USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 525 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 19 LYS NZ :NH3+ -144:sc= 0.703 (180deg=-1.82) USER MOD Set 1.2: A 23 SER OG : rot 76:sc= 1.95 USER MOD Single : A 13 THR OG1 : rot -16:sc= 0.697 USER MOD Single : A 16 THR OG1 : rot -160:sc= -0.155 USER MOD Single : A 17 GLN : amide:sc= -0.0426 K(o=-0.043,f=-1.3!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 19:sc= 0.277 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 50:sc= -0.0373 USER MOD Single : A 34 GLN : amide:sc= -0.025 X(o=-0.025,f=-0.12) USER MOD Single : A 35 ASN : amide:sc= -0.086 K(o=-0.086,f=-2.1!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 113:sc= -1.18! USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -124:sc= -0.615 (180deg=-2.58!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.136 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0.0879 USER MOD Single : A 62 THR OG1 : rot 93:sc= 0.361 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0353 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 73 SER OG : rot 78:sc= 0.116 USER MOD Single : A 76 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.14) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 13 81.636 -17.333 0.827 1.00 0.00 N ATOM 2 CA THR A 13 81.390 -15.869 0.733 1.00 0.00 C ATOM 3 C THR A 13 80.740 -15.501 -0.596 1.00 0.00 C ATOM 4 O THR A 13 79.527 -15.294 -0.667 1.00 0.00 O ATOM 5 CB THR A 13 82.726 -15.139 0.894 1.00 0.00 C ATOM 6 OG1 THR A 13 83.794 -15.936 0.410 1.00 0.00 O ATOM 7 CG2 THR A 13 83.040 -14.774 2.329 1.00 0.00 C ATOM 0 HA THR A 13 80.702 -15.570 1.524 1.00 0.00 H new ATOM 0 HB THR A 13 82.625 -14.220 0.316 1.00 0.00 H new ATOM 0 HG1 THR A 13 83.493 -16.864 0.315 1.00 0.00 H new ATOM 0 HG21 THR A 13 84.000 -14.260 2.372 1.00 0.00 H new ATOM 0 HG22 THR A 13 82.260 -14.119 2.717 1.00 0.00 H new ATOM 0 HG23 THR A 13 83.087 -15.680 2.933 1.00 0.00 H new ATOM 15 N PHE A 14 81.556 -15.413 -1.645 1.00 0.00 N ATOM 16 CA PHE A 14 81.080 -15.063 -2.985 1.00 0.00 C ATOM 17 C PHE A 14 80.943 -13.551 -3.134 1.00 0.00 C ATOM 18 O PHE A 14 81.354 -12.979 -4.143 1.00 0.00 O ATOM 19 CB PHE A 14 79.744 -15.748 -3.293 1.00 0.00 C ATOM 20 CG PHE A 14 79.699 -16.392 -4.650 1.00 0.00 C ATOM 21 CD1 PHE A 14 80.038 -15.672 -5.783 1.00 0.00 C ATOM 22 CD2 PHE A 14 79.320 -17.718 -4.789 1.00 0.00 C ATOM 23 CE1 PHE A 14 79.998 -16.262 -7.032 1.00 0.00 C ATOM 24 CE2 PHE A 14 79.279 -18.314 -6.036 1.00 0.00 C ATOM 25 CZ PHE A 14 79.618 -17.585 -7.159 1.00 0.00 C ATOM 0 H PHE A 14 82.561 -15.581 -1.592 1.00 0.00 H new ATOM 0 HA PHE A 14 81.820 -15.418 -3.702 1.00 0.00 H new ATOM 0 HB2 PHE A 14 79.550 -16.505 -2.534 1.00 0.00 H new ATOM 0 HB3 PHE A 14 78.943 -15.012 -3.222 1.00 0.00 H new ATOM 0 HD1 PHE A 14 80.337 -14.638 -5.690 1.00 0.00 H new ATOM 0 HD2 PHE A 14 79.054 -18.292 -3.914 1.00 0.00 H new ATOM 0 HE1 PHE A 14 80.264 -15.690 -7.909 1.00 0.00 H new ATOM 0 HE2 PHE A 14 78.982 -19.348 -6.132 1.00 0.00 H new ATOM 0 HZ PHE A 14 79.586 -18.048 -8.134 1.00 0.00 H new ATOM 35 N LEU A 15 80.371 -12.910 -2.122 1.00 0.00 N ATOM 36 CA LEU A 15 80.192 -11.464 -2.139 1.00 0.00 C ATOM 37 C LEU A 15 81.492 -10.765 -1.759 1.00 0.00 C ATOM 38 O LEU A 15 81.788 -9.673 -2.242 1.00 0.00 O ATOM 39 CB LEU A 15 79.074 -11.053 -1.180 1.00 0.00 C ATOM 40 CG LEU A 15 79.331 -11.381 0.292 1.00 0.00 C ATOM 41 CD1 LEU A 15 80.031 -10.223 0.984 1.00 0.00 C ATOM 42 CD2 LEU A 15 78.024 -11.716 0.997 1.00 0.00 C ATOM 0 H LEU A 15 80.023 -13.369 -1.280 1.00 0.00 H new ATOM 0 HA LEU A 15 79.914 -11.163 -3.149 1.00 0.00 H new ATOM 0 HB2 LEU A 15 78.912 -9.979 -1.274 1.00 0.00 H new ATOM 0 HB3 LEU A 15 78.151 -11.543 -1.490 1.00 0.00 H new ATOM 0 HG LEU A 15 79.983 -12.253 0.342 1.00 0.00 H new ATOM 0 HD11 LEU A 15 80.205 -10.476 2.030 1.00 0.00 H new ATOM 0 HD12 LEU A 15 80.985 -10.029 0.494 1.00 0.00 H new ATOM 0 HD13 LEU A 15 79.406 -9.332 0.925 1.00 0.00 H new ATOM 0 HD21 LEU A 15 78.224 -11.947 2.043 1.00 0.00 H new ATOM 0 HD22 LEU A 15 77.349 -10.862 0.936 1.00 0.00 H new ATOM 0 HD23 LEU A 15 77.562 -12.579 0.517 1.00 0.00 H new ATOM 54 N THR A 16 82.268 -11.411 -0.894 1.00 0.00 N ATOM 55 CA THR A 16 83.542 -10.857 -0.451 1.00 0.00 C ATOM 56 C THR A 16 84.564 -10.890 -1.581 1.00 0.00 C ATOM 57 O THR A 16 85.475 -10.064 -1.627 1.00 0.00 O ATOM 58 CB THR A 16 84.071 -11.634 0.756 1.00 0.00 C ATOM 59 OG1 THR A 16 83.037 -11.859 1.699 1.00 0.00 O ATOM 60 CG2 THR A 16 85.201 -10.926 1.473 1.00 0.00 C ATOM 0 H THR A 16 82.037 -12.317 -0.487 1.00 0.00 H new ATOM 0 HA THR A 16 83.379 -9.820 -0.159 1.00 0.00 H new ATOM 0 HB THR A 16 84.449 -12.574 0.353 1.00 0.00 H new ATOM 0 HG1 THR A 16 83.430 -12.060 2.574 1.00 0.00 H new ATOM 0 HG21 THR A 16 85.530 -11.530 2.319 1.00 0.00 H new ATOM 0 HG22 THR A 16 86.034 -10.780 0.785 1.00 0.00 H new ATOM 0 HG23 THR A 16 84.854 -9.957 1.832 1.00 0.00 H new ATOM 68 N GLN A 17 84.404 -11.841 -2.497 1.00 0.00 N ATOM 69 CA GLN A 17 85.317 -11.959 -3.624 1.00 0.00 C ATOM 70 C GLN A 17 85.276 -10.689 -4.470 1.00 0.00 C ATOM 71 O GLN A 17 86.311 -10.088 -4.755 1.00 0.00 O ATOM 72 CB GLN A 17 84.972 -13.198 -4.468 1.00 0.00 C ATOM 73 CG GLN A 17 84.234 -12.894 -5.764 1.00 0.00 C ATOM 74 CD GLN A 17 84.252 -14.058 -6.735 1.00 0.00 C ATOM 75 OE1 GLN A 17 85.204 -14.838 -6.768 1.00 0.00 O ATOM 76 NE2 GLN A 17 83.197 -14.182 -7.531 1.00 0.00 N ATOM 0 H GLN A 17 83.656 -12.535 -2.480 1.00 0.00 H new ATOM 0 HA GLN A 17 86.331 -12.083 -3.245 1.00 0.00 H new ATOM 0 HB2 GLN A 17 85.894 -13.728 -4.706 1.00 0.00 H new ATOM 0 HB3 GLN A 17 84.362 -13.873 -3.867 1.00 0.00 H new ATOM 0 HG2 GLN A 17 83.201 -12.632 -5.536 1.00 0.00 H new ATOM 0 HG3 GLN A 17 84.686 -12.023 -6.239 1.00 0.00 H new ATOM 0 HE21 GLN A 17 82.430 -13.512 -7.469 1.00 0.00 H new ATOM 0 HE22 GLN A 17 83.153 -14.947 -8.204 1.00 0.00 H new ATOM 85 N VAL A 18 84.069 -10.280 -4.860 1.00 0.00 N ATOM 86 CA VAL A 18 83.905 -9.074 -5.662 1.00 0.00 C ATOM 87 C VAL A 18 84.398 -7.874 -4.879 1.00 0.00 C ATOM 88 O VAL A 18 84.974 -6.945 -5.442 1.00 0.00 O ATOM 89 CB VAL A 18 82.441 -8.826 -6.077 1.00 0.00 C ATOM 90 CG1 VAL A 18 82.386 -7.998 -7.352 1.00 0.00 C ATOM 91 CG2 VAL A 18 81.686 -10.136 -6.256 1.00 0.00 C ATOM 0 H VAL A 18 83.199 -10.763 -4.635 1.00 0.00 H new ATOM 0 HA VAL A 18 84.488 -9.217 -6.572 1.00 0.00 H new ATOM 0 HB VAL A 18 81.954 -8.270 -5.276 1.00 0.00 H new ATOM 0 HG11 VAL A 18 81.346 -7.831 -7.633 1.00 0.00 H new ATOM 0 HG12 VAL A 18 82.875 -7.039 -7.184 1.00 0.00 H new ATOM 0 HG13 VAL A 18 82.897 -8.530 -8.154 1.00 0.00 H new ATOM 0 HG21 VAL A 18 80.657 -9.926 -6.548 1.00 0.00 H new ATOM 0 HG22 VAL A 18 82.169 -10.731 -7.031 1.00 0.00 H new ATOM 0 HG23 VAL A 18 81.690 -10.690 -5.317 1.00 0.00 H new ATOM 101 N LYS A 19 84.188 -7.911 -3.567 1.00 0.00 N ATOM 102 CA LYS A 19 84.634 -6.834 -2.699 1.00 0.00 C ATOM 103 C LYS A 19 86.130 -6.612 -2.881 1.00 0.00 C ATOM 104 O LYS A 19 86.638 -5.513 -2.660 1.00 0.00 O ATOM 105 CB LYS A 19 84.316 -7.154 -1.236 1.00 0.00 C ATOM 106 CG LYS A 19 83.556 -6.047 -0.523 1.00 0.00 C ATOM 107 CD LYS A 19 84.410 -5.381 0.545 1.00 0.00 C ATOM 108 CE LYS A 19 83.864 -4.012 0.920 1.00 0.00 C ATOM 109 NZ LYS A 19 83.947 -3.051 -0.214 1.00 0.00 N ATOM 0 H LYS A 19 83.713 -8.674 -3.085 1.00 0.00 H new ATOM 0 HA LYS A 19 84.103 -5.921 -2.970 1.00 0.00 H new ATOM 0 HB2 LYS A 19 83.730 -8.072 -1.193 1.00 0.00 H new ATOM 0 HB3 LYS A 19 85.248 -7.345 -0.704 1.00 0.00 H new ATOM 0 HG2 LYS A 19 83.232 -5.301 -1.249 1.00 0.00 H new ATOM 0 HG3 LYS A 19 82.656 -6.458 -0.066 1.00 0.00 H new ATOM 0 HD2 LYS A 19 84.446 -6.015 1.431 1.00 0.00 H new ATOM 0 HD3 LYS A 19 85.433 -5.279 0.183 1.00 0.00 H new ATOM 0 HE2 LYS A 19 82.826 -4.110 1.238 1.00 0.00 H new ATOM 0 HE3 LYS A 19 84.422 -3.619 1.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 84.166 -2.102 0.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 84.696 -3.352 -0.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 83.037 -3.027 -0.716 1.00 0.00 H new ATOM 123 N GLU A 20 86.826 -7.663 -3.309 1.00 0.00 N ATOM 124 CA GLU A 20 88.260 -7.574 -3.547 1.00 0.00 C ATOM 125 C GLU A 20 88.528 -6.892 -4.885 1.00 0.00 C ATOM 126 O GLU A 20 89.601 -6.332 -5.107 1.00 0.00 O ATOM 127 CB GLU A 20 88.893 -8.966 -3.532 1.00 0.00 C ATOM 128 CG GLU A 20 88.514 -9.795 -2.316 1.00 0.00 C ATOM 129 CD GLU A 20 89.621 -9.851 -1.281 1.00 0.00 C ATOM 130 OE1 GLU A 20 90.469 -8.934 -1.268 1.00 0.00 O ATOM 131 OE2 GLU A 20 89.639 -10.810 -0.482 1.00 0.00 O ATOM 0 H GLU A 20 86.421 -8.580 -3.496 1.00 0.00 H new ATOM 0 HA GLU A 20 88.707 -6.980 -2.750 1.00 0.00 H new ATOM 0 HB2 GLU A 20 88.594 -9.501 -4.433 1.00 0.00 H new ATOM 0 HB3 GLU A 20 89.978 -8.863 -3.567 1.00 0.00 H new ATOM 0 HG2 GLU A 20 87.617 -9.376 -1.861 1.00 0.00 H new ATOM 0 HG3 GLU A 20 88.267 -10.808 -2.634 1.00 0.00 H new ATOM 138 N SER A 21 87.537 -6.946 -5.772 1.00 0.00 N ATOM 139 CA SER A 21 87.643 -6.340 -7.090 1.00 0.00 C ATOM 140 C SER A 21 87.029 -4.946 -7.099 1.00 0.00 C ATOM 141 O SER A 21 87.679 -3.975 -7.488 1.00 0.00 O ATOM 142 CB SER A 21 86.940 -7.215 -8.118 1.00 0.00 C ATOM 143 OG SER A 21 87.856 -7.723 -9.073 1.00 0.00 O ATOM 0 H SER A 21 86.645 -7.409 -5.596 1.00 0.00 H new ATOM 0 HA SER A 21 88.700 -6.254 -7.343 1.00 0.00 H new ATOM 0 HB2 SER A 21 86.440 -8.042 -7.614 1.00 0.00 H new ATOM 0 HB3 SER A 21 86.167 -6.636 -8.624 1.00 0.00 H new ATOM 0 HG SER A 21 87.378 -8.283 -9.720 1.00 0.00 H new ATOM 149 N LEU A 22 85.772 -4.846 -6.663 1.00 0.00 N ATOM 150 CA LEU A 22 85.089 -3.559 -6.624 1.00 0.00 C ATOM 151 C LEU A 22 85.837 -2.586 -5.720 1.00 0.00 C ATOM 152 O LEU A 22 85.658 -1.371 -5.811 1.00 0.00 O ATOM 153 CB LEU A 22 83.648 -3.729 -6.139 1.00 0.00 C ATOM 154 CG LEU A 22 83.502 -4.141 -4.676 1.00 0.00 C ATOM 155 CD1 LEU A 22 83.314 -2.918 -3.791 1.00 0.00 C ATOM 156 CD2 LEU A 22 82.338 -5.107 -4.506 1.00 0.00 C ATOM 0 H LEU A 22 85.214 -5.634 -6.336 1.00 0.00 H new ATOM 0 HA LEU A 22 85.069 -3.152 -7.635 1.00 0.00 H new ATOM 0 HB2 LEU A 22 83.117 -2.789 -6.291 1.00 0.00 H new ATOM 0 HB3 LEU A 22 83.157 -4.477 -6.762 1.00 0.00 H new ATOM 0 HG LEU A 22 84.417 -4.648 -4.370 1.00 0.00 H new ATOM 0 HD11 LEU A 22 83.212 -3.233 -2.752 1.00 0.00 H new ATOM 0 HD12 LEU A 22 84.179 -2.262 -3.888 1.00 0.00 H new ATOM 0 HD13 LEU A 22 82.416 -2.382 -4.098 1.00 0.00 H new ATOM 0 HD21 LEU A 22 82.250 -5.389 -3.457 1.00 0.00 H new ATOM 0 HD22 LEU A 22 81.416 -4.626 -4.831 1.00 0.00 H new ATOM 0 HD23 LEU A 22 82.514 -5.998 -5.108 1.00 0.00 H new ATOM 168 N SER A 23 86.685 -3.130 -4.852 1.00 0.00 N ATOM 169 CA SER A 23 87.472 -2.317 -3.935 1.00 0.00 C ATOM 170 C SER A 23 88.944 -2.297 -4.342 1.00 0.00 C ATOM 171 O SER A 23 89.740 -1.550 -3.773 1.00 0.00 O ATOM 172 CB SER A 23 87.333 -2.840 -2.505 1.00 0.00 C ATOM 173 OG SER A 23 85.986 -3.163 -2.207 1.00 0.00 O ATOM 0 H SER A 23 86.844 -4.134 -4.766 1.00 0.00 H new ATOM 0 HA SER A 23 87.090 -1.297 -3.980 1.00 0.00 H new ATOM 0 HB2 SER A 23 87.959 -3.723 -2.375 1.00 0.00 H new ATOM 0 HB3 SER A 23 87.693 -2.088 -1.803 1.00 0.00 H new ATOM 0 HG SER A 23 85.748 -4.008 -2.643 1.00 0.00 H new ATOM 179 N SER A 24 89.307 -3.119 -5.329 1.00 0.00 N ATOM 180 CA SER A 24 90.687 -3.177 -5.795 1.00 0.00 C ATOM 181 C SER A 24 91.140 -1.830 -6.350 1.00 0.00 C ATOM 182 O SER A 24 92.337 -1.565 -6.460 1.00 0.00 O ATOM 183 CB SER A 24 90.850 -4.265 -6.858 1.00 0.00 C ATOM 184 OG SER A 24 92.040 -5.006 -6.653 1.00 0.00 O ATOM 0 H SER A 24 88.668 -3.748 -5.815 1.00 0.00 H new ATOM 0 HA SER A 24 91.316 -3.422 -4.939 1.00 0.00 H new ATOM 0 HB2 SER A 24 89.991 -4.936 -6.831 1.00 0.00 H new ATOM 0 HB3 SER A 24 90.868 -3.810 -7.848 1.00 0.00 H new ATOM 0 HG SER A 24 92.351 -4.878 -5.733 1.00 0.00 H new ATOM 190 N TYR A 25 90.179 -0.976 -6.680 1.00 0.00 N ATOM 191 CA TYR A 25 90.480 0.348 -7.202 1.00 0.00 C ATOM 192 C TYR A 25 90.364 1.384 -6.092 1.00 0.00 C ATOM 193 O TYR A 25 90.839 2.512 -6.226 1.00 0.00 O ATOM 194 CB TYR A 25 89.540 0.699 -8.357 1.00 0.00 C ATOM 195 CG TYR A 25 90.150 0.479 -9.723 1.00 0.00 C ATOM 196 CD1 TYR A 25 90.638 -0.768 -10.094 1.00 0.00 C ATOM 197 CD2 TYR A 25 90.240 1.518 -10.641 1.00 0.00 C ATOM 198 CE1 TYR A 25 91.197 -0.973 -11.340 1.00 0.00 C ATOM 199 CE2 TYR A 25 90.797 1.320 -11.890 1.00 0.00 C ATOM 200 CZ TYR A 25 91.274 0.073 -12.235 1.00 0.00 C ATOM 201 OH TYR A 25 91.829 -0.128 -13.477 1.00 0.00 O ATOM 0 H TYR A 25 89.183 -1.179 -6.595 1.00 0.00 H new ATOM 0 HA TYR A 25 91.502 0.348 -7.581 1.00 0.00 H new ATOM 0 HB2 TYR A 25 88.634 0.099 -8.272 1.00 0.00 H new ATOM 0 HB3 TYR A 25 89.240 1.743 -8.266 1.00 0.00 H new ATOM 0 HD1 TYR A 25 90.579 -1.590 -9.396 1.00 0.00 H new ATOM 0 HD2 TYR A 25 89.869 2.496 -10.374 1.00 0.00 H new ATOM 0 HE1 TYR A 25 91.572 -1.948 -11.612 1.00 0.00 H new ATOM 0 HE2 TYR A 25 90.858 2.138 -12.593 1.00 0.00 H new ATOM 0 HH TYR A 25 91.805 0.710 -13.985 1.00 0.00 H new ATOM 211 N TRP A 26 89.751 0.980 -4.985 1.00 0.00 N ATOM 212 CA TRP A 26 89.595 1.855 -3.836 1.00 0.00 C ATOM 213 C TRP A 26 90.782 1.678 -2.902 1.00 0.00 C ATOM 214 O TRP A 26 91.154 2.591 -2.165 1.00 0.00 O ATOM 215 CB TRP A 26 88.290 1.552 -3.098 1.00 0.00 C ATOM 216 CG TRP A 26 88.010 2.500 -1.973 1.00 0.00 C ATOM 217 CD1 TRP A 26 88.655 2.560 -0.771 1.00 0.00 C ATOM 218 CD2 TRP A 26 87.009 3.524 -1.943 1.00 0.00 C ATOM 219 NE1 TRP A 26 88.118 3.558 0.004 1.00 0.00 N ATOM 220 CE2 TRP A 26 87.106 4.165 -0.693 1.00 0.00 C ATOM 221 CE3 TRP A 26 86.040 3.962 -2.851 1.00 0.00 C ATOM 222 CZ2 TRP A 26 86.271 5.220 -0.329 1.00 0.00 C ATOM 223 CZ3 TRP A 26 85.214 5.009 -2.489 1.00 0.00 C ATOM 224 CH2 TRP A 26 85.334 5.628 -1.238 1.00 0.00 C ATOM 0 H TRP A 26 89.354 0.049 -4.862 1.00 0.00 H new ATOM 0 HA TRP A 26 89.556 2.888 -4.181 1.00 0.00 H new ATOM 0 HB2 TRP A 26 87.463 1.587 -3.807 1.00 0.00 H new ATOM 0 HB3 TRP A 26 88.330 0.536 -2.706 1.00 0.00 H new ATOM 0 HD1 TRP A 26 89.469 1.916 -0.473 1.00 0.00 H new ATOM 0 HE1 TRP A 26 88.423 3.807 0.945 1.00 0.00 H new ATOM 0 HE3 TRP A 26 85.939 3.491 -3.817 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 86.361 5.698 0.635 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 84.463 5.356 -3.183 1.00 0.00 H new ATOM 0 HH2 TRP A 26 84.673 6.444 -0.986 1.00 0.00 H new ATOM 235 N GLU A 27 91.383 0.493 -2.957 1.00 0.00 N ATOM 236 CA GLU A 27 92.544 0.188 -2.134 1.00 0.00 C ATOM 237 C GLU A 27 93.819 0.680 -2.811 1.00 0.00 C ATOM 238 O GLU A 27 94.839 0.897 -2.155 1.00 0.00 O ATOM 239 CB GLU A 27 92.635 -1.316 -1.867 1.00 0.00 C ATOM 240 CG GLU A 27 92.891 -2.143 -3.116 1.00 0.00 C ATOM 241 CD GLU A 27 93.000 -3.627 -2.822 1.00 0.00 C ATOM 242 OE1 GLU A 27 93.149 -3.988 -1.636 1.00 0.00 O ATOM 243 OE2 GLU A 27 92.933 -4.428 -3.778 1.00 0.00 O ATOM 0 H GLU A 27 91.084 -0.270 -3.564 1.00 0.00 H new ATOM 0 HA GLU A 27 92.432 0.703 -1.180 1.00 0.00 H new ATOM 0 HB2 GLU A 27 93.434 -1.501 -1.149 1.00 0.00 H new ATOM 0 HB3 GLU A 27 91.707 -1.651 -1.404 1.00 0.00 H new ATOM 0 HG2 GLU A 27 92.084 -1.976 -3.829 1.00 0.00 H new ATOM 0 HG3 GLU A 27 93.811 -1.802 -3.591 1.00 0.00 H new ATOM 250 N SER A 28 93.750 0.865 -4.126 1.00 0.00 N ATOM 251 CA SER A 28 94.890 1.342 -4.891 1.00 0.00 C ATOM 252 C SER A 28 95.028 2.845 -4.739 1.00 0.00 C ATOM 253 O SER A 28 96.121 3.362 -4.504 1.00 0.00 O ATOM 254 CB SER A 28 94.723 0.978 -6.363 1.00 0.00 C ATOM 255 OG SER A 28 95.977 0.906 -7.020 1.00 0.00 O ATOM 0 H SER A 28 92.913 0.690 -4.682 1.00 0.00 H new ATOM 0 HA SER A 28 95.793 0.865 -4.510 1.00 0.00 H new ATOM 0 HB2 SER A 28 94.210 0.020 -6.447 1.00 0.00 H new ATOM 0 HB3 SER A 28 94.094 1.720 -6.855 1.00 0.00 H new ATOM 0 HG SER A 28 95.840 0.669 -7.961 1.00 0.00 H new ATOM 261 N ALA A 29 93.906 3.541 -4.859 1.00 0.00 N ATOM 262 CA ALA A 29 93.893 4.991 -4.717 1.00 0.00 C ATOM 263 C ALA A 29 94.608 5.401 -3.435 1.00 0.00 C ATOM 264 O ALA A 29 95.209 6.472 -3.358 1.00 0.00 O ATOM 265 CB ALA A 29 92.463 5.513 -4.724 1.00 0.00 C ATOM 0 H ALA A 29 92.995 3.127 -5.054 1.00 0.00 H new ATOM 0 HA ALA A 29 94.421 5.430 -5.563 1.00 0.00 H new ATOM 0 HB1 ALA A 29 92.471 6.598 -4.617 1.00 0.00 H new ATOM 0 HB2 ALA A 29 91.982 5.245 -5.665 1.00 0.00 H new ATOM 0 HB3 ALA A 29 91.910 5.071 -3.895 1.00 0.00 H new ATOM 271 N LYS A 30 94.548 4.524 -2.436 1.00 0.00 N ATOM 272 CA LYS A 30 95.201 4.773 -1.160 1.00 0.00 C ATOM 273 C LYS A 30 96.662 4.343 -1.223 1.00 0.00 C ATOM 274 O LYS A 30 97.518 4.916 -0.549 1.00 0.00 O ATOM 275 CB LYS A 30 94.481 4.025 -0.037 1.00 0.00 C ATOM 276 CG LYS A 30 94.409 4.806 1.266 1.00 0.00 C ATOM 277 CD LYS A 30 94.329 3.877 2.467 1.00 0.00 C ATOM 278 CE LYS A 30 95.689 3.698 3.124 1.00 0.00 C ATOM 279 NZ LYS A 30 95.584 3.629 4.608 1.00 0.00 N ATOM 0 H LYS A 30 94.052 3.634 -2.489 1.00 0.00 H new ATOM 0 HA LYS A 30 95.157 5.842 -0.951 1.00 0.00 H new ATOM 0 HB2 LYS A 30 93.469 3.784 -0.363 1.00 0.00 H new ATOM 0 HB3 LYS A 30 94.992 3.079 0.144 1.00 0.00 H new ATOM 0 HG2 LYS A 30 95.287 5.446 1.357 1.00 0.00 H new ATOM 0 HG3 LYS A 30 93.537 5.460 1.252 1.00 0.00 H new ATOM 0 HD2 LYS A 30 93.623 4.279 3.193 1.00 0.00 H new ATOM 0 HD3 LYS A 30 93.945 2.907 2.153 1.00 0.00 H new ATOM 0 HE2 LYS A 30 96.156 2.787 2.750 1.00 0.00 H new ATOM 0 HE3 LYS A 30 96.339 4.527 2.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 96.532 3.507 5.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 95.162 4.509 4.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 94.984 2.823 4.876 1.00 0.00 H new ATOM 293 N THR A 31 96.944 3.332 -2.045 1.00 0.00 N ATOM 294 CA THR A 31 98.303 2.834 -2.200 1.00 0.00 C ATOM 295 C THR A 31 99.192 3.892 -2.846 1.00 0.00 C ATOM 296 O THR A 31 100.389 3.966 -2.567 1.00 0.00 O ATOM 297 CB THR A 31 98.310 1.560 -3.046 1.00 0.00 C ATOM 298 OG1 THR A 31 97.273 0.684 -2.641 1.00 0.00 O ATOM 299 CG2 THR A 31 99.614 0.795 -2.966 1.00 0.00 C ATOM 0 H THR A 31 96.249 2.846 -2.611 1.00 0.00 H new ATOM 0 HA THR A 31 98.697 2.603 -1.210 1.00 0.00 H new ATOM 0 HB THR A 31 98.166 1.895 -4.073 1.00 0.00 H new ATOM 0 HG1 THR A 31 96.428 1.178 -2.590 1.00 0.00 H new ATOM 0 HG21 THR A 31 99.551 -0.097 -3.589 1.00 0.00 H new ATOM 0 HG22 THR A 31 100.429 1.427 -3.319 1.00 0.00 H new ATOM 0 HG23 THR A 31 99.802 0.503 -1.933 1.00 0.00 H new ATOM 307 N ALA A 32 98.597 4.713 -3.705 1.00 0.00 N ATOM 308 CA ALA A 32 99.334 5.772 -4.386 1.00 0.00 C ATOM 309 C ALA A 32 99.137 7.120 -3.698 1.00 0.00 C ATOM 310 O ALA A 32 99.564 8.155 -4.212 1.00 0.00 O ATOM 311 CB ALA A 32 98.908 5.854 -5.844 1.00 0.00 C ATOM 0 H ALA A 32 97.607 4.666 -3.946 1.00 0.00 H new ATOM 0 HA ALA A 32 100.395 5.527 -4.339 1.00 0.00 H new ATOM 0 HB1 ALA A 32 99.465 6.648 -6.342 1.00 0.00 H new ATOM 0 HB2 ALA A 32 99.112 4.903 -6.337 1.00 0.00 H new ATOM 0 HB3 ALA A 32 97.841 6.069 -5.900 1.00 0.00 H new ATOM 317 N ALA A 33 98.497 7.104 -2.532 1.00 0.00 N ATOM 318 CA ALA A 33 98.257 8.328 -1.778 1.00 0.00 C ATOM 319 C ALA A 33 99.400 8.593 -0.808 1.00 0.00 C ATOM 320 O ALA A 33 99.956 9.690 -0.773 1.00 0.00 O ATOM 321 CB ALA A 33 96.934 8.240 -1.032 1.00 0.00 C ATOM 0 H ALA A 33 98.136 6.258 -2.091 1.00 0.00 H new ATOM 0 HA ALA A 33 98.204 9.160 -2.480 1.00 0.00 H new ATOM 0 HB1 ALA A 33 96.769 9.162 -0.474 1.00 0.00 H new ATOM 0 HB2 ALA A 33 96.123 8.098 -1.746 1.00 0.00 H new ATOM 0 HB3 ALA A 33 96.961 7.397 -0.341 1.00 0.00 H new ATOM 327 N GLN A 34 99.751 7.578 -0.026 1.00 0.00 N ATOM 328 CA GLN A 34 100.836 7.698 0.941 1.00 0.00 C ATOM 329 C GLN A 34 102.144 8.063 0.244 1.00 0.00 C ATOM 330 O GLN A 34 103.055 8.614 0.862 1.00 0.00 O ATOM 331 CB GLN A 34 101.004 6.391 1.718 1.00 0.00 C ATOM 332 CG GLN A 34 101.536 6.587 3.129 1.00 0.00 C ATOM 333 CD GLN A 34 101.556 5.298 3.927 1.00 0.00 C ATOM 334 OE1 GLN A 34 102.612 4.844 4.368 1.00 0.00 O ATOM 335 NE2 GLN A 34 100.386 4.701 4.117 1.00 0.00 N ATOM 0 H GLN A 34 99.300 6.663 -0.043 1.00 0.00 H new ATOM 0 HA GLN A 34 100.582 8.495 1.640 1.00 0.00 H new ATOM 0 HB2 GLN A 34 100.042 5.882 1.769 1.00 0.00 H new ATOM 0 HB3 GLN A 34 101.682 5.737 1.170 1.00 0.00 H new ATOM 0 HG2 GLN A 34 102.545 6.995 3.080 1.00 0.00 H new ATOM 0 HG3 GLN A 34 100.920 7.322 3.647 1.00 0.00 H new ATOM 0 HE21 GLN A 34 99.535 5.113 3.733 1.00 0.00 H new ATOM 0 HE22 GLN A 34 100.338 3.831 4.647 1.00 0.00 H new ATOM 344 N ASN A 35 102.224 7.757 -1.046 1.00 0.00 N ATOM 345 CA ASN A 35 103.414 8.057 -1.831 1.00 0.00 C ATOM 346 C ASN A 35 103.478 9.543 -2.160 1.00 0.00 C ATOM 347 O ASN A 35 104.384 10.249 -1.719 1.00 0.00 O ATOM 348 CB ASN A 35 103.407 7.240 -3.123 1.00 0.00 C ATOM 349 CG ASN A 35 104.804 6.977 -3.649 1.00 0.00 C ATOM 350 OD1 ASN A 35 105.793 7.157 -2.937 1.00 0.00 O ATOM 351 ND2 ASN A 35 104.894 6.549 -4.903 1.00 0.00 N ATOM 0 H ASN A 35 101.477 7.301 -1.570 1.00 0.00 H new ATOM 0 HA ASN A 35 104.292 7.792 -1.242 1.00 0.00 H new ATOM 0 HB2 ASN A 35 102.904 6.290 -2.946 1.00 0.00 H new ATOM 0 HB3 ASN A 35 102.830 7.770 -3.881 1.00 0.00 H new ATOM 0 HD21 ASN A 35 105.808 6.356 -5.312 1.00 0.00 H new ATOM 0 HD22 ASN A 35 104.049 6.413 -5.457 1.00 0.00 H new ATOM 358 N LEU A 36 102.507 10.008 -2.939 1.00 0.00 N ATOM 359 CA LEU A 36 102.446 11.413 -3.329 1.00 0.00 C ATOM 360 C LEU A 36 102.390 12.314 -2.100 1.00 0.00 C ATOM 361 O LEU A 36 102.948 13.411 -2.097 1.00 0.00 O ATOM 362 CB LEU A 36 101.230 11.667 -4.221 1.00 0.00 C ATOM 363 CG LEU A 36 99.875 11.439 -3.548 1.00 0.00 C ATOM 364 CD1 LEU A 36 99.391 12.716 -2.880 1.00 0.00 C ATOM 365 CD2 LEU A 36 98.854 10.945 -4.562 1.00 0.00 C ATOM 0 H LEU A 36 101.752 9.433 -3.313 1.00 0.00 H new ATOM 0 HA LEU A 36 103.350 11.649 -3.890 1.00 0.00 H new ATOM 0 HB2 LEU A 36 101.271 12.695 -4.582 1.00 0.00 H new ATOM 0 HB3 LEU A 36 101.298 11.020 -5.095 1.00 0.00 H new ATOM 0 HG LEU A 36 99.995 10.674 -2.780 1.00 0.00 H new ATOM 0 HD11 LEU A 36 98.426 12.536 -2.406 1.00 0.00 H new ATOM 0 HD12 LEU A 36 100.113 13.028 -2.125 1.00 0.00 H new ATOM 0 HD13 LEU A 36 99.287 13.501 -3.629 1.00 0.00 H new ATOM 0 HD21 LEU A 36 97.896 10.788 -4.067 1.00 0.00 H new ATOM 0 HD22 LEU A 36 98.737 11.687 -5.352 1.00 0.00 H new ATOM 0 HD23 LEU A 36 99.197 10.005 -4.995 1.00 0.00 H new ATOM 377 N TYR A 37 101.716 11.841 -1.055 1.00 0.00 N ATOM 378 CA TYR A 37 101.593 12.604 0.182 1.00 0.00 C ATOM 379 C TYR A 37 102.963 12.918 0.775 1.00 0.00 C ATOM 380 O TYR A 37 103.100 13.822 1.598 1.00 0.00 O ATOM 381 CB TYR A 37 100.748 11.834 1.200 1.00 0.00 C ATOM 382 CG TYR A 37 99.287 12.223 1.195 1.00 0.00 C ATOM 383 CD1 TYR A 37 98.901 13.549 1.355 1.00 0.00 C ATOM 384 CD2 TYR A 37 98.294 11.266 1.029 1.00 0.00 C ATOM 385 CE1 TYR A 37 97.567 13.909 1.351 1.00 0.00 C ATOM 386 CE2 TYR A 37 96.956 11.619 1.024 1.00 0.00 C ATOM 387 CZ TYR A 37 96.599 12.941 1.185 1.00 0.00 C ATOM 388 OH TYR A 37 95.270 13.296 1.180 1.00 0.00 O ATOM 0 H TYR A 37 101.248 10.935 -1.041 1.00 0.00 H new ATOM 0 HA TYR A 37 101.099 13.546 -0.054 1.00 0.00 H new ATOM 0 HB2 TYR A 37 100.831 10.767 0.995 1.00 0.00 H new ATOM 0 HB3 TYR A 37 101.156 12.000 2.197 1.00 0.00 H new ATOM 0 HD1 TYR A 37 99.656 14.310 1.485 1.00 0.00 H new ATOM 0 HD2 TYR A 37 98.571 10.230 0.902 1.00 0.00 H new ATOM 0 HE1 TYR A 37 97.284 14.944 1.477 1.00 0.00 H new ATOM 0 HE2 TYR A 37 96.196 10.863 0.895 1.00 0.00 H new ATOM 0 HH TYR A 37 94.718 12.496 1.051 1.00 0.00 H new ATOM 398 N GLU A 38 103.972 12.169 0.347 1.00 0.00 N ATOM 399 CA GLU A 38 105.332 12.365 0.830 1.00 0.00 C ATOM 400 C GLU A 38 105.926 13.660 0.286 1.00 0.00 C ATOM 401 O GLU A 38 106.775 14.280 0.925 1.00 0.00 O ATOM 402 CB GLU A 38 106.214 11.181 0.427 1.00 0.00 C ATOM 403 CG GLU A 38 105.789 9.864 1.055 1.00 0.00 C ATOM 404 CD GLU A 38 106.671 9.464 2.221 1.00 0.00 C ATOM 405 OE1 GLU A 38 106.785 10.256 3.180 1.00 0.00 O ATOM 406 OE2 GLU A 38 107.251 8.358 2.176 1.00 0.00 O ATOM 0 H GLU A 38 103.873 11.418 -0.336 1.00 0.00 H new ATOM 0 HA GLU A 38 105.295 12.432 1.917 1.00 0.00 H new ATOM 0 HB2 GLU A 38 106.197 11.079 -0.658 1.00 0.00 H new ATOM 0 HB3 GLU A 38 107.245 11.393 0.711 1.00 0.00 H new ATOM 0 HG2 GLU A 38 104.757 9.944 1.396 1.00 0.00 H new ATOM 0 HG3 GLU A 38 105.815 9.080 0.299 1.00 0.00 H new ATOM 413 N LYS A 39 105.476 14.063 -0.898 1.00 0.00 N ATOM 414 CA LYS A 39 105.970 15.285 -1.525 1.00 0.00 C ATOM 415 C LYS A 39 104.868 16.334 -1.646 1.00 0.00 C ATOM 416 O LYS A 39 104.937 17.219 -2.498 1.00 0.00 O ATOM 417 CB LYS A 39 106.551 14.972 -2.907 1.00 0.00 C ATOM 418 CG LYS A 39 108.029 15.299 -3.034 1.00 0.00 C ATOM 419 CD LYS A 39 108.722 14.371 -4.017 1.00 0.00 C ATOM 420 CE LYS A 39 110.175 14.141 -3.637 1.00 0.00 C ATOM 421 NZ LYS A 39 110.326 13.015 -2.674 1.00 0.00 N ATOM 0 H LYS A 39 104.772 13.563 -1.442 1.00 0.00 H new ATOM 0 HA LYS A 39 106.755 15.693 -0.889 1.00 0.00 H new ATOM 0 HB2 LYS A 39 106.402 13.914 -3.124 1.00 0.00 H new ATOM 0 HB3 LYS A 39 105.997 15.533 -3.660 1.00 0.00 H new ATOM 0 HG2 LYS A 39 108.147 16.332 -3.362 1.00 0.00 H new ATOM 0 HG3 LYS A 39 108.506 15.218 -2.057 1.00 0.00 H new ATOM 0 HD2 LYS A 39 108.198 13.416 -4.049 1.00 0.00 H new ATOM 0 HD3 LYS A 39 108.670 14.797 -5.019 1.00 0.00 H new ATOM 0 HE2 LYS A 39 110.756 13.931 -4.535 1.00 0.00 H new ATOM 0 HE3 LYS A 39 110.584 15.051 -3.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 111.332 12.891 -2.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 109.792 13.226 -1.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 109.959 12.141 -3.102 1.00 0.00 H new ATOM 435 N THR A 40 103.854 16.236 -0.790 1.00 0.00 N ATOM 436 CA THR A 40 102.747 17.188 -0.814 1.00 0.00 C ATOM 437 C THR A 40 102.795 18.121 0.391 1.00 0.00 C ATOM 438 O THR A 40 103.190 19.281 0.275 1.00 0.00 O ATOM 439 CB THR A 40 101.405 16.456 -0.855 1.00 0.00 C ATOM 440 OG1 THR A 40 101.226 15.669 0.308 1.00 0.00 O ATOM 441 CG2 THR A 40 101.254 15.548 -2.056 1.00 0.00 C ATOM 0 H THR A 40 103.776 15.512 -0.076 1.00 0.00 H new ATOM 0 HA THR A 40 102.849 17.789 -1.718 1.00 0.00 H new ATOM 0 HB THR A 40 100.651 17.240 -0.918 1.00 0.00 H new ATOM 0 HG1 THR A 40 100.493 16.038 0.843 1.00 0.00 H new ATOM 0 HG21 THR A 40 100.280 15.060 -2.023 1.00 0.00 H new ATOM 0 HG22 THR A 40 101.334 16.137 -2.970 1.00 0.00 H new ATOM 0 HG23 THR A 40 102.039 14.792 -2.042 1.00 0.00 H new ATOM 449 N TYR A 41 102.380 17.610 1.543 1.00 0.00 N ATOM 450 CA TYR A 41 102.366 18.406 2.767 1.00 0.00 C ATOM 451 C TYR A 41 103.020 17.663 3.927 1.00 0.00 C ATOM 452 O TYR A 41 102.624 17.826 5.082 1.00 0.00 O ATOM 453 CB TYR A 41 100.930 18.774 3.138 1.00 0.00 C ATOM 454 CG TYR A 41 100.823 20.028 3.976 1.00 0.00 C ATOM 455 CD1 TYR A 41 101.075 21.279 3.426 1.00 0.00 C ATOM 456 CD2 TYR A 41 100.468 19.962 5.318 1.00 0.00 C ATOM 457 CE1 TYR A 41 100.977 22.426 4.188 1.00 0.00 C ATOM 458 CE2 TYR A 41 100.368 21.106 6.087 1.00 0.00 C ATOM 459 CZ TYR A 41 100.624 22.335 5.518 1.00 0.00 C ATOM 460 OH TYR A 41 100.526 23.476 6.280 1.00 0.00 O ATOM 0 H TYR A 41 102.049 16.652 1.657 1.00 0.00 H new ATOM 0 HA TYR A 41 102.940 19.313 2.578 1.00 0.00 H new ATOM 0 HB2 TYR A 41 100.350 18.907 2.224 1.00 0.00 H new ATOM 0 HB3 TYR A 41 100.480 17.944 3.683 1.00 0.00 H new ATOM 0 HD1 TYR A 41 101.352 21.355 2.385 1.00 0.00 H new ATOM 0 HD2 TYR A 41 100.267 19.001 5.767 1.00 0.00 H new ATOM 0 HE1 TYR A 41 101.176 23.390 3.744 1.00 0.00 H new ATOM 0 HE2 TYR A 41 100.091 21.037 7.129 1.00 0.00 H new ATOM 0 HH TYR A 41 100.267 23.237 7.194 1.00 0.00 H new ATOM 470 N LEU A 42 104.025 16.855 3.618 1.00 0.00 N ATOM 471 CA LEU A 42 104.736 16.093 4.641 1.00 0.00 C ATOM 472 C LEU A 42 103.777 15.205 5.431 1.00 0.00 C ATOM 473 O LEU A 42 103.029 15.687 6.282 1.00 0.00 O ATOM 474 CB LEU A 42 105.466 17.042 5.594 1.00 0.00 C ATOM 475 CG LEU A 42 106.833 17.525 5.107 1.00 0.00 C ATOM 476 CD1 LEU A 42 106.685 18.786 4.267 1.00 0.00 C ATOM 477 CD2 LEU A 42 107.760 17.774 6.286 1.00 0.00 C ATOM 0 H LEU A 42 104.368 16.709 2.668 1.00 0.00 H new ATOM 0 HA LEU A 42 105.463 15.454 4.140 1.00 0.00 H new ATOM 0 HB2 LEU A 42 104.833 17.911 5.772 1.00 0.00 H new ATOM 0 HB3 LEU A 42 105.596 16.540 6.553 1.00 0.00 H new ATOM 0 HG LEU A 42 107.272 16.747 4.483 1.00 0.00 H new ATOM 0 HD11 LEU A 42 107.668 19.115 3.929 1.00 0.00 H new ATOM 0 HD12 LEU A 42 106.056 18.575 3.402 1.00 0.00 H new ATOM 0 HD13 LEU A 42 106.226 19.571 4.867 1.00 0.00 H new ATOM 0 HD21 LEU A 42 108.728 18.117 5.921 1.00 0.00 H new ATOM 0 HD22 LEU A 42 107.326 18.535 6.935 1.00 0.00 H new ATOM 0 HD23 LEU A 42 107.891 16.849 6.848 1.00 0.00 H new ATOM 489 N PRO A 43 103.786 13.888 5.158 1.00 0.00 N ATOM 490 CA PRO A 43 102.921 12.933 5.840 1.00 0.00 C ATOM 491 C PRO A 43 103.544 12.396 7.126 1.00 0.00 C ATOM 492 O PRO A 43 102.929 11.604 7.841 1.00 0.00 O ATOM 493 CB PRO A 43 102.790 11.821 4.806 1.00 0.00 C ATOM 494 CG PRO A 43 104.105 11.814 4.098 1.00 0.00 C ATOM 495 CD PRO A 43 104.644 13.224 4.160 1.00 0.00 C ATOM 0 HA PRO A 43 101.975 13.374 6.154 1.00 0.00 H new ATOM 0 HB2 PRO A 43 102.589 10.860 5.279 1.00 0.00 H new ATOM 0 HB3 PRO A 43 101.969 12.015 4.116 1.00 0.00 H new ATOM 0 HG2 PRO A 43 104.795 11.116 4.572 1.00 0.00 H new ATOM 0 HG3 PRO A 43 103.985 11.492 3.064 1.00 0.00 H new ATOM 0 HD2 PRO A 43 105.692 13.238 4.461 1.00 0.00 H new ATOM 0 HD3 PRO A 43 104.584 13.718 3.190 1.00 0.00 H new ATOM 503 N ALA A 44 104.772 12.825 7.413 1.00 0.00 N ATOM 504 CA ALA A 44 105.479 12.382 8.609 1.00 0.00 C ATOM 505 C ALA A 44 105.857 10.910 8.518 1.00 0.00 C ATOM 506 O ALA A 44 106.289 10.315 9.504 1.00 0.00 O ATOM 507 CB ALA A 44 104.642 12.641 9.854 1.00 0.00 C ATOM 0 H ALA A 44 105.296 13.479 6.832 1.00 0.00 H new ATOM 0 HA ALA A 44 106.400 12.960 8.682 1.00 0.00 H new ATOM 0 HB1 ALA A 44 105.187 12.303 10.736 1.00 0.00 H new ATOM 0 HB2 ALA A 44 104.438 13.708 9.940 1.00 0.00 H new ATOM 0 HB3 ALA A 44 103.701 12.097 9.779 1.00 0.00 H new ATOM 513 N VAL A 45 105.723 10.328 7.329 1.00 0.00 N ATOM 514 CA VAL A 45 106.088 8.932 7.140 1.00 0.00 C ATOM 515 C VAL A 45 107.603 8.815 7.110 1.00 0.00 C ATOM 516 O VAL A 45 108.173 7.822 7.555 1.00 0.00 O ATOM 517 CB VAL A 45 105.510 8.332 5.844 1.00 0.00 C ATOM 518 CG1 VAL A 45 105.433 6.816 5.947 1.00 0.00 C ATOM 519 CG2 VAL A 45 104.138 8.915 5.520 1.00 0.00 C ATOM 0 H VAL A 45 105.369 10.796 6.494 1.00 0.00 H new ATOM 0 HA VAL A 45 105.665 8.370 7.973 1.00 0.00 H new ATOM 0 HB VAL A 45 106.183 8.595 5.028 1.00 0.00 H new ATOM 0 HG11 VAL A 45 105.022 6.409 5.023 1.00 0.00 H new ATOM 0 HG12 VAL A 45 106.432 6.411 6.110 1.00 0.00 H new ATOM 0 HG13 VAL A 45 104.789 6.540 6.782 1.00 0.00 H new ATOM 0 HG21 VAL A 45 103.761 8.469 4.600 1.00 0.00 H new ATOM 0 HG22 VAL A 45 103.449 8.699 6.337 1.00 0.00 H new ATOM 0 HG23 VAL A 45 104.222 9.994 5.392 1.00 0.00 H new ATOM 529 N ASP A 46 108.257 9.856 6.605 1.00 0.00 N ATOM 530 CA ASP A 46 109.708 9.882 6.550 1.00 0.00 C ATOM 531 C ASP A 46 110.273 9.840 7.965 1.00 0.00 C ATOM 532 O ASP A 46 111.394 9.383 8.187 1.00 0.00 O ATOM 533 CB ASP A 46 110.196 11.137 5.823 1.00 0.00 C ATOM 534 CG ASP A 46 111.607 10.985 5.290 1.00 0.00 C ATOM 535 OD1 ASP A 46 111.770 10.405 4.197 1.00 0.00 O ATOM 536 OD2 ASP A 46 112.550 11.447 5.967 1.00 0.00 O ATOM 0 H ASP A 46 107.804 10.689 6.230 1.00 0.00 H new ATOM 0 HA ASP A 46 110.057 9.010 5.997 1.00 0.00 H new ATOM 0 HB2 ASP A 46 109.521 11.361 4.997 1.00 0.00 H new ATOM 0 HB3 ASP A 46 110.158 11.986 6.505 1.00 0.00 H new ATOM 541 N GLU A 47 109.476 10.315 8.923 1.00 0.00 N ATOM 542 CA GLU A 47 109.881 10.323 10.322 1.00 0.00 C ATOM 543 C GLU A 47 109.154 9.228 11.102 1.00 0.00 C ATOM 544 O GLU A 47 109.589 8.831 12.183 1.00 0.00 O ATOM 545 CB GLU A 47 109.595 11.688 10.949 1.00 0.00 C ATOM 546 CG GLU A 47 110.589 12.765 10.544 1.00 0.00 C ATOM 547 CD GLU A 47 111.758 12.869 11.502 1.00 0.00 C ATOM 548 OE1 GLU A 47 111.613 12.437 12.665 1.00 0.00 O ATOM 549 OE2 GLU A 47 112.819 13.383 11.090 1.00 0.00 O ATOM 0 H GLU A 47 108.547 10.699 8.752 1.00 0.00 H new ATOM 0 HA GLU A 47 110.953 10.129 10.368 1.00 0.00 H new ATOM 0 HB2 GLU A 47 108.592 12.006 10.665 1.00 0.00 H new ATOM 0 HB3 GLU A 47 109.602 11.588 12.034 1.00 0.00 H new ATOM 0 HG2 GLU A 47 110.963 12.551 9.543 1.00 0.00 H new ATOM 0 HG3 GLU A 47 110.078 13.726 10.495 1.00 0.00 H new ATOM 556 N LYS A 48 108.044 8.743 10.547 1.00 0.00 N ATOM 557 CA LYS A 48 107.260 7.696 11.193 1.00 0.00 C ATOM 558 C LYS A 48 107.648 6.318 10.667 1.00 0.00 C ATOM 559 O LYS A 48 107.870 5.392 11.443 1.00 0.00 O ATOM 560 CB LYS A 48 105.764 7.936 10.973 1.00 0.00 C ATOM 561 CG LYS A 48 105.174 8.987 11.899 1.00 0.00 C ATOM 562 CD LYS A 48 103.779 8.602 12.364 1.00 0.00 C ATOM 563 CE LYS A 48 102.719 9.045 11.371 1.00 0.00 C ATOM 564 NZ LYS A 48 102.062 10.314 11.787 1.00 0.00 N ATOM 0 H LYS A 48 107.669 9.059 9.653 1.00 0.00 H new ATOM 0 HA LYS A 48 107.473 7.729 12.262 1.00 0.00 H new ATOM 0 HB2 LYS A 48 105.602 8.242 9.940 1.00 0.00 H new ATOM 0 HB3 LYS A 48 105.229 6.997 11.115 1.00 0.00 H new ATOM 0 HG2 LYS A 48 105.824 9.117 12.764 1.00 0.00 H new ATOM 0 HG3 LYS A 48 105.135 9.946 11.383 1.00 0.00 H new ATOM 0 HD2 LYS A 48 103.724 7.522 12.498 1.00 0.00 H new ATOM 0 HD3 LYS A 48 103.580 9.054 13.336 1.00 0.00 H new ATOM 0 HE2 LYS A 48 103.174 9.177 10.389 1.00 0.00 H new ATOM 0 HE3 LYS A 48 101.966 8.263 11.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 101.345 10.581 11.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 101.605 10.182 12.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 102.776 11.067 11.858 1.00 0.00 H new ATOM 578 N LEU A 49 107.725 6.184 9.348 1.00 0.00 N ATOM 579 CA LEU A 49 108.088 4.906 8.739 1.00 0.00 C ATOM 580 C LEU A 49 109.520 4.504 9.096 1.00 0.00 C ATOM 581 O LEU A 49 109.911 3.352 8.913 1.00 0.00 O ATOM 582 CB LEU A 49 107.934 4.975 7.218 1.00 0.00 C ATOM 583 CG LEU A 49 107.200 3.791 6.587 1.00 0.00 C ATOM 584 CD1 LEU A 49 108.013 2.515 6.741 1.00 0.00 C ATOM 585 CD2 LEU A 49 105.822 3.626 7.211 1.00 0.00 C ATOM 0 H LEU A 49 107.543 6.936 8.683 1.00 0.00 H new ATOM 0 HA LEU A 49 107.411 4.149 9.135 1.00 0.00 H new ATOM 0 HB2 LEU A 49 107.401 5.891 6.963 1.00 0.00 H new ATOM 0 HB3 LEU A 49 108.925 5.048 6.771 1.00 0.00 H new ATOM 0 HG LEU A 49 107.075 3.991 5.523 1.00 0.00 H new ATOM 0 HD11 LEU A 49 107.475 1.683 6.286 1.00 0.00 H new ATOM 0 HD12 LEU A 49 108.977 2.636 6.248 1.00 0.00 H new ATOM 0 HD13 LEU A 49 108.170 2.309 7.800 1.00 0.00 H new ATOM 0 HD21 LEU A 49 105.313 2.779 6.751 1.00 0.00 H new ATOM 0 HD22 LEU A 49 105.926 3.449 8.281 1.00 0.00 H new ATOM 0 HD23 LEU A 49 105.238 4.532 7.049 1.00 0.00 H new ATOM 597 N ARG A 50 110.302 5.457 9.597 1.00 0.00 N ATOM 598 CA ARG A 50 111.689 5.189 9.965 1.00 0.00 C ATOM 599 C ARG A 50 111.852 5.059 11.477 1.00 0.00 C ATOM 600 O ARG A 50 112.751 4.366 11.953 1.00 0.00 O ATOM 601 CB ARG A 50 112.598 6.302 9.439 1.00 0.00 C ATOM 602 CG ARG A 50 114.062 5.904 9.357 1.00 0.00 C ATOM 603 CD ARG A 50 114.330 4.992 8.170 1.00 0.00 C ATOM 604 NE ARG A 50 114.703 3.643 8.591 1.00 0.00 N ATOM 605 CZ ARG A 50 115.904 3.320 9.066 1.00 0.00 C ATOM 606 NH1 ARG A 50 116.849 4.244 9.184 1.00 0.00 N ATOM 607 NH2 ARG A 50 116.159 2.070 9.427 1.00 0.00 N ATOM 0 H ARG A 50 110.000 6.418 9.757 1.00 0.00 H new ATOM 0 HA ARG A 50 111.975 4.240 9.511 1.00 0.00 H new ATOM 0 HB2 ARG A 50 112.256 6.602 8.449 1.00 0.00 H new ATOM 0 HB3 ARG A 50 112.503 7.174 10.086 1.00 0.00 H new ATOM 0 HG2 ARG A 50 114.679 6.799 9.275 1.00 0.00 H new ATOM 0 HG3 ARG A 50 114.354 5.399 10.278 1.00 0.00 H new ATOM 0 HD2 ARG A 50 113.440 4.943 7.542 1.00 0.00 H new ATOM 0 HD3 ARG A 50 115.128 5.415 7.560 1.00 0.00 H new ATOM 0 HE ARG A 50 114.002 2.906 8.517 1.00 0.00 H new ATOM 0 HH11 ARG A 50 116.657 5.208 8.910 1.00 0.00 H new ATOM 0 HH12 ARG A 50 117.767 3.991 9.549 1.00 0.00 H new ATOM 0 HH21 ARG A 50 115.435 1.356 9.341 1.00 0.00 H new ATOM 0 HH22 ARG A 50 117.079 1.822 9.791 1.00 0.00 H new ATOM 621 N ASP A 51 110.987 5.730 12.229 1.00 0.00 N ATOM 622 CA ASP A 51 111.050 5.686 13.687 1.00 0.00 C ATOM 623 C ASP A 51 110.040 4.695 14.257 1.00 0.00 C ATOM 624 O ASP A 51 110.210 4.193 15.367 1.00 0.00 O ATOM 625 CB ASP A 51 110.803 7.078 14.272 1.00 0.00 C ATOM 626 CG ASP A 51 111.613 7.329 15.529 1.00 0.00 C ATOM 627 OD1 ASP A 51 111.152 6.937 16.621 1.00 0.00 O ATOM 628 OD2 ASP A 51 112.709 7.918 15.421 1.00 0.00 O ATOM 0 H ASP A 51 110.235 6.310 11.856 1.00 0.00 H new ATOM 0 HA ASP A 51 112.049 5.351 13.967 1.00 0.00 H new ATOM 0 HB2 ASP A 51 111.052 7.832 13.526 1.00 0.00 H new ATOM 0 HB3 ASP A 51 109.743 7.191 14.498 1.00 0.00 H new ATOM 633 N LEU A 52 108.990 4.414 13.492 1.00 0.00 N ATOM 634 CA LEU A 52 107.960 3.477 13.927 1.00 0.00 C ATOM 635 C LEU A 52 108.313 2.044 13.531 1.00 0.00 C ATOM 636 O LEU A 52 107.467 1.152 13.578 1.00 0.00 O ATOM 637 CB LEU A 52 106.604 3.863 13.331 1.00 0.00 C ATOM 638 CG LEU A 52 105.389 3.431 14.154 1.00 0.00 C ATOM 639 CD1 LEU A 52 105.339 4.191 15.470 1.00 0.00 C ATOM 640 CD2 LEU A 52 104.108 3.643 13.363 1.00 0.00 C ATOM 0 H LEU A 52 108.830 4.820 12.570 1.00 0.00 H new ATOM 0 HA LEU A 52 107.901 3.527 15.014 1.00 0.00 H new ATOM 0 HB2 LEU A 52 106.574 4.945 13.207 1.00 0.00 H new ATOM 0 HB3 LEU A 52 106.524 3.426 12.336 1.00 0.00 H new ATOM 0 HG LEU A 52 105.483 2.368 14.376 1.00 0.00 H new ATOM 0 HD11 LEU A 52 104.468 3.871 16.042 1.00 0.00 H new ATOM 0 HD12 LEU A 52 106.244 3.988 16.042 1.00 0.00 H new ATOM 0 HD13 LEU A 52 105.269 5.260 15.270 1.00 0.00 H new ATOM 0 HD21 LEU A 52 103.254 3.330 13.963 1.00 0.00 H new ATOM 0 HD22 LEU A 52 104.007 4.698 13.110 1.00 0.00 H new ATOM 0 HD23 LEU A 52 104.144 3.052 12.448 1.00 0.00 H new ATOM 652 N TYR A 53 109.568 1.830 13.146 1.00 0.00 N ATOM 653 CA TYR A 53 110.033 0.510 12.749 1.00 0.00 C ATOM 654 C TYR A 53 110.943 -0.080 13.820 1.00 0.00 C ATOM 655 O TYR A 53 110.774 -1.227 14.234 1.00 0.00 O ATOM 656 CB TYR A 53 110.773 0.596 11.413 1.00 0.00 C ATOM 657 CG TYR A 53 110.192 -0.294 10.338 1.00 0.00 C ATOM 658 CD1 TYR A 53 109.158 0.151 9.524 1.00 0.00 C ATOM 659 CD2 TYR A 53 110.677 -1.581 10.136 1.00 0.00 C ATOM 660 CE1 TYR A 53 108.624 -0.659 8.540 1.00 0.00 C ATOM 661 CE2 TYR A 53 110.149 -2.397 9.155 1.00 0.00 C ATOM 662 CZ TYR A 53 109.123 -1.932 8.360 1.00 0.00 C ATOM 663 OH TYR A 53 108.593 -2.742 7.381 1.00 0.00 O ATOM 0 H TYR A 53 110.281 2.558 13.101 1.00 0.00 H new ATOM 0 HA TYR A 53 109.169 -0.144 12.633 1.00 0.00 H new ATOM 0 HB2 TYR A 53 110.757 1.629 11.065 1.00 0.00 H new ATOM 0 HB3 TYR A 53 111.818 0.328 11.569 1.00 0.00 H new ATOM 0 HD1 TYR A 53 108.765 1.147 9.663 1.00 0.00 H new ATOM 0 HD2 TYR A 53 111.480 -1.949 10.757 1.00 0.00 H new ATOM 0 HE1 TYR A 53 107.821 -0.297 7.916 1.00 0.00 H new ATOM 0 HE2 TYR A 53 110.538 -3.394 9.011 1.00 0.00 H new ATOM 0 HH TYR A 53 109.056 -3.606 7.385 1.00 0.00 H new ATOM 673 N SER A 54 111.903 0.718 14.270 1.00 0.00 N ATOM 674 CA SER A 54 112.841 0.285 15.298 1.00 0.00 C ATOM 675 C SER A 54 113.641 -0.926 14.836 1.00 0.00 C ATOM 676 O SER A 54 113.671 -1.959 15.506 1.00 0.00 O ATOM 677 CB SER A 54 112.095 -0.040 16.593 1.00 0.00 C ATOM 678 OG SER A 54 111.357 1.079 17.053 1.00 0.00 O ATOM 0 H SER A 54 112.053 1.671 13.938 1.00 0.00 H new ATOM 0 HA SER A 54 113.538 1.102 15.484 1.00 0.00 H new ATOM 0 HB2 SER A 54 111.421 -0.880 16.427 1.00 0.00 H new ATOM 0 HB3 SER A 54 112.807 -0.349 17.358 1.00 0.00 H new ATOM 0 HG SER A 54 110.888 0.844 17.881 1.00 0.00 H new ATOM 684 N LYS A 55 114.289 -0.792 13.685 1.00 0.00 N ATOM 685 CA LYS A 55 115.091 -1.876 13.131 1.00 0.00 C ATOM 686 C LYS A 55 114.249 -3.130 12.920 1.00 0.00 C ATOM 687 O LYS A 55 114.784 -4.233 12.815 1.00 0.00 O ATOM 688 CB LYS A 55 116.269 -2.189 14.055 1.00 0.00 C ATOM 689 CG LYS A 55 117.515 -1.372 13.752 1.00 0.00 C ATOM 690 CD LYS A 55 118.653 -1.723 14.697 1.00 0.00 C ATOM 691 CE LYS A 55 120.003 -1.611 14.008 1.00 0.00 C ATOM 692 NZ LYS A 55 120.389 -2.880 13.333 1.00 0.00 N ATOM 0 H LYS A 55 114.275 0.056 13.118 1.00 0.00 H new ATOM 0 HA LYS A 55 115.471 -1.552 12.162 1.00 0.00 H new ATOM 0 HB2 LYS A 55 115.968 -2.008 15.087 1.00 0.00 H new ATOM 0 HB3 LYS A 55 116.511 -3.249 13.975 1.00 0.00 H new ATOM 0 HG2 LYS A 55 117.827 -1.550 12.723 1.00 0.00 H new ATOM 0 HG3 LYS A 55 117.285 -0.310 13.836 1.00 0.00 H new ATOM 0 HD2 LYS A 55 118.628 -1.059 15.561 1.00 0.00 H new ATOM 0 HD3 LYS A 55 118.517 -2.738 15.071 1.00 0.00 H new ATOM 0 HE2 LYS A 55 119.970 -0.805 13.275 1.00 0.00 H new ATOM 0 HE3 LYS A 55 120.764 -1.344 14.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 121.315 -3.194 13.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 119.676 -3.610 13.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 120.447 -2.723 12.306 1.00 0.00 H new ATOM 706 N SER A 56 112.929 -2.959 12.853 1.00 0.00 N ATOM 707 CA SER A 56 112.026 -4.088 12.646 1.00 0.00 C ATOM 708 C SER A 56 112.489 -4.927 11.460 1.00 0.00 C ATOM 709 O SER A 56 112.498 -6.157 11.518 1.00 0.00 O ATOM 710 CB SER A 56 110.595 -3.594 12.417 1.00 0.00 C ATOM 711 OG SER A 56 109.721 -4.082 13.419 1.00 0.00 O ATOM 0 H SER A 56 112.464 -2.055 12.939 1.00 0.00 H new ATOM 0 HA SER A 56 112.040 -4.710 13.541 1.00 0.00 H new ATOM 0 HB2 SER A 56 110.579 -2.504 12.415 1.00 0.00 H new ATOM 0 HB3 SER A 56 110.247 -3.919 11.437 1.00 0.00 H new ATOM 0 HG SER A 56 108.814 -3.751 13.251 1.00 0.00 H new ATOM 717 N THR A 57 112.881 -4.246 10.391 1.00 0.00 N ATOM 718 CA THR A 57 113.361 -4.911 9.188 1.00 0.00 C ATOM 719 C THR A 57 114.396 -4.052 8.471 1.00 0.00 C ATOM 720 O THR A 57 114.651 -4.234 7.281 1.00 0.00 O ATOM 721 CB THR A 57 112.198 -5.219 8.249 1.00 0.00 C ATOM 722 OG1 THR A 57 111.094 -5.736 8.971 1.00 0.00 O ATOM 723 CG2 THR A 57 112.548 -6.214 7.165 1.00 0.00 C ATOM 0 H THR A 57 112.875 -3.228 10.333 1.00 0.00 H new ATOM 0 HA THR A 57 113.833 -5.848 9.485 1.00 0.00 H new ATOM 0 HB THR A 57 111.950 -4.269 7.776 1.00 0.00 H new ATOM 0 HG1 THR A 57 110.358 -5.926 8.352 1.00 0.00 H new ATOM 0 HG21 THR A 57 111.676 -6.387 6.534 1.00 0.00 H new ATOM 0 HG22 THR A 57 113.363 -5.819 6.558 1.00 0.00 H new ATOM 0 HG23 THR A 57 112.858 -7.154 7.621 1.00 0.00 H new ATOM 731 N ALA A 58 114.999 -3.127 9.207 1.00 0.00 N ATOM 732 CA ALA A 58 116.017 -2.253 8.645 1.00 0.00 C ATOM 733 C ALA A 58 117.332 -3.006 8.531 1.00 0.00 C ATOM 734 O ALA A 58 118.036 -2.908 7.525 1.00 0.00 O ATOM 735 CB ALA A 58 116.185 -1.008 9.502 1.00 0.00 C ATOM 0 H ALA A 58 114.800 -2.964 10.194 1.00 0.00 H new ATOM 0 HA ALA A 58 115.703 -1.937 7.650 1.00 0.00 H new ATOM 0 HB1 ALA A 58 116.951 -0.367 9.066 1.00 0.00 H new ATOM 0 HB2 ALA A 58 115.240 -0.467 9.546 1.00 0.00 H new ATOM 0 HB3 ALA A 58 116.485 -1.297 10.509 1.00 0.00 H new ATOM 741 N ALA A 59 117.644 -3.775 9.566 1.00 0.00 N ATOM 742 CA ALA A 59 118.862 -4.569 9.584 1.00 0.00 C ATOM 743 C ALA A 59 118.775 -5.700 8.565 1.00 0.00 C ATOM 744 O ALA A 59 119.792 -6.167 8.054 1.00 0.00 O ATOM 745 CB ALA A 59 119.113 -5.124 10.978 1.00 0.00 C ATOM 0 H ALA A 59 117.069 -3.865 10.404 1.00 0.00 H new ATOM 0 HA ALA A 59 119.699 -3.926 9.314 1.00 0.00 H new ATOM 0 HB1 ALA A 59 120.028 -5.716 10.975 1.00 0.00 H new ATOM 0 HB2 ALA A 59 119.216 -4.300 11.684 1.00 0.00 H new ATOM 0 HB3 ALA A 59 118.275 -5.754 11.275 1.00 0.00 H new ATOM 751 N MET A 60 117.550 -6.133 8.267 1.00 0.00 N ATOM 752 CA MET A 60 117.336 -7.203 7.301 1.00 0.00 C ATOM 753 C MET A 60 117.701 -6.733 5.897 1.00 0.00 C ATOM 754 O MET A 60 118.150 -7.519 5.063 1.00 0.00 O ATOM 755 CB MET A 60 115.879 -7.671 7.338 1.00 0.00 C ATOM 756 CG MET A 60 115.687 -9.001 8.047 1.00 0.00 C ATOM 757 SD MET A 60 115.147 -8.804 9.757 1.00 0.00 S ATOM 758 CE MET A 60 114.873 -10.511 10.223 1.00 0.00 C ATOM 0 H MET A 60 116.696 -5.759 8.680 1.00 0.00 H new ATOM 0 HA MET A 60 117.980 -8.041 7.567 1.00 0.00 H new ATOM 0 HB2 MET A 60 115.275 -6.913 7.836 1.00 0.00 H new ATOM 0 HB3 MET A 60 115.507 -7.756 6.317 1.00 0.00 H new ATOM 0 HG2 MET A 60 114.952 -9.595 7.504 1.00 0.00 H new ATOM 0 HG3 MET A 60 116.624 -9.557 8.028 1.00 0.00 H new ATOM 0 HE1 MET A 60 114.534 -10.556 11.258 1.00 0.00 H new ATOM 0 HE2 MET A 60 114.114 -10.948 9.574 1.00 0.00 H new ATOM 0 HE3 MET A 60 115.803 -11.070 10.121 1.00 0.00 H new ATOM 768 N SER A 61 117.510 -5.441 5.645 1.00 0.00 N ATOM 769 CA SER A 61 117.823 -4.859 4.345 1.00 0.00 C ATOM 770 C SER A 61 119.236 -4.291 4.335 1.00 0.00 C ATOM 771 O SER A 61 120.138 -4.856 3.717 1.00 0.00 O ATOM 772 CB SER A 61 116.816 -3.759 4.001 1.00 0.00 C ATOM 773 OG SER A 61 116.760 -2.779 5.023 1.00 0.00 O ATOM 0 H SER A 61 117.140 -4.777 6.325 1.00 0.00 H new ATOM 0 HA SER A 61 117.760 -5.647 3.594 1.00 0.00 H new ATOM 0 HB2 SER A 61 117.094 -3.289 3.058 1.00 0.00 H new ATOM 0 HB3 SER A 61 115.828 -4.198 3.859 1.00 0.00 H new ATOM 0 HG SER A 61 116.111 -2.087 4.778 1.00 0.00 H new ATOM 779 N THR A 62 119.421 -3.168 5.024 1.00 0.00 N ATOM 780 CA THR A 62 120.715 -2.518 5.104 1.00 0.00 C ATOM 781 C THR A 62 121.220 -2.119 3.726 1.00 0.00 C ATOM 782 O THR A 62 122.362 -1.688 3.586 1.00 0.00 O ATOM 783 CB THR A 62 121.703 -3.464 5.733 1.00 0.00 C ATOM 784 OG1 THR A 62 121.243 -3.916 6.996 1.00 0.00 O ATOM 785 CG2 THR A 62 123.086 -2.878 5.919 1.00 0.00 C ATOM 0 H THR A 62 118.680 -2.690 5.537 1.00 0.00 H new ATOM 0 HA THR A 62 120.609 -1.616 5.706 1.00 0.00 H new ATOM 0 HB THR A 62 121.782 -4.290 5.027 1.00 0.00 H new ATOM 0 HG1 THR A 62 120.759 -4.761 6.885 1.00 0.00 H new ATOM 0 HG21 THR A 62 123.738 -3.622 6.377 1.00 0.00 H new ATOM 0 HG22 THR A 62 123.492 -2.588 4.950 1.00 0.00 H new ATOM 0 HG23 THR A 62 123.026 -2.001 6.564 1.00 0.00 H new ATOM 793 N TYR A 63 120.374 -2.267 2.711 1.00 0.00 N ATOM 794 CA TYR A 63 120.746 -1.920 1.348 1.00 0.00 C ATOM 795 C TYR A 63 121.517 -0.611 1.316 1.00 0.00 C ATOM 796 O TYR A 63 122.373 -0.403 0.459 1.00 0.00 O ATOM 797 CB TYR A 63 119.507 -1.809 0.471 1.00 0.00 C ATOM 798 CG TYR A 63 119.125 -3.101 -0.215 1.00 0.00 C ATOM 799 CD1 TYR A 63 119.828 -3.554 -1.325 1.00 0.00 C ATOM 800 CD2 TYR A 63 118.064 -3.868 0.248 1.00 0.00 C ATOM 801 CE1 TYR A 63 119.482 -4.734 -1.955 1.00 0.00 C ATOM 802 CE2 TYR A 63 117.712 -5.050 -0.377 1.00 0.00 C ATOM 803 CZ TYR A 63 118.424 -5.479 -1.477 1.00 0.00 C ATOM 804 OH TYR A 63 118.078 -6.655 -2.101 1.00 0.00 O ATOM 0 H TYR A 63 119.424 -2.626 2.810 1.00 0.00 H new ATOM 0 HA TYR A 63 121.387 -2.713 0.961 1.00 0.00 H new ATOM 0 HB2 TYR A 63 118.670 -1.472 1.083 1.00 0.00 H new ATOM 0 HB3 TYR A 63 119.677 -1.043 -0.286 1.00 0.00 H new ATOM 0 HD1 TYR A 63 120.658 -2.974 -1.701 1.00 0.00 H new ATOM 0 HD2 TYR A 63 117.505 -3.536 1.110 1.00 0.00 H new ATOM 0 HE1 TYR A 63 120.037 -5.072 -2.818 1.00 0.00 H new ATOM 0 HE2 TYR A 63 116.883 -5.634 -0.005 1.00 0.00 H new ATOM 0 HH TYR A 63 117.313 -7.057 -1.639 1.00 0.00 H new ATOM 814 N THR A 64 121.221 0.265 2.270 1.00 0.00 N ATOM 815 CA THR A 64 121.906 1.546 2.363 1.00 0.00 C ATOM 816 C THR A 64 123.418 1.339 2.318 1.00 0.00 C ATOM 817 O THR A 64 124.163 2.223 1.894 1.00 0.00 O ATOM 818 CB THR A 64 121.513 2.269 3.652 1.00 0.00 C ATOM 819 OG1 THR A 64 120.140 2.071 3.939 1.00 0.00 O ATOM 820 CG2 THR A 64 121.760 3.762 3.600 1.00 0.00 C ATOM 0 H THR A 64 120.513 0.111 2.988 1.00 0.00 H new ATOM 0 HA THR A 64 121.608 2.161 1.514 1.00 0.00 H new ATOM 0 HB THR A 64 122.145 1.839 4.429 1.00 0.00 H new ATOM 0 HG1 THR A 64 119.908 2.540 4.768 1.00 0.00 H new ATOM 0 HG21 THR A 64 121.460 4.214 4.546 1.00 0.00 H new ATOM 0 HG22 THR A 64 122.820 3.950 3.429 1.00 0.00 H new ATOM 0 HG23 THR A 64 121.178 4.199 2.788 1.00 0.00 H new ATOM 828 N GLY A 65 123.864 0.159 2.754 1.00 0.00 N ATOM 829 CA GLY A 65 125.281 -0.143 2.747 1.00 0.00 C ATOM 830 C GLY A 65 125.730 -0.815 1.460 1.00 0.00 C ATOM 831 O GLY A 65 126.927 -0.890 1.183 1.00 0.00 O ATOM 0 H GLY A 65 123.268 -0.588 3.110 1.00 0.00 H new ATOM 0 HA2 GLY A 65 125.846 0.779 2.887 1.00 0.00 H new ATOM 0 HA3 GLY A 65 125.515 -0.791 3.591 1.00 0.00 H new ATOM 835 N ILE A 66 124.774 -1.307 0.671 1.00 0.00 N ATOM 836 CA ILE A 66 125.097 -1.973 -0.585 1.00 0.00 C ATOM 837 C ILE A 66 124.699 -1.121 -1.788 1.00 0.00 C ATOM 838 O ILE A 66 125.129 -1.387 -2.909 1.00 0.00 O ATOM 839 CB ILE A 66 124.395 -3.340 -0.694 1.00 0.00 C ATOM 840 CG1 ILE A 66 124.495 -4.107 0.629 1.00 0.00 C ATOM 841 CG2 ILE A 66 124.994 -4.155 -1.834 1.00 0.00 C ATOM 842 CD1 ILE A 66 123.149 -4.436 1.237 1.00 0.00 C ATOM 0 H ILE A 66 123.777 -1.256 0.880 1.00 0.00 H new ATOM 0 HA ILE A 66 126.177 -2.120 -0.588 1.00 0.00 H new ATOM 0 HB ILE A 66 123.340 -3.169 -0.909 1.00 0.00 H new ATOM 0 HG12 ILE A 66 125.046 -5.033 0.463 1.00 0.00 H new ATOM 0 HG13 ILE A 66 125.072 -3.516 1.340 1.00 0.00 H new ATOM 0 HG21 ILE A 66 124.487 -5.118 -1.898 1.00 0.00 H new ATOM 0 HG22 ILE A 66 124.868 -3.615 -2.773 1.00 0.00 H new ATOM 0 HG23 ILE A 66 126.056 -4.315 -1.648 1.00 0.00 H new ATOM 0 HD11 ILE A 66 123.295 -4.979 2.171 1.00 0.00 H new ATOM 0 HD12 ILE A 66 122.604 -3.513 1.435 1.00 0.00 H new ATOM 0 HD13 ILE A 66 122.578 -5.053 0.544 1.00 0.00 H new ATOM 854 N PHE A 67 123.876 -0.098 -1.553 1.00 0.00 N ATOM 855 CA PHE A 67 123.426 0.791 -2.625 1.00 0.00 C ATOM 856 C PHE A 67 124.573 1.134 -3.571 1.00 0.00 C ATOM 857 O PHE A 67 124.368 1.334 -4.768 1.00 0.00 O ATOM 858 CB PHE A 67 122.830 2.072 -2.037 1.00 0.00 C ATOM 859 CG PHE A 67 121.332 2.137 -2.136 1.00 0.00 C ATOM 860 CD1 PHE A 67 120.720 2.635 -3.275 1.00 0.00 C ATOM 861 CD2 PHE A 67 120.537 1.699 -1.088 1.00 0.00 C ATOM 862 CE1 PHE A 67 119.343 2.696 -3.367 1.00 0.00 C ATOM 863 CE2 PHE A 67 119.158 1.758 -1.175 1.00 0.00 C ATOM 864 CZ PHE A 67 118.561 2.257 -2.317 1.00 0.00 C ATOM 0 H PHE A 67 123.508 0.135 -0.631 1.00 0.00 H new ATOM 0 HA PHE A 67 122.657 0.269 -3.195 1.00 0.00 H new ATOM 0 HB2 PHE A 67 123.121 2.151 -0.989 1.00 0.00 H new ATOM 0 HB3 PHE A 67 123.258 2.932 -2.552 1.00 0.00 H new ATOM 0 HD1 PHE A 67 121.326 2.979 -4.100 1.00 0.00 H new ATOM 0 HD2 PHE A 67 121.000 1.308 -0.194 1.00 0.00 H new ATOM 0 HE1 PHE A 67 118.878 3.087 -4.260 1.00 0.00 H new ATOM 0 HE2 PHE A 67 118.549 1.415 -0.352 1.00 0.00 H new ATOM 0 HZ PHE A 67 117.484 2.304 -2.388 1.00 0.00 H new ATOM 874 N THR A 68 125.784 1.186 -3.024 1.00 0.00 N ATOM 875 CA THR A 68 126.967 1.488 -3.816 1.00 0.00 C ATOM 876 C THR A 68 127.782 0.224 -4.070 1.00 0.00 C ATOM 877 O THR A 68 128.507 0.131 -5.059 1.00 0.00 O ATOM 878 CB THR A 68 127.829 2.536 -3.110 1.00 0.00 C ATOM 879 OG1 THR A 68 127.030 3.373 -2.293 1.00 0.00 O ATOM 880 CG2 THR A 68 128.595 3.423 -4.066 1.00 0.00 C ATOM 0 H THR A 68 125.970 1.022 -2.034 1.00 0.00 H new ATOM 0 HA THR A 68 126.641 1.889 -4.776 1.00 0.00 H new ATOM 0 HB THR A 68 128.545 1.969 -2.515 1.00 0.00 H new ATOM 0 HG1 THR A 68 127.599 4.036 -1.848 1.00 0.00 H new ATOM 0 HG21 THR A 68 129.186 4.143 -3.500 1.00 0.00 H new ATOM 0 HG22 THR A 68 129.258 2.811 -4.678 1.00 0.00 H new ATOM 0 HG23 THR A 68 127.894 3.954 -4.710 1.00 0.00 H new ATOM 888 N ASP A 69 127.653 -0.751 -3.173 1.00 0.00 N ATOM 889 CA ASP A 69 128.375 -2.010 -3.310 1.00 0.00 C ATOM 890 C ASP A 69 127.799 -2.830 -4.458 1.00 0.00 C ATOM 891 O ASP A 69 128.535 -3.478 -5.201 1.00 0.00 O ATOM 892 CB ASP A 69 128.306 -2.810 -2.007 1.00 0.00 C ATOM 893 CG ASP A 69 129.612 -3.513 -1.692 1.00 0.00 C ATOM 894 OD1 ASP A 69 130.633 -2.817 -1.511 1.00 0.00 O ATOM 895 OD2 ASP A 69 129.613 -4.761 -1.626 1.00 0.00 O ATOM 0 H ASP A 69 127.057 -0.692 -2.347 1.00 0.00 H new ATOM 0 HA ASP A 69 129.419 -1.786 -3.528 1.00 0.00 H new ATOM 0 HB2 ASP A 69 128.049 -2.141 -1.186 1.00 0.00 H new ATOM 0 HB3 ASP A 69 127.507 -3.548 -2.079 1.00 0.00 H new ATOM 900 N GLN A 70 126.479 -2.787 -4.601 1.00 0.00 N ATOM 901 CA GLN A 70 125.805 -3.518 -5.666 1.00 0.00 C ATOM 902 C GLN A 70 126.219 -2.973 -7.028 1.00 0.00 C ATOM 903 O GLN A 70 126.272 -3.708 -8.013 1.00 0.00 O ATOM 904 CB GLN A 70 124.287 -3.419 -5.502 1.00 0.00 C ATOM 905 CG GLN A 70 123.538 -4.631 -6.033 1.00 0.00 C ATOM 906 CD GLN A 70 122.037 -4.418 -6.073 1.00 0.00 C ATOM 907 OE1 GLN A 70 121.540 -3.353 -5.708 1.00 0.00 O ATOM 908 NE2 GLN A 70 121.307 -5.434 -6.518 1.00 0.00 N ATOM 0 H GLN A 70 125.856 -2.255 -3.994 1.00 0.00 H new ATOM 0 HA GLN A 70 126.098 -4.566 -5.603 1.00 0.00 H new ATOM 0 HB2 GLN A 70 124.052 -3.291 -4.445 1.00 0.00 H new ATOM 0 HB3 GLN A 70 123.931 -2.527 -6.018 1.00 0.00 H new ATOM 0 HG2 GLN A 70 123.895 -4.863 -7.036 1.00 0.00 H new ATOM 0 HG3 GLN A 70 123.762 -5.495 -5.407 1.00 0.00 H new ATOM 0 HE21 GLN A 70 121.762 -6.299 -6.810 1.00 0.00 H new ATOM 0 HE22 GLN A 70 120.292 -5.349 -6.567 1.00 0.00 H new ATOM 917 N VAL A 71 126.516 -1.677 -7.072 1.00 0.00 N ATOM 918 CA VAL A 71 126.931 -1.028 -8.306 1.00 0.00 C ATOM 919 C VAL A 71 128.446 -1.100 -8.475 1.00 0.00 C ATOM 920 O VAL A 71 128.951 -1.214 -9.593 1.00 0.00 O ATOM 921 CB VAL A 71 126.482 0.446 -8.328 1.00 0.00 C ATOM 922 CG1 VAL A 71 126.976 1.148 -9.585 1.00 0.00 C ATOM 923 CG2 VAL A 71 124.969 0.543 -8.216 1.00 0.00 C ATOM 0 H VAL A 71 126.476 -1.057 -6.263 1.00 0.00 H new ATOM 0 HA VAL A 71 126.456 -1.557 -9.132 1.00 0.00 H new ATOM 0 HB VAL A 71 126.924 0.949 -7.468 1.00 0.00 H new ATOM 0 HG11 VAL A 71 126.645 2.187 -9.575 1.00 0.00 H new ATOM 0 HG12 VAL A 71 128.065 1.114 -9.617 1.00 0.00 H new ATOM 0 HG13 VAL A 71 126.572 0.647 -10.464 1.00 0.00 H new ATOM 0 HG21 VAL A 71 124.669 1.591 -8.233 1.00 0.00 H new ATOM 0 HG22 VAL A 71 124.508 0.020 -9.054 1.00 0.00 H new ATOM 0 HG23 VAL A 71 124.643 0.088 -7.281 1.00 0.00 H new ATOM 933 N LEU A 72 129.166 -1.030 -7.359 1.00 0.00 N ATOM 934 CA LEU A 72 130.623 -1.089 -7.385 1.00 0.00 C ATOM 935 C LEU A 72 131.103 -2.393 -8.013 1.00 0.00 C ATOM 936 O LEU A 72 132.148 -2.434 -8.661 1.00 0.00 O ATOM 937 CB LEU A 72 131.186 -0.951 -5.967 1.00 0.00 C ATOM 938 CG LEU A 72 131.896 0.374 -5.679 1.00 0.00 C ATOM 939 CD1 LEU A 72 130.885 1.462 -5.352 1.00 0.00 C ATOM 940 CD2 LEU A 72 132.890 0.208 -4.540 1.00 0.00 C ATOM 0 H LEU A 72 128.764 -0.932 -6.427 1.00 0.00 H new ATOM 0 HA LEU A 72 130.985 -0.260 -7.993 1.00 0.00 H new ATOM 0 HB2 LEU A 72 130.370 -1.071 -5.255 1.00 0.00 H new ATOM 0 HB3 LEU A 72 131.886 -1.767 -5.789 1.00 0.00 H new ATOM 0 HG LEU A 72 132.443 0.673 -6.573 1.00 0.00 H new ATOM 0 HD11 LEU A 72 131.409 2.396 -5.150 1.00 0.00 H new ATOM 0 HD12 LEU A 72 130.211 1.599 -6.198 1.00 0.00 H new ATOM 0 HD13 LEU A 72 130.309 1.172 -4.473 1.00 0.00 H new ATOM 0 HD21 LEU A 72 133.386 1.160 -4.348 1.00 0.00 H new ATOM 0 HD22 LEU A 72 132.363 -0.114 -3.642 1.00 0.00 H new ATOM 0 HD23 LEU A 72 133.634 -0.540 -4.813 1.00 0.00 H new ATOM 952 N SER A 73 130.331 -3.456 -7.818 1.00 0.00 N ATOM 953 CA SER A 73 130.676 -4.762 -8.368 1.00 0.00 C ATOM 954 C SER A 73 130.369 -4.817 -9.860 1.00 0.00 C ATOM 955 O SER A 73 130.988 -5.579 -10.604 1.00 0.00 O ATOM 956 CB SER A 73 129.913 -5.868 -7.638 1.00 0.00 C ATOM 957 OG SER A 73 130.269 -5.914 -6.267 1.00 0.00 O ATOM 0 H SER A 73 129.462 -3.439 -7.283 1.00 0.00 H new ATOM 0 HA SER A 73 131.745 -4.917 -8.226 1.00 0.00 H new ATOM 0 HB2 SER A 73 128.841 -5.698 -7.733 1.00 0.00 H new ATOM 0 HB3 SER A 73 130.126 -6.830 -8.105 1.00 0.00 H new ATOM 0 HG SER A 73 129.815 -5.190 -5.787 1.00 0.00 H new ATOM 963 N VAL A 74 129.411 -4.003 -10.293 1.00 0.00 N ATOM 964 CA VAL A 74 129.025 -3.957 -11.698 1.00 0.00 C ATOM 965 C VAL A 74 130.223 -3.608 -12.573 1.00 0.00 C ATOM 966 O VAL A 74 130.317 -4.050 -13.719 1.00 0.00 O ATOM 967 CB VAL A 74 127.898 -2.933 -11.935 1.00 0.00 C ATOM 968 CG1 VAL A 74 127.542 -2.847 -13.412 1.00 0.00 C ATOM 969 CG2 VAL A 74 126.675 -3.297 -11.107 1.00 0.00 C ATOM 0 H VAL A 74 128.888 -3.367 -9.691 1.00 0.00 H new ATOM 0 HA VAL A 74 128.658 -4.947 -11.969 1.00 0.00 H new ATOM 0 HB VAL A 74 128.253 -1.952 -11.619 1.00 0.00 H new ATOM 0 HG11 VAL A 74 126.744 -2.118 -13.552 1.00 0.00 H new ATOM 0 HG12 VAL A 74 128.420 -2.539 -13.980 1.00 0.00 H new ATOM 0 HG13 VAL A 74 127.207 -3.823 -13.763 1.00 0.00 H new ATOM 0 HG21 VAL A 74 125.886 -2.566 -11.283 1.00 0.00 H new ATOM 0 HG22 VAL A 74 126.323 -4.288 -11.394 1.00 0.00 H new ATOM 0 HG23 VAL A 74 126.939 -3.298 -10.049 1.00 0.00 H new ATOM 979 N LEU A 75 131.143 -2.822 -12.022 1.00 0.00 N ATOM 980 CA LEU A 75 132.343 -2.427 -12.750 1.00 0.00 C ATOM 981 C LEU A 75 133.108 -3.659 -13.224 1.00 0.00 C ATOM 982 O LEU A 75 133.866 -3.597 -14.193 1.00 0.00 O ATOM 983 CB LEU A 75 133.241 -1.561 -11.865 1.00 0.00 C ATOM 984 CG LEU A 75 132.853 -0.082 -11.799 1.00 0.00 C ATOM 985 CD1 LEU A 75 133.178 0.495 -10.430 1.00 0.00 C ATOM 986 CD2 LEU A 75 133.560 0.703 -12.892 1.00 0.00 C ATOM 0 H LEU A 75 131.080 -2.447 -11.076 1.00 0.00 H new ATOM 0 HA LEU A 75 132.042 -1.845 -13.621 1.00 0.00 H new ATOM 0 HB2 LEU A 75 133.231 -1.969 -10.854 1.00 0.00 H new ATOM 0 HB3 LEU A 75 134.266 -1.636 -12.229 1.00 0.00 H new ATOM 0 HG LEU A 75 131.778 -0.001 -11.958 1.00 0.00 H new ATOM 0 HD11 LEU A 75 132.895 1.547 -10.402 1.00 0.00 H new ATOM 0 HD12 LEU A 75 132.625 -0.050 -9.665 1.00 0.00 H new ATOM 0 HD13 LEU A 75 134.247 0.402 -10.240 1.00 0.00 H new ATOM 0 HD21 LEU A 75 133.272 1.753 -12.830 1.00 0.00 H new ATOM 0 HD22 LEU A 75 134.639 0.614 -12.764 1.00 0.00 H new ATOM 0 HD23 LEU A 75 133.276 0.306 -13.867 1.00 0.00 H new ATOM 998 N LYS A 76 132.897 -4.779 -12.537 1.00 0.00 N ATOM 999 CA LYS A 76 133.557 -6.029 -12.888 1.00 0.00 C ATOM 1000 C LYS A 76 132.967 -7.188 -12.099 1.00 0.00 C ATOM 1001 O LYS A 76 133.105 -7.260 -10.878 1.00 0.00 O ATOM 1002 CB LYS A 76 135.062 -5.931 -12.637 1.00 0.00 C ATOM 1003 CG LYS A 76 135.896 -6.754 -13.606 1.00 0.00 C ATOM 1004 CD LYS A 76 137.203 -6.058 -13.948 1.00 0.00 C ATOM 1005 CE LYS A 76 138.230 -6.224 -12.839 1.00 0.00 C ATOM 1006 NZ LYS A 76 138.130 -5.141 -11.823 1.00 0.00 N ATOM 0 H LYS A 76 132.273 -4.844 -11.733 1.00 0.00 H new ATOM 0 HA LYS A 76 133.392 -6.213 -13.950 1.00 0.00 H new ATOM 0 HB2 LYS A 76 135.366 -4.886 -12.706 1.00 0.00 H new ATOM 0 HB3 LYS A 76 135.274 -6.259 -11.619 1.00 0.00 H new ATOM 0 HG2 LYS A 76 136.106 -7.730 -13.168 1.00 0.00 H new ATOM 0 HG3 LYS A 76 135.327 -6.930 -14.519 1.00 0.00 H new ATOM 0 HD2 LYS A 76 137.601 -6.465 -14.878 1.00 0.00 H new ATOM 0 HD3 LYS A 76 137.018 -4.997 -14.118 1.00 0.00 H new ATOM 0 HE2 LYS A 76 138.088 -7.190 -12.355 1.00 0.00 H new ATOM 0 HE3 LYS A 76 139.232 -6.227 -13.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 138.972 -5.159 -11.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 138.069 -4.220 -12.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 137.279 -5.286 -11.243 1.00 0.00 H new ATOM 1020 N GLY A 77 132.296 -8.086 -12.808 1.00 0.00 N ATOM 1021 CA GLY A 77 131.674 -9.227 -12.169 1.00 0.00 C ATOM 1022 C GLY A 77 130.162 -9.156 -12.230 1.00 0.00 C ATOM 1023 O GLY A 77 129.472 -10.097 -11.838 1.00 0.00 O ATOM 0 H GLY A 77 132.172 -8.043 -13.819 1.00 0.00 H new ATOM 0 HA2 GLY A 77 132.014 -10.143 -12.652 1.00 0.00 H new ATOM 0 HA3 GLY A 77 131.993 -9.278 -11.128 1.00 0.00 H new ATOM 1027 N GLU A 78 129.644 -8.031 -12.729 1.00 0.00 N ATOM 1028 CA GLU A 78 128.205 -7.828 -12.850 1.00 0.00 C ATOM 1029 C GLU A 78 127.471 -8.273 -11.589 1.00 0.00 C ATOM 1030 O GLU A 78 126.326 -8.718 -11.647 1.00 0.00 O ATOM 1031 CB GLU A 78 127.678 -8.588 -14.063 1.00 0.00 C ATOM 1032 CG GLU A 78 126.213 -8.320 -14.364 1.00 0.00 C ATOM 1033 CD GLU A 78 126.008 -7.617 -15.693 1.00 0.00 C ATOM 1034 OE1 GLU A 78 126.813 -7.852 -16.619 1.00 0.00 O ATOM 1035 OE2 GLU A 78 125.042 -6.834 -15.808 1.00 0.00 O ATOM 0 H GLU A 78 130.206 -7.245 -13.056 1.00 0.00 H new ATOM 0 HA GLU A 78 128.021 -6.762 -12.981 1.00 0.00 H new ATOM 0 HB2 GLU A 78 128.274 -8.320 -14.935 1.00 0.00 H new ATOM 0 HB3 GLU A 78 127.816 -9.657 -13.899 1.00 0.00 H new ATOM 0 HG2 GLU A 78 125.669 -9.264 -14.369 1.00 0.00 H new ATOM 0 HG3 GLU A 78 125.788 -7.711 -13.566 1.00 0.00 H new ATOM 1042 N GLU A 79 128.144 -8.147 -10.450 1.00 0.00 N ATOM 1043 CA GLU A 79 127.561 -8.535 -9.171 1.00 0.00 C ATOM 1044 C GLU A 79 126.902 -7.339 -8.489 1.00 0.00 C ATOM 1045 O GLU A 79 127.077 -6.206 -8.984 1.00 0.00 O ATOM 1046 CB GLU A 79 128.635 -9.130 -8.258 1.00 0.00 C ATOM 1047 CG GLU A 79 128.704 -10.648 -8.312 1.00 0.00 C ATOM 1048 CD GLU A 79 127.373 -11.304 -8.002 1.00 0.00 C ATOM 1049 OE1 GLU A 79 126.910 -11.191 -6.847 1.00 0.00 O ATOM 1050 OE2 GLU A 79 126.793 -11.930 -8.914 1.00 0.00 O ATOM 1051 OXT GLU A 79 126.216 -7.545 -7.467 1.00 0.00 O ATOM 0 H GLU A 79 129.093 -7.779 -10.387 1.00 0.00 H new ATOM 0 HA GLU A 79 126.797 -9.289 -9.361 1.00 0.00 H new ATOM 0 HB2 GLU A 79 129.606 -8.720 -8.537 1.00 0.00 H new ATOM 0 HB3 GLU A 79 128.441 -8.819 -7.231 1.00 0.00 H new ATOM 0 HG2 GLU A 79 129.035 -10.958 -9.303 1.00 0.00 H new ATOM 0 HG3 GLU A 79 129.452 -10.999 -7.601 1.00 0.00 H new TER 1058 GLU A 79