USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 810 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 38 SER OG : rot 180:sc= -0.868 USER MOD Set 1.2: A 93 ASN : amide:sc= -1.61 K(o=-2.5,f=-4.1) USER MOD Set 2.1: A 32 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 33 ASN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 14 TYR OH : rot 91:sc= 0.966 USER MOD Single : A 15 SER OG : rot 180:sc= -0.193 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 46:sc= -0.753 USER MOD Single : A 20 SER OG : rot 160:sc= -0.0338 USER MOD Single : A 30 THR OG1 : rot 85:sc= 0.0892 USER MOD Single : A 39 LYS NZ :NH3+ -100:sc= -0.496 (180deg=-2.05!) USER MOD Single : A 50 LYS NZ :NH3+ 160:sc= 1.23 (180deg=0.97) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -1.47 K(o=-1.5,f=-2.7) USER MOD Single : A 63 GLN : amide:sc= -0.7 K(o=-0.7,f=-3.2!) USER MOD Single : A 64 SER OG : rot 1:sc= -0.656 USER MOD Single : A 65 ASN : amide:sc= -1.72 X(o=-1.7,f=-1.2) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.123 USER MOD Single : A 70 THR OG1 : rot -160:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= -0.349 USER MOD Single : A 78 ASN : amide:sc= -0.0152 K(o=-0.015,f=-1.2) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot -37:sc= 0.0325 USER MOD Single : A 86 GLN : amide:sc= -2.4! C(o=-2.4!,f=-3.2!) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= -0.15 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 144:sc= -0.222 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -0.662 X(o=-0.66,f=-0.71) USER MOD Single : A 103 SER OG : rot 180:sc= 0.0124 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 -10.723 -14.780 2.323 1.00 0.00 N ATOM 67 CA LEU A 8 -10.314 -13.484 1.792 1.00 0.00 C ATOM 68 C LEU A 8 -9.223 -12.861 2.657 1.00 0.00 C ATOM 69 O LEU A 8 -9.131 -13.111 3.859 1.00 0.00 O ATOM 70 CB LEU A 8 -11.516 -12.542 1.711 1.00 0.00 C ATOM 71 CG LEU A 8 -12.661 -12.992 0.802 1.00 0.00 C ATOM 72 CD1 LEU A 8 -13.883 -12.110 1.007 1.00 0.00 C ATOM 73 CD2 LEU A 8 -12.225 -12.972 -0.655 1.00 0.00 C ATOM 0 HA LEU A 8 -9.913 -13.639 0.790 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -11.911 -12.402 2.717 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -11.167 -11.568 1.367 1.00 0.00 H new ATOM 0 HG LEU A 8 -12.928 -14.015 1.066 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -14.687 -12.445 0.352 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -14.209 -12.176 2.045 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -13.630 -11.077 0.771 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -13.052 -13.295 -1.287 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -11.930 -11.960 -0.933 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -11.380 -13.647 -0.791 1.00 0.00 H new ATOM 85 N PRO A 9 -8.377 -12.028 2.034 1.00 0.00 N ATOM 86 CA PRO A 9 -7.279 -11.349 2.728 1.00 0.00 C ATOM 87 C PRO A 9 -7.777 -10.279 3.693 1.00 0.00 C ATOM 88 O PRO A 9 -8.639 -9.472 3.347 1.00 0.00 O ATOM 89 CB PRO A 9 -6.478 -10.712 1.590 1.00 0.00 C ATOM 90 CG PRO A 9 -7.465 -10.534 0.487 1.00 0.00 C ATOM 91 CD PRO A 9 -8.427 -11.684 0.603 1.00 0.00 C ATOM 0 HA PRO A 9 -6.698 -12.037 3.342 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -6.048 -9.758 1.894 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -5.651 -11.351 1.282 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -7.984 -9.580 0.578 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -6.970 -10.536 -0.484 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -9.433 -11.399 0.293 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -8.126 -12.524 -0.023 1.00 0.00 H new ATOM 99 N GLN A 10 -7.227 -10.278 4.904 1.00 0.00 N ATOM 100 CA GLN A 10 -7.617 -9.306 5.918 1.00 0.00 C ATOM 101 C GLN A 10 -6.405 -8.530 6.423 1.00 0.00 C ATOM 102 O GLN A 10 -5.272 -9.005 6.340 1.00 0.00 O ATOM 103 CB GLN A 10 -8.311 -10.007 7.087 1.00 0.00 C ATOM 104 CG GLN A 10 -8.971 -9.049 8.066 1.00 0.00 C ATOM 105 CD GLN A 10 -9.829 -9.763 9.092 1.00 0.00 C ATOM 106 OE1 GLN A 10 -10.620 -10.643 8.753 1.00 0.00 O ATOM 107 NE2 GLN A 10 -9.676 -9.386 10.356 1.00 0.00 N ATOM 0 H GLN A 10 -6.511 -10.939 5.206 1.00 0.00 H new ATOM 0 HA GLN A 10 -8.312 -8.602 5.461 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -9.065 -10.689 6.695 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -7.580 -10.613 7.622 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -8.201 -8.473 8.579 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -9.587 -8.338 7.514 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -9.008 -8.652 10.592 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -10.226 -9.831 11.091 1.00 0.00 H new ATOM 116 N VAL A 11 -6.650 -7.333 6.946 1.00 0.00 N ATOM 117 CA VAL A 11 -5.579 -6.491 7.465 1.00 0.00 C ATOM 118 C VAL A 11 -5.915 -5.969 8.857 1.00 0.00 C ATOM 119 O VAL A 11 -6.700 -5.033 9.006 1.00 0.00 O ATOM 120 CB VAL A 11 -5.302 -5.296 6.533 1.00 0.00 C ATOM 121 CG1 VAL A 11 -4.189 -4.426 7.097 1.00 0.00 C ATOM 122 CG2 VAL A 11 -4.955 -5.781 5.134 1.00 0.00 C ATOM 0 H VAL A 11 -7.582 -6.924 7.022 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.686 -7.114 7.520 1.00 0.00 H new ATOM 0 HB VAL A 11 -6.206 -4.690 6.468 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.007 -3.587 6.425 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -4.483 -4.049 8.077 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -3.278 -5.017 7.194 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.762 -4.924 4.489 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.066 -6.410 5.177 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.788 -6.358 4.732 1.00 0.00 H new ATOM 132 N GLU A 12 -5.316 -6.580 9.874 1.00 0.00 N ATOM 133 CA GLU A 12 -5.553 -6.176 11.255 1.00 0.00 C ATOM 134 C GLU A 12 -4.963 -4.796 11.527 1.00 0.00 C ATOM 135 O GLU A 12 -5.669 -3.879 11.944 1.00 0.00 O ATOM 136 CB GLU A 12 -4.950 -7.200 12.220 1.00 0.00 C ATOM 137 CG GLU A 12 -5.640 -7.240 13.573 1.00 0.00 C ATOM 138 CD GLU A 12 -5.548 -8.602 14.234 1.00 0.00 C ATOM 139 OE1 GLU A 12 -6.391 -9.470 13.923 1.00 0.00 O ATOM 140 OE2 GLU A 12 -4.635 -8.799 15.062 1.00 0.00 O ATOM 0 H GLU A 12 -4.663 -7.356 9.768 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.630 -6.129 11.413 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.002 -8.189 11.766 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.894 -6.971 12.366 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.193 -6.492 14.227 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.689 -6.970 13.450 1.00 0.00 H new ATOM 147 N ALA A 13 -3.663 -4.657 11.287 1.00 0.00 N ATOM 148 CA ALA A 13 -2.977 -3.389 11.505 1.00 0.00 C ATOM 149 C ALA A 13 -1.675 -3.327 10.715 1.00 0.00 C ATOM 150 O ALA A 13 -1.017 -4.345 10.502 1.00 0.00 O ATOM 151 CB ALA A 13 -2.708 -3.182 12.988 1.00 0.00 C ATOM 0 H ALA A 13 -3.064 -5.407 10.942 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.625 -2.588 11.150 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.195 -2.231 13.136 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.653 -3.173 13.531 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.083 -3.993 13.361 1.00 0.00 H new ATOM 157 N TYR A 14 -1.308 -2.126 10.282 1.00 0.00 N ATOM 158 CA TYR A 14 -0.085 -1.931 9.512 1.00 0.00 C ATOM 159 C TYR A 14 0.915 -1.076 10.285 1.00 0.00 C ATOM 160 O TYR A 14 0.573 -0.462 11.295 1.00 0.00 O ATOM 161 CB TYR A 14 -0.402 -1.275 8.167 1.00 0.00 C ATOM 162 CG TYR A 14 -1.367 -0.117 8.272 1.00 0.00 C ATOM 163 CD1 TYR A 14 -0.922 1.156 8.609 1.00 0.00 C ATOM 164 CD2 TYR A 14 -2.725 -0.294 8.034 1.00 0.00 C ATOM 165 CE1 TYR A 14 -1.801 2.218 8.706 1.00 0.00 C ATOM 166 CE2 TYR A 14 -3.610 0.762 8.128 1.00 0.00 C ATOM 167 CZ TYR A 14 -3.144 2.016 8.464 1.00 0.00 C ATOM 168 OH TYR A 14 -4.023 3.070 8.560 1.00 0.00 O ATOM 0 H TYR A 14 -1.840 -1.272 10.451 1.00 0.00 H new ATOM 0 HA TYR A 14 0.362 -2.909 9.334 1.00 0.00 H new ATOM 0 HB2 TYR A 14 0.526 -0.924 7.716 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -0.819 -2.025 7.496 1.00 0.00 H new ATOM 0 HD1 TYR A 14 0.129 1.318 8.798 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -3.094 -1.274 7.771 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.439 3.201 8.970 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -4.662 0.607 7.939 1.00 0.00 H new ATOM 0 HH TYR A 14 -4.107 3.506 7.686 1.00 0.00 H new ATOM 178 N SER A 15 2.153 -1.042 9.801 1.00 0.00 N ATOM 179 CA SER A 15 3.204 -0.265 10.446 1.00 0.00 C ATOM 180 C SER A 15 4.376 -0.040 9.495 1.00 0.00 C ATOM 181 O SER A 15 4.826 -0.950 8.798 1.00 0.00 O ATOM 182 CB SER A 15 3.689 -0.975 11.711 1.00 0.00 C ATOM 183 OG SER A 15 4.248 -0.054 12.631 1.00 0.00 O ATOM 0 H SER A 15 2.452 -1.544 8.965 1.00 0.00 H new ATOM 0 HA SER A 15 2.788 0.705 10.718 1.00 0.00 H new ATOM 0 HB2 SER A 15 2.856 -1.501 12.179 1.00 0.00 H new ATOM 0 HB3 SER A 15 4.433 -1.727 11.447 1.00 0.00 H new ATOM 0 HG SER A 15 4.549 -0.533 13.431 1.00 0.00 H new ATOM 189 N PRO A 16 4.883 1.201 9.464 1.00 0.00 N ATOM 190 CA PRO A 16 4.355 2.292 10.288 1.00 0.00 C ATOM 191 C PRO A 16 2.969 2.741 9.838 1.00 0.00 C ATOM 192 O PRO A 16 2.569 2.502 8.699 1.00 0.00 O ATOM 193 CB PRO A 16 5.374 3.416 10.084 1.00 0.00 C ATOM 194 CG PRO A 16 5.990 3.132 8.757 1.00 0.00 C ATOM 195 CD PRO A 16 6.010 1.635 8.621 1.00 0.00 C ATOM 0 HA PRO A 16 4.232 1.993 11.329 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.893 4.394 10.096 1.00 0.00 H new ATOM 0 HB3 PRO A 16 6.123 3.420 10.876 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.413 3.589 7.953 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.998 3.543 8.699 1.00 0.00 H new ATOM 0 HD2 PRO A 16 5.880 1.324 7.585 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.955 1.213 8.964 1.00 0.00 H new ATOM 203 N SER A 17 2.242 3.394 10.739 1.00 0.00 N ATOM 204 CA SER A 17 0.899 3.874 10.434 1.00 0.00 C ATOM 205 C SER A 17 0.918 4.818 9.236 1.00 0.00 C ATOM 206 O SER A 17 -0.044 4.890 8.473 1.00 0.00 O ATOM 207 CB SER A 17 0.301 4.585 11.650 1.00 0.00 C ATOM 208 OG SER A 17 -0.889 5.272 11.304 1.00 0.00 O ATOM 0 H SER A 17 2.560 3.603 11.685 1.00 0.00 H new ATOM 0 HA SER A 17 0.279 3.013 10.185 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.090 3.857 12.433 1.00 0.00 H new ATOM 0 HB3 SER A 17 1.026 5.290 12.057 1.00 0.00 H new ATOM 0 HG SER A 17 -1.253 5.717 12.098 1.00 0.00 H new ATOM 214 N ALA A 18 2.022 5.542 9.079 1.00 0.00 N ATOM 215 CA ALA A 18 2.169 6.481 7.974 1.00 0.00 C ATOM 216 C ALA A 18 3.585 6.449 7.410 1.00 0.00 C ATOM 217 O ALA A 18 4.455 5.749 7.931 1.00 0.00 O ATOM 218 CB ALA A 18 1.811 7.889 8.426 1.00 0.00 C ATOM 0 H ALA A 18 2.827 5.496 9.703 1.00 0.00 H new ATOM 0 HA ALA A 18 1.484 6.180 7.182 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.925 8.580 7.590 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.778 7.908 8.774 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.473 8.190 9.238 1.00 0.00 H new ATOM 224 N CYS A 19 3.810 7.209 6.344 1.00 0.00 N ATOM 225 CA CYS A 19 5.122 7.265 5.709 1.00 0.00 C ATOM 226 C CYS A 19 5.227 8.474 4.785 1.00 0.00 C ATOM 227 O CYS A 19 4.267 9.228 4.621 1.00 0.00 O ATOM 228 CB CYS A 19 5.386 5.982 4.921 1.00 0.00 C ATOM 229 SG CYS A 19 7.132 5.521 4.823 1.00 0.00 S ATOM 0 H CYS A 19 3.102 7.795 5.901 1.00 0.00 H new ATOM 0 HA CYS A 19 5.873 7.362 6.493 1.00 0.00 H new ATOM 0 HB2 CYS A 19 4.831 5.165 5.382 1.00 0.00 H new ATOM 0 HB3 CYS A 19 4.996 6.102 3.910 1.00 0.00 H new ATOM 0 HG CYS A 19 7.674 5.621 6.000 1.00 0.00 H new ATOM 235 N SER A 20 6.399 8.655 4.186 1.00 0.00 N ATOM 236 CA SER A 20 6.632 9.775 3.282 1.00 0.00 C ATOM 237 C SER A 20 6.335 9.380 1.839 1.00 0.00 C ATOM 238 O SER A 20 6.589 8.248 1.428 1.00 0.00 O ATOM 239 CB SER A 20 8.077 10.264 3.403 1.00 0.00 C ATOM 240 OG SER A 20 8.409 10.546 4.751 1.00 0.00 O ATOM 0 H SER A 20 7.203 8.040 4.310 1.00 0.00 H new ATOM 0 HA SER A 20 5.958 10.584 3.564 1.00 0.00 H new ATOM 0 HB2 SER A 20 8.755 9.506 3.009 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.213 11.160 2.797 1.00 0.00 H new ATOM 0 HG SER A 20 9.383 10.542 4.856 1.00 0.00 H new ATOM 246 N VAL A 21 5.795 10.323 1.073 1.00 0.00 N ATOM 247 CA VAL A 21 5.464 10.076 -0.325 1.00 0.00 C ATOM 248 C VAL A 21 6.571 9.294 -1.022 1.00 0.00 C ATOM 249 O VAL A 21 6.311 8.502 -1.928 1.00 0.00 O ATOM 250 CB VAL A 21 5.223 11.393 -1.086 1.00 0.00 C ATOM 251 CG1 VAL A 21 4.029 12.136 -0.504 1.00 0.00 C ATOM 252 CG2 VAL A 21 6.470 12.263 -1.054 1.00 0.00 C ATOM 0 H VAL A 21 5.578 11.265 1.398 1.00 0.00 H new ATOM 0 HA VAL A 21 4.547 9.487 -0.334 1.00 0.00 H new ATOM 0 HB VAL A 21 5.001 11.155 -2.126 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.874 13.064 -1.055 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.138 11.513 -0.585 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.218 12.364 0.545 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.281 13.189 -1.597 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.726 12.494 -0.020 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.297 11.730 -1.523 1.00 0.00 H new ATOM 262 N ARG A 22 7.808 9.522 -0.594 1.00 0.00 N ATOM 263 CA ARG A 22 8.957 8.839 -1.177 1.00 0.00 C ATOM 264 C ARG A 22 8.989 7.372 -0.757 1.00 0.00 C ATOM 265 O ARG A 22 9.362 6.500 -1.540 1.00 0.00 O ATOM 266 CB ARG A 22 10.256 9.529 -0.756 1.00 0.00 C ATOM 267 CG ARG A 22 10.431 9.630 0.751 1.00 0.00 C ATOM 268 CD ARG A 22 11.634 10.486 1.116 1.00 0.00 C ATOM 269 NE ARG A 22 12.876 9.718 1.104 1.00 0.00 N ATOM 270 CZ ARG A 22 13.123 8.707 1.929 1.00 0.00 C ATOM 271 NH1 ARG A 22 12.217 8.343 2.827 1.00 0.00 N ATOM 272 NH2 ARG A 22 14.277 8.056 1.857 1.00 0.00 N ATOM 0 H ARG A 22 8.041 10.175 0.155 1.00 0.00 H new ATOM 0 HA ARG A 22 8.863 8.887 -2.262 1.00 0.00 H new ATOM 0 HB2 ARG A 22 11.100 8.982 -1.176 1.00 0.00 H new ATOM 0 HB3 ARG A 22 10.281 10.531 -1.184 1.00 0.00 H new ATOM 0 HG2 ARG A 22 9.532 10.056 1.195 1.00 0.00 H new ATOM 0 HG3 ARG A 22 10.552 8.632 1.172 1.00 0.00 H new ATOM 0 HD2 ARG A 22 11.714 11.316 0.414 1.00 0.00 H new ATOM 0 HD3 ARG A 22 11.485 10.918 2.105 1.00 0.00 H new ATOM 0 HE ARG A 22 13.593 9.972 0.425 1.00 0.00 H new ATOM 0 HH11 ARG A 22 11.328 8.840 2.885 1.00 0.00 H new ATOM 0 HH12 ARG A 22 12.409 7.566 3.459 1.00 0.00 H new ATOM 0 HH21 ARG A 22 14.976 8.332 1.167 1.00 0.00 H new ATOM 0 HH22 ARG A 22 14.465 7.280 2.491 1.00 0.00 H new ATOM 286 N GLY A 23 8.594 7.109 0.485 1.00 0.00 N ATOM 287 CA GLY A 23 8.586 5.747 0.987 1.00 0.00 C ATOM 288 C GLY A 23 9.983 5.200 1.202 1.00 0.00 C ATOM 289 O GLY A 23 10.838 5.870 1.779 1.00 0.00 O ATOM 0 H GLY A 23 8.280 7.814 1.152 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.037 5.713 1.928 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.053 5.107 0.284 1.00 0.00 H new ATOM 293 N GLY A 24 10.215 3.976 0.737 1.00 0.00 N ATOM 294 CA GLY A 24 11.519 3.358 0.892 1.00 0.00 C ATOM 295 C GLY A 24 11.779 2.901 2.314 1.00 0.00 C ATOM 296 O GLY A 24 12.901 2.999 2.808 1.00 0.00 O ATOM 0 H GLY A 24 9.523 3.401 0.256 1.00 0.00 H new ATOM 0 HA2 GLY A 24 11.595 2.504 0.219 1.00 0.00 H new ATOM 0 HA3 GLY A 24 12.291 4.067 0.595 1.00 0.00 H new ATOM 300 N GLU A 25 10.738 2.402 2.973 1.00 0.00 N ATOM 301 CA GLU A 25 10.859 1.931 4.347 1.00 0.00 C ATOM 302 C GLU A 25 10.221 0.554 4.509 1.00 0.00 C ATOM 303 O GLU A 25 9.575 0.048 3.592 1.00 0.00 O ATOM 304 CB GLU A 25 10.205 2.924 5.310 1.00 0.00 C ATOM 305 CG GLU A 25 11.092 4.108 5.658 1.00 0.00 C ATOM 306 CD GLU A 25 10.707 4.758 6.973 1.00 0.00 C ATOM 307 OE1 GLU A 25 9.603 5.339 7.046 1.00 0.00 O ATOM 308 OE2 GLU A 25 11.508 4.687 7.928 1.00 0.00 O ATOM 0 H GLU A 25 9.802 2.314 2.577 1.00 0.00 H new ATOM 0 HA GLU A 25 11.920 1.851 4.584 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.280 3.292 4.866 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.933 2.402 6.228 1.00 0.00 H new ATOM 0 HG2 GLU A 25 12.129 3.777 5.710 1.00 0.00 H new ATOM 0 HG3 GLU A 25 11.033 4.848 4.860 1.00 0.00 H new ATOM 315 N GLU A 26 10.409 -0.045 5.680 1.00 0.00 N ATOM 316 CA GLU A 26 9.853 -1.364 5.961 1.00 0.00 C ATOM 317 C GLU A 26 8.406 -1.255 6.432 1.00 0.00 C ATOM 318 O GLU A 26 8.138 -0.858 7.567 1.00 0.00 O ATOM 319 CB GLU A 26 10.693 -2.080 7.021 1.00 0.00 C ATOM 320 CG GLU A 26 10.391 -3.565 7.135 1.00 0.00 C ATOM 321 CD GLU A 26 11.276 -4.264 8.148 1.00 0.00 C ATOM 322 OE1 GLU A 26 11.794 -3.581 9.056 1.00 0.00 O ATOM 323 OE2 GLU A 26 11.450 -5.496 8.033 1.00 0.00 O ATOM 0 H GLU A 26 10.942 0.361 6.449 1.00 0.00 H new ATOM 0 HA GLU A 26 9.874 -1.943 5.038 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.749 -1.950 6.785 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.522 -1.608 7.988 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.347 -3.699 7.417 1.00 0.00 H new ATOM 0 HG3 GLU A 26 10.521 -4.034 6.160 1.00 0.00 H new ATOM 330 N LEU A 27 7.476 -1.610 5.552 1.00 0.00 N ATOM 331 CA LEU A 27 6.055 -1.552 5.876 1.00 0.00 C ATOM 332 C LEU A 27 5.504 -2.946 6.160 1.00 0.00 C ATOM 333 O LEU A 27 5.293 -3.740 5.243 1.00 0.00 O ATOM 334 CB LEU A 27 5.276 -0.908 4.728 1.00 0.00 C ATOM 335 CG LEU A 27 3.784 -0.677 4.975 1.00 0.00 C ATOM 336 CD1 LEU A 27 3.579 0.307 6.117 1.00 0.00 C ATOM 337 CD2 LEU A 27 3.105 -0.177 3.709 1.00 0.00 C ATOM 0 H LEU A 27 7.680 -1.941 4.609 1.00 0.00 H new ATOM 0 HA LEU A 27 5.937 -0.945 6.773 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.738 0.051 4.495 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.384 -1.537 3.844 1.00 0.00 H new ATOM 0 HG LEU A 27 3.330 -1.627 5.255 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.512 0.459 6.279 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.031 -0.091 7.026 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.047 1.259 5.866 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.044 -0.018 3.903 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.562 0.763 3.398 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.222 -0.917 2.917 1.00 0.00 H new ATOM 349 N VAL A 28 5.271 -3.236 7.436 1.00 0.00 N ATOM 350 CA VAL A 28 4.742 -4.533 7.841 1.00 0.00 C ATOM 351 C VAL A 28 3.219 -4.508 7.907 1.00 0.00 C ATOM 352 O VAL A 28 2.628 -3.631 8.537 1.00 0.00 O ATOM 353 CB VAL A 28 5.297 -4.963 9.211 1.00 0.00 C ATOM 354 CG1 VAL A 28 4.691 -6.290 9.641 1.00 0.00 C ATOM 355 CG2 VAL A 28 6.815 -5.051 9.167 1.00 0.00 C ATOM 0 H VAL A 28 5.440 -2.590 8.207 1.00 0.00 H new ATOM 0 HA VAL A 28 5.059 -5.254 7.087 1.00 0.00 H new ATOM 0 HB VAL A 28 5.020 -4.209 9.948 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.096 -6.577 10.612 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.608 -6.189 9.715 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.934 -7.057 8.905 1.00 0.00 H new ATOM 0 HG21 VAL A 28 7.190 -5.356 10.144 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.115 -5.783 8.418 1.00 0.00 H new ATOM 0 HG23 VAL A 28 7.229 -4.076 8.908 1.00 0.00 H new ATOM 365 N LEU A 29 2.588 -5.477 7.253 1.00 0.00 N ATOM 366 CA LEU A 29 1.132 -5.568 7.237 1.00 0.00 C ATOM 367 C LEU A 29 0.651 -6.749 8.074 1.00 0.00 C ATOM 368 O LEU A 29 0.942 -7.904 7.763 1.00 0.00 O ATOM 369 CB LEU A 29 0.625 -5.706 5.801 1.00 0.00 C ATOM 370 CG LEU A 29 0.850 -4.498 4.891 1.00 0.00 C ATOM 371 CD1 LEU A 29 0.553 -4.857 3.443 1.00 0.00 C ATOM 372 CD2 LEU A 29 -0.011 -3.325 5.338 1.00 0.00 C ATOM 0 H LEU A 29 3.062 -6.211 6.727 1.00 0.00 H new ATOM 0 HA LEU A 29 0.731 -4.652 7.670 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.108 -6.572 5.348 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.444 -5.918 5.833 1.00 0.00 H new ATOM 0 HG LEU A 29 1.897 -4.203 4.964 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.719 -3.985 2.811 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.212 -5.665 3.126 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.485 -5.178 3.353 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.162 -2.474 4.679 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.063 -3.609 5.296 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.250 -3.051 6.360 1.00 0.00 H new ATOM 384 N THR A 30 -0.090 -6.452 9.137 1.00 0.00 N ATOM 385 CA THR A 30 -0.612 -7.489 10.018 1.00 0.00 C ATOM 386 C THR A 30 -1.988 -7.958 9.559 1.00 0.00 C ATOM 387 O THR A 30 -2.809 -7.160 9.110 1.00 0.00 O ATOM 388 CB THR A 30 -0.712 -6.992 11.473 1.00 0.00 C ATOM 389 OG1 THR A 30 0.535 -6.418 11.881 1.00 0.00 O ATOM 390 CG2 THR A 30 -1.081 -8.132 12.410 1.00 0.00 C ATOM 0 H THR A 30 -0.342 -5.502 9.408 1.00 0.00 H new ATOM 0 HA THR A 30 0.088 -8.323 9.974 1.00 0.00 H new ATOM 0 HB THR A 30 -1.494 -6.234 11.522 1.00 0.00 H new ATOM 0 HG1 THR A 30 0.570 -5.479 11.602 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.146 -7.757 13.431 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.044 -8.549 12.115 1.00 0.00 H new ATOM 0 HG23 THR A 30 -0.318 -8.909 12.356 1.00 0.00 H new ATOM 398 N GLY A 31 -2.233 -9.260 9.675 1.00 0.00 N ATOM 399 CA GLY A 31 -3.511 -9.814 9.267 1.00 0.00 C ATOM 400 C GLY A 31 -3.507 -11.329 9.247 1.00 0.00 C ATOM 401 O GLY A 31 -2.730 -11.964 9.962 1.00 0.00 O ATOM 0 H GLY A 31 -1.569 -9.941 10.044 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -4.288 -9.465 9.947 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.765 -9.441 8.275 1.00 0.00 H new ATOM 405 N SER A 32 -4.376 -11.911 8.428 1.00 0.00 N ATOM 406 CA SER A 32 -4.474 -13.363 8.322 1.00 0.00 C ATOM 407 C SER A 32 -4.925 -13.776 6.925 1.00 0.00 C ATOM 408 O SER A 32 -5.324 -12.939 6.116 1.00 0.00 O ATOM 409 CB SER A 32 -5.449 -13.907 9.367 1.00 0.00 C ATOM 410 OG SER A 32 -5.203 -15.278 9.629 1.00 0.00 O ATOM 0 H SER A 32 -5.023 -11.400 7.828 1.00 0.00 H new ATOM 0 HA SER A 32 -3.485 -13.784 8.505 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.355 -13.335 10.290 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.473 -13.779 9.015 1.00 0.00 H new ATOM 0 HG SER A 32 -5.838 -15.602 10.301 1.00 0.00 H new ATOM 416 N ASN A 33 -4.858 -15.075 6.648 1.00 0.00 N ATOM 417 CA ASN A 33 -5.259 -15.601 5.348 1.00 0.00 C ATOM 418 C ASN A 33 -4.559 -14.851 4.219 1.00 0.00 C ATOM 419 O ASN A 33 -5.202 -14.383 3.278 1.00 0.00 O ATOM 420 CB ASN A 33 -6.777 -15.499 5.180 1.00 0.00 C ATOM 421 CG ASN A 33 -7.515 -16.605 5.909 1.00 0.00 C ATOM 422 OD1 ASN A 33 -7.113 -17.023 6.996 1.00 0.00 O ATOM 423 ND2 ASN A 33 -8.600 -17.085 5.314 1.00 0.00 N ATOM 0 H ASN A 33 -4.530 -15.782 7.306 1.00 0.00 H new ATOM 0 HA ASN A 33 -4.965 -16.649 5.301 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -7.117 -14.533 5.552 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -7.026 -15.538 4.119 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -9.137 -17.830 5.757 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -8.896 -16.709 4.413 1.00 0.00 H new ATOM 430 N PHE A 34 -3.239 -14.742 4.318 1.00 0.00 N ATOM 431 CA PHE A 34 -2.451 -14.049 3.305 1.00 0.00 C ATOM 432 C PHE A 34 -1.860 -15.038 2.305 1.00 0.00 C ATOM 433 O PHE A 34 -1.898 -16.251 2.517 1.00 0.00 O ATOM 434 CB PHE A 34 -1.330 -13.242 3.964 1.00 0.00 C ATOM 435 CG PHE A 34 -1.796 -11.943 4.557 1.00 0.00 C ATOM 436 CD1 PHE A 34 -2.626 -11.097 3.841 1.00 0.00 C ATOM 437 CD2 PHE A 34 -1.403 -11.568 5.832 1.00 0.00 C ATOM 438 CE1 PHE A 34 -3.057 -9.901 4.384 1.00 0.00 C ATOM 439 CE2 PHE A 34 -1.830 -10.374 6.381 1.00 0.00 C ATOM 440 CZ PHE A 34 -2.658 -9.539 5.655 1.00 0.00 C ATOM 0 H PHE A 34 -2.692 -15.124 5.089 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.113 -13.369 2.769 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -0.870 -13.845 4.747 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -0.557 -13.038 3.224 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.941 -11.375 2.846 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -0.755 -12.217 6.403 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -3.705 -9.251 3.815 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -1.517 -10.094 7.376 1.00 0.00 H new ATOM 0 HZ PHE A 34 -2.992 -8.605 6.081 1.00 0.00 H new ATOM 450 N LEU A 35 -1.316 -14.512 1.213 1.00 0.00 N ATOM 451 CA LEU A 35 -0.717 -15.348 0.178 1.00 0.00 C ATOM 452 C LEU A 35 0.779 -15.075 0.055 1.00 0.00 C ATOM 453 O LEU A 35 1.261 -13.982 0.351 1.00 0.00 O ATOM 454 CB LEU A 35 -1.404 -15.101 -1.166 1.00 0.00 C ATOM 455 CG LEU A 35 -2.671 -15.915 -1.432 1.00 0.00 C ATOM 456 CD1 LEU A 35 -3.623 -15.143 -2.332 1.00 0.00 C ATOM 457 CD2 LEU A 35 -2.319 -17.259 -2.053 1.00 0.00 C ATOM 0 H LEU A 35 -1.277 -13.511 1.021 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.855 -16.391 0.463 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.655 -14.043 -1.234 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.688 -15.310 -1.961 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.171 -16.096 -0.480 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.519 -15.738 -2.510 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.900 -14.206 -1.850 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.134 -14.931 -3.283 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.232 -17.826 -2.236 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.797 -17.098 -2.996 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.676 -17.817 -1.372 1.00 0.00 H new ATOM 469 N PRO A 36 1.531 -16.090 -0.393 1.00 0.00 N ATOM 470 CA PRO A 36 2.983 -15.983 -0.569 1.00 0.00 C ATOM 471 C PRO A 36 3.361 -15.063 -1.725 1.00 0.00 C ATOM 472 O PRO A 36 4.459 -14.508 -1.754 1.00 0.00 O ATOM 473 CB PRO A 36 3.411 -17.422 -0.868 1.00 0.00 C ATOM 474 CG PRO A 36 2.198 -18.066 -1.446 1.00 0.00 C ATOM 475 CD PRO A 36 1.023 -17.422 -0.765 1.00 0.00 C ATOM 0 HA PRO A 36 3.469 -15.553 0.307 1.00 0.00 H new ATOM 0 HB2 PRO A 36 4.246 -17.449 -1.569 1.00 0.00 H new ATOM 0 HB3 PRO A 36 3.738 -17.934 0.037 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.154 -17.917 -2.525 1.00 0.00 H new ATOM 0 HG3 PRO A 36 2.208 -19.142 -1.273 1.00 0.00 H new ATOM 0 HD2 PRO A 36 0.162 -17.352 -1.430 1.00 0.00 H new ATOM 0 HD3 PRO A 36 0.705 -17.989 0.110 1.00 0.00 H new ATOM 483 N ASP A 37 2.445 -14.907 -2.674 1.00 0.00 N ATOM 484 CA ASP A 37 2.682 -14.053 -3.832 1.00 0.00 C ATOM 485 C ASP A 37 1.640 -12.941 -3.909 1.00 0.00 C ATOM 486 O ASP A 37 1.244 -12.522 -4.996 1.00 0.00 O ATOM 487 CB ASP A 37 2.657 -14.881 -5.117 1.00 0.00 C ATOM 488 CG ASP A 37 3.343 -16.224 -4.954 1.00 0.00 C ATOM 489 OD1 ASP A 37 4.582 -16.277 -5.094 1.00 0.00 O ATOM 490 OD2 ASP A 37 2.640 -17.221 -4.687 1.00 0.00 O ATOM 0 H ASP A 37 1.531 -15.361 -2.664 1.00 0.00 H new ATOM 0 HA ASP A 37 3.666 -13.598 -3.721 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.623 -15.039 -5.424 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.144 -14.322 -5.916 1.00 0.00 H new ATOM 495 N SER A 38 1.200 -12.467 -2.747 1.00 0.00 N ATOM 496 CA SER A 38 0.201 -11.407 -2.683 1.00 0.00 C ATOM 497 C SER A 38 0.701 -10.146 -3.381 1.00 0.00 C ATOM 498 O SER A 38 1.907 -9.920 -3.492 1.00 0.00 O ATOM 499 CB SER A 38 -0.148 -11.093 -1.227 1.00 0.00 C ATOM 500 OG SER A 38 -1.239 -11.881 -0.783 1.00 0.00 O ATOM 0 H SER A 38 1.520 -12.801 -1.838 1.00 0.00 H new ATOM 0 HA SER A 38 -0.695 -11.755 -3.197 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.720 -11.278 -0.594 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.395 -10.036 -1.129 1.00 0.00 H new ATOM 0 HG SER A 38 -1.442 -11.663 0.151 1.00 0.00 H new ATOM 506 N LYS A 39 -0.233 -9.326 -3.849 1.00 0.00 N ATOM 507 CA LYS A 39 0.110 -8.086 -4.536 1.00 0.00 C ATOM 508 C LYS A 39 -0.402 -6.876 -3.761 1.00 0.00 C ATOM 509 O LYS A 39 -1.403 -6.960 -3.049 1.00 0.00 O ATOM 510 CB LYS A 39 -0.474 -8.084 -5.950 1.00 0.00 C ATOM 511 CG LYS A 39 0.104 -7.001 -6.845 1.00 0.00 C ATOM 512 CD LYS A 39 -0.257 -7.231 -8.303 1.00 0.00 C ATOM 513 CE LYS A 39 0.644 -8.276 -8.943 1.00 0.00 C ATOM 514 NZ LYS A 39 0.091 -9.650 -8.798 1.00 0.00 N ATOM 0 H LYS A 39 -1.235 -9.498 -3.765 1.00 0.00 H new ATOM 0 HA LYS A 39 1.196 -8.023 -4.599 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.296 -9.056 -6.409 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.554 -7.954 -5.888 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.268 -6.027 -6.526 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.188 -6.979 -6.737 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.296 -7.552 -8.375 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -0.174 -6.293 -8.852 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.772 -8.046 -10.001 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.632 -8.232 -8.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.570 -10.136 -8.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.929 -9.595 -8.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.245 -10.181 -9.679 1.00 0.00 H new ATOM 528 N VAL A 40 0.290 -5.750 -3.906 1.00 0.00 N ATOM 529 CA VAL A 40 -0.097 -4.522 -3.222 1.00 0.00 C ATOM 530 C VAL A 40 0.034 -3.315 -4.144 1.00 0.00 C ATOM 531 O VAL A 40 1.120 -3.012 -4.638 1.00 0.00 O ATOM 532 CB VAL A 40 0.759 -4.288 -1.963 1.00 0.00 C ATOM 533 CG1 VAL A 40 0.356 -2.991 -1.277 1.00 0.00 C ATOM 534 CG2 VAL A 40 0.636 -5.466 -1.009 1.00 0.00 C ATOM 0 H VAL A 40 1.121 -5.663 -4.491 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.140 -4.639 -2.927 1.00 0.00 H new ATOM 0 HB VAL A 40 1.803 -4.202 -2.265 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.971 -2.842 -0.390 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.501 -2.156 -1.963 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.693 -3.044 -0.986 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.247 -5.284 -0.125 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.406 -5.586 -0.711 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.978 -6.374 -1.506 1.00 0.00 H new ATOM 544 N VAL A 41 -1.081 -2.628 -4.372 1.00 0.00 N ATOM 545 CA VAL A 41 -1.091 -1.452 -5.234 1.00 0.00 C ATOM 546 C VAL A 41 -1.760 -0.270 -4.542 1.00 0.00 C ATOM 547 O VAL A 41 -2.647 -0.446 -3.706 1.00 0.00 O ATOM 548 CB VAL A 41 -1.819 -1.735 -6.561 1.00 0.00 C ATOM 549 CG1 VAL A 41 -1.305 -3.022 -7.188 1.00 0.00 C ATOM 550 CG2 VAL A 41 -3.322 -1.804 -6.340 1.00 0.00 C ATOM 0 H VAL A 41 -1.989 -2.866 -3.972 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.051 -1.205 -5.445 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.613 -0.916 -7.250 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.831 -3.206 -8.125 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.237 -2.930 -7.384 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.479 -3.854 -6.505 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.820 -2.005 -7.288 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.550 -2.603 -5.634 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.675 -0.854 -5.939 1.00 0.00 H new ATOM 560 N PHE A 42 -1.331 0.937 -4.897 1.00 0.00 N ATOM 561 CA PHE A 42 -1.888 2.150 -4.310 1.00 0.00 C ATOM 562 C PHE A 42 -2.832 2.844 -5.288 1.00 0.00 C ATOM 563 O PHE A 42 -2.813 2.566 -6.488 1.00 0.00 O ATOM 564 CB PHE A 42 -0.766 3.106 -3.901 1.00 0.00 C ATOM 565 CG PHE A 42 0.003 2.648 -2.696 1.00 0.00 C ATOM 566 CD1 PHE A 42 0.737 1.473 -2.732 1.00 0.00 C ATOM 567 CD2 PHE A 42 -0.007 3.391 -1.527 1.00 0.00 C ATOM 568 CE1 PHE A 42 1.445 1.048 -1.623 1.00 0.00 C ATOM 569 CE2 PHE A 42 0.700 2.972 -0.415 1.00 0.00 C ATOM 570 CZ PHE A 42 1.427 1.799 -0.464 1.00 0.00 C ATOM 0 H PHE A 42 -0.599 1.101 -5.588 1.00 0.00 H new ATOM 0 HA PHE A 42 -2.456 1.867 -3.424 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -0.078 3.224 -4.738 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -1.193 4.088 -3.698 1.00 0.00 H new ATOM 0 HD1 PHE A 42 0.756 0.883 -3.636 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -0.574 4.309 -1.484 1.00 0.00 H new ATOM 0 HE1 PHE A 42 2.012 0.129 -1.663 1.00 0.00 H new ATOM 0 HE2 PHE A 42 0.684 3.561 0.490 1.00 0.00 H new ATOM 0 HZ PHE A 42 1.981 1.469 0.403 1.00 0.00 H new ATOM 580 N ILE A 43 -3.656 3.746 -4.767 1.00 0.00 N ATOM 581 CA ILE A 43 -4.607 4.479 -5.594 1.00 0.00 C ATOM 582 C ILE A 43 -4.581 5.969 -5.270 1.00 0.00 C ATOM 583 O ILE A 43 -4.180 6.370 -4.178 1.00 0.00 O ATOM 584 CB ILE A 43 -6.041 3.949 -5.408 1.00 0.00 C ATOM 585 CG1 ILE A 43 -6.430 3.978 -3.928 1.00 0.00 C ATOM 586 CG2 ILE A 43 -6.161 2.539 -5.966 1.00 0.00 C ATOM 587 CD1 ILE A 43 -7.909 3.769 -3.689 1.00 0.00 C ATOM 0 H ILE A 43 -3.685 3.987 -3.776 1.00 0.00 H new ATOM 0 HA ILE A 43 -4.306 4.329 -6.631 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.726 4.595 -5.957 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.872 3.206 -3.399 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -6.133 4.936 -3.501 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -7.180 2.178 -5.827 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -5.921 2.547 -7.029 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -5.468 1.880 -5.442 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -8.113 3.802 -2.619 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -8.473 4.556 -4.190 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -8.208 2.799 -4.086 1.00 0.00 H new ATOM 599 N GLU A 44 -5.015 6.784 -6.227 1.00 0.00 N ATOM 600 CA GLU A 44 -5.042 8.231 -6.042 1.00 0.00 C ATOM 601 C GLU A 44 -6.288 8.837 -6.682 1.00 0.00 C ATOM 602 O GLU A 44 -6.537 8.657 -7.874 1.00 0.00 O ATOM 603 CB GLU A 44 -3.787 8.868 -6.641 1.00 0.00 C ATOM 604 CG GLU A 44 -3.803 10.387 -6.616 1.00 0.00 C ATOM 605 CD GLU A 44 -2.754 10.997 -7.525 1.00 0.00 C ATOM 606 OE1 GLU A 44 -1.581 10.574 -7.443 1.00 0.00 O ATOM 607 OE2 GLU A 44 -3.104 11.897 -8.317 1.00 0.00 O ATOM 0 H GLU A 44 -5.352 6.468 -7.136 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.068 8.434 -4.971 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.914 8.513 -6.094 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.676 8.531 -7.672 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.789 10.741 -6.917 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -3.638 10.731 -5.595 1.00 0.00 H new ATOM 614 N ARG A 45 -7.067 9.556 -5.880 1.00 0.00 N ATOM 615 CA ARG A 45 -8.288 10.187 -6.366 1.00 0.00 C ATOM 616 C ARG A 45 -7.996 11.579 -6.921 1.00 0.00 C ATOM 617 O ARG A 45 -7.311 12.380 -6.287 1.00 0.00 O ATOM 618 CB ARG A 45 -9.321 10.281 -5.242 1.00 0.00 C ATOM 619 CG ARG A 45 -9.939 8.943 -4.870 1.00 0.00 C ATOM 620 CD ARG A 45 -11.025 9.105 -3.818 1.00 0.00 C ATOM 621 NE ARG A 45 -10.474 9.452 -2.511 1.00 0.00 N ATOM 622 CZ ARG A 45 -10.194 10.697 -2.139 1.00 0.00 C ATOM 623 NH1 ARG A 45 -10.413 11.706 -2.970 1.00 0.00 N ATOM 624 NH2 ARG A 45 -9.694 10.933 -0.932 1.00 0.00 N ATOM 0 H ARG A 45 -6.874 9.716 -4.891 1.00 0.00 H new ATOM 0 HA ARG A 45 -8.691 9.571 -7.170 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -8.847 10.711 -4.359 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -10.113 10.966 -5.544 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -10.360 8.475 -5.760 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -9.164 8.275 -4.495 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -11.723 9.880 -4.134 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -11.593 8.178 -3.737 1.00 0.00 H new ATOM 0 HE ARG A 45 -10.294 8.698 -1.848 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -10.797 11.528 -3.898 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -10.197 12.660 -2.682 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -9.525 10.159 -0.290 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -9.479 11.888 -0.647 1.00 0.00 H new ATOM 638 N GLY A 46 -8.522 11.858 -8.110 1.00 0.00 N ATOM 639 CA GLY A 46 -8.307 13.152 -8.731 1.00 0.00 C ATOM 640 C GLY A 46 -9.537 14.036 -8.671 1.00 0.00 C ATOM 641 O GLY A 46 -10.633 13.589 -8.332 1.00 0.00 O ATOM 0 H GLY A 46 -9.093 11.211 -8.654 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -7.477 13.656 -8.236 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -8.017 13.008 -9.772 1.00 0.00 H new ATOM 645 N PRO A 47 -9.362 15.323 -9.004 1.00 0.00 N ATOM 646 CA PRO A 47 -10.456 16.299 -8.993 1.00 0.00 C ATOM 647 C PRO A 47 -11.469 16.047 -10.105 1.00 0.00 C ATOM 648 O PRO A 47 -12.496 16.721 -10.187 1.00 0.00 O ATOM 649 CB PRO A 47 -9.742 17.635 -9.213 1.00 0.00 C ATOM 650 CG PRO A 47 -8.486 17.279 -9.933 1.00 0.00 C ATOM 651 CD PRO A 47 -8.083 15.925 -9.418 1.00 0.00 C ATOM 0 HA PRO A 47 -11.032 16.255 -8.069 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -10.355 18.319 -9.800 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -9.529 18.131 -8.266 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -8.648 17.254 -11.011 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -7.706 18.016 -9.744 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -7.591 15.332 -10.189 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -7.387 16.004 -8.583 1.00 0.00 H new ATOM 659 N ASP A 48 -11.173 15.073 -10.958 1.00 0.00 N ATOM 660 CA ASP A 48 -12.059 14.731 -12.065 1.00 0.00 C ATOM 661 C ASP A 48 -13.268 13.943 -11.570 1.00 0.00 C ATOM 662 O ASP A 48 -14.403 14.221 -11.955 1.00 0.00 O ATOM 663 CB ASP A 48 -11.304 13.920 -13.119 1.00 0.00 C ATOM 664 CG ASP A 48 -12.236 13.179 -14.057 1.00 0.00 C ATOM 665 OD1 ASP A 48 -12.863 13.837 -14.914 1.00 0.00 O ATOM 666 OD2 ASP A 48 -12.338 11.940 -13.935 1.00 0.00 O ATOM 0 H ASP A 48 -10.327 14.506 -10.904 1.00 0.00 H new ATOM 0 HA ASP A 48 -12.412 15.659 -12.515 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -10.666 14.587 -13.698 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -10.649 13.204 -12.622 1.00 0.00 H new ATOM 671 N GLY A 49 -13.016 12.958 -10.713 1.00 0.00 N ATOM 672 CA GLY A 49 -14.093 12.144 -10.180 1.00 0.00 C ATOM 673 C GLY A 49 -13.692 10.693 -10.005 1.00 0.00 C ATOM 674 O GLY A 49 -14.170 10.014 -9.097 1.00 0.00 O ATOM 0 H GLY A 49 -12.085 12.709 -10.378 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -14.408 12.549 -9.218 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -14.953 12.202 -10.848 1.00 0.00 H new ATOM 678 N LYS A 50 -12.811 10.215 -10.878 1.00 0.00 N ATOM 679 CA LYS A 50 -12.345 8.835 -10.818 1.00 0.00 C ATOM 680 C LYS A 50 -10.869 8.775 -10.439 1.00 0.00 C ATOM 681 O LYS A 50 -10.110 9.707 -10.711 1.00 0.00 O ATOM 682 CB LYS A 50 -12.566 8.141 -12.164 1.00 0.00 C ATOM 683 CG LYS A 50 -11.885 8.840 -13.327 1.00 0.00 C ATOM 684 CD LYS A 50 -12.553 8.502 -14.649 1.00 0.00 C ATOM 685 CE LYS A 50 -11.702 8.938 -15.832 1.00 0.00 C ATOM 686 NZ LYS A 50 -11.876 10.385 -16.137 1.00 0.00 N ATOM 0 H LYS A 50 -12.405 10.764 -11.636 1.00 0.00 H new ATOM 0 HA LYS A 50 -12.920 8.317 -10.051 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -12.198 7.117 -12.100 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -13.636 8.083 -12.362 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -11.911 9.918 -13.170 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -10.835 8.549 -13.364 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -12.731 7.428 -14.704 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -13.527 8.989 -14.701 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -10.652 8.736 -15.619 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -11.969 8.347 -16.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -11.066 10.722 -16.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -12.752 10.522 -16.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -11.931 10.923 -15.249 1.00 0.00 H new ATOM 700 N LEU A 51 -10.467 7.675 -9.813 1.00 0.00 N ATOM 701 CA LEU A 51 -9.081 7.493 -9.399 1.00 0.00 C ATOM 702 C LEU A 51 -8.329 6.606 -10.386 1.00 0.00 C ATOM 703 O LEU A 51 -8.866 5.611 -10.873 1.00 0.00 O ATOM 704 CB LEU A 51 -9.022 6.880 -7.998 1.00 0.00 C ATOM 705 CG LEU A 51 -9.950 5.692 -7.746 1.00 0.00 C ATOM 706 CD1 LEU A 51 -9.556 4.512 -8.621 1.00 0.00 C ATOM 707 CD2 LEU A 51 -9.927 5.300 -6.276 1.00 0.00 C ATOM 0 H LEU A 51 -11.082 6.895 -9.581 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.602 8.472 -9.381 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -7.997 6.562 -7.805 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.256 7.659 -7.272 1.00 0.00 H new ATOM 0 HG LEU A 51 -10.966 5.987 -8.007 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -10.228 3.676 -8.428 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.625 4.798 -9.670 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -8.532 4.215 -8.393 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -10.593 4.453 -6.115 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.912 5.023 -5.989 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -10.259 6.143 -5.669 1.00 0.00 H new ATOM 719 N GLN A 52 -7.085 6.972 -10.675 1.00 0.00 N ATOM 720 CA GLN A 52 -6.260 6.208 -11.603 1.00 0.00 C ATOM 721 C GLN A 52 -4.779 6.374 -11.278 1.00 0.00 C ATOM 722 O GLN A 52 -4.186 7.416 -11.555 1.00 0.00 O ATOM 723 CB GLN A 52 -6.531 6.649 -13.042 1.00 0.00 C ATOM 724 CG GLN A 52 -6.267 8.126 -13.285 1.00 0.00 C ATOM 725 CD GLN A 52 -7.031 8.667 -14.478 1.00 0.00 C ATOM 726 OE1 GLN A 52 -8.105 9.250 -14.330 1.00 0.00 O ATOM 727 NE2 GLN A 52 -6.479 8.475 -15.671 1.00 0.00 N ATOM 0 H GLN A 52 -6.626 7.793 -10.280 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.521 5.155 -11.499 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -5.909 6.061 -13.717 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.569 6.428 -13.292 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -6.543 8.692 -12.395 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -5.199 8.279 -13.442 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -5.587 7.986 -15.748 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -6.947 8.816 -16.510 1.00 0.00 H new ATOM 736 N TRP A 53 -4.188 5.340 -10.690 1.00 0.00 N ATOM 737 CA TRP A 53 -2.775 5.372 -10.327 1.00 0.00 C ATOM 738 C TRP A 53 -2.182 3.967 -10.324 1.00 0.00 C ATOM 739 O TRP A 53 -2.531 3.140 -9.482 1.00 0.00 O ATOM 740 CB TRP A 53 -2.595 6.019 -8.953 1.00 0.00 C ATOM 741 CG TRP A 53 -1.163 6.298 -8.611 1.00 0.00 C ATOM 742 CD1 TRP A 53 -0.146 6.551 -9.486 1.00 0.00 C ATOM 743 CD2 TRP A 53 -0.589 6.349 -7.300 1.00 0.00 C ATOM 744 NE1 TRP A 53 1.026 6.757 -8.798 1.00 0.00 N ATOM 745 CE2 TRP A 53 0.780 6.639 -7.456 1.00 0.00 C ATOM 746 CE3 TRP A 53 -1.099 6.180 -6.010 1.00 0.00 C ATOM 747 CZ2 TRP A 53 1.643 6.762 -6.370 1.00 0.00 C ATOM 748 CZ3 TRP A 53 -0.242 6.302 -4.933 1.00 0.00 C ATOM 749 CH2 TRP A 53 1.117 6.592 -5.118 1.00 0.00 C ATOM 0 H TRP A 53 -4.665 4.469 -10.454 1.00 0.00 H new ATOM 0 HA TRP A 53 -2.247 5.967 -11.072 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -3.157 6.953 -8.923 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -3.022 5.365 -8.193 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -0.247 6.584 -10.561 1.00 0.00 H new ATOM 0 HE1 TRP A 53 1.932 6.964 -9.219 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -2.145 5.958 -5.857 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 2.691 6.984 -6.511 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -0.626 6.172 -3.932 1.00 0.00 H new ATOM 0 HH2 TRP A 53 1.761 6.683 -4.256 1.00 0.00 H new ATOM 760 N GLU A 54 -1.285 3.706 -11.269 1.00 0.00 N ATOM 761 CA GLU A 54 -0.645 2.400 -11.373 1.00 0.00 C ATOM 762 C GLU A 54 0.774 2.443 -10.812 1.00 0.00 C ATOM 763 O GLU A 54 1.682 2.992 -11.436 1.00 0.00 O ATOM 764 CB GLU A 54 -0.615 1.936 -12.831 1.00 0.00 C ATOM 765 CG GLU A 54 0.124 0.625 -13.038 1.00 0.00 C ATOM 766 CD GLU A 54 -0.164 0.000 -14.389 1.00 0.00 C ATOM 767 OE1 GLU A 54 -0.201 0.745 -15.391 1.00 0.00 O ATOM 768 OE2 GLU A 54 -0.352 -1.233 -14.445 1.00 0.00 O ATOM 0 H GLU A 54 -0.985 4.381 -11.973 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.228 1.691 -10.786 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.638 1.827 -13.190 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -0.145 2.708 -13.440 1.00 0.00 H new ATOM 0 HG2 GLU A 54 1.196 0.798 -12.943 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.157 -0.075 -12.251 1.00 0.00 H new ATOM 775 N GLU A 55 0.955 1.861 -9.631 1.00 0.00 N ATOM 776 CA GLU A 55 2.263 1.834 -8.986 1.00 0.00 C ATOM 777 C GLU A 55 2.454 0.542 -8.197 1.00 0.00 C ATOM 778 O GLU A 55 1.719 0.267 -7.250 1.00 0.00 O ATOM 779 CB GLU A 55 2.423 3.040 -8.058 1.00 0.00 C ATOM 780 CG GLU A 55 2.837 4.312 -8.778 1.00 0.00 C ATOM 781 CD GLU A 55 4.314 4.335 -9.119 1.00 0.00 C ATOM 782 OE1 GLU A 55 4.725 3.580 -10.025 1.00 0.00 O ATOM 783 OE2 GLU A 55 5.059 5.107 -8.480 1.00 0.00 O ATOM 0 H GLU A 55 0.214 1.402 -9.102 1.00 0.00 H new ATOM 0 HA GLU A 55 3.025 1.880 -9.764 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.480 3.216 -7.540 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.167 2.805 -7.296 1.00 0.00 H new ATOM 0 HG2 GLU A 55 2.255 4.412 -9.694 1.00 0.00 H new ATOM 0 HG3 GLU A 55 2.599 5.173 -8.153 1.00 0.00 H new ATOM 790 N GLU A 56 3.447 -0.247 -8.597 1.00 0.00 N ATOM 791 CA GLU A 56 3.734 -1.511 -7.928 1.00 0.00 C ATOM 792 C GLU A 56 4.791 -1.324 -6.843 1.00 0.00 C ATOM 793 O GLU A 56 5.771 -0.605 -7.034 1.00 0.00 O ATOM 794 CB GLU A 56 4.207 -2.554 -8.942 1.00 0.00 C ATOM 795 CG GLU A 56 4.581 -3.886 -8.316 1.00 0.00 C ATOM 796 CD GLU A 56 3.368 -4.718 -7.945 1.00 0.00 C ATOM 797 OE1 GLU A 56 2.434 -4.804 -8.769 1.00 0.00 O ATOM 798 OE2 GLU A 56 3.353 -5.282 -6.831 1.00 0.00 O ATOM 0 H GLU A 56 4.065 -0.034 -9.380 1.00 0.00 H new ATOM 0 HA GLU A 56 2.815 -1.862 -7.459 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.419 -2.716 -9.678 1.00 0.00 H new ATOM 0 HB3 GLU A 56 5.069 -2.160 -9.480 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.203 -4.448 -9.012 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.181 -3.708 -7.424 1.00 0.00 H new ATOM 805 N ALA A 57 4.583 -1.978 -5.705 1.00 0.00 N ATOM 806 CA ALA A 57 5.518 -1.886 -4.590 1.00 0.00 C ATOM 807 C ALA A 57 6.220 -3.219 -4.351 1.00 0.00 C ATOM 808 O ALA A 57 5.594 -4.278 -4.387 1.00 0.00 O ATOM 809 CB ALA A 57 4.794 -1.436 -3.330 1.00 0.00 C ATOM 0 H ALA A 57 3.776 -2.577 -5.531 1.00 0.00 H new ATOM 0 HA ALA A 57 6.277 -1.146 -4.844 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.504 -1.372 -2.506 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.344 -0.458 -3.499 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.014 -2.156 -3.082 1.00 0.00 H new ATOM 815 N THR A 58 7.526 -3.159 -4.108 1.00 0.00 N ATOM 816 CA THR A 58 8.314 -4.361 -3.866 1.00 0.00 C ATOM 817 C THR A 58 7.778 -5.137 -2.668 1.00 0.00 C ATOM 818 O THR A 58 7.308 -4.549 -1.694 1.00 0.00 O ATOM 819 CB THR A 58 9.796 -4.021 -3.621 1.00 0.00 C ATOM 820 OG1 THR A 58 10.307 -3.243 -4.710 1.00 0.00 O ATOM 821 CG2 THR A 58 10.623 -5.288 -3.464 1.00 0.00 C ATOM 0 H THR A 58 8.060 -2.291 -4.074 1.00 0.00 H new ATOM 0 HA THR A 58 8.233 -4.978 -4.761 1.00 0.00 H new ATOM 0 HB THR A 58 9.866 -3.444 -2.699 1.00 0.00 H new ATOM 0 HG1 THR A 58 11.249 -3.030 -4.546 1.00 0.00 H new ATOM 0 HG21 THR A 58 11.666 -5.023 -3.292 1.00 0.00 H new ATOM 0 HG22 THR A 58 10.250 -5.863 -2.616 1.00 0.00 H new ATOM 0 HG23 THR A 58 10.546 -5.887 -4.371 1.00 0.00 H new ATOM 829 N VAL A 59 7.853 -6.462 -2.746 1.00 0.00 N ATOM 830 CA VAL A 59 7.377 -7.319 -1.667 1.00 0.00 C ATOM 831 C VAL A 59 8.444 -8.326 -1.254 1.00 0.00 C ATOM 832 O VAL A 59 9.081 -8.953 -2.099 1.00 0.00 O ATOM 833 CB VAL A 59 6.101 -8.078 -2.075 1.00 0.00 C ATOM 834 CG1 VAL A 59 5.647 -9.001 -0.954 1.00 0.00 C ATOM 835 CG2 VAL A 59 4.997 -7.101 -2.452 1.00 0.00 C ATOM 0 H VAL A 59 8.239 -6.965 -3.545 1.00 0.00 H new ATOM 0 HA VAL A 59 7.149 -6.668 -0.823 1.00 0.00 H new ATOM 0 HB VAL A 59 6.327 -8.690 -2.948 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.744 -9.529 -1.261 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.434 -9.724 -0.737 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.438 -8.413 -0.061 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.103 -7.655 -2.738 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.771 -6.461 -1.599 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.326 -6.486 -3.290 1.00 0.00 H new ATOM 845 N ASN A 60 8.634 -8.476 0.053 1.00 0.00 N ATOM 846 CA ASN A 60 9.625 -9.408 0.580 1.00 0.00 C ATOM 847 C ASN A 60 8.968 -10.716 1.008 1.00 0.00 C ATOM 848 O ASN A 60 8.359 -10.797 2.076 1.00 0.00 O ATOM 849 CB ASN A 60 10.364 -8.783 1.765 1.00 0.00 C ATOM 850 CG ASN A 60 11.589 -9.581 2.168 1.00 0.00 C ATOM 851 OD1 ASN A 60 12.162 -10.311 1.359 1.00 0.00 O ATOM 852 ND2 ASN A 60 11.995 -9.447 3.425 1.00 0.00 N ATOM 0 H ASN A 60 8.115 -7.964 0.767 1.00 0.00 H new ATOM 0 HA ASN A 60 10.341 -9.625 -0.213 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.664 -7.767 1.508 1.00 0.00 H new ATOM 0 HB3 ASN A 60 9.686 -8.710 2.615 1.00 0.00 H new ATOM 0 HD21 ASN A 60 12.812 -9.961 3.754 1.00 0.00 H new ATOM 0 HD22 ASN A 60 11.489 -8.831 4.061 1.00 0.00 H new ATOM 859 N ARG A 61 9.095 -11.739 0.169 1.00 0.00 N ATOM 860 CA ARG A 61 8.513 -13.044 0.461 1.00 0.00 C ATOM 861 C ARG A 61 9.249 -13.722 1.613 1.00 0.00 C ATOM 862 O ARG A 61 8.651 -14.462 2.396 1.00 0.00 O ATOM 863 CB ARG A 61 8.558 -13.935 -0.781 1.00 0.00 C ATOM 864 CG ARG A 61 7.511 -13.579 -1.824 1.00 0.00 C ATOM 865 CD ARG A 61 7.821 -12.250 -2.494 1.00 0.00 C ATOM 866 NE ARG A 61 6.831 -11.906 -3.512 1.00 0.00 N ATOM 867 CZ ARG A 61 7.052 -11.029 -4.485 1.00 0.00 C ATOM 868 NH1 ARG A 61 8.222 -10.411 -4.571 1.00 0.00 N ATOM 869 NH2 ARG A 61 6.102 -10.769 -5.373 1.00 0.00 N ATOM 0 H ARG A 61 9.596 -11.689 -0.718 1.00 0.00 H new ATOM 0 HA ARG A 61 7.474 -12.893 0.755 1.00 0.00 H new ATOM 0 HB2 ARG A 61 9.547 -13.864 -1.233 1.00 0.00 H new ATOM 0 HB3 ARG A 61 8.419 -14.973 -0.478 1.00 0.00 H new ATOM 0 HG2 ARG A 61 7.465 -14.365 -2.577 1.00 0.00 H new ATOM 0 HG3 ARG A 61 6.529 -13.530 -1.353 1.00 0.00 H new ATOM 0 HD2 ARG A 61 7.854 -11.463 -1.740 1.00 0.00 H new ATOM 0 HD3 ARG A 61 8.810 -12.296 -2.951 1.00 0.00 H new ATOM 0 HE ARG A 61 5.921 -12.364 -3.473 1.00 0.00 H new ATOM 0 HH11 ARG A 61 8.954 -10.609 -3.889 1.00 0.00 H new ATOM 0 HH12 ARG A 61 8.390 -9.738 -5.319 1.00 0.00 H new ATOM 0 HH21 ARG A 61 5.201 -11.243 -5.309 1.00 0.00 H new ATOM 0 HH22 ARG A 61 6.272 -10.095 -6.120 1.00 0.00 H new ATOM 883 N LEU A 62 10.549 -13.465 1.711 1.00 0.00 N ATOM 884 CA LEU A 62 11.367 -14.051 2.767 1.00 0.00 C ATOM 885 C LEU A 62 10.699 -13.885 4.128 1.00 0.00 C ATOM 886 O LEU A 62 10.590 -14.840 4.897 1.00 0.00 O ATOM 887 CB LEU A 62 12.753 -13.404 2.784 1.00 0.00 C ATOM 888 CG LEU A 62 13.722 -13.866 1.695 1.00 0.00 C ATOM 889 CD1 LEU A 62 14.240 -15.264 1.999 1.00 0.00 C ATOM 890 CD2 LEU A 62 13.049 -13.829 0.331 1.00 0.00 C ATOM 0 H LEU A 62 11.059 -12.855 1.072 1.00 0.00 H new ATOM 0 HA LEU A 62 11.473 -15.116 2.562 1.00 0.00 H new ATOM 0 HB2 LEU A 62 12.629 -12.324 2.698 1.00 0.00 H new ATOM 0 HB3 LEU A 62 13.210 -13.596 3.755 1.00 0.00 H new ATOM 0 HG LEU A 62 14.571 -13.182 1.677 1.00 0.00 H new ATOM 0 HD11 LEU A 62 14.928 -15.576 1.213 1.00 0.00 H new ATOM 0 HD12 LEU A 62 14.761 -15.259 2.956 1.00 0.00 H new ATOM 0 HD13 LEU A 62 13.403 -15.960 2.045 1.00 0.00 H new ATOM 0 HD21 LEU A 62 13.754 -14.161 -0.432 1.00 0.00 H new ATOM 0 HD22 LEU A 62 12.181 -14.489 0.335 1.00 0.00 H new ATOM 0 HD23 LEU A 62 12.729 -12.811 0.111 1.00 0.00 H new ATOM 902 N GLN A 63 10.253 -12.667 4.418 1.00 0.00 N ATOM 903 CA GLN A 63 9.595 -12.377 5.686 1.00 0.00 C ATOM 904 C GLN A 63 8.103 -12.687 5.609 1.00 0.00 C ATOM 905 O GLN A 63 7.529 -13.255 6.538 1.00 0.00 O ATOM 906 CB GLN A 63 9.803 -10.911 6.070 1.00 0.00 C ATOM 907 CG GLN A 63 11.263 -10.535 6.265 1.00 0.00 C ATOM 908 CD GLN A 63 11.903 -11.263 7.430 1.00 0.00 C ATOM 909 OE1 GLN A 63 11.247 -12.037 8.129 1.00 0.00 O ATOM 910 NE2 GLN A 63 13.190 -11.020 7.646 1.00 0.00 N ATOM 0 H GLN A 63 10.335 -11.866 3.792 1.00 0.00 H new ATOM 0 HA GLN A 63 10.041 -13.013 6.451 1.00 0.00 H new ATOM 0 HB2 GLN A 63 9.373 -10.276 5.295 1.00 0.00 H new ATOM 0 HB3 GLN A 63 9.257 -10.704 6.990 1.00 0.00 H new ATOM 0 HG2 GLN A 63 11.817 -10.759 5.353 1.00 0.00 H new ATOM 0 HG3 GLN A 63 11.339 -9.460 6.428 1.00 0.00 H new ATOM 0 HE21 GLN A 63 13.695 -10.371 7.042 1.00 0.00 H new ATOM 0 HE22 GLN A 63 13.674 -11.482 8.416 1.00 0.00 H new ATOM 919 N SER A 64 7.482 -12.311 4.496 1.00 0.00 N ATOM 920 CA SER A 64 6.057 -12.545 4.299 1.00 0.00 C ATOM 921 C SER A 64 5.664 -13.939 4.779 1.00 0.00 C ATOM 922 O SER A 64 6.369 -14.915 4.527 1.00 0.00 O ATOM 923 CB SER A 64 5.690 -12.380 2.823 1.00 0.00 C ATOM 924 OG SER A 64 4.300 -12.153 2.665 1.00 0.00 O ATOM 0 H SER A 64 7.944 -11.843 3.716 1.00 0.00 H new ATOM 0 HA SER A 64 5.509 -11.809 4.887 1.00 0.00 H new ATOM 0 HB2 SER A 64 6.248 -11.546 2.397 1.00 0.00 H new ATOM 0 HB3 SER A 64 5.981 -13.274 2.271 1.00 0.00 H new ATOM 0 HG SER A 64 3.870 -12.131 3.545 1.00 0.00 H new ATOM 930 N ASN A 65 4.533 -14.022 5.473 1.00 0.00 N ATOM 931 CA ASN A 65 4.046 -15.296 5.990 1.00 0.00 C ATOM 932 C ASN A 65 2.544 -15.437 5.760 1.00 0.00 C ATOM 933 O ASN A 65 1.878 -14.488 5.350 1.00 0.00 O ATOM 934 CB ASN A 65 4.358 -15.417 7.483 1.00 0.00 C ATOM 935 CG ASN A 65 4.176 -16.831 7.999 1.00 0.00 C ATOM 936 OD1 ASN A 65 4.788 -17.772 7.494 1.00 0.00 O ATOM 937 ND2 ASN A 65 3.329 -16.987 9.010 1.00 0.00 N ATOM 0 H ASN A 65 3.937 -13.223 5.690 1.00 0.00 H new ATOM 0 HA ASN A 65 4.555 -16.097 5.453 1.00 0.00 H new ATOM 0 HB2 ASN A 65 5.384 -15.096 7.664 1.00 0.00 H new ATOM 0 HB3 ASN A 65 3.710 -14.743 8.043 1.00 0.00 H new ATOM 0 HD21 ASN A 65 3.164 -17.916 9.399 1.00 0.00 H new ATOM 0 HD22 ASN A 65 2.843 -16.178 9.398 1.00 0.00 H new ATOM 944 N GLU A 66 2.020 -16.629 6.027 1.00 0.00 N ATOM 945 CA GLU A 66 0.597 -16.894 5.849 1.00 0.00 C ATOM 946 C GLU A 66 -0.246 -15.838 6.557 1.00 0.00 C ATOM 947 O GLU A 66 -1.415 -15.637 6.228 1.00 0.00 O ATOM 948 CB GLU A 66 0.244 -18.285 6.380 1.00 0.00 C ATOM 949 CG GLU A 66 -0.006 -18.319 7.879 1.00 0.00 C ATOM 950 CD GLU A 66 -0.037 -19.730 8.433 1.00 0.00 C ATOM 951 OE1 GLU A 66 0.856 -20.527 8.078 1.00 0.00 O ATOM 952 OE2 GLU A 66 -0.954 -20.036 9.224 1.00 0.00 O ATOM 0 H GLU A 66 2.559 -17.426 6.367 1.00 0.00 H new ATOM 0 HA GLU A 66 0.377 -16.854 4.782 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -0.645 -18.647 5.864 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.055 -18.973 6.140 1.00 0.00 H new ATOM 0 HG2 GLU A 66 0.773 -17.750 8.387 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.953 -17.826 8.097 1.00 0.00 H new ATOM 959 N VAL A 67 0.356 -15.166 7.533 1.00 0.00 N ATOM 960 CA VAL A 67 -0.339 -14.130 8.289 1.00 0.00 C ATOM 961 C VAL A 67 0.522 -12.879 8.425 1.00 0.00 C ATOM 962 O VAL A 67 0.430 -12.152 9.415 1.00 0.00 O ATOM 963 CB VAL A 67 -0.729 -14.626 9.694 1.00 0.00 C ATOM 964 CG1 VAL A 67 -1.666 -15.820 9.597 1.00 0.00 C ATOM 965 CG2 VAL A 67 0.513 -14.977 10.499 1.00 0.00 C ATOM 0 H VAL A 67 1.323 -15.320 7.819 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.245 -13.887 7.734 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.254 -13.823 10.211 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.931 -16.157 10.599 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.570 -15.531 9.061 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -1.170 -16.629 9.061 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.219 -15.326 11.489 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.068 -15.764 9.988 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.144 -14.094 10.598 1.00 0.00 H new ATOM 975 N THR A 68 1.360 -12.632 7.423 1.00 0.00 N ATOM 976 CA THR A 68 2.238 -11.469 7.430 1.00 0.00 C ATOM 977 C THR A 68 2.622 -11.061 6.012 1.00 0.00 C ATOM 978 O THR A 68 2.861 -11.911 5.153 1.00 0.00 O ATOM 979 CB THR A 68 3.521 -11.738 8.239 1.00 0.00 C ATOM 980 OG1 THR A 68 3.185 -12.112 9.579 1.00 0.00 O ATOM 981 CG2 THR A 68 4.416 -10.509 8.259 1.00 0.00 C ATOM 0 H THR A 68 1.449 -13.222 6.596 1.00 0.00 H new ATOM 0 HA THR A 68 1.683 -10.658 7.901 1.00 0.00 H new ATOM 0 HB THR A 68 4.062 -12.554 7.760 1.00 0.00 H new ATOM 0 HG1 THR A 68 4.006 -12.283 10.086 1.00 0.00 H new ATOM 0 HG21 THR A 68 5.316 -10.723 8.836 1.00 0.00 H new ATOM 0 HG22 THR A 68 4.694 -10.245 7.239 1.00 0.00 H new ATOM 0 HG23 THR A 68 3.881 -9.677 8.717 1.00 0.00 H new ATOM 989 N LEU A 69 2.679 -9.755 5.772 1.00 0.00 N ATOM 990 CA LEU A 69 3.034 -9.234 4.457 1.00 0.00 C ATOM 991 C LEU A 69 4.021 -8.077 4.578 1.00 0.00 C ATOM 992 O LEU A 69 3.649 -6.965 4.953 1.00 0.00 O ATOM 993 CB LEU A 69 1.780 -8.773 3.713 1.00 0.00 C ATOM 994 CG LEU A 69 1.004 -9.859 2.967 1.00 0.00 C ATOM 995 CD1 LEU A 69 -0.360 -9.342 2.538 1.00 0.00 C ATOM 996 CD2 LEU A 69 1.795 -10.346 1.761 1.00 0.00 C ATOM 0 H LEU A 69 2.484 -9.038 6.471 1.00 0.00 H new ATOM 0 HA LEU A 69 3.509 -10.036 3.892 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.108 -8.303 4.431 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.069 -8.004 2.997 1.00 0.00 H new ATOM 0 HG LEU A 69 0.854 -10.701 3.643 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.897 -10.129 2.009 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.929 -9.043 3.418 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.233 -8.483 1.879 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.228 -11.119 1.242 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.976 -9.512 1.083 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.748 -10.757 2.093 1.00 0.00 H new ATOM 1008 N THR A 70 5.283 -8.347 4.257 1.00 0.00 N ATOM 1009 CA THR A 70 6.324 -7.329 4.329 1.00 0.00 C ATOM 1010 C THR A 70 6.598 -6.725 2.957 1.00 0.00 C ATOM 1011 O THR A 70 7.025 -7.422 2.035 1.00 0.00 O ATOM 1012 CB THR A 70 7.635 -7.906 4.895 1.00 0.00 C ATOM 1013 OG1 THR A 70 7.376 -8.604 6.118 1.00 0.00 O ATOM 1014 CG2 THR A 70 8.651 -6.800 5.143 1.00 0.00 C ATOM 0 H THR A 70 5.608 -9.262 3.945 1.00 0.00 H new ATOM 0 HA THR A 70 5.959 -6.550 4.999 1.00 0.00 H new ATOM 0 HB THR A 70 8.047 -8.599 4.161 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.208 -8.690 6.628 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.569 -7.232 5.543 1.00 0.00 H new ATOM 0 HG22 THR A 70 8.869 -6.289 4.205 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.244 -6.086 5.859 1.00 0.00 H new ATOM 1022 N LEU A 71 6.353 -5.426 2.828 1.00 0.00 N ATOM 1023 CA LEU A 71 6.574 -4.727 1.566 1.00 0.00 C ATOM 1024 C LEU A 71 7.236 -3.374 1.803 1.00 0.00 C ATOM 1025 O LEU A 71 7.391 -2.936 2.943 1.00 0.00 O ATOM 1026 CB LEU A 71 5.249 -4.538 0.826 1.00 0.00 C ATOM 1027 CG LEU A 71 4.390 -3.357 1.280 1.00 0.00 C ATOM 1028 CD1 LEU A 71 3.521 -2.858 0.136 1.00 0.00 C ATOM 1029 CD2 LEU A 71 3.531 -3.750 2.473 1.00 0.00 C ATOM 0 H LEU A 71 6.001 -4.835 3.581 1.00 0.00 H new ATOM 0 HA LEU A 71 7.240 -5.334 0.954 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.463 -4.419 -0.236 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.663 -5.451 0.933 1.00 0.00 H new ATOM 0 HG LEU A 71 5.052 -2.547 1.586 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.917 -2.018 0.478 1.00 0.00 H new ATOM 0 HD12 LEU A 71 4.156 -2.536 -0.690 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.867 -3.662 -0.201 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.926 -2.898 2.783 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.877 -4.576 2.194 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.173 -4.058 3.298 1.00 0.00 H new ATOM 1041 N THR A 72 7.624 -2.712 0.716 1.00 0.00 N ATOM 1042 CA THR A 72 8.268 -1.408 0.805 1.00 0.00 C ATOM 1043 C THR A 72 7.371 -0.313 0.239 1.00 0.00 C ATOM 1044 O THR A 72 6.821 -0.450 -0.853 1.00 0.00 O ATOM 1045 CB THR A 72 9.613 -1.394 0.054 1.00 0.00 C ATOM 1046 OG1 THR A 72 10.397 -2.531 0.431 1.00 0.00 O ATOM 1047 CG2 THR A 72 10.386 -0.118 0.353 1.00 0.00 C ATOM 0 H THR A 72 7.503 -3.058 -0.236 1.00 0.00 H new ATOM 0 HA THR A 72 8.449 -1.215 1.862 1.00 0.00 H new ATOM 0 HB THR A 72 9.407 -1.434 -1.016 1.00 0.00 H new ATOM 0 HG1 THR A 72 11.249 -2.515 -0.052 1.00 0.00 H new ATOM 0 HG21 THR A 72 11.332 -0.130 -0.188 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.799 0.745 0.038 1.00 0.00 H new ATOM 0 HG23 THR A 72 10.581 -0.053 1.423 1.00 0.00 H new ATOM 1055 N VAL A 73 7.229 0.776 0.990 1.00 0.00 N ATOM 1056 CA VAL A 73 6.400 1.896 0.562 1.00 0.00 C ATOM 1057 C VAL A 73 6.846 2.421 -0.799 1.00 0.00 C ATOM 1058 O VAL A 73 7.995 2.815 -0.994 1.00 0.00 O ATOM 1059 CB VAL A 73 6.443 3.048 1.583 1.00 0.00 C ATOM 1060 CG1 VAL A 73 5.529 4.183 1.148 1.00 0.00 C ATOM 1061 CG2 VAL A 73 6.062 2.546 2.968 1.00 0.00 C ATOM 0 H VAL A 73 7.677 0.905 1.897 1.00 0.00 H new ATOM 0 HA VAL A 73 5.378 1.524 0.488 1.00 0.00 H new ATOM 0 HB VAL A 73 7.462 3.432 1.628 1.00 0.00 H new ATOM 0 HG11 VAL A 73 5.573 4.987 1.882 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.853 4.559 0.178 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.505 3.817 1.072 1.00 0.00 H new ATOM 0 HG21 VAL A 73 6.098 3.373 3.677 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.053 2.134 2.941 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.762 1.771 3.279 1.00 0.00 H new ATOM 1071 N PRO A 74 5.914 2.427 -1.764 1.00 0.00 N ATOM 1072 CA PRO A 74 6.187 2.903 -3.124 1.00 0.00 C ATOM 1073 C PRO A 74 6.395 4.412 -3.179 1.00 0.00 C ATOM 1074 O PRO A 74 6.136 5.119 -2.207 1.00 0.00 O ATOM 1075 CB PRO A 74 4.926 2.508 -3.897 1.00 0.00 C ATOM 1076 CG PRO A 74 3.854 2.442 -2.864 1.00 0.00 C ATOM 1077 CD PRO A 74 4.523 1.972 -1.602 1.00 0.00 C ATOM 0 HA PRO A 74 7.104 2.475 -3.530 1.00 0.00 H new ATOM 0 HB2 PRO A 74 4.688 3.241 -4.668 1.00 0.00 H new ATOM 0 HB3 PRO A 74 5.053 1.548 -4.398 1.00 0.00 H new ATOM 0 HG2 PRO A 74 3.391 3.418 -2.720 1.00 0.00 H new ATOM 0 HG3 PRO A 74 3.063 1.755 -3.166 1.00 0.00 H new ATOM 0 HD2 PRO A 74 4.059 2.405 -0.716 1.00 0.00 H new ATOM 0 HD3 PRO A 74 4.464 0.889 -1.495 1.00 0.00 H new ATOM 1085 N GLU A 75 6.865 4.898 -4.324 1.00 0.00 N ATOM 1086 CA GLU A 75 7.109 6.324 -4.505 1.00 0.00 C ATOM 1087 C GLU A 75 5.881 7.016 -5.092 1.00 0.00 C ATOM 1088 O GLU A 75 5.189 6.457 -5.943 1.00 0.00 O ATOM 1089 CB GLU A 75 8.318 6.547 -5.416 1.00 0.00 C ATOM 1090 CG GLU A 75 9.651 6.321 -4.724 1.00 0.00 C ATOM 1091 CD GLU A 75 10.030 4.854 -4.651 1.00 0.00 C ATOM 1092 OE1 GLU A 75 10.612 4.342 -5.630 1.00 0.00 O ATOM 1093 OE2 GLU A 75 9.744 4.218 -3.615 1.00 0.00 O ATOM 0 H GLU A 75 7.084 4.325 -5.139 1.00 0.00 H new ATOM 0 HA GLU A 75 7.316 6.757 -3.527 1.00 0.00 H new ATOM 0 HB2 GLU A 75 8.245 5.877 -6.273 1.00 0.00 H new ATOM 0 HB3 GLU A 75 8.287 7.565 -5.804 1.00 0.00 H new ATOM 0 HG2 GLU A 75 10.430 6.867 -5.256 1.00 0.00 H new ATOM 0 HG3 GLU A 75 9.606 6.731 -3.715 1.00 0.00 H new ATOM 1100 N TYR A 76 5.619 8.233 -4.631 1.00 0.00 N ATOM 1101 CA TYR A 76 4.474 9.000 -5.108 1.00 0.00 C ATOM 1102 C TYR A 76 4.744 9.578 -6.494 1.00 0.00 C ATOM 1103 O TYR A 76 5.881 9.584 -6.966 1.00 0.00 O ATOM 1104 CB TYR A 76 4.146 10.128 -4.128 1.00 0.00 C ATOM 1105 CG TYR A 76 2.856 10.851 -4.447 1.00 0.00 C ATOM 1106 CD1 TYR A 76 1.679 10.147 -4.666 1.00 0.00 C ATOM 1107 CD2 TYR A 76 2.816 12.237 -4.529 1.00 0.00 C ATOM 1108 CE1 TYR A 76 0.498 10.803 -4.958 1.00 0.00 C ATOM 1109 CE2 TYR A 76 1.640 12.901 -4.819 1.00 0.00 C ATOM 1110 CZ TYR A 76 0.484 12.180 -5.033 1.00 0.00 C ATOM 1111 OH TYR A 76 -0.690 12.838 -5.324 1.00 0.00 O ATOM 0 H TYR A 76 6.183 8.710 -3.928 1.00 0.00 H new ATOM 0 HA TYR A 76 3.620 8.326 -5.176 1.00 0.00 H new ATOM 0 HB2 TYR A 76 4.082 9.716 -3.121 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.965 10.847 -4.127 1.00 0.00 H new ATOM 0 HD1 TYR A 76 1.687 9.069 -4.607 1.00 0.00 H new ATOM 0 HD2 TYR A 76 3.719 12.805 -4.363 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -0.408 10.241 -5.126 1.00 0.00 H new ATOM 0 HE2 TYR A 76 1.626 13.979 -4.878 1.00 0.00 H new ATOM 0 HH TYR A 76 -0.528 13.804 -5.338 1.00 0.00 H new ATOM 1121 N SER A 77 3.690 10.064 -7.141 1.00 0.00 N ATOM 1122 CA SER A 77 3.811 10.642 -8.474 1.00 0.00 C ATOM 1123 C SER A 77 4.279 12.092 -8.398 1.00 0.00 C ATOM 1124 O SER A 77 5.200 12.496 -9.106 1.00 0.00 O ATOM 1125 CB SER A 77 2.472 10.565 -9.210 1.00 0.00 C ATOM 1126 OG SER A 77 1.587 11.578 -8.767 1.00 0.00 O ATOM 0 H SER A 77 2.742 10.069 -6.764 1.00 0.00 H new ATOM 0 HA SER A 77 4.555 10.067 -9.025 1.00 0.00 H new ATOM 0 HB2 SER A 77 2.637 10.666 -10.283 1.00 0.00 H new ATOM 0 HB3 SER A 77 2.020 9.587 -9.047 1.00 0.00 H new ATOM 0 HG SER A 77 0.739 11.508 -9.254 1.00 0.00 H new ATOM 1132 N ASN A 78 3.636 12.870 -7.532 1.00 0.00 N ATOM 1133 CA ASN A 78 3.985 14.276 -7.363 1.00 0.00 C ATOM 1134 C ASN A 78 4.799 14.484 -6.089 1.00 0.00 C ATOM 1135 O ASN A 78 4.449 15.306 -5.242 1.00 0.00 O ATOM 1136 CB ASN A 78 2.720 15.135 -7.319 1.00 0.00 C ATOM 1137 CG ASN A 78 2.953 16.535 -7.854 1.00 0.00 C ATOM 1138 OD1 ASN A 78 4.095 16.967 -8.017 1.00 0.00 O ATOM 1139 ND2 ASN A 78 1.870 17.251 -8.128 1.00 0.00 N ATOM 0 H ASN A 78 2.871 12.551 -6.937 1.00 0.00 H new ATOM 0 HA ASN A 78 4.593 14.579 -8.216 1.00 0.00 H new ATOM 0 HB2 ASN A 78 1.936 14.652 -7.902 1.00 0.00 H new ATOM 0 HB3 ASN A 78 2.361 15.197 -6.292 1.00 0.00 H new ATOM 0 HD21 ASN A 78 1.964 18.200 -8.489 1.00 0.00 H new ATOM 0 HD22 ASN A 78 0.943 16.852 -7.977 1.00 0.00 H new ATOM 1146 N LYS A 79 5.888 13.734 -5.960 1.00 0.00 N ATOM 1147 CA LYS A 79 6.755 13.836 -4.792 1.00 0.00 C ATOM 1148 C LYS A 79 7.131 15.289 -4.519 1.00 0.00 C ATOM 1149 O LYS A 79 7.527 15.639 -3.407 1.00 0.00 O ATOM 1150 CB LYS A 79 8.020 13.000 -4.995 1.00 0.00 C ATOM 1151 CG LYS A 79 7.865 11.549 -4.577 1.00 0.00 C ATOM 1152 CD LYS A 79 8.793 10.639 -5.363 1.00 0.00 C ATOM 1153 CE LYS A 79 10.163 10.541 -4.710 1.00 0.00 C ATOM 1154 NZ LYS A 79 11.167 9.919 -5.617 1.00 0.00 N ATOM 0 H LYS A 79 6.192 13.048 -6.651 1.00 0.00 H new ATOM 0 HA LYS A 79 6.208 13.452 -3.930 1.00 0.00 H new ATOM 0 HB2 LYS A 79 8.305 13.038 -6.046 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.836 13.447 -4.427 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.075 11.452 -3.512 1.00 0.00 H new ATOM 0 HG3 LYS A 79 6.832 11.235 -4.728 1.00 0.00 H new ATOM 0 HD2 LYS A 79 8.352 9.645 -5.437 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.900 11.017 -6.380 1.00 0.00 H new ATOM 0 HE2 LYS A 79 10.501 11.537 -4.423 1.00 0.00 H new ATOM 0 HE3 LYS A 79 10.088 9.954 -3.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 12.087 9.870 -5.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.858 8.959 -5.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 11.258 10.493 -6.480 1.00 0.00 H new ATOM 1168 N ARG A 80 7.002 16.131 -5.540 1.00 0.00 N ATOM 1169 CA ARG A 80 7.328 17.546 -5.409 1.00 0.00 C ATOM 1170 C ARG A 80 6.156 18.321 -4.812 1.00 0.00 C ATOM 1171 O ARG A 80 5.719 19.330 -5.366 1.00 0.00 O ATOM 1172 CB ARG A 80 7.700 18.133 -6.771 1.00 0.00 C ATOM 1173 CG ARG A 80 8.794 17.359 -7.490 1.00 0.00 C ATOM 1174 CD ARG A 80 10.161 17.632 -6.882 1.00 0.00 C ATOM 1175 NE ARG A 80 10.560 19.028 -7.038 1.00 0.00 N ATOM 1176 CZ ARG A 80 11.818 19.446 -6.957 1.00 0.00 C ATOM 1177 NH1 ARG A 80 12.794 18.580 -6.723 1.00 0.00 N ATOM 1178 NH2 ARG A 80 12.102 20.733 -7.110 1.00 0.00 N ATOM 0 H ARG A 80 6.674 15.858 -6.466 1.00 0.00 H new ATOM 0 HA ARG A 80 8.181 17.636 -4.737 1.00 0.00 H new ATOM 0 HB2 ARG A 80 6.811 18.159 -7.401 1.00 0.00 H new ATOM 0 HB3 ARG A 80 8.025 19.165 -6.636 1.00 0.00 H new ATOM 0 HG2 ARG A 80 8.579 16.292 -7.440 1.00 0.00 H new ATOM 0 HG3 ARG A 80 8.802 17.633 -8.545 1.00 0.00 H new ATOM 0 HD2 ARG A 80 10.144 17.376 -5.823 1.00 0.00 H new ATOM 0 HD3 ARG A 80 10.903 16.988 -7.354 1.00 0.00 H new ATOM 0 HE ARG A 80 9.833 19.720 -7.219 1.00 0.00 H new ATOM 0 HH11 ARG A 80 12.580 17.590 -6.605 1.00 0.00 H new ATOM 0 HH12 ARG A 80 13.759 18.904 -6.661 1.00 0.00 H new ATOM 0 HH21 ARG A 80 11.354 21.402 -7.290 1.00 0.00 H new ATOM 0 HH22 ARG A 80 13.069 21.053 -7.048 1.00 0.00 H new ATOM 1192 N VAL A 81 5.652 17.841 -3.680 1.00 0.00 N ATOM 1193 CA VAL A 81 4.532 18.489 -3.007 1.00 0.00 C ATOM 1194 C VAL A 81 4.890 18.856 -1.572 1.00 0.00 C ATOM 1195 O VAL A 81 5.450 18.045 -0.834 1.00 0.00 O ATOM 1196 CB VAL A 81 3.284 17.585 -2.998 1.00 0.00 C ATOM 1197 CG1 VAL A 81 2.723 17.434 -4.403 1.00 0.00 C ATOM 1198 CG2 VAL A 81 3.616 16.226 -2.399 1.00 0.00 C ATOM 0 H VAL A 81 6.001 17.006 -3.210 1.00 0.00 H new ATOM 0 HA VAL A 81 4.310 19.398 -3.566 1.00 0.00 H new ATOM 0 HB VAL A 81 2.521 18.055 -2.377 1.00 0.00 H new ATOM 0 HG11 VAL A 81 1.842 16.792 -4.376 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.446 18.414 -4.792 1.00 0.00 H new ATOM 0 HG13 VAL A 81 3.478 16.987 -5.050 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.724 15.600 -2.400 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.396 15.748 -2.992 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.967 16.356 -1.375 1.00 0.00 H new ATOM 1208 N SER A 82 4.564 20.084 -1.182 1.00 0.00 N ATOM 1209 CA SER A 82 4.854 20.561 0.165 1.00 0.00 C ATOM 1210 C SER A 82 3.770 20.120 1.143 1.00 0.00 C ATOM 1211 O SER A 82 3.949 20.194 2.359 1.00 0.00 O ATOM 1212 CB SER A 82 4.975 22.086 0.174 1.00 0.00 C ATOM 1213 OG SER A 82 5.511 22.549 1.401 1.00 0.00 O ATOM 0 H SER A 82 4.099 20.767 -1.780 1.00 0.00 H new ATOM 0 HA SER A 82 5.802 20.126 0.481 1.00 0.00 H new ATOM 0 HB2 SER A 82 5.613 22.408 -0.649 1.00 0.00 H new ATOM 0 HB3 SER A 82 3.994 22.532 0.011 1.00 0.00 H new ATOM 0 HG SER A 82 5.167 22.000 2.136 1.00 0.00 H new ATOM 1219 N ARG A 83 2.646 19.660 0.604 1.00 0.00 N ATOM 1220 CA ARG A 83 1.532 19.208 1.428 1.00 0.00 C ATOM 1221 C ARG A 83 1.337 17.700 1.298 1.00 0.00 C ATOM 1222 O ARG A 83 1.622 17.099 0.262 1.00 0.00 O ATOM 1223 CB ARG A 83 0.247 19.935 1.029 1.00 0.00 C ATOM 1224 CG ARG A 83 0.276 21.427 1.320 1.00 0.00 C ATOM 1225 CD ARG A 83 -1.118 21.967 1.600 1.00 0.00 C ATOM 1226 NE ARG A 83 -1.086 23.356 2.051 1.00 0.00 N ATOM 1227 CZ ARG A 83 -0.983 24.393 1.228 1.00 0.00 C ATOM 1228 NH1 ARG A 83 -0.904 24.200 -0.081 1.00 0.00 N ATOM 1229 NH2 ARG A 83 -0.961 25.628 1.715 1.00 0.00 N ATOM 0 H ARG A 83 2.483 19.591 -0.400 1.00 0.00 H new ATOM 0 HA ARG A 83 1.764 19.439 2.468 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.070 19.784 -0.036 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -0.594 19.486 1.558 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.921 21.619 2.178 1.00 0.00 H new ATOM 0 HG3 ARG A 83 0.709 21.956 0.471 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -1.724 21.893 0.697 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -1.600 21.350 2.359 1.00 0.00 H new ATOM 0 HE ARG A 83 -1.146 23.539 3.053 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -0.922 23.253 -0.459 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -0.825 24.999 -0.710 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -1.023 25.780 2.722 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -0.882 26.424 1.083 1.00 0.00 H new ATOM 1243 N PRO A 84 0.841 17.072 2.374 1.00 0.00 N ATOM 1244 CA PRO A 84 0.597 15.627 2.406 1.00 0.00 C ATOM 1245 C PRO A 84 -0.565 15.216 1.508 1.00 0.00 C ATOM 1246 O PRO A 84 -1.308 16.062 1.011 1.00 0.00 O ATOM 1247 CB PRO A 84 0.261 15.356 3.874 1.00 0.00 C ATOM 1248 CG PRO A 84 -0.266 16.651 4.388 1.00 0.00 C ATOM 1249 CD PRO A 84 0.479 17.725 3.644 1.00 0.00 C ATOM 0 HA PRO A 84 1.453 15.061 2.040 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -0.479 14.561 3.970 1.00 0.00 H new ATOM 0 HB3 PRO A 84 1.143 15.039 4.430 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -1.340 16.731 4.217 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -0.107 16.738 5.463 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -0.142 18.605 3.480 1.00 0.00 H new ATOM 0 HD3 PRO A 84 1.362 18.055 4.192 1.00 0.00 H new ATOM 1257 N VAL A 85 -0.717 13.911 1.305 1.00 0.00 N ATOM 1258 CA VAL A 85 -1.791 13.387 0.469 1.00 0.00 C ATOM 1259 C VAL A 85 -2.440 12.166 1.110 1.00 0.00 C ATOM 1260 O VAL A 85 -1.759 11.320 1.688 1.00 0.00 O ATOM 1261 CB VAL A 85 -1.276 13.006 -0.932 1.00 0.00 C ATOM 1262 CG1 VAL A 85 -2.368 12.314 -1.732 1.00 0.00 C ATOM 1263 CG2 VAL A 85 -0.764 14.237 -1.664 1.00 0.00 C ATOM 0 H VAL A 85 -0.110 13.197 1.708 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.533 14.180 0.372 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.446 12.309 -0.818 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -1.986 12.052 -2.719 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.681 11.409 -1.212 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.221 12.984 -1.839 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.404 13.949 -2.652 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.572 14.960 -1.769 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.052 14.685 -1.097 1.00 0.00 H new ATOM 1273 N GLN A 86 -3.762 12.081 1.001 1.00 0.00 N ATOM 1274 CA GLN A 86 -4.504 10.962 1.571 1.00 0.00 C ATOM 1275 C GLN A 86 -4.781 9.898 0.514 1.00 0.00 C ATOM 1276 O GLN A 86 -5.657 10.064 -0.335 1.00 0.00 O ATOM 1277 CB GLN A 86 -5.821 11.451 2.176 1.00 0.00 C ATOM 1278 CG GLN A 86 -6.732 10.327 2.642 1.00 0.00 C ATOM 1279 CD GLN A 86 -6.150 9.550 3.807 1.00 0.00 C ATOM 1280 OE1 GLN A 86 -5.500 10.119 4.684 1.00 0.00 O ATOM 1281 NE2 GLN A 86 -6.382 8.243 3.821 1.00 0.00 N ATOM 0 H GLN A 86 -4.341 12.772 0.524 1.00 0.00 H new ATOM 0 HA GLN A 86 -3.894 10.517 2.357 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -5.602 12.104 3.021 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -6.349 12.053 1.436 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -7.697 10.743 2.933 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -6.916 9.646 1.811 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -6.926 7.814 3.073 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -6.016 7.668 4.580 1.00 0.00 H new ATOM 1290 N VAL A 87 -4.028 8.804 0.571 1.00 0.00 N ATOM 1291 CA VAL A 87 -4.192 7.712 -0.381 1.00 0.00 C ATOM 1292 C VAL A 87 -4.598 6.424 0.326 1.00 0.00 C ATOM 1293 O VAL A 87 -4.668 6.372 1.554 1.00 0.00 O ATOM 1294 CB VAL A 87 -2.898 7.462 -1.177 1.00 0.00 C ATOM 1295 CG1 VAL A 87 -2.494 8.711 -1.946 1.00 0.00 C ATOM 1296 CG2 VAL A 87 -1.780 7.013 -0.249 1.00 0.00 C ATOM 0 H VAL A 87 -3.298 8.651 1.267 1.00 0.00 H new ATOM 0 HA VAL A 87 -4.982 8.009 -1.071 1.00 0.00 H new ATOM 0 HB VAL A 87 -3.084 6.665 -1.897 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -1.577 8.515 -2.502 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -3.289 8.984 -2.640 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -2.326 9.530 -1.247 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.873 6.841 -0.829 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.593 7.786 0.496 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -2.071 6.090 0.252 1.00 0.00 H new ATOM 1306 N TYR A 88 -4.865 5.385 -0.458 1.00 0.00 N ATOM 1307 CA TYR A 88 -5.266 4.095 0.092 1.00 0.00 C ATOM 1308 C TYR A 88 -4.620 2.949 -0.679 1.00 0.00 C ATOM 1309 O TYR A 88 -4.309 3.080 -1.863 1.00 0.00 O ATOM 1310 CB TYR A 88 -6.789 3.954 0.058 1.00 0.00 C ATOM 1311 CG TYR A 88 -7.521 5.144 0.637 1.00 0.00 C ATOM 1312 CD1 TYR A 88 -7.770 6.273 -0.132 1.00 0.00 C ATOM 1313 CD2 TYR A 88 -7.964 5.137 1.954 1.00 0.00 C ATOM 1314 CE1 TYR A 88 -8.438 7.362 0.394 1.00 0.00 C ATOM 1315 CE2 TYR A 88 -8.633 6.221 2.488 1.00 0.00 C ATOM 1316 CZ TYR A 88 -8.868 7.332 1.704 1.00 0.00 C ATOM 1317 OH TYR A 88 -9.534 8.414 2.231 1.00 0.00 O ATOM 0 H TYR A 88 -4.811 5.411 -1.476 1.00 0.00 H new ATOM 0 HA TYR A 88 -4.927 4.048 1.127 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -7.109 3.808 -0.974 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -7.075 3.059 0.610 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -7.436 6.300 -1.159 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -7.782 4.269 2.571 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -8.623 8.233 -0.218 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -8.970 6.199 3.514 1.00 0.00 H new ATOM 0 HH TYR A 88 -9.769 8.231 3.165 1.00 0.00 H new ATOM 1327 N PHE A 89 -4.423 1.824 0.001 1.00 0.00 N ATOM 1328 CA PHE A 89 -3.813 0.653 -0.619 1.00 0.00 C ATOM 1329 C PHE A 89 -4.530 -0.624 -0.190 1.00 0.00 C ATOM 1330 O PHE A 89 -5.097 -0.694 0.900 1.00 0.00 O ATOM 1331 CB PHE A 89 -2.331 0.568 -0.251 1.00 0.00 C ATOM 1332 CG PHE A 89 -2.077 0.608 1.229 1.00 0.00 C ATOM 1333 CD1 PHE A 89 -2.121 -0.553 1.984 1.00 0.00 C ATOM 1334 CD2 PHE A 89 -1.795 1.807 1.864 1.00 0.00 C ATOM 1335 CE1 PHE A 89 -1.889 -0.518 3.346 1.00 0.00 C ATOM 1336 CE2 PHE A 89 -1.562 1.847 3.226 1.00 0.00 C ATOM 1337 CZ PHE A 89 -1.608 0.683 3.968 1.00 0.00 C ATOM 0 H PHE A 89 -4.677 1.698 0.981 1.00 0.00 H new ATOM 0 HA PHE A 89 -3.906 0.755 -1.700 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -1.916 -0.354 -0.658 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.799 1.393 -0.725 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.339 -1.495 1.503 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.757 2.720 1.289 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -1.927 -1.430 3.924 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -1.344 2.788 3.710 1.00 0.00 H new ATOM 0 HZ PHE A 89 -1.425 0.712 5.032 1.00 0.00 H new ATOM 1347 N TYR A 90 -4.500 -1.631 -1.056 1.00 0.00 N ATOM 1348 CA TYR A 90 -5.148 -2.905 -0.769 1.00 0.00 C ATOM 1349 C TYR A 90 -4.308 -4.071 -1.280 1.00 0.00 C ATOM 1350 O TYR A 90 -3.277 -3.874 -1.923 1.00 0.00 O ATOM 1351 CB TYR A 90 -6.539 -2.947 -1.404 1.00 0.00 C ATOM 1352 CG TYR A 90 -6.550 -2.562 -2.866 1.00 0.00 C ATOM 1353 CD1 TYR A 90 -6.246 -3.494 -3.852 1.00 0.00 C ATOM 1354 CD2 TYR A 90 -6.862 -1.268 -3.262 1.00 0.00 C ATOM 1355 CE1 TYR A 90 -6.253 -3.146 -5.189 1.00 0.00 C ATOM 1356 CE2 TYR A 90 -6.874 -0.912 -4.596 1.00 0.00 C ATOM 1357 CZ TYR A 90 -6.569 -1.855 -5.556 1.00 0.00 C ATOM 1358 OH TYR A 90 -6.577 -1.504 -6.887 1.00 0.00 O ATOM 0 H TYR A 90 -4.034 -1.590 -1.962 1.00 0.00 H new ATOM 0 HA TYR A 90 -5.246 -2.999 0.313 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -6.947 -3.952 -1.299 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -7.200 -2.276 -0.855 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -6.000 -4.507 -3.568 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -7.099 -0.527 -2.513 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -6.012 -3.881 -5.943 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -7.121 0.099 -4.886 1.00 0.00 H new ATOM 0 HH TYR A 90 -6.821 -0.559 -6.975 1.00 0.00 H new ATOM 1368 N VAL A 91 -4.758 -5.288 -0.989 1.00 0.00 N ATOM 1369 CA VAL A 91 -4.050 -6.488 -1.420 1.00 0.00 C ATOM 1370 C VAL A 91 -4.829 -7.226 -2.503 1.00 0.00 C ATOM 1371 O VAL A 91 -5.870 -7.825 -2.234 1.00 0.00 O ATOM 1372 CB VAL A 91 -3.799 -7.445 -0.240 1.00 0.00 C ATOM 1373 CG1 VAL A 91 -3.027 -8.672 -0.702 1.00 0.00 C ATOM 1374 CG2 VAL A 91 -3.057 -6.728 0.878 1.00 0.00 C ATOM 0 H VAL A 91 -5.609 -5.469 -0.457 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.091 -6.163 -1.824 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.762 -7.776 0.148 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.859 -9.337 0.145 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.601 -9.196 -1.466 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.067 -8.363 -1.117 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.888 -7.419 1.704 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.099 -6.367 0.505 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.652 -5.884 1.227 1.00 0.00 H new ATOM 1384 N SER A 92 -4.316 -7.180 -3.728 1.00 0.00 N ATOM 1385 CA SER A 92 -4.965 -7.843 -4.854 1.00 0.00 C ATOM 1386 C SER A 92 -4.517 -9.297 -4.960 1.00 0.00 C ATOM 1387 O SER A 92 -3.356 -9.581 -5.250 1.00 0.00 O ATOM 1388 CB SER A 92 -4.653 -7.105 -6.157 1.00 0.00 C ATOM 1389 OG SER A 92 -5.580 -6.057 -6.385 1.00 0.00 O ATOM 0 H SER A 92 -3.453 -6.691 -3.967 1.00 0.00 H new ATOM 0 HA SER A 92 -6.041 -7.824 -4.683 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.643 -6.698 -6.115 1.00 0.00 H new ATOM 0 HB3 SER A 92 -4.680 -7.806 -6.991 1.00 0.00 H new ATOM 0 HG SER A 92 -5.358 -5.600 -7.223 1.00 0.00 H new ATOM 1395 N ASN A 93 -5.448 -10.216 -4.721 1.00 0.00 N ATOM 1396 CA ASN A 93 -5.150 -11.642 -4.789 1.00 0.00 C ATOM 1397 C ASN A 93 -6.202 -12.378 -5.613 1.00 0.00 C ATOM 1398 O ASN A 93 -7.300 -12.656 -5.132 1.00 0.00 O ATOM 1399 CB ASN A 93 -5.080 -12.237 -3.381 1.00 0.00 C ATOM 1400 CG ASN A 93 -3.995 -11.597 -2.537 1.00 0.00 C ATOM 1401 OD1 ASN A 93 -3.037 -11.030 -3.062 1.00 0.00 O ATOM 1402 ND2 ASN A 93 -4.141 -11.686 -1.220 1.00 0.00 N ATOM 0 H ASN A 93 -6.415 -9.998 -4.479 1.00 0.00 H new ATOM 0 HA ASN A 93 -4.182 -11.764 -5.276 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -6.043 -12.110 -2.887 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -4.897 -13.309 -3.451 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -3.443 -11.275 -0.601 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -4.951 -12.166 -0.828 1.00 0.00 H new ATOM 1409 N GLY A 94 -5.857 -12.693 -6.858 1.00 0.00 N ATOM 1410 CA GLY A 94 -6.782 -13.395 -7.729 1.00 0.00 C ATOM 1411 C GLY A 94 -7.504 -12.462 -8.680 1.00 0.00 C ATOM 1412 O GLY A 94 -6.873 -11.701 -9.413 1.00 0.00 O ATOM 0 H GLY A 94 -4.954 -12.475 -7.279 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -6.238 -14.144 -8.304 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -7.514 -13.928 -7.122 1.00 0.00 H new ATOM 1416 N ARG A 95 -8.832 -12.522 -8.670 1.00 0.00 N ATOM 1417 CA ARG A 95 -9.641 -11.677 -9.541 1.00 0.00 C ATOM 1418 C ARG A 95 -10.711 -10.939 -8.742 1.00 0.00 C ATOM 1419 O ARG A 95 -10.779 -9.710 -8.763 1.00 0.00 O ATOM 1420 CB ARG A 95 -10.298 -12.519 -10.636 1.00 0.00 C ATOM 1421 CG ARG A 95 -9.302 -13.242 -11.529 1.00 0.00 C ATOM 1422 CD ARG A 95 -10.005 -14.044 -12.612 1.00 0.00 C ATOM 1423 NE ARG A 95 -10.393 -13.210 -13.747 1.00 0.00 N ATOM 1424 CZ ARG A 95 -10.642 -13.689 -14.960 1.00 0.00 C ATOM 1425 NH1 ARG A 95 -10.545 -14.990 -15.196 1.00 0.00 N ATOM 1426 NH2 ARG A 95 -10.990 -12.866 -15.941 1.00 0.00 N ATOM 0 H ARG A 95 -9.370 -13.146 -8.069 1.00 0.00 H new ATOM 0 HA ARG A 95 -8.984 -10.940 -10.003 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -10.957 -13.253 -10.172 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -10.924 -11.874 -11.252 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -8.631 -12.517 -11.989 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -8.686 -13.907 -10.924 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -9.347 -14.842 -12.957 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -10.891 -14.520 -12.193 1.00 0.00 H new ATOM 0 HE ARG A 95 -10.477 -12.204 -13.599 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -10.278 -15.626 -14.445 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -10.737 -15.355 -16.129 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -11.066 -11.864 -15.764 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -11.181 -13.235 -16.873 1.00 0.00 H new ATOM 1440 N ARG A 96 -11.545 -11.698 -8.037 1.00 0.00 N ATOM 1441 CA ARG A 96 -12.612 -11.116 -7.233 1.00 0.00 C ATOM 1442 C ARG A 96 -12.209 -11.048 -5.763 1.00 0.00 C ATOM 1443 O ARG A 96 -12.752 -10.253 -4.995 1.00 0.00 O ATOM 1444 CB ARG A 96 -13.896 -11.933 -7.383 1.00 0.00 C ATOM 1445 CG ARG A 96 -13.862 -13.263 -6.648 1.00 0.00 C ATOM 1446 CD ARG A 96 -13.417 -14.394 -7.562 1.00 0.00 C ATOM 1447 NE ARG A 96 -14.130 -14.380 -8.837 1.00 0.00 N ATOM 1448 CZ ARG A 96 -15.358 -14.861 -8.998 1.00 0.00 C ATOM 1449 NH1 ARG A 96 -16.006 -15.390 -7.969 1.00 0.00 N ATOM 1450 NH2 ARG A 96 -15.940 -14.812 -10.189 1.00 0.00 N ATOM 0 H ARG A 96 -11.502 -12.717 -8.007 1.00 0.00 H new ATOM 0 HA ARG A 96 -12.791 -10.102 -7.591 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -14.736 -11.345 -7.013 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -14.077 -12.117 -8.442 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -13.184 -13.193 -5.798 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -14.852 -13.485 -6.249 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -12.346 -14.312 -7.745 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -13.583 -15.349 -7.064 1.00 0.00 H new ATOM 0 HE ARG A 96 -13.659 -13.979 -9.648 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -15.562 -15.428 -7.052 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -16.949 -15.759 -8.095 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -15.445 -14.405 -10.982 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -16.883 -15.182 -10.312 1.00 0.00 H new ATOM 1464 N LYS A 97 -11.255 -11.888 -5.377 1.00 0.00 N ATOM 1465 CA LYS A 97 -10.777 -11.924 -3.999 1.00 0.00 C ATOM 1466 C LYS A 97 -9.850 -10.747 -3.714 1.00 0.00 C ATOM 1467 O LYS A 97 -8.770 -10.640 -4.296 1.00 0.00 O ATOM 1468 CB LYS A 97 -10.047 -13.240 -3.725 1.00 0.00 C ATOM 1469 CG LYS A 97 -10.956 -14.457 -3.751 1.00 0.00 C ATOM 1470 CD LYS A 97 -10.158 -15.750 -3.761 1.00 0.00 C ATOM 1471 CE LYS A 97 -11.064 -16.965 -3.633 1.00 0.00 C ATOM 1472 NZ LYS A 97 -11.512 -17.177 -2.229 1.00 0.00 N ATOM 0 H LYS A 97 -10.797 -12.554 -5.999 1.00 0.00 H new ATOM 0 HA LYS A 97 -11.641 -11.851 -3.339 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -9.259 -13.370 -4.467 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -9.561 -13.180 -2.751 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -11.612 -14.440 -2.881 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -11.595 -14.416 -4.633 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -9.585 -15.818 -4.686 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -9.440 -15.742 -2.941 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -11.934 -16.838 -4.277 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -10.535 -17.851 -3.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -12.127 -18.014 -2.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -10.683 -17.323 -1.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -12.039 -16.342 -1.903 1.00 0.00 H new ATOM 1486 N ARG A 98 -10.277 -9.867 -2.815 1.00 0.00 N ATOM 1487 CA ARG A 98 -9.484 -8.698 -2.452 1.00 0.00 C ATOM 1488 C ARG A 98 -9.723 -8.310 -0.996 1.00 0.00 C ATOM 1489 O ARG A 98 -10.554 -8.906 -0.312 1.00 0.00 O ATOM 1490 CB ARG A 98 -9.825 -7.521 -3.368 1.00 0.00 C ATOM 1491 CG ARG A 98 -9.010 -7.491 -4.650 1.00 0.00 C ATOM 1492 CD ARG A 98 -9.580 -6.498 -5.650 1.00 0.00 C ATOM 1493 NE ARG A 98 -9.237 -6.847 -7.026 1.00 0.00 N ATOM 1494 CZ ARG A 98 -9.887 -6.381 -8.087 1.00 0.00 C ATOM 1495 NH1 ARG A 98 -10.909 -5.552 -7.930 1.00 0.00 N ATOM 1496 NH2 ARG A 98 -9.515 -6.745 -9.307 1.00 0.00 N ATOM 0 H ARG A 98 -11.168 -9.941 -2.324 1.00 0.00 H new ATOM 0 HA ARG A 98 -8.431 -8.951 -2.574 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -10.884 -7.564 -3.622 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -9.665 -6.590 -2.824 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -7.978 -7.226 -4.420 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -8.992 -8.486 -5.094 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -10.664 -6.460 -5.545 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -9.203 -5.500 -5.425 1.00 0.00 H new ATOM 0 HE ARG A 98 -8.455 -7.484 -7.181 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -11.198 -5.270 -6.993 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -11.407 -5.196 -8.746 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -8.729 -7.383 -9.431 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -10.015 -6.387 -10.121 1.00 0.00 H new ATOM 1510 N SER A 99 -8.987 -7.306 -0.529 1.00 0.00 N ATOM 1511 CA SER A 99 -9.115 -6.841 0.847 1.00 0.00 C ATOM 1512 C SER A 99 -9.576 -5.387 0.888 1.00 0.00 C ATOM 1513 O SER A 99 -9.422 -4.633 -0.073 1.00 0.00 O ATOM 1514 CB SER A 99 -7.782 -6.986 1.583 1.00 0.00 C ATOM 1515 OG SER A 99 -6.692 -6.681 0.730 1.00 0.00 O ATOM 0 H SER A 99 -8.296 -6.800 -1.083 1.00 0.00 H new ATOM 0 HA SER A 99 -9.865 -7.456 1.344 1.00 0.00 H new ATOM 0 HB2 SER A 99 -7.767 -6.323 2.448 1.00 0.00 H new ATOM 0 HB3 SER A 99 -7.680 -8.004 1.959 1.00 0.00 H new ATOM 0 HG SER A 99 -5.992 -6.227 1.244 1.00 0.00 H new ATOM 1521 N PRO A 100 -10.154 -4.982 2.029 1.00 0.00 N ATOM 1522 CA PRO A 100 -10.649 -3.616 2.224 1.00 0.00 C ATOM 1523 C PRO A 100 -9.518 -2.598 2.322 1.00 0.00 C ATOM 1524 O PRO A 100 -8.580 -2.769 3.102 1.00 0.00 O ATOM 1525 CB PRO A 100 -11.409 -3.701 3.550 1.00 0.00 C ATOM 1526 CG PRO A 100 -10.783 -4.842 4.274 1.00 0.00 C ATOM 1527 CD PRO A 100 -10.370 -5.827 3.215 1.00 0.00 C ATOM 0 HA PRO A 100 -11.261 -3.280 1.387 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -11.319 -2.775 4.118 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -12.473 -3.872 3.386 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -9.923 -4.511 4.856 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -11.486 -5.293 4.974 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -9.464 -6.363 3.497 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -11.142 -6.576 3.040 1.00 0.00 H new ATOM 1535 N THR A 101 -9.612 -1.537 1.527 1.00 0.00 N ATOM 1536 CA THR A 101 -8.596 -0.492 1.523 1.00 0.00 C ATOM 1537 C THR A 101 -8.353 0.043 2.930 1.00 0.00 C ATOM 1538 O THR A 101 -9.233 -0.022 3.788 1.00 0.00 O ATOM 1539 CB THR A 101 -8.996 0.677 0.604 1.00 0.00 C ATOM 1540 OG1 THR A 101 -10.295 1.160 0.962 1.00 0.00 O ATOM 1541 CG2 THR A 101 -8.995 0.243 -0.854 1.00 0.00 C ATOM 0 H THR A 101 -10.382 -1.379 0.877 1.00 0.00 H new ATOM 0 HA THR A 101 -7.679 -0.944 1.145 1.00 0.00 H new ATOM 0 HB THR A 101 -8.265 1.476 0.730 1.00 0.00 H new ATOM 0 HG1 THR A 101 -10.541 1.904 0.374 1.00 0.00 H new ATOM 0 HG21 THR A 101 -9.281 1.085 -1.484 1.00 0.00 H new ATOM 0 HG22 THR A 101 -7.997 -0.096 -1.132 1.00 0.00 H new ATOM 0 HG23 THR A 101 -9.707 -0.571 -0.992 1.00 0.00 H new ATOM 1549 N GLN A 102 -7.155 0.571 3.159 1.00 0.00 N ATOM 1550 CA GLN A 102 -6.798 1.117 4.463 1.00 0.00 C ATOM 1551 C GLN A 102 -6.426 2.592 4.352 1.00 0.00 C ATOM 1552 O GLN A 102 -5.601 2.974 3.522 1.00 0.00 O ATOM 1553 CB GLN A 102 -5.634 0.330 5.068 1.00 0.00 C ATOM 1554 CG GLN A 102 -6.009 -1.082 5.489 1.00 0.00 C ATOM 1555 CD GLN A 102 -7.280 -1.126 6.314 1.00 0.00 C ATOM 1556 OE1 GLN A 102 -7.280 -0.776 7.495 1.00 0.00 O ATOM 1557 NE2 GLN A 102 -8.372 -1.559 5.695 1.00 0.00 N ATOM 0 H GLN A 102 -6.416 0.632 2.459 1.00 0.00 H new ATOM 0 HA GLN A 102 -7.666 1.028 5.116 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -4.823 0.280 4.341 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -5.253 0.870 5.935 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -6.135 -1.701 4.601 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -5.191 -1.515 6.065 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -8.326 -1.839 4.715 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -9.257 -1.612 6.199 1.00 0.00 H new ATOM 1566 N SER A 103 -7.041 3.417 5.193 1.00 0.00 N ATOM 1567 CA SER A 103 -6.778 4.852 5.187 1.00 0.00 C ATOM 1568 C SER A 103 -5.304 5.135 5.459 1.00 0.00 C ATOM 1569 O SER A 103 -4.776 4.777 6.512 1.00 0.00 O ATOM 1570 CB SER A 103 -7.646 5.555 6.232 1.00 0.00 C ATOM 1571 OG SER A 103 -8.959 5.022 6.248 1.00 0.00 O ATOM 0 H SER A 103 -7.725 3.117 5.887 1.00 0.00 H new ATOM 0 HA SER A 103 -7.028 5.238 4.199 1.00 0.00 H new ATOM 0 HB2 SER A 103 -7.194 5.445 7.218 1.00 0.00 H new ATOM 0 HB3 SER A 103 -7.686 6.623 6.017 1.00 0.00 H new ATOM 0 HG SER A 103 -9.493 5.487 6.926 1.00 0.00 H new ATOM 1577 N PHE A 104 -4.645 5.779 4.502 1.00 0.00 N ATOM 1578 CA PHE A 104 -3.232 6.110 4.636 1.00 0.00 C ATOM 1579 C PHE A 104 -2.974 7.564 4.249 1.00 0.00 C ATOM 1580 O PHE A 104 -3.839 8.228 3.678 1.00 0.00 O ATOM 1581 CB PHE A 104 -2.383 5.181 3.765 1.00 0.00 C ATOM 1582 CG PHE A 104 -0.946 5.104 4.194 1.00 0.00 C ATOM 1583 CD1 PHE A 104 -0.581 4.367 5.309 1.00 0.00 C ATOM 1584 CD2 PHE A 104 0.040 5.768 3.483 1.00 0.00 C ATOM 1585 CE1 PHE A 104 0.741 4.295 5.707 1.00 0.00 C ATOM 1586 CE2 PHE A 104 1.364 5.700 3.875 1.00 0.00 C ATOM 1587 CZ PHE A 104 1.714 4.961 4.988 1.00 0.00 C ATOM 0 H PHE A 104 -5.067 6.082 3.625 1.00 0.00 H new ATOM 0 HA PHE A 104 -2.951 5.975 5.681 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -2.815 4.180 3.787 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -2.427 5.524 2.731 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -1.338 3.843 5.874 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -0.229 6.346 2.611 1.00 0.00 H new ATOM 0 HE1 PHE A 104 1.012 3.719 6.579 1.00 0.00 H new ATOM 0 HE2 PHE A 104 2.123 6.223 3.312 1.00 0.00 H new ATOM 0 HZ PHE A 104 2.748 4.904 5.296 1.00 0.00 H new ATOM 1597 N ARG A 105 -1.779 8.051 4.566 1.00 0.00 N ATOM 1598 CA ARG A 105 -1.408 9.426 4.254 1.00 0.00 C ATOM 1599 C ARG A 105 0.107 9.564 4.125 1.00 0.00 C ATOM 1600 O ARG A 105 0.857 9.131 5.000 1.00 0.00 O ATOM 1601 CB ARG A 105 -1.927 10.375 5.336 1.00 0.00 C ATOM 1602 CG ARG A 105 -1.654 11.841 5.041 1.00 0.00 C ATOM 1603 CD ARG A 105 -1.930 12.714 6.256 1.00 0.00 C ATOM 1604 NE ARG A 105 -3.358 12.815 6.544 1.00 0.00 N ATOM 1605 CZ ARG A 105 -3.884 13.740 7.339 1.00 0.00 C ATOM 1606 NH1 ARG A 105 -3.103 14.640 7.921 1.00 0.00 N ATOM 1607 NH2 ARG A 105 -5.193 13.767 7.553 1.00 0.00 N ATOM 0 H ARG A 105 -1.052 7.514 5.038 1.00 0.00 H new ATOM 0 HA ARG A 105 -1.863 9.691 3.300 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -3.001 10.230 5.450 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -1.467 10.113 6.289 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -0.616 11.964 4.731 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -2.276 12.168 4.208 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -1.414 12.302 7.123 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -1.523 13.711 6.086 1.00 0.00 H new ATOM 0 HE ARG A 105 -3.986 12.138 6.111 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -2.096 14.623 7.759 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -3.509 15.349 8.531 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -5.797 13.077 7.107 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -5.595 14.478 8.164 1.00 0.00 H new ATOM 1621 N PHE A 106 0.549 10.170 3.028 1.00 0.00 N ATOM 1622 CA PHE A 106 1.974 10.364 2.783 1.00 0.00 C ATOM 1623 C PHE A 106 2.418 11.753 3.232 1.00 0.00 C ATOM 1624 O PHE A 106 1.881 12.765 2.781 1.00 0.00 O ATOM 1625 CB PHE A 106 2.289 10.170 1.299 1.00 0.00 C ATOM 1626 CG PHE A 106 2.145 8.749 0.836 1.00 0.00 C ATOM 1627 CD1 PHE A 106 2.855 7.731 1.453 1.00 0.00 C ATOM 1628 CD2 PHE A 106 1.302 8.430 -0.216 1.00 0.00 C ATOM 1629 CE1 PHE A 106 2.725 6.421 1.030 1.00 0.00 C ATOM 1630 CE2 PHE A 106 1.168 7.123 -0.643 1.00 0.00 C ATOM 1631 CZ PHE A 106 1.881 6.117 -0.020 1.00 0.00 C ATOM 0 H PHE A 106 -0.059 10.535 2.295 1.00 0.00 H new ATOM 0 HA PHE A 106 2.522 9.621 3.363 1.00 0.00 H new ATOM 0 HB2 PHE A 106 1.627 10.804 0.709 1.00 0.00 H new ATOM 0 HB3 PHE A 106 3.308 10.505 1.105 1.00 0.00 H new ATOM 0 HD1 PHE A 106 3.517 7.964 2.274 1.00 0.00 H new ATOM 0 HD2 PHE A 106 0.743 9.212 -0.708 1.00 0.00 H new ATOM 0 HE1 PHE A 106 3.283 5.637 1.520 1.00 0.00 H new ATOM 0 HE2 PHE A 106 0.506 6.888 -1.463 1.00 0.00 H new ATOM 0 HZ PHE A 106 1.779 5.095 -0.353 1.00 0.00 H new ATOM 1641 N LEU A 107 3.402 11.793 4.124 1.00 0.00 N ATOM 1642 CA LEU A 107 3.920 13.057 4.636 1.00 0.00 C ATOM 1643 C LEU A 107 5.098 13.542 3.798 1.00 0.00 C ATOM 1644 O LEU A 107 5.948 12.762 3.366 1.00 0.00 O ATOM 1645 CB LEU A 107 4.348 12.902 6.096 1.00 0.00 C ATOM 1646 CG LEU A 107 3.339 12.223 7.023 1.00 0.00 C ATOM 1647 CD1 LEU A 107 4.028 11.709 8.278 1.00 0.00 C ATOM 1648 CD2 LEU A 107 2.216 13.185 7.385 1.00 0.00 C ATOM 0 H LEU A 107 3.857 10.965 4.508 1.00 0.00 H new ATOM 0 HA LEU A 107 3.124 13.799 4.574 1.00 0.00 H new ATOM 0 HB2 LEU A 107 5.277 12.332 6.123 1.00 0.00 H new ATOM 0 HB3 LEU A 107 4.570 13.892 6.496 1.00 0.00 H new ATOM 0 HG LEU A 107 2.907 11.372 6.497 1.00 0.00 H new ATOM 0 HD11 LEU A 107 3.294 11.229 8.925 1.00 0.00 H new ATOM 0 HD12 LEU A 107 4.796 10.986 8.002 1.00 0.00 H new ATOM 0 HD13 LEU A 107 4.489 12.543 8.808 1.00 0.00 H new ATOM 0 HD21 LEU A 107 1.507 12.685 8.045 1.00 0.00 H new ATOM 0 HD22 LEU A 107 2.632 14.056 7.892 1.00 0.00 H new ATOM 0 HD23 LEU A 107 1.704 13.504 6.477 1.00 0.00 H new ATOM 1660 N PRO A 108 5.154 14.861 3.562 1.00 0.00 N ATOM 1661 CA PRO A 108 6.225 15.480 2.776 1.00 0.00 C ATOM 1662 C PRO A 108 7.566 15.454 3.502 1.00 0.00 C ATOM 1663 O PRO A 108 7.618 15.466 4.732 1.00 0.00 O ATOM 1664 CB PRO A 108 5.744 16.922 2.594 1.00 0.00 C ATOM 1665 CG PRO A 108 4.838 17.168 3.750 1.00 0.00 C ATOM 1666 CD PRO A 108 4.176 15.850 4.045 1.00 0.00 C ATOM 0 HA PRO A 108 6.399 14.953 1.838 1.00 0.00 H new ATOM 0 HB2 PRO A 108 6.580 17.621 2.591 1.00 0.00 H new ATOM 0 HB3 PRO A 108 5.220 17.048 1.647 1.00 0.00 H new ATOM 0 HG2 PRO A 108 5.397 17.526 4.615 1.00 0.00 H new ATOM 0 HG3 PRO A 108 4.098 17.931 3.510 1.00 0.00 H new ATOM 0 HD2 PRO A 108 3.976 15.730 5.110 1.00 0.00 H new ATOM 0 HD3 PRO A 108 3.221 15.756 3.529 1.00 0.00 H new ATOM 1674 N VAL A 109 8.650 15.418 2.733 1.00 0.00 N ATOM 1675 CA VAL A 109 9.991 15.392 3.303 1.00 0.00 C ATOM 1676 C VAL A 109 10.836 16.547 2.775 1.00 0.00 C ATOM 1677 O VAL A 109 11.751 17.019 3.450 1.00 0.00 O ATOM 1678 CB VAL A 109 10.707 14.064 2.994 1.00 0.00 C ATOM 1679 CG1 VAL A 109 10.021 12.909 3.707 1.00 0.00 C ATOM 1680 CG2 VAL A 109 10.754 13.821 1.493 1.00 0.00 C ATOM 0 H VAL A 109 8.625 15.406 1.713 1.00 0.00 H new ATOM 0 HA VAL A 109 9.877 15.492 4.382 1.00 0.00 H new ATOM 0 HB VAL A 109 11.731 14.130 3.361 1.00 0.00 H new ATOM 0 HG11 VAL A 109 10.541 11.979 3.477 1.00 0.00 H new ATOM 0 HG12 VAL A 109 10.044 13.081 4.783 1.00 0.00 H new ATOM 0 HG13 VAL A 109 8.986 12.838 3.373 1.00 0.00 H new ATOM 0 HG21 VAL A 109 11.263 12.878 1.293 1.00 0.00 H new ATOM 0 HG22 VAL A 109 9.738 13.775 1.100 1.00 0.00 H new ATOM 0 HG23 VAL A 109 11.294 14.635 1.009 1.00 0.00 H new