3 MET A 14 4.681 -8.264 -20.973 1.00 61.23 H new ATOM 0 HG2 MET A 14 4.216 -10.406 -20.288 1.00 62.41 H new ATOM 0 HG3 MET A 14 5.365 -10.750 -21.565 1.00 62.41 H new ATOM 0 HE1 MET A 14 7.212 -13.229 -20.149 1.00 40.24 H new ATOM 0 HE2 MET A 14 6.856 -12.135 -21.507 1.00 40.24 H new ATOM 0 HE3 MET A 14 8.303 -11.870 -20.506 1.00 40.24 H new ATOM 231 N VAL A 15 5.144 -8.250 -23.554 1.00 24.03 N ATOM 232 CA VAL A 15 4.605 -8.518 -24.881 1.00 71.34 C ATOM 233 C VAL A 15 5.656 -8.282 -25.960 1.00 1.41 C ATOM 234 O VAL A 15 5.583 -8.851 -27.048 1.00 71.51 O ATOM 235 CB VAL A 15 3.376 -7.638 -25.176 1.00 73.20 C ATOM 236 CG1 VAL A 15 2.820 -7.943 -26.559 1.00 13.03 C ATOM 237 CG2 VAL A 15 2.311 -7.837 -24.108 1.00 55.13 C ATOM 0 H VAL A 15 4.618 -7.560 -23.017 1.00 24.03 H new ATOM 0 HA VAL A 15 4.304 -9.566 -24.894 1.00 71.34 H new ATOM 0 HB VAL A 15 3.686 -6.593 -25.158 1.00 73.20 H new ATOM 0 HG11 VAL A 15 1.952 -7.312 -26.750 1.00 13.03 H new ATOM 0 HG12 VAL A 15 3.585 -7.745 -27.310 1.00 13.03 H new ATOM 0 HG13 VAL A 15 2.524 -8.991 -26.609 1.00 13.03 H new ATOM 0 HG21 VAL A 15 1.449 -7.208 -24.332 1.00 55.13 H new ATOM 0 HG22 VAL A 15 2.003 -8.882 -24.092 1.00 55.13 H new ATOM 0 HG23 VAL A 15 2.717 -7.564 -23.134 1.00 55.13 H new ATOM 247 N ALA A 16 6.634 -7.437 -25.650 1.00 3.03 N ATOM 248 CA ALA A 16 7.703 -7.126 -26.591 1.00 74.45 C ATOM 249 C ALA A 16 8.654 -8.308 -26.752 1.00 15.31 C ATOM 250 O ALA A 16 9.341 -8.429 -27.765 1.00 73.04 O ATOM 251 CB ALA A 16 8.465 -5.891 -26.136 1.00 51.11 C ATOM 0 H ALA A 16 6.708 -6.955 -24.754 1.00 3.03 H new ATOM 0 HA ALA A 16 7.251 -6.922 -27.562 1.00 74.45 H new ATOM 0 HB1 ALA A 16 9.260 -5.671 -26.848 1.00 51.11 H new ATOM 0 HB2 ALA A 16 7.783 -5.043 -26.080 1.00 51.11 H new ATOM 0 HB3 ALA A 16 8.899 -6.073 -25.153 1.00 51.11 H new ATOM 257 N GLU A 17 8.688 -9.175 -25.745 1.00 73.11 N ATOM 258 CA GLU A 17 9.556 -10.346 -25.776 1.00 4.15 C ATOM 259 C GLU A 17 8.751 -11.614 -26.043 1.00 61.14 C ATOM 260 O GLU A 17 9.260 -12.578 -26.616 1.00 4.21 O ATOM 261 CB GLU A 17 10.315 -10.480 -24.454 1.00 20.15 C ATOM 262 CG GLU A 17 11.694 -11.100 -24.603 1.00 42.14 C ATOM 263 CD GLU A 17 12.468 -11.124 -23.299 1.00 74.53 C ATOM 264 OE1 GLU A 17 12.425 -10.115 -22.566 1.00 15.43 O ATOM 265 OE2 GLU A 17 13.116 -12.152 -23.013 1.00 33.55 O ATOM 0 H GLU A 17 8.125 -9.089 -24.899 1.00 73.11 H new ATOM 0 HA GLU A 17 10.272 -10.214 -26.587 1.00 4.15 H new ATOM 0 HB2 GLU A 17 10.417 -9.493 -24.002 1.00 20.15 H new ATOM 0 HB3 GLU A 17 9.726 -11.087 -23.766 1.00 20.15 H new ATOM 0 HG2 GLU A 17 11.592 -12.118 -24.979 1.00 42.14 H new ATOM 0 HG3 GLU A 17 12.261 -10.541 -25.347 1.00 42.14 H new ATOM 272 N LYS A 18 7.490 -11.607 -25.625 1.00 1.54 N ATOM 273 CA LYS A 18 6.612 -12.754 -25.819 1.00 21.33 C ATOM 274 C LYS A 18 6.542 -13.143 -27.292 1.00 23.10 C ATOM 275 O LYS A 18 6.848 -14.278 -27.660 1.00 43.03 O ATOM 276 CB LYS A 18 5.208 -12.443 -25.296 1.00 1.35 C ATOM 277 CG LYS A 18 4.228 -13.590 -25.464 1.00 75.31 C ATOM 278 CD LYS A 18 2.994 -13.160 -26.240 1.00 60.44 C ATOM 279 CE LYS A 18 1.969 -14.281 -26.323 1.00 71.01 C ATOM 280 NZ LYS A 18 0.579 -13.775 -26.149 1.00 61.35 N ATOM 0 H LYS A 18 7.053 -10.818 -25.149 1.00 1.54 H new ATOM 0 HA LYS A 18 7.024 -13.593 -25.259 1.00 21.33 H new ATOM 0 HB2 LYS A 18 5.272 -12.183 -24.239 1.00 1.35 H new ATOM 0 HB3 LYS A 18 4.821 -11.567 -25.817 1.00 1.35 H new ATOM 0 HG2 LYS A 18 4.717 -14.414 -25.984 1.00 75.31 H new ATOM 0 HG3 LYS A 18 3.931 -13.963 -24.484 1.00 75.31 H new ATOM 0 HD2 LYS A 18 2.546 -12.290 -25.760 1.00 60.44 H new ATOM 0 HD3 LYS A 18 3.283 -12.855 -27.246 1.00 60.44 H new ATOM 0 HE2 LYS A 18 2.055 -14.781 -27.287 1.00 71.01 H new ATOM 0 HE3 LYS A 18 2.183 -15.026 -25.557 1.00 71.01 H new ATOM 0 HZ1 LYS A 18 -0.060 -14.573 -25.958 1.00 61.35 H new ATOM 0 HZ2 LYS A 18 0.549 -13.109 -25.351 1.00 61.35 H new ATOM 0 HZ3 LYS A 18 0.275 -13.289 -27.017 1.00 61.35 H new ATOM 294 N LEU A 19 6.140 -12.195 -28.131 1.00 13.02 N ATOM 295 CA LEU A 19 6.031 -12.438 -29.565 1.00 45.12 C ATOM 296 C LEU A 19 7.018 -11.571 -30.340 1.00 44.13 C ATOM 297 O LEU A 19 6.848 -11.337 -31.536 1.00 63.30 O ATOM 298 CB LEU A 19 4.605 -12.159 -30.043 1.00 64.54 C ATOM 299 CG LEU A 19 3.978 -13.227 -30.941 1.00 0.22 C ATOM 300 CD1 LEU A 19 4.921 -13.590 -32.078 1.00 12.05 C ATOM 301 CD2 LEU A 19 3.618 -14.462 -30.129 1.00 21.24 C ATOM 0 H LEU A 19 5.884 -11.251 -27.843 1.00 13.02 H new ATOM 0 HA LEU A 19 6.271 -13.485 -29.751 1.00 45.12 H new ATOM 0 HB2 LEU A 19 3.968 -12.029 -29.168 1.00 64.54 H new ATOM 0 HB3 LEU A 19 4.603 -11.212 -30.582 1.00 64.54 H new ATOM 0 HG LEU A 19 3.063 -12.821 -31.372 1.00 0.22 H new ATOM 0 HD11 LEU A 19 4.458 -14.351 -32.706 1.00 12.05 H new ATOM 0 HD12 LEU A 19 5.128 -12.703 -32.676 1.00 12.05 H new ATOM 0 HD13 LEU A 19 5.854 -13.977 -31.668 1.00 12.05 H new ATOM 0 HD21 LEU A 19 3.173 -15.211 -30.784 1.00 21.24 H new ATOM 0 HD22 LEU A 19 4.518 -14.870 -29.669 1.00 21.24 H new ATOM 0 HD23 LEU A 19 2.904 -14.191 -29.351 1.00 21.24 H new ATOM 313 N ASN A 20 8.052 -11.098 -29.651 1.00 35.34 N ATOM 314 CA ASN A 20 9.067 -10.258 -30.275 1.00 22.22 C ATOM 315 C ASN A 20 8.427 -9.076 -30.996 1.00 3.22 C ATOM 316 O ASN A 20 8.513 -8.959 -32.219 1.00 31.35 O ATOM 317 CB ASN A 20 9.903 -11.079 -31.259 1.00 52.24 C ATOM 318 CG ASN A 20 10.711 -12.161 -30.570 1.00 42.00 C ATOM 319 OD1 ASN A 20 11.935 -12.071 -30.474 1.00 1.44 O ATOM 320 ND2 ASN A 20 10.028 -13.192 -30.087 1.00 21.23 N ATOM 0 H ASN A 20 8.209 -11.283 -28.660 1.00 35.34 H new ATOM 0 HA ASN A 20 9.717 -9.872 -29.490 1.00 22.22 H new ATOM 0 HB2 ASN A 20 9.244 -11.536 -31.998 1.00 52.24 H new ATOM 0 HB3 ASN A 20 10.577 -10.415 -31.800 1.00 52.24 H new ATOM 0 HD21 ASN A 20 10.518 -13.951 -29.613 1.00 21.23 H new ATOM 0 HD22 ASN A 20 9.014 -13.225 -30.189 1.00 21.23 H new ATOM 327 N LYS A 21 7.786 -8.200 -30.230 1.00 11.31 N ATOM 328 CA LYS A 21 7.132 -7.024 -30.793 1.00 64.34 C ATOM 329 C LYS A 21 7.850 -5.747 -30.369 1.00 40.01 C ATOM 330 O LYS A 21 8.042 -5.498 -29.179 1.00 15.52 O ATOM 331 CB LYS A 21 5.668 -6.969 -30.353 1.00 72.42 C ATOM 332 CG LYS A 21 4.722 -6.499 -31.444 1.00 51.43 C ATOM 333 CD LYS A 21 3.359 -7.158 -31.323 1.00 75.54 C ATOM 334 CE LYS A 21 2.560 -7.028 -32.611 1.00 51.22 C ATOM 335 NZ LYS A 21 1.134 -6.691 -32.348 1.00 15.24 N ATOM 0 H LYS A 21 7.705 -8.282 -29.217 1.00 11.31 H new ATOM 0 HA LYS A 21 7.175 -7.101 -31.879 1.00 64.34 H new ATOM 0 HB2 LYS A 21 5.360 -7.960 -30.019 1.00 72.42 H new ATOM 0 HB3 LYS A 21 5.580 -6.302 -29.495 1.00 72.42 H new ATOM 0 HG2 LYS A 21 4.610 -5.416 -31.388 1.00 51.43 H new ATOM 0 HG3 LYS A 21 5.151 -6.725 -32.420 1.00 51.43 H new ATOM 0 HD2 LYS A 21 3.484 -8.212 -31.076 1.00 75.54 H new ATOM 0 HD3 LYS A 21 2.805 -6.702 -30.502 1.00 75.54 H new ATOM 0 HE2 LYS A 21 3.006 -6.256 -33.238 1.00 51.22 H new ATOM 0 HE3 LYS A 21 2.615 -7.963 -33.168 1.00 51.22 H new ATOM 0 HZ1 LYS A 21 0.673 -6.413 -33.238 1.00 15.24 H new ATOM 0 HZ2 LYS A 21 0.649 -7.521 -31.951 1.00 15.24 H new ATOM 0 HZ3 LYS A 21 1.083 -5.904 -31.671 1.00 15.24 H new ATOM 349 N ASP A 22 8.243 -4.941 -31.349 1.00 61.24 N ATOM 350 CA ASP A 22 8.937 -3.688 -31.077 1.00 43.01 C ATOM 351 C ASP A 22 8.115 -2.802 -30.146 1.00 72.42 C ATOM 352 O ASP A 22 6.884 -2.825 -30.176 1.00 62.33 O ATOM 353 CB ASP A 22 9.227 -2.946 -32.383 1.00 73.30 C ATOM 354 CG ASP A 22 10.509 -2.140 -32.319 1.00 62.52 C ATOM 355 OD1 ASP A 22 10.480 -1.023 -31.763 1.00 23.24 O ATOM 356 OD2 ASP A 22 11.542 -2.627 -32.827 1.00 12.34 O ATOM 0 H ASP A 22 8.093 -5.133 -32.339 1.00 61.24 H new ATOM 0 HA ASP A 22 9.881 -3.924 -30.585 1.00 43.01 H new ATOM 0 HB2 ASP A 22 9.294 -3.666 -33.199 1.00 73.30 H new ATOM 0 HB3 ASP A 22 8.394 -2.281 -32.612 1.00 73.30 H new ATOM 361 N LYS A 23 8.803 -2.023 -29.319 1.00 33.03 N ATOM 362 CA LYS A 23 8.137 -1.129 -28.378 1.00 65.13 C ATOM 363 C LYS A 23 7.244 -0.135 -29.112 1.00 52.54 C ATOM 364 O LYS A 23 6.286 0.389 -28.545 1.00 54.31 O ATOM 365 CB LYS A 23 9.172 -0.377 -27.538 1.00 64.41 C ATOM 366 CG LYS A 23 10.233 0.327 -28.367 1.00 31.14 C ATOM 367 CD LYS A 23 10.937 1.410 -27.567 1.00 22.23 C ATOM 368 CE LYS A 23 12.069 0.836 -26.727 1.00 54.14 C ATOM 369 NZ LYS A 23 11.560 0.127 -25.521 1.00 13.54 N ATOM 0 H LYS A 23 9.822 -1.992 -29.281 1.00 33.03 H new ATOM 0 HA LYS A 23 7.513 -1.734 -27.720 1.00 65.13 H new ATOM 0 HB2 LYS A 23 8.659 0.359 -26.919 1.00 64.41 H new ATOM 0 HB3 LYS A 23 9.658 -1.080 -26.862 1.00 64.41 H new ATOM 0 HG2 LYS A 23 10.964 -0.401 -28.718 1.00 31.14 H new ATOM 0 HG3 LYS A 23 9.772 0.768 -29.251 1.00 31.14 H new ATOM 0 HD2 LYS A 23 11.333 2.166 -28.245 1.00 22.23 H new ATOM 0 HD3 LYS A 23 10.218 1.910 -26.918 1.00 22.23 H new ATOM 0 HE2 LYS A 23 12.657 0.146 -27.333 1.00 54.14 H new ATOM 0 HE3 LYS A 23 12.738 1.640 -26.420 1.00 54.14 H new ATOM 0 HZ1 LYS A 23 12.212 0.282 -24.726 1.00 13.54 H new ATOM 0 HZ2 LYS A 23 10.619 0.494 -25.274 1.00 13.54 H new ATOM 0 HZ3 LYS A 23 11.493 -0.892 -25.720 1.00 13.54 H new ATOM 383 N ALA A 24 7.563 0.120 -30.377 1.00 64.21 N ATOM 384 CA ALA A 24 6.787 1.049 -31.189 1.00 62.42 C ATOM 385 C ALA A 24 5.560 0.366 -31.782 1.00 73.54 C ATOM 386 O ALA A 24 4.779 0.988 -32.503 1.00 41.11 O ATOM 387 CB ALA A 24 7.653 1.634 -32.294 1.00 45.34 C ATOM 0 H ALA A 24 8.354 -0.304 -30.862 1.00 64.21 H new ATOM 0 HA ALA A 24 6.444 1.858 -30.544 1.00 62.42 H new ATOM 0 HB1 ALA A 24 7.061 2.326 -32.893 1.00 45.34 H new ATOM 0 HB2 ALA A 24 8.496 2.166 -31.853 1.00 45.34 H new ATOM 0 HB3 ALA A 24 8.024 0.830 -32.930 1.00 45.34 H new ATOM 393 N ILE A 25 5.396 -0.917 -31.476 1.00 12.24 N ATOM 394 CA ILE A 25 4.263 -1.683 -31.979 1.00 33.44 C ATOM 395 C ILE A 25 3.377 -2.169 -30.836 1.00 53.33 C ATOM 396 O ILE A 25 2.199 -2.468 -31.035 1.00 71.01 O ATOM 397 CB ILE A 25 4.727 -2.897 -32.805 1.00 34.40 C ATOM 398 CG1 ILE A 25 5.568 -2.438 -33.998 1.00 75.50 C ATOM 399 CG2 ILE A 25 3.528 -3.707 -33.275 1.00 73.33 C ATOM 400 CD1 ILE A 25 6.719 -3.366 -34.318 1.00 52.12 C ATOM 0 H ILE A 25 6.034 -1.447 -30.882 1.00 12.24 H new ATOM 0 HA ILE A 25 3.690 -1.014 -32.621 1.00 33.44 H new ATOM 0 HB ILE A 25 5.345 -3.534 -32.172 1.00 34.40 H new ATOM 0 HG12 ILE A 25 4.925 -2.354 -34.874 1.00 75.50 H new ATOM 0 HG13 ILE A 25 5.961 -1.442 -33.794 1.00 75.50 H new ATOM 0 HG21 ILE A 25 3.872 -4.562 -33.857 1.00 73.33 H new ATOM 0 HG22 ILE A 25 2.966 -4.060 -32.410 1.00 73.33 H new ATOM 0 HG23 ILE A 25 2.886 -3.081 -33.894 1.00 73.33 H new ATOM 0 HD11 ILE A 25 7.271 -2.979 -35.174 1.00 52.12 H new ATOM 0 HD12 ILE A 25 7.384 -3.432 -33.457 1.00 52.12 H new ATOM 0 HD13 ILE A 25 6.332 -4.357 -34.554 1.00 52.12 H new ATOM 412 N ILE A 26 3.951 -2.243 -29.640 1.00 54.52 N ATOM 413 CA ILE A 26 3.212 -2.689 -28.465 1.00 41.53 C ATOM 414 C ILE A 26 1.895 -1.932 -28.324 1.00 24.41 C ATOM 415 O ILE A 26 1.878 -0.705 -28.227 1.00 3.25 O ATOM 416 CB ILE A 26 4.038 -2.505 -27.178 1.00 55.32 C ATOM 417 CG1 ILE A 26 5.340 -3.304 -27.263 1.00 15.22 C ATOM 418 CG2 ILE A 26 3.226 -2.930 -25.963 1.00 64.35 C ATOM 419 CD1 ILE A 26 5.125 -4.790 -27.446 1.00 25.02 C ATOM 0 H ILE A 26 4.925 -2.000 -29.459 1.00 54.52 H new ATOM 0 HA ILE A 26 3.005 -3.750 -28.606 1.00 41.53 H new ATOM 0 HB ILE A 26 4.289 -1.450 -27.072 1.00 55.32 H new ATOM 0 HG12 ILE A 26 5.935 -2.926 -28.094 1.00 15.22 H new ATOM 0 HG13 ILE A 26 5.919 -3.138 -26.355 1.00 15.22 H new ATOM 0 HG21 ILE A 26 3.823 -2.794 -25.061 1.00 64.35 H new ATOM 0 HG22 ILE A 26 2.324 -2.321 -25.897 1.00 64.35 H new ATOM 0 HG23 ILE A 26 2.948 -3.980 -26.060 1.00 64.35 H new ATOM 0 HD11 ILE A 26 6.090 -5.294 -27.498 1.00 25.02 H new ATOM 0 HD12 ILE A 26 4.556 -5.182 -26.603 1.00 25.02 H new ATOM 0 HD13 ILE A 26 4.573 -4.967 -28.369 1.00 25.02 H new ATOM 431 N THR A 27 0.792 -2.674 -28.311 1.00 52.35 N ATOM 432 CA THR A 27 -0.530 -2.074 -28.181 1.00 71.21 C ATOM 433 C THR A 27 -1.489 -3.011 -27.455 1.00 53.43 C ATOM 434 O THR A 27 -1.412 -4.231 -27.600 1.00 63.14 O ATOM 435 CB THR A 27 -1.123 -1.716 -29.557 1.00 61.31 C ATOM 436 OG1 THR A 27 -0.657 -2.641 -30.547 1.00 0.54 O ATOM 437 CG2 THR A 27 -0.741 -0.300 -29.959 1.00 43.30 C ATOM 0 H THR A 27 0.788 -3.691 -28.389 1.00 52.35 H new ATOM 0 HA THR A 27 -0.407 -1.161 -27.599 1.00 71.21 H new ATOM 0 HB THR A 27 -2.209 -1.776 -29.487 1.00 61.31 H new ATOM 0 HG1 THR A 27 0.293 -2.479 -30.724 1.00 0.54 H new ATOM 0 HG21 THR A 27 -1.171 -0.070 -30.934 1.00 43.30 H new ATOM 0 HG22 THR A 27 -1.122 0.404 -29.219 1.00 43.30 H new ATOM 0 HG23 THR A 27 0.345 -0.217 -30.013 1.00 43.30 H new ATOM 445 N THR A 28 -2.395 -2.432 -26.673 1.00 74.10 N ATOM 446 CA THR A 28 -3.370 -3.215 -25.924 1.00 20.11 C ATOM 447 C THR A 28 -4.135 -4.163 -26.840 1.00 54.34 C ATOM 448 O THR A 28 -4.472 -5.281 -26.451 1.00 13.00 O ATOM 449 CB THR A 28 -4.374 -2.308 -25.189 1.00 11.54 C ATOM 450 OG1 THR A 28 -5.473 -3.086 -24.703 1.00 13.04 O ATOM 451 CG2 THR A 28 -4.890 -1.213 -26.110 1.00 42.25 C ATOM 0 H THR A 28 -2.474 -1.424 -26.542 1.00 74.10 H new ATOM 0 HA THR A 28 -2.811 -3.796 -25.190 1.00 20.11 H new ATOM 0 HB THR A 28 -3.860 -1.842 -24.349 1.00 11.54 H new ATOM 0 HG1 THR A 28 -6.106 -2.502 -24.236 1.00 13.04 H new ATOM 0 HG21 THR A 28 -5.598 -0.585 -25.568 1.00 42.25 H new ATOM 0 HG22 THR A 28 -4.054 -0.604 -26.455 1.00 42.25 H new ATOM 0 HG23 THR A 28 -5.388 -1.664 -26.968 1.00 42.25 H new ATOM 459 N ASP A 29 -4.406 -3.709 -28.059 1.00 74.11 N ATOM 460 CA ASP A 29 -5.131 -4.518 -29.032 1.00 50.15 C ATOM 461 C ASP A 29 -4.169 -5.168 -30.023 1.00 15.44 C ATOM 462 O ASP A 29 -4.545 -5.483 -31.152 1.00 21.34 O ATOM 463 CB ASP A 29 -6.152 -3.660 -29.782 1.00 4.23 C ATOM 464 CG ASP A 29 -7.254 -4.489 -30.412 1.00 3.44 C ATOM 465 OD1 ASP A 29 -8.223 -4.826 -29.700 1.00 72.21 O ATOM 466 OD2 ASP A 29 -7.147 -4.799 -31.616 1.00 72.03 O ATOM 0 H ASP A 29 -4.135 -2.786 -28.397 1.00 74.11 H new ATOM 0 HA ASP A 29 -5.657 -5.306 -28.493 1.00 50.15 H new ATOM 0 HB2 ASP A 29 -6.592 -2.939 -29.093 1.00 4.23 H new ATOM 0 HB3 ASP A 29 -5.642 -3.089 -30.558 1.00 4.23 H new ATOM 471 N SER A 30 -2.927 -5.363 -29.592 1.00 33.20 N ATOM 472 CA SER A 30 -1.910 -5.971 -30.442 1.00 52.32 C ATOM 473 C SER A 30 -2.374 -7.329 -30.958 1.00 72.51 C ATOM 474 O SER A 30 -2.737 -8.211 -30.179 1.00 14.53 O ATOM 475 CB SER A 30 -0.598 -6.126 -29.672 1.00 24.01 C ATOM 476 OG SER A 30 0.252 -5.011 -29.882 1.00 31.42 O ATOM 0 H SER A 30 -2.601 -5.109 -28.660 1.00 33.20 H new ATOM 0 HA SER A 30 -1.746 -5.314 -31.296 1.00 52.32 H new ATOM 0 HB2 SER A 30 -0.808 -6.232 -28.608 1.00 24.01 H new ATOM 0 HB3 SER A 30 -0.092 -7.038 -29.989 1.00 24.01 H new ATOM 0 HG SER A 30 -0.243 -4.305 -30.347 1.00 31.42 H new ATOM 482 N ARG A 31 -2.359 -7.491 -32.277 1.00 70.11 N ATOM 483 CA ARG A 31 -2.779 -8.741 -32.899 1.00 31.35 C ATOM 484 C ARG A 31 -1.590 -9.463 -33.527 1.00 11.44 C ATOM 485 O ARG A 31 -1.649 -9.891 -34.679 1.00 61.14 O ATOM 486 CB ARG A 31 -3.846 -8.474 -33.961 1.00 55.02 C ATOM 487 CG ARG A 31 -4.934 -7.515 -33.505 1.00 4.23 C ATOM 488 CD ARG A 31 -4.684 -6.105 -34.017 1.00 70.13 C ATOM 489 NE ARG A 31 -5.901 -5.298 -34.014 1.00 72.15 N ATOM 490 CZ ARG A 31 -6.023 -4.150 -34.671 1.00 12.21 C ATOM 491 NH1 ARG A 31 -5.007 -3.676 -35.379 1.00 75.24 N ATOM 492 NH2 ARG A 31 -7.163 -3.473 -34.620 1.00 13.22 N ATOM 0 H ARG A 31 -2.060 -6.772 -32.936 1.00 70.11 H new ATOM 0 HA ARG A 31 -3.201 -9.379 -32.123 1.00 31.35 H new ATOM 0 HB2 ARG A 31 -3.366 -8.068 -34.852 1.00 55.02 H new ATOM 0 HB3 ARG A 31 -4.305 -9.420 -34.249 1.00 55.02 H new ATOM 0 HG2 ARG A 31 -5.903 -7.866 -33.861 1.00 4.23 H new ATOM 0 HG3 ARG A 31 -4.979 -7.505 -32.416 1.00 4.23 H new ATOM 0 HD2 ARG A 31 -3.928 -5.623 -33.397 1.00 70.13 H new ATOM 0 HD3 ARG A 31 -4.283 -6.153 -35.029 1.00 70.13 H new ATOM 0 HE ARG A 31 -6.701 -5.634 -33.478 1.00 72.15 H new ATOM 0 HH11 ARG A 31 -4.129 -4.193 -35.420 1.00 75.24 H new ATOM 0 HH12 ARG A 31 -5.104 -2.794 -35.882 1.00 75.24 H new ATOM 0 HH21 ARG A 31 -7.947 -3.834 -34.076 1.00 13.22 H new ATOM 0 HH22 ARG A 31 -7.256 -2.592 -35.125 1.00 13.22 H new ATOM 506 N PHE A 32 -0.512 -9.593 -32.761 1.00 2.40 N ATOM 507 CA PHE A 32 0.692 -10.260 -33.243 1.00 32.54 C ATOM 508 C PHE A 32 0.353 -11.617 -33.854 1.00 24.01 C ATOM 509 O PHE A 32 1.001 -12.061 -34.802 1.00 63.22 O ATOM 510 CB PHE A 32 1.694 -10.439 -32.100 1.00 14.10 C ATOM 511 CG PHE A 32 1.058 -10.856 -30.805 1.00 15.33 C ATOM 512 CD1 PHE A 32 0.686 -12.174 -30.592 1.00 44.44 C ATOM 513 CD2 PHE A 32 0.830 -9.929 -29.800 1.00 22.43 C ATOM 514 CE1 PHE A 32 0.101 -12.561 -29.401 1.00 41.35 C ATOM 515 CE2 PHE A 32 0.246 -10.311 -28.607 1.00 12.44 C ATOM 516 CZ PHE A 32 -0.120 -11.627 -28.408 1.00 33.52 C ATOM 0 H PHE A 32 -0.447 -9.245 -31.804 1.00 2.40 H new ATOM 0 HA PHE A 32 1.140 -9.634 -34.015 1.00 32.54 H new ATOM 0 HB2 PHE A 32 2.433 -11.186 -32.389 1.00 14.10 H new ATOM 0 HB3 PHE A 32 2.230 -9.502 -31.947 1.00 14.10 H new ATOM 0 HD1 PHE A 32 0.855 -12.908 -31.366 1.00 44.44 H new ATOM 0 HD2 PHE A 32 1.112 -8.897 -29.951 1.00 22.43 H new ATOM 0 HE1 PHE A 32 -0.183 -13.592 -29.247 1.00 41.35 H new ATOM 0 HE2 PHE A 32 0.076 -9.580 -27.830 1.00 12.44 H new ATOM 0 HZ PHE A 32 -0.579 -11.926 -27.477 1.00 33.52 H new ATOM 526 N ILE A 33 -0.665 -12.270 -33.304 1.00 3.34 N ATOM 527 CA ILE A 33 -1.090 -13.575 -33.794 1.00 44.24 C ATOM 528 C ILE A 33 -1.407 -13.525 -35.285 1.00 43.11 C ATOM 529 O ILE A 33 -1.017 -14.413 -36.042 1.00 62.21 O ATOM 530 CB ILE A 33 -2.328 -14.086 -33.035 1.00 23.25 C ATOM 531 CG1 ILE A 33 -2.797 -15.420 -33.619 1.00 24.32 C ATOM 532 CG2 ILE A 33 -3.446 -13.056 -33.089 1.00 43.30 C ATOM 533 CD1 ILE A 33 -1.732 -16.495 -33.602 1.00 11.21 C ATOM 0 H ILE A 33 -1.211 -11.916 -32.518 1.00 3.34 H new ATOM 0 HA ILE A 33 -0.261 -14.261 -33.623 1.00 44.24 H new ATOM 0 HB ILE A 33 -2.056 -14.243 -31.991 1.00 23.25 H new ATOM 0 HG12 ILE A 33 -3.663 -15.769 -33.057 1.00 24.32 H new ATOM 0 HG13 ILE A 33 -3.126 -15.262 -34.646 1.00 24.32 H new ATOM 0 HG21 ILE A 33 -4.314 -13.432 -32.548 1.00 43.30 H new ATOM 0 HG22 ILE A 33 -3.107 -12.127 -32.630 1.00 43.30 H new ATOM 0 HG23 ILE A 33 -3.719 -12.869 -34.128 1.00 43.30 H new ATOM 0 HD11 ILE A 33 -2.135 -17.413 -34.031 1.00 11.21 H new ATOM 0 HD12 ILE A 33 -0.874 -16.166 -34.188 1.00 11.21 H new ATOM 0 HD13 ILE A 33 -1.419 -16.681 -32.575 1.00 11.21 H new ATOM 545 N GLU A 34 -2.115 -12.479 -35.699 1.00 40.04 N ATOM 546 CA GLU A 34 -2.483 -12.313 -37.101 1.00 32.25 C ATOM 547 C GLU A 34 -1.432 -11.496 -37.846 1.00 54.42 C ATOM 548 O GLU A 34 -0.867 -11.951 -38.840 1.00 44.12 O ATOM 549 CB GLU A 34 -3.849 -11.634 -37.215 1.00 15.11 C ATOM 550 CG GLU A 34 -4.402 -11.612 -38.630 1.00 43.23 C ATOM 551 CD GLU A 34 -5.159 -12.878 -38.981 1.00 14.33 C ATOM 552 OE1 GLU A 34 -5.717 -13.510 -38.060 1.00 21.32 O ATOM 553 OE2 GLU A 34 -5.195 -13.235 -40.177 1.00 21.22 O ATOM 0 H GLU A 34 -2.445 -11.735 -35.085 1.00 40.04 H new ATOM 0 HA GLU A 34 -2.538 -13.302 -37.556 1.00 32.25 H new ATOM 0 HB2 GLU A 34 -4.557 -12.149 -36.565 1.00 15.11 H new ATOM 0 HB3 GLU A 34 -3.768 -10.610 -36.850 1.00 15.11 H new ATOM 0 HG2 GLU A 34 -5.064 -10.754 -38.744 1.00 43.23 H new ATOM 0 HG3 GLU A 34 -3.581 -11.477 -39.335 1.00 43.23 H new ATOM 560 N ASP A 35 -1.178 -10.286 -37.359 1.00 65.22 N ATOM 561 CA ASP A 35 -0.195 -9.404 -37.978 1.00 61.21 C ATOM 562 C ASP A 35 1.147 -10.112 -38.137 1.00 71.44 C ATOM 563 O ASP A 35 1.688 -10.199 -39.240 1.00 43.24 O ATOM 564 CB ASP A 35 -0.020 -8.135 -37.143 1.00 3.10 C ATOM 565 CG ASP A 35 0.607 -7.004 -37.934 1.00 2.53 C ATOM 566 OD1 ASP A 35 -0.146 -6.231 -38.563 1.00 43.22 O ATOM 567 OD2 ASP A 35 1.851 -6.890 -37.922 1.00 74.25 O ATOM 0 H ASP A 35 -1.639 -9.894 -36.538 1.00 65.22 H new ATOM 0 HA ASP A 35 -0.561 -9.131 -38.968 1.00 61.21 H new ATOM 0 HB2 ASP A 35 -0.991 -7.815 -36.765 1.00 3.10 H new ATOM 0 HB3 ASP A 35 0.602 -8.357 -36.276 1.00 3.10 H new ATOM 572 N LEU A 36 1.679 -10.617 -37.030 1.00 11.24 N ATOM 573 CA LEU A 36 2.959 -11.317 -37.046 1.00 35.15 C ATOM 574 C LEU A 36 2.780 -12.768 -37.481 1.00 31.03 C ATOM 575 O LEU A 36 3.754 -13.501 -37.652 1.00 44.35 O ATOM 576 CB LEU A 36 3.609 -11.264 -35.662 1.00 35.02 C ATOM 577 CG LEU A 36 5.023 -10.686 -35.607 1.00 22.45 C ATOM 578 CD1 LEU A 36 5.060 -9.303 -36.238 1.00 22.42 C ATOM 579 CD2 LEU A 36 5.521 -10.632 -34.170 1.00 24.44 C ATOM 0 H LEU A 36 1.244 -10.555 -36.109 1.00 11.24 H new ATOM 0 HA LEU A 36 3.609 -10.819 -37.765 1.00 35.15 H new ATOM 0 HB2 LEU A 36 2.971 -10.673 -35.005 1.00 35.02 H new ATOM 0 HB3 LEU A 36 3.635 -12.275 -35.256 1.00 35.02 H new ATOM 0 HG LEU A 36 5.684 -11.340 -36.176 1.00 22.45 H new ATOM 0 HD11 LEU A 36 6.075 -8.908 -36.189 1.00 22.42 H new ATOM 0 HD12 LEU A 36 4.746 -9.370 -37.280 1.00 22.42 H new ATOM 0 HD13 LEU A 36 4.386 -8.638 -35.698 1.00 22.42 H new ATOM 0 HD21 LEU A 36 6.529 -10.218 -34.150 1.00 24.44 H new ATOM 0 HD22 LEU A 36 4.858 -10.001 -33.578 1.00 24.44 H new ATOM 0 HD23 LEU A 36 5.534 -11.638 -33.751 1.00 24.44 H new ATOM 591 N LYS A 37 1.528 -13.177 -37.660 1.00 4.23 N ATOM 592 CA LYS A 37 1.220 -14.539 -38.079 1.00 4.04 C ATOM 593 C LYS A 37 1.932 -15.555 -37.191 1.00 34.22 C ATOM 594 O LYS A 37 2.765 -16.329 -37.661 1.00 52.25 O ATOM 595 CB LYS A 37 1.626 -14.749 -39.539 1.00 63.51 C ATOM 596 CG LYS A 37 0.550 -14.350 -40.533 1.00 52.23 C ATOM 597 CD LYS A 37 -0.687 -15.222 -40.397 1.00 21.04 C ATOM 598 CE LYS A 37 -1.634 -15.034 -41.572 1.00 61.40 C ATOM 599 NZ LYS A 37 -2.396 -13.759 -41.472 1.00 42.23 N ATOM 0 H LYS A 37 0.710 -12.584 -37.521 1.00 4.23 H new ATOM 0 HA LYS A 37 0.145 -14.688 -37.982 1.00 4.04 H new ATOM 0 HB2 LYS A 37 2.529 -14.173 -39.743 1.00 63.51 H new ATOM 0 HB3 LYS A 37 1.877 -15.799 -39.690 1.00 63.51 H new ATOM 0 HG2 LYS A 37 0.279 -13.306 -40.377 1.00 52.23 H new ATOM 0 HG3 LYS A 37 0.943 -14.430 -41.547 1.00 52.23 H new ATOM 0 HD2 LYS A 37 -0.390 -16.269 -40.332 1.00 21.04 H new ATOM 0 HD3 LYS A 37 -1.204 -14.979 -39.469 1.00 21.04 H new ATOM 0 HE2 LYS A 37 -1.065 -15.045 -42.502 1.00 61.40 H new ATOM 0 HE3 LYS A 37 -2.331 -15.871 -41.614 1.00 61.40 H new ATOM 0 HZ1 LYS A 37 -2.586 -13.392 -42.426 1.00 42.23 H new ATOM 0 HZ2 LYS A 37 -3.297 -13.931 -40.982 1.00 42.23 H new ATOM 0 HZ3 LYS A 37 -1.838 -13.062 -40.938 1.00 42.23 H new ATOM 613 N ALA A 38 1.596 -15.548 -35.905 1.00 32.11 N ATOM 614 CA ALA A 38 2.200 -16.472 -34.953 1.00 11.44 C ATOM 615 C ALA A 38 1.729 -17.901 -35.200 1.00 12.25 C ATOM 616 O ALA A 38 0.569 -18.233 -34.956 1.00 33.05 O ATOM 617 CB ALA A 38 1.877 -16.046 -33.528 1.00 24.32 C ATOM 0 H ALA A 38 0.909 -14.913 -35.499 1.00 32.11 H new ATOM 0 HA ALA A 38 3.281 -16.445 -35.093 1.00 11.44 H new ATOM 0 HB1 ALA A 38 2.334 -16.744 -32.827 1.00 24.32 H new ATOM 0 HB2 ALA A 38 2.269 -15.045 -33.350 1.00 24.32 H new ATOM 0 HB3 ALA A 38 0.796 -16.043 -33.385 1.00 24.32 H new ATOM 623 N ASP A 39 2.635 -18.742 -35.685 1.00 42.21 N ATOM 624 CA ASP A 39 2.312 -20.136 -35.965 1.00 22.11 C ATOM 625 C ASP A 39 1.668 -20.799 -34.751 1.00 43.21 C ATOM 626 O ASP A 39 1.656 -20.235 -33.657 1.00 55.52 O ATOM 627 CB ASP A 39 3.572 -20.902 -36.371 1.00 61.13 C ATOM 628 CG ASP A 39 4.242 -20.308 -37.595 1.00 15.11 C ATOM 629 OD1 ASP A 39 3.623 -19.441 -38.247 1.00 2.35 O ATOM 630 OD2 ASP A 39 5.383 -20.711 -37.901 1.00 45.33 O ATOM 0 H ASP A 39 3.599 -18.483 -35.893 1.00 42.21 H new ATOM 0 HA ASP A 39 1.600 -20.160 -36.790 1.00 22.11 H new ATOM 0 HB2 ASP A 39 4.277 -20.903 -35.539 1.00 61.13 H new ATOM 0 HB3 ASP A 39 3.313 -21.942 -36.571 1.00 61.13 H new ATOM 635 N SER A 40 1.134 -21.999 -34.953 1.00 33.05 N ATOM 636 CA SER A 40 0.483 -22.737 -33.876 1.00 5.32 C ATOM 637 C SER A 40 1.517 -23.354 -32.939 1.00 2.35 C ATOM 638 O SER A 40 1.328 -23.388 -31.722 1.00 14.41 O ATOM 639 CB SER A 40 -0.418 -23.831 -34.451 1.00 21.03 C ATOM 640 OG SER A 40 -1.403 -23.282 -35.309 1.00 43.01 O ATOM 0 H SER A 40 1.139 -22.481 -35.852 1.00 33.05 H new ATOM 0 HA SER A 40 -0.127 -22.037 -33.306 1.00 5.32 H new ATOM 0 HB2 SER A 40 0.186 -24.552 -35.001 1.00 21.03 H new ATOM 0 HB3 SER A 40 -0.901 -24.373 -33.638 1.00 21.03 H new ATOM 0 HG SER A 40 -1.965 -24.002 -35.665 1.00 43.01 H new ATOM 646 N LEU A 41 2.611 -23.841 -33.513 1.00 42.14 N ATOM 647 CA LEU A 41 3.677 -24.457 -32.731 1.00 32.52 C ATOM 648 C LEU A 41 4.594 -23.397 -32.130 1.00 23.41 C ATOM 649 O LEU A 41 5.436 -23.698 -31.283 1.00 73.30 O ATOM 650 CB LEU A 41 4.489 -25.415 -33.604 1.00 71.51 C ATOM 651 CG LEU A 41 4.717 -24.975 -35.051 1.00 30.24 C ATOM 652 CD1 LEU A 41 5.290 -23.567 -35.096 1.00 65.50 C ATOM 653 CD2 LEU A 41 5.639 -25.952 -35.766 1.00 54.13 C ATOM 0 H LEU A 41 2.783 -23.821 -34.518 1.00 42.14 H new ATOM 0 HA LEU A 41 3.219 -25.018 -31.917 1.00 32.52 H new ATOM 0 HB2 LEU A 41 5.461 -25.568 -33.134 1.00 71.51 H new ATOM 0 HB3 LEU A 41 3.985 -26.381 -33.614 1.00 71.51 H new ATOM 0 HG LEU A 41 3.756 -24.971 -35.566 1.00 30.24 H new ATOM 0 HD11 LEU A 41 5.446 -23.271 -36.133 1.00 65.50 H new ATOM 0 HD12 LEU A 41 4.594 -22.875 -34.622 1.00 65.50 H new ATOM 0 HD13 LEU A 41 6.242 -23.544 -34.565 1.00 65.50 H new ATOM 0 HD21 LEU A 41 5.790 -25.623 -36.794 1.00 54.13 H new ATOM 0 HD22 LEU A 41 6.599 -25.989 -35.252 1.00 54.13 H new ATOM 0 HD23 LEU A 41 5.189 -26.945 -35.765 1.00 54.13 H new ATOM 665 N ASP A 42 4.425 -22.156 -32.572 1.00 34.31 N ATOM 666 CA ASP A 42 5.235 -21.050 -32.075 1.00 61.35 C ATOM 667 C ASP A 42 4.707 -20.548 -30.735 1.00 71.42 C ATOM 668 O ASP A 42 5.472 -20.338 -29.793 1.00 74.00 O ATOM 669 CB ASP A 42 5.253 -19.907 -33.091 1.00 50.12 C ATOM 670 CG ASP A 42 6.327 -20.087 -34.146 1.00 52.43 C ATOM 671 OD1 ASP A 42 6.917 -21.185 -34.212 1.00 31.53 O ATOM 672 OD2 ASP A 42 6.576 -19.129 -34.907 1.00 44.41 O ATOM 0 H ASP A 42 3.734 -21.890 -33.274 1.00 34.31 H new ATOM 0 HA ASP A 42 6.252 -21.414 -31.930 1.00 61.35 H new ATOM 0 HB2 ASP A 42 4.279 -19.840 -33.576 1.00 50.12 H new ATOM 0 HB3 ASP A 42 5.415 -18.964 -32.569 1.00 50.12 H new ATOM 677 N THR A 43 3.394 -20.357 -30.657 1.00 14.25 N ATOM 678 CA THR A 43 2.763 -19.877 -29.433 1.00 61.52 C ATOM 679 C THR A 43 3.137 -20.753 -28.243 1.00 12.15 C ATOM 680 O THR A 43 3.157 -20.291 -27.102 1.00 4.04 O ATOM 681 CB THR A 43 1.229 -19.842 -29.568 1.00 41.04 C ATOM 682 OG1 THR A 43 0.799 -20.818 -30.523 1.00 72.35 O ATOM 683 CG2 THR A 43 0.756 -18.462 -29.998 1.00 55.31 C ATOM 0 H THR A 43 2.747 -20.527 -31.427 1.00 14.25 H new ATOM 0 HA THR A 43 3.128 -18.864 -29.265 1.00 61.52 H new ATOM 0 HB THR A 43 0.795 -20.071 -28.595 1.00 41.04 H new ATOM 0 HG1 THR A 43 -0.177 -20.790 -30.602 1.00 72.35 H new ATOM 0 HG21 THR A 43 -0.330 -18.461 -30.087 1.00 55.31 H new ATOM 0 HG22 THR A 43 1.060 -17.725 -29.254 1.00 55.31 H new ATOM 0 HG23 THR A 43 1.199 -18.209 -30.961 1.00 55.31 H new ATOM 691 N VAL A 44 3.433 -22.020 -28.515 1.00 55.11 N ATOM 692 CA VAL A 44 3.808 -22.960 -27.466 1.00 33.21 C ATOM 693 C VAL A 44 4.948 -22.410 -26.616 1.00 55.43 C ATOM 694 O VAL A 44 4.813 -22.260 -25.402 1.00 61.14 O ATOM 695 CB VAL A 44 4.231 -24.319 -28.055 1.00 0.11 C ATOM 696 CG1 VAL A 44 4.552 -25.306 -26.943 1.00 61.33 C ATOM 697 CG2 VAL A 44 3.143 -24.866 -28.967 1.00 45.33 C ATOM 0 H VAL A 44 3.420 -22.419 -29.454 1.00 55.11 H new ATOM 0 HA VAL A 44 2.928 -23.102 -26.839 1.00 33.21 H new ATOM 0 HB VAL A 44 5.133 -24.173 -28.650 1.00 0.11 H new ATOM 0 HG11 VAL A 44 4.849 -26.260 -27.378 1.00 61.33 H new ATOM 0 HG12 VAL A 44 5.367 -24.916 -26.334 1.00 61.33 H new ATOM 0 HG13 VAL A 44 3.670 -25.450 -26.319 1.00 61.33 H new ATOM 0 HG21 VAL A 44 3.459 -25.826 -29.374 1.00 45.33 H new ATOM 0 HG22 VAL A 44 2.223 -24.998 -28.397 1.00 45.33 H new ATOM 0 HG23 VAL A 44 2.967 -24.166 -29.784 1.00 45.33 H new ATOM 707 N GLU A 45 6.069 -22.109 -27.264 1.00 22.34 N ATOM 708 CA GLU A 45 7.233 -21.575 -26.566 1.00 61.24 C ATOM 709 C GLU A 45 7.092 -20.072 -26.345 1.00 43.11 C ATOM 710 O GLU A 45 7.420 -19.557 -25.275 1.00 54.11 O ATOM 711 CB GLU A 45 8.509 -21.868 -27.359 1.00 11.21 C ATOM 712 CG GLU A 45 9.755 -21.237 -26.761 1.00 1.11 C ATOM 713 CD GLU A 45 11.021 -21.989 -27.123 1.00 70.11 C ATOM 714 OE1 GLU A 45 11.267 -22.190 -28.331 1.00 23.34 O ATOM 715 OE2 GLU A 45 11.765 -22.376 -26.198 1.00 65.31 O ATOM 0 H GLU A 45 6.196 -22.226 -28.269 1.00 22.34 H new ATOM 0 HA GLU A 45 7.298 -22.063 -25.594 1.00 61.24 H new ATOM 0 HB2 GLU A 45 8.651 -22.947 -27.417 1.00 11.21 H new ATOM 0 HB3 GLU A 45 8.383 -21.507 -28.380 1.00 11.21 H new ATOM 0 HG2 GLU A 45 9.838 -20.207 -27.107 1.00 1.11 H new ATOM 0 HG3 GLU A 45 9.655 -21.202 -25.676 1.00 1.11 H new ATOM 722 N LEU A 46 6.604 -19.373 -27.364 1.00 32.30 N ATOM 723 CA LEU A 46 6.420 -17.928 -27.283 1.00 34.55 C ATOM 724 C LEU A 46 5.619 -17.551 -26.040 1.00 41.23 C ATOM 725 O LEU A 46 6.084 -16.780 -25.201 1.00 22.52 O ATOM 726 CB LEU A 46 5.710 -17.413 -28.536 1.00 64.52 C ATOM 727 CG LEU A 46 6.524 -17.451 -29.831 1.00 14.04 C ATOM 728 CD1 LEU A 46 5.699 -16.925 -30.995 1.00 15.02 C ATOM 729 CD2 LEU A 46 7.807 -16.647 -29.678 1.00 33.23 C ATOM 0 H LEU A 46 6.329 -19.784 -28.256 1.00 32.30 H new ATOM 0 HA LEU A 46 7.404 -17.464 -27.214 1.00 34.55 H new ATOM 0 HB2 LEU A 46 4.803 -18.000 -28.683 1.00 64.52 H new ATOM 0 HB3 LEU A 46 5.398 -16.384 -28.356 1.00 64.52 H new ATOM 0 HG LEU A 46 6.791 -18.487 -30.040 1.00 14.04 H new ATOM 0 HD11 LEU A 46 6.294 -16.959 -31.908 1.00 15.02 H new ATOM 0 HD12 LEU A 46 4.809 -17.542 -31.118 1.00 15.02 H new ATOM 0 HD13 LEU A 46 5.402 -15.896 -30.794 1.00 15.02 H new ATOM 0 HD21 LEU A 46 8.373 -16.685 -30.609 1.00 33.23 H new ATOM 0 HD22 LEU A 46 7.561 -15.611 -29.445 1.00 33.23 H new ATOM 0 HD23 LEU A 46 8.406 -17.068 -28.871 1.00 33.23 H new ATOM 741 N MET A 47 4.414 -18.100 -25.929 1.00 61.25 N ATOM 742 CA MET A 47 3.550 -17.823 -24.787 1.00 64.35 C ATOM 743 C MET A 47 4.157 -18.375 -23.501 1.00 74.00 C ATOM 744 O MET A 47 4.009 -17.784 -22.432 1.00 24.14 O ATOM 745 CB MET A 47 2.163 -18.428 -25.012 1.00 21.15 C ATOM 746 CG MET A 47 1.472 -17.916 -26.265 1.00 63.21 C ATOM 747 SD MET A 47 -0.250 -18.438 -26.371 1.00 74.01 S ATOM 748 CE MET A 47 -0.100 -20.182 -25.991 1.00 1.21 C ATOM 0 H MET A 47 4.014 -18.739 -26.616 1.00 61.25 H new ATOM 0 HA MET A 47 3.455 -16.742 -24.688 1.00 64.35 H new ATOM 0 HB2 MET A 47 2.255 -19.512 -25.075 1.00 21.15 H new ATOM 0 HB3 MET A 47 1.536 -18.211 -24.147 1.00 21.15 H new ATOM 0 HG2 MET A 47 1.519 -16.827 -26.282 1.00 63.21 H new ATOM 0 HG3 MET A 47 2.010 -18.272 -27.143 1.00 63.21 H new ATOM 0 HE1 MET A 47 -0.947 -20.721 -26.415 1.00 1.21 H new ATOM 0 HE2 MET A 47 0.826 -20.569 -26.417 1.00 1.21 H new ATOM 0 HE3 MET A 47 -0.087 -20.319 -24.910 1.00 1.21 H new ATOM 758 N MET A 48 4.838 -19.511 -23.613 1.00 11.44 N ATOM 759 CA MET A 48 5.467 -20.141 -22.458 1.00 12.34 C ATOM 760 C MET A 48 6.417 -19.172 -21.761 1.00 23.54 C ATOM 761 O MET A 48 6.593 -19.229 -20.544 1.00 4.11 O ATOM 762 CB MET A 48 6.225 -21.399 -22.886 1.00 1.42 C ATOM 763 CG MET A 48 7.065 -22.010 -21.776 1.00 14.44 C ATOM 764 SD MET A 48 6.061 -22.700 -20.446 1.00 4.21 S ATOM 765 CE MET A 48 7.178 -22.529 -19.056 1.00 12.22 C ATOM 0 H MET A 48 4.968 -20.014 -24.491 1.00 11.44 H new ATOM 0 HA MET A 48 4.682 -20.421 -21.755 1.00 12.34 H new ATOM 0 HB2 MET A 48 5.510 -22.141 -23.240 1.00 1.42 H new ATOM 0 HB3 MET A 48 6.873 -21.154 -23.728 1.00 1.42 H new ATOM 0 HG2 MET A 48 7.697 -22.794 -22.193 1.00 14.44 H new ATOM 0 HG3 MET A 48 7.729 -21.249 -21.367 1.00 14.44 H new ATOM 0 HE1 MET A 48 7.151 -23.437 -18.454 1.00 12.22 H new ATOM 0 HE2 MET A 48 8.192 -22.366 -19.422 1.00 12.22 H new ATOM 0 HE3 MET A 48 6.872 -21.680 -18.445 1.00 12.22 H new ATOM 775 N ALA A 49 7.028 -18.285 -22.540 1.00 35.44 N ATOM 776 CA ALA A 49 7.958 -17.304 -21.996 1.00 65.24 C ATOM 777 C ALA A 49 7.273 -16.405 -20.973 1.00 50.45 C ATOM 778 O ALA A 49 7.934 -15.757 -20.161 1.00 51.44 O ATOM 779 CB ALA A 49 8.559 -16.469 -23.118 1.00 22.34 C ATOM 0 H ALA A 49 6.895 -18.226 -23.550 1.00 35.44 H new ATOM 0 HA ALA A 49 8.759 -17.842 -21.488 1.00 65.24 H new ATOM 0 HB1 ALA A 49 9.252 -15.740 -22.698 1.00 22.34 H new ATOM 0 HB2 ALA A 49 9.093 -17.120 -23.810 1.00 22.34 H new ATOM 0 HB3 ALA A 49 7.763 -15.948 -23.650 1.00 22.34 H new ATOM 785 N ILE A 50 5.946 -16.369 -21.019 1.00 75.31 N ATOM 786 CA ILE A 50 5.171 -15.549 -20.096 1.00 25.24 C ATOM 787 C ILE A 50 5.058 -16.217 -18.729 1.00 65.14 C ATOM 788 O ILE A 50 4.848 -15.550 -17.717 1.00 51.44 O ATOM 789 CB ILE A 50 3.757 -15.273 -20.638 1.00 52.01 C ATOM 790 CG1 ILE A 50 3.835 -14.513 -21.964 1.00 73.40 C ATOM 791 CG2 ILE A 50 2.943 -14.489 -19.620 1.00 34.35 C ATOM 792 CD1 ILE A 50 4.433 -13.130 -21.834 1.00 31.12 C ATOM 0 H ILE A 50 5.385 -16.898 -21.686 1.00 75.31 H new ATOM 0 HA ILE A 50 5.702 -14.603 -19.993 1.00 25.24 H new ATOM 0 HB ILE A 50 3.260 -16.227 -20.815 1.00 52.01 H new ATOM 0 HG12 ILE A 50 4.429 -15.092 -22.671 1.00 73.40 H new ATOM 0 HG13 ILE A 50 2.833 -14.429 -22.384 1.00 73.40 H new ATOM 0 HG21 ILE A 50 1.946 -14.302 -20.018 1.00 34.35 H new ATOM 0 HG22 ILE A 50 2.863 -15.064 -18.697 1.00 34.35 H new ATOM 0 HG23 ILE A 50 3.436 -13.539 -19.414 1.00 34.35 H new ATOM 0 HD11 ILE A 50 4.457 -12.650 -22.813 1.00 31.12 H new ATOM 0 HD12 ILE A 50 3.826 -12.534 -21.152 1.00 31.12 H new ATOM 0 HD13 ILE A 50 5.448 -13.208 -21.443 1.00 31.12 H new ATOM 804 N GLU A 51 5.202 -17.539 -18.709 1.00 53.41 N ATOM 805 CA GLU A 51 5.117 -18.296 -17.466 1.00 75.53 C ATOM 806 C GLU A 51 6.455 -18.291 -16.733 1.00 14.33 C ATOM 807 O GLU A 51 6.503 -18.177 -15.508 1.00 24.22 O ATOM 808 CB GLU A 51 4.684 -19.737 -17.750 1.00 0.43 C ATOM 809 CG GLU A 51 3.183 -19.899 -17.923 1.00 2.55 C ATOM 810 CD GLU A 51 2.692 -19.391 -19.264 1.00 43.14 C ATOM 811 OE1 GLU A 51 2.783 -20.148 -20.254 1.00 1.13 O ATOM 812 OE2 GLU A 51 2.218 -18.238 -19.326 1.00 12.54 O ATOM 0 H GLU A 51 5.378 -18.106 -19.538 1.00 53.41 H new ATOM 0 HA GLU A 51 4.372 -17.818 -16.830 1.00 75.53 H new ATOM 0 HB2 GLU A 51 5.185 -20.087 -18.653 1.00 0.43 H new ATOM 0 HB3 GLU A 51 5.018 -20.376 -16.932 1.00 0.43 H new ATOM 0 HG2 GLU A 51 2.921 -20.952 -17.819 1.00 2.55 H new ATOM 0 HG3 GLU A 51 2.669 -19.363 -17.125 1.00 2.55 H new ATOM 819 N VAL A 52 7.539 -18.415 -17.491 1.00 42.43 N ATOM 820 CA VAL A 52 8.878 -18.423 -16.915 1.00 24.32 C ATOM 821 C VAL A 52 9.305 -17.021 -16.494 1.00 35.42 C ATOM 822 O VAL A 52 10.190 -16.857 -15.655 1.00 33.30 O ATOM 823 CB VAL A 52 9.913 -18.986 -17.907 1.00 60.13 C ATOM 824 CG1 VAL A 52 9.696 -20.477 -18.117 1.00 54.14 C ATOM 825 CG2 VAL A 52 9.844 -18.237 -19.230 1.00 23.33 C ATOM 0 H VAL A 52 7.516 -18.511 -18.506 1.00 42.43 H new ATOM 0 HA VAL A 52 8.840 -19.067 -16.036 1.00 24.32 H new ATOM 0 HB VAL A 52 10.909 -18.844 -17.486 1.00 60.13 H new ATOM 0 HG11 VAL A 52 10.437 -20.857 -18.821 1.00 54.14 H new ATOM 0 HG12 VAL A 52 9.800 -20.997 -17.165 1.00 54.14 H new ATOM 0 HG13 VAL A 52 8.696 -20.646 -18.516 1.00 54.14 H new ATOM 0 HG21 VAL A 52 10.582 -18.647 -19.919 1.00 23.33 H new ATOM 0 HG22 VAL A 52 8.847 -18.346 -19.658 1.00 23.33 H new ATOM 0 HG23 VAL A 52 10.053 -17.181 -19.061 1.00 23.33 H new ATOM 835 N GLU A 53 8.668 -16.013 -17.082 1.00 33.51 N ATOM 836 CA GLU A 53 8.982 -14.625 -16.767 1.00 51.33 C ATOM 837 C GLU A 53 8.212 -14.159 -15.535 1.00 4.43 C ATOM 838 O GLU A 53 8.802 -13.682 -14.565 1.00 2.31 O ATOM 839 CB GLU A 53 8.654 -13.722 -17.958 1.00 40.04 C ATOM 840 CG GLU A 53 9.078 -12.276 -17.761 1.00 72.21 C ATOM 841 CD GLU A 53 10.441 -12.152 -17.108 1.00 52.33 C ATOM 842 OE1 GLU A 53 11.453 -12.188 -17.839 1.00 22.33 O ATOM 843 OE2 GLU A 53 10.495 -12.018 -15.868 1.00 43.01 O ATOM 0 H GLU A 53 7.932 -16.132 -17.778 1.00 33.51 H new ATOM 0 HA GLU A 53 10.049 -14.560 -16.554 1.00 51.33 H new ATOM 0 HB2 GLU A 53 9.143 -14.117 -18.848 1.00 40.04 H new ATOM 0 HB3 GLU A 53 7.580 -13.755 -18.143 1.00 40.04 H new ATOM 0 HG2 GLU A 53 9.095 -11.771 -18.727 1.00 72.21 H new ATOM 0 HG3 GLU A 53 8.337 -11.764 -17.147 1.00 72.21 H new ATOM 850 N TYR A 54 6.892 -14.300 -15.581 1.00 4.43 N ATOM 851 CA TYR A 54 6.041 -13.891 -14.470 1.00 11.40 C ATOM 852 C TYR A 54 6.107 -14.903 -13.331 1.00 23.40 C ATOM 853 O TYR A 54 5.855 -14.571 -12.174 1.00 1.13 O ATOM 854 CB TYR A 54 4.594 -13.730 -14.941 1.00 25.11 C ATOM 855 CG TYR A 54 4.289 -12.359 -15.501 1.00 74.42 C ATOM 856 CD1 TYR A 54 4.391 -11.224 -14.707 1.00 43.14 C ATOM 857 CD2 TYR A 54 3.898 -12.200 -16.825 1.00 72.11 C ATOM 858 CE1 TYR A 54 4.112 -9.970 -15.215 1.00 41.11 C ATOM 859 CE2 TYR A 54 3.618 -10.950 -17.342 1.00 0.33 C ATOM 860 CZ TYR A 54 3.726 -9.838 -16.533 1.00 1.13 C ATOM 861 OH TYR A 54 3.448 -8.590 -17.043 1.00 24.35 O ATOM 0 H TYR A 54 6.388 -14.694 -16.375 1.00 4.43 H new ATOM 0 HA TYR A 54 6.405 -12.932 -14.101 1.00 11.40 H new ATOM 0 HB2 TYR A 54 4.383 -14.480 -15.703 1.00 25.11 H new ATOM 0 HB3 TYR A 54 3.924 -13.929 -14.104 1.00 25.11 H new ATOM 0 HD1 TYR A 54 4.694 -11.323 -13.675 1.00 43.14 H new ATOM 0 HD2 TYR A 54 3.812 -13.069 -17.461 1.00 72.11 H new ATOM 0 HE1 TYR A 54 4.196 -9.098 -14.584 1.00 41.11 H new ATOM 0 HE2 TYR A 54 3.316 -10.844 -18.374 1.00 0.33 H new ATOM 0 HH TYR A 54 3.192 -8.671 -17.985 1.00 24.35 H new ATOM 871 N GLY A 55 6.450 -16.143 -13.669 1.00 51.00 N ATOM 872 CA GLY A 55 6.544 -17.186 -12.665 1.00 24.51 C ATOM 873 C GLY A 55 5.188 -17.602 -12.131 1.00 10.21 C ATOM 874 O GLY A 55 5.039 -17.869 -10.938 1.00 75.12 O ATOM 0 H GLY A 55 6.664 -16.443 -14.620 1.00 51.00 H new ATOM 0 HA2 GLY A 55 7.044 -18.054 -13.094 1.00 24.51 H new ATOM 0 HA3 GLY A 55 7.164 -16.836 -11.840 1.00 24.51 H new ATOM 878 N ILE A 56 4.197 -17.655 -13.014 1.00 50.44 N ATOM 879 CA ILE A 56 2.846 -18.040 -12.625 1.00 3.45 C ATOM 880 C ILE A 56 2.316 -19.160 -13.513 1.00 11.31 C ATOM 881 O ILE A 56 2.764 -19.332 -14.647 1.00 11.33 O ATOM 882 CB ILE A 56 1.878 -16.844 -12.692 1.00 42.35 C ATOM 883 CG1 ILE A 56 2.029 -16.113 -14.028 1.00 74.14 C ATOM 884 CG2 ILE A 56 2.129 -15.893 -11.531 1.00 53.15 C ATOM 885 CD1 ILE A 56 1.066 -14.958 -14.197 1.00 64.21 C ATOM 0 H ILE A 56 4.304 -17.436 -14.004 1.00 50.44 H new ATOM 0 HA ILE A 56 2.903 -18.393 -11.595 1.00 3.45 H new ATOM 0 HB ILE A 56 0.857 -17.217 -12.616 1.00 42.35 H new ATOM 0 HG12 ILE A 56 3.050 -15.740 -14.116 1.00 74.14 H new ATOM 0 HG13 ILE A 56 1.878 -16.823 -14.841 1.00 74.14 H new ATOM 0 HG21 ILE A 56 1.437 -15.053 -11.593 1.00 53.15 H new ATOM 0 HG22 ILE A 56 1.977 -16.420 -10.589 1.00 53.15 H new ATOM 0 HG23 ILE A 56 3.153 -15.523 -11.578 1.00 53.15 H new ATOM 0 HD11 ILE A 56 1.230 -14.487 -15.166 1.00 64.21 H new ATOM 0 HD12 ILE A 56 0.042 -15.327 -14.142 1.00 64.21 H new ATOM 0 HD13 ILE A 56 1.232 -14.227 -13.405 1.00 64.21 H new ATOM 897 N ASP A 57 1.358 -19.918 -12.991 1.00 40.10 N ATOM 898 CA ASP A 57 0.763 -21.020 -13.738 1.00 24.43 C ATOM 899 C ASP A 57 -0.368 -20.523 -14.632 1.00 31.30 C ATOM 900 O ASP A 57 -1.369 -19.995 -14.147 1.00 0.20 O ATOM 901 CB ASP A 57 0.239 -22.090 -12.778 1.00 65.23 C ATOM 902 CG ASP A 57 1.303 -23.103 -12.404 1.00 64.31 C ATOM 903 OD1 ASP A 57 2.080 -22.830 -11.465 1.00 14.55 O ATOM 904 OD2 ASP A 57 1.359 -24.170 -13.050 1.00 63.40 O ATOM 0 H ASP A 57 0.977 -19.790 -12.054 1.00 40.10 H new ATOM 0 HA ASP A 57 1.536 -21.457 -14.371 1.00 24.43 H new ATOM 0 HB2 ASP A 57 -0.136 -21.611 -11.874 1.00 65.23 H new ATOM 0 HB3 ASP A 57 -0.604 -22.606 -13.238 1.00 65.23 H new ATOM 909 N ILE A 58 -0.201 -20.695 -15.939 1.00 35.41 N ATOM 910 CA ILE A 58 -1.209 -20.264 -16.900 1.00 62.22 C ATOM 911 C ILE A 58 -1.401 -21.304 -17.999 1.00 31.23 C ATOM 912 O ILE A 58 -0.674 -21.337 -18.991 1.00 44.45 O ATOM 913 CB ILE A 58 -0.832 -18.917 -17.544 1.00 61.05 C ATOM 914 CG1 ILE A 58 -0.670 -17.840 -16.469 1.00 72.35 C ATOM 915 CG2 ILE A 58 -1.885 -18.504 -18.562 1.00 2.41 C ATOM 916 CD1 ILE A 58 0.005 -16.583 -16.971 1.00 13.33 C ATOM 0 H ILE A 58 0.622 -21.129 -16.357 1.00 35.41 H new ATOM 0 HA ILE A 58 -2.142 -20.146 -16.348 1.00 62.22 H new ATOM 0 HB ILE A 58 0.120 -19.032 -18.062 1.00 61.05 H new ATOM 0 HG12 ILE A 58 -1.652 -17.582 -16.073 1.00 72.35 H new ATOM 0 HG13 ILE A 58 -0.090 -18.248 -15.641 1.00 72.35 H new ATOM 0 HG21 ILE A 58 -1.605 -17.550 -19.009 1.00 2.41 H new ATOM 0 HG22 ILE A 58 -1.955 -19.263 -19.341 1.00 2.41 H new ATOM 0 HG23 ILE A 58 -2.850 -18.403 -18.066 1.00 2.41 H new ATOM 0 HD11 ILE A 58 0.086 -15.864 -16.156 1.00 13.33 H new ATOM 0 HD12 ILE A 58 1.001 -16.827 -17.340 1.00 13.33 H new ATOM 0 HD13 ILE A 58 -0.585 -16.151 -17.779 1.00 13.33 H new ATOM 928 N PRO A 59 -2.406 -22.175 -17.820 1.00 4.11 N ATOM 929 CA PRO A 59 -2.719 -23.231 -18.787 1.00 31.12 C ATOM 930 C PRO A 59 -3.300 -22.677 -20.083 1.00 51.30 C ATOM 931 O PRO A 59 -3.732 -21.525 -20.138 1.00 75.30 O ATOM 932 CB PRO A 59 -3.760 -24.083 -18.056 1.00 24.50 C ATOM 933 CG PRO A 59 -4.393 -23.153 -17.080 1.00 20.54 C ATOM 934 CD PRO A 59 -3.313 -22.195 -16.660 1.00 40.23 C ATOM 0 HA PRO A 59 -1.830 -23.784 -19.088 1.00 31.12 H new ATOM 0 HB2 PRO A 59 -4.496 -24.490 -18.749 1.00 24.50 H new ATOM 0 HB3 PRO A 59 -3.295 -24.930 -17.551 1.00 24.50 H new ATOM 0 HG2 PRO A 59 -5.230 -22.623 -17.533 1.00 20.54 H new ATOM 0 HG3 PRO A 59 -4.787 -23.697 -16.222 1.00 20.54 H new ATOM 0 HD2 PRO A 59 -3.715 -21.204 -16.447 1.00 40.23 H new ATOM 0 HD3 PRO A 59 -2.804 -22.533 -15.758 1.00 40.23 H new ATOM 942 N ASP A 60 -3.308 -23.503 -21.123 1.00 45.44 N ATOM 943 CA ASP A 60 -3.837 -23.095 -22.420 1.00 12.05 C ATOM 944 C ASP A 60 -5.227 -22.484 -22.271 1.00 0.33 C ATOM 945 O ASP A 60 -5.565 -21.512 -22.948 1.00 25.52 O ATOM 946 CB ASP A 60 -3.892 -24.291 -23.371 1.00 61.11 C ATOM 947 CG ASP A 60 -2.519 -24.867 -23.657 1.00 43.41 C ATOM 948 OD1 ASP A 60 -1.591 -24.078 -23.935 1.00 24.22 O ATOM 949 OD2 ASP A 60 -2.372 -26.105 -23.602 1.00 61.33 O ATOM 0 H ASP A 60 -2.954 -24.459 -21.094 1.00 45.44 H new ATOM 0 HA ASP A 60 -3.170 -22.340 -22.836 1.00 12.05 H new ATOM 0 HB2 ASP A 60 -4.525 -25.066 -22.939 1.00 61.11 H new ATOM 0 HB3 ASP A 60 -4.357 -23.985 -24.308 1.00 61.11 H new ATOM 954 N ASP A 61 -6.029 -23.059 -21.382 1.00 23.44 N ATOM 955 CA ASP A 61 -7.382 -22.572 -21.144 1.00 12.53 C ATOM 956 C ASP A 61 -7.369 -21.091 -20.776 1.00 74.01 C ATOM 957 O ASP A 61 -8.265 -20.340 -21.159 1.00 14.53 O ATOM 958 CB ASP A 61 -8.051 -23.380 -20.031 1.00 24.31 C ATOM 959 CG ASP A 61 -8.461 -24.766 -20.489 1.00 22.22 C ATOM 960 OD1 ASP A 61 -9.555 -24.898 -21.076 1.00 53.42 O ATOM 961 OD2 ASP A 61 -7.687 -25.719 -20.261 1.00 30.13 O ATOM 0 H ASP A 61 -5.765 -23.864 -20.814 1.00 23.44 H new ATOM 0 HA ASP A 61 -7.953 -22.695 -22.064 1.00 12.53 H new ATOM 0 HB2 ASP A 61 -7.367 -23.467 -19.187 1.00 24.31 H new ATOM 0 HB3 ASP A 61 -8.930 -22.843 -19.674 1.00 24.31 H new ATOM 966 N GLU A 62 -6.348 -20.680 -20.031 1.00 30.32 N ATOM 967 CA GLU A 62 -6.221 -19.290 -19.610 1.00 43.12 C ATOM 968 C GLU A 62 -5.124 -18.581 -20.399 1.00 62.04 C ATOM 969 O GLU A 62 -4.708 -17.477 -20.050 1.00 3.11 O ATOM 970 CB GLU A 62 -5.918 -19.213 -18.112 1.00 43.34 C ATOM 971 CG GLU A 62 -6.919 -19.962 -17.249 1.00 64.34 C ATOM 972 CD GLU A 62 -8.249 -19.243 -17.140 1.00 2.40 C ATOM 973 OE1 GLU A 62 -8.945 -19.124 -18.170 1.00 43.42 O ATOM 974 OE2 GLU A 62 -8.594 -18.798 -16.025 1.00 62.52 O ATOM 0 H GLU A 62 -5.597 -21.289 -19.707 1.00 30.32 H new ATOM 0 HA GLU A 62 -7.169 -18.789 -19.808 1.00 43.12 H new ATOM 0 HB2 GLU A 62 -4.922 -19.616 -17.930 1.00 43.34 H new ATOM 0 HB3 GLU A 62 -5.899 -18.167 -17.807 1.00 43.34 H new ATOM 0 HG2 GLU A 62 -7.081 -20.956 -17.666 1.00 64.34 H new ATOM 0 HG3 GLU A 62 -6.502 -20.099 -16.251 1.00 64.34 H new ATOM 981 N ALA A 63 -4.660 -19.225 -21.465 1.00 43.14 N ATOM 982 CA ALA A 63 -3.613 -18.657 -22.305 1.00 43.43 C ATOM 983 C ALA A 63 -4.126 -17.448 -23.080 1.00 52.22 C ATOM 984 O ALA A 63 -3.349 -16.710 -23.687 1.00 11.31 O ATOM 985 CB ALA A 63 -3.074 -19.710 -23.262 1.00 50.43 C ATOM 0 H ALA A 63 -4.993 -20.141 -21.767 1.00 43.14 H new ATOM 0 HA ALA A 63 -2.803 -18.323 -21.657 1.00 43.43 H new ATOM 0 HB1 ALA A 63 -2.293 -19.272 -23.883 1.00 50.43 H new ATOM 0 HB2 ALA A 63 -2.660 -20.542 -22.692 1.00 50.43 H new ATOM 0 HB3 ALA A 63 -3.882 -20.072 -23.897 1.00 50.43 H new ATOM 991 N THR A 64 -5.441 -17.250 -23.057 1.00 63.51 N ATOM 992 CA THR A 64 -6.058 -16.132 -23.759 1.00 32.41 C ATOM 993 C THR A 64 -6.488 -15.042 -22.785 1.00 15.23 C ATOM 994 O THR A 64 -6.865 -13.943 -23.193 1.00 50.01 O ATOM 995 CB THR A 64 -7.283 -16.588 -24.575 1.00 23.53 C ATOM 996 OG1 THR A 64 -8.291 -17.103 -23.698 1.00 54.21 O ATOM 997 CG2 THR A 64 -6.892 -17.654 -25.587 1.00 61.51 C ATOM 0 H THR A 64 -6.099 -17.850 -22.559 1.00 63.51 H new ATOM 0 HA THR A 64 -5.306 -15.732 -24.439 1.00 32.41 H new ATOM 0 HB THR A 64 -7.676 -15.725 -25.113 1.00 23.53 H new ATOM 0 HG1 THR A 64 -9.067 -17.389 -24.224 1.00 54.21 H new ATOM 0 HG21 THR A 64 -7.773 -17.961 -26.151 1.00 61.51 H new ATOM 0 HG22 THR A 64 -6.145 -17.250 -26.271 1.00 61.51 H new ATOM 0 HG23 THR A 64 -6.477 -18.516 -25.065 1.00 61.51 H new ATOM 1005 N LYS A 65 -6.430 -15.351 -21.494 1.00 21.31 N ATOM 1006 CA LYS A 65 -6.811 -14.397 -20.460 1.00 15.03 C ATOM 1007 C LYS A 65 -5.640 -13.490 -20.097 1.00 41.12 C ATOM 1008 O LYS A 65 -5.738 -12.668 -19.186 1.00 33.04 O ATOM 1009 CB LYS A 65 -7.304 -15.135 -19.213 1.00 2.24 C ATOM 1010 CG LYS A 65 -8.703 -15.709 -19.358 1.00 5.21 C ATOM 1011 CD LYS A 65 -9.423 -15.766 -18.022 1.00 34.05 C ATOM 1012 CE LYS A 65 -10.934 -15.738 -18.201 1.00 65.32 C ATOM 1013 NZ LYS A 65 -11.644 -16.273 -17.007 1.00 31.22 N ATOM 0 H LYS A 65 -6.122 -16.256 -21.139 1.00 21.31 H new ATOM 0 HA LYS A 65 -7.618 -13.778 -20.852 1.00 15.03 H new ATOM 0 HB2 LYS A 65 -6.611 -15.944 -18.982 1.00 2.24 H new ATOM 0 HB3 LYS A 65 -7.288 -14.450 -18.366 1.00 2.24 H new ATOM 0 HG2 LYS A 65 -9.277 -15.099 -20.056 1.00 5.21 H new ATOM 0 HG3 LYS A 65 -8.644 -16.711 -19.784 1.00 5.21 H new ATOM 0 HD2 LYS A 65 -9.135 -16.673 -17.491 1.00 34.05 H new ATOM 0 HD3 LYS A 65 -9.113 -14.923 -17.404 1.00 34.05 H new ATOM 0 HE2 LYS A 65 -11.259 -14.714 -18.388 1.00 65.32 H new ATOM 0 HE3 LYS A 65 -11.207 -16.324 -19.079 1.00 65.32 H new ATOM 0 HZ1 LYS A 65 -12.671 -16.237 -17.169 1.00 31.22 H new ATOM 0 HZ2 LYS A 65 -11.354 -17.258 -16.843 1.00 31.22 H new ATOM 0 HZ3 LYS A 65 -11.404 -15.698 -16.174 1.00 31.22 H new ATOM 1027 N ILE A 66 -4.534 -13.644 -20.817 1.00 43.21 N ATOM 1028 CA ILE A 66 -3.345 -12.836 -20.572 1.00 71.52 C ATOM 1029 C ILE A 66 -2.631 -12.500 -21.877 1.00 23.03 C ATOM 1030 O ILE A 66 -1.483 -12.055 -21.872 1.00 40.53 O ATOM 1031 CB ILE A 66 -2.360 -13.555 -19.631 1.00 73.43 C ATOM 1032 CG1 ILE A 66 -1.509 -14.555 -20.416 1.00 63.33 C ATOM 1033 CG2 ILE A 66 -3.114 -14.258 -18.512 1.00 11.52 C ATOM 1034 CD1 ILE A 66 -2.323 -15.512 -21.259 1.00 0.20 C ATOM 0 H ILE A 66 -4.436 -14.320 -21.574 1.00 43.21 H new ATOM 0 HA ILE A 66 -3.681 -11.915 -20.097 1.00 71.52 H new ATOM 0 HB ILE A 66 -1.698 -12.812 -19.186 1.00 73.43 H new ATOM 0 HG12 ILE A 66 -0.823 -14.007 -21.063 1.00 63.33 H new ATOM 0 HG13 ILE A 66 -0.899 -15.128 -19.717 1.00 63.33 H new ATOM 0 HG21 ILE A 66 -2.404 -14.761 -17.855 1.00 11.52 H new ATOM 0 HG22 ILE A 66 -3.681 -13.525 -17.939 1.00 11.52 H new ATOM 0 HG23 ILE A 66 -3.797 -14.992 -18.939 1.00 11.52 H new ATOM 0 HD11 ILE A 66 -1.654 -16.191 -21.787 1.00 0.20 H new ATOM 0 HD12 ILE A 66 -2.990 -16.087 -20.616 1.00 0.20 H new ATOM 0 HD13 ILE A 66 -2.913 -14.949 -21.982 1.00 0.20 H new ATOM 1046 N LYS A 67 -3.318 -12.714 -22.993 1.00 60.55 N ATOM 1047 CA LYS A 67 -2.752 -12.432 -24.307 1.00 41.51 C ATOM 1048 C LYS A 67 -2.662 -10.928 -24.548 1.00 64.12 C ATOM 1049 O LYS A 67 -1.640 -10.423 -25.015 1.00 24.53 O ATOM 1050 CB LYS A 67 -3.599 -13.084 -25.402 1.00 32.34 C ATOM 1051 CG LYS A 67 -2.893 -13.177 -26.743 1.00 72.02 C ATOM 1052 CD LYS A 67 -3.541 -14.216 -27.644 1.00 3.25 C ATOM 1053 CE LYS A 67 -2.576 -14.707 -28.712 1.00 2.50 C ATOM 1054 NZ LYS A 67 -2.989 -16.024 -29.269 1.00 62.24 N ATOM 0 H LYS A 67 -4.269 -13.082 -23.014 1.00 60.55 H new ATOM 0 HA LYS A 67 -1.746 -12.850 -24.338 1.00 41.51 H new ATOM 0 HB2 LYS A 67 -3.884 -14.086 -25.081 1.00 32.34 H new ATOM 0 HB3 LYS A 67 -4.520 -12.514 -25.525 1.00 32.34 H new ATOM 0 HG2 LYS A 67 -2.914 -12.204 -27.234 1.00 72.02 H new ATOM 0 HG3 LYS A 67 -1.845 -13.433 -26.586 1.00 72.02 H new ATOM 0 HD2 LYS A 67 -3.880 -15.060 -27.043 1.00 3.25 H new ATOM 0 HD3 LYS A 67 -4.424 -13.788 -28.119 1.00 3.25 H new ATOM 0 HE2 LYS A 67 -2.521 -13.974 -29.516 1.00 2.50 H new ATOM 0 HE3 LYS A 67 -1.576 -14.790 -28.287 1.00 2.50 H new ATOM 0 HZ1 LYS A 67 -2.306 -16.324 -29.994 1.00 62.24 H new ATOM 0 HZ2 LYS A 67 -3.017 -16.730 -28.506 1.00 62.24 H new ATOM 0 HZ3 LYS A 67 -3.933 -15.939 -29.697 1.00 62.24 H new ATOM 1068 N THR A 68 -3.737 -10.216 -24.226 1.00 41.21 N ATOM 1069 CA THR A 68 -3.779 -8.770 -24.407 1.00 63.34 C ATOM 1070 C THR A 68 -3.162 -8.049 -23.215 1.00 11.43 C ATOM 1071 O THR A 68 -2.997 -8.630 -22.142 1.00 10.30 O ATOM 1072 CB THR A 68 -5.222 -8.270 -24.605 1.00 72.43 C ATOM 1073 OG1 THR A 68 -6.141 -9.160 -23.962 1.00 33.04 O ATOM 1074 CG2 THR A 68 -5.561 -8.166 -26.085 1.00 22.53 C ATOM 0 H THR A 68 -4.591 -10.617 -23.838 1.00 41.21 H new ATOM 0 HA THR A 68 -3.199 -8.547 -25.303 1.00 63.34 H new ATOM 0 HB THR A 68 -5.304 -7.279 -24.159 1.00 72.43 H new ATOM 0 HG1 THR A 68 -7.059 -8.898 -24.184 1.00 33.04 H new ATOM 0 HG21 THR A 68 -6.585 -7.811 -26.200 1.00 22.53 H new ATOM 0 HG22 THR A 68 -4.878 -7.466 -26.566 1.00 22.53 H new ATOM 0 HG23 THR A 68 -5.463 -9.147 -26.551 1.00 22.53 H new ATOM 1082 N VAL A 69 -2.823 -6.778 -23.408 1.00 54.22 N ATOM 1083 CA VAL A 69 -2.226 -5.976 -22.347 1.00 53.41 C ATOM 1084 C VAL A 69 -3.219 -5.734 -21.216 1.00 32.43 C ATOM 1085 O VAL A 69 -2.833 -5.606 -20.054 1.00 30.41 O ATOM 1086 CB VAL A 69 -1.733 -4.618 -22.880 1.00 44.44 C ATOM 1087 CG1 VAL A 69 -1.099 -3.803 -21.763 1.00 33.13 C ATOM 1088 CG2 VAL A 69 -0.752 -4.820 -24.025 1.00 62.14 C ATOM 0 H VAL A 69 -2.952 -6.282 -24.290 1.00 54.22 H new ATOM 0 HA VAL A 69 -1.375 -6.540 -21.965 1.00 53.41 H new ATOM 0 HB VAL A 69 -2.591 -4.064 -23.259 1.00 44.44 H new ATOM 0 HG11 VAL A 69 -0.757 -2.847 -22.159 1.00 33.13 H new ATOM 0 HG12 VAL A 69 -1.834 -3.628 -20.978 1.00 33.13 H new ATOM 0 HG13 VAL A 69 -0.251 -4.349 -21.350 1.00 33.13 H new ATOM 0 HG21 VAL A 69 -0.414 -3.850 -24.390 1.00 62.14 H new ATOM 0 HG22 VAL A 69 0.105 -5.394 -23.673 1.00 62.14 H new ATOM 0 HG23 VAL A 69 -1.243 -5.361 -24.834 1.00 62.14 H new ATOM 1098 N SER A 70 -4.501 -5.674 -21.563 1.00 43.21 N ATOM 1099 CA SER A 70 -5.550 -5.445 -20.577 1.00 11.51 C ATOM 1100 C SER A 70 -5.935 -6.746 -19.880 1.00 63.34 C ATOM 1101 O SER A 70 -6.380 -6.741 -18.733 1.00 0.04 O ATOM 1102 CB SER A 70 -6.781 -4.827 -21.244 1.00 65.24 C ATOM 1103 OG SER A 70 -7.617 -5.828 -21.797 1.00 71.53 O ATOM 0 H SER A 70 -4.838 -5.781 -22.520 1.00 43.21 H new ATOM 0 HA SER A 70 -5.165 -4.753 -19.828 1.00 11.51 H new ATOM 0 HB2 SER A 70 -7.341 -4.244 -20.513 1.00 65.24 H new ATOM 0 HB3 SER A 70 -6.467 -4.138 -22.028 1.00 65.24 H new ATOM 0 HG SER A 70 -8.397 -5.408 -22.216 1.00 71.53 H new ATOM 1109 N ASP A 71 -5.760 -7.860 -20.583 1.00 44.12 N ATOM 1110 CA ASP A 71 -6.087 -9.170 -20.033 1.00 61.45 C ATOM 1111 C ASP A 71 -4.939 -9.705 -19.183 1.00 11.25 C ATOM 1112 O ASP A 71 -5.160 -10.352 -18.159 1.00 13.54 O ATOM 1113 CB ASP A 71 -6.404 -10.155 -21.160 1.00 53.11 C ATOM 1114 CG ASP A 71 -7.752 -9.887 -21.800 1.00 72.13 C ATOM 1115 OD1 ASP A 71 -8.210 -8.726 -21.754 1.00 73.52 O ATOM 1116 OD2 ASP A 71 -8.349 -10.838 -22.347 1.00 35.33 O ATOM 0 H ASP A 71 -5.394 -7.882 -21.535 1.00 44.12 H new ATOM 0 HA ASP A 71 -6.966 -9.060 -19.398 1.00 61.45 H new ATOM 0 HB2 ASP A 71 -5.626 -10.095 -21.921 1.00 53.11 H new ATOM 0 HB3 ASP A 71 -6.388 -11.171 -20.766 1.00 53.11 H new ATOM 1121 N VAL A 72 -3.712 -9.431 -19.614 1.00 21.00 N ATOM 1122 CA VAL A 72 -2.529 -9.884 -18.892 1.00 60.01 C ATOM 1123 C VAL A 72 -2.418 -9.200 -17.534 1.00 74.11 C ATOM 1124 O VAL A 72 -2.019 -9.819 -16.547 1.00 53.30 O ATOM 1125 CB VAL A 72 -1.243 -9.615 -19.696 1.00 53.25 C ATOM 1126 CG1 VAL A 72 -1.100 -8.130 -19.993 1.00 51.14 C ATOM 1127 CG2 VAL A 72 -0.027 -10.137 -18.946 1.00 50.34 C ATOM 0 H VAL A 72 -3.511 -8.897 -20.460 1.00 21.00 H new ATOM 0 HA VAL A 72 -2.640 -10.959 -18.747 1.00 60.01 H new ATOM 0 HB VAL A 72 -1.311 -10.146 -20.646 1.00 53.25 H new ATOM 0 HG11 VAL A 72 -0.186 -7.959 -20.562 1.00 51.14 H new ATOM 0 HG12 VAL A 72 -1.958 -7.791 -20.574 1.00 51.14 H new ATOM 0 HG13 VAL A 72 -1.054 -7.574 -19.056 1.00 51.14 H new ATOM 0 HG21 VAL A 72 0.873 -9.939 -19.529 1.00 50.34 H new ATOM 0 HG22 VAL A 72 0.048 -9.636 -17.981 1.00 50.34 H new ATOM 0 HG23 VAL A 72 -0.129 -11.211 -18.790 1.00 50.34 H new ATOM 1137 N ILE A 73 -2.775 -7.921 -17.491 1.00 43.35 N ATOM 1138 CA ILE A 73 -2.717 -7.153 -16.254 1.00 20.02 C ATOM 1139 C ILE A 73 -3.961 -7.386 -15.404 1.00 34.02 C ATOM 1140 O ILE A 73 -3.928 -7.244 -14.181 1.00 42.44 O ATOM 1141 CB ILE A 73 -2.575 -5.645 -16.533 1.00 25.12 C ATOM 1142 CG1 ILE A 73 -1.300 -5.371 -17.334 1.00 52.30 C ATOM 1143 CG2 ILE A 73 -2.565 -4.864 -15.227 1.00 44.45 C ATOM 1144 CD1 ILE A 73 -0.049 -5.920 -16.686 1.00 61.50 C ATOM 0 H ILE A 73 -3.108 -7.395 -18.299 1.00 43.35 H new ATOM 0 HA ILE A 73 -1.838 -7.498 -15.710 1.00 20.02 H new ATOM 0 HB ILE A 73 -3.430 -5.317 -17.123 1.00 25.12 H new ATOM 0 HG12 ILE A 73 -1.405 -5.805 -18.328 1.00 52.30 H new ATOM 0 HG13 ILE A 73 -1.188 -4.295 -17.467 1.00 52.30 H new ATOM 0 HG21 ILE A 73 -2.464 -3.800 -15.440 1.00 44.45 H new ATOM 0 HG22 ILE A 73 -3.498 -5.040 -14.691 1.00 44.45 H new ATOM 0 HG23 ILE A 73 -1.726 -5.192 -14.613 1.00 44.45 H new ATOM 0 HD11 ILE A 73 0.815 -5.689 -17.309 1.00 61.50 H new ATOM 0 HD12 ILE A 73 0.081 -5.467 -15.703 1.00 61.50 H new ATOM 0 HD13 ILE A 73 -0.139 -7.001 -16.578 1.00 61.50 H new ATOM 1156 N LYS A 74 -5.060 -7.747 -16.059 1.00 65.00 N ATOM 1157 CA LYS A 74 -6.316 -8.004 -15.365 1.00 3.32 C ATOM 1158 C LYS A 74 -6.339 -9.415 -14.786 1.00 51.21 C ATOM 1159 O LYS A 74 -6.906 -9.649 -13.719 1.00 33.13 O ATOM 1160 CB LYS A 74 -7.497 -7.812 -16.318 1.00 75.41 C ATOM 1161 CG LYS A 74 -8.847 -8.086 -15.677 1.00 1.33 C ATOM 1162 CD LYS A 74 -9.283 -9.526 -15.887 1.00 62.11 C ATOM 1163 CE LYS A 74 -9.946 -10.095 -14.642 1.00 65.31 C ATOM 1164 NZ LYS A 74 -10.290 -11.535 -14.806 1.00 1.21 N ATOM 0 H LYS A 74 -5.106 -7.868 -17.071 1.00 65.00 H new ATOM 0 HA LYS A 74 -6.401 -7.293 -14.544 1.00 3.32 H new ATOM 0 HB2 LYS A 74 -7.485 -6.790 -16.697 1.00 75.41 H new ATOM 0 HB3 LYS A 74 -7.371 -8.472 -17.177 1.00 75.41 H new ATOM 0 HG2 LYS A 74 -8.793 -7.873 -14.609 1.00 1.33 H new ATOM 0 HG3 LYS A 74 -9.594 -7.414 -16.099 1.00 1.33 H new ATOM 0 HD2 LYS A 74 -9.977 -9.578 -16.726 1.00 62.11 H new ATOM 0 HD3 LYS A 74 -8.418 -10.135 -16.150 1.00 62.11 H new ATOM 0 HE2 LYS A 74 -9.279 -9.976 -13.788 1.00 65.31 H new ATOM 0 HE3 LYS A 74 -10.851 -9.528 -14.421 1.00 65.31 H new ATOM 0 HZ1 LYS A 74 -10.740 -11.886 -13.936 1.00 1.21 H new ATOM 0 HZ2 LYS A 74 -10.947 -11.646 -15.605 1.00 1.21 H new ATOM 0 HZ3 LYS A 74 -9.424 -12.080 -14.992 1.00 1.21 H new ATOM 1178 N TYR A 75 -5.719 -10.351 -15.496 1.00 2.40 N ATOM 1179 CA TYR A 75 -5.669 -11.739 -15.053 1.00 15.11 C ATOM 1180 C TYR A 75 -4.547 -11.948 -14.041 1.00 61.43 C ATOM 1181 O TYR A 75 -4.794 -12.301 -12.888 1.00 21.23 O ATOM 1182 CB TYR A 75 -5.473 -12.671 -16.250 1.00 33.45 C ATOM 1183 CG TYR A 75 -5.462 -14.137 -15.879 1.00 75.34 C ATOM 1184 CD1 TYR A 75 -6.642 -14.871 -15.834 1.00 64.22 C ATOM 1185 CD2 TYR A 75 -4.274 -14.788 -15.574 1.00 23.31 C ATOM 1186 CE1 TYR A 75 -6.637 -16.211 -15.496 1.00 3.41 C ATOM 1187 CE2 TYR A 75 -4.259 -16.128 -15.236 1.00 52.30 C ATOM 1188 CZ TYR A 75 -5.443 -16.834 -15.198 1.00 71.42 C ATOM 1189 OH TYR A 75 -5.433 -18.168 -14.861 1.00 30.43 O ATOM 0 H TYR A 75 -5.244 -10.174 -16.381 1.00 2.40 H new ATOM 0 HA TYR A 75 -6.617 -11.974 -14.569 1.00 15.11 H new ATOM 0 HB2 TYR A 75 -6.270 -12.493 -16.973 1.00 33.45 H new ATOM 0 HB3 TYR A 75 -4.534 -12.422 -16.744 1.00 33.45 H new ATOM 0 HD1 TYR A 75 -7.578 -14.386 -16.067 1.00 64.22 H new ATOM 0 HD2 TYR A 75 -3.345 -14.237 -15.601 1.00 23.31 H new ATOM 0 HE1 TYR A 75 -7.562 -16.767 -15.465 1.00 3.41 H new ATOM 0 HE2 TYR A 75 -3.326 -16.619 -15.003 1.00 52.30 H new ATOM 0 HH TYR A 75 -4.513 -18.453 -14.682 1.00 30.43 H new ATOM 1199 N ILE A 76 -3.313 -11.728 -14.482 1.00 51.25 N ATOM 1200 CA ILE A 76 -2.152 -11.890 -13.616 1.00 72.32 C ATOM 1201 C ILE A 76 -2.360 -11.184 -12.281 1.00 23.13 C ATOM 1202 O ILE A 76 -1.869 -11.634 -11.245 1.00 3.41 O ATOM 1203 CB ILE A 76 -0.874 -11.344 -14.280 1.00 20.44 C ATOM 1204 CG1 ILE A 76 -0.565 -12.123 -15.560 1.00 32.21 C ATOM 1205 CG2 ILE A 76 0.298 -11.419 -13.312 1.00 51.43 C ATOM 1206 CD1 ILE A 76 0.695 -11.663 -16.258 1.00 44.10 C ATOM 0 H ILE A 76 -3.092 -11.437 -15.434 1.00 51.25 H new ATOM 0 HA ILE A 76 -2.033 -12.960 -13.444 1.00 72.32 H new ATOM 0 HB ILE A 76 -1.037 -10.299 -14.544 1.00 20.44 H new ATOM 0 HG12 ILE A 76 -0.471 -13.181 -15.318 1.00 32.21 H new ATOM 0 HG13 ILE A 76 -1.406 -12.027 -16.246 1.00 32.21 H new ATOM 0 HG21 ILE A 76 1.194 -11.030 -13.795 1.00 51.43 H new ATOM 0 HG22 ILE A 76 0.076 -10.825 -12.426 1.00 51.43 H new ATOM 0 HG23 ILE A 76 0.464 -12.456 -13.021 1.00 51.43 H new ATOM 0 HD11 ILE A 76 0.851 -12.259 -17.157 1.00 44.10 H new ATOM 0 HD12 ILE A 76 0.596 -10.613 -16.532 1.00 44.10 H new ATOM 0 HD13 ILE A 76 1.547 -11.785 -15.589 1.00 44.10 H new ATOM 1218 N LYS A 77 -3.092 -10.076 -12.311 1.00 51.12 N ATOM 1219 CA LYS A 77 -3.369 -9.308 -11.103 1.00 43.53 C ATOM 1220 C LYS A 77 -4.104 -10.159 -10.073 1.00 51.03 C ATOM 1221 O LYS A 77 -3.732 -10.189 -8.901 1.00 12.22 O ATOM 1222 CB LYS A 77 -4.199 -8.067 -11.442 1.00 30.41 C ATOM 1223 CG LYS A 77 -4.819 -7.400 -10.226 1.00 42.15 C ATOM 1224 CD LYS A 77 -5.065 -5.920 -10.468 1.00 5.13 C ATOM 1225 CE LYS A 77 -6.257 -5.695 -11.384 1.00 75.11 C ATOM 1226 NZ LYS A 77 -6.815 -4.322 -11.242 1.00 42.52 N ATOM 0 H LYS A 77 -3.505 -9.689 -13.160 1.00 51.12 H new ATOM 0 HA LYS A 77 -2.417 -8.995 -10.675 1.00 43.53 H new ATOM 0 HB2 LYS A 77 -3.565 -7.346 -11.958 1.00 30.41 H new ATOM 0 HB3 LYS A 77 -4.992 -8.348 -12.135 1.00 30.41 H new ATOM 0 HG2 LYS A 77 -5.761 -7.891 -9.981 1.00 42.15 H new ATOM 0 HG3 LYS A 77 -4.161 -7.525 -9.366 1.00 42.15 H new ATOM 0 HD2 LYS A 77 -5.237 -5.418 -9.516 1.00 5.13 H new ATOM 0 HD3 LYS A 77 -4.176 -5.470 -10.909 1.00 5.13 H new ATOM 0 HE2 LYS A 77 -5.956 -5.859 -12.419 1.00 75.11 H new ATOM 0 HE3 LYS A 77 -7.032 -6.427 -11.158 1.00 75.11 H new ATOM 0 HZ1 LYS A 77 -7.626 -4.209 -11.883 1.00 42.52 H new ATOM 0 HZ2 LYS A 77 -7.126 -4.173 -10.261 1.00 42.52 H new ATOM 0 HZ3 LYS A 77 -6.083 -3.623 -11.483 1.00 42.52 H new ATOM 1240 N GLU A 78 -5.148 -10.850 -10.520 1.00 60.32 N ATOM 1241 CA GLU A 78 -5.934 -11.703 -9.636 1.00 11.40 C ATOM 1242 C GLU A 78 -5.240 -13.043 -9.413 1.00 63.15 C ATOM 1243 O GLU A 78 -5.488 -13.725 -8.419 1.00 60.32 O ATOM 1244 CB GLU A 78 -7.331 -11.930 -10.219 1.00 5.32 C ATOM 1245 CG GLU A 78 -8.413 -12.079 -9.164 1.00 35.44 C ATOM 1246 CD GLU A 78 -9.736 -12.541 -9.746 1.00 5.42 C ATOM 1247 OE1 GLU A 78 -9.878 -12.515 -10.986 1.00 42.03 O ATOM 1248 OE2 GLU A 78 -10.627 -12.927 -8.962 1.00 13.43 O ATOM 0 H GLU A 78 -5.469 -10.836 -11.488 1.00 60.32 H new ATOM 0 HA GLU A 78 -6.027 -11.198 -8.675 1.00 11.40 H new ATOM 0 HB2 GLU A 78 -7.584 -11.094 -10.871 1.00 5.32 H new ATOM 0 HB3 GLU A 78 -7.315 -12.825 -10.840 1.00 5.32 H new ATOM 0 HG2 GLU A 78 -8.083 -12.793 -8.409 1.00 35.44 H new ATOM 0 HG3 GLU A 78 -8.556 -11.124 -8.659 1.00 35.44 H new ATOM 1255 N ARG A 79 -4.369 -13.414 -10.347 1.00 11.13 N ATOM 1256 CA ARG A 79 -3.640 -14.673 -10.254 1.00 60.03 C ATOM 1257 C ARG A 79 -2.559 -14.598 -9.180 1.00 12.23 C ATOM 1258 O ARG A 79 -2.422 -15.506 -8.361 1.00 4.14 O ATOM 1259 CB ARG A 79 -3.009 -15.022 -11.604 1.00 12.14 C ATOM 1260 CG ARG A 79 -2.982 -16.513 -11.896 1.00 24.24 C ATOM 1261 CD ARG A 79 -1.682 -17.149 -11.426 1.00 15.11 C ATOM 1262 NE ARG A 79 -1.759 -17.587 -10.035 1.00 73.40 N ATOM 1263 CZ ARG A 79 -0.785 -18.246 -9.417 1.00 72.43 C ATOM 1264 NH1 ARG A 79 0.334 -18.541 -10.064 1.00 41.00 N ATOM 1265 NH2 ARG A 79 -0.930 -18.612 -8.150 1.00 4.41 N ATOM 0 H ARG A 79 -4.152 -12.861 -11.176 1.00 11.13 H new ATOM 0 HA ARG A 79 -4.348 -15.454 -9.978 1.00 60.03 H new ATOM 0 HB2 ARG A 79 -3.561 -14.515 -12.395 1.00 12.14 H new ATOM 0 HB3 ARG A 79 -1.990 -14.637 -11.630 1.00 12.14 H new ATOM 0 HG2 ARG A 79 -3.825 -16.997 -11.402 1.00 24.24 H new ATOM 0 HG3 ARG A 79 -3.103 -16.678 -12.967 1.00 24.24 H new ATOM 0 HD2 ARG A 79 -1.445 -18.002 -12.062 1.00 15.11 H new ATOM 0 HD3 ARG A 79 -0.868 -16.433 -11.536 1.00 15.11 H new ATOM 0 HE ARG A 79 -2.607 -17.375 -9.509 1.00 73.40 H new ATOM 0 HH11 ARG A 79 0.448 -18.262 -11.038 1.00 41.00 H new ATOM 0 HH12 ARG A 79 1.080 -19.047 -9.587 1.00 41.00 H new ATOM 0 HH21 ARG A 79 -1.790 -18.387 -7.650 1.00 4.41 H new ATOM 0 HH22 ARG A 79 -0.182 -19.118 -7.676 1.00 4.41 H new ATOM 1279 N GLN A 80 -1.796 -13.510 -9.191 1.00 3.12 N ATOM 1280 CA GLN A 80 -0.727 -13.318 -8.218 1.00 2.41 C ATOM 1281 C GLN A 80 -1.251 -13.478 -6.795 1.00 1.44 C ATOM 1282 O GLN A 80 -2.453 -13.376 -6.550 1.00 71.12 O ATOM 1283 CB GLN A 80 -0.095 -11.935 -8.389 1.00 55.21 C ATOM 1284 CG GLN A 80 0.846 -11.839 -9.579 1.00 11.12 C ATOM 1285 CD GLN A 80 2.023 -12.788 -9.470 1.00 32.21 C ATOM 1286 OE1 GLN A 80 2.282 -13.355 -8.408 1.00 34.21 O ATOM 1287 NE2 GLN A 80 2.743 -12.967 -10.571 1.00 4.12 N ATOM 0 H GLN A 80 -1.898 -12.749 -9.862 1.00 3.12 H new ATOM 0 HA GLN A 80 0.032 -14.081 -8.394 1.00 2.41 H new ATOM 0 HB2 GLN A 80 -0.887 -11.194 -8.502 1.00 55.21 H new ATOM 0 HB3 GLN A 80 0.453 -11.680 -7.482 1.00 55.21 H new ATOM 0 HG2 GLN A 80 0.293 -12.055 -10.493 1.00 11.12 H new ATOM 0 HG3 GLN A 80 1.215 -10.817 -9.664 1.00 11.12 H new ATOM 0 HE21 GLN A 80 2.492 -12.477 -11.430 1.00 4.12 H new ATOM 0 HE22 GLN A 80 3.547 -13.595 -10.558 1.00 4.12 H new ATOM 1296 N SER A 81 -0.341 -13.729 -5.859 1.00 1.31 N ATOM 1297 CA SER A 81 -0.712 -13.907 -4.460 1.00 20.10 C ATOM 1298 C SER A 81 0.448 -13.542 -3.539 1.00 44.33 C ATOM 1299 O SER A 81 1.529 -13.178 -4.001 1.00 13.33 O ATOM 1300 CB SER A 81 -1.144 -15.352 -4.205 1.00 73.44 C ATOM 1301 OG SER A 81 -1.244 -15.618 -2.817 1.00 4.00 O ATOM 0 H SER A 81 0.658 -13.814 -6.044 1.00 1.31 H new ATOM 0 HA SER A 81 -1.548 -13.241 -4.244 1.00 20.10 H new ATOM 0 HB2 SER A 81 -2.106 -15.537 -4.684 1.00 73.44 H new ATOM 0 HB3 SER A 81 -0.425 -16.035 -4.658 1.00 73.44 H new ATOM 0 HG SER A 81 -1.523 -16.548 -2.681 1.00 4.00 H new TER 1307 SER A 81