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 -40:sc= -1.11 USER MOD Set 1.2: A 93 ASN : amide:sc= -5.65! C(o=-6.8!,f=-16!) USER MOD Set 2.1: A 88 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 103 SER OG : rot -27:sc= 1.3 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 TYR OH : rot 73:sc= 0.236 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot -81:sc= 0.133 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -0:sc= 1.07 USER MOD Single : A 33 ASN : amide:sc= -0.146 K(o=-0.15,f=-3.3!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.0225 K(o=-0.022,f=-1.2) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.914 K(o=-0.91,f=-8.1!) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 64 SER OG : rot 99:sc= 1.12 USER MOD Single : A 65 ASN : amide:sc= -0.456 K(o=-0.46,f=-3.7!) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.182 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.684 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= -0.661 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -0.0557 K(o=-0.056,f=-1.6!) USER MOD Single : A 79 LYS NZ :NH3+ -119:sc= -1.65 (180deg=-5.38!) USER MOD Single : A 82 SER OG : rot -25:sc= 0.32 USER MOD Single : A 86 GLN : amide:sc= -5.35! C(o=-5.4!,f=-3.8!) USER MOD Single : A 90 TYR OH : rot 180:sc= -0.0439 USER MOD Single : A 92 SER OG : rot 86:sc= -0.769 USER MOD Single : A 97 LYS NZ :NH3+ -166:sc=-7.48e-05 (180deg=-0.115) USER MOD Single : A 99 SER OG : rot -63:sc= 0.428 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -0.0196 K(o=-0.02,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 -10.173 -15.576 2.849 1.00 0.00 N ATOM 67 CA LEU A 8 -10.024 -14.227 2.313 1.00 0.00 C ATOM 68 C LEU A 8 -8.949 -13.455 3.071 1.00 0.00 C ATOM 69 O LEU A 8 -8.661 -13.726 4.237 1.00 0.00 O ATOM 70 CB LEU A 8 -11.355 -13.477 2.390 1.00 0.00 C ATOM 71 CG LEU A 8 -12.462 -13.977 1.460 1.00 0.00 C ATOM 72 CD1 LEU A 8 -13.831 -13.668 2.046 1.00 0.00 C ATOM 73 CD2 LEU A 8 -12.318 -13.356 0.078 1.00 0.00 C ATOM 0 HA LEU A 8 -9.719 -14.309 1.270 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -11.719 -13.528 3.416 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -11.170 -12.426 2.170 1.00 0.00 H new ATOM 0 HG LEU A 8 -12.368 -15.058 1.362 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -14.606 -14.031 1.371 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -13.932 -14.161 3.013 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -13.937 -12.591 2.175 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -13.114 -13.723 -0.570 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -12.386 -12.271 0.158 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -11.351 -13.629 -0.344 1.00 0.00 H new ATOM 85 N PRO A 9 -8.341 -12.469 2.396 1.00 0.00 N ATOM 86 CA PRO A 9 -7.289 -11.636 2.987 1.00 0.00 C ATOM 87 C PRO A 9 -7.828 -10.700 4.063 1.00 0.00 C ATOM 88 O PRO A 9 -8.841 -10.030 3.865 1.00 0.00 O ATOM 89 CB PRO A 9 -6.761 -10.833 1.796 1.00 0.00 C ATOM 90 CG PRO A 9 -7.897 -10.790 0.834 1.00 0.00 C ATOM 91 CD PRO A 9 -8.633 -12.091 1.003 1.00 0.00 C ATOM 0 HA PRO A 9 -6.527 -12.235 3.486 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -6.460 -9.830 2.097 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -5.886 -11.310 1.354 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -8.551 -9.942 1.040 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -7.538 -10.675 -0.189 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -9.703 -11.972 0.835 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -8.282 -12.846 0.300 1.00 0.00 H new ATOM 99 N GLN A 10 -7.143 -10.658 5.202 1.00 0.00 N ATOM 100 CA GLN A 10 -7.555 -9.803 6.309 1.00 0.00 C ATOM 101 C GLN A 10 -6.418 -8.879 6.734 1.00 0.00 C ATOM 102 O GLN A 10 -5.244 -9.238 6.641 1.00 0.00 O ATOM 103 CB GLN A 10 -8.008 -10.654 7.497 1.00 0.00 C ATOM 104 CG GLN A 10 -8.340 -9.839 8.737 1.00 0.00 C ATOM 105 CD GLN A 10 -8.455 -10.695 9.983 1.00 0.00 C ATOM 106 OE1 GLN A 10 -7.469 -11.261 10.455 1.00 0.00 O ATOM 107 NE2 GLN A 10 -9.664 -10.794 10.524 1.00 0.00 N ATOM 0 H GLN A 10 -6.301 -11.205 5.382 1.00 0.00 H new ATOM 0 HA GLN A 10 -8.391 -9.190 5.971 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -8.885 -11.232 7.206 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -7.223 -11.369 7.742 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -7.568 -9.084 8.889 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -9.278 -9.308 8.578 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -10.454 -10.308 10.100 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -9.802 -11.356 11.364 1.00 0.00 H new ATOM 116 N VAL A 11 -6.775 -7.687 7.201 1.00 0.00 N ATOM 117 CA VAL A 11 -5.785 -6.711 7.642 1.00 0.00 C ATOM 118 C VAL A 11 -6.125 -6.171 9.027 1.00 0.00 C ATOM 119 O VAL A 11 -6.861 -5.195 9.160 1.00 0.00 O ATOM 120 CB VAL A 11 -5.681 -5.533 6.656 1.00 0.00 C ATOM 121 CG1 VAL A 11 -4.702 -4.489 7.172 1.00 0.00 C ATOM 122 CG2 VAL A 11 -5.268 -6.027 5.278 1.00 0.00 C ATOM 0 H VAL A 11 -7.742 -7.374 7.284 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.826 -7.228 7.682 1.00 0.00 H new ATOM 0 HB VAL A 11 -6.662 -5.066 6.571 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.642 -3.664 6.462 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.045 -4.113 8.136 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -3.717 -4.940 7.288 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -5.199 -5.181 4.594 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.298 -6.520 5.344 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -6.010 -6.734 4.907 1.00 0.00 H new ATOM 132 N GLU A 12 -5.581 -6.814 10.056 1.00 0.00 N ATOM 133 CA GLU A 12 -5.827 -6.398 11.432 1.00 0.00 C ATOM 134 C GLU A 12 -5.161 -5.056 11.722 1.00 0.00 C ATOM 135 O GLU A 12 -5.813 -4.110 12.163 1.00 0.00 O ATOM 136 CB GLU A 12 -5.311 -7.457 12.408 1.00 0.00 C ATOM 137 CG GLU A 12 -6.084 -7.508 13.715 1.00 0.00 C ATOM 138 CD GLU A 12 -5.829 -8.784 14.495 1.00 0.00 C ATOM 139 OE1 GLU A 12 -6.317 -9.849 14.063 1.00 0.00 O ATOM 140 OE2 GLU A 12 -5.143 -8.717 15.536 1.00 0.00 O ATOM 0 H GLU A 12 -4.968 -7.624 9.963 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.903 -6.286 11.564 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.359 -8.435 11.929 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -4.261 -7.259 12.624 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.809 -6.650 14.329 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -7.150 -7.422 13.506 1.00 0.00 H new ATOM 147 N ALA A 13 -3.858 -4.982 11.471 1.00 0.00 N ATOM 148 CA ALA A 13 -3.104 -3.757 11.703 1.00 0.00 C ATOM 149 C ALA A 13 -2.028 -3.565 10.639 1.00 0.00 C ATOM 150 O ALA A 13 -1.760 -4.465 9.843 1.00 0.00 O ATOM 151 CB ALA A 13 -2.479 -3.776 13.090 1.00 0.00 C ATOM 0 H ALA A 13 -3.303 -5.756 11.107 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.796 -2.917 11.640 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -1.919 -2.855 13.249 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.264 -3.858 13.842 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.806 -4.629 13.174 1.00 0.00 H new ATOM 157 N TYR A 14 -1.415 -2.386 10.631 1.00 0.00 N ATOM 158 CA TYR A 14 -0.370 -2.075 9.662 1.00 0.00 C ATOM 159 C TYR A 14 0.522 -0.946 10.168 1.00 0.00 C ATOM 160 O TYR A 14 0.040 0.036 10.733 1.00 0.00 O ATOM 161 CB TYR A 14 -0.990 -1.688 8.319 1.00 0.00 C ATOM 162 CG TYR A 14 -1.884 -0.471 8.393 1.00 0.00 C ATOM 163 CD1 TYR A 14 -1.349 0.800 8.566 1.00 0.00 C ATOM 164 CD2 TYR A 14 -3.265 -0.591 8.291 1.00 0.00 C ATOM 165 CE1 TYR A 14 -2.161 1.915 8.635 1.00 0.00 C ATOM 166 CE2 TYR A 14 -4.085 0.518 8.357 1.00 0.00 C ATOM 167 CZ TYR A 14 -3.529 1.769 8.530 1.00 0.00 C ATOM 168 OH TYR A 14 -4.343 2.876 8.598 1.00 0.00 O ATOM 0 H TYR A 14 -1.623 -1.631 11.284 1.00 0.00 H new ATOM 0 HA TYR A 14 0.243 -2.966 9.528 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.192 -1.499 7.601 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -1.568 -2.530 7.939 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -0.279 0.918 8.648 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -3.704 -1.569 8.158 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.728 2.895 8.770 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -5.156 0.407 8.274 1.00 0.00 H new ATOM 0 HH TYR A 14 -4.263 3.392 7.769 1.00 0.00 H new ATOM 178 N SER A 15 1.827 -1.093 9.960 1.00 0.00 N ATOM 179 CA SER A 15 2.789 -0.088 10.396 1.00 0.00 C ATOM 180 C SER A 15 3.983 -0.030 9.448 1.00 0.00 C ATOM 181 O SER A 15 4.376 -1.028 8.844 1.00 0.00 O ATOM 182 CB SER A 15 3.266 -0.392 11.818 1.00 0.00 C ATOM 183 OG SER A 15 3.698 -1.736 11.934 1.00 0.00 O ATOM 0 H SER A 15 2.242 -1.899 9.492 1.00 0.00 H new ATOM 0 HA SER A 15 2.293 0.883 10.386 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.082 0.280 12.083 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.457 -0.204 12.524 1.00 0.00 H new ATOM 0 HG SER A 15 3.999 -1.905 12.851 1.00 0.00 H new ATOM 189 N PRO A 16 4.574 1.166 9.314 1.00 0.00 N ATOM 190 CA PRO A 16 4.114 2.361 10.028 1.00 0.00 C ATOM 191 C PRO A 16 2.767 2.859 9.516 1.00 0.00 C ATOM 192 O PRO A 16 2.460 2.740 8.330 1.00 0.00 O ATOM 193 CB PRO A 16 5.209 3.390 9.741 1.00 0.00 C ATOM 194 CG PRO A 16 5.817 2.947 8.455 1.00 0.00 C ATOM 195 CD PRO A 16 5.736 1.445 8.455 1.00 0.00 C ATOM 0 HA PRO A 16 3.961 2.167 11.090 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.796 4.395 9.658 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.949 3.415 10.541 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.280 3.367 7.604 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.851 3.282 8.376 1.00 0.00 H new ATOM 0 HD2 PRO A 16 5.596 1.050 7.449 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.646 0.994 8.851 1.00 0.00 H new ATOM 203 N SER A 17 1.966 3.418 10.418 1.00 0.00 N ATOM 204 CA SER A 17 0.650 3.932 10.058 1.00 0.00 C ATOM 205 C SER A 17 0.764 5.020 8.995 1.00 0.00 C ATOM 206 O SER A 17 -0.165 5.246 8.219 1.00 0.00 O ATOM 207 CB SER A 17 -0.062 4.484 11.294 1.00 0.00 C ATOM 208 OG SER A 17 -0.435 3.439 12.177 1.00 0.00 O ATOM 0 H SER A 17 2.206 3.526 11.403 1.00 0.00 H new ATOM 0 HA SER A 17 0.065 3.108 9.649 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.592 5.186 11.812 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.948 5.040 10.989 1.00 0.00 H new ATOM 0 HG SER A 17 -0.887 3.818 12.960 1.00 0.00 H new ATOM 214 N ALA A 18 1.910 5.693 8.966 1.00 0.00 N ATOM 215 CA ALA A 18 2.148 6.756 7.998 1.00 0.00 C ATOM 216 C ALA A 18 3.618 6.816 7.598 1.00 0.00 C ATOM 217 O ALA A 18 4.497 6.427 8.368 1.00 0.00 O ATOM 218 CB ALA A 18 1.698 8.095 8.563 1.00 0.00 C ATOM 0 H ALA A 18 2.688 5.520 9.602 1.00 0.00 H new ATOM 0 HA ALA A 18 1.564 6.536 7.104 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.882 8.880 7.829 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.633 8.054 8.792 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.256 8.312 9.474 1.00 0.00 H new ATOM 224 N CYS A 19 3.878 7.303 6.390 1.00 0.00 N ATOM 225 CA CYS A 19 5.243 7.412 5.887 1.00 0.00 C ATOM 226 C CYS A 19 5.392 8.627 4.978 1.00 0.00 C ATOM 227 O CYS A 19 4.414 9.308 4.669 1.00 0.00 O ATOM 228 CB CYS A 19 5.632 6.142 5.129 1.00 0.00 C ATOM 229 SG CYS A 19 7.411 5.824 5.084 1.00 0.00 S ATOM 0 H CYS A 19 3.162 7.629 5.741 1.00 0.00 H new ATOM 0 HA CYS A 19 5.910 7.536 6.740 1.00 0.00 H new ATOM 0 HB2 CYS A 19 5.133 5.290 5.590 1.00 0.00 H new ATOM 0 HB3 CYS A 19 5.261 6.214 4.107 1.00 0.00 H new ATOM 0 HG CYS A 19 7.957 6.544 4.149 1.00 0.00 H new ATOM 235 N SER A 20 6.624 8.896 4.555 1.00 0.00 N ATOM 236 CA SER A 20 6.902 10.033 3.686 1.00 0.00 C ATOM 237 C SER A 20 6.548 9.710 2.238 1.00 0.00 C ATOM 238 O SER A 20 6.444 8.544 1.857 1.00 0.00 O ATOM 239 CB SER A 20 8.377 10.429 3.786 1.00 0.00 C ATOM 240 OG SER A 20 8.682 10.939 5.072 1.00 0.00 O ATOM 0 H SER A 20 7.445 8.342 4.800 1.00 0.00 H new ATOM 0 HA SER A 20 6.285 10.869 4.014 1.00 0.00 H new ATOM 0 HB2 SER A 20 9.004 9.563 3.577 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.607 11.179 3.030 1.00 0.00 H new ATOM 0 HG SER A 20 9.630 11.183 5.111 1.00 0.00 H new ATOM 246 N VAL A 21 6.363 10.752 1.433 1.00 0.00 N ATOM 247 CA VAL A 21 6.021 10.581 0.026 1.00 0.00 C ATOM 248 C VAL A 21 7.124 9.839 -0.721 1.00 0.00 C ATOM 249 O VAL A 21 6.926 9.382 -1.847 1.00 0.00 O ATOM 250 CB VAL A 21 5.774 11.937 -0.660 1.00 0.00 C ATOM 251 CG1 VAL A 21 4.462 12.544 -0.187 1.00 0.00 C ATOM 252 CG2 VAL A 21 6.935 12.885 -0.400 1.00 0.00 C ATOM 0 H VAL A 21 6.444 11.724 1.732 1.00 0.00 H new ATOM 0 HA VAL A 21 5.104 9.993 -0.008 1.00 0.00 H new ATOM 0 HB VAL A 21 5.703 11.773 -1.735 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.305 13.502 -0.683 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.641 11.870 -0.431 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.499 12.696 0.892 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.743 13.838 -0.892 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.041 13.045 0.673 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.854 12.451 -0.794 1.00 0.00 H new ATOM 262 N ARG A 22 8.286 9.722 -0.086 1.00 0.00 N ATOM 263 CA ARG A 22 9.421 9.036 -0.691 1.00 0.00 C ATOM 264 C ARG A 22 9.533 7.606 -0.171 1.00 0.00 C ATOM 265 O ARG A 22 10.593 7.182 0.286 1.00 0.00 O ATOM 266 CB ARG A 22 10.717 9.797 -0.403 1.00 0.00 C ATOM 267 CG ARG A 22 11.068 9.864 1.074 1.00 0.00 C ATOM 268 CD ARG A 22 12.126 10.923 1.348 1.00 0.00 C ATOM 269 NE ARG A 22 13.476 10.424 1.101 1.00 0.00 N ATOM 270 CZ ARG A 22 14.094 9.553 1.892 1.00 0.00 C ATOM 271 NH1 ARG A 22 13.485 9.087 2.973 1.00 0.00 N ATOM 272 NH2 ARG A 22 15.323 9.147 1.600 1.00 0.00 N ATOM 0 H ARG A 22 8.466 10.093 0.847 1.00 0.00 H new ATOM 0 HA ARG A 22 9.259 9.001 -1.768 1.00 0.00 H new ATOM 0 HB2 ARG A 22 11.536 9.320 -0.941 1.00 0.00 H new ATOM 0 HB3 ARG A 22 10.627 10.811 -0.793 1.00 0.00 H new ATOM 0 HG2 ARG A 22 10.171 10.086 1.653 1.00 0.00 H new ATOM 0 HG3 ARG A 22 11.430 8.892 1.408 1.00 0.00 H new ATOM 0 HD2 ARG A 22 11.940 11.793 0.718 1.00 0.00 H new ATOM 0 HD3 ARG A 22 12.046 11.256 2.383 1.00 0.00 H new ATOM 0 HE ARG A 22 13.972 10.762 0.276 1.00 0.00 H new ATOM 0 HH11 ARG A 22 12.540 9.397 3.199 1.00 0.00 H new ATOM 0 HH12 ARG A 22 13.961 8.419 3.579 1.00 0.00 H new ATOM 0 HH21 ARG A 22 15.794 9.503 0.768 1.00 0.00 H new ATOM 0 HH22 ARG A 22 15.797 8.479 2.207 1.00 0.00 H new ATOM 286 N GLY A 23 8.429 6.868 -0.244 1.00 0.00 N ATOM 287 CA GLY A 23 8.424 5.494 0.224 1.00 0.00 C ATOM 288 C GLY A 23 9.749 4.796 -0.012 1.00 0.00 C ATOM 289 O GLY A 23 10.222 4.714 -1.144 1.00 0.00 O ATOM 0 H GLY A 23 7.539 7.197 -0.618 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.193 5.477 1.289 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.632 4.944 -0.283 1.00 0.00 H new ATOM 293 N GLY A 24 10.350 4.293 1.062 1.00 0.00 N ATOM 294 CA GLY A 24 11.624 3.607 0.946 1.00 0.00 C ATOM 295 C GLY A 24 11.919 2.726 2.143 1.00 0.00 C ATOM 296 O GLY A 24 13.065 2.339 2.369 1.00 0.00 O ATOM 0 H GLY A 24 9.978 4.348 2.010 1.00 0.00 H new ATOM 0 HA2 GLY A 24 11.624 2.998 0.042 1.00 0.00 H new ATOM 0 HA3 GLY A 24 12.421 4.343 0.835 1.00 0.00 H new ATOM 300 N GLU A 25 10.882 2.409 2.913 1.00 0.00 N ATOM 301 CA GLU A 25 11.038 1.569 4.095 1.00 0.00 C ATOM 302 C GLU A 25 10.111 0.359 4.028 1.00 0.00 C ATOM 303 O GLU A 25 9.202 0.305 3.200 1.00 0.00 O ATOM 304 CB GLU A 25 10.750 2.376 5.362 1.00 0.00 C ATOM 305 CG GLU A 25 11.902 3.270 5.789 1.00 0.00 C ATOM 306 CD GLU A 25 12.913 2.544 6.656 1.00 0.00 C ATOM 307 OE1 GLU A 25 13.451 1.512 6.204 1.00 0.00 O ATOM 308 OE2 GLU A 25 13.166 3.010 7.787 1.00 0.00 O ATOM 0 H GLU A 25 9.926 2.721 2.740 1.00 0.00 H new ATOM 0 HA GLU A 25 12.068 1.215 4.125 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.865 2.991 5.198 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.514 1.689 6.175 1.00 0.00 H new ATOM 0 HG2 GLU A 25 12.402 3.660 4.903 1.00 0.00 H new ATOM 0 HG3 GLU A 25 11.509 4.127 6.336 1.00 0.00 H new ATOM 315 N GLU A 26 10.348 -0.611 4.906 1.00 0.00 N ATOM 316 CA GLU A 26 9.536 -1.821 4.946 1.00 0.00 C ATOM 317 C GLU A 26 8.207 -1.561 5.650 1.00 0.00 C ATOM 318 O GLU A 26 8.145 -0.814 6.628 1.00 0.00 O ATOM 319 CB GLU A 26 10.291 -2.946 5.657 1.00 0.00 C ATOM 320 CG GLU A 26 10.060 -2.979 7.159 1.00 0.00 C ATOM 321 CD GLU A 26 11.222 -3.596 7.914 1.00 0.00 C ATOM 322 OE1 GLU A 26 12.158 -2.853 8.274 1.00 0.00 O ATOM 323 OE2 GLU A 26 11.193 -4.823 8.144 1.00 0.00 O ATOM 0 H GLU A 26 11.096 -0.582 5.599 1.00 0.00 H new ATOM 0 HA GLU A 26 9.331 -2.124 3.919 1.00 0.00 H new ATOM 0 HB2 GLU A 26 9.988 -3.902 5.230 1.00 0.00 H new ATOM 0 HB3 GLU A 26 11.358 -2.835 5.464 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.895 -1.964 7.520 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.152 -3.544 7.371 1.00 0.00 H new ATOM 330 N LEU A 27 7.146 -2.182 5.146 1.00 0.00 N ATOM 331 CA LEU A 27 5.817 -2.019 5.726 1.00 0.00 C ATOM 332 C LEU A 27 5.209 -3.371 6.083 1.00 0.00 C ATOM 333 O LEU A 27 4.787 -4.125 5.205 1.00 0.00 O ATOM 334 CB LEU A 27 4.902 -1.276 4.750 1.00 0.00 C ATOM 335 CG LEU A 27 3.401 -1.400 5.012 1.00 0.00 C ATOM 336 CD1 LEU A 27 2.978 -0.475 6.143 1.00 0.00 C ATOM 337 CD2 LEU A 27 2.612 -1.094 3.747 1.00 0.00 C ATOM 0 H LEU A 27 7.180 -2.803 4.337 1.00 0.00 H new ATOM 0 HA LEU A 27 5.915 -1.434 6.640 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.168 -0.219 4.767 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.106 -1.640 3.743 1.00 0.00 H new ATOM 0 HG LEU A 27 3.187 -2.426 5.311 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.907 -0.577 6.315 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.518 -0.741 7.052 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.206 0.556 5.874 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.545 -1.187 3.952 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.831 -0.078 3.418 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.894 -1.797 2.963 1.00 0.00 H new ATOM 349 N VAL A 28 5.165 -3.671 7.377 1.00 0.00 N ATOM 350 CA VAL A 28 4.604 -4.931 7.850 1.00 0.00 C ATOM 351 C VAL A 28 3.098 -4.819 8.059 1.00 0.00 C ATOM 352 O VAL A 28 2.634 -4.077 8.925 1.00 0.00 O ATOM 353 CB VAL A 28 5.263 -5.377 9.170 1.00 0.00 C ATOM 354 CG1 VAL A 28 4.633 -6.668 9.671 1.00 0.00 C ATOM 355 CG2 VAL A 28 6.764 -5.542 8.986 1.00 0.00 C ATOM 0 H VAL A 28 5.511 -3.059 8.116 1.00 0.00 H new ATOM 0 HA VAL A 28 4.806 -5.676 7.081 1.00 0.00 H new ATOM 0 HB VAL A 28 5.095 -4.604 9.920 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.111 -6.968 10.604 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.568 -6.510 9.843 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.768 -7.452 8.926 1.00 0.00 H new ATOM 0 HG21 VAL A 28 7.214 -5.857 9.928 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.956 -6.295 8.222 1.00 0.00 H new ATOM 0 HG23 VAL A 28 7.199 -4.592 8.676 1.00 0.00 H new ATOM 365 N LEU A 29 2.339 -5.561 7.260 1.00 0.00 N ATOM 366 CA LEU A 29 0.884 -5.546 7.357 1.00 0.00 C ATOM 367 C LEU A 29 0.381 -6.726 8.184 1.00 0.00 C ATOM 368 O LEU A 29 0.504 -7.881 7.776 1.00 0.00 O ATOM 369 CB LEU A 29 0.260 -5.584 5.961 1.00 0.00 C ATOM 370 CG LEU A 29 0.698 -4.479 5.000 1.00 0.00 C ATOM 371 CD1 LEU A 29 0.646 -4.971 3.562 1.00 0.00 C ATOM 372 CD2 LEU A 29 -0.173 -3.244 5.175 1.00 0.00 C ATOM 0 H LEU A 29 2.707 -6.180 6.538 1.00 0.00 H new ATOM 0 HA LEU A 29 0.587 -4.624 7.856 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.494 -6.547 5.507 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.824 -5.537 6.068 1.00 0.00 H new ATOM 0 HG LEU A 29 1.728 -4.208 5.233 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.961 -4.171 2.892 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.313 -5.826 3.445 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.373 -5.270 3.316 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.153 -2.468 4.483 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.212 -3.500 4.970 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.085 -2.878 6.198 1.00 0.00 H new ATOM 384 N THR A 30 -0.188 -6.426 9.347 1.00 0.00 N ATOM 385 CA THR A 30 -0.711 -7.461 10.231 1.00 0.00 C ATOM 386 C THR A 30 -2.075 -7.950 9.758 1.00 0.00 C ATOM 387 O THR A 30 -2.941 -7.154 9.399 1.00 0.00 O ATOM 388 CB THR A 30 -0.835 -6.952 11.680 1.00 0.00 C ATOM 389 OG1 THR A 30 0.377 -6.300 12.075 1.00 0.00 O ATOM 390 CG2 THR A 30 -1.134 -8.100 12.632 1.00 0.00 C ATOM 0 H THR A 30 -0.299 -5.475 9.699 1.00 0.00 H new ATOM 0 HA THR A 30 -0.002 -8.288 10.204 1.00 0.00 H new ATOM 0 HB THR A 30 -1.660 -6.241 11.724 1.00 0.00 H new ATOM 0 HG1 THR A 30 0.290 -5.978 12.996 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.217 -7.717 13.649 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.072 -8.575 12.345 1.00 0.00 H new ATOM 0 HG23 THR A 30 -0.327 -8.831 12.585 1.00 0.00 H new ATOM 398 N GLY A 31 -2.259 -9.267 9.760 1.00 0.00 N ATOM 399 CA GLY A 31 -3.521 -9.840 9.329 1.00 0.00 C ATOM 400 C GLY A 31 -3.484 -11.355 9.283 1.00 0.00 C ATOM 401 O GLY A 31 -2.876 -11.994 10.141 1.00 0.00 O ATOM 0 H GLY A 31 -1.557 -9.947 10.052 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -4.312 -9.519 10.006 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.772 -9.456 8.341 1.00 0.00 H new ATOM 405 N SER A 32 -4.138 -11.930 8.279 1.00 0.00 N ATOM 406 CA SER A 32 -4.182 -13.380 8.126 1.00 0.00 C ATOM 407 C SER A 32 -4.672 -13.765 6.734 1.00 0.00 C ATOM 408 O SER A 32 -5.186 -12.929 5.991 1.00 0.00 O ATOM 409 CB SER A 32 -5.093 -13.998 9.189 1.00 0.00 C ATOM 410 OG SER A 32 -4.502 -13.922 10.474 1.00 0.00 O ATOM 0 H SER A 32 -4.645 -11.414 7.559 1.00 0.00 H new ATOM 0 HA SER A 32 -3.171 -13.765 8.255 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.052 -13.481 9.195 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.294 -15.040 8.939 1.00 0.00 H new ATOM 0 HG SER A 32 -3.624 -13.492 10.405 1.00 0.00 H new ATOM 416 N ASN A 33 -4.509 -15.038 6.387 1.00 0.00 N ATOM 417 CA ASN A 33 -4.934 -15.535 5.084 1.00 0.00 C ATOM 418 C ASN A 33 -4.155 -14.856 3.962 1.00 0.00 C ATOM 419 O ASN A 33 -4.722 -14.482 2.935 1.00 0.00 O ATOM 420 CB ASN A 33 -6.434 -15.304 4.890 1.00 0.00 C ATOM 421 CG ASN A 33 -7.269 -16.027 5.930 1.00 0.00 C ATOM 422 OD1 ASN A 33 -6.771 -16.399 6.993 1.00 0.00 O ATOM 423 ND2 ASN A 33 -8.546 -16.228 5.627 1.00 0.00 N ATOM 0 H ASN A 33 -4.086 -15.743 6.990 1.00 0.00 H new ATOM 0 HA ASN A 33 -4.731 -16.605 5.048 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -6.644 -14.235 4.938 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -6.725 -15.641 3.895 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -9.157 -16.708 6.287 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -8.916 -15.902 4.734 1.00 0.00 H new ATOM 430 N PHE A 34 -2.850 -14.700 4.165 1.00 0.00 N ATOM 431 CA PHE A 34 -1.992 -14.066 3.171 1.00 0.00 C ATOM 432 C PHE A 34 -1.315 -15.112 2.290 1.00 0.00 C ATOM 433 O PHE A 34 -0.930 -16.183 2.762 1.00 0.00 O ATOM 434 CB PHE A 34 -0.935 -13.199 3.858 1.00 0.00 C ATOM 435 CG PHE A 34 -1.504 -11.985 4.535 1.00 0.00 C ATOM 436 CD1 PHE A 34 -2.368 -11.139 3.859 1.00 0.00 C ATOM 437 CD2 PHE A 34 -1.174 -11.690 5.848 1.00 0.00 C ATOM 438 CE1 PHE A 34 -2.894 -10.021 4.480 1.00 0.00 C ATOM 439 CE2 PHE A 34 -1.696 -10.574 6.474 1.00 0.00 C ATOM 440 CZ PHE A 34 -2.556 -9.738 5.789 1.00 0.00 C ATOM 0 H PHE A 34 -2.364 -15.004 5.009 1.00 0.00 H new ATOM 0 HA PHE A 34 -2.616 -13.434 2.539 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -0.405 -13.802 4.596 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -0.200 -12.882 3.118 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.634 -11.355 2.835 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -0.501 -12.340 6.388 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -3.568 -9.370 3.942 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -1.432 -10.356 7.498 1.00 0.00 H new ATOM 0 HZ PHE A 34 -2.964 -8.864 6.276 1.00 0.00 H new ATOM 450 N LEU A 35 -1.172 -14.794 1.008 1.00 0.00 N ATOM 451 CA LEU A 35 -0.541 -15.706 0.060 1.00 0.00 C ATOM 452 C LEU A 35 0.797 -15.152 -0.420 1.00 0.00 C ATOM 453 O LEU A 35 1.003 -13.941 -0.498 1.00 0.00 O ATOM 454 CB LEU A 35 -1.464 -15.948 -1.136 1.00 0.00 C ATOM 455 CG LEU A 35 -2.731 -16.756 -0.853 1.00 0.00 C ATOM 456 CD1 LEU A 35 -3.840 -16.366 -1.818 1.00 0.00 C ATOM 457 CD2 LEU A 35 -2.443 -18.248 -0.943 1.00 0.00 C ATOM 0 H LEU A 35 -1.484 -13.912 0.601 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.360 -16.653 0.569 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.757 -14.981 -1.545 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.895 -16.462 -1.911 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.064 -16.531 0.160 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.734 -16.951 -1.601 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.065 -15.305 -1.705 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.518 -16.561 -2.841 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.356 -18.808 -0.739 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.085 -18.490 -1.944 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.681 -18.516 -0.211 1.00 0.00 H new ATOM 469 N PRO A 36 1.728 -16.059 -0.752 1.00 0.00 N ATOM 470 CA PRO A 36 3.061 -15.685 -1.233 1.00 0.00 C ATOM 471 C PRO A 36 3.022 -15.069 -2.628 1.00 0.00 C ATOM 472 O PRO A 36 4.053 -14.666 -3.167 1.00 0.00 O ATOM 473 CB PRO A 36 3.816 -17.016 -1.257 1.00 0.00 C ATOM 474 CG PRO A 36 2.755 -18.050 -1.411 1.00 0.00 C ATOM 475 CD PRO A 36 1.550 -17.519 -0.685 1.00 0.00 C ATOM 0 HA PRO A 36 3.525 -14.928 -0.601 1.00 0.00 H new ATOM 0 HB2 PRO A 36 4.527 -17.053 -2.082 1.00 0.00 H new ATOM 0 HB3 PRO A 36 4.384 -17.165 -0.339 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.531 -18.225 -2.463 1.00 0.00 H new ATOM 0 HG3 PRO A 36 3.075 -19.003 -0.990 1.00 0.00 H new ATOM 0 HD2 PRO A 36 0.622 -17.833 -1.163 1.00 0.00 H new ATOM 0 HD3 PRO A 36 1.513 -17.873 0.345 1.00 0.00 H new ATOM 483 N ASP A 37 1.828 -14.998 -3.205 1.00 0.00 N ATOM 484 CA ASP A 37 1.656 -14.430 -4.537 1.00 0.00 C ATOM 485 C ASP A 37 0.890 -13.112 -4.470 1.00 0.00 C ATOM 486 O ASP A 37 0.894 -12.331 -5.422 1.00 0.00 O ATOM 487 CB ASP A 37 0.919 -15.416 -5.445 1.00 0.00 C ATOM 488 CG ASP A 37 -0.586 -15.250 -5.379 1.00 0.00 C ATOM 489 OD1 ASP A 37 -1.206 -15.817 -4.456 1.00 0.00 O ATOM 490 OD2 ASP A 37 -1.145 -14.553 -6.252 1.00 0.00 O ATOM 0 H ASP A 37 0.965 -15.326 -2.772 1.00 0.00 H new ATOM 0 HA ASP A 37 2.645 -14.235 -4.952 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.252 -15.277 -6.473 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.182 -16.435 -5.160 1.00 0.00 H new ATOM 495 N SER A 38 0.233 -12.872 -3.340 1.00 0.00 N ATOM 496 CA SER A 38 -0.542 -11.651 -3.151 1.00 0.00 C ATOM 497 C SER A 38 0.321 -10.417 -3.397 1.00 0.00 C ATOM 498 O SER A 38 1.510 -10.402 -3.078 1.00 0.00 O ATOM 499 CB SER A 38 -1.125 -11.606 -1.737 1.00 0.00 C ATOM 500 OG SER A 38 -1.943 -12.735 -1.487 1.00 0.00 O ATOM 0 H SER A 38 0.222 -13.507 -2.542 1.00 0.00 H new ATOM 0 HA SER A 38 -1.358 -11.652 -3.873 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.316 -11.571 -1.008 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.709 -10.694 -1.610 1.00 0.00 H new ATOM 0 HG SER A 38 -2.474 -12.938 -2.286 1.00 0.00 H new ATOM 506 N LYS A 39 -0.287 -9.381 -3.966 1.00 0.00 N ATOM 507 CA LYS A 39 0.422 -8.141 -4.254 1.00 0.00 C ATOM 508 C LYS A 39 -0.216 -6.966 -3.521 1.00 0.00 C ATOM 509 O LYS A 39 -1.258 -7.112 -2.882 1.00 0.00 O ATOM 510 CB LYS A 39 0.429 -7.872 -5.761 1.00 0.00 C ATOM 511 CG LYS A 39 1.033 -9.002 -6.578 1.00 0.00 C ATOM 512 CD LYS A 39 1.333 -8.562 -8.001 1.00 0.00 C ATOM 513 CE LYS A 39 0.081 -8.574 -8.864 1.00 0.00 C ATOM 514 NZ LYS A 39 0.408 -8.587 -10.316 1.00 0.00 N ATOM 0 H LYS A 39 -1.270 -9.377 -4.237 1.00 0.00 H new ATOM 0 HA LYS A 39 1.449 -8.250 -3.905 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.594 -7.700 -6.096 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.987 -6.956 -5.955 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.951 -9.347 -6.102 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.346 -9.848 -6.595 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.759 -7.559 -7.990 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.083 -9.222 -8.437 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -0.520 -9.450 -8.619 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -0.525 -7.697 -8.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.472 -8.595 -10.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.960 -7.739 -10.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.965 -9.437 -10.539 1.00 0.00 H new ATOM 528 N VAL A 40 0.415 -5.800 -3.618 1.00 0.00 N ATOM 529 CA VAL A 40 -0.093 -4.599 -2.966 1.00 0.00 C ATOM 530 C VAL A 40 0.012 -3.388 -3.886 1.00 0.00 C ATOM 531 O VAL A 40 1.109 -2.909 -4.178 1.00 0.00 O ATOM 532 CB VAL A 40 0.669 -4.305 -1.660 1.00 0.00 C ATOM 533 CG1 VAL A 40 0.118 -3.055 -0.990 1.00 0.00 C ATOM 534 CG2 VAL A 40 0.595 -5.499 -0.720 1.00 0.00 C ATOM 0 H VAL A 40 1.279 -5.662 -4.142 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.141 -4.785 -2.733 1.00 0.00 H new ATOM 0 HB VAL A 40 1.716 -4.127 -1.903 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.669 -2.863 -0.069 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.227 -2.204 -1.662 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.937 -3.201 -0.758 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.139 -5.274 0.198 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.447 -5.710 -0.482 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.041 -6.369 -1.202 1.00 0.00 H new ATOM 544 N VAL A 41 -1.136 -2.895 -4.340 1.00 0.00 N ATOM 545 CA VAL A 41 -1.174 -1.738 -5.227 1.00 0.00 C ATOM 546 C VAL A 41 -1.759 -0.522 -4.518 1.00 0.00 C ATOM 547 O VAL A 41 -2.550 -0.656 -3.583 1.00 0.00 O ATOM 548 CB VAL A 41 -2.001 -2.028 -6.493 1.00 0.00 C ATOM 549 CG1 VAL A 41 -1.675 -3.410 -7.039 1.00 0.00 C ATOM 550 CG2 VAL A 41 -3.488 -1.899 -6.199 1.00 0.00 C ATOM 0 H VAL A 41 -2.052 -3.279 -4.108 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.145 -1.526 -5.516 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.739 -1.292 -7.253 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.269 -3.597 -7.934 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.615 -3.462 -7.290 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.907 -4.163 -6.286 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.057 -2.107 -7.105 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.768 -2.611 -5.422 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.705 -0.886 -5.859 1.00 0.00 H new ATOM 560 N PHE A 42 -1.367 0.665 -4.969 1.00 0.00 N ATOM 561 CA PHE A 42 -1.853 1.906 -4.377 1.00 0.00 C ATOM 562 C PHE A 42 -2.820 2.616 -5.320 1.00 0.00 C ATOM 563 O PHE A 42 -2.820 2.369 -6.527 1.00 0.00 O ATOM 564 CB PHE A 42 -0.679 2.830 -4.042 1.00 0.00 C ATOM 565 CG PHE A 42 0.054 2.437 -2.792 1.00 0.00 C ATOM 566 CD1 PHE A 42 0.686 1.207 -2.701 1.00 0.00 C ATOM 567 CD2 PHE A 42 0.113 3.297 -1.707 1.00 0.00 C ATOM 568 CE1 PHE A 42 1.361 0.842 -1.551 1.00 0.00 C ATOM 569 CE2 PHE A 42 0.786 2.939 -0.555 1.00 0.00 C ATOM 570 CZ PHE A 42 1.412 1.710 -0.477 1.00 0.00 C ATOM 0 H PHE A 42 -0.714 0.794 -5.742 1.00 0.00 H new ATOM 0 HA PHE A 42 -2.385 1.658 -3.459 1.00 0.00 H new ATOM 0 HB2 PHE A 42 0.020 2.834 -4.878 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -1.049 3.849 -3.932 1.00 0.00 H new ATOM 0 HD1 PHE A 42 0.651 0.526 -3.538 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -0.373 4.260 -1.763 1.00 0.00 H new ATOM 0 HE1 PHE A 42 1.848 -0.120 -1.492 1.00 0.00 H new ATOM 0 HE2 PHE A 42 0.823 3.619 0.283 1.00 0.00 H new ATOM 0 HZ PHE A 42 1.940 1.428 0.422 1.00 0.00 H new ATOM 580 N ILE A 43 -3.642 3.498 -4.761 1.00 0.00 N ATOM 581 CA ILE A 43 -4.613 4.244 -5.552 1.00 0.00 C ATOM 582 C ILE A 43 -4.608 5.722 -5.176 1.00 0.00 C ATOM 583 O ILE A 43 -4.419 6.075 -4.013 1.00 0.00 O ATOM 584 CB ILE A 43 -6.036 3.684 -5.370 1.00 0.00 C ATOM 585 CG1 ILE A 43 -6.472 3.805 -3.908 1.00 0.00 C ATOM 586 CG2 ILE A 43 -6.097 2.234 -5.827 1.00 0.00 C ATOM 587 CD1 ILE A 43 -7.974 3.800 -3.724 1.00 0.00 C ATOM 0 H ILE A 43 -3.655 3.713 -3.764 1.00 0.00 H new ATOM 0 HA ILE A 43 -4.320 4.136 -6.596 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.721 4.268 -5.984 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.041 2.981 -3.339 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -6.066 4.727 -3.491 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -7.109 1.852 -5.692 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -5.823 2.173 -6.880 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -5.402 1.637 -5.236 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -8.211 3.889 -2.664 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -8.410 4.640 -4.265 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -8.385 2.867 -4.111 1.00 0.00 H new ATOM 599 N GLU A 44 -4.820 6.580 -6.169 1.00 0.00 N ATOM 600 CA GLU A 44 -4.841 8.020 -5.942 1.00 0.00 C ATOM 601 C GLU A 44 -6.052 8.659 -6.616 1.00 0.00 C ATOM 602 O GLU A 44 -6.398 8.318 -7.747 1.00 0.00 O ATOM 603 CB GLU A 44 -3.554 8.661 -6.467 1.00 0.00 C ATOM 604 CG GLU A 44 -3.617 10.177 -6.545 1.00 0.00 C ATOM 605 CD GLU A 44 -2.538 10.760 -7.435 1.00 0.00 C ATOM 606 OE1 GLU A 44 -1.344 10.593 -7.107 1.00 0.00 O ATOM 607 OE2 GLU A 44 -2.885 11.384 -8.460 1.00 0.00 O ATOM 0 H GLU A 44 -4.980 6.303 -7.138 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.912 8.192 -4.868 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.725 8.373 -5.821 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.338 8.263 -7.459 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.595 10.477 -6.921 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -3.520 10.593 -5.542 1.00 0.00 H new ATOM 614 N ARG A 45 -6.692 9.587 -5.912 1.00 0.00 N ATOM 615 CA ARG A 45 -7.865 10.273 -6.440 1.00 0.00 C ATOM 616 C ARG A 45 -7.478 11.613 -7.060 1.00 0.00 C ATOM 617 O ARG A 45 -6.630 12.331 -6.532 1.00 0.00 O ATOM 618 CB ARG A 45 -8.897 10.491 -5.332 1.00 0.00 C ATOM 619 CG ARG A 45 -9.371 9.203 -4.679 1.00 0.00 C ATOM 620 CD ARG A 45 -8.497 8.824 -3.494 1.00 0.00 C ATOM 621 NE ARG A 45 -8.963 7.606 -2.837 1.00 0.00 N ATOM 622 CZ ARG A 45 -9.970 7.578 -1.970 1.00 0.00 C ATOM 623 NH1 ARG A 45 -10.612 8.695 -1.659 1.00 0.00 N ATOM 624 NH2 ARG A 45 -10.336 6.430 -1.414 1.00 0.00 N ATOM 0 H ARG A 45 -6.418 9.881 -4.975 1.00 0.00 H new ATOM 0 HA ARG A 45 -8.303 9.645 -7.216 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -8.466 11.138 -4.568 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -9.757 11.016 -5.747 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -10.403 9.320 -4.348 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -9.361 8.397 -5.413 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -7.470 8.684 -3.831 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -8.487 9.643 -2.775 1.00 0.00 H new ATOM 0 HE ARG A 45 -8.490 6.729 -3.055 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -10.334 9.579 -2.085 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -11.384 8.671 -0.993 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -9.844 5.569 -1.652 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -11.109 6.409 -0.749 1.00 0.00 H new ATOM 638 N GLY A 46 -8.106 11.942 -8.185 1.00 0.00 N ATOM 639 CA GLY A 46 -7.814 13.193 -8.859 1.00 0.00 C ATOM 640 C GLY A 46 -8.944 14.196 -8.735 1.00 0.00 C ATOM 641 O GLY A 46 -10.044 13.872 -8.286 1.00 0.00 O ATOM 0 H GLY A 46 -8.812 11.364 -8.641 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.903 13.623 -8.442 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -7.620 12.997 -9.914 1.00 0.00 H new ATOM 645 N PRO A 47 -8.677 15.447 -9.137 1.00 0.00 N ATOM 646 CA PRO A 47 -9.667 16.527 -9.078 1.00 0.00 C ATOM 647 C PRO A 47 -10.793 16.337 -10.089 1.00 0.00 C ATOM 648 O PRO A 47 -11.781 17.071 -10.076 1.00 0.00 O ATOM 649 CB PRO A 47 -8.850 17.777 -9.415 1.00 0.00 C ATOM 650 CG PRO A 47 -7.703 17.273 -10.221 1.00 0.00 C ATOM 651 CD PRO A 47 -7.388 15.905 -9.682 1.00 0.00 C ATOM 0 HA PRO A 47 -10.162 16.574 -8.108 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -9.443 18.498 -9.978 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -8.508 18.282 -8.512 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -7.960 17.226 -11.279 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -6.842 17.936 -10.132 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -7.023 15.239 -10.464 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -6.617 15.944 -8.912 1.00 0.00 H new ATOM 659 N ASP A 48 -10.637 15.349 -10.962 1.00 0.00 N ATOM 660 CA ASP A 48 -11.641 15.062 -11.980 1.00 0.00 C ATOM 661 C ASP A 48 -12.815 14.291 -11.383 1.00 0.00 C ATOM 662 O ASP A 48 -13.967 14.509 -11.755 1.00 0.00 O ATOM 663 CB ASP A 48 -11.022 14.263 -13.128 1.00 0.00 C ATOM 664 CG ASP A 48 -11.839 14.351 -14.401 1.00 0.00 C ATOM 665 OD1 ASP A 48 -13.042 14.016 -14.358 1.00 0.00 O ATOM 666 OD2 ASP A 48 -11.277 14.754 -15.441 1.00 0.00 O ATOM 0 H ASP A 48 -9.825 14.733 -10.986 1.00 0.00 H new ATOM 0 HA ASP A 48 -12.011 16.011 -12.367 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -10.014 14.631 -13.321 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -10.929 13.218 -12.831 1.00 0.00 H new ATOM 671 N GLY A 49 -12.512 13.388 -10.454 1.00 0.00 N ATOM 672 CA GLY A 49 -13.552 12.598 -9.822 1.00 0.00 C ATOM 673 C GLY A 49 -13.213 11.122 -9.777 1.00 0.00 C ATOM 674 O GLY A 49 -13.719 10.385 -8.930 1.00 0.00 O ATOM 0 H GLY A 49 -11.566 13.190 -10.129 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -13.714 12.961 -8.807 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -14.488 12.736 -10.363 1.00 0.00 H new ATOM 678 N LYS A 50 -12.353 10.686 -10.692 1.00 0.00 N ATOM 679 CA LYS A 50 -11.946 9.288 -10.755 1.00 0.00 C ATOM 680 C LYS A 50 -10.485 9.128 -10.346 1.00 0.00 C ATOM 681 O LYS A 50 -9.681 10.047 -10.505 1.00 0.00 O ATOM 682 CB LYS A 50 -12.154 8.738 -12.168 1.00 0.00 C ATOM 683 CG LYS A 50 -13.602 8.772 -12.627 1.00 0.00 C ATOM 684 CD LYS A 50 -13.905 7.645 -13.600 1.00 0.00 C ATOM 685 CE LYS A 50 -14.082 6.318 -12.879 1.00 0.00 C ATOM 686 NZ LYS A 50 -15.429 6.201 -12.256 1.00 0.00 N ATOM 0 H LYS A 50 -11.925 11.282 -11.400 1.00 0.00 H new ATOM 0 HA LYS A 50 -12.565 8.724 -10.057 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -11.547 9.314 -12.866 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -11.794 7.710 -12.205 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -14.261 8.694 -11.762 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -13.812 9.730 -13.102 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -14.811 7.880 -14.160 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -13.095 7.561 -14.325 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -13.935 5.499 -13.584 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -13.316 6.218 -12.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -15.510 5.283 -11.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -15.560 6.967 -11.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -16.160 6.271 -12.993 1.00 0.00 H new ATOM 700 N LEU A 51 -10.148 7.955 -9.822 1.00 0.00 N ATOM 701 CA LEU A 51 -8.782 7.674 -9.391 1.00 0.00 C ATOM 702 C LEU A 51 -8.065 6.784 -10.401 1.00 0.00 C ATOM 703 O LEU A 51 -8.620 5.790 -10.869 1.00 0.00 O ATOM 704 CB LEU A 51 -8.788 7.003 -8.016 1.00 0.00 C ATOM 705 CG LEU A 51 -9.815 5.887 -7.818 1.00 0.00 C ATOM 706 CD1 LEU A 51 -9.468 4.683 -8.680 1.00 0.00 C ATOM 707 CD2 LEU A 51 -9.894 5.490 -6.351 1.00 0.00 C ATOM 0 H LEU A 51 -10.801 7.183 -9.685 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.246 8.621 -9.324 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -7.795 6.593 -7.830 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -8.964 7.769 -7.261 1.00 0.00 H new ATOM 0 HG LEU A 51 -10.792 6.259 -8.127 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -10.210 3.899 -8.526 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.463 4.976 -9.730 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -8.482 4.309 -8.403 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -10.629 4.695 -6.228 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.919 5.137 -6.017 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -10.191 6.354 -5.756 1.00 0.00 H new ATOM 719 N GLN A 52 -6.830 7.147 -10.730 1.00 0.00 N ATOM 720 CA GLN A 52 -6.037 6.379 -11.683 1.00 0.00 C ATOM 721 C GLN A 52 -4.559 6.404 -11.307 1.00 0.00 C ATOM 722 O GLN A 52 -3.877 7.410 -11.501 1.00 0.00 O ATOM 723 CB GLN A 52 -6.225 6.933 -13.097 1.00 0.00 C ATOM 724 CG GLN A 52 -7.678 6.997 -13.537 1.00 0.00 C ATOM 725 CD GLN A 52 -8.181 5.675 -14.085 1.00 0.00 C ATOM 726 OE1 GLN A 52 -7.481 4.663 -14.036 1.00 0.00 O ATOM 727 NE2 GLN A 52 -9.400 5.678 -14.612 1.00 0.00 N ATOM 0 H GLN A 52 -6.357 7.967 -10.351 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.382 5.346 -11.656 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -5.795 7.933 -13.147 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -5.669 6.312 -13.799 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.297 7.294 -12.691 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -7.789 7.768 -14.300 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -9.945 6.540 -14.632 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -9.791 4.818 -14.997 1.00 0.00 H new ATOM 736 N TRP A 53 -4.073 5.292 -10.769 1.00 0.00 N ATOM 737 CA TRP A 53 -2.675 5.187 -10.365 1.00 0.00 C ATOM 738 C TRP A 53 -2.196 3.741 -10.432 1.00 0.00 C ATOM 739 O TRP A 53 -2.581 2.912 -9.608 1.00 0.00 O ATOM 740 CB TRP A 53 -2.490 5.733 -8.948 1.00 0.00 C ATOM 741 CG TRP A 53 -1.053 5.839 -8.535 1.00 0.00 C ATOM 742 CD1 TRP A 53 0.033 5.921 -9.360 1.00 0.00 C ATOM 743 CD2 TRP A 53 -0.546 5.872 -7.197 1.00 0.00 C ATOM 744 NE1 TRP A 53 1.184 6.004 -8.614 1.00 0.00 N ATOM 745 CE2 TRP A 53 0.856 5.977 -7.285 1.00 0.00 C ATOM 746 CE3 TRP A 53 -1.140 5.827 -5.933 1.00 0.00 C ATOM 747 CZ2 TRP A 53 1.670 6.034 -6.157 1.00 0.00 C ATOM 748 CZ3 TRP A 53 -0.330 5.883 -4.814 1.00 0.00 C ATOM 749 CH2 TRP A 53 1.062 5.987 -4.932 1.00 0.00 C ATOM 0 H TRP A 53 -4.625 4.451 -10.602 1.00 0.00 H new ATOM 0 HA TRP A 53 -2.077 5.781 -11.057 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -2.953 6.718 -8.882 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -3.016 5.086 -8.246 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -0.007 5.921 -10.439 1.00 0.00 H new ATOM 0 HE1 TRP A 53 2.130 6.074 -8.990 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -2.212 5.750 -5.832 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 2.743 6.113 -6.246 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -0.778 5.846 -3.832 1.00 0.00 H new ATOM 0 HH2 TRP A 53 1.667 6.031 -4.039 1.00 0.00 H new ATOM 760 N GLU A 54 -1.355 3.446 -11.418 1.00 0.00 N ATOM 761 CA GLU A 54 -0.825 2.099 -11.592 1.00 0.00 C ATOM 762 C GLU A 54 0.622 2.018 -11.113 1.00 0.00 C ATOM 763 O GLU A 54 1.550 2.335 -11.857 1.00 0.00 O ATOM 764 CB GLU A 54 -0.912 1.677 -13.060 1.00 0.00 C ATOM 765 CG GLU A 54 -0.415 0.265 -13.319 1.00 0.00 C ATOM 766 CD GLU A 54 -0.521 -0.132 -14.778 1.00 0.00 C ATOM 767 OE1 GLU A 54 -1.642 -0.447 -15.228 1.00 0.00 O ATOM 768 OE2 GLU A 54 0.519 -0.128 -15.471 1.00 0.00 O ATOM 0 H GLU A 54 -1.026 4.121 -12.108 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.428 1.419 -10.990 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.948 1.755 -13.391 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -0.331 2.374 -13.664 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.624 0.185 -12.999 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.990 -0.435 -12.713 1.00 0.00 H new ATOM 775 N GLU A 55 0.805 1.591 -9.868 1.00 0.00 N ATOM 776 CA GLU A 55 2.138 1.470 -9.290 1.00 0.00 C ATOM 777 C GLU A 55 2.305 0.128 -8.584 1.00 0.00 C ATOM 778 O GLU A 55 1.329 -0.481 -8.147 1.00 0.00 O ATOM 779 CB GLU A 55 2.398 2.612 -8.306 1.00 0.00 C ATOM 780 CG GLU A 55 1.396 2.672 -7.165 1.00 0.00 C ATOM 781 CD GLU A 55 1.700 1.671 -6.068 1.00 0.00 C ATOM 782 OE1 GLU A 55 2.604 1.943 -5.251 1.00 0.00 O ATOM 783 OE2 GLU A 55 1.035 0.614 -6.027 1.00 0.00 O ATOM 0 H GLU A 55 0.047 1.323 -9.240 1.00 0.00 H new ATOM 0 HA GLU A 55 2.864 1.527 -10.101 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.401 2.503 -7.893 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.377 3.558 -8.847 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.391 3.677 -6.743 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.395 2.485 -7.555 1.00 0.00 H new ATOM 790 N GLU A 56 3.550 -0.328 -8.477 1.00 0.00 N ATOM 791 CA GLU A 56 3.844 -1.598 -7.825 1.00 0.00 C ATOM 792 C GLU A 56 4.942 -1.431 -6.778 1.00 0.00 C ATOM 793 O GLU A 56 5.951 -0.771 -7.022 1.00 0.00 O ATOM 794 CB GLU A 56 4.267 -2.642 -8.861 1.00 0.00 C ATOM 795 CG GLU A 56 4.777 -3.936 -8.249 1.00 0.00 C ATOM 796 CD GLU A 56 3.658 -4.899 -7.904 1.00 0.00 C ATOM 797 OE1 GLU A 56 2.557 -4.428 -7.549 1.00 0.00 O ATOM 798 OE2 GLU A 56 3.884 -6.124 -7.989 1.00 0.00 O ATOM 0 H GLU A 56 4.370 0.163 -8.833 1.00 0.00 H new ATOM 0 HA GLU A 56 2.938 -1.939 -7.325 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.418 -2.865 -9.507 1.00 0.00 H new ATOM 0 HB3 GLU A 56 5.046 -2.218 -9.494 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.463 -4.417 -8.946 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.346 -3.708 -7.348 1.00 0.00 H new ATOM 805 N ALA A 57 4.736 -2.035 -5.612 1.00 0.00 N ATOM 806 CA ALA A 57 5.707 -1.955 -4.529 1.00 0.00 C ATOM 807 C ALA A 57 6.453 -3.274 -4.361 1.00 0.00 C ATOM 808 O ALA A 57 5.874 -4.351 -4.508 1.00 0.00 O ATOM 809 CB ALA A 57 5.017 -1.568 -3.229 1.00 0.00 C ATOM 0 H ALA A 57 3.905 -2.585 -5.394 1.00 0.00 H new ATOM 0 HA ALA A 57 6.436 -1.186 -4.784 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.754 -1.512 -2.428 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.536 -0.597 -3.348 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.266 -2.317 -2.979 1.00 0.00 H new ATOM 815 N THR A 58 7.744 -3.184 -4.054 1.00 0.00 N ATOM 816 CA THR A 58 8.569 -4.371 -3.869 1.00 0.00 C ATOM 817 C THR A 58 8.053 -5.226 -2.717 1.00 0.00 C ATOM 818 O THR A 58 8.203 -4.868 -1.549 1.00 0.00 O ATOM 819 CB THR A 58 10.038 -3.996 -3.596 1.00 0.00 C ATOM 820 OG1 THR A 58 10.517 -3.115 -4.618 1.00 0.00 O ATOM 821 CG2 THR A 58 10.913 -5.239 -3.541 1.00 0.00 C ATOM 0 H THR A 58 8.240 -2.302 -3.928 1.00 0.00 H new ATOM 0 HA THR A 58 8.513 -4.942 -4.795 1.00 0.00 H new ATOM 0 HB THR A 58 10.087 -3.493 -2.630 1.00 0.00 H new ATOM 0 HG1 THR A 58 11.451 -2.880 -4.436 1.00 0.00 H new ATOM 0 HG21 THR A 58 11.946 -4.949 -3.347 1.00 0.00 H new ATOM 0 HG22 THR A 58 10.564 -5.894 -2.743 1.00 0.00 H new ATOM 0 HG23 THR A 58 10.857 -5.766 -4.494 1.00 0.00 H new ATOM 829 N VAL A 59 7.445 -6.359 -3.054 1.00 0.00 N ATOM 830 CA VAL A 59 6.907 -7.266 -2.047 1.00 0.00 C ATOM 831 C VAL A 59 7.964 -8.266 -1.588 1.00 0.00 C ATOM 832 O VAL A 59 8.478 -9.049 -2.385 1.00 0.00 O ATOM 833 CB VAL A 59 5.685 -8.037 -2.581 1.00 0.00 C ATOM 834 CG1 VAL A 59 5.215 -9.064 -1.563 1.00 0.00 C ATOM 835 CG2 VAL A 59 4.563 -7.074 -2.937 1.00 0.00 C ATOM 0 H VAL A 59 7.313 -6.671 -4.016 1.00 0.00 H new ATOM 0 HA VAL A 59 6.598 -6.652 -1.201 1.00 0.00 H new ATOM 0 HB VAL A 59 5.979 -8.568 -3.487 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.351 -9.599 -1.958 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.019 -9.772 -1.362 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.937 -8.559 -0.638 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.707 -7.635 -3.313 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.268 -6.514 -2.049 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.908 -6.381 -3.705 1.00 0.00 H new ATOM 845 N ASN A 60 8.282 -8.232 -0.298 1.00 0.00 N ATOM 846 CA ASN A 60 9.277 -9.135 0.267 1.00 0.00 C ATOM 847 C ASN A 60 8.633 -10.442 0.717 1.00 0.00 C ATOM 848 O ASN A 60 8.045 -10.518 1.796 1.00 0.00 O ATOM 849 CB ASN A 60 9.986 -8.470 1.449 1.00 0.00 C ATOM 850 CG ASN A 60 11.155 -9.291 1.959 1.00 0.00 C ATOM 851 OD1 ASN A 60 11.289 -10.470 1.630 1.00 0.00 O ATOM 852 ND2 ASN A 60 12.006 -8.671 2.767 1.00 0.00 N ATOM 0 H ASN A 60 7.865 -7.589 0.375 1.00 0.00 H new ATOM 0 HA ASN A 60 10.009 -9.360 -0.509 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.342 -7.485 1.148 1.00 0.00 H new ATOM 0 HB3 ASN A 60 9.272 -8.318 2.258 1.00 0.00 H new ATOM 0 HD21 ASN A 60 12.811 -9.173 3.142 1.00 0.00 H new ATOM 0 HD22 ASN A 60 11.855 -7.693 3.013 1.00 0.00 H new ATOM 859 N ARG A 61 8.747 -11.470 -0.118 1.00 0.00 N ATOM 860 CA ARG A 61 8.175 -12.774 0.193 1.00 0.00 C ATOM 861 C ARG A 61 8.881 -13.406 1.389 1.00 0.00 C ATOM 862 O ARG A 61 8.236 -13.875 2.328 1.00 0.00 O ATOM 863 CB ARG A 61 8.276 -13.701 -1.020 1.00 0.00 C ATOM 864 CG ARG A 61 7.070 -13.629 -1.943 1.00 0.00 C ATOM 865 CD ARG A 61 7.233 -12.537 -2.988 1.00 0.00 C ATOM 866 NE ARG A 61 8.154 -12.931 -4.052 1.00 0.00 N ATOM 867 CZ ARG A 61 8.225 -12.316 -5.227 1.00 0.00 C ATOM 868 NH1 ARG A 61 7.434 -11.285 -5.488 1.00 0.00 N ATOM 869 NH2 ARG A 61 9.089 -12.733 -6.144 1.00 0.00 N ATOM 0 H ARG A 61 9.230 -11.425 -1.015 1.00 0.00 H new ATOM 0 HA ARG A 61 7.125 -12.631 0.447 1.00 0.00 H new ATOM 0 HB2 ARG A 61 9.172 -13.448 -1.586 1.00 0.00 H new ATOM 0 HB3 ARG A 61 8.397 -14.727 -0.673 1.00 0.00 H new ATOM 0 HG2 ARG A 61 6.931 -14.590 -2.438 1.00 0.00 H new ATOM 0 HG3 ARG A 61 6.171 -13.441 -1.355 1.00 0.00 H new ATOM 0 HD2 ARG A 61 6.261 -12.300 -3.420 1.00 0.00 H new ATOM 0 HD3 ARG A 61 7.599 -11.629 -2.509 1.00 0.00 H new ATOM 0 HE ARG A 61 8.776 -13.721 -3.883 1.00 0.00 H new ATOM 0 HH11 ARG A 61 6.769 -10.962 -4.786 1.00 0.00 H new ATOM 0 HH12 ARG A 61 7.491 -10.815 -6.391 1.00 0.00 H new ATOM 0 HH21 ARG A 61 9.699 -13.526 -5.947 1.00 0.00 H new ATOM 0 HH22 ARG A 61 9.143 -12.260 -7.046 1.00 0.00 H new ATOM 883 N LEU A 62 10.209 -13.416 1.349 1.00 0.00 N ATOM 884 CA LEU A 62 11.003 -13.991 2.429 1.00 0.00 C ATOM 885 C LEU A 62 10.423 -13.617 3.790 1.00 0.00 C ATOM 886 O LEU A 62 10.297 -14.463 4.674 1.00 0.00 O ATOM 887 CB LEU A 62 12.453 -13.515 2.331 1.00 0.00 C ATOM 888 CG LEU A 62 13.308 -14.184 1.255 1.00 0.00 C ATOM 889 CD1 LEU A 62 14.448 -13.270 0.833 1.00 0.00 C ATOM 890 CD2 LEU A 62 13.848 -15.516 1.755 1.00 0.00 C ATOM 0 H LEU A 62 10.759 -13.032 0.580 1.00 0.00 H new ATOM 0 HA LEU A 62 10.976 -15.076 2.329 1.00 0.00 H new ATOM 0 HB2 LEU A 62 12.450 -12.440 2.148 1.00 0.00 H new ATOM 0 HB3 LEU A 62 12.932 -13.673 3.297 1.00 0.00 H new ATOM 0 HG LEU A 62 12.680 -14.372 0.385 1.00 0.00 H new ATOM 0 HD11 LEU A 62 15.045 -13.764 0.067 1.00 0.00 H new ATOM 0 HD12 LEU A 62 14.041 -12.341 0.434 1.00 0.00 H new ATOM 0 HD13 LEU A 62 15.076 -13.049 1.696 1.00 0.00 H new ATOM 0 HD21 LEU A 62 14.454 -15.978 0.976 1.00 0.00 H new ATOM 0 HD22 LEU A 62 14.460 -15.351 2.641 1.00 0.00 H new ATOM 0 HD23 LEU A 62 13.016 -16.174 2.006 1.00 0.00 H new ATOM 902 N GLN A 63 10.072 -12.345 3.948 1.00 0.00 N ATOM 903 CA GLN A 63 9.504 -11.859 5.200 1.00 0.00 C ATOM 904 C GLN A 63 8.009 -12.152 5.270 1.00 0.00 C ATOM 905 O GLN A 63 7.492 -12.551 6.314 1.00 0.00 O ATOM 906 CB GLN A 63 9.749 -10.357 5.347 1.00 0.00 C ATOM 907 CG GLN A 63 11.111 -10.016 5.930 1.00 0.00 C ATOM 908 CD GLN A 63 11.118 -10.037 7.446 1.00 0.00 C ATOM 909 OE1 GLN A 63 11.122 -11.103 8.063 1.00 0.00 O ATOM 910 NE2 GLN A 63 11.121 -8.857 8.055 1.00 0.00 N ATOM 0 H GLN A 63 10.171 -11.632 3.225 1.00 0.00 H new ATOM 0 HA GLN A 63 9.997 -12.382 6.020 1.00 0.00 H new ATOM 0 HB2 GLN A 63 9.653 -9.884 4.369 1.00 0.00 H new ATOM 0 HB3 GLN A 63 8.974 -9.932 5.984 1.00 0.00 H new ATOM 0 HG2 GLN A 63 11.850 -10.725 5.557 1.00 0.00 H new ATOM 0 HG3 GLN A 63 11.414 -9.028 5.583 1.00 0.00 H new ATOM 0 HE21 GLN A 63 11.117 -7.999 7.504 1.00 0.00 H new ATOM 0 HE22 GLN A 63 11.127 -8.809 9.074 1.00 0.00 H new ATOM 919 N SER A 64 7.319 -11.952 4.151 1.00 0.00 N ATOM 920 CA SER A 64 5.882 -12.191 4.087 1.00 0.00 C ATOM 921 C SER A 64 5.536 -13.574 4.631 1.00 0.00 C ATOM 922 O SER A 64 6.113 -14.578 4.216 1.00 0.00 O ATOM 923 CB SER A 64 5.386 -12.059 2.645 1.00 0.00 C ATOM 924 OG SER A 64 5.609 -10.751 2.147 1.00 0.00 O ATOM 0 H SER A 64 7.732 -11.625 3.277 1.00 0.00 H new ATOM 0 HA SER A 64 5.386 -11.442 4.705 1.00 0.00 H new ATOM 0 HB2 SER A 64 5.898 -12.784 2.013 1.00 0.00 H new ATOM 0 HB3 SER A 64 4.322 -12.292 2.600 1.00 0.00 H new ATOM 0 HG SER A 64 6.427 -10.741 1.607 1.00 0.00 H new ATOM 930 N ASN A 65 4.589 -13.616 5.563 1.00 0.00 N ATOM 931 CA ASN A 65 4.166 -14.875 6.165 1.00 0.00 C ATOM 932 C ASN A 65 2.664 -15.083 5.991 1.00 0.00 C ATOM 933 O ASN A 65 1.943 -14.169 5.594 1.00 0.00 O ATOM 934 CB ASN A 65 4.526 -14.900 7.652 1.00 0.00 C ATOM 935 CG ASN A 65 4.410 -16.288 8.252 1.00 0.00 C ATOM 936 OD1 ASN A 65 4.563 -17.292 7.556 1.00 0.00 O ATOM 937 ND2 ASN A 65 4.137 -16.350 9.550 1.00 0.00 N ATOM 0 H ASN A 65 4.101 -12.794 5.917 1.00 0.00 H new ATOM 0 HA ASN A 65 4.689 -15.686 5.658 1.00 0.00 H new ATOM 0 HB2 ASN A 65 5.545 -14.535 7.783 1.00 0.00 H new ATOM 0 HB3 ASN A 65 3.871 -14.217 8.193 1.00 0.00 H new ATOM 0 HD21 ASN A 65 4.046 -17.256 10.009 1.00 0.00 H new ATOM 0 HD22 ASN A 65 4.018 -15.491 10.088 1.00 0.00 H new ATOM 944 N GLU A 66 2.201 -16.293 6.291 1.00 0.00 N ATOM 945 CA GLU A 66 0.786 -16.621 6.168 1.00 0.00 C ATOM 946 C GLU A 66 -0.080 -15.547 6.820 1.00 0.00 C ATOM 947 O GLU A 66 -1.224 -15.329 6.420 1.00 0.00 O ATOM 948 CB GLU A 66 0.497 -17.981 6.805 1.00 0.00 C ATOM 949 CG GLU A 66 -0.974 -18.361 6.789 1.00 0.00 C ATOM 950 CD GLU A 66 -1.393 -19.013 5.485 1.00 0.00 C ATOM 951 OE1 GLU A 66 -1.068 -20.201 5.284 1.00 0.00 O ATOM 952 OE2 GLU A 66 -2.048 -18.333 4.667 1.00 0.00 O ATOM 0 H GLU A 66 2.785 -17.061 6.621 1.00 0.00 H new ATOM 0 HA GLU A 66 0.541 -16.666 5.107 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.067 -18.747 6.280 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.850 -17.972 7.836 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.178 -19.043 7.614 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.578 -17.469 6.956 1.00 0.00 H new ATOM 959 N VAL A 67 0.474 -14.879 7.827 1.00 0.00 N ATOM 960 CA VAL A 67 -0.247 -13.828 8.535 1.00 0.00 C ATOM 961 C VAL A 67 0.594 -12.560 8.639 1.00 0.00 C ATOM 962 O VAL A 67 0.478 -11.802 9.603 1.00 0.00 O ATOM 963 CB VAL A 67 -0.652 -14.280 9.950 1.00 0.00 C ATOM 964 CG1 VAL A 67 -1.458 -15.568 9.889 1.00 0.00 C ATOM 965 CG2 VAL A 67 0.580 -14.452 10.827 1.00 0.00 C ATOM 0 H VAL A 67 1.420 -15.047 8.171 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.148 -13.618 7.958 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.280 -13.508 10.394 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.735 -15.872 10.898 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.360 -15.405 9.299 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.858 -16.351 9.426 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.275 -14.772 11.824 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.236 -15.204 10.389 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.112 -13.503 10.897 1.00 0.00 H new ATOM 975 N THR A 68 1.441 -12.334 7.640 1.00 0.00 N ATOM 976 CA THR A 68 2.302 -11.158 7.618 1.00 0.00 C ATOM 977 C THR A 68 2.672 -10.774 6.191 1.00 0.00 C ATOM 978 O THR A 68 2.860 -11.638 5.333 1.00 0.00 O ATOM 979 CB THR A 68 3.592 -11.392 8.426 1.00 0.00 C ATOM 980 OG1 THR A 68 3.270 -11.880 9.733 1.00 0.00 O ATOM 981 CG2 THR A 68 4.398 -10.107 8.544 1.00 0.00 C ATOM 0 H THR A 68 1.549 -12.951 6.835 1.00 0.00 H new ATOM 0 HA THR A 68 1.738 -10.345 8.075 1.00 0.00 H new ATOM 0 HB THR A 68 4.194 -12.133 7.900 1.00 0.00 H new ATOM 0 HG1 THR A 68 4.096 -12.028 10.240 1.00 0.00 H new ATOM 0 HG21 THR A 68 5.304 -10.297 9.119 1.00 0.00 H new ATOM 0 HG22 THR A 68 4.667 -9.754 7.549 1.00 0.00 H new ATOM 0 HG23 THR A 68 3.801 -9.348 9.049 1.00 0.00 H new ATOM 989 N LEU A 69 2.777 -9.473 5.942 1.00 0.00 N ATOM 990 CA LEU A 69 3.126 -8.974 4.616 1.00 0.00 C ATOM 991 C LEU A 69 4.053 -7.766 4.716 1.00 0.00 C ATOM 992 O LEU A 69 3.626 -6.670 5.081 1.00 0.00 O ATOM 993 CB LEU A 69 1.862 -8.598 3.841 1.00 0.00 C ATOM 994 CG LEU A 69 1.234 -9.711 3.002 1.00 0.00 C ATOM 995 CD1 LEU A 69 -0.072 -9.239 2.381 1.00 0.00 C ATOM 996 CD2 LEU A 69 2.201 -10.178 1.924 1.00 0.00 C ATOM 0 H LEU A 69 2.626 -8.745 6.640 1.00 0.00 H new ATOM 0 HA LEU A 69 3.649 -9.768 4.082 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.117 -8.241 4.552 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.099 -7.763 3.182 1.00 0.00 H new ATOM 0 HG LEU A 69 1.017 -10.555 3.657 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.505 -10.044 1.787 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.768 -8.955 3.170 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.120 -8.379 1.740 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.737 -10.970 1.337 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.450 -9.341 1.271 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.110 -10.557 2.390 1.00 0.00 H new ATOM 1008 N THR A 70 5.324 -7.973 4.387 1.00 0.00 N ATOM 1009 CA THR A 70 6.311 -6.902 4.439 1.00 0.00 C ATOM 1010 C THR A 70 6.735 -6.477 3.038 1.00 0.00 C ATOM 1011 O THR A 70 7.178 -7.300 2.235 1.00 0.00 O ATOM 1012 CB THR A 70 7.561 -7.327 5.234 1.00 0.00 C ATOM 1013 OG1 THR A 70 7.177 -7.817 6.523 1.00 0.00 O ATOM 1014 CG2 THR A 70 8.522 -6.159 5.395 1.00 0.00 C ATOM 0 H THR A 70 5.694 -8.873 4.082 1.00 0.00 H new ATOM 0 HA THR A 70 5.837 -6.060 4.944 1.00 0.00 H new ATOM 0 HB THR A 70 8.066 -8.119 4.680 1.00 0.00 H new ATOM 0 HG1 THR A 70 7.976 -8.087 7.022 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.397 -6.483 5.959 1.00 0.00 H new ATOM 0 HG22 THR A 70 8.834 -5.807 4.412 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.025 -5.350 5.929 1.00 0.00 H new ATOM 1022 N LEU A 71 6.597 -5.187 2.749 1.00 0.00 N ATOM 1023 CA LEU A 71 6.967 -4.652 1.443 1.00 0.00 C ATOM 1024 C LEU A 71 7.535 -3.242 1.574 1.00 0.00 C ATOM 1025 O LEU A 71 7.319 -2.564 2.579 1.00 0.00 O ATOM 1026 CB LEU A 71 5.753 -4.641 0.513 1.00 0.00 C ATOM 1027 CG LEU A 71 4.605 -3.716 0.918 1.00 0.00 C ATOM 1028 CD1 LEU A 71 3.768 -3.340 -0.296 1.00 0.00 C ATOM 1029 CD2 LEU A 71 3.739 -4.374 1.982 1.00 0.00 C ATOM 0 H LEU A 71 6.232 -4.493 3.401 1.00 0.00 H new ATOM 0 HA LEU A 71 7.737 -5.296 1.018 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.087 -4.356 -0.485 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.366 -5.657 0.442 1.00 0.00 H new ATOM 0 HG LEU A 71 5.030 -2.804 1.337 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.956 -2.681 0.012 1.00 0.00 H new ATOM 0 HD12 LEU A 71 4.395 -2.827 -1.025 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.353 -4.242 -0.745 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.927 -3.701 2.258 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.323 -5.302 1.590 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.345 -4.591 2.862 1.00 0.00 H new ATOM 1041 N THR A 72 8.260 -2.805 0.549 1.00 0.00 N ATOM 1042 CA THR A 72 8.858 -1.476 0.548 1.00 0.00 C ATOM 1043 C THR A 72 7.889 -0.437 -0.005 1.00 0.00 C ATOM 1044 O THR A 72 7.582 -0.432 -1.197 1.00 0.00 O ATOM 1045 CB THR A 72 10.156 -1.444 -0.282 1.00 0.00 C ATOM 1046 OG1 THR A 72 11.048 -2.472 0.164 1.00 0.00 O ATOM 1047 CG2 THR A 72 10.838 -0.089 -0.168 1.00 0.00 C ATOM 0 H THR A 72 8.447 -3.352 -0.291 1.00 0.00 H new ATOM 0 HA THR A 72 9.092 -1.235 1.585 1.00 0.00 H new ATOM 0 HB THR A 72 9.898 -1.616 -1.327 1.00 0.00 H new ATOM 0 HG1 THR A 72 11.870 -2.446 -0.369 1.00 0.00 H new ATOM 0 HG21 THR A 72 11.752 -0.090 -0.762 1.00 0.00 H new ATOM 0 HG22 THR A 72 10.168 0.688 -0.535 1.00 0.00 H new ATOM 0 HG23 THR A 72 11.084 0.108 0.875 1.00 0.00 H new ATOM 1055 N VAL A 73 7.410 0.443 0.869 1.00 0.00 N ATOM 1056 CA VAL A 73 6.477 1.488 0.468 1.00 0.00 C ATOM 1057 C VAL A 73 6.860 2.077 -0.886 1.00 0.00 C ATOM 1058 O VAL A 73 8.001 2.478 -1.116 1.00 0.00 O ATOM 1059 CB VAL A 73 6.420 2.621 1.510 1.00 0.00 C ATOM 1060 CG1 VAL A 73 5.371 3.652 1.122 1.00 0.00 C ATOM 1061 CG2 VAL A 73 6.138 2.056 2.894 1.00 0.00 C ATOM 0 H VAL A 73 7.653 0.452 1.860 1.00 0.00 H new ATOM 0 HA VAL A 73 5.494 1.023 0.394 1.00 0.00 H new ATOM 0 HB VAL A 73 7.390 3.118 1.535 1.00 0.00 H new ATOM 0 HG11 VAL A 73 5.345 4.444 1.870 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.621 4.078 0.150 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.393 3.173 1.067 1.00 0.00 H new ATOM 0 HG21 VAL A 73 6.101 2.870 3.618 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.181 1.534 2.886 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.929 1.359 3.171 1.00 0.00 H new ATOM 1071 N PRO A 74 5.884 2.132 -1.804 1.00 0.00 N ATOM 1072 CA PRO A 74 6.095 2.672 -3.151 1.00 0.00 C ATOM 1073 C PRO A 74 6.308 4.182 -3.144 1.00 0.00 C ATOM 1074 O PRO A 74 6.033 4.851 -2.149 1.00 0.00 O ATOM 1075 CB PRO A 74 4.797 2.318 -3.882 1.00 0.00 C ATOM 1076 CG PRO A 74 3.775 2.204 -2.804 1.00 0.00 C ATOM 1077 CD PRO A 74 4.501 1.673 -1.599 1.00 0.00 C ATOM 0 HA PRO A 74 6.990 2.262 -3.619 1.00 0.00 H new ATOM 0 HB2 PRO A 74 4.527 3.088 -4.604 1.00 0.00 H new ATOM 0 HB3 PRO A 74 4.896 1.384 -4.434 1.00 0.00 H new ATOM 0 HG2 PRO A 74 3.322 3.173 -2.591 1.00 0.00 H new ATOM 0 HG3 PRO A 74 2.968 1.533 -3.100 1.00 0.00 H new ATOM 0 HD2 PRO A 74 4.081 2.064 -0.672 1.00 0.00 H new ATOM 0 HD3 PRO A 74 4.443 0.586 -1.542 1.00 0.00 H new ATOM 1085 N GLU A 75 6.798 4.711 -4.260 1.00 0.00 N ATOM 1086 CA GLU A 75 7.048 6.142 -4.381 1.00 0.00 C ATOM 1087 C GLU A 75 5.857 6.850 -5.022 1.00 0.00 C ATOM 1088 O GLU A 75 5.460 6.529 -6.143 1.00 0.00 O ATOM 1089 CB GLU A 75 8.311 6.395 -5.207 1.00 0.00 C ATOM 1090 CG GLU A 75 9.583 6.432 -4.378 1.00 0.00 C ATOM 1091 CD GLU A 75 10.837 6.405 -5.230 1.00 0.00 C ATOM 1092 OE1 GLU A 75 11.328 5.296 -5.527 1.00 0.00 O ATOM 1093 OE2 GLU A 75 11.326 7.492 -5.601 1.00 0.00 O ATOM 0 H GLU A 75 7.030 4.170 -5.093 1.00 0.00 H new ATOM 0 HA GLU A 75 7.192 6.545 -3.379 1.00 0.00 H new ATOM 0 HB2 GLU A 75 8.403 5.615 -5.963 1.00 0.00 H new ATOM 0 HB3 GLU A 75 8.205 7.342 -5.737 1.00 0.00 H new ATOM 0 HG2 GLU A 75 9.585 7.332 -3.763 1.00 0.00 H new ATOM 0 HG3 GLU A 75 9.593 5.581 -3.697 1.00 0.00 H new ATOM 1100 N TYR A 76 5.293 7.814 -4.304 1.00 0.00 N ATOM 1101 CA TYR A 76 4.146 8.566 -4.800 1.00 0.00 C ATOM 1102 C TYR A 76 4.483 9.272 -6.110 1.00 0.00 C ATOM 1103 O TYR A 76 5.653 9.451 -6.448 1.00 0.00 O ATOM 1104 CB TYR A 76 3.690 9.589 -3.758 1.00 0.00 C ATOM 1105 CG TYR A 76 2.354 10.221 -4.074 1.00 0.00 C ATOM 1106 CD1 TYR A 76 1.286 9.449 -4.518 1.00 0.00 C ATOM 1107 CD2 TYR A 76 2.158 11.589 -3.931 1.00 0.00 C ATOM 1108 CE1 TYR A 76 0.063 10.022 -4.808 1.00 0.00 C ATOM 1109 CE2 TYR A 76 0.938 12.170 -4.218 1.00 0.00 C ATOM 1110 CZ TYR A 76 -0.106 11.383 -4.656 1.00 0.00 C ATOM 1111 OH TYR A 76 -1.322 11.958 -4.945 1.00 0.00 O ATOM 0 H TYR A 76 5.611 8.094 -3.376 1.00 0.00 H new ATOM 0 HA TYR A 76 3.335 7.862 -4.986 1.00 0.00 H new ATOM 0 HB2 TYR A 76 3.631 9.102 -2.785 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.443 10.373 -3.677 1.00 0.00 H new ATOM 0 HD1 TYR A 76 1.415 8.383 -4.638 1.00 0.00 H new ATOM 0 HD2 TYR A 76 2.974 12.209 -3.589 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -0.756 9.408 -5.152 1.00 0.00 H new ATOM 0 HE2 TYR A 76 0.803 13.235 -4.100 1.00 0.00 H new ATOM 0 HH TYR A 76 -1.274 12.924 -4.785 1.00 0.00 H new ATOM 1121 N SER A 77 3.449 9.672 -6.842 1.00 0.00 N ATOM 1122 CA SER A 77 3.633 10.356 -8.116 1.00 0.00 C ATOM 1123 C SER A 77 3.985 11.825 -7.898 1.00 0.00 C ATOM 1124 O SER A 77 5.082 12.268 -8.234 1.00 0.00 O ATOM 1125 CB SER A 77 2.367 10.244 -8.968 1.00 0.00 C ATOM 1126 OG SER A 77 2.276 11.316 -9.890 1.00 0.00 O ATOM 0 H SER A 77 2.474 9.534 -6.574 1.00 0.00 H new ATOM 0 HA SER A 77 4.459 9.876 -8.641 1.00 0.00 H new ATOM 0 HB2 SER A 77 2.370 9.296 -9.507 1.00 0.00 H new ATOM 0 HB3 SER A 77 1.489 10.241 -8.322 1.00 0.00 H new ATOM 0 HG SER A 77 1.459 11.220 -10.423 1.00 0.00 H new ATOM 1132 N ASN A 78 3.043 12.574 -7.334 1.00 0.00 N ATOM 1133 CA ASN A 78 3.252 13.994 -7.071 1.00 0.00 C ATOM 1134 C ASN A 78 3.862 14.207 -5.690 1.00 0.00 C ATOM 1135 O ASN A 78 3.175 14.109 -4.673 1.00 0.00 O ATOM 1136 CB ASN A 78 1.928 14.753 -7.179 1.00 0.00 C ATOM 1137 CG ASN A 78 2.130 16.229 -7.464 1.00 0.00 C ATOM 1138 OD1 ASN A 78 3.259 16.693 -7.621 1.00 0.00 O ATOM 1139 ND2 ASN A 78 1.033 16.974 -7.531 1.00 0.00 N ATOM 0 H ASN A 78 2.129 12.222 -7.050 1.00 0.00 H new ATOM 0 HA ASN A 78 3.946 14.379 -7.818 1.00 0.00 H new ATOM 0 HB2 ASN A 78 1.323 14.312 -7.971 1.00 0.00 H new ATOM 0 HB3 ASN A 78 1.369 14.638 -6.250 1.00 0.00 H new ATOM 0 HD21 ASN A 78 1.106 17.974 -7.719 1.00 0.00 H new ATOM 0 HD22 ASN A 78 0.117 16.547 -7.394 1.00 0.00 H new ATOM 1146 N LYS A 79 5.158 14.500 -5.660 1.00 0.00 N ATOM 1147 CA LYS A 79 5.863 14.730 -4.405 1.00 0.00 C ATOM 1148 C LYS A 79 6.050 16.222 -4.151 1.00 0.00 C ATOM 1149 O LYS A 79 6.067 16.669 -3.004 1.00 0.00 O ATOM 1150 CB LYS A 79 7.223 14.030 -4.424 1.00 0.00 C ATOM 1151 CG LYS A 79 7.161 12.593 -4.913 1.00 0.00 C ATOM 1152 CD LYS A 79 8.350 11.785 -4.420 1.00 0.00 C ATOM 1153 CE LYS A 79 8.450 10.447 -5.136 1.00 0.00 C ATOM 1154 NZ LYS A 79 7.624 9.399 -4.474 1.00 0.00 N ATOM 0 H LYS A 79 5.742 14.584 -6.492 1.00 0.00 H new ATOM 0 HA LYS A 79 5.260 14.315 -3.597 1.00 0.00 H new ATOM 0 HB2 LYS A 79 7.903 14.593 -5.063 1.00 0.00 H new ATOM 0 HB3 LYS A 79 7.644 14.045 -3.419 1.00 0.00 H new ATOM 0 HG2 LYS A 79 6.237 12.130 -4.568 1.00 0.00 H new ATOM 0 HG3 LYS A 79 7.137 12.579 -6.003 1.00 0.00 H new ATOM 0 HD2 LYS A 79 9.267 12.352 -4.577 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.258 11.619 -3.347 1.00 0.00 H new ATOM 0 HE2 LYS A 79 8.127 10.564 -6.170 1.00 0.00 H new ATOM 0 HE3 LYS A 79 9.491 10.126 -5.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 8.239 8.624 -4.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 7.130 9.811 -3.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 6.926 9.029 -5.150 1.00 0.00 H new ATOM 1168 N ARG A 80 6.189 16.988 -5.228 1.00 0.00 N ATOM 1169 CA ARG A 80 6.375 18.430 -5.122 1.00 0.00 C ATOM 1170 C ARG A 80 5.430 19.025 -4.082 1.00 0.00 C ATOM 1171 O ARG A 80 5.783 19.968 -3.374 1.00 0.00 O ATOM 1172 CB ARG A 80 6.143 19.097 -6.479 1.00 0.00 C ATOM 1173 CG ARG A 80 7.122 18.650 -7.553 1.00 0.00 C ATOM 1174 CD ARG A 80 8.405 19.465 -7.510 1.00 0.00 C ATOM 1175 NE ARG A 80 9.133 19.405 -8.775 1.00 0.00 N ATOM 1176 CZ ARG A 80 10.361 19.886 -8.940 1.00 0.00 C ATOM 1177 NH1 ARG A 80 10.993 20.459 -7.925 1.00 0.00 N ATOM 1178 NH2 ARG A 80 10.958 19.793 -10.121 1.00 0.00 N ATOM 0 H ARG A 80 6.176 16.634 -6.184 1.00 0.00 H new ATOM 0 HA ARG A 80 7.401 18.616 -4.804 1.00 0.00 H new ATOM 0 HB2 ARG A 80 5.128 18.881 -6.812 1.00 0.00 H new ATOM 0 HB3 ARG A 80 6.216 20.178 -6.360 1.00 0.00 H new ATOM 0 HG2 ARG A 80 7.356 17.594 -7.417 1.00 0.00 H new ATOM 0 HG3 ARG A 80 6.658 18.750 -8.534 1.00 0.00 H new ATOM 0 HD2 ARG A 80 8.168 20.503 -7.277 1.00 0.00 H new ATOM 0 HD3 ARG A 80 9.043 19.096 -6.707 1.00 0.00 H new ATOM 0 HE ARG A 80 8.674 18.970 -9.575 1.00 0.00 H new ATOM 0 HH11 ARG A 80 10.537 20.531 -7.016 1.00 0.00 H new ATOM 0 HH12 ARG A 80 11.935 20.828 -8.054 1.00 0.00 H new ATOM 0 HH21 ARG A 80 10.475 19.352 -10.903 1.00 0.00 H new ATOM 0 HH22 ARG A 80 11.900 20.162 -10.247 1.00 0.00 H new ATOM 1192 N VAL A 81 4.226 18.467 -3.997 1.00 0.00 N ATOM 1193 CA VAL A 81 3.230 18.941 -3.044 1.00 0.00 C ATOM 1194 C VAL A 81 3.888 19.429 -1.758 1.00 0.00 C ATOM 1195 O VAL A 81 4.885 18.866 -1.306 1.00 0.00 O ATOM 1196 CB VAL A 81 2.212 17.838 -2.700 1.00 0.00 C ATOM 1197 CG1 VAL A 81 1.273 17.593 -3.871 1.00 0.00 C ATOM 1198 CG2 VAL A 81 2.930 16.556 -2.305 1.00 0.00 C ATOM 0 H VAL A 81 3.917 17.686 -4.577 1.00 0.00 H new ATOM 0 HA VAL A 81 2.708 19.771 -3.519 1.00 0.00 H new ATOM 0 HB VAL A 81 1.615 18.171 -1.851 1.00 0.00 H new ATOM 0 HG11 VAL A 81 0.561 16.810 -3.609 1.00 0.00 H new ATOM 0 HG12 VAL A 81 0.734 18.511 -4.103 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.850 17.281 -4.741 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.196 15.787 -2.065 1.00 0.00 H new ATOM 0 HG22 VAL A 81 3.553 16.218 -3.133 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.557 16.744 -1.433 1.00 0.00 H new ATOM 1208 N SER A 82 3.322 20.479 -1.172 1.00 0.00 N ATOM 1209 CA SER A 82 3.856 21.046 0.062 1.00 0.00 C ATOM 1210 C SER A 82 3.104 20.509 1.276 1.00 0.00 C ATOM 1211 O SER A 82 3.471 20.783 2.418 1.00 0.00 O ATOM 1212 CB SER A 82 3.767 22.573 0.027 1.00 0.00 C ATOM 1213 OG SER A 82 4.465 23.149 1.117 1.00 0.00 O ATOM 0 H SER A 82 2.494 20.955 -1.531 1.00 0.00 H new ATOM 0 HA SER A 82 4.902 20.752 0.145 1.00 0.00 H new ATOM 0 HB2 SER A 82 4.181 22.943 -0.911 1.00 0.00 H new ATOM 0 HB3 SER A 82 2.722 22.880 0.057 1.00 0.00 H new ATOM 0 HG SER A 82 4.510 22.504 1.854 1.00 0.00 H new ATOM 1219 N ARG A 83 2.049 19.743 1.019 1.00 0.00 N ATOM 1220 CA ARG A 83 1.243 19.168 2.090 1.00 0.00 C ATOM 1221 C ARG A 83 1.107 17.658 1.917 1.00 0.00 C ATOM 1222 O ARG A 83 1.268 17.117 0.823 1.00 0.00 O ATOM 1223 CB ARG A 83 -0.142 19.816 2.119 1.00 0.00 C ATOM 1224 CG ARG A 83 -0.709 20.103 0.739 1.00 0.00 C ATOM 1225 CD ARG A 83 -0.200 21.427 0.192 1.00 0.00 C ATOM 1226 NE ARG A 83 -1.028 22.551 0.619 1.00 0.00 N ATOM 1227 CZ ARG A 83 -1.098 23.705 -0.036 1.00 0.00 C ATOM 1228 NH1 ARG A 83 -0.392 23.885 -1.144 1.00 0.00 N ATOM 1229 NH2 ARG A 83 -1.875 24.680 0.416 1.00 0.00 N ATOM 0 H ARG A 83 1.732 19.506 0.079 1.00 0.00 H new ATOM 0 HA ARG A 83 1.748 19.364 3.036 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -0.829 19.162 2.656 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -0.086 20.749 2.681 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.436 19.297 0.057 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -1.798 20.123 0.789 1.00 0.00 H new ATOM 0 HD2 ARG A 83 0.826 21.586 0.524 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -0.179 21.385 -0.897 1.00 0.00 H new ATOM 0 HE ARG A 83 -1.584 22.445 1.468 1.00 0.00 H new ATOM 0 HH11 ARG A 83 0.206 23.137 -1.495 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -0.447 24.772 -1.645 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -2.420 24.545 1.268 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -1.928 25.565 -0.088 1.00 0.00 H new ATOM 1243 N PRO A 84 0.803 16.961 3.022 1.00 0.00 N ATOM 1244 CA PRO A 84 0.638 15.504 3.018 1.00 0.00 C ATOM 1245 C PRO A 84 -0.620 15.065 2.276 1.00 0.00 C ATOM 1246 O PRO A 84 -1.715 15.560 2.543 1.00 0.00 O ATOM 1247 CB PRO A 84 0.531 15.155 4.505 1.00 0.00 C ATOM 1248 CG PRO A 84 0.021 16.398 5.149 1.00 0.00 C ATOM 1249 CD PRO A 84 0.596 17.540 4.359 1.00 0.00 C ATOM 0 HA PRO A 84 1.459 15.002 2.506 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -0.148 14.318 4.667 1.00 0.00 H new ATOM 0 HB3 PRO A 84 1.499 14.865 4.914 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -1.069 16.425 5.137 1.00 0.00 H new ATOM 0 HG3 PRO A 84 0.330 16.451 6.193 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -0.086 18.390 4.327 1.00 0.00 H new ATOM 0 HD3 PRO A 84 1.531 17.897 4.791 1.00 0.00 H new ATOM 1257 N VAL A 85 -0.456 14.133 1.343 1.00 0.00 N ATOM 1258 CA VAL A 85 -1.579 13.626 0.563 1.00 0.00 C ATOM 1259 C VAL A 85 -2.181 12.384 1.211 1.00 0.00 C ATOM 1260 O VAL A 85 -1.483 11.618 1.875 1.00 0.00 O ATOM 1261 CB VAL A 85 -1.153 13.285 -0.877 1.00 0.00 C ATOM 1262 CG1 VAL A 85 -2.362 12.892 -1.713 1.00 0.00 C ATOM 1263 CG2 VAL A 85 -0.418 14.458 -1.507 1.00 0.00 C ATOM 0 H VAL A 85 0.444 13.713 1.109 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.328 14.417 0.535 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.472 12.434 -0.844 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -2.041 12.655 -2.727 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.842 12.019 -1.271 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.070 13.720 -1.741 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.124 14.199 -2.524 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.073 15.329 -1.529 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.471 14.688 -0.920 1.00 0.00 H new ATOM 1273 N GLN A 86 -3.481 12.191 1.012 1.00 0.00 N ATOM 1274 CA GLN A 86 -4.178 11.042 1.578 1.00 0.00 C ATOM 1275 C GLN A 86 -4.514 10.022 0.494 1.00 0.00 C ATOM 1276 O GLN A 86 -5.406 10.243 -0.325 1.00 0.00 O ATOM 1277 CB GLN A 86 -5.457 11.492 2.286 1.00 0.00 C ATOM 1278 CG GLN A 86 -6.381 10.344 2.660 1.00 0.00 C ATOM 1279 CD GLN A 86 -5.839 9.507 3.802 1.00 0.00 C ATOM 1280 OE1 GLN A 86 -5.269 10.034 4.757 1.00 0.00 O ATOM 1281 NE2 GLN A 86 -6.015 8.194 3.709 1.00 0.00 N ATOM 0 H GLN A 86 -4.073 12.815 0.463 1.00 0.00 H new ATOM 0 HA GLN A 86 -3.517 10.569 2.304 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -5.189 12.041 3.189 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -5.995 12.185 1.640 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -7.356 10.743 2.938 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -6.534 9.707 1.789 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -6.493 7.800 2.899 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -5.672 7.580 4.448 1.00 0.00 H new ATOM 1290 N VAL A 87 -3.794 8.905 0.496 1.00 0.00 N ATOM 1291 CA VAL A 87 -4.017 7.851 -0.486 1.00 0.00 C ATOM 1292 C VAL A 87 -4.540 6.582 0.178 1.00 0.00 C ATOM 1293 O VAL A 87 -4.678 6.520 1.400 1.00 0.00 O ATOM 1294 CB VAL A 87 -2.724 7.518 -1.255 1.00 0.00 C ATOM 1295 CG1 VAL A 87 -2.177 8.760 -1.942 1.00 0.00 C ATOM 1296 CG2 VAL A 87 -1.687 6.916 -0.319 1.00 0.00 C ATOM 0 H VAL A 87 -3.051 8.707 1.167 1.00 0.00 H new ATOM 0 HA VAL A 87 -4.763 8.225 -1.187 1.00 0.00 H new ATOM 0 HB VAL A 87 -2.958 6.780 -2.023 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -1.264 8.506 -2.480 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -2.917 9.143 -2.644 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -1.957 9.522 -1.195 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.780 6.687 -0.879 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.454 7.628 0.473 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -2.082 6.001 0.121 1.00 0.00 H new ATOM 1306 N TYR A 88 -4.829 5.572 -0.634 1.00 0.00 N ATOM 1307 CA TYR A 88 -5.340 4.304 -0.125 1.00 0.00 C ATOM 1308 C TYR A 88 -4.708 3.127 -0.863 1.00 0.00 C ATOM 1309 O TYR A 88 -4.236 3.268 -1.991 1.00 0.00 O ATOM 1310 CB TYR A 88 -6.862 4.250 -0.265 1.00 0.00 C ATOM 1311 CG TYR A 88 -7.583 5.296 0.555 1.00 0.00 C ATOM 1312 CD1 TYR A 88 -7.482 6.646 0.240 1.00 0.00 C ATOM 1313 CD2 TYR A 88 -8.366 4.934 1.644 1.00 0.00 C ATOM 1314 CE1 TYR A 88 -8.138 7.604 0.987 1.00 0.00 C ATOM 1315 CE2 TYR A 88 -9.027 5.886 2.396 1.00 0.00 C ATOM 1316 CZ TYR A 88 -8.910 7.220 2.064 1.00 0.00 C ATOM 1317 OH TYR A 88 -9.566 8.172 2.810 1.00 0.00 O ATOM 0 H TYR A 88 -4.718 5.606 -1.647 1.00 0.00 H new ATOM 0 HA TYR A 88 -5.076 4.232 0.930 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -7.127 4.377 -1.315 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -7.211 3.262 0.034 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -6.880 6.951 -0.603 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -8.460 3.891 1.907 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -8.047 8.649 0.730 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -9.632 5.588 3.239 1.00 0.00 H new ATOM 0 HH TYR A 88 -10.066 7.735 3.531 1.00 0.00 H new ATOM 1327 N PHE A 89 -4.704 1.966 -0.217 1.00 0.00 N ATOM 1328 CA PHE A 89 -4.131 0.763 -0.810 1.00 0.00 C ATOM 1329 C PHE A 89 -4.888 -0.481 -0.355 1.00 0.00 C ATOM 1330 O PHE A 89 -5.598 -0.456 0.651 1.00 0.00 O ATOM 1331 CB PHE A 89 -2.653 0.640 -0.435 1.00 0.00 C ATOM 1332 CG PHE A 89 -2.410 0.614 1.047 1.00 0.00 C ATOM 1333 CD1 PHE A 89 -2.604 -0.550 1.774 1.00 0.00 C ATOM 1334 CD2 PHE A 89 -1.986 1.753 1.713 1.00 0.00 C ATOM 1335 CE1 PHE A 89 -2.382 -0.576 3.137 1.00 0.00 C ATOM 1336 CE2 PHE A 89 -1.762 1.732 3.076 1.00 0.00 C ATOM 1337 CZ PHE A 89 -1.959 0.566 3.789 1.00 0.00 C ATOM 0 H PHE A 89 -5.091 1.832 0.717 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.219 0.844 -1.893 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -2.249 -0.271 -0.877 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.105 1.476 -0.870 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.932 -1.447 1.269 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.829 2.667 1.160 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.539 -1.489 3.693 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -1.433 2.627 3.583 1.00 0.00 H new ATOM 0 HZ PHE A 89 -1.783 0.547 4.854 1.00 0.00 H new ATOM 1347 N TYR A 90 -4.732 -1.567 -1.103 1.00 0.00 N ATOM 1348 CA TYR A 90 -5.403 -2.821 -0.780 1.00 0.00 C ATOM 1349 C TYR A 90 -4.559 -4.017 -1.211 1.00 0.00 C ATOM 1350 O TYR A 90 -3.596 -3.873 -1.964 1.00 0.00 O ATOM 1351 CB TYR A 90 -6.774 -2.879 -1.456 1.00 0.00 C ATOM 1352 CG TYR A 90 -6.711 -2.765 -2.963 1.00 0.00 C ATOM 1353 CD1 TYR A 90 -6.488 -1.540 -3.578 1.00 0.00 C ATOM 1354 CD2 TYR A 90 -6.875 -3.884 -3.771 1.00 0.00 C ATOM 1355 CE1 TYR A 90 -6.431 -1.431 -4.954 1.00 0.00 C ATOM 1356 CE2 TYR A 90 -6.818 -3.785 -5.147 1.00 0.00 C ATOM 1357 CZ TYR A 90 -6.596 -2.556 -5.734 1.00 0.00 C ATOM 1358 OH TYR A 90 -6.539 -2.452 -7.105 1.00 0.00 O ATOM 0 H TYR A 90 -4.147 -1.605 -1.938 1.00 0.00 H new ATOM 0 HA TYR A 90 -5.537 -2.865 0.301 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -7.261 -3.817 -1.191 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -7.397 -2.075 -1.065 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -6.357 -0.657 -2.970 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -7.050 -4.847 -3.315 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -6.258 -0.470 -5.416 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -6.946 -4.665 -5.760 1.00 0.00 H new ATOM 0 HH TYR A 90 -6.674 -3.336 -7.506 1.00 0.00 H new ATOM 1368 N VAL A 91 -4.930 -5.199 -0.728 1.00 0.00 N ATOM 1369 CA VAL A 91 -4.210 -6.421 -1.063 1.00 0.00 C ATOM 1370 C VAL A 91 -4.941 -7.211 -2.144 1.00 0.00 C ATOM 1371 O VAL A 91 -6.141 -7.460 -2.039 1.00 0.00 O ATOM 1372 CB VAL A 91 -4.021 -7.319 0.174 1.00 0.00 C ATOM 1373 CG1 VAL A 91 -3.192 -8.545 -0.177 1.00 0.00 C ATOM 1374 CG2 VAL A 91 -3.374 -6.535 1.306 1.00 0.00 C ATOM 0 H VAL A 91 -5.725 -5.335 -0.104 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.231 -6.119 -1.436 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.001 -7.657 0.509 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.069 -9.167 0.710 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.699 -9.117 -0.954 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.213 -8.231 -0.538 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -3.248 -7.184 2.172 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.400 -6.167 0.983 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.010 -5.692 1.574 1.00 0.00 H new ATOM 1384 N SER A 92 -4.208 -7.602 -3.181 1.00 0.00 N ATOM 1385 CA SER A 92 -4.787 -8.361 -4.283 1.00 0.00 C ATOM 1386 C SER A 92 -4.520 -9.854 -4.114 1.00 0.00 C ATOM 1387 O SER A 92 -3.376 -10.302 -4.177 1.00 0.00 O ATOM 1388 CB SER A 92 -4.218 -7.878 -5.618 1.00 0.00 C ATOM 1389 OG SER A 92 -2.803 -7.808 -5.574 1.00 0.00 O ATOM 0 H SER A 92 -3.212 -7.406 -3.281 1.00 0.00 H new ATOM 0 HA SER A 92 -5.865 -8.199 -4.276 1.00 0.00 H new ATOM 0 HB2 SER A 92 -4.527 -8.555 -6.415 1.00 0.00 H new ATOM 0 HB3 SER A 92 -4.627 -6.896 -5.857 1.00 0.00 H new ATOM 0 HG SER A 92 -2.425 -8.685 -5.795 1.00 0.00 H new ATOM 1395 N ASN A 93 -5.585 -10.619 -3.899 1.00 0.00 N ATOM 1396 CA ASN A 93 -5.467 -12.061 -3.720 1.00 0.00 C ATOM 1397 C ASN A 93 -6.365 -12.807 -4.703 1.00 0.00 C ATOM 1398 O ASN A 93 -7.575 -12.902 -4.505 1.00 0.00 O ATOM 1399 CB ASN A 93 -5.830 -12.449 -2.285 1.00 0.00 C ATOM 1400 CG ASN A 93 -4.806 -11.963 -1.278 1.00 0.00 C ATOM 1401 OD1 ASN A 93 -4.058 -11.021 -1.542 1.00 0.00 O ATOM 1402 ND2 ASN A 93 -4.767 -12.606 -0.117 1.00 0.00 N ATOM 0 H ASN A 93 -6.540 -10.264 -3.845 1.00 0.00 H new ATOM 0 HA ASN A 93 -4.432 -12.343 -3.915 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -6.806 -12.034 -2.035 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -5.917 -13.533 -2.216 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -4.098 -12.325 0.600 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -5.406 -13.381 0.058 1.00 0.00 H new ATOM 1409 N GLY A 94 -5.762 -13.335 -5.764 1.00 0.00 N ATOM 1410 CA GLY A 94 -6.521 -14.065 -6.762 1.00 0.00 C ATOM 1411 C GLY A 94 -6.983 -13.180 -7.901 1.00 0.00 C ATOM 1412 O GLY A 94 -6.183 -12.467 -8.507 1.00 0.00 O ATOM 0 H GLY A 94 -4.761 -13.270 -5.950 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -5.908 -14.874 -7.160 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -7.388 -14.525 -6.289 1.00 0.00 H new ATOM 1416 N ARG A 95 -8.278 -13.225 -8.196 1.00 0.00 N ATOM 1417 CA ARG A 95 -8.845 -12.423 -9.273 1.00 0.00 C ATOM 1418 C ARG A 95 -10.076 -11.659 -8.793 1.00 0.00 C ATOM 1419 O ARG A 95 -10.247 -10.480 -9.103 1.00 0.00 O ATOM 1420 CB ARG A 95 -9.217 -13.313 -10.461 1.00 0.00 C ATOM 1421 CG ARG A 95 -10.276 -14.354 -10.134 1.00 0.00 C ATOM 1422 CD ARG A 95 -10.572 -15.242 -11.332 1.00 0.00 C ATOM 1423 NE ARG A 95 -11.681 -16.157 -11.074 1.00 0.00 N ATOM 1424 CZ ARG A 95 -11.558 -17.285 -10.384 1.00 0.00 C ATOM 1425 NH1 ARG A 95 -10.381 -17.636 -9.885 1.00 0.00 N ATOM 1426 NH2 ARG A 95 -12.614 -18.065 -10.191 1.00 0.00 N ATOM 0 H ARG A 95 -8.954 -13.809 -7.704 1.00 0.00 H new ATOM 0 HA ARG A 95 -8.091 -11.702 -9.589 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -9.576 -12.685 -11.276 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -8.321 -13.819 -10.820 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -9.939 -14.968 -9.299 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -11.191 -13.856 -9.814 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -10.809 -14.620 -12.195 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -9.681 -15.815 -11.587 1.00 0.00 H new ATOM 0 HE ARG A 95 -12.600 -15.916 -11.444 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -9.567 -17.039 -10.031 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -10.290 -18.503 -9.355 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -13.522 -17.798 -10.573 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -12.518 -18.931 -9.661 1.00 0.00 H new ATOM 1440 N ARG A 96 -10.929 -12.339 -8.034 1.00 0.00 N ATOM 1441 CA ARG A 96 -12.144 -11.725 -7.512 1.00 0.00 C ATOM 1442 C ARG A 96 -12.000 -11.413 -6.026 1.00 0.00 C ATOM 1443 O ARG A 96 -12.532 -10.417 -5.534 1.00 0.00 O ATOM 1444 CB ARG A 96 -13.344 -12.647 -7.737 1.00 0.00 C ATOM 1445 CG ARG A 96 -14.677 -12.010 -7.380 1.00 0.00 C ATOM 1446 CD ARG A 96 -15.807 -12.570 -8.229 1.00 0.00 C ATOM 1447 NE ARG A 96 -17.118 -12.284 -7.653 1.00 0.00 N ATOM 1448 CZ ARG A 96 -17.595 -12.893 -6.573 1.00 0.00 C ATOM 1449 NH1 ARG A 96 -16.872 -13.816 -5.955 1.00 0.00 N ATOM 1450 NH2 ARG A 96 -18.798 -12.577 -6.109 1.00 0.00 N ATOM 0 H ARG A 96 -10.801 -13.315 -7.767 1.00 0.00 H new ATOM 0 HA ARG A 96 -12.308 -10.790 -8.048 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -13.366 -12.953 -8.783 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -13.213 -13.552 -7.143 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -14.893 -12.182 -6.326 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -14.615 -10.931 -7.521 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -15.751 -12.146 -9.232 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -15.683 -13.648 -8.331 1.00 0.00 H new ATOM 0 HE ARG A 96 -17.699 -11.578 -8.105 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -15.947 -14.060 -6.308 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -17.241 -14.282 -5.126 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -19.356 -11.866 -6.582 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -19.164 -13.045 -5.280 1.00 0.00 H new ATOM 1464 N LYS A 97 -11.278 -12.272 -5.314 1.00 0.00 N ATOM 1465 CA LYS A 97 -11.062 -12.089 -3.883 1.00 0.00 C ATOM 1466 C LYS A 97 -10.105 -10.931 -3.621 1.00 0.00 C ATOM 1467 O LYS A 97 -8.946 -10.966 -4.033 1.00 0.00 O ATOM 1468 CB LYS A 97 -10.508 -13.373 -3.262 1.00 0.00 C ATOM 1469 CG LYS A 97 -11.325 -14.610 -3.592 1.00 0.00 C ATOM 1470 CD LYS A 97 -10.887 -15.806 -2.763 1.00 0.00 C ATOM 1471 CE LYS A 97 -11.989 -16.849 -2.664 1.00 0.00 C ATOM 1472 NZ LYS A 97 -13.087 -16.412 -1.758 1.00 0.00 N ATOM 0 H LYS A 97 -10.832 -13.102 -5.705 1.00 0.00 H new ATOM 0 HA LYS A 97 -12.022 -11.855 -3.423 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -9.485 -13.521 -3.607 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -10.466 -13.254 -2.179 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -12.381 -14.408 -3.412 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -11.222 -14.843 -4.652 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -9.999 -16.254 -3.210 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -10.608 -15.474 -1.763 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -12.394 -17.045 -3.657 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -11.570 -17.787 -2.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -13.693 -17.226 -1.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -12.681 -16.025 -0.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -13.655 -15.680 -2.229 1.00 0.00 H new ATOM 1486 N ARG A 98 -10.598 -9.906 -2.932 1.00 0.00 N ATOM 1487 CA ARG A 98 -9.786 -8.738 -2.615 1.00 0.00 C ATOM 1488 C ARG A 98 -10.075 -8.243 -1.201 1.00 0.00 C ATOM 1489 O ARG A 98 -11.003 -8.715 -0.544 1.00 0.00 O ATOM 1490 CB ARG A 98 -10.049 -7.618 -3.623 1.00 0.00 C ATOM 1491 CG ARG A 98 -9.133 -7.661 -4.835 1.00 0.00 C ATOM 1492 CD ARG A 98 -9.740 -8.481 -5.963 1.00 0.00 C ATOM 1493 NE ARG A 98 -11.131 -8.115 -6.217 1.00 0.00 N ATOM 1494 CZ ARG A 98 -11.494 -7.051 -6.925 1.00 0.00 C ATOM 1495 NH1 ARG A 98 -10.574 -6.252 -7.446 1.00 0.00 N ATOM 1496 NH2 ARG A 98 -12.780 -6.785 -7.113 1.00 0.00 N ATOM 0 H ARG A 98 -11.555 -9.862 -2.583 1.00 0.00 H new ATOM 0 HA ARG A 98 -8.737 -9.029 -2.672 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -11.084 -7.679 -3.958 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -9.932 -6.656 -3.123 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -8.941 -6.646 -5.184 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -8.171 -8.087 -4.551 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -9.155 -8.337 -6.872 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -9.684 -9.540 -5.712 1.00 0.00 H new ATOM 0 HE ARG A 98 -11.864 -8.709 -5.829 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -9.584 -6.453 -7.304 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -10.856 -5.436 -7.989 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -13.491 -7.398 -6.714 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -13.058 -5.968 -7.657 1.00 0.00 H new ATOM 1510 N SER A 99 -9.273 -7.288 -0.738 1.00 0.00 N ATOM 1511 CA SER A 99 -9.440 -6.732 0.600 1.00 0.00 C ATOM 1512 C SER A 99 -9.849 -5.264 0.530 1.00 0.00 C ATOM 1513 O SER A 99 -9.598 -4.569 -0.455 1.00 0.00 O ATOM 1514 CB SER A 99 -8.144 -6.875 1.400 1.00 0.00 C ATOM 1515 OG SER A 99 -7.020 -6.503 0.621 1.00 0.00 O ATOM 0 H SER A 99 -8.502 -6.884 -1.270 1.00 0.00 H new ATOM 0 HA SER A 99 -10.231 -7.288 1.102 1.00 0.00 H new ATOM 0 HB2 SER A 99 -8.194 -6.252 2.293 1.00 0.00 H new ATOM 0 HB3 SER A 99 -8.032 -7.906 1.736 1.00 0.00 H new ATOM 0 HG SER A 99 -6.937 -7.110 -0.144 1.00 0.00 H new ATOM 1521 N PRO A 100 -10.496 -4.779 1.601 1.00 0.00 N ATOM 1522 CA PRO A 100 -10.953 -3.389 1.687 1.00 0.00 C ATOM 1523 C PRO A 100 -9.796 -2.405 1.818 1.00 0.00 C ATOM 1524 O PRO A 100 -8.938 -2.551 2.689 1.00 0.00 O ATOM 1525 CB PRO A 100 -11.812 -3.377 2.954 1.00 0.00 C ATOM 1526 CG PRO A 100 -11.283 -4.497 3.782 1.00 0.00 C ATOM 1527 CD PRO A 100 -10.829 -5.551 2.810 1.00 0.00 C ATOM 0 HA PRO A 100 -11.488 -3.079 0.789 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -11.731 -2.425 3.478 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -12.866 -3.522 2.719 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -10.457 -4.162 4.409 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -12.052 -4.886 4.449 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -9.966 -6.100 3.187 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -11.613 -6.283 2.616 1.00 0.00 H new ATOM 1535 N THR A 101 -9.779 -1.400 0.947 1.00 0.00 N ATOM 1536 CA THR A 101 -8.727 -0.392 0.965 1.00 0.00 C ATOM 1537 C THR A 101 -8.501 0.142 2.374 1.00 0.00 C ATOM 1538 O THR A 101 -9.351 -0.014 3.250 1.00 0.00 O ATOM 1539 CB THR A 101 -9.061 0.785 0.029 1.00 0.00 C ATOM 1540 OG1 THR A 101 -10.277 1.414 0.449 1.00 0.00 O ATOM 1541 CG2 THR A 101 -9.199 0.311 -1.410 1.00 0.00 C ATOM 0 H THR A 101 -10.482 -1.263 0.221 1.00 0.00 H new ATOM 0 HA THR A 101 -7.817 -0.879 0.614 1.00 0.00 H new ATOM 0 HB THR A 101 -8.244 1.504 0.080 1.00 0.00 H new ATOM 0 HG1 THR A 101 -10.482 2.162 -0.150 1.00 0.00 H new ATOM 0 HG21 THR A 101 -9.435 1.160 -2.052 1.00 0.00 H new ATOM 0 HG22 THR A 101 -8.262 -0.141 -1.736 1.00 0.00 H new ATOM 0 HG23 THR A 101 -9.999 -0.426 -1.475 1.00 0.00 H new ATOM 1549 N GLN A 102 -7.350 0.773 2.586 1.00 0.00 N ATOM 1550 CA GLN A 102 -7.013 1.330 3.890 1.00 0.00 C ATOM 1551 C GLN A 102 -6.689 2.816 3.780 1.00 0.00 C ATOM 1552 O GLN A 102 -6.318 3.303 2.712 1.00 0.00 O ATOM 1553 CB GLN A 102 -5.826 0.580 4.498 1.00 0.00 C ATOM 1554 CG GLN A 102 -6.145 -0.857 4.879 1.00 0.00 C ATOM 1555 CD GLN A 102 -7.359 -0.966 5.780 1.00 0.00 C ATOM 1556 OE1 GLN A 102 -7.315 -0.583 6.949 1.00 0.00 O ATOM 1557 NE2 GLN A 102 -8.452 -1.492 5.240 1.00 0.00 N ATOM 0 H GLN A 102 -6.636 0.911 1.871 1.00 0.00 H new ATOM 0 HA GLN A 102 -7.879 1.213 4.541 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -5.001 0.584 3.786 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -5.484 1.115 5.384 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -6.316 -1.440 3.974 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -5.283 -1.295 5.382 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -8.444 -1.796 4.267 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -9.300 -1.592 5.799 1.00 0.00 H new ATOM 1566 N SER A 103 -6.831 3.532 4.891 1.00 0.00 N ATOM 1567 CA SER A 103 -6.556 4.964 4.919 1.00 0.00 C ATOM 1568 C SER A 103 -5.083 5.229 5.210 1.00 0.00 C ATOM 1569 O SER A 103 -4.576 4.879 6.276 1.00 0.00 O ATOM 1570 CB SER A 103 -7.428 5.651 5.971 1.00 0.00 C ATOM 1571 OG SER A 103 -8.659 6.078 5.414 1.00 0.00 O ATOM 0 H SER A 103 -7.135 3.144 5.784 1.00 0.00 H new ATOM 0 HA SER A 103 -6.793 5.374 3.937 1.00 0.00 H new ATOM 0 HB2 SER A 103 -7.617 4.964 6.796 1.00 0.00 H new ATOM 0 HB3 SER A 103 -6.896 6.508 6.385 1.00 0.00 H new ATOM 0 HG SER A 103 -8.542 6.251 4.456 1.00 0.00 H new ATOM 1577 N PHE A 104 -4.400 5.851 4.255 1.00 0.00 N ATOM 1578 CA PHE A 104 -2.983 6.163 4.407 1.00 0.00 C ATOM 1579 C PHE A 104 -2.709 7.625 4.068 1.00 0.00 C ATOM 1580 O PHE A 104 -3.547 8.303 3.472 1.00 0.00 O ATOM 1581 CB PHE A 104 -2.140 5.253 3.512 1.00 0.00 C ATOM 1582 CG PHE A 104 -0.771 4.972 4.063 1.00 0.00 C ATOM 1583 CD1 PHE A 104 -0.617 4.256 5.239 1.00 0.00 C ATOM 1584 CD2 PHE A 104 0.362 5.423 3.405 1.00 0.00 C ATOM 1585 CE1 PHE A 104 0.641 3.997 5.749 1.00 0.00 C ATOM 1586 CE2 PHE A 104 1.623 5.167 3.909 1.00 0.00 C ATOM 1587 CZ PHE A 104 1.762 4.452 5.082 1.00 0.00 C ATOM 0 H PHE A 104 -4.804 6.149 3.367 1.00 0.00 H new ATOM 0 HA PHE A 104 -2.708 5.992 5.448 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -2.666 4.309 3.369 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -2.040 5.714 2.530 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -1.490 3.896 5.763 1.00 0.00 H new ATOM 0 HD2 PHE A 104 0.258 5.982 2.487 1.00 0.00 H new ATOM 0 HE1 PHE A 104 0.748 3.440 6.668 1.00 0.00 H new ATOM 0 HE2 PHE A 104 2.498 5.525 3.387 1.00 0.00 H new ATOM 0 HZ PHE A 104 2.746 4.249 5.478 1.00 0.00 H new ATOM 1597 N ARG A 105 -1.531 8.105 4.451 1.00 0.00 N ATOM 1598 CA ARG A 105 -1.146 9.486 4.190 1.00 0.00 C ATOM 1599 C ARG A 105 0.367 9.611 4.042 1.00 0.00 C ATOM 1600 O ARG A 105 1.127 9.058 4.837 1.00 0.00 O ATOM 1601 CB ARG A 105 -1.635 10.397 5.318 1.00 0.00 C ATOM 1602 CG ARG A 105 -1.291 11.862 5.111 1.00 0.00 C ATOM 1603 CD ARG A 105 -1.711 12.707 6.304 1.00 0.00 C ATOM 1604 NE ARG A 105 -0.691 12.724 7.349 1.00 0.00 N ATOM 1605 CZ ARG A 105 -0.916 13.145 8.588 1.00 0.00 C ATOM 1606 NH1 ARG A 105 -2.119 13.581 8.936 1.00 0.00 N ATOM 1607 NH2 ARG A 105 0.064 13.129 9.484 1.00 0.00 N ATOM 0 H ARG A 105 -0.826 7.557 4.944 1.00 0.00 H new ATOM 0 HA ARG A 105 -1.612 9.795 3.254 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -2.716 10.296 5.412 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -1.201 10.060 6.259 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -0.218 11.966 4.950 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -1.785 12.229 4.212 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -1.909 13.727 5.974 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -2.643 12.318 6.714 1.00 0.00 H new ATOM 0 HE ARG A 105 0.245 12.394 7.114 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -2.875 13.594 8.251 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -2.289 13.904 9.889 1.00 0.00 H new ATOM 0 HH21 ARG A 105 0.990 12.793 9.221 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -0.110 13.453 10.436 1.00 0.00 H new ATOM 1621 N PHE A 106 0.798 10.340 3.018 1.00 0.00 N ATOM 1622 CA PHE A 106 2.221 10.536 2.764 1.00 0.00 C ATOM 1623 C PHE A 106 2.681 11.900 3.271 1.00 0.00 C ATOM 1624 O PHE A 106 2.040 12.919 3.014 1.00 0.00 O ATOM 1625 CB PHE A 106 2.516 10.410 1.268 1.00 0.00 C ATOM 1626 CG PHE A 106 2.177 9.060 0.702 1.00 0.00 C ATOM 1627 CD1 PHE A 106 2.523 7.903 1.380 1.00 0.00 C ATOM 1628 CD2 PHE A 106 1.513 8.949 -0.509 1.00 0.00 C ATOM 1629 CE1 PHE A 106 2.213 6.660 0.863 1.00 0.00 C ATOM 1630 CE2 PHE A 106 1.199 7.709 -1.032 1.00 0.00 C ATOM 1631 CZ PHE A 106 1.551 6.563 -0.346 1.00 0.00 C ATOM 0 H PHE A 106 0.183 10.805 2.351 1.00 0.00 H new ATOM 0 HA PHE A 106 2.770 9.763 3.302 1.00 0.00 H new ATOM 0 HB2 PHE A 106 1.954 11.173 0.729 1.00 0.00 H new ATOM 0 HB3 PHE A 106 3.573 10.612 1.096 1.00 0.00 H new ATOM 0 HD1 PHE A 106 3.042 7.973 2.325 1.00 0.00 H new ATOM 0 HD2 PHE A 106 1.238 9.842 -1.051 1.00 0.00 H new ATOM 0 HE1 PHE A 106 2.488 5.766 1.403 1.00 0.00 H new ATOM 0 HE2 PHE A 106 0.679 7.636 -1.976 1.00 0.00 H new ATOM 0 HZ PHE A 106 1.309 5.593 -0.754 1.00 0.00 H new ATOM 1641 N LEU A 107 3.796 11.910 3.994 1.00 0.00 N ATOM 1642 CA LEU A 107 4.343 13.147 4.539 1.00 0.00 C ATOM 1643 C LEU A 107 5.344 13.772 3.572 1.00 0.00 C ATOM 1644 O LEU A 107 6.140 13.084 2.933 1.00 0.00 O ATOM 1645 CB LEU A 107 5.017 12.880 5.886 1.00 0.00 C ATOM 1646 CG LEU A 107 4.240 11.995 6.861 1.00 0.00 C ATOM 1647 CD1 LEU A 107 5.085 11.682 8.087 1.00 0.00 C ATOM 1648 CD2 LEU A 107 2.936 12.666 7.267 1.00 0.00 C ATOM 0 H LEU A 107 4.338 11.075 4.216 1.00 0.00 H new ATOM 0 HA LEU A 107 3.520 13.847 4.684 1.00 0.00 H new ATOM 0 HB2 LEU A 107 5.986 12.417 5.699 1.00 0.00 H new ATOM 0 HB3 LEU A 107 5.209 13.838 6.370 1.00 0.00 H new ATOM 0 HG LEU A 107 4.002 11.057 6.360 1.00 0.00 H new ATOM 0 HD11 LEU A 107 4.516 11.051 8.770 1.00 0.00 H new ATOM 0 HD12 LEU A 107 5.991 11.160 7.781 1.00 0.00 H new ATOM 0 HD13 LEU A 107 5.354 12.611 8.590 1.00 0.00 H new ATOM 0 HD21 LEU A 107 2.396 12.022 7.961 1.00 0.00 H new ATOM 0 HD22 LEU A 107 3.152 13.619 7.750 1.00 0.00 H new ATOM 0 HD23 LEU A 107 2.324 12.838 6.381 1.00 0.00 H new ATOM 1660 N PRO A 108 5.305 15.108 3.462 1.00 0.00 N ATOM 1661 CA PRO A 108 6.203 15.856 2.577 1.00 0.00 C ATOM 1662 C PRO A 108 7.647 15.841 3.069 1.00 0.00 C ATOM 1663 O PRO A 108 7.913 16.062 4.250 1.00 0.00 O ATOM 1664 CB PRO A 108 5.640 17.278 2.619 1.00 0.00 C ATOM 1665 CG PRO A 108 4.930 17.367 3.926 1.00 0.00 C ATOM 1666 CD PRO A 108 4.382 15.992 4.193 1.00 0.00 C ATOM 0 HA PRO A 108 6.239 15.426 1.576 1.00 0.00 H new ATOM 0 HB2 PRO A 108 6.435 18.021 2.549 1.00 0.00 H new ATOM 0 HB3 PRO A 108 4.960 17.459 1.786 1.00 0.00 H new ATOM 0 HG2 PRO A 108 5.610 17.677 4.719 1.00 0.00 H new ATOM 0 HG3 PRO A 108 4.129 18.105 3.886 1.00 0.00 H new ATOM 0 HD2 PRO A 108 4.368 15.765 5.259 1.00 0.00 H new ATOM 0 HD3 PRO A 108 3.358 15.891 3.832 1.00 0.00 H new ATOM 1674 N VAL A 109 8.576 15.578 2.155 1.00 0.00 N ATOM 1675 CA VAL A 109 9.993 15.535 2.496 1.00 0.00 C ATOM 1676 C VAL A 109 10.646 16.898 2.300 1.00 0.00 C ATOM 1677 O VAL A 109 11.870 17.003 2.206 1.00 0.00 O ATOM 1678 CB VAL A 109 10.743 14.492 1.647 1.00 0.00 C ATOM 1679 CG1 VAL A 109 12.134 14.245 2.211 1.00 0.00 C ATOM 1680 CG2 VAL A 109 9.950 13.195 1.574 1.00 0.00 C ATOM 0 H VAL A 109 8.373 15.392 1.173 1.00 0.00 H new ATOM 0 HA VAL A 109 10.058 15.252 3.547 1.00 0.00 H new ATOM 0 HB VAL A 109 10.851 14.882 0.635 1.00 0.00 H new ATOM 0 HG11 VAL A 109 12.649 13.505 1.598 1.00 0.00 H new ATOM 0 HG12 VAL A 109 12.699 15.177 2.206 1.00 0.00 H new ATOM 0 HG13 VAL A 109 12.052 13.876 3.233 1.00 0.00 H new ATOM 0 HG21 VAL A 109 10.495 12.469 0.970 1.00 0.00 H new ATOM 0 HG22 VAL A 109 9.809 12.798 2.579 1.00 0.00 H new ATOM 0 HG23 VAL A 109 8.978 13.388 1.120 1.00 0.00 H new