USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 588 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 26 THR OG1 : rot 42:sc= 1.12 USER MOD Set 1.2: A 29 SER OG : rot -160:sc= 1.49 USER MOD Single : A 1 ALA N :NH3+ -116:sc= 0.117 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 158:sc= -0.408 (180deg=-1.18) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot -150:sc= -0.611 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot -77:sc= 0.573 USER MOD Single : A 14 LYS NZ :NH3+ -120:sc= 1.01 (180deg=-0.222) USER MOD Single : A 16 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0964) USER MOD Single : A 32 SER OG : rot 180:sc= 0.00178 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -160:sc= -0.799 USER MOD Single : A 46 MET CE :methyl -156:sc= -0.501 (180deg=-1.13) USER MOD Single : A 47 ASN : amide:sc= -0.272 X(o=-0.27,f=0) USER MOD Single : A 55 ASN : amide:sc= 0.136 X(o=0.14,f=-0.027) USER MOD Single : A 60 LYS NZ :NH3+ -170:sc= 0.153 (180deg=0.138) USER MOD Single : A 62 GLN : amide:sc= -0.214 X(o=-0.21,f=-0.005) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc=-0.00861 USER MOD Single : A 68 GLN :FLIP amide:sc= -1.06 F(o=-4.8!,f=-1.1) USER MOD Single : A 69 GLN : amide:sc= -0.229 X(o=-0.23,f=-0.23) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -7.156 -3.286 9.310 1.00 0.00 N ATOM 2 CA ALA A 1 -6.728 -4.136 8.207 1.00 71.14 C ATOM 3 C ALA A 1 -6.394 -5.542 8.693 1.00 30.54 C ATOM 4 O ALA A 1 -6.270 -5.780 9.895 1.00 75.51 O ATOM 5 CB ALA A 1 -5.528 -3.521 7.500 1.00 35.53 C ATOM 0 H1 ALA A 1 -8.146 -3.001 9.165 1.00 0.00 H new ATOM 0 H2 ALA A 1 -7.075 -3.811 10.204 1.00 0.00 H new ATOM 0 H3 ALA A 1 -6.554 -2.439 9.349 1.00 0.00 H new ATOM 0 HA ALA A 1 -7.554 -4.211 7.499 1.00 71.14 H new ATOM 0 HB1 ALA A 1 -5.219 -4.167 6.678 1.00 35.53 H new ATOM 0 HB2 ALA A 1 -5.799 -2.541 7.108 1.00 35.53 H new ATOM 0 HB3 ALA A 1 -4.705 -3.414 8.206 1.00 35.53 H new ATOM 11 N LYS A 2 -6.249 -6.471 7.755 1.00 55.41 N ATOM 12 CA LYS A 2 -5.929 -7.853 8.088 1.00 51.45 C ATOM 13 C LYS A 2 -4.523 -8.213 7.621 1.00 25.35 C ATOM 14 O LYS A 2 -4.015 -7.650 6.650 1.00 72.13 O ATOM 15 CB LYS A 2 -6.948 -8.801 7.450 1.00 24.41 C ATOM 16 CG LYS A 2 -7.254 -8.479 5.997 1.00 20.14 C ATOM 17 CD LYS A 2 -8.510 -7.635 5.867 1.00 75.35 C ATOM 18 CE LYS A 2 -9.757 -8.503 5.779 1.00 52.53 C ATOM 19 NZ LYS A 2 -10.210 -8.961 7.121 1.00 31.30 N ATOM 0 H LYS A 2 -6.348 -6.291 6.756 1.00 55.41 H new ATOM 0 HA LYS A 2 -5.971 -7.959 9.172 1.00 51.45 H new ATOM 0 HB2 LYS A 2 -6.572 -9.822 7.515 1.00 24.41 H new ATOM 0 HB3 LYS A 2 -7.874 -8.765 8.024 1.00 24.41 H new ATOM 0 HG2 LYS A 2 -6.410 -7.948 5.555 1.00 20.14 H new ATOM 0 HG3 LYS A 2 -7.377 -9.405 5.436 1.00 20.14 H new ATOM 0 HD2 LYS A 2 -8.591 -6.966 6.724 1.00 75.35 H new ATOM 0 HD3 LYS A 2 -8.438 -7.008 4.978 1.00 75.35 H new ATOM 0 HE2 LYS A 2 -10.557 -7.941 5.298 1.00 52.53 H new ATOM 0 HE3 LYS A 2 -9.553 -9.369 5.150 1.00 52.53 H new ATOM 0 HZ1 LYS A 2 -11.218 -9.215 7.079 1.00 31.30 H new ATOM 0 HZ2 LYS A 2 -9.655 -9.792 7.410 1.00 31.30 H new ATOM 0 HZ3 LYS A 2 -10.074 -8.197 7.813 1.00 31.30 H new ATOM 33 N LYS A 3 -3.896 -9.155 8.317 1.00 74.52 N ATOM 34 CA LYS A 3 -2.549 -9.593 7.974 1.00 5.22 C ATOM 35 C LYS A 3 -2.460 -9.977 6.501 1.00 51.04 C ATOM 36 O LYS A 3 -1.405 -9.853 5.881 1.00 44.34 O ATOM 37 CB LYS A 3 -2.138 -10.781 8.847 1.00 62.34 C ATOM 38 CG LYS A 3 -2.804 -12.087 8.449 1.00 43.24 C ATOM 39 CD LYS A 3 -4.279 -12.094 8.810 1.00 15.11 C ATOM 40 CE LYS A 3 -4.771 -13.499 9.121 1.00 51.44 C ATOM 41 NZ LYS A 3 -4.756 -14.371 7.914 1.00 34.43 N ATOM 0 H LYS A 3 -4.300 -9.630 9.124 1.00 74.52 H new ATOM 0 HA LYS A 3 -1.867 -8.763 8.157 1.00 5.22 H new ATOM 0 HB2 LYS A 3 -1.056 -10.903 8.794 1.00 62.34 H new ATOM 0 HB3 LYS A 3 -2.383 -10.560 9.886 1.00 62.34 H new ATOM 0 HG2 LYS A 3 -2.691 -12.242 7.376 1.00 43.24 H new ATOM 0 HG3 LYS A 3 -2.303 -12.918 8.946 1.00 43.24 H new ATOM 0 HD2 LYS A 3 -4.446 -11.450 9.673 1.00 15.11 H new ATOM 0 HD3 LYS A 3 -4.858 -11.679 7.985 1.00 15.11 H new ATOM 0 HE2 LYS A 3 -4.144 -13.940 9.896 1.00 51.44 H new ATOM 0 HE3 LYS A 3 -5.784 -13.449 9.521 1.00 51.44 H new ATOM 0 HZ1 LYS A 3 -5.098 -15.320 8.167 1.00 34.43 H new ATOM 0 HZ2 LYS A 3 -5.374 -13.963 7.184 1.00 34.43 H new ATOM 0 HZ3 LYS A 3 -3.785 -14.439 7.547 1.00 34.43 H new ATOM 55 N GLU A 4 -3.576 -10.442 5.947 1.00 0.42 N ATOM 56 CA GLU A 4 -3.623 -10.843 4.545 1.00 13.45 C ATOM 57 C GLU A 4 -3.446 -9.635 3.628 1.00 24.51 C ATOM 58 O GLU A 4 -2.585 -9.632 2.747 1.00 12.45 O ATOM 59 CB GLU A 4 -4.949 -11.542 4.236 1.00 4.34 C ATOM 60 CG GLU A 4 -5.156 -11.827 2.758 1.00 23.04 C ATOM 61 CD GLU A 4 -6.462 -12.545 2.481 1.00 44.43 C ATOM 62 OE1 GLU A 4 -6.748 -13.544 3.173 1.00 11.41 O ATOM 63 OE2 GLU A 4 -7.198 -12.109 1.570 1.00 2.34 O ATOM 0 H GLU A 4 -4.459 -10.550 6.447 1.00 0.42 H new ATOM 0 HA GLU A 4 -2.803 -11.538 4.364 1.00 13.45 H new ATOM 0 HB2 GLU A 4 -4.993 -12.481 4.788 1.00 4.34 H new ATOM 0 HB3 GLU A 4 -5.770 -10.922 4.596 1.00 4.34 H new ATOM 0 HG2 GLU A 4 -5.137 -10.888 2.204 1.00 23.04 H new ATOM 0 HG3 GLU A 4 -4.328 -12.432 2.389 1.00 23.04 H new ATOM 70 N THR A 5 -4.267 -8.612 3.841 1.00 20.15 N ATOM 71 CA THR A 5 -4.204 -7.401 3.034 1.00 11.01 C ATOM 72 C THR A 5 -2.797 -6.814 3.034 1.00 14.44 C ATOM 73 O THR A 5 -2.290 -6.394 1.994 1.00 41.43 O ATOM 74 CB THR A 5 -5.193 -6.335 3.542 1.00 1.22 C ATOM 75 OG1 THR A 5 -6.531 -6.841 3.484 1.00 52.14 O ATOM 76 CG2 THR A 5 -5.090 -5.062 2.714 1.00 61.30 C ATOM 0 H THR A 5 -4.984 -8.598 4.566 1.00 20.15 H new ATOM 0 HA THR A 5 -4.477 -7.684 2.017 1.00 11.01 H new ATOM 0 HB THR A 5 -4.939 -6.099 4.575 1.00 1.22 H new ATOM 0 HG1 THR A 5 -7.155 -6.100 3.336 1.00 52.14 H new ATOM 0 HG21 THR A 5 -5.798 -4.324 3.092 1.00 61.30 H new ATOM 0 HG22 THR A 5 -4.078 -4.663 2.784 1.00 61.30 H new ATOM 0 HG23 THR A 5 -5.320 -5.286 1.672 1.00 61.30 H new ATOM 84 N ILE A 6 -2.172 -6.787 4.206 1.00 41.42 N ATOM 85 CA ILE A 6 -0.823 -6.252 4.340 1.00 43.23 C ATOM 86 C ILE A 6 0.151 -6.980 3.419 1.00 30.00 C ATOM 87 O ILE A 6 0.993 -6.358 2.771 1.00 11.32 O ATOM 88 CB ILE A 6 -0.316 -6.357 5.790 1.00 71.21 C ATOM 89 CG1 ILE A 6 -1.283 -5.650 6.743 1.00 23.30 C ATOM 90 CG2 ILE A 6 1.080 -5.765 5.908 1.00 1.52 C ATOM 91 CD1 ILE A 6 -0.988 -5.909 8.204 1.00 3.01 C ATOM 0 H ILE A 6 -2.578 -7.129 5.077 1.00 41.42 H new ATOM 0 HA ILE A 6 -0.872 -5.201 4.057 1.00 43.23 H new ATOM 0 HB ILE A 6 -0.267 -7.410 6.067 1.00 71.21 H new ATOM 0 HG12 ILE A 6 -1.244 -4.577 6.557 1.00 23.30 H new ATOM 0 HG13 ILE A 6 -2.300 -5.975 6.523 1.00 23.30 H new ATOM 0 HG21 ILE A 6 1.424 -5.847 6.939 1.00 1.52 H new ATOM 0 HG22 ILE A 6 1.762 -6.308 5.254 1.00 1.52 H new ATOM 0 HG23 ILE A 6 1.056 -4.715 5.616 1.00 1.52 H new ATOM 0 HD11 ILE A 6 -1.712 -5.377 8.821 1.00 3.01 H new ATOM 0 HD12 ILE A 6 -1.056 -6.978 8.405 1.00 3.01 H new ATOM 0 HD13 ILE A 6 0.017 -5.558 8.440 1.00 3.01 H new ATOM 103 N ASP A 7 0.029 -8.302 3.366 1.00 31.31 N ATOM 104 CA ASP A 7 0.897 -9.116 2.523 1.00 63.04 C ATOM 105 C ASP A 7 0.692 -8.780 1.048 1.00 23.03 C ATOM 106 O ASP A 7 1.620 -8.879 0.244 1.00 53.52 O ATOM 107 CB ASP A 7 0.627 -10.603 2.762 1.00 53.53 C ATOM 108 CG ASP A 7 1.814 -11.473 2.399 1.00 10.44 C ATOM 109 OD1 ASP A 7 2.748 -10.960 1.747 1.00 3.31 O ATOM 110 OD2 ASP A 7 1.811 -12.665 2.767 1.00 72.53 O ATOM 0 H ASP A 7 -0.662 -8.832 3.897 1.00 31.31 H new ATOM 0 HA ASP A 7 1.931 -8.895 2.788 1.00 63.04 H new ATOM 0 HB2 ASP A 7 0.373 -10.759 3.810 1.00 53.53 H new ATOM 0 HB3 ASP A 7 -0.238 -10.911 2.175 1.00 53.53 H new ATOM 115 N LYS A 8 -0.527 -8.383 0.701 1.00 62.35 N ATOM 116 CA LYS A 8 -0.854 -8.032 -0.676 1.00 23.51 C ATOM 117 C LYS A 8 -0.247 -6.685 -1.053 1.00 71.12 C ATOM 118 O LYS A 8 0.381 -6.547 -2.102 1.00 62.31 O ATOM 119 CB LYS A 8 -2.372 -7.992 -0.866 1.00 41.03 C ATOM 120 CG LYS A 8 -3.088 -9.212 -0.313 1.00 20.12 C ATOM 121 CD LYS A 8 -4.299 -9.578 -1.154 1.00 1.03 C ATOM 122 CE LYS A 8 -3.888 -10.206 -2.478 1.00 33.52 C ATOM 123 NZ LYS A 8 -3.584 -11.657 -2.332 1.00 52.11 N ATOM 0 H LYS A 8 -1.305 -8.296 1.354 1.00 62.35 H new ATOM 0 HA LYS A 8 -0.432 -8.795 -1.330 1.00 23.51 H new ATOM 0 HB2 LYS A 8 -2.767 -7.099 -0.381 1.00 41.03 H new ATOM 0 HB3 LYS A 8 -2.594 -7.902 -1.929 1.00 41.03 H new ATOM 0 HG2 LYS A 8 -2.399 -10.056 -0.280 1.00 20.12 H new ATOM 0 HG3 LYS A 8 -3.402 -9.017 0.712 1.00 20.12 H new ATOM 0 HD2 LYS A 8 -4.931 -10.273 -0.601 1.00 1.03 H new ATOM 0 HD3 LYS A 8 -4.896 -8.686 -1.343 1.00 1.03 H new ATOM 0 HE2 LYS A 8 -4.688 -10.074 -3.207 1.00 33.52 H new ATOM 0 HE3 LYS A 8 -3.012 -9.689 -2.869 1.00 33.52 H new ATOM 0 HZ1 LYS A 8 -3.308 -12.048 -3.255 1.00 52.11 H new ATOM 0 HZ2 LYS A 8 -2.804 -11.782 -1.656 1.00 52.11 H new ATOM 0 HZ3 LYS A 8 -4.428 -12.155 -1.983 1.00 52.11 H new ATOM 137 N VAL A 9 -0.439 -5.693 -0.189 1.00 11.12 N ATOM 138 CA VAL A 9 0.092 -4.356 -0.430 1.00 30.30 C ATOM 139 C VAL A 9 1.617 -4.363 -0.436 1.00 74.23 C ATOM 140 O VAL A 9 2.245 -3.920 -1.398 1.00 35.24 O ATOM 141 CB VAL A 9 -0.402 -3.357 0.633 1.00 14.43 C ATOM 142 CG1 VAL A 9 -0.005 -1.937 0.256 1.00 31.43 C ATOM 143 CG2 VAL A 9 -1.909 -3.467 0.810 1.00 64.35 C ATOM 0 H VAL A 9 -0.958 -5.790 0.684 1.00 11.12 H new ATOM 0 HA VAL A 9 -0.270 -4.043 -1.409 1.00 30.30 H new ATOM 0 HB VAL A 9 0.071 -3.602 1.584 1.00 14.43 H new ATOM 0 HG11 VAL A 9 -0.362 -1.245 1.018 1.00 31.43 H new ATOM 0 HG12 VAL A 9 1.081 -1.869 0.185 1.00 31.43 H new ATOM 0 HG13 VAL A 9 -0.449 -1.678 -0.705 1.00 31.43 H new ATOM 0 HG21 VAL A 9 -2.240 -2.754 1.565 1.00 64.35 H new ATOM 0 HG22 VAL A 9 -2.403 -3.249 -0.137 1.00 64.35 H new ATOM 0 HG23 VAL A 9 -2.165 -4.477 1.129 1.00 64.35 H new ATOM 153 N SER A 10 2.205 -4.870 0.642 1.00 34.12 N ATOM 154 CA SER A 10 3.657 -4.932 0.763 1.00 14.10 C ATOM 155 C SER A 10 4.270 -5.663 -0.427 1.00 60.00 C ATOM 156 O SER A 10 5.361 -5.321 -0.885 1.00 34.41 O ATOM 157 CB SER A 10 4.052 -5.632 2.065 1.00 1.03 C ATOM 158 OG SER A 10 3.683 -6.999 2.041 1.00 71.22 O ATOM 0 H SER A 10 1.699 -5.244 1.445 1.00 34.12 H new ATOM 0 HA SER A 10 4.040 -3.912 0.777 1.00 14.10 H new ATOM 0 HB2 SER A 10 5.128 -5.545 2.216 1.00 1.03 H new ATOM 0 HB3 SER A 10 3.571 -5.137 2.908 1.00 1.03 H new ATOM 0 HG SER A 10 2.718 -7.080 2.194 1.00 71.22 H new ATOM 164 N ASP A 11 3.561 -6.671 -0.924 1.00 13.33 N ATOM 165 CA ASP A 11 4.033 -7.450 -2.062 1.00 74.45 C ATOM 166 C ASP A 11 4.230 -6.561 -3.286 1.00 31.43 C ATOM 167 O ASP A 11 5.195 -6.723 -4.033 1.00 1.31 O ATOM 168 CB ASP A 11 3.045 -8.572 -2.384 1.00 40.14 C ATOM 169 CG ASP A 11 3.499 -9.916 -1.850 1.00 10.21 C ATOM 170 OD1 ASP A 11 4.361 -9.935 -0.946 1.00 15.51 O ATOM 171 OD2 ASP A 11 2.995 -10.950 -2.338 1.00 12.14 O ATOM 0 H ASP A 11 2.657 -6.967 -0.556 1.00 13.33 H new ATOM 0 HA ASP A 11 4.995 -7.889 -1.796 1.00 74.45 H new ATOM 0 HB2 ASP A 11 2.071 -8.327 -1.961 1.00 40.14 H new ATOM 0 HB3 ASP A 11 2.915 -8.639 -3.464 1.00 40.14 H new ATOM 176 N ILE A 12 3.309 -5.625 -3.484 1.00 30.00 N ATOM 177 CA ILE A 12 3.382 -4.710 -4.618 1.00 74.42 C ATOM 178 C ILE A 12 4.385 -3.592 -4.358 1.00 14.12 C ATOM 179 O ILE A 12 5.230 -3.292 -5.201 1.00 73.10 O ATOM 180 CB ILE A 12 2.007 -4.090 -4.930 1.00 62.54 C ATOM 181 CG1 ILE A 12 0.982 -5.189 -5.220 1.00 10.42 C ATOM 182 CG2 ILE A 12 2.113 -3.133 -6.107 1.00 65.00 C ATOM 183 CD1 ILE A 12 -0.328 -5.000 -4.487 1.00 74.53 C ATOM 0 H ILE A 12 2.504 -5.479 -2.875 1.00 30.00 H new ATOM 0 HA ILE A 12 3.710 -5.296 -5.476 1.00 74.42 H new ATOM 0 HB ILE A 12 1.672 -3.527 -4.059 1.00 62.54 H new ATOM 0 HG12 ILE A 12 0.788 -5.221 -6.292 1.00 10.42 H new ATOM 0 HG13 ILE A 12 1.408 -6.154 -4.945 1.00 10.42 H new ATOM 0 HG21 ILE A 12 1.133 -2.703 -6.316 1.00 65.00 H new ATOM 0 HG22 ILE A 12 2.816 -2.335 -5.865 1.00 65.00 H new ATOM 0 HG23 ILE A 12 2.466 -3.674 -6.985 1.00 65.00 H new ATOM 0 HD11 ILE A 12 -1.007 -5.815 -4.739 1.00 74.53 H new ATOM 0 HD12 ILE A 12 -0.147 -4.998 -3.412 1.00 74.53 H new ATOM 0 HD13 ILE A 12 -0.776 -4.051 -4.781 1.00 74.53 H new ATOM 195 N VAL A 13 4.286 -2.978 -3.183 1.00 11.25 N ATOM 196 CA VAL A 13 5.186 -1.893 -2.809 1.00 65.04 C ATOM 197 C VAL A 13 6.644 -2.310 -2.969 1.00 2.22 C ATOM 198 O VAL A 13 7.399 -1.694 -3.723 1.00 30.22 O ATOM 199 CB VAL A 13 4.950 -1.442 -1.356 1.00 51.01 C ATOM 200 CG1 VAL A 13 5.911 -0.325 -0.980 1.00 21.21 C ATOM 201 CG2 VAL A 13 3.506 -1.000 -1.165 1.00 22.50 C ATOM 0 H VAL A 13 3.592 -3.213 -2.474 1.00 11.25 H new ATOM 0 HA VAL A 13 4.972 -1.060 -3.479 1.00 65.04 H new ATOM 0 HB VAL A 13 5.139 -2.288 -0.696 1.00 51.01 H new ATOM 0 HG11 VAL A 13 5.729 -0.020 0.050 1.00 21.21 H new ATOM 0 HG12 VAL A 13 6.937 -0.680 -1.077 1.00 21.21 H new ATOM 0 HG13 VAL A 13 5.757 0.526 -1.643 1.00 21.21 H new ATOM 0 HG21 VAL A 13 3.356 -0.684 -0.133 1.00 22.50 H new ATOM 0 HG22 VAL A 13 3.289 -0.168 -1.834 1.00 22.50 H new ATOM 0 HG23 VAL A 13 2.838 -1.831 -1.391 1.00 22.50 H new ATOM 211 N LYS A 14 7.036 -3.359 -2.256 1.00 60.41 N ATOM 212 CA LYS A 14 8.404 -3.862 -2.319 1.00 35.23 C ATOM 213 C LYS A 14 8.823 -4.119 -3.762 1.00 74.22 C ATOM 214 O LYS A 14 9.994 -3.980 -4.111 1.00 41.21 O ATOM 215 CB LYS A 14 8.534 -5.148 -1.500 1.00 71.54 C ATOM 216 CG LYS A 14 7.914 -6.362 -2.172 1.00 1.12 C ATOM 217 CD LYS A 14 7.516 -7.419 -1.156 1.00 24.33 C ATOM 218 CE LYS A 14 8.735 -8.043 -0.494 1.00 22.42 C ATOM 219 NZ LYS A 14 9.153 -9.300 -1.175 1.00 53.11 N ATOM 0 H LYS A 14 6.425 -3.879 -1.626 1.00 60.41 H new ATOM 0 HA LYS A 14 9.064 -3.103 -1.898 1.00 35.23 H new ATOM 0 HB2 LYS A 14 9.590 -5.345 -1.314 1.00 71.54 H new ATOM 0 HB3 LYS A 14 8.062 -5.000 -0.529 1.00 71.54 H new ATOM 0 HG2 LYS A 14 7.037 -6.055 -2.742 1.00 1.12 H new ATOM 0 HG3 LYS A 14 8.623 -6.787 -2.882 1.00 1.12 H new ATOM 0 HD2 LYS A 14 6.877 -6.971 -0.395 1.00 24.33 H new ATOM 0 HD3 LYS A 14 6.930 -8.196 -1.648 1.00 24.33 H new ATOM 0 HE2 LYS A 14 9.560 -7.331 -0.508 1.00 22.42 H new ATOM 0 HE3 LYS A 14 8.513 -8.253 0.552 1.00 22.42 H new ATOM 0 HZ1 LYS A 14 9.111 -10.091 -0.501 1.00 53.11 H new ATOM 0 HZ2 LYS A 14 8.514 -9.491 -1.973 1.00 53.11 H new ATOM 0 HZ3 LYS A 14 10.126 -9.197 -1.527 1.00 53.11 H new ATOM 233 N GLU A 15 7.857 -4.494 -4.596 1.00 23.42 N ATOM 234 CA GLU A 15 8.127 -4.771 -6.002 1.00 3.32 C ATOM 235 C GLU A 15 8.372 -3.478 -6.774 1.00 0.04 C ATOM 236 O GLU A 15 9.156 -3.444 -7.721 1.00 44.13 O ATOM 237 CB GLU A 15 6.961 -5.539 -6.627 1.00 51.42 C ATOM 238 CG GLU A 15 7.358 -6.370 -7.835 1.00 42.14 C ATOM 239 CD GLU A 15 6.165 -7.009 -8.521 1.00 20.54 C ATOM 240 OE1 GLU A 15 5.677 -8.044 -8.021 1.00 13.44 O ATOM 241 OE2 GLU A 15 5.720 -6.474 -9.558 1.00 4.31 O ATOM 0 H GLU A 15 6.882 -4.613 -4.322 1.00 23.42 H new ATOM 0 HA GLU A 15 9.027 -5.383 -6.059 1.00 3.32 H new ATOM 0 HB2 GLU A 15 6.523 -6.194 -5.874 1.00 51.42 H new ATOM 0 HB3 GLU A 15 6.187 -4.831 -6.922 1.00 51.42 H new ATOM 0 HG2 GLU A 15 7.887 -5.738 -8.548 1.00 42.14 H new ATOM 0 HG3 GLU A 15 8.053 -7.149 -7.523 1.00 42.14 H new ATOM 248 N LYS A 16 7.693 -2.412 -6.360 1.00 72.04 N ATOM 249 CA LYS A 16 7.835 -1.115 -7.010 1.00 44.23 C ATOM 250 C LYS A 16 9.066 -0.379 -6.493 1.00 4.41 C ATOM 251 O LYS A 16 9.537 0.577 -7.112 1.00 75.22 O ATOM 252 CB LYS A 16 6.584 -0.264 -6.776 1.00 71.50 C ATOM 253 CG LYS A 16 5.317 -0.874 -7.351 1.00 23.35 C ATOM 254 CD LYS A 16 5.318 -0.832 -8.870 1.00 15.21 C ATOM 255 CE LYS A 16 5.285 0.597 -9.387 1.00 14.33 C ATOM 256 NZ LYS A 16 6.584 0.998 -9.995 1.00 55.24 N ATOM 0 H LYS A 16 7.039 -2.422 -5.577 1.00 72.04 H new ATOM 0 HA LYS A 16 7.957 -1.285 -8.080 1.00 44.23 H new ATOM 0 HB2 LYS A 16 6.451 -0.115 -5.704 1.00 71.50 H new ATOM 0 HB3 LYS A 16 6.736 0.720 -7.218 1.00 71.50 H new ATOM 0 HG2 LYS A 16 5.224 -1.907 -7.015 1.00 23.35 H new ATOM 0 HG3 LYS A 16 4.448 -0.336 -6.972 1.00 23.35 H new ATOM 0 HD2 LYS A 16 6.207 -1.337 -9.249 1.00 15.21 H new ATOM 0 HD3 LYS A 16 4.455 -1.378 -9.251 1.00 15.21 H new ATOM 0 HE2 LYS A 16 4.491 0.697 -10.128 1.00 14.33 H new ATOM 0 HE3 LYS A 16 5.043 1.274 -8.568 1.00 14.33 H new ATOM 0 HZ1 LYS A 16 6.606 2.030 -10.118 1.00 55.24 H new ATOM 0 HZ2 LYS A 16 7.364 0.707 -9.371 1.00 55.24 H new ATOM 0 HZ3 LYS A 16 6.691 0.537 -10.921 1.00 55.24 H new ATOM 270 N LEU A 17 9.587 -0.831 -5.358 1.00 35.04 N ATOM 271 CA LEU A 17 10.767 -0.216 -4.758 1.00 52.24 C ATOM 272 C LEU A 17 11.974 -1.143 -4.859 1.00 32.54 C ATOM 273 O LEU A 17 13.078 -0.786 -4.449 1.00 51.03 O ATOM 274 CB LEU A 17 10.496 0.131 -3.293 1.00 71.32 C ATOM 275 CG LEU A 17 9.215 0.918 -3.015 1.00 55.41 C ATOM 276 CD1 LEU A 17 9.015 1.101 -1.519 1.00 35.32 C ATOM 277 CD2 LEU A 17 9.255 2.267 -3.718 1.00 51.22 C ATOM 0 H LEU A 17 9.211 -1.621 -4.834 1.00 35.04 H new ATOM 0 HA LEU A 17 10.989 0.700 -5.306 1.00 52.24 H new ATOM 0 HB2 LEU A 17 10.460 -0.797 -2.722 1.00 71.32 H new ATOM 0 HB3 LEU A 17 11.341 0.706 -2.914 1.00 71.32 H new ATOM 0 HG LEU A 17 8.371 0.351 -3.407 1.00 55.41 H new ATOM 0 HD11 LEU A 17 8.098 1.663 -1.341 1.00 35.32 H new ATOM 0 HD12 LEU A 17 8.941 0.125 -1.040 1.00 35.32 H new ATOM 0 HD13 LEU A 17 9.862 1.646 -1.103 1.00 35.32 H new ATOM 0 HD21 LEU A 17 8.335 2.814 -3.509 1.00 51.22 H new ATOM 0 HD22 LEU A 17 10.108 2.841 -3.356 1.00 51.22 H new ATOM 0 HD23 LEU A 17 9.350 2.114 -4.793 1.00 51.22 H new ATOM 289 N ALA A 18 11.755 -2.333 -5.408 1.00 2.22 N ATOM 290 CA ALA A 18 12.827 -3.309 -5.567 1.00 41.50 C ATOM 291 C ALA A 18 12.320 -4.573 -6.255 1.00 4.44 C ATOM 292 O ALA A 18 11.142 -4.677 -6.596 1.00 15.52 O ATOM 293 CB ALA A 18 13.435 -3.650 -4.214 1.00 55.44 C ATOM 0 H ALA A 18 10.846 -2.645 -5.750 1.00 2.22 H new ATOM 0 HA ALA A 18 13.598 -2.867 -6.198 1.00 41.50 H new ATOM 0 HB1 ALA A 18 14.234 -4.380 -4.348 1.00 55.44 H new ATOM 0 HB2 ALA A 18 13.841 -2.746 -3.759 1.00 55.44 H new ATOM 0 HB3 ALA A 18 12.666 -4.069 -3.565 1.00 55.44 H new ATOM 299 N LEU A 19 13.219 -5.530 -6.458 1.00 34.24 N ATOM 300 CA LEU A 19 12.863 -6.787 -7.107 1.00 23.20 C ATOM 301 C LEU A 19 11.991 -7.644 -6.194 1.00 50.32 C ATOM 302 O LEU A 19 11.263 -8.520 -6.658 1.00 1.21 O ATOM 303 CB LEU A 19 14.126 -7.559 -7.495 1.00 2.24 C ATOM 304 CG LEU A 19 15.042 -6.877 -8.512 1.00 63.03 C ATOM 305 CD1 LEU A 19 16.376 -7.604 -8.600 1.00 11.45 C ATOM 306 CD2 LEU A 19 14.373 -6.821 -9.879 1.00 32.44 C ATOM 0 H LEU A 19 14.199 -5.460 -6.183 1.00 34.24 H new ATOM 0 HA LEU A 19 12.295 -6.554 -8.008 1.00 23.20 H new ATOM 0 HB2 LEU A 19 14.702 -7.753 -6.590 1.00 2.24 H new ATOM 0 HB3 LEU A 19 13.827 -8.527 -7.897 1.00 2.24 H new ATOM 0 HG LEU A 19 15.228 -5.856 -8.178 1.00 63.03 H new ATOM 0 HD11 LEU A 19 17.015 -7.105 -9.328 1.00 11.45 H new ATOM 0 HD12 LEU A 19 16.861 -7.593 -7.624 1.00 11.45 H new ATOM 0 HD13 LEU A 19 16.209 -8.635 -8.911 1.00 11.45 H new ATOM 0 HD21 LEU A 19 15.039 -6.333 -10.590 1.00 32.44 H new ATOM 0 HD22 LEU A 19 14.157 -7.833 -10.220 1.00 32.44 H new ATOM 0 HD23 LEU A 19 13.443 -6.257 -9.806 1.00 32.44 H new ATOM 318 N GLY A 20 12.070 -7.381 -4.893 1.00 30.51 N ATOM 319 CA GLY A 20 11.281 -8.135 -3.936 1.00 32.32 C ATOM 320 C GLY A 20 12.046 -9.304 -3.346 1.00 32.05 C ATOM 321 O GLY A 20 11.627 -9.888 -2.348 1.00 22.31 O ATOM 0 H GLY A 20 12.665 -6.660 -4.485 1.00 30.51 H new ATOM 0 HA2 GLY A 20 10.960 -7.472 -3.132 1.00 32.32 H new ATOM 0 HA3 GLY A 20 10.379 -8.504 -4.424 1.00 32.32 H new ATOM 325 N ALA A 21 13.171 -9.645 -3.965 1.00 42.14 N ATOM 326 CA ALA A 21 13.996 -10.752 -3.496 1.00 22.15 C ATOM 327 C ALA A 21 15.162 -10.246 -2.652 1.00 75.31 C ATOM 328 O ALA A 21 15.627 -10.935 -1.743 1.00 60.12 O ATOM 329 CB ALA A 21 14.508 -11.565 -4.675 1.00 23.44 C ATOM 0 H ALA A 21 13.532 -9.171 -4.793 1.00 42.14 H new ATOM 0 HA ALA A 21 13.378 -11.394 -2.868 1.00 22.15 H new ATOM 0 HB1 ALA A 21 15.122 -12.388 -4.310 1.00 23.44 H new ATOM 0 HB2 ALA A 21 13.663 -11.964 -5.236 1.00 23.44 H new ATOM 0 HB3 ALA A 21 15.106 -10.926 -5.325 1.00 23.44 H new ATOM 335 N ASP A 22 15.630 -9.042 -2.958 1.00 13.51 N ATOM 336 CA ASP A 22 16.741 -8.444 -2.228 1.00 61.13 C ATOM 337 C ASP A 22 16.250 -7.337 -1.301 1.00 74.32 C ATOM 338 O ASP A 22 17.042 -6.552 -0.778 1.00 64.02 O ATOM 339 CB ASP A 22 17.779 -7.887 -3.202 1.00 45.40 C ATOM 340 CG ASP A 22 19.156 -7.772 -2.578 1.00 42.53 C ATOM 341 OD1 ASP A 22 19.353 -8.315 -1.472 1.00 11.34 O ATOM 342 OD2 ASP A 22 20.037 -7.137 -3.197 1.00 24.43 O ATOM 0 H ASP A 22 15.257 -8.460 -3.708 1.00 13.51 H new ATOM 0 HA ASP A 22 17.204 -9.222 -1.621 1.00 61.13 H new ATOM 0 HB2 ASP A 22 17.833 -8.532 -4.079 1.00 45.40 H new ATOM 0 HB3 ASP A 22 17.457 -6.905 -3.549 1.00 45.40 H new ATOM 347 N VAL A 23 14.937 -7.278 -1.101 1.00 72.20 N ATOM 348 CA VAL A 23 14.339 -6.267 -0.237 1.00 41.12 C ATOM 349 C VAL A 23 13.363 -6.896 0.750 1.00 54.21 C ATOM 350 O VAL A 23 12.763 -7.935 0.472 1.00 41.32 O ATOM 351 CB VAL A 23 13.601 -5.193 -1.058 1.00 44.52 C ATOM 352 CG1 VAL A 23 12.383 -5.789 -1.747 1.00 1.42 C ATOM 353 CG2 VAL A 23 13.203 -4.024 -0.169 1.00 75.20 C ATOM 0 H VAL A 23 14.267 -7.919 -1.526 1.00 72.20 H new ATOM 0 HA VAL A 23 15.155 -5.797 0.312 1.00 41.12 H new ATOM 0 HB VAL A 23 14.277 -4.821 -1.828 1.00 44.52 H new ATOM 0 HG11 VAL A 23 11.875 -5.015 -2.322 1.00 1.42 H new ATOM 0 HG12 VAL A 23 12.699 -6.589 -2.416 1.00 1.42 H new ATOM 0 HG13 VAL A 23 11.701 -6.191 -0.997 1.00 1.42 H new ATOM 0 HG21 VAL A 23 12.683 -3.274 -0.765 1.00 75.20 H new ATOM 0 HG22 VAL A 23 12.545 -4.378 0.624 1.00 75.20 H new ATOM 0 HG23 VAL A 23 14.096 -3.581 0.271 1.00 75.20 H new ATOM 363 N VAL A 24 13.207 -6.259 1.906 1.00 34.03 N ATOM 364 CA VAL A 24 12.301 -6.755 2.936 1.00 12.51 C ATOM 365 C VAL A 24 11.363 -5.654 3.419 1.00 51.14 C ATOM 366 O VAL A 24 11.792 -4.691 4.055 1.00 24.31 O ATOM 367 CB VAL A 24 13.076 -7.318 4.142 1.00 1.43 C ATOM 368 CG1 VAL A 24 12.116 -7.846 5.195 1.00 35.24 C ATOM 369 CG2 VAL A 24 14.039 -8.407 3.693 1.00 51.12 C ATOM 0 H VAL A 24 13.696 -5.399 2.153 1.00 34.03 H new ATOM 0 HA VAL A 24 11.716 -7.556 2.484 1.00 12.51 H new ATOM 0 HB VAL A 24 13.657 -6.511 4.588 1.00 1.43 H new ATOM 0 HG11 VAL A 24 12.682 -8.240 6.039 1.00 35.24 H new ATOM 0 HG12 VAL A 24 11.470 -7.037 5.537 1.00 35.24 H new ATOM 0 HG13 VAL A 24 11.506 -8.641 4.765 1.00 35.24 H new ATOM 0 HG21 VAL A 24 14.579 -8.794 4.557 1.00 51.12 H new ATOM 0 HG22 VAL A 24 13.480 -9.216 3.222 1.00 51.12 H new ATOM 0 HG23 VAL A 24 14.749 -7.992 2.978 1.00 51.12 H new ATOM 379 N VAL A 25 10.078 -5.803 3.113 1.00 14.22 N ATOM 380 CA VAL A 25 9.077 -4.822 3.517 1.00 3.32 C ATOM 381 C VAL A 25 8.086 -5.424 4.506 1.00 14.51 C ATOM 382 O VAL A 25 7.723 -6.597 4.404 1.00 1.22 O ATOM 383 CB VAL A 25 8.305 -4.275 2.301 1.00 35.12 C ATOM 384 CG1 VAL A 25 7.246 -3.277 2.746 1.00 24.21 C ATOM 385 CG2 VAL A 25 9.261 -3.641 1.304 1.00 5.11 C ATOM 0 H VAL A 25 9.706 -6.593 2.587 1.00 14.22 H new ATOM 0 HA VAL A 25 9.612 -4.002 3.997 1.00 3.32 H new ATOM 0 HB VAL A 25 7.802 -5.107 1.808 1.00 35.12 H new ATOM 0 HG11 VAL A 25 6.711 -2.901 1.874 1.00 24.21 H new ATOM 0 HG12 VAL A 25 6.543 -3.768 3.419 1.00 24.21 H new ATOM 0 HG13 VAL A 25 7.724 -2.446 3.264 1.00 24.21 H new ATOM 0 HG21 VAL A 25 8.698 -3.260 0.452 1.00 5.11 H new ATOM 0 HG22 VAL A 25 9.794 -2.820 1.783 1.00 5.11 H new ATOM 0 HG23 VAL A 25 9.977 -4.388 0.961 1.00 5.11 H new ATOM 395 N THR A 26 7.649 -4.614 5.465 1.00 2.24 N ATOM 396 CA THR A 26 6.700 -5.065 6.475 1.00 64.42 C ATOM 397 C THR A 26 5.751 -3.943 6.879 1.00 44.35 C ATOM 398 O THR A 26 5.976 -2.779 6.549 1.00 15.33 O ATOM 399 CB THR A 26 7.423 -5.588 7.731 1.00 74.34 C ATOM 400 OG1 THR A 26 8.691 -4.939 7.872 1.00 33.35 O ATOM 401 CG2 THR A 26 7.624 -7.094 7.652 1.00 42.13 C ATOM 0 H THR A 26 7.938 -3.641 5.563 1.00 2.24 H new ATOM 0 HA THR A 26 6.127 -5.878 6.029 1.00 64.42 H new ATOM 0 HB THR A 26 6.803 -5.365 8.599 1.00 74.34 H new ATOM 0 HG1 THR A 26 8.594 -3.984 7.673 1.00 33.35 H new ATOM 0 HG21 THR A 26 8.136 -7.440 8.550 1.00 42.13 H new ATOM 0 HG22 THR A 26 6.655 -7.587 7.574 1.00 42.13 H new ATOM 0 HG23 THR A 26 8.225 -7.335 6.775 1.00 42.13 H new ATOM 409 N ALA A 27 4.690 -4.301 7.594 1.00 2.12 N ATOM 410 CA ALA A 27 3.707 -3.323 8.045 1.00 22.21 C ATOM 411 C ALA A 27 4.366 -2.228 8.878 1.00 74.52 C ATOM 412 O ALA A 27 3.849 -1.115 8.977 1.00 61.11 O ATOM 413 CB ALA A 27 2.609 -4.008 8.844 1.00 41.21 C ATOM 0 H ALA A 27 4.489 -5.261 7.874 1.00 2.12 H new ATOM 0 HA ALA A 27 3.263 -2.857 7.165 1.00 22.21 H new ATOM 0 HB1 ALA A 27 1.882 -3.266 9.174 1.00 41.21 H new ATOM 0 HB2 ALA A 27 2.112 -4.749 8.218 1.00 41.21 H new ATOM 0 HB3 ALA A 27 3.045 -4.501 9.713 1.00 41.21 H new ATOM 419 N ASP A 28 5.507 -2.552 9.476 1.00 10.15 N ATOM 420 CA ASP A 28 6.236 -1.595 10.302 1.00 52.31 C ATOM 421 C ASP A 28 7.152 -0.726 9.445 1.00 62.15 C ATOM 422 O ASP A 28 7.567 0.354 9.862 1.00 1.13 O ATOM 423 CB ASP A 28 7.055 -2.327 11.366 1.00 53.31 C ATOM 424 CG ASP A 28 7.479 -1.414 12.499 1.00 25.12 C ATOM 425 OD1 ASP A 28 6.692 -1.244 13.452 1.00 55.14 O ATOM 426 OD2 ASP A 28 8.601 -0.869 12.432 1.00 64.33 O ATOM 0 H ASP A 28 5.947 -3.469 9.405 1.00 10.15 H new ATOM 0 HA ASP A 28 5.509 -0.950 10.795 1.00 52.31 H new ATOM 0 HB2 ASP A 28 6.468 -3.152 11.769 1.00 53.31 H new ATOM 0 HB3 ASP A 28 7.941 -2.762 10.903 1.00 53.31 H new ATOM 431 N SER A 29 7.464 -1.208 8.246 1.00 21.05 N ATOM 432 CA SER A 29 8.336 -0.477 7.332 1.00 31.33 C ATOM 433 C SER A 29 7.606 0.716 6.724 1.00 12.35 C ATOM 434 O SER A 29 6.537 0.568 6.133 1.00 5.03 O ATOM 435 CB SER A 29 8.836 -1.403 6.222 1.00 24.53 C ATOM 436 OG SER A 29 9.233 -2.659 6.746 1.00 73.12 O ATOM 0 H SER A 29 7.127 -2.100 7.885 1.00 21.05 H new ATOM 0 HA SER A 29 9.190 -0.108 7.900 1.00 31.33 H new ATOM 0 HB2 SER A 29 8.049 -1.547 5.482 1.00 24.53 H new ATOM 0 HB3 SER A 29 9.677 -0.938 5.707 1.00 24.53 H new ATOM 0 HG SER A 29 9.827 -3.107 6.108 1.00 73.12 H new ATOM 442 N GLU A 30 8.194 1.900 6.875 1.00 52.53 N ATOM 443 CA GLU A 30 7.599 3.120 6.341 1.00 61.30 C ATOM 444 C GLU A 30 7.940 3.290 4.863 1.00 22.31 C ATOM 445 O GLU A 30 9.047 2.971 4.430 1.00 61.11 O ATOM 446 CB GLU A 30 8.084 4.338 7.131 1.00 32.31 C ATOM 447 CG GLU A 30 8.059 4.135 8.636 1.00 20.45 C ATOM 448 CD GLU A 30 8.641 5.313 9.393 1.00 4.21 C ATOM 449 OE1 GLU A 30 9.871 5.329 9.611 1.00 63.04 O ATOM 450 OE2 GLU A 30 7.867 6.219 9.768 1.00 43.43 O ATOM 0 H GLU A 30 9.080 2.040 7.362 1.00 52.53 H new ATOM 0 HA GLU A 30 6.516 3.039 6.439 1.00 61.30 H new ATOM 0 HB2 GLU A 30 9.101 4.580 6.822 1.00 32.31 H new ATOM 0 HB3 GLU A 30 7.462 5.196 6.878 1.00 32.31 H new ATOM 0 HG2 GLU A 30 7.031 3.972 8.960 1.00 20.45 H new ATOM 0 HG3 GLU A 30 8.619 3.234 8.887 1.00 20.45 H new ATOM 457 N PHE A 31 6.981 3.795 4.095 1.00 33.32 N ATOM 458 CA PHE A 31 7.177 4.006 2.666 1.00 65.13 C ATOM 459 C PHE A 31 8.450 4.807 2.405 1.00 11.12 C ATOM 460 O PHE A 31 9.129 4.603 1.399 1.00 4.02 O ATOM 461 CB PHE A 31 5.972 4.732 2.065 1.00 22.23 C ATOM 462 CG PHE A 31 4.776 3.846 1.867 1.00 20.40 C ATOM 463 CD1 PHE A 31 4.743 2.924 0.833 1.00 4.44 C ATOM 464 CD2 PHE A 31 3.684 3.934 2.715 1.00 12.34 C ATOM 465 CE1 PHE A 31 3.644 2.107 0.648 1.00 40.22 C ATOM 466 CE2 PHE A 31 2.583 3.119 2.536 1.00 74.14 C ATOM 467 CZ PHE A 31 2.562 2.205 1.501 1.00 60.15 C ATOM 0 H PHE A 31 6.060 4.066 4.439 1.00 33.32 H new ATOM 0 HA PHE A 31 7.278 3.030 2.191 1.00 65.13 H new ATOM 0 HB2 PHE A 31 5.696 5.561 2.716 1.00 22.23 H new ATOM 0 HB3 PHE A 31 6.259 5.162 1.105 1.00 22.23 H new ATOM 0 HD1 PHE A 31 5.587 2.843 0.164 1.00 4.44 H new ATOM 0 HD2 PHE A 31 3.694 4.648 3.525 1.00 12.34 H new ATOM 0 HE1 PHE A 31 3.631 1.393 -0.162 1.00 40.22 H new ATOM 0 HE2 PHE A 31 1.739 3.197 3.205 1.00 74.14 H new ATOM 0 HZ PHE A 31 1.701 1.568 1.359 1.00 60.15 H new ATOM 477 N SER A 32 8.764 5.720 3.318 1.00 44.33 N ATOM 478 CA SER A 32 9.952 6.556 3.185 1.00 22.44 C ATOM 479 C SER A 32 11.221 5.735 3.397 1.00 75.43 C ATOM 480 O SER A 32 12.242 5.969 2.751 1.00 2.11 O ATOM 481 CB SER A 32 9.905 7.710 4.189 1.00 32.30 C ATOM 482 OG SER A 32 9.620 7.239 5.495 1.00 74.35 O ATOM 0 H SER A 32 8.213 5.900 4.157 1.00 44.33 H new ATOM 0 HA SER A 32 9.968 6.963 2.174 1.00 22.44 H new ATOM 0 HB2 SER A 32 10.860 8.235 4.189 1.00 32.30 H new ATOM 0 HB3 SER A 32 9.145 8.430 3.885 1.00 32.30 H new ATOM 0 HG SER A 32 9.597 7.995 6.118 1.00 74.35 H new ATOM 488 N LYS A 33 11.148 4.770 4.307 1.00 61.30 N ATOM 489 CA LYS A 33 12.288 3.911 4.605 1.00 22.34 C ATOM 490 C LYS A 33 12.581 2.971 3.440 1.00 75.22 C ATOM 491 O LYS A 33 13.737 2.766 3.070 1.00 64.01 O ATOM 492 CB LYS A 33 12.023 3.098 5.874 1.00 34.25 C ATOM 493 CG LYS A 33 12.506 3.779 7.144 1.00 34.11 C ATOM 494 CD LYS A 33 13.947 3.414 7.459 1.00 53.13 C ATOM 495 CE LYS A 33 14.027 2.224 8.402 1.00 31.21 C ATOM 496 NZ LYS A 33 13.855 2.632 9.824 1.00 64.51 N ATOM 0 H LYS A 33 10.311 4.563 4.851 1.00 61.30 H new ATOM 0 HA LYS A 33 13.158 4.548 4.763 1.00 22.34 H new ATOM 0 HB2 LYS A 33 10.953 2.909 5.957 1.00 34.25 H new ATOM 0 HB3 LYS A 33 12.512 2.128 5.783 1.00 34.25 H new ATOM 0 HG2 LYS A 33 12.419 4.860 7.034 1.00 34.11 H new ATOM 0 HG3 LYS A 33 11.866 3.491 7.978 1.00 34.11 H new ATOM 0 HD2 LYS A 33 14.475 3.183 6.534 1.00 53.13 H new ATOM 0 HD3 LYS A 33 14.450 4.270 7.908 1.00 53.13 H new ATOM 0 HE2 LYS A 33 13.259 1.498 8.137 1.00 31.21 H new ATOM 0 HE3 LYS A 33 14.990 1.728 8.280 1.00 31.21 H new ATOM 0 HZ1 LYS A 33 13.916 1.793 10.436 1.00 64.51 H new ATOM 0 HZ2 LYS A 33 14.603 3.306 10.085 1.00 64.51 H new ATOM 0 HZ3 LYS A 33 12.926 3.083 9.946 1.00 64.51 H new ATOM 510 N LEU A 34 11.527 2.403 2.865 1.00 73.33 N ATOM 511 CA LEU A 34 11.671 1.485 1.740 1.00 55.23 C ATOM 512 C LEU A 34 12.167 2.220 0.499 1.00 61.02 C ATOM 513 O LEU A 34 12.695 1.606 -0.427 1.00 44.42 O ATOM 514 CB LEU A 34 10.335 0.801 1.441 1.00 51.22 C ATOM 515 CG LEU A 34 9.605 0.201 2.643 1.00 65.53 C ATOM 516 CD1 LEU A 34 8.216 -0.270 2.243 1.00 53.24 C ATOM 517 CD2 LEU A 34 10.408 -0.948 3.236 1.00 10.54 C ATOM 0 H LEU A 34 10.563 2.562 3.159 1.00 73.33 H new ATOM 0 HA LEU A 34 12.407 0.729 2.011 1.00 55.23 H new ATOM 0 HB2 LEU A 34 9.676 1.528 0.966 1.00 51.22 H new ATOM 0 HB3 LEU A 34 10.510 0.008 0.714 1.00 51.22 H new ATOM 0 HG LEU A 34 9.500 0.975 3.403 1.00 65.53 H new ATOM 0 HD11 LEU A 34 7.712 -0.694 3.111 1.00 53.24 H new ATOM 0 HD12 LEU A 34 7.640 0.575 1.865 1.00 53.24 H new ATOM 0 HD13 LEU A 34 8.299 -1.029 1.465 1.00 53.24 H new ATOM 0 HD21 LEU A 34 9.873 -1.363 4.090 1.00 10.54 H new ATOM 0 HD22 LEU A 34 10.545 -1.723 2.482 1.00 10.54 H new ATOM 0 HD23 LEU A 34 11.382 -0.582 3.561 1.00 10.54 H new ATOM 529 N GLY A 35 11.995 3.538 0.489 1.00 1.40 N ATOM 530 CA GLY A 35 12.433 4.334 -0.643 1.00 31.03 C ATOM 531 C GLY A 35 11.276 4.973 -1.385 1.00 23.05 C ATOM 532 O GLY A 35 11.464 5.931 -2.135 1.00 22.42 O ATOM 0 H GLY A 35 11.560 4.069 1.244 1.00 1.40 H new ATOM 0 HA2 GLY A 35 13.112 5.113 -0.295 1.00 31.03 H new ATOM 0 HA3 GLY A 35 12.997 3.703 -1.330 1.00 31.03 H new ATOM 536 N ALA A 36 10.076 4.442 -1.177 1.00 11.03 N ATOM 537 CA ALA A 36 8.885 4.967 -1.831 1.00 52.13 C ATOM 538 C ALA A 36 8.646 6.424 -1.452 1.00 72.51 C ATOM 539 O ALA A 36 8.289 6.728 -0.313 1.00 11.34 O ATOM 540 CB ALA A 36 7.671 4.121 -1.475 1.00 61.34 C ATOM 0 H ALA A 36 9.903 3.648 -0.560 1.00 11.03 H new ATOM 0 HA ALA A 36 9.043 4.921 -2.908 1.00 52.13 H new ATOM 0 HB1 ALA A 36 6.788 4.525 -1.971 1.00 61.34 H new ATOM 0 HB2 ALA A 36 7.834 3.095 -1.803 1.00 61.34 H new ATOM 0 HB3 ALA A 36 7.520 4.137 -0.396 1.00 61.34 H new ATOM 546 N ASP A 37 8.846 7.321 -2.410 1.00 64.14 N ATOM 547 CA ASP A 37 8.653 8.747 -2.176 1.00 52.34 C ATOM 548 C ASP A 37 7.261 9.187 -2.620 1.00 21.44 C ATOM 549 O ASP A 37 6.500 8.399 -3.182 1.00 73.32 O ATOM 550 CB ASP A 37 9.718 9.557 -2.918 1.00 74.05 C ATOM 551 CG ASP A 37 11.107 8.973 -2.755 1.00 11.33 C ATOM 552 OD1 ASP A 37 11.419 8.487 -1.647 1.00 64.32 O ATOM 553 OD2 ASP A 37 11.881 9.004 -3.733 1.00 4.11 O ATOM 0 H ASP A 37 9.142 7.086 -3.357 1.00 64.14 H new ATOM 0 HA ASP A 37 8.749 8.930 -1.106 1.00 52.34 H new ATOM 0 HB2 ASP A 37 9.466 9.598 -3.978 1.00 74.05 H new ATOM 0 HB3 ASP A 37 9.713 10.583 -2.549 1.00 74.05 H new ATOM 558 N SER A 38 6.934 10.449 -2.361 1.00 42.22 N ATOM 559 CA SER A 38 5.632 10.992 -2.729 1.00 30.34 C ATOM 560 C SER A 38 5.377 10.828 -4.224 1.00 22.13 C ATOM 561 O SER A 38 4.230 10.788 -4.670 1.00 35.41 O ATOM 562 CB SER A 38 5.545 12.470 -2.344 1.00 52.23 C ATOM 563 OG SER A 38 4.984 12.629 -1.053 1.00 74.11 O ATOM 0 H SER A 38 7.553 11.114 -1.898 1.00 42.22 H new ATOM 0 HA SER A 38 4.868 10.437 -2.185 1.00 30.34 H new ATOM 0 HB2 SER A 38 6.540 12.914 -2.369 1.00 52.23 H new ATOM 0 HB3 SER A 38 4.939 13.004 -3.076 1.00 52.23 H new ATOM 0 HG SER A 38 4.941 13.582 -0.830 1.00 74.11 H new ATOM 569 N LEU A 39 6.455 10.735 -4.994 1.00 63.11 N ATOM 570 CA LEU A 39 6.351 10.576 -6.441 1.00 31.12 C ATOM 571 C LEU A 39 6.057 9.125 -6.808 1.00 52.45 C ATOM 572 O LEU A 39 5.352 8.851 -7.780 1.00 3.31 O ATOM 573 CB LEU A 39 7.643 11.034 -7.119 1.00 21.42 C ATOM 574 CG LEU A 39 8.235 12.351 -6.616 1.00 41.14 C ATOM 575 CD1 LEU A 39 9.469 12.724 -7.422 1.00 51.02 C ATOM 576 CD2 LEU A 39 7.196 13.462 -6.683 1.00 71.10 C ATOM 0 H LEU A 39 7.411 10.767 -4.641 1.00 63.11 H new ATOM 0 HA LEU A 39 5.526 11.195 -6.792 1.00 31.12 H new ATOM 0 HB2 LEU A 39 8.392 10.252 -6.995 1.00 21.42 H new ATOM 0 HB3 LEU A 39 7.455 11.129 -8.188 1.00 21.42 H new ATOM 0 HG LEU A 39 8.532 12.220 -5.575 1.00 41.14 H new ATOM 0 HD11 LEU A 39 9.876 13.664 -7.050 1.00 51.02 H new ATOM 0 HD12 LEU A 39 10.219 11.939 -7.323 1.00 51.02 H new ATOM 0 HD13 LEU A 39 9.198 12.837 -8.472 1.00 51.02 H new ATOM 0 HD21 LEU A 39 7.634 14.392 -6.321 1.00 71.10 H new ATOM 0 HD22 LEU A 39 6.868 13.592 -7.714 1.00 71.10 H new ATOM 0 HD23 LEU A 39 6.341 13.198 -6.061 1.00 71.10 H new ATOM 588 N ASP A 40 6.598 8.200 -6.025 1.00 25.41 N ATOM 589 CA ASP A 40 6.391 6.777 -6.266 1.00 22.32 C ATOM 590 C ASP A 40 5.041 6.323 -5.717 1.00 65.02 C ATOM 591 O ASP A 40 4.441 5.374 -6.223 1.00 52.40 O ATOM 592 CB ASP A 40 7.516 5.961 -5.626 1.00 70.55 C ATOM 593 CG ASP A 40 8.391 5.275 -6.656 1.00 65.14 C ATOM 594 OD1 ASP A 40 8.820 5.950 -7.614 1.00 10.51 O ATOM 595 OD2 ASP A 40 8.648 4.061 -6.505 1.00 32.22 O ATOM 0 H ASP A 40 7.184 8.410 -5.217 1.00 25.41 H new ATOM 0 HA ASP A 40 6.399 6.611 -7.343 1.00 22.32 H new ATOM 0 HB2 ASP A 40 8.131 6.617 -5.010 1.00 70.55 H new ATOM 0 HB3 ASP A 40 7.085 5.211 -4.962 1.00 70.55 H new ATOM 600 N THR A 41 4.570 7.007 -4.680 1.00 11.33 N ATOM 601 CA THR A 41 3.293 6.674 -4.061 1.00 41.43 C ATOM 602 C THR A 41 2.195 6.538 -5.108 1.00 55.15 C ATOM 603 O THR A 41 1.389 5.608 -5.061 1.00 71.05 O ATOM 604 CB THR A 41 2.875 7.738 -3.029 1.00 74.41 C ATOM 605 OG1 THR A 41 4.030 8.251 -2.358 1.00 40.21 O ATOM 606 CG2 THR A 41 1.908 7.152 -2.010 1.00 14.52 C ATOM 0 H THR A 41 5.054 7.796 -4.251 1.00 11.33 H new ATOM 0 HA THR A 41 3.427 5.719 -3.553 1.00 41.43 H new ATOM 0 HB THR A 41 2.374 8.549 -3.558 1.00 74.41 H new ATOM 0 HG1 THR A 41 3.759 8.670 -1.514 1.00 40.21 H new ATOM 0 HG21 THR A 41 1.626 7.921 -1.291 1.00 14.52 H new ATOM 0 HG22 THR A 41 1.016 6.789 -2.521 1.00 14.52 H new ATOM 0 HG23 THR A 41 2.388 6.325 -1.487 1.00 14.52 H new ATOM 614 N VAL A 42 2.167 7.471 -6.055 1.00 15.22 N ATOM 615 CA VAL A 42 1.166 7.454 -7.116 1.00 25.10 C ATOM 616 C VAL A 42 1.168 6.119 -7.852 1.00 62.14 C ATOM 617 O VAL A 42 0.121 5.632 -8.277 1.00 45.41 O ATOM 618 CB VAL A 42 1.406 8.588 -8.131 1.00 43.11 C ATOM 619 CG1 VAL A 42 2.721 8.378 -8.866 1.00 23.33 C ATOM 620 CG2 VAL A 42 0.246 8.678 -9.112 1.00 44.33 C ATOM 0 H VAL A 42 2.826 8.248 -6.109 1.00 15.22 H new ATOM 0 HA VAL A 42 0.197 7.601 -6.640 1.00 25.10 H new ATOM 0 HB VAL A 42 1.468 9.531 -7.588 1.00 43.11 H new ATOM 0 HG11 VAL A 42 2.873 9.189 -9.578 1.00 23.33 H new ATOM 0 HG12 VAL A 42 3.541 8.367 -8.148 1.00 23.33 H new ATOM 0 HG13 VAL A 42 2.692 7.427 -9.399 1.00 23.33 H new ATOM 0 HG21 VAL A 42 0.432 9.484 -9.822 1.00 44.33 H new ATOM 0 HG22 VAL A 42 0.151 7.735 -9.650 1.00 44.33 H new ATOM 0 HG23 VAL A 42 -0.676 8.880 -8.567 1.00 44.33 H new ATOM 630 N GLU A 43 2.352 5.532 -7.998 1.00 61.15 N ATOM 631 CA GLU A 43 2.490 4.252 -8.683 1.00 53.42 C ATOM 632 C GLU A 43 2.006 3.106 -7.798 1.00 1.34 C ATOM 633 O GLU A 43 1.542 2.078 -8.294 1.00 3.42 O ATOM 634 CB GLU A 43 3.947 4.019 -9.087 1.00 43.34 C ATOM 635 CG GLU A 43 4.126 3.707 -10.563 1.00 1.21 C ATOM 636 CD GLU A 43 4.908 4.780 -11.296 1.00 25.40 C ATOM 637 OE1 GLU A 43 4.800 5.962 -10.909 1.00 0.45 O ATOM 638 OE2 GLU A 43 5.631 4.436 -12.255 1.00 31.11 O ATOM 0 H GLU A 43 3.228 5.922 -7.651 1.00 61.15 H new ATOM 0 HA GLU A 43 1.872 4.281 -9.580 1.00 53.42 H new ATOM 0 HB2 GLU A 43 4.531 4.905 -8.838 1.00 43.34 H new ATOM 0 HB3 GLU A 43 4.351 3.196 -8.498 1.00 43.34 H new ATOM 0 HG2 GLU A 43 4.640 2.752 -10.669 1.00 1.21 H new ATOM 0 HG3 GLU A 43 3.147 3.595 -11.028 1.00 1.21 H new ATOM 645 N ILE A 44 2.118 3.291 -6.488 1.00 4.24 N ATOM 646 CA ILE A 44 1.693 2.274 -5.534 1.00 35.20 C ATOM 647 C ILE A 44 0.175 2.129 -5.526 1.00 34.24 C ATOM 648 O ILE A 44 -0.356 1.033 -5.701 1.00 24.22 O ATOM 649 CB ILE A 44 2.173 2.603 -4.108 1.00 4.40 C ATOM 650 CG1 ILE A 44 3.658 2.976 -4.121 1.00 35.23 C ATOM 651 CG2 ILE A 44 1.927 1.423 -3.180 1.00 42.13 C ATOM 652 CD1 ILE A 44 4.523 1.989 -4.869 1.00 64.45 C ATOM 0 H ILE A 44 2.499 4.136 -6.062 1.00 4.24 H new ATOM 0 HA ILE A 44 2.145 1.334 -5.853 1.00 35.20 H new ATOM 0 HB ILE A 44 1.605 3.456 -3.737 1.00 4.40 H new ATOM 0 HG12 ILE A 44 3.773 3.962 -4.572 1.00 35.23 H new ATOM 0 HG13 ILE A 44 4.014 3.053 -3.094 1.00 35.23 H new ATOM 0 HG21 ILE A 44 2.272 1.671 -2.176 1.00 42.13 H new ATOM 0 HG22 ILE A 44 0.861 1.198 -3.152 1.00 42.13 H new ATOM 0 HG23 ILE A 44 2.472 0.553 -3.546 1.00 42.13 H new ATOM 0 HD11 ILE A 44 5.562 2.318 -4.836 1.00 64.45 H new ATOM 0 HD12 ILE A 44 4.439 1.006 -4.405 1.00 64.45 H new ATOM 0 HD13 ILE A 44 4.194 1.930 -5.906 1.00 64.45 H new ATOM 664 N VAL A 45 -0.519 3.245 -5.323 1.00 32.23 N ATOM 665 CA VAL A 45 -1.977 3.243 -5.294 1.00 43.20 C ATOM 666 C VAL A 45 -2.552 2.788 -6.631 1.00 11.21 C ATOM 667 O VAL A 45 -3.599 2.143 -6.681 1.00 34.22 O ATOM 668 CB VAL A 45 -2.534 4.640 -4.957 1.00 43.33 C ATOM 669 CG1 VAL A 45 -2.071 5.660 -5.986 1.00 13.22 C ATOM 670 CG2 VAL A 45 -4.052 4.602 -4.877 1.00 53.10 C ATOM 0 H VAL A 45 -0.095 4.161 -5.176 1.00 32.23 H new ATOM 0 HA VAL A 45 -2.277 2.543 -4.515 1.00 43.20 H new ATOM 0 HB VAL A 45 -2.149 4.942 -3.983 1.00 43.33 H new ATOM 0 HG11 VAL A 45 -2.473 6.641 -5.733 1.00 13.22 H new ATOM 0 HG12 VAL A 45 -0.982 5.705 -5.990 1.00 13.22 H new ATOM 0 HG13 VAL A 45 -2.425 5.367 -6.974 1.00 13.22 H new ATOM 0 HG21 VAL A 45 -4.429 5.597 -4.638 1.00 53.10 H new ATOM 0 HG22 VAL A 45 -4.459 4.280 -5.836 1.00 53.10 H new ATOM 0 HG23 VAL A 45 -4.358 3.902 -4.100 1.00 53.10 H new ATOM 680 N MET A 46 -1.860 3.127 -7.714 1.00 21.15 N ATOM 681 CA MET A 46 -2.300 2.751 -9.051 1.00 54.44 C ATOM 682 C MET A 46 -2.336 1.235 -9.207 1.00 24.32 C ATOM 683 O MET A 46 -3.281 0.680 -9.763 1.00 52.34 O ATOM 684 CB MET A 46 -1.378 3.363 -10.107 1.00 25.45 C ATOM 685 CG MET A 46 -2.005 3.448 -11.489 1.00 33.54 C ATOM 686 SD MET A 46 -0.810 3.871 -12.770 1.00 73.43 S ATOM 687 CE MET A 46 0.043 5.243 -11.998 1.00 54.54 C ATOM 0 H MET A 46 -0.992 3.662 -7.691 1.00 21.15 H new ATOM 0 HA MET A 46 -3.310 3.136 -9.194 1.00 54.44 H new ATOM 0 HB2 MET A 46 -1.088 4.364 -9.787 1.00 25.45 H new ATOM 0 HB3 MET A 46 -0.465 2.770 -10.167 1.00 25.45 H new ATOM 0 HG2 MET A 46 -2.469 2.492 -11.732 1.00 33.54 H new ATOM 0 HG3 MET A 46 -2.799 4.195 -11.478 1.00 33.54 H new ATOM 0 HE1 MET A 46 0.489 5.873 -12.767 1.00 54.54 H new ATOM 0 HE2 MET A 46 -0.666 5.830 -11.414 1.00 54.54 H new ATOM 0 HE3 MET A 46 0.826 4.862 -11.342 1.00 54.54 H new ATOM 697 N ASN A 47 -1.296 0.570 -8.710 1.00 14.12 N ATOM 698 CA ASN A 47 -1.209 -0.883 -8.795 1.00 24.54 C ATOM 699 C ASN A 47 -2.171 -1.545 -7.813 1.00 11.44 C ATOM 700 O ASN A 47 -2.814 -2.545 -8.136 1.00 24.21 O ATOM 701 CB ASN A 47 0.223 -1.346 -8.512 1.00 11.40 C ATOM 702 CG ASN A 47 1.082 -1.365 -9.762 1.00 14.44 C ATOM 703 OD1 ASN A 47 1.715 -2.373 -10.078 1.00 12.34 O ATOM 704 ND2 ASN A 47 1.106 -0.248 -10.480 1.00 20.31 N ATOM 0 H ASN A 47 -0.504 1.014 -8.245 1.00 14.12 H new ATOM 0 HA ASN A 47 -1.488 -1.180 -9.806 1.00 24.54 H new ATOM 0 HB2 ASN A 47 0.676 -0.685 -7.773 1.00 11.40 H new ATOM 0 HB3 ASN A 47 0.200 -2.344 -8.075 1.00 11.40 H new ATOM 0 HD21 ASN A 47 1.665 -0.201 -11.332 1.00 20.31 H new ATOM 0 HD22 ASN A 47 0.565 0.563 -10.180 1.00 20.31 H new ATOM 711 N LEU A 48 -2.266 -0.980 -6.615 1.00 73.02 N ATOM 712 CA LEU A 48 -3.152 -1.514 -5.586 1.00 12.04 C ATOM 713 C LEU A 48 -4.613 -1.398 -6.010 1.00 63.14 C ATOM 714 O LEU A 48 -5.376 -2.358 -5.906 1.00 44.31 O ATOM 715 CB LEU A 48 -2.933 -0.776 -4.264 1.00 12.43 C ATOM 716 CG LEU A 48 -1.593 -1.023 -3.570 1.00 72.22 C ATOM 717 CD1 LEU A 48 -1.358 0.008 -2.478 1.00 13.44 C ATOM 718 CD2 LEU A 48 -1.543 -2.432 -2.995 1.00 2.32 C ATOM 0 H LEU A 48 -1.741 -0.153 -6.332 1.00 73.02 H new ATOM 0 HA LEU A 48 -2.915 -2.569 -5.450 1.00 12.04 H new ATOM 0 HB2 LEU A 48 -3.032 0.294 -4.448 1.00 12.43 H new ATOM 0 HB3 LEU A 48 -3.732 -1.057 -3.578 1.00 12.43 H new ATOM 0 HG LEU A 48 -0.799 -0.924 -4.310 1.00 72.22 H new ATOM 0 HD11 LEU A 48 -0.400 -0.185 -1.996 1.00 13.44 H new ATOM 0 HD12 LEU A 48 -1.350 1.006 -2.916 1.00 13.44 H new ATOM 0 HD13 LEU A 48 -2.156 -0.057 -1.738 1.00 13.44 H new ATOM 0 HD21 LEU A 48 -0.583 -2.591 -2.505 1.00 2.32 H new ATOM 0 HD22 LEU A 48 -2.346 -2.557 -2.269 1.00 2.32 H new ATOM 0 HD23 LEU A 48 -1.664 -3.158 -3.799 1.00 2.32 H new ATOM 730 N GLU A 49 -4.992 -0.218 -6.490 1.00 73.41 N ATOM 731 CA GLU A 49 -6.362 0.020 -6.931 1.00 3.54 C ATOM 732 C GLU A 49 -6.777 -0.994 -7.992 1.00 23.32 C ATOM 733 O GLU A 49 -7.940 -1.388 -8.067 1.00 2.42 O ATOM 734 CB GLU A 49 -6.502 1.440 -7.485 1.00 4.34 C ATOM 735 CG GLU A 49 -6.569 2.510 -6.409 1.00 14.42 C ATOM 736 CD GLU A 49 -6.254 3.895 -6.942 1.00 54.33 C ATOM 737 OE1 GLU A 49 -5.177 4.067 -7.549 1.00 31.11 O ATOM 738 OE2 GLU A 49 -7.087 4.807 -6.752 1.00 74.51 O ATOM 0 H GLU A 49 -4.372 0.586 -6.583 1.00 73.41 H new ATOM 0 HA GLU A 49 -7.019 -0.094 -6.069 1.00 3.54 H new ATOM 0 HB2 GLU A 49 -5.658 1.650 -8.142 1.00 4.34 H new ATOM 0 HB3 GLU A 49 -7.403 1.495 -8.097 1.00 4.34 H new ATOM 0 HG2 GLU A 49 -7.565 2.513 -5.967 1.00 14.42 H new ATOM 0 HG3 GLU A 49 -5.867 2.263 -5.612 1.00 14.42 H new ATOM 745 N GLU A 50 -5.816 -1.414 -8.809 1.00 45.32 N ATOM 746 CA GLU A 50 -6.082 -2.382 -9.866 1.00 43.30 C ATOM 747 C GLU A 50 -6.244 -3.786 -9.290 1.00 40.22 C ATOM 748 O GLU A 50 -7.023 -4.591 -9.800 1.00 44.43 O ATOM 749 CB GLU A 50 -4.951 -2.369 -10.896 1.00 40.32 C ATOM 750 CG GLU A 50 -5.336 -2.985 -12.231 1.00 52.32 C ATOM 751 CD GLU A 50 -4.340 -2.667 -13.330 1.00 21.01 C ATOM 752 OE1 GLU A 50 -3.125 -2.838 -13.097 1.00 41.21 O ATOM 753 OE2 GLU A 50 -4.777 -2.248 -14.422 1.00 11.44 O ATOM 0 H GLU A 50 -4.847 -1.099 -8.759 1.00 45.32 H new ATOM 0 HA GLU A 50 -7.014 -2.099 -10.356 1.00 43.30 H new ATOM 0 HB2 GLU A 50 -4.631 -1.340 -11.059 1.00 40.32 H new ATOM 0 HB3 GLU A 50 -4.095 -2.908 -10.490 1.00 40.32 H new ATOM 0 HG2 GLU A 50 -5.414 -4.066 -12.119 1.00 52.32 H new ATOM 0 HG3 GLU A 50 -6.322 -2.623 -12.523 1.00 52.32 H new ATOM 760 N GLU A 51 -5.503 -4.071 -8.224 1.00 51.03 N ATOM 761 CA GLU A 51 -5.564 -5.378 -7.580 1.00 2.22 C ATOM 762 C GLU A 51 -6.877 -5.550 -6.822 1.00 32.24 C ATOM 763 O GLU A 51 -7.587 -6.538 -7.004 1.00 73.11 O ATOM 764 CB GLU A 51 -4.383 -5.554 -6.623 1.00 21.31 C ATOM 765 CG GLU A 51 -3.955 -7.002 -6.446 1.00 2.23 C ATOM 766 CD GLU A 51 -3.342 -7.266 -5.084 1.00 75.41 C ATOM 767 OE1 GLU A 51 -3.769 -6.618 -4.105 1.00 62.41 O ATOM 768 OE2 GLU A 51 -2.436 -8.121 -4.997 1.00 55.12 O ATOM 0 H GLU A 51 -4.854 -3.415 -7.788 1.00 51.03 H new ATOM 0 HA GLU A 51 -5.510 -6.141 -8.357 1.00 2.22 H new ATOM 0 HB2 GLU A 51 -3.536 -4.976 -6.994 1.00 21.31 H new ATOM 0 HB3 GLU A 51 -4.650 -5.141 -5.650 1.00 21.31 H new ATOM 0 HG2 GLU A 51 -4.819 -7.652 -6.584 1.00 2.23 H new ATOM 0 HG3 GLU A 51 -3.234 -7.261 -7.221 1.00 2.23 H new ATOM 775 N PHE A 52 -7.193 -4.580 -5.969 1.00 22.23 N ATOM 776 CA PHE A 52 -8.419 -4.624 -5.181 1.00 50.44 C ATOM 777 C PHE A 52 -9.584 -4.011 -5.953 1.00 30.01 C ATOM 778 O PHE A 52 -10.698 -3.911 -5.441 1.00 12.33 O ATOM 779 CB PHE A 52 -8.225 -3.885 -3.855 1.00 53.14 C ATOM 780 CG PHE A 52 -7.070 -4.400 -3.045 1.00 5.42 C ATOM 781 CD1 PHE A 52 -7.210 -5.528 -2.253 1.00 11.22 C ATOM 782 CD2 PHE A 52 -5.843 -3.756 -3.078 1.00 34.14 C ATOM 783 CE1 PHE A 52 -6.148 -6.003 -1.506 1.00 72.12 C ATOM 784 CE2 PHE A 52 -4.778 -4.227 -2.334 1.00 71.55 C ATOM 785 CZ PHE A 52 -4.931 -5.353 -1.546 1.00 53.43 C ATOM 0 H PHE A 52 -6.617 -3.754 -5.806 1.00 22.23 H new ATOM 0 HA PHE A 52 -8.652 -5.669 -4.976 1.00 50.44 H new ATOM 0 HB2 PHE A 52 -8.072 -2.825 -4.058 1.00 53.14 H new ATOM 0 HB3 PHE A 52 -9.138 -3.968 -3.265 1.00 53.14 H new ATOM 0 HD1 PHE A 52 -8.159 -6.042 -2.219 1.00 11.22 H new ATOM 0 HD2 PHE A 52 -5.718 -2.876 -3.692 1.00 34.14 H new ATOM 0 HE1 PHE A 52 -6.271 -6.882 -0.891 1.00 72.12 H new ATOM 0 HE2 PHE A 52 -3.827 -3.716 -2.368 1.00 71.55 H new ATOM 0 HZ PHE A 52 -4.100 -5.723 -0.963 1.00 53.43 H new ATOM 795 N GLY A 53 -9.316 -3.600 -7.190 1.00 30.52 N ATOM 796 CA GLY A 53 -10.350 -3.001 -8.012 1.00 12.41 C ATOM 797 C GLY A 53 -11.060 -1.860 -7.311 1.00 22.01 C ATOM 798 O GLY A 53 -12.269 -1.686 -7.462 1.00 52.54 O ATOM 0 H GLY A 53 -8.402 -3.672 -7.636 1.00 30.52 H new ATOM 0 HA2 GLY A 53 -9.907 -2.635 -8.938 1.00 12.41 H new ATOM 0 HA3 GLY A 53 -11.078 -3.764 -8.287 1.00 12.41 H new ATOM 802 N ILE A 54 -10.307 -1.081 -6.541 1.00 33.11 N ATOM 803 CA ILE A 54 -10.873 0.048 -5.814 1.00 30.04 C ATOM 804 C ILE A 54 -10.491 1.371 -6.470 1.00 13.23 C ATOM 805 O ILE A 54 -9.821 1.393 -7.501 1.00 21.11 O ATOM 806 CB ILE A 54 -10.406 0.063 -4.346 1.00 15.23 C ATOM 807 CG1 ILE A 54 -8.878 0.052 -4.273 1.00 34.14 C ATOM 808 CG2 ILE A 54 -10.987 -1.125 -3.594 1.00 51.33 C ATOM 809 CD1 ILE A 54 -8.337 0.371 -2.897 1.00 2.31 C ATOM 0 H ILE A 54 -9.305 -1.211 -6.405 1.00 33.11 H new ATOM 0 HA ILE A 54 -11.956 -0.070 -5.842 1.00 30.04 H new ATOM 0 HB ILE A 54 -10.766 0.978 -3.875 1.00 15.23 H new ATOM 0 HG12 ILE A 54 -8.515 -0.929 -4.579 1.00 34.14 H new ATOM 0 HG13 ILE A 54 -8.483 0.775 -4.987 1.00 34.14 H new ATOM 0 HG21 ILE A 54 -10.648 -1.101 -2.558 1.00 51.33 H new ATOM 0 HG22 ILE A 54 -12.076 -1.076 -3.621 1.00 51.33 H new ATOM 0 HG23 ILE A 54 -10.654 -2.051 -4.063 1.00 51.33 H new ATOM 0 HD11 ILE A 54 -7.248 0.345 -2.919 1.00 2.31 H new ATOM 0 HD12 ILE A 54 -8.670 1.364 -2.596 1.00 2.31 H new ATOM 0 HD13 ILE A 54 -8.703 -0.366 -2.182 1.00 2.31 H new ATOM 821 N ASN A 55 -10.921 2.473 -5.863 1.00 21.43 N ATOM 822 CA ASN A 55 -10.623 3.800 -6.387 1.00 1.03 C ATOM 823 C ASN A 55 -10.442 4.805 -5.253 1.00 74.43 C ATOM 824 O ASN A 55 -11.332 4.987 -4.422 1.00 55.45 O ATOM 825 CB ASN A 55 -11.742 4.265 -7.322 1.00 4.42 C ATOM 826 CG ASN A 55 -13.110 3.805 -6.859 1.00 63.44 C ATOM 827 OD1 ASN A 55 -13.688 2.875 -7.424 1.00 12.55 O ATOM 828 ND2 ASN A 55 -13.635 4.454 -5.827 1.00 74.24 N ATOM 0 H ASN A 55 -11.477 2.472 -5.008 1.00 21.43 H new ATOM 0 HA ASN A 55 -9.691 3.741 -6.948 1.00 1.03 H new ATOM 0 HB2 ASN A 55 -11.730 5.353 -7.386 1.00 4.42 H new ATOM 0 HB3 ASN A 55 -11.554 3.885 -8.326 1.00 4.42 H new ATOM 0 HD21 ASN A 55 -14.553 4.188 -5.471 1.00 74.24 H new ATOM 0 HD22 ASN A 55 -13.120 5.218 -5.390 1.00 74.24 H new ATOM 835 N VAL A 56 -9.283 5.455 -5.225 1.00 50.31 N ATOM 836 CA VAL A 56 -8.985 6.443 -4.195 1.00 51.51 C ATOM 837 C VAL A 56 -8.031 7.512 -4.717 1.00 64.35 C ATOM 838 O VAL A 56 -7.183 7.238 -5.567 1.00 3.14 O ATOM 839 CB VAL A 56 -8.368 5.784 -2.948 1.00 30.33 C ATOM 840 CG1 VAL A 56 -7.035 5.135 -3.290 1.00 72.20 C ATOM 841 CG2 VAL A 56 -8.202 6.806 -1.833 1.00 62.22 C ATOM 0 H VAL A 56 -8.535 5.315 -5.904 1.00 50.31 H new ATOM 0 HA VAL A 56 -9.931 6.909 -3.920 1.00 51.51 H new ATOM 0 HB VAL A 56 -9.045 5.004 -2.598 1.00 30.33 H new ATOM 0 HG11 VAL A 56 -6.614 4.675 -2.396 1.00 72.20 H new ATOM 0 HG12 VAL A 56 -7.187 4.372 -4.054 1.00 72.20 H new ATOM 0 HG13 VAL A 56 -6.347 5.893 -3.666 1.00 72.20 H new ATOM 0 HG21 VAL A 56 -7.765 6.323 -0.959 1.00 62.22 H new ATOM 0 HG22 VAL A 56 -7.547 7.609 -2.170 1.00 62.22 H new ATOM 0 HG23 VAL A 56 -9.176 7.219 -1.570 1.00 62.22 H new ATOM 851 N ASP A 57 -8.174 8.728 -4.203 1.00 73.42 N ATOM 852 CA ASP A 57 -7.324 9.838 -4.615 1.00 51.34 C ATOM 853 C ASP A 57 -6.028 9.859 -3.809 1.00 54.10 C ATOM 854 O ASP A 57 -5.986 9.386 -2.674 1.00 53.53 O ATOM 855 CB ASP A 57 -8.064 11.165 -4.450 1.00 14.25 C ATOM 856 CG ASP A 57 -8.967 11.476 -5.627 1.00 42.52 C ATOM 857 OD1 ASP A 57 -9.711 10.572 -6.061 1.00 30.55 O ATOM 858 OD2 ASP A 57 -8.928 12.625 -6.116 1.00 50.30 O ATOM 0 H ASP A 57 -8.872 8.970 -3.499 1.00 73.42 H new ATOM 0 HA ASP A 57 -7.074 9.700 -5.667 1.00 51.34 H new ATOM 0 HB2 ASP A 57 -8.659 11.134 -3.538 1.00 14.25 H new ATOM 0 HB3 ASP A 57 -7.338 11.970 -4.330 1.00 14.25 H new ATOM 863 N GLU A 58 -4.976 10.410 -4.405 1.00 63.41 N ATOM 864 CA GLU A 58 -3.679 10.490 -3.742 1.00 14.01 C ATOM 865 C GLU A 58 -3.743 11.418 -2.532 1.00 54.53 C ATOM 866 O GLU A 58 -3.161 11.133 -1.486 1.00 70.23 O ATOM 867 CB GLU A 58 -2.611 10.982 -4.721 1.00 31.52 C ATOM 868 CG GLU A 58 -1.254 11.210 -4.076 1.00 5.23 C ATOM 869 CD GLU A 58 -0.145 11.385 -5.096 1.00 53.34 C ATOM 870 OE1 GLU A 58 -0.378 12.072 -6.112 1.00 53.25 O ATOM 871 OE2 GLU A 58 0.954 10.835 -4.877 1.00 43.25 O ATOM 0 H GLU A 58 -4.996 10.807 -5.344 1.00 63.41 H new ATOM 0 HA GLU A 58 -3.413 9.491 -3.398 1.00 14.01 H new ATOM 0 HB2 GLU A 58 -2.504 10.254 -5.525 1.00 31.52 H new ATOM 0 HB3 GLU A 58 -2.949 11.913 -5.176 1.00 31.52 H new ATOM 0 HG2 GLU A 58 -1.302 12.095 -3.441 1.00 5.23 H new ATOM 0 HG3 GLU A 58 -1.017 10.366 -3.429 1.00 5.23 H new ATOM 878 N ASP A 59 -4.454 12.530 -2.684 1.00 42.55 N ATOM 879 CA ASP A 59 -4.596 13.501 -1.607 1.00 21.51 C ATOM 880 C ASP A 59 -5.162 12.841 -0.352 1.00 4.32 C ATOM 881 O ASP A 59 -4.927 13.304 0.765 1.00 40.34 O ATOM 882 CB ASP A 59 -5.501 14.653 -2.043 1.00 43.43 C ATOM 883 CG ASP A 59 -5.847 15.586 -0.899 1.00 62.42 C ATOM 884 OD1 ASP A 59 -5.078 16.539 -0.658 1.00 44.43 O ATOM 885 OD2 ASP A 59 -6.886 15.360 -0.243 1.00 22.04 O ATOM 0 H ASP A 59 -4.941 12.781 -3.544 1.00 42.55 H new ATOM 0 HA ASP A 59 -3.607 13.895 -1.376 1.00 21.51 H new ATOM 0 HB2 ASP A 59 -5.007 15.219 -2.833 1.00 43.43 H new ATOM 0 HB3 ASP A 59 -6.420 14.248 -2.468 1.00 43.43 H new ATOM 890 N LYS A 60 -5.907 11.759 -0.544 1.00 55.15 N ATOM 891 CA LYS A 60 -6.507 11.034 0.570 1.00 2.30 C ATOM 892 C LYS A 60 -5.494 10.094 1.215 1.00 52.20 C ATOM 893 O LYS A 60 -5.620 9.741 2.388 1.00 40.42 O ATOM 894 CB LYS A 60 -7.724 10.240 0.092 1.00 15.32 C ATOM 895 CG LYS A 60 -8.799 11.101 -0.548 1.00 13.33 C ATOM 896 CD LYS A 60 -9.794 11.610 0.481 1.00 14.01 C ATOM 897 CE LYS A 60 -10.392 12.945 0.067 1.00 51.22 C ATOM 898 NZ LYS A 60 -9.520 14.088 0.453 1.00 61.00 N ATOM 0 H LYS A 60 -6.110 11.364 -1.462 1.00 55.15 H new ATOM 0 HA LYS A 60 -6.827 11.762 1.315 1.00 2.30 H new ATOM 0 HB2 LYS A 60 -7.397 9.488 -0.626 1.00 15.32 H new ATOM 0 HB3 LYS A 60 -8.155 9.706 0.939 1.00 15.32 H new ATOM 0 HG2 LYS A 60 -8.335 11.947 -1.055 1.00 13.33 H new ATOM 0 HG3 LYS A 60 -9.324 10.523 -1.308 1.00 13.33 H new ATOM 0 HD2 LYS A 60 -10.591 10.878 0.611 1.00 14.01 H new ATOM 0 HD3 LYS A 60 -9.298 11.716 1.446 1.00 14.01 H new ATOM 0 HE2 LYS A 60 -10.546 12.955 -1.012 1.00 51.22 H new ATOM 0 HE3 LYS A 60 -11.372 13.063 0.530 1.00 51.22 H new ATOM 0 HZ1 LYS A 60 -10.034 14.981 0.309 1.00 61.00 H new ATOM 0 HZ2 LYS A 60 -9.254 13.999 1.455 1.00 61.00 H new ATOM 0 HZ3 LYS A 60 -8.662 14.084 -0.134 1.00 61.00 H new ATOM 912 N ALA A 61 -4.490 9.692 0.442 1.00 54.14 N ATOM 913 CA ALA A 61 -3.455 8.795 0.940 1.00 73.24 C ATOM 914 C ALA A 61 -2.238 9.576 1.423 1.00 43.33 C ATOM 915 O ALA A 61 -1.118 9.067 1.409 1.00 43.40 O ATOM 916 CB ALA A 61 -3.052 7.802 -0.141 1.00 33.31 C ATOM 0 H ALA A 61 -4.372 9.974 -0.531 1.00 54.14 H new ATOM 0 HA ALA A 61 -3.862 8.246 1.789 1.00 73.24 H new ATOM 0 HB1 ALA A 61 -2.278 7.138 0.245 1.00 33.31 H new ATOM 0 HB2 ALA A 61 -3.921 7.214 -0.437 1.00 33.31 H new ATOM 0 HB3 ALA A 61 -2.668 8.342 -1.006 1.00 33.31 H new ATOM 922 N GLN A 62 -2.465 10.815 1.848 1.00 73.25 N ATOM 923 CA GLN A 62 -1.386 11.666 2.334 1.00 31.12 C ATOM 924 C GLN A 62 -0.923 11.221 3.717 1.00 41.33 C ATOM 925 O GLN A 62 0.274 11.060 3.959 1.00 33.01 O ATOM 926 CB GLN A 62 -1.841 13.126 2.380 1.00 54.31 C ATOM 927 CG GLN A 62 -2.063 13.738 1.006 1.00 65.53 C ATOM 928 CD GLN A 62 -0.764 14.070 0.298 1.00 35.03 C ATOM 929 OE1 GLN A 62 -0.267 15.193 0.383 1.00 4.23 O ATOM 930 NE2 GLN A 62 -0.206 13.092 -0.405 1.00 25.11 N ATOM 0 H GLN A 62 -3.387 11.251 1.865 1.00 73.25 H new ATOM 0 HA GLN A 62 -0.547 11.576 1.644 1.00 31.12 H new ATOM 0 HB2 GLN A 62 -2.767 13.191 2.952 1.00 54.31 H new ATOM 0 HB3 GLN A 62 -1.094 13.714 2.914 1.00 54.31 H new ATOM 0 HG2 GLN A 62 -2.640 13.045 0.393 1.00 65.53 H new ATOM 0 HG3 GLN A 62 -2.659 14.645 1.108 1.00 65.53 H new ATOM 0 HE21 GLN A 62 -0.653 12.176 -0.448 1.00 25.11 H new ATOM 0 HE22 GLN A 62 0.669 13.257 -0.902 1.00 25.11 H new ATOM 939 N ASP A 63 -1.877 11.026 4.620 1.00 12.03 N ATOM 940 CA ASP A 63 -1.567 10.600 5.980 1.00 65.40 C ATOM 941 C ASP A 63 -0.812 9.273 5.975 1.00 50.01 C ATOM 942 O ASP A 63 -0.098 8.950 6.925 1.00 32.10 O ATOM 943 CB ASP A 63 -2.850 10.466 6.801 1.00 61.41 C ATOM 944 CG ASP A 63 -3.485 11.809 7.103 1.00 34.30 C ATOM 945 OD1 ASP A 63 -2.737 12.785 7.315 1.00 23.31 O ATOM 946 OD2 ASP A 63 -4.732 11.883 7.127 1.00 12.25 O ATOM 0 H ASP A 63 -2.872 11.156 4.435 1.00 12.03 H new ATOM 0 HA ASP A 63 -0.931 11.359 6.435 1.00 65.40 H new ATOM 0 HB2 ASP A 63 -3.562 9.844 6.259 1.00 61.41 H new ATOM 0 HB3 ASP A 63 -2.628 9.954 7.737 1.00 61.41 H new ATOM 951 N ILE A 64 -0.975 8.510 4.899 1.00 10.32 N ATOM 952 CA ILE A 64 -0.309 7.220 4.771 1.00 54.33 C ATOM 953 C ILE A 64 1.189 7.346 5.029 1.00 72.24 C ATOM 954 O ILE A 64 1.878 8.129 4.376 1.00 53.10 O ATOM 955 CB ILE A 64 -0.528 6.610 3.374 1.00 70.05 C ATOM 956 CG1 ILE A 64 -2.023 6.496 3.071 1.00 2.51 C ATOM 957 CG2 ILE A 64 0.143 5.248 3.279 1.00 73.01 C ATOM 958 CD1 ILE A 64 -2.774 5.630 4.057 1.00 72.34 C ATOM 0 H ILE A 64 -1.562 8.763 4.104 1.00 10.32 H new ATOM 0 HA ILE A 64 -0.750 6.562 5.520 1.00 54.33 H new ATOM 0 HB ILE A 64 -0.076 7.268 2.632 1.00 70.05 H new ATOM 0 HG12 ILE A 64 -2.462 7.494 3.068 1.00 2.51 H new ATOM 0 HG13 ILE A 64 -2.152 6.088 2.069 1.00 2.51 H new ATOM 0 HG21 ILE A 64 -0.021 4.830 2.286 1.00 73.01 H new ATOM 0 HG22 ILE A 64 1.213 5.357 3.455 1.00 73.01 H new ATOM 0 HG23 ILE A 64 -0.282 4.580 4.028 1.00 73.01 H new ATOM 0 HD11 ILE A 64 -3.828 5.594 3.781 1.00 72.34 H new ATOM 0 HD12 ILE A 64 -2.361 4.621 4.044 1.00 72.34 H new ATOM 0 HD13 ILE A 64 -2.675 6.049 5.058 1.00 72.34 H new ATOM 970 N SER A 65 1.685 6.568 5.987 1.00 45.53 N ATOM 971 CA SER A 65 3.102 6.594 6.333 1.00 0.41 C ATOM 972 C SER A 65 3.736 5.222 6.126 1.00 5.14 C ATOM 973 O SER A 65 4.789 5.100 5.498 1.00 44.01 O ATOM 974 CB SER A 65 3.285 7.039 7.785 1.00 1.44 C ATOM 975 OG SER A 65 4.629 7.411 8.038 1.00 32.35 O ATOM 0 H SER A 65 1.128 5.913 6.536 1.00 45.53 H new ATOM 0 HA SER A 65 3.599 7.308 5.676 1.00 0.41 H new ATOM 0 HB2 SER A 65 2.625 7.880 7.997 1.00 1.44 H new ATOM 0 HB3 SER A 65 2.996 6.230 8.456 1.00 1.44 H new ATOM 0 HG SER A 65 4.720 7.693 8.972 1.00 32.35 H new ATOM 981 N THR A 66 3.090 4.191 6.659 1.00 33.22 N ATOM 982 CA THR A 66 3.590 2.828 6.535 1.00 41.23 C ATOM 983 C THR A 66 2.650 1.971 5.694 1.00 44.41 C ATOM 984 O THR A 66 1.542 2.394 5.360 1.00 71.02 O ATOM 985 CB THR A 66 3.769 2.167 7.915 1.00 12.11 C ATOM 986 OG1 THR A 66 2.491 1.843 8.474 1.00 2.43 O ATOM 987 CG2 THR A 66 4.523 3.088 8.862 1.00 11.24 C ATOM 0 H THR A 66 2.218 4.274 7.182 1.00 33.22 H new ATOM 0 HA THR A 66 4.560 2.892 6.041 1.00 41.23 H new ATOM 0 HB THR A 66 4.349 1.253 7.783 1.00 12.11 H new ATOM 0 HG1 THR A 66 2.614 1.422 9.350 1.00 2.43 H new ATOM 0 HG21 THR A 66 4.637 2.600 9.830 1.00 11.24 H new ATOM 0 HG22 THR A 66 5.507 3.309 8.448 1.00 11.24 H new ATOM 0 HG23 THR A 66 3.966 4.016 8.987 1.00 11.24 H new ATOM 995 N ILE A 67 3.099 0.768 5.353 1.00 34.33 N ATOM 996 CA ILE A 67 2.296 -0.147 4.552 1.00 41.13 C ATOM 997 C ILE A 67 0.908 -0.334 5.154 1.00 13.25 C ATOM 998 O ILE A 67 -0.099 -0.254 4.452 1.00 55.45 O ATOM 999 CB ILE A 67 2.976 -1.523 4.420 1.00 73.13 C ATOM 1000 CG1 ILE A 67 4.382 -1.369 3.839 1.00 51.40 C ATOM 1001 CG2 ILE A 67 2.136 -2.448 3.551 1.00 13.32 C ATOM 1002 CD1 ILE A 67 4.401 -0.756 2.456 1.00 20.41 C ATOM 0 H ILE A 67 4.014 0.404 5.619 1.00 34.33 H new ATOM 0 HA ILE A 67 2.202 0.300 3.562 1.00 41.13 H new ATOM 0 HB ILE A 67 3.061 -1.966 5.412 1.00 73.13 H new ATOM 0 HG12 ILE A 67 4.978 -0.750 4.510 1.00 51.40 H new ATOM 0 HG13 ILE A 67 4.859 -2.348 3.800 1.00 51.40 H new ATOM 0 HG21 ILE A 67 2.630 -3.416 3.467 1.00 13.32 H new ATOM 0 HG22 ILE A 67 1.153 -2.580 4.004 1.00 13.32 H new ATOM 0 HG23 ILE A 67 2.023 -2.011 2.559 1.00 13.32 H new ATOM 0 HD11 ILE A 67 5.431 -0.677 2.107 1.00 20.41 H new ATOM 0 HD12 ILE A 67 3.833 -1.386 1.771 1.00 20.41 H new ATOM 0 HD13 ILE A 67 3.953 0.237 2.492 1.00 20.41 H new ATOM 1014 N GLN A 68 0.864 -0.579 6.460 1.00 74.45 N ATOM 1015 CA GLN A 68 -0.402 -0.775 7.157 1.00 24.02 C ATOM 1016 C GLN A 68 -1.365 0.371 6.868 1.00 75.25 C ATOM 1017 O GLN A 68 -2.539 0.147 6.570 1.00 4.32 O ATOM 1018 CB GLN A 68 -0.165 -0.891 8.664 1.00 74.43 C ATOM 1019 CG GLN A 68 -0.117 -2.326 9.164 1.00 40.23 C ATOM 1020 CD GLN A 68 -1.482 -2.852 9.561 1.00 62.41 C ATOM 1021 OE1 GLN A 68 -2.316 -3.146 8.570 1.00 22.21 O flip ATOM 1022 NE2 GLN A 68 -1.785 -2.992 10.747 1.00 5.13 N flip ATOM 0 H GLN A 68 1.689 -0.646 7.056 1.00 74.45 H new ATOM 0 HA GLN A 68 -0.849 -1.701 6.794 1.00 24.02 H new ATOM 0 HB2 GLN A 68 0.773 -0.396 8.915 1.00 74.43 H new ATOM 0 HB3 GLN A 68 -0.957 -0.358 9.190 1.00 74.43 H new ATOM 0 HG2 GLN A 68 0.302 -2.964 8.386 1.00 40.23 H new ATOM 0 HG3 GLN A 68 0.554 -2.386 10.021 1.00 40.23 H new ATOM 0 HE21 GLN A 68 -1.113 -2.754 11.477 1.00 5.13 H new ATOM 0 HE22 GLN A 68 -2.708 -3.346 10.999 1.00 5.13 H new ATOM 1031 N GLN A 69 -0.862 1.598 6.960 1.00 13.22 N ATOM 1032 CA GLN A 69 -1.681 2.779 6.709 1.00 23.40 C ATOM 1033 C GLN A 69 -2.376 2.682 5.356 1.00 41.22 C ATOM 1034 O GLN A 69 -3.557 3.008 5.229 1.00 64.10 O ATOM 1035 CB GLN A 69 -0.819 4.042 6.764 1.00 15.34 C ATOM 1036 CG GLN A 69 -0.168 4.277 8.117 1.00 72.04 C ATOM 1037 CD GLN A 69 -1.122 4.042 9.272 1.00 20.52 C ATOM 1038 OE1 GLN A 69 -1.932 4.905 9.607 1.00 14.33 O ATOM 1039 NE2 GLN A 69 -1.029 2.869 9.888 1.00 44.21 N ATOM 0 H GLN A 69 0.107 1.800 7.206 1.00 13.22 H new ATOM 0 HA GLN A 69 -2.444 2.833 7.485 1.00 23.40 H new ATOM 0 HB2 GLN A 69 -0.041 3.974 6.003 1.00 15.34 H new ATOM 0 HB3 GLN A 69 -1.437 4.904 6.513 1.00 15.34 H new ATOM 0 HG2 GLN A 69 0.693 3.617 8.221 1.00 72.04 H new ATOM 0 HG3 GLN A 69 0.207 5.299 8.163 1.00 72.04 H new ATOM 0 HE21 GLN A 69 -0.342 2.182 9.576 1.00 44.21 H new ATOM 0 HE22 GLN A 69 -1.644 2.655 10.673 1.00 44.21 H new ATOM 1048 N ALA A 70 -1.638 2.232 4.347 1.00 40.22 N ATOM 1049 CA ALA A 70 -2.185 2.090 3.003 1.00 42.31 C ATOM 1050 C ALA A 70 -3.173 0.932 2.932 1.00 63.04 C ATOM 1051 O ALA A 70 -4.126 0.963 2.154 1.00 23.14 O ATOM 1052 CB ALA A 70 -1.063 1.892 1.994 1.00 23.44 C ATOM 0 H ALA A 70 -0.659 1.959 4.435 1.00 40.22 H new ATOM 0 HA ALA A 70 -2.722 3.006 2.758 1.00 42.31 H new ATOM 0 HB1 ALA A 70 -1.486 1.787 0.995 1.00 23.44 H new ATOM 0 HB2 ALA A 70 -0.396 2.754 2.017 1.00 23.44 H new ATOM 0 HB3 ALA A 70 -0.502 0.992 2.246 1.00 23.44 H new ATOM 1058 N ALA A 71 -2.940 -0.091 3.748 1.00 22.24 N ATOM 1059 CA ALA A 71 -3.811 -1.259 3.779 1.00 50.00 C ATOM 1060 C ALA A 71 -5.131 -0.941 4.472 1.00 52.45 C ATOM 1061 O ALA A 71 -6.153 -1.573 4.202 1.00 42.11 O ATOM 1062 CB ALA A 71 -3.114 -2.419 4.474 1.00 53.31 C ATOM 0 H ALA A 71 -2.154 -0.134 4.397 1.00 22.24 H new ATOM 0 HA ALA A 71 -4.030 -1.545 2.750 1.00 50.00 H new ATOM 0 HB1 ALA A 71 -3.776 -3.285 4.490 1.00 53.31 H new ATOM 0 HB2 ALA A 71 -2.201 -2.671 3.935 1.00 53.31 H new ATOM 0 HB3 ALA A 71 -2.865 -2.134 5.496 1.00 53.31 H new ATOM 1068 N ASP A 72 -5.104 0.041 5.366 1.00 50.21 N ATOM 1069 CA ASP A 72 -6.299 0.443 6.097 1.00 41.02 C ATOM 1070 C ASP A 72 -7.257 1.212 5.192 1.00 12.03 C ATOM 1071 O ASP A 72 -8.472 1.021 5.252 1.00 12.45 O ATOM 1072 CB ASP A 72 -5.920 1.301 7.305 1.00 25.24 C ATOM 1073 CG ASP A 72 -5.383 0.475 8.457 1.00 62.31 C ATOM 1074 OD1 ASP A 72 -4.496 -0.372 8.216 1.00 32.34 O ATOM 1075 OD2 ASP A 72 -5.849 0.672 9.599 1.00 50.42 O ATOM 0 H ASP A 72 -4.267 0.574 5.602 1.00 50.21 H new ATOM 0 HA ASP A 72 -6.802 -0.459 6.445 1.00 41.02 H new ATOM 0 HB2 ASP A 72 -5.170 2.033 7.006 1.00 25.24 H new ATOM 0 HB3 ASP A 72 -6.795 1.859 7.639 1.00 25.24 H new ATOM 1080 N VAL A 73 -6.703 2.083 4.355 1.00 24.31 N ATOM 1081 CA VAL A 73 -7.507 2.881 3.438 1.00 1.01 C ATOM 1082 C VAL A 73 -8.132 2.010 2.354 1.00 22.32 C ATOM 1083 O VAL A 73 -9.266 2.241 1.936 1.00 71.22 O ATOM 1084 CB VAL A 73 -6.667 3.987 2.772 1.00 71.41 C ATOM 1085 CG1 VAL A 73 -7.521 4.802 1.813 1.00 70.14 C ATOM 1086 CG2 VAL A 73 -6.033 4.882 3.826 1.00 71.33 C ATOM 0 H VAL A 73 -5.699 2.254 4.293 1.00 24.31 H new ATOM 0 HA VAL A 73 -8.298 3.342 4.030 1.00 1.01 H new ATOM 0 HB VAL A 73 -5.868 3.517 2.199 1.00 71.41 H new ATOM 0 HG11 VAL A 73 -6.910 5.578 1.352 1.00 70.14 H new ATOM 0 HG12 VAL A 73 -7.923 4.149 1.038 1.00 70.14 H new ATOM 0 HG13 VAL A 73 -8.343 5.264 2.360 1.00 70.14 H new ATOM 0 HG21 VAL A 73 -5.443 5.658 3.338 1.00 71.33 H new ATOM 0 HG22 VAL A 73 -6.815 5.345 4.428 1.00 71.33 H new ATOM 0 HG23 VAL A 73 -5.386 4.285 4.469 1.00 71.33 H new ATOM 1096 N ILE A 74 -7.384 1.008 1.904 1.00 24.41 N ATOM 1097 CA ILE A 74 -7.865 0.100 0.870 1.00 14.42 C ATOM 1098 C ILE A 74 -8.964 -0.810 1.406 1.00 34.50 C ATOM 1099 O ILE A 74 -10.084 -0.813 0.897 1.00 60.22 O ATOM 1100 CB ILE A 74 -6.724 -0.768 0.307 1.00 11.31 C ATOM 1101 CG1 ILE A 74 -5.627 0.118 -0.286 1.00 42.43 C ATOM 1102 CG2 ILE A 74 -7.260 -1.731 -0.741 1.00 4.42 C ATOM 1103 CD1 ILE A 74 -4.277 -0.562 -0.363 1.00 42.14 C ATOM 0 H ILE A 74 -6.442 0.805 2.239 1.00 24.41 H new ATOM 0 HA ILE A 74 -8.268 0.719 0.069 1.00 14.42 H new ATOM 0 HB ILE A 74 -6.294 -1.351 1.121 1.00 11.31 H new ATOM 0 HG12 ILE A 74 -5.925 0.431 -1.287 1.00 42.43 H new ATOM 0 HG13 ILE A 74 -5.536 1.022 0.316 1.00 42.43 H new ATOM 0 HG21 ILE A 74 -6.442 -2.338 -1.130 1.00 4.42 H new ATOM 0 HG22 ILE A 74 -8.010 -2.380 -0.289 1.00 4.42 H new ATOM 0 HG23 ILE A 74 -7.712 -1.167 -1.556 1.00 4.42 H new ATOM 0 HD11 ILE A 74 -3.548 0.125 -0.793 1.00 42.14 H new ATOM 0 HD12 ILE A 74 -3.957 -0.850 0.638 1.00 42.14 H new ATOM 0 HD13 ILE A 74 -4.352 -1.451 -0.990 1.00 42.14 H new ATOM 1115 N GLU A 75 -8.636 -1.581 2.439 1.00 72.02 N ATOM 1116 CA GLU A 75 -9.596 -2.496 3.045 1.00 13.21 C ATOM 1117 C GLU A 75 -10.877 -1.761 3.431 1.00 72.34 C ATOM 1118 O GLU A 75 -11.963 -2.342 3.432 1.00 45.32 O ATOM 1119 CB GLU A 75 -8.988 -3.167 4.278 1.00 1.33 C ATOM 1120 CG GLU A 75 -8.710 -2.204 5.419 1.00 2.24 C ATOM 1121 CD GLU A 75 -9.933 -1.947 6.278 1.00 13.14 C ATOM 1122 OE1 GLU A 75 -10.702 -2.901 6.514 1.00 63.55 O ATOM 1123 OE2 GLU A 75 -10.121 -0.791 6.713 1.00 71.01 O ATOM 0 H GLU A 75 -7.713 -1.590 2.873 1.00 72.02 H new ATOM 0 HA GLU A 75 -9.844 -3.262 2.310 1.00 13.21 H new ATOM 0 HB2 GLU A 75 -9.665 -3.946 4.628 1.00 1.33 H new ATOM 0 HB3 GLU A 75 -8.057 -3.658 3.993 1.00 1.33 H new ATOM 0 HG2 GLU A 75 -7.911 -2.606 6.042 1.00 2.24 H new ATOM 0 HG3 GLU A 75 -8.351 -1.259 5.012 1.00 2.24 H new ATOM 1130 N GLY A 76 -10.743 -0.481 3.760 1.00 22.03 N ATOM 1131 CA GLY A 76 -11.895 0.312 4.146 1.00 62.02 C ATOM 1132 C GLY A 76 -12.869 0.512 3.001 1.00 12.13 C ATOM 1133 O GLY A 76 -14.081 0.583 3.213 1.00 61.12 O ATOM 0 H GLY A 76 -9.856 0.022 3.766 1.00 22.03 H new ATOM 0 HA2 GLY A 76 -12.408 -0.177 4.975 1.00 62.02 H new ATOM 0 HA3 GLY A 76 -11.559 1.284 4.508 1.00 62.02 H new ATOM 1137 N LEU A 77 -12.341 0.606 1.787 1.00 2.50 N ATOM 1138 CA LEU A 77 -13.172 0.801 0.604 1.00 51.42 C ATOM 1139 C LEU A 77 -13.881 -0.493 0.216 1.00 21.54 C ATOM 1140 O LEU A 77 -15.014 -0.473 -0.265 1.00 31.33 O ATOM 1141 CB LEU A 77 -12.321 1.300 -0.565 1.00 42.35 C ATOM 1142 CG LEU A 77 -11.570 2.612 -0.337 1.00 62.12 C ATOM 1143 CD1 LEU A 77 -10.333 2.680 -1.220 1.00 74.03 C ATOM 1144 CD2 LEU A 77 -12.482 3.802 -0.600 1.00 21.31 C ATOM 0 H LEU A 77 -11.341 0.550 1.595 1.00 2.50 H new ATOM 0 HA LEU A 77 -13.928 1.550 0.841 1.00 51.42 H new ATOM 0 HB2 LEU A 77 -11.594 0.527 -0.815 1.00 42.35 H new ATOM 0 HB3 LEU A 77 -12.968 1.421 -1.434 1.00 42.35 H new ATOM 0 HG LEU A 77 -11.250 2.649 0.704 1.00 62.12 H new ATOM 0 HD11 LEU A 77 -9.811 3.621 -1.044 1.00 74.03 H new ATOM 0 HD12 LEU A 77 -9.670 1.848 -0.983 1.00 74.03 H new ATOM 0 HD13 LEU A 77 -10.630 2.620 -2.267 1.00 74.03 H new ATOM 0 HD21 LEU A 77 -11.930 4.727 -0.433 1.00 21.31 H new ATOM 0 HD22 LEU A 77 -12.833 3.770 -1.631 1.00 21.31 H new ATOM 0 HD23 LEU A 77 -13.336 3.762 0.076 1.00 21.31 H new ATOM 1156 N LEU A 78 -13.206 -1.618 0.431 1.00 12.31 N ATOM 1157 CA LEU A 78 -13.772 -2.922 0.106 1.00 64.12 C ATOM 1158 C LEU A 78 -15.000 -3.212 0.962 1.00 13.50 C ATOM 1159 O LEU A 78 -15.903 -3.936 0.543 1.00 3.12 O ATOM 1160 CB LEU A 78 -12.724 -4.018 0.310 1.00 31.41 C ATOM 1161 CG LEU A 78 -11.711 -4.198 -0.821 1.00 72.43 C ATOM 1162 CD1 LEU A 78 -10.563 -3.213 -0.672 1.00 61.11 C ATOM 1163 CD2 LEU A 78 -11.190 -5.629 -0.847 1.00 4.43 C ATOM 0 H LEU A 78 -12.267 -1.653 0.829 1.00 12.31 H new ATOM 0 HA LEU A 78 -14.077 -2.908 -0.940 1.00 64.12 H new ATOM 0 HB2 LEU A 78 -12.178 -3.804 1.229 1.00 31.41 H new ATOM 0 HB3 LEU A 78 -13.242 -4.965 0.460 1.00 31.41 H new ATOM 0 HG LEU A 78 -12.213 -3.998 -1.768 1.00 72.43 H new ATOM 0 HD11 LEU A 78 -9.852 -3.357 -1.486 1.00 61.11 H new ATOM 0 HD12 LEU A 78 -10.951 -2.195 -0.704 1.00 61.11 H new ATOM 0 HD13 LEU A 78 -10.061 -3.380 0.281 1.00 61.11 H new ATOM 0 HD21 LEU A 78 -10.470 -5.739 -1.658 1.00 4.43 H new ATOM 0 HD22 LEU A 78 -10.705 -5.857 0.102 1.00 4.43 H new ATOM 0 HD23 LEU A 78 -12.021 -6.316 -1.004 1.00 4.43 H new