USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 834 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 5 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 25:sc= 0.146 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 13:sc= 0.464 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.12) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.076) USER MOD Single : A 18 THR OG1 : rot 170:sc= -0.605 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -164:sc=-0.00961 (180deg=-0.14) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= -3.85! C(o=-3.8!,f=-4.3!) USER MOD Single : A 33 HIS : no HD1:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00458) USER MOD Single : A 37 TYR OH : rot 30:sc= -0.87 USER MOD Single : A 39 ASN : amide:sc= -3.37! K(o=-3.4!,f=-1.5) USER MOD Single : A 40 CYS SG : rot 180:sc= -2.23 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.0445 X(o=-0.044,f=0) USER MOD Single : A 57 ASN : amide:sc= -0.528 K(o=-0.53,f=-3!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.0325 K(o=-0.032,f=-0.69) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 THR OG1 : rot 90:sc= -0.534 USER MOD Single : A 71 GLN : amide:sc= -0.0443 X(o=-0.044,f=0) USER MOD Single : A 75 LYS NZ :NH3+ -140:sc= 0.113 (180deg=-0.414) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.55 K(o=-0.55,f=0) USER MOD Single : A 80 HIS : no HD1:sc= -2.56! K(o=-2.6!,f=-1.4) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -0.0244 K(o=-0.024,f=-1.6!) USER MOD Single : A 97 ASN : amide:sc= -1.27 K(o=-1.3,f=-0.68) USER MOD Single : A 98 ASN : amide:sc= -1.98! K(o=-2!,f=-0.46) USER MOD Single : A 99 GLN : amide:sc= -0.049 K(o=-0.049,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 31.045 -12.783 -6.005 1.00 0.00 N ATOM 2 CA GLY A 1 30.009 -12.141 -6.792 1.00 0.00 C ATOM 3 C GLY A 1 29.360 -10.982 -6.062 1.00 0.00 C ATOM 4 O GLY A 1 28.137 -10.924 -5.938 1.00 0.00 O ATOM 0 H1 GLY A 1 31.457 -13.568 -6.548 1.00 0.00 H new ATOM 0 H2 GLY A 1 31.788 -12.091 -5.779 1.00 0.00 H new ATOM 0 H3 GLY A 1 30.634 -13.150 -5.123 1.00 0.00 H new ATOM 0 HA2 GLY A 1 30.438 -11.782 -7.728 1.00 0.00 H new ATOM 0 HA3 GLY A 1 29.247 -12.876 -7.051 1.00 0.00 H new ATOM 8 N SER A 2 30.181 -10.056 -5.578 1.00 0.00 N ATOM 9 CA SER A 2 29.681 -8.895 -4.851 1.00 0.00 C ATOM 10 C SER A 2 28.911 -7.963 -5.781 1.00 0.00 C ATOM 11 O SER A 2 29.404 -7.580 -6.842 1.00 0.00 O ATOM 12 CB SER A 2 30.838 -8.138 -4.197 1.00 0.00 C ATOM 13 OG SER A 2 31.712 -7.599 -5.173 1.00 0.00 O ATOM 0 H SER A 2 31.196 -10.087 -5.676 1.00 0.00 H new ATOM 0 HA SER A 2 29.003 -9.248 -4.074 1.00 0.00 H new ATOM 0 HB2 SER A 2 30.445 -7.335 -3.573 1.00 0.00 H new ATOM 0 HB3 SER A 2 31.391 -8.810 -3.540 1.00 0.00 H new ATOM 0 HG SER A 2 31.223 -7.467 -6.012 1.00 0.00 H new ATOM 19 N SER A 3 27.698 -7.601 -5.375 1.00 0.00 N ATOM 20 CA SER A 3 26.856 -6.717 -6.173 1.00 0.00 C ATOM 21 C SER A 3 27.046 -5.262 -5.754 1.00 0.00 C ATOM 22 O SER A 3 27.328 -4.398 -6.583 1.00 0.00 O ATOM 23 CB SER A 3 25.385 -7.113 -6.031 1.00 0.00 C ATOM 24 OG SER A 3 25.163 -8.429 -6.506 1.00 0.00 O ATOM 0 H SER A 3 27.276 -7.906 -4.498 1.00 0.00 H new ATOM 0 HA SER A 3 27.152 -6.818 -7.217 1.00 0.00 H new ATOM 0 HB2 SER A 3 25.086 -7.045 -4.985 1.00 0.00 H new ATOM 0 HB3 SER A 3 24.761 -6.413 -6.586 1.00 0.00 H new ATOM 0 HG SER A 3 24.216 -8.659 -6.403 1.00 0.00 H new ATOM 30 N GLY A 4 26.890 -5.000 -4.460 1.00 0.00 N ATOM 31 CA GLY A 4 27.047 -3.650 -3.952 1.00 0.00 C ATOM 32 C GLY A 4 25.839 -2.779 -4.236 1.00 0.00 C ATOM 33 O GLY A 4 25.332 -2.755 -5.358 1.00 0.00 O ATOM 0 H GLY A 4 26.658 -5.699 -3.754 1.00 0.00 H new ATOM 0 HA2 GLY A 4 27.219 -3.688 -2.876 1.00 0.00 H new ATOM 0 HA3 GLY A 4 27.931 -3.197 -4.400 1.00 0.00 H new ATOM 37 N SER A 5 25.375 -2.063 -3.217 1.00 0.00 N ATOM 38 CA SER A 5 24.215 -1.191 -3.360 1.00 0.00 C ATOM 39 C SER A 5 24.637 0.275 -3.381 1.00 0.00 C ATOM 40 O SER A 5 25.781 0.607 -3.073 1.00 0.00 O ATOM 41 CB SER A 5 23.225 -1.433 -2.219 1.00 0.00 C ATOM 42 OG SER A 5 21.928 -0.977 -2.565 1.00 0.00 O ATOM 0 H SER A 5 25.785 -2.070 -2.283 1.00 0.00 H new ATOM 0 HA SER A 5 23.730 -1.425 -4.308 1.00 0.00 H new ATOM 0 HB2 SER A 5 23.189 -2.497 -1.983 1.00 0.00 H new ATOM 0 HB3 SER A 5 23.567 -0.919 -1.321 1.00 0.00 H new ATOM 0 HG SER A 5 21.313 -1.144 -1.821 1.00 0.00 H new ATOM 48 N SER A 6 23.703 1.147 -3.748 1.00 0.00 N ATOM 49 CA SER A 6 23.978 2.578 -3.814 1.00 0.00 C ATOM 50 C SER A 6 22.880 3.374 -3.116 1.00 0.00 C ATOM 51 O SER A 6 21.696 3.209 -3.408 1.00 0.00 O ATOM 52 CB SER A 6 24.103 3.028 -5.270 1.00 0.00 C ATOM 53 OG SER A 6 22.842 3.020 -5.917 1.00 0.00 O ATOM 0 H SER A 6 22.750 0.888 -4.004 1.00 0.00 H new ATOM 0 HA SER A 6 24.921 2.766 -3.301 1.00 0.00 H new ATOM 0 HB2 SER A 6 24.529 4.031 -5.309 1.00 0.00 H new ATOM 0 HB3 SER A 6 24.791 2.369 -5.800 1.00 0.00 H new ATOM 0 HG SER A 6 22.131 2.934 -5.248 1.00 0.00 H new ATOM 59 N GLY A 7 23.282 4.240 -2.190 1.00 0.00 N ATOM 60 CA GLY A 7 22.321 5.050 -1.464 1.00 0.00 C ATOM 61 C GLY A 7 21.701 4.307 -0.298 1.00 0.00 C ATOM 62 O GLY A 7 20.484 4.332 -0.113 1.00 0.00 O ATOM 0 H GLY A 7 24.256 4.395 -1.930 1.00 0.00 H new ATOM 0 HA2 GLY A 7 22.813 5.950 -1.097 1.00 0.00 H new ATOM 0 HA3 GLY A 7 21.534 5.372 -2.145 1.00 0.00 H new ATOM 66 N TYR A 8 22.539 3.643 0.491 1.00 0.00 N ATOM 67 CA TYR A 8 22.065 2.886 1.644 1.00 0.00 C ATOM 68 C TYR A 8 20.873 3.578 2.297 1.00 0.00 C ATOM 69 O TYR A 8 19.827 2.965 2.511 1.00 0.00 O ATOM 70 CB TYR A 8 23.191 2.714 2.664 1.00 0.00 C ATOM 71 CG TYR A 8 24.052 3.945 2.830 1.00 0.00 C ATOM 72 CD1 TYR A 8 25.100 4.208 1.956 1.00 0.00 C ATOM 73 CD2 TYR A 8 23.818 4.847 3.861 1.00 0.00 C ATOM 74 CE1 TYR A 8 25.889 5.332 2.104 1.00 0.00 C ATOM 75 CE2 TYR A 8 24.601 5.975 4.015 1.00 0.00 C ATOM 76 CZ TYR A 8 25.636 6.212 3.135 1.00 0.00 C ATOM 77 OH TYR A 8 26.419 7.334 3.285 1.00 0.00 O ATOM 0 H TYR A 8 23.549 3.614 0.353 1.00 0.00 H new ATOM 0 HA TYR A 8 21.745 1.904 1.296 1.00 0.00 H new ATOM 0 HB2 TYR A 8 22.758 2.451 3.629 1.00 0.00 H new ATOM 0 HB3 TYR A 8 23.821 1.879 2.359 1.00 0.00 H new ATOM 0 HD1 TYR A 8 25.301 3.521 1.147 1.00 0.00 H new ATOM 0 HD2 TYR A 8 23.010 4.663 4.554 1.00 0.00 H new ATOM 0 HE1 TYR A 8 26.700 5.521 1.416 1.00 0.00 H new ATOM 0 HE2 TYR A 8 24.404 6.667 4.820 1.00 0.00 H new ATOM 0 HH TYR A 8 26.108 7.849 4.058 1.00 0.00 H new ATOM 87 N ARG A 9 21.039 4.858 2.611 1.00 0.00 N ATOM 88 CA ARG A 9 19.978 5.634 3.240 1.00 0.00 C ATOM 89 C ARG A 9 18.658 5.456 2.495 1.00 0.00 C ATOM 90 O ARG A 9 17.637 5.118 3.093 1.00 0.00 O ATOM 91 CB ARG A 9 20.356 7.116 3.282 1.00 0.00 C ATOM 92 CG ARG A 9 21.435 7.441 4.301 1.00 0.00 C ATOM 93 CD ARG A 9 21.362 8.893 4.747 1.00 0.00 C ATOM 94 NE ARG A 9 20.278 9.120 5.699 1.00 0.00 N ATOM 95 CZ ARG A 9 20.296 8.678 6.951 1.00 0.00 C ATOM 96 NH1 ARG A 9 21.336 7.989 7.400 1.00 0.00 N ATOM 97 NH2 ARG A 9 19.271 8.924 7.757 1.00 0.00 N ATOM 0 H ARG A 9 21.899 5.380 2.440 1.00 0.00 H new ATOM 0 HA ARG A 9 19.852 5.269 4.259 1.00 0.00 H new ATOM 0 HB2 ARG A 9 20.697 7.423 2.293 1.00 0.00 H new ATOM 0 HB3 ARG A 9 19.466 7.703 3.508 1.00 0.00 H new ATOM 0 HG2 ARG A 9 21.328 6.788 5.167 1.00 0.00 H new ATOM 0 HG3 ARG A 9 22.416 7.241 3.870 1.00 0.00 H new ATOM 0 HD2 ARG A 9 22.310 9.180 5.202 1.00 0.00 H new ATOM 0 HD3 ARG A 9 21.219 9.533 3.876 1.00 0.00 H new ATOM 0 HE ARG A 9 19.463 9.647 5.385 1.00 0.00 H new ATOM 0 HH11 ARG A 9 22.125 7.797 6.783 1.00 0.00 H new ATOM 0 HH12 ARG A 9 21.347 7.651 8.362 1.00 0.00 H new ATOM 0 HH21 ARG A 9 18.469 9.453 7.415 1.00 0.00 H new ATOM 0 HH22 ARG A 9 19.285 8.584 8.719 1.00 0.00 H new ATOM 111 N ALA A 10 18.688 5.686 1.186 1.00 0.00 N ATOM 112 CA ALA A 10 17.496 5.549 0.359 1.00 0.00 C ATOM 113 C ALA A 10 17.001 4.107 0.344 1.00 0.00 C ATOM 114 O ALA A 10 15.796 3.852 0.379 1.00 0.00 O ATOM 115 CB ALA A 10 17.778 6.028 -1.057 1.00 0.00 C ATOM 0 H ALA A 10 19.525 5.968 0.676 1.00 0.00 H new ATOM 0 HA ALA A 10 16.711 6.170 0.791 1.00 0.00 H new ATOM 0 HB1 ALA A 10 16.879 5.920 -1.664 1.00 0.00 H new ATOM 0 HB2 ALA A 10 18.076 7.076 -1.034 1.00 0.00 H new ATOM 0 HB3 ALA A 10 18.581 5.432 -1.490 1.00 0.00 H new ATOM 121 N THR A 11 17.938 3.165 0.290 1.00 0.00 N ATOM 122 CA THR A 11 17.597 1.748 0.268 1.00 0.00 C ATOM 123 C THR A 11 16.818 1.351 1.517 1.00 0.00 C ATOM 124 O THR A 11 15.740 0.762 1.428 1.00 0.00 O ATOM 125 CB THR A 11 18.857 0.869 0.161 1.00 0.00 C ATOM 126 OG1 THR A 11 19.518 1.110 -1.086 1.00 0.00 O ATOM 127 CG2 THR A 11 18.499 -0.605 0.274 1.00 0.00 C ATOM 0 H THR A 11 18.939 3.358 0.261 1.00 0.00 H new ATOM 0 HA THR A 11 16.974 1.586 -0.612 1.00 0.00 H new ATOM 0 HB THR A 11 19.525 1.129 0.982 1.00 0.00 H new ATOM 0 HG1 THR A 11 20.319 0.549 -1.145 1.00 0.00 H new ATOM 0 HG21 THR A 11 19.405 -1.206 0.196 1.00 0.00 H new ATOM 0 HG22 THR A 11 18.022 -0.791 1.236 1.00 0.00 H new ATOM 0 HG23 THR A 11 17.813 -0.875 -0.529 1.00 0.00 H new ATOM 135 N LYS A 12 17.370 1.676 2.681 1.00 0.00 N ATOM 136 CA LYS A 12 16.726 1.354 3.949 1.00 0.00 C ATOM 137 C LYS A 12 15.331 1.967 4.022 1.00 0.00 C ATOM 138 O LYS A 12 14.365 1.296 4.388 1.00 0.00 O ATOM 139 CB LYS A 12 17.577 1.856 5.118 1.00 0.00 C ATOM 140 CG LYS A 12 18.586 0.837 5.617 1.00 0.00 C ATOM 141 CD LYS A 12 19.833 0.815 4.749 1.00 0.00 C ATOM 142 CE LYS A 12 21.019 0.219 5.492 1.00 0.00 C ATOM 143 NZ LYS A 12 22.051 -0.309 4.556 1.00 0.00 N ATOM 0 H LYS A 12 18.262 2.162 2.773 1.00 0.00 H new ATOM 0 HA LYS A 12 16.631 0.270 4.015 1.00 0.00 H new ATOM 0 HB2 LYS A 12 18.106 2.758 4.810 1.00 0.00 H new ATOM 0 HB3 LYS A 12 16.920 2.137 5.941 1.00 0.00 H new ATOM 0 HG2 LYS A 12 18.862 1.070 6.645 1.00 0.00 H new ATOM 0 HG3 LYS A 12 18.130 -0.153 5.626 1.00 0.00 H new ATOM 0 HD2 LYS A 12 19.639 0.235 3.846 1.00 0.00 H new ATOM 0 HD3 LYS A 12 20.074 1.829 4.431 1.00 0.00 H new ATOM 0 HE2 LYS A 12 21.465 0.979 6.133 1.00 0.00 H new ATOM 0 HE3 LYS A 12 20.674 -0.584 6.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 22.943 -0.455 5.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 21.728 -1.214 4.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 22.202 0.373 3.786 1.00 0.00 H new ATOM 157 N LEU A 13 15.232 3.245 3.672 1.00 0.00 N ATOM 158 CA LEU A 13 13.955 3.948 3.696 1.00 0.00 C ATOM 159 C LEU A 13 12.933 3.253 2.801 1.00 0.00 C ATOM 160 O LEU A 13 11.889 2.801 3.270 1.00 0.00 O ATOM 161 CB LEU A 13 14.140 5.399 3.247 1.00 0.00 C ATOM 162 CG LEU A 13 13.118 6.403 3.781 1.00 0.00 C ATOM 163 CD1 LEU A 13 13.611 7.827 3.577 1.00 0.00 C ATOM 164 CD2 LEU A 13 11.769 6.202 3.106 1.00 0.00 C ATOM 0 H LEU A 13 16.021 3.815 3.368 1.00 0.00 H new ATOM 0 HA LEU A 13 13.581 3.936 4.720 1.00 0.00 H new ATOM 0 HB2 LEU A 13 15.134 5.728 3.549 1.00 0.00 H new ATOM 0 HB3 LEU A 13 14.112 5.427 2.158 1.00 0.00 H new ATOM 0 HG LEU A 13 12.995 6.233 4.851 1.00 0.00 H new ATOM 0 HD11 LEU A 13 12.870 8.527 3.963 1.00 0.00 H new ATOM 0 HD12 LEU A 13 14.553 7.966 4.108 1.00 0.00 H new ATOM 0 HD13 LEU A 13 13.764 8.010 2.513 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.054 6.925 3.499 1.00 0.00 H new ATOM 0 HD22 LEU A 13 11.875 6.344 2.031 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.410 5.192 3.305 1.00 0.00 H new ATOM 176 N TRP A 14 13.244 3.170 1.512 1.00 0.00 N ATOM 177 CA TRP A 14 12.353 2.528 0.552 1.00 0.00 C ATOM 178 C TRP A 14 12.015 1.107 0.989 1.00 0.00 C ATOM 179 O TRP A 14 10.847 0.762 1.160 1.00 0.00 O ATOM 180 CB TRP A 14 12.995 2.509 -0.836 1.00 0.00 C ATOM 181 CG TRP A 14 12.238 1.681 -1.830 1.00 0.00 C ATOM 182 CD1 TRP A 14 12.477 0.378 -2.162 1.00 0.00 C ATOM 183 CD2 TRP A 14 11.121 2.101 -2.620 1.00 0.00 C ATOM 184 NE1 TRP A 14 11.575 -0.038 -3.112 1.00 0.00 N ATOM 185 CE2 TRP A 14 10.732 1.000 -3.409 1.00 0.00 C ATOM 186 CE3 TRP A 14 10.409 3.298 -2.737 1.00 0.00 C ATOM 187 CZ2 TRP A 14 9.665 1.064 -4.302 1.00 0.00 C ATOM 188 CZ3 TRP A 14 9.351 3.360 -3.623 1.00 0.00 C ATOM 189 CH2 TRP A 14 8.986 2.249 -4.396 1.00 0.00 C ATOM 0 H TRP A 14 14.105 3.539 1.108 1.00 0.00 H new ATOM 0 HA TRP A 14 11.429 3.104 0.509 1.00 0.00 H new ATOM 0 HB2 TRP A 14 13.070 3.531 -1.208 1.00 0.00 H new ATOM 0 HB3 TRP A 14 14.012 2.124 -0.753 1.00 0.00 H new ATOM 0 HD1 TRP A 14 13.260 -0.235 -1.740 1.00 0.00 H new ATOM 0 HE1 TRP A 14 11.539 -0.969 -3.528 1.00 0.00 H new ATOM 0 HE3 TRP A 14 10.681 4.159 -2.145 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 9.383 0.209 -4.899 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 8.795 4.281 -3.722 1.00 0.00 H new ATOM 0 HH2 TRP A 14 8.153 2.329 -5.079 1.00 0.00 H new ATOM 200 N ASN A 15 13.046 0.287 1.168 1.00 0.00 N ATOM 201 CA ASN A 15 12.857 -1.098 1.585 1.00 0.00 C ATOM 202 C ASN A 15 11.959 -1.178 2.816 1.00 0.00 C ATOM 203 O ASN A 15 11.183 -2.120 2.970 1.00 0.00 O ATOM 204 CB ASN A 15 14.208 -1.752 1.882 1.00 0.00 C ATOM 205 CG ASN A 15 14.183 -3.253 1.668 1.00 0.00 C ATOM 206 OD1 ASN A 15 13.374 -3.963 2.267 1.00 0.00 O ATOM 207 ND2 ASN A 15 15.071 -3.744 0.812 1.00 0.00 N ATOM 0 H ASN A 15 14.020 0.557 1.031 1.00 0.00 H new ATOM 0 HA ASN A 15 12.373 -1.634 0.769 1.00 0.00 H new ATOM 0 HB2 ASN A 15 14.971 -1.309 1.242 1.00 0.00 H new ATOM 0 HB3 ASN A 15 14.493 -1.539 2.912 1.00 0.00 H new ATOM 0 HD21 ASN A 15 15.102 -4.747 0.628 1.00 0.00 H new ATOM 0 HD22 ASN A 15 15.722 -3.118 0.338 1.00 0.00 H new ATOM 214 N GLU A 16 12.072 -0.182 3.689 1.00 0.00 N ATOM 215 CA GLU A 16 11.270 -0.140 4.906 1.00 0.00 C ATOM 216 C GLU A 16 9.794 0.066 4.579 1.00 0.00 C ATOM 217 O GLU A 16 8.927 -0.632 5.104 1.00 0.00 O ATOM 218 CB GLU A 16 11.761 0.978 5.828 1.00 0.00 C ATOM 219 CG GLU A 16 12.875 0.548 6.767 1.00 0.00 C ATOM 220 CD GLU A 16 13.418 1.698 7.594 1.00 0.00 C ATOM 221 OE1 GLU A 16 14.223 2.487 7.057 1.00 0.00 O ATOM 222 OE2 GLU A 16 13.036 1.808 8.778 1.00 0.00 O ATOM 0 H GLU A 16 12.710 0.606 3.576 1.00 0.00 H new ATOM 0 HA GLU A 16 11.380 -1.097 5.416 1.00 0.00 H new ATOM 0 HB2 GLU A 16 12.112 1.811 5.219 1.00 0.00 H new ATOM 0 HB3 GLU A 16 10.922 1.346 6.418 1.00 0.00 H new ATOM 0 HG2 GLU A 16 12.503 -0.230 7.434 1.00 0.00 H new ATOM 0 HG3 GLU A 16 13.686 0.109 6.186 1.00 0.00 H new ATOM 229 N VAL A 17 9.516 1.032 3.709 1.00 0.00 N ATOM 230 CA VAL A 17 8.146 1.331 3.310 1.00 0.00 C ATOM 231 C VAL A 17 7.522 0.156 2.565 1.00 0.00 C ATOM 232 O VAL A 17 6.324 -0.105 2.687 1.00 0.00 O ATOM 233 CB VAL A 17 8.082 2.584 2.417 1.00 0.00 C ATOM 234 CG1 VAL A 17 6.637 2.950 2.113 1.00 0.00 C ATOM 235 CG2 VAL A 17 8.807 3.746 3.077 1.00 0.00 C ATOM 0 H VAL A 17 10.222 1.621 3.267 1.00 0.00 H new ATOM 0 HA VAL A 17 7.583 1.517 4.225 1.00 0.00 H new ATOM 0 HB VAL A 17 8.582 2.362 1.474 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.612 3.838 1.481 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.153 2.122 1.595 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.109 3.153 3.045 1.00 0.00 H new ATOM 0 HG21 VAL A 17 8.752 4.623 2.432 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.338 3.970 4.035 1.00 0.00 H new ATOM 0 HG23 VAL A 17 9.852 3.479 3.238 1.00 0.00 H new ATOM 245 N THR A 18 8.341 -0.551 1.793 1.00 0.00 N ATOM 246 CA THR A 18 7.869 -1.698 1.027 1.00 0.00 C ATOM 247 C THR A 18 7.679 -2.916 1.923 1.00 0.00 C ATOM 248 O THR A 18 6.651 -3.591 1.862 1.00 0.00 O ATOM 249 CB THR A 18 8.848 -2.056 -0.107 1.00 0.00 C ATOM 250 OG1 THR A 18 10.163 -2.250 0.424 1.00 0.00 O ATOM 251 CG2 THR A 18 8.878 -0.961 -1.162 1.00 0.00 C ATOM 0 H THR A 18 9.335 -0.349 1.682 1.00 0.00 H new ATOM 0 HA THR A 18 6.909 -1.417 0.593 1.00 0.00 H new ATOM 0 HB THR A 18 8.506 -2.979 -0.574 1.00 0.00 H new ATOM 0 HG1 THR A 18 10.742 -2.632 -0.268 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.576 -1.236 -1.952 1.00 0.00 H new ATOM 0 HG22 THR A 18 7.881 -0.836 -1.585 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.198 -0.024 -0.705 1.00 0.00 H new ATOM 259 N THR A 19 8.677 -3.194 2.757 1.00 0.00 N ATOM 260 CA THR A 19 8.619 -4.332 3.666 1.00 0.00 C ATOM 261 C THR A 19 7.432 -4.218 4.615 1.00 0.00 C ATOM 262 O THR A 19 6.807 -5.219 4.965 1.00 0.00 O ATOM 263 CB THR A 19 9.913 -4.456 4.493 1.00 0.00 C ATOM 264 OG1 THR A 19 10.177 -5.833 4.785 1.00 0.00 O ATOM 265 CG2 THR A 19 9.804 -3.669 5.790 1.00 0.00 C ATOM 0 H THR A 19 9.535 -2.646 2.821 1.00 0.00 H new ATOM 0 HA THR A 19 8.503 -5.223 3.050 1.00 0.00 H new ATOM 0 HB THR A 19 10.734 -4.045 3.906 1.00 0.00 H new ATOM 0 HG1 THR A 19 11.002 -5.904 5.309 1.00 0.00 H new ATOM 0 HG21 THR A 19 10.729 -3.772 6.357 1.00 0.00 H new ATOM 0 HG22 THR A 19 9.632 -2.617 5.564 1.00 0.00 H new ATOM 0 HG23 THR A 19 8.972 -4.054 6.380 1.00 0.00 H new ATOM 273 N SER A 20 7.125 -2.993 5.027 1.00 0.00 N ATOM 274 CA SER A 20 6.014 -2.749 5.939 1.00 0.00 C ATOM 275 C SER A 20 4.684 -2.765 5.191 1.00 0.00 C ATOM 276 O SER A 20 3.799 -3.567 5.490 1.00 0.00 O ATOM 277 CB SER A 20 6.195 -1.407 6.651 1.00 0.00 C ATOM 278 OG SER A 20 6.982 -1.553 7.821 1.00 0.00 O ATOM 0 H SER A 20 7.630 -2.153 4.744 1.00 0.00 H new ATOM 0 HA SER A 20 6.004 -3.547 6.681 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.670 -0.695 5.976 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.220 -0.996 6.914 1.00 0.00 H new ATOM 0 HG SER A 20 7.085 -0.681 8.257 1.00 0.00 H new ATOM 284 N PHE A 21 4.551 -1.872 4.216 1.00 0.00 N ATOM 285 CA PHE A 21 3.329 -1.781 3.424 1.00 0.00 C ATOM 286 C PHE A 21 2.976 -3.133 2.812 1.00 0.00 C ATOM 287 O PHE A 21 1.820 -3.557 2.843 1.00 0.00 O ATOM 288 CB PHE A 21 3.489 -0.734 2.319 1.00 0.00 C ATOM 289 CG PHE A 21 2.339 -0.702 1.353 1.00 0.00 C ATOM 290 CD1 PHE A 21 2.194 -1.693 0.396 1.00 0.00 C ATOM 291 CD2 PHE A 21 1.404 0.319 1.403 1.00 0.00 C ATOM 292 CE1 PHE A 21 1.137 -1.667 -0.494 1.00 0.00 C ATOM 293 CE2 PHE A 21 0.345 0.350 0.515 1.00 0.00 C ATOM 294 CZ PHE A 21 0.212 -0.643 -0.435 1.00 0.00 C ATOM 0 H PHE A 21 5.274 -1.201 3.955 1.00 0.00 H new ATOM 0 HA PHE A 21 2.518 -1.479 4.086 1.00 0.00 H new ATOM 0 HB2 PHE A 21 3.598 0.250 2.775 1.00 0.00 H new ATOM 0 HB3 PHE A 21 4.409 -0.934 1.770 1.00 0.00 H new ATOM 0 HD1 PHE A 21 2.915 -2.495 0.345 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.503 1.099 2.143 1.00 0.00 H new ATOM 0 HE1 PHE A 21 1.034 -2.446 -1.235 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -0.378 1.151 0.564 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.614 -0.619 -1.131 1.00 0.00 H new ATOM 304 N ARG A 22 3.979 -3.805 2.257 1.00 0.00 N ATOM 305 CA ARG A 22 3.775 -5.108 1.636 1.00 0.00 C ATOM 306 C ARG A 22 3.072 -6.064 2.596 1.00 0.00 C ATOM 307 O ARG A 22 2.094 -6.716 2.233 1.00 0.00 O ATOM 308 CB ARG A 22 5.114 -5.703 1.196 1.00 0.00 C ATOM 309 CG ARG A 22 4.981 -7.028 0.464 1.00 0.00 C ATOM 310 CD ARG A 22 5.023 -8.204 1.428 1.00 0.00 C ATOM 311 NE ARG A 22 6.363 -8.422 1.966 1.00 0.00 N ATOM 312 CZ ARG A 22 6.786 -9.592 2.433 1.00 0.00 C ATOM 313 NH1 ARG A 22 5.978 -10.643 2.425 1.00 0.00 N ATOM 314 NH2 ARG A 22 8.019 -9.711 2.907 1.00 0.00 N ATOM 0 H ARG A 22 4.941 -3.469 2.225 1.00 0.00 H new ATOM 0 HA ARG A 22 3.142 -4.969 0.760 1.00 0.00 H new ATOM 0 HB2 ARG A 22 5.624 -4.990 0.548 1.00 0.00 H new ATOM 0 HB3 ARG A 22 5.745 -5.844 2.074 1.00 0.00 H new ATOM 0 HG2 ARG A 22 4.044 -7.045 -0.092 1.00 0.00 H new ATOM 0 HG3 ARG A 22 5.786 -7.125 -0.265 1.00 0.00 H new ATOM 0 HD2 ARG A 22 4.328 -8.026 2.248 1.00 0.00 H new ATOM 0 HD3 ARG A 22 4.687 -9.105 0.915 1.00 0.00 H new ATOM 0 HE ARG A 22 7.009 -7.633 1.984 1.00 0.00 H new ATOM 0 HH11 ARG A 22 5.030 -10.554 2.060 1.00 0.00 H new ATOM 0 HH12 ARG A 22 6.305 -11.540 2.784 1.00 0.00 H new ATOM 0 HH21 ARG A 22 8.643 -8.904 2.913 1.00 0.00 H new ATOM 0 HH22 ARG A 22 8.343 -10.609 3.265 1.00 0.00 H new ATOM 328 N ALA A 23 3.579 -6.141 3.822 1.00 0.00 N ATOM 329 CA ALA A 23 3.000 -7.015 4.835 1.00 0.00 C ATOM 330 C ALA A 23 1.741 -6.400 5.436 1.00 0.00 C ATOM 331 O ALA A 23 0.645 -6.938 5.290 1.00 0.00 O ATOM 332 CB ALA A 23 4.020 -7.308 5.925 1.00 0.00 C ATOM 0 H ALA A 23 4.390 -5.609 4.138 1.00 0.00 H new ATOM 0 HA ALA A 23 2.720 -7.952 4.354 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.574 -7.962 6.675 1.00 0.00 H new ATOM 0 HB2 ALA A 23 4.890 -7.798 5.487 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.328 -6.374 6.395 1.00 0.00 H new ATOM 338 N GLY A 24 1.906 -5.268 6.113 1.00 0.00 N ATOM 339 CA GLY A 24 0.775 -4.598 6.727 1.00 0.00 C ATOM 340 C GLY A 24 0.086 -5.460 7.768 1.00 0.00 C ATOM 341 O GLY A 24 -0.253 -6.613 7.503 1.00 0.00 O ATOM 0 H GLY A 24 2.804 -4.803 6.247 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.114 -3.672 7.192 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.057 -4.322 5.955 1.00 0.00 H new ATOM 345 N MET A 25 -0.119 -4.900 8.955 1.00 0.00 N ATOM 346 CA MET A 25 -0.771 -5.625 10.039 1.00 0.00 C ATOM 347 C MET A 25 -2.210 -5.974 9.672 1.00 0.00 C ATOM 348 O MET A 25 -2.599 -7.141 9.626 1.00 0.00 O ATOM 349 CB MET A 25 -0.747 -4.795 11.324 1.00 0.00 C ATOM 350 CG MET A 25 0.436 -5.106 12.227 1.00 0.00 C ATOM 351 SD MET A 25 0.627 -3.907 13.560 1.00 0.00 S ATOM 352 CE MET A 25 0.128 -4.889 14.972 1.00 0.00 C ATOM 0 H MET A 25 0.157 -3.947 9.191 1.00 0.00 H new ATOM 0 HA MET A 25 -0.222 -6.552 10.204 1.00 0.00 H new ATOM 0 HB2 MET A 25 -0.726 -3.737 11.063 1.00 0.00 H new ATOM 0 HB3 MET A 25 -1.671 -4.969 11.876 1.00 0.00 H new ATOM 0 HG2 MET A 25 0.310 -6.101 12.654 1.00 0.00 H new ATOM 0 HG3 MET A 25 1.348 -5.128 11.630 1.00 0.00 H new ATOM 0 HE1 MET A 25 0.192 -4.284 15.877 1.00 0.00 H new ATOM 0 HE2 MET A 25 -0.899 -5.228 14.835 1.00 0.00 H new ATOM 0 HE3 MET A 25 0.786 -5.753 15.065 1.00 0.00 H new ATOM 362 N PRO A 26 -3.020 -4.939 9.404 1.00 0.00 N ATOM 363 CA PRO A 26 -4.429 -5.111 9.036 1.00 0.00 C ATOM 364 C PRO A 26 -4.595 -5.727 7.651 1.00 0.00 C ATOM 365 O PRO A 26 -3.924 -5.328 6.698 1.00 0.00 O ATOM 366 CB PRO A 26 -4.978 -3.683 9.056 1.00 0.00 C ATOM 367 CG PRO A 26 -3.792 -2.817 8.805 1.00 0.00 C ATOM 368 CD PRO A 26 -2.624 -3.521 9.439 1.00 0.00 C ATOM 0 HA PRO A 26 -4.947 -5.790 9.713 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -5.741 -3.541 8.290 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -5.442 -3.451 10.015 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -3.630 -2.677 7.736 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -3.933 -1.827 9.238 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -1.701 -3.348 8.885 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -2.453 -3.177 10.459 1.00 0.00 H new ATOM 376 N LEU A 27 -5.493 -6.700 7.545 1.00 0.00 N ATOM 377 CA LEU A 27 -5.747 -7.371 6.275 1.00 0.00 C ATOM 378 C LEU A 27 -7.107 -8.063 6.287 1.00 0.00 C ATOM 379 O LEU A 27 -7.617 -8.432 7.345 1.00 0.00 O ATOM 380 CB LEU A 27 -4.646 -8.392 5.985 1.00 0.00 C ATOM 381 CG LEU A 27 -4.742 -9.120 4.643 1.00 0.00 C ATOM 382 CD1 LEU A 27 -4.010 -8.342 3.561 1.00 0.00 C ATOM 383 CD2 LEU A 27 -4.182 -10.530 4.760 1.00 0.00 C ATOM 0 H LEU A 27 -6.057 -7.042 8.323 1.00 0.00 H new ATOM 0 HA LEU A 27 -5.750 -6.616 5.489 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.684 -7.882 6.031 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.650 -9.137 6.781 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.793 -9.190 4.364 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.089 -8.875 2.613 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.456 -7.353 3.459 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.960 -8.240 3.834 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.258 -11.033 3.796 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.136 -10.482 5.062 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.750 -11.086 5.506 1.00 0.00 H new ATOM 395 N ARG A 28 -7.688 -8.236 5.105 1.00 0.00 N ATOM 396 CA ARG A 28 -8.988 -8.884 4.980 1.00 0.00 C ATOM 397 C ARG A 28 -10.065 -8.087 5.708 1.00 0.00 C ATOM 398 O ARG A 28 -10.943 -8.656 6.357 1.00 0.00 O ATOM 399 CB ARG A 28 -8.927 -10.308 5.536 1.00 0.00 C ATOM 400 CG ARG A 28 -8.005 -11.229 4.755 1.00 0.00 C ATOM 401 CD ARG A 28 -7.740 -12.522 5.509 1.00 0.00 C ATOM 402 NE ARG A 28 -8.818 -13.491 5.330 1.00 0.00 N ATOM 403 CZ ARG A 28 -8.754 -14.748 5.756 1.00 0.00 C ATOM 404 NH1 ARG A 28 -7.670 -15.185 6.382 1.00 0.00 N ATOM 405 NH2 ARG A 28 -9.776 -15.570 5.555 1.00 0.00 N ATOM 0 H ARG A 28 -7.279 -7.936 4.220 1.00 0.00 H new ATOM 0 HA ARG A 28 -9.245 -8.926 3.922 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -8.594 -10.270 6.573 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -9.932 -10.731 5.539 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -8.451 -11.456 3.787 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -7.061 -10.720 4.560 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -6.801 -12.956 5.165 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -7.621 -12.305 6.570 1.00 0.00 H new ATOM 0 HE ARG A 28 -9.666 -13.186 4.852 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.882 -14.556 6.538 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -7.624 -16.150 6.708 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -10.611 -15.237 5.073 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -9.726 -16.535 5.882 1.00 0.00 H new ATOM 419 N LYS A 29 -9.992 -6.764 5.598 1.00 0.00 N ATOM 420 CA LYS A 29 -10.961 -5.887 6.245 1.00 0.00 C ATOM 421 C LYS A 29 -12.283 -5.883 5.485 1.00 0.00 C ATOM 422 O LYS A 29 -13.357 -5.938 6.086 1.00 0.00 O ATOM 423 CB LYS A 29 -10.408 -4.463 6.337 1.00 0.00 C ATOM 424 CG LYS A 29 -9.367 -4.284 7.428 1.00 0.00 C ATOM 425 CD LYS A 29 -9.217 -2.824 7.822 1.00 0.00 C ATOM 426 CE LYS A 29 -8.602 -2.680 9.206 1.00 0.00 C ATOM 427 NZ LYS A 29 -9.561 -3.056 10.281 1.00 0.00 N ATOM 0 H LYS A 29 -9.271 -6.276 5.066 1.00 0.00 H new ATOM 0 HA LYS A 29 -11.142 -6.265 7.251 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -9.967 -4.191 5.378 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -11.232 -3.773 6.516 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -9.650 -4.870 8.302 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.407 -4.669 7.083 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.593 -2.311 7.090 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.193 -2.339 7.804 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.714 -3.308 9.276 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.277 -1.650 9.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.217 -2.696 11.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.493 -2.643 10.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -9.644 -4.092 10.326 1.00 0.00 H new ATOM 441 N HIS A 30 -12.199 -5.817 4.160 1.00 0.00 N ATOM 442 CA HIS A 30 -13.390 -5.807 3.318 1.00 0.00 C ATOM 443 C HIS A 30 -14.041 -7.186 3.281 1.00 0.00 C ATOM 444 O HIS A 30 -13.523 -8.143 3.858 1.00 0.00 O ATOM 445 CB HIS A 30 -13.034 -5.361 1.899 1.00 0.00 C ATOM 446 CG HIS A 30 -13.045 -3.874 1.718 1.00 0.00 C ATOM 447 ND1 HIS A 30 -14.206 -3.132 1.661 1.00 0.00 N ATOM 448 CD2 HIS A 30 -12.029 -2.991 1.584 1.00 0.00 C ATOM 449 CE1 HIS A 30 -13.903 -1.857 1.497 1.00 0.00 C ATOM 450 NE2 HIS A 30 -12.588 -1.744 1.447 1.00 0.00 N ATOM 0 H HIS A 30 -11.319 -5.770 3.646 1.00 0.00 H new ATOM 0 HA HIS A 30 -14.101 -5.100 3.746 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -12.045 -5.742 1.644 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -13.739 -5.809 1.199 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -10.974 -3.223 1.585 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -14.610 -1.045 1.417 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -12.072 -0.873 1.326 1.00 0.00 H new ATOM 458 N ARG A 31 -15.179 -7.280 2.601 1.00 0.00 N ATOM 459 CA ARG A 31 -15.901 -8.542 2.492 1.00 0.00 C ATOM 460 C ARG A 31 -16.038 -8.966 1.032 1.00 0.00 C ATOM 461 O ARG A 31 -16.183 -8.126 0.144 1.00 0.00 O ATOM 462 CB ARG A 31 -17.286 -8.418 3.130 1.00 0.00 C ATOM 463 CG ARG A 31 -18.013 -9.746 3.270 1.00 0.00 C ATOM 464 CD ARG A 31 -17.603 -10.473 4.541 1.00 0.00 C ATOM 465 NE ARG A 31 -18.557 -11.516 4.907 1.00 0.00 N ATOM 466 CZ ARG A 31 -18.245 -12.569 5.655 1.00 0.00 C ATOM 467 NH1 ARG A 31 -17.010 -12.717 6.114 1.00 0.00 N ATOM 468 NH2 ARG A 31 -19.169 -13.476 5.945 1.00 0.00 N ATOM 0 H ARG A 31 -15.621 -6.498 2.118 1.00 0.00 H new ATOM 0 HA ARG A 31 -15.331 -9.305 3.022 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -17.183 -7.964 4.116 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -17.894 -7.742 2.529 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -19.089 -9.574 3.279 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -17.798 -10.373 2.405 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -16.617 -10.916 4.403 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -17.519 -9.756 5.358 1.00 0.00 H new ATOM 0 HE ARG A 31 -19.516 -11.432 4.570 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -16.297 -12.022 5.893 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -16.773 -13.526 6.688 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -20.120 -13.365 5.594 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -18.928 -14.284 6.519 1.00 0.00 H new ATOM 482 N GLN A 32 -15.989 -10.272 0.794 1.00 0.00 N ATOM 483 CA GLN A 32 -16.106 -10.806 -0.558 1.00 0.00 C ATOM 484 C GLN A 32 -17.116 -11.949 -0.607 1.00 0.00 C ATOM 485 O GLN A 32 -17.674 -12.341 0.418 1.00 0.00 O ATOM 486 CB GLN A 32 -14.744 -11.292 -1.057 1.00 0.00 C ATOM 487 CG GLN A 32 -14.021 -12.193 -0.069 1.00 0.00 C ATOM 488 CD GLN A 32 -13.504 -11.437 1.140 1.00 0.00 C ATOM 489 OE1 GLN A 32 -12.691 -10.521 1.013 1.00 0.00 O ATOM 490 NE2 GLN A 32 -13.974 -11.818 2.322 1.00 0.00 N ATOM 0 H GLN A 32 -15.869 -10.980 1.519 1.00 0.00 H new ATOM 0 HA GLN A 32 -16.459 -10.005 -1.208 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -14.881 -11.831 -1.995 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -14.116 -10.428 -1.275 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -14.698 -12.980 0.262 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -13.186 -12.681 -0.572 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -14.647 -12.582 2.381 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -13.662 -11.346 3.171 1.00 0.00 H new ATOM 499 N HIS A 33 -17.346 -12.478 -1.804 1.00 0.00 N ATOM 500 CA HIS A 33 -18.288 -13.576 -1.986 1.00 0.00 C ATOM 501 C HIS A 33 -17.699 -14.888 -1.477 1.00 0.00 C ATOM 502 O HIS A 33 -18.173 -15.451 -0.490 1.00 0.00 O ATOM 503 CB HIS A 33 -18.667 -13.712 -3.462 1.00 0.00 C ATOM 504 CG HIS A 33 -19.461 -14.945 -3.765 1.00 0.00 C ATOM 505 ND1 HIS A 33 -18.886 -16.128 -4.178 1.00 0.00 N ATOM 506 CD2 HIS A 33 -20.794 -15.174 -3.712 1.00 0.00 C ATOM 507 CE1 HIS A 33 -19.831 -17.031 -4.367 1.00 0.00 C ATOM 508 NE2 HIS A 33 -20.998 -16.478 -4.091 1.00 0.00 N ATOM 0 H HIS A 33 -16.893 -12.164 -2.662 1.00 0.00 H new ATOM 0 HA HIS A 33 -19.184 -13.352 -1.408 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -19.242 -12.836 -3.763 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -17.758 -13.718 -4.063 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -21.555 -14.464 -3.425 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -19.676 -18.049 -4.692 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -21.904 -16.944 -4.150 1.00 0.00 H new ATOM 516 N PHE A 34 -16.664 -15.370 -2.157 1.00 0.00 N ATOM 517 CA PHE A 34 -16.012 -16.617 -1.775 1.00 0.00 C ATOM 518 C PHE A 34 -14.546 -16.615 -2.198 1.00 0.00 C ATOM 519 O PHE A 34 -14.226 -16.807 -3.371 1.00 0.00 O ATOM 520 CB PHE A 34 -16.735 -17.809 -2.404 1.00 0.00 C ATOM 521 CG PHE A 34 -16.166 -19.138 -1.996 1.00 0.00 C ATOM 522 CD1 PHE A 34 -16.314 -19.601 -0.699 1.00 0.00 C ATOM 523 CD2 PHE A 34 -15.483 -19.925 -2.910 1.00 0.00 C ATOM 524 CE1 PHE A 34 -15.791 -20.823 -0.321 1.00 0.00 C ATOM 525 CE2 PHE A 34 -14.958 -21.148 -2.538 1.00 0.00 C ATOM 526 CZ PHE A 34 -15.114 -21.598 -1.242 1.00 0.00 C ATOM 0 H PHE A 34 -16.259 -14.916 -2.975 1.00 0.00 H new ATOM 0 HA PHE A 34 -16.059 -16.705 -0.690 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -17.788 -17.773 -2.126 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -16.689 -17.721 -3.489 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -16.844 -19.000 0.025 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -15.360 -19.578 -3.925 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -15.912 -21.172 0.694 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -14.427 -21.751 -3.260 1.00 0.00 H new ATOM 0 HZ PHE A 34 -14.707 -22.555 -0.949 1.00 0.00 H new ATOM 536 N LYS A 35 -13.658 -16.397 -1.234 1.00 0.00 N ATOM 537 CA LYS A 35 -12.226 -16.370 -1.503 1.00 0.00 C ATOM 538 C LYS A 35 -11.908 -15.435 -2.665 1.00 0.00 C ATOM 539 O LYS A 35 -10.964 -15.665 -3.421 1.00 0.00 O ATOM 540 CB LYS A 35 -11.719 -17.780 -1.816 1.00 0.00 C ATOM 541 CG LYS A 35 -12.121 -18.279 -3.193 1.00 0.00 C ATOM 542 CD LYS A 35 -11.121 -19.288 -3.734 1.00 0.00 C ATOM 543 CE LYS A 35 -11.428 -20.695 -3.244 1.00 0.00 C ATOM 544 NZ LYS A 35 -10.619 -21.720 -3.959 1.00 0.00 N ATOM 0 H LYS A 35 -13.906 -16.236 -0.258 1.00 0.00 H new ATOM 0 HA LYS A 35 -11.721 -15.998 -0.612 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -10.632 -17.792 -1.738 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -12.101 -18.470 -1.063 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -13.109 -18.736 -3.141 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -12.196 -17.435 -3.879 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -11.137 -19.269 -4.824 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -10.114 -19.006 -3.425 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -11.230 -20.758 -2.174 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -12.488 -20.906 -3.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -10.857 -22.665 -3.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -10.826 -21.677 -4.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -9.608 -21.534 -3.803 1.00 0.00 H new ATOM 558 N LYS A 36 -12.701 -14.377 -2.802 1.00 0.00 N ATOM 559 CA LYS A 36 -12.503 -13.405 -3.870 1.00 0.00 C ATOM 560 C LYS A 36 -11.835 -12.141 -3.338 1.00 0.00 C ATOM 561 O LYS A 36 -12.370 -11.467 -2.458 1.00 0.00 O ATOM 562 CB LYS A 36 -13.843 -13.051 -4.520 1.00 0.00 C ATOM 563 CG LYS A 36 -14.436 -14.181 -5.343 1.00 0.00 C ATOM 564 CD LYS A 36 -15.565 -13.688 -6.233 1.00 0.00 C ATOM 565 CE LYS A 36 -15.830 -14.650 -7.381 1.00 0.00 C ATOM 566 NZ LYS A 36 -14.822 -14.508 -8.468 1.00 0.00 N ATOM 0 H LYS A 36 -13.487 -14.171 -2.186 1.00 0.00 H new ATOM 0 HA LYS A 36 -11.850 -13.853 -4.619 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -14.552 -12.769 -3.741 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -13.708 -12.179 -5.160 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -13.657 -14.632 -5.958 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -14.809 -14.960 -4.678 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -16.472 -13.569 -5.640 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -15.313 -12.705 -6.631 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -15.819 -15.674 -7.007 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -16.826 -14.469 -7.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -15.057 -15.157 -9.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -14.826 -13.529 -8.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -13.878 -14.739 -8.098 1.00 0.00 H new ATOM 580 N TYR A 37 -10.663 -11.825 -3.878 1.00 0.00 N ATOM 581 CA TYR A 37 -9.921 -10.642 -3.457 1.00 0.00 C ATOM 582 C TYR A 37 -9.867 -10.546 -1.936 1.00 0.00 C ATOM 583 O TYR A 37 -9.858 -9.454 -1.371 1.00 0.00 O ATOM 584 CB TYR A 37 -10.562 -9.380 -4.036 1.00 0.00 C ATOM 585 CG TYR A 37 -12.058 -9.310 -3.830 1.00 0.00 C ATOM 586 CD1 TYR A 37 -12.927 -9.999 -4.668 1.00 0.00 C ATOM 587 CD2 TYR A 37 -12.603 -8.556 -2.798 1.00 0.00 C ATOM 588 CE1 TYR A 37 -14.295 -9.938 -4.483 1.00 0.00 C ATOM 589 CE2 TYR A 37 -13.969 -8.491 -2.606 1.00 0.00 C ATOM 590 CZ TYR A 37 -14.811 -9.183 -3.451 1.00 0.00 C ATOM 591 OH TYR A 37 -16.173 -9.120 -3.263 1.00 0.00 O ATOM 0 H TYR A 37 -10.206 -12.371 -4.608 1.00 0.00 H new ATOM 0 HA TYR A 37 -8.902 -10.730 -3.834 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -10.100 -8.505 -3.578 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -10.348 -9.332 -5.104 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -12.526 -10.592 -5.477 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -11.947 -8.012 -2.135 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -14.957 -10.479 -5.143 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -14.376 -7.901 -1.798 1.00 0.00 H new ATOM 0 HH TYR A 37 -16.584 -9.956 -3.568 1.00 0.00 H new ATOM 601 N GLY A 38 -9.831 -11.701 -1.277 1.00 0.00 N ATOM 602 CA GLY A 38 -9.777 -11.727 0.173 1.00 0.00 C ATOM 603 C GLY A 38 -8.523 -11.074 0.718 1.00 0.00 C ATOM 604 O GLY A 38 -8.598 -10.161 1.539 1.00 0.00 O ATOM 0 H GLY A 38 -9.838 -12.619 -1.722 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.653 -11.217 0.575 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.824 -12.760 0.517 1.00 0.00 H new ATOM 608 N ASN A 39 -7.367 -11.544 0.262 1.00 0.00 N ATOM 609 CA ASN A 39 -6.090 -11.001 0.712 1.00 0.00 C ATOM 610 C ASN A 39 -5.726 -9.746 -0.075 1.00 0.00 C ATOM 611 O ASN A 39 -4.587 -9.279 -0.026 1.00 0.00 O ATOM 612 CB ASN A 39 -4.985 -12.049 0.562 1.00 0.00 C ATOM 613 CG ASN A 39 -3.811 -11.788 1.486 1.00 0.00 C ATOM 614 OD1 ASN A 39 -3.142 -10.760 1.382 1.00 0.00 O ATOM 615 ND2 ASN A 39 -3.557 -12.720 2.397 1.00 0.00 N ATOM 0 H ASN A 39 -7.288 -12.300 -0.419 1.00 0.00 H new ATOM 0 HA ASN A 39 -6.187 -10.734 1.764 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -5.395 -13.037 0.770 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.636 -12.060 -0.471 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -2.780 -12.599 3.047 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -4.138 -13.557 2.447 1.00 0.00 H new ATOM 622 N CYS A 40 -6.699 -9.204 -0.798 1.00 0.00 N ATOM 623 CA CYS A 40 -6.481 -8.002 -1.596 1.00 0.00 C ATOM 624 C CYS A 40 -6.926 -6.757 -0.836 1.00 0.00 C ATOM 625 O CYS A 40 -7.700 -6.843 0.118 1.00 0.00 O ATOM 626 CB CYS A 40 -7.236 -8.102 -2.922 1.00 0.00 C ATOM 627 SG CYS A 40 -6.636 -9.411 -4.016 1.00 0.00 S ATOM 0 H CYS A 40 -7.647 -9.577 -0.848 1.00 0.00 H new ATOM 0 HA CYS A 40 -5.413 -7.919 -1.799 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -8.292 -8.272 -2.714 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -7.163 -7.147 -3.442 1.00 0.00 H new ATOM 0 HG CYS A 40 -7.338 -9.418 -5.110 1.00 0.00 H new ATOM 633 N PHE A 41 -6.431 -5.601 -1.264 1.00 0.00 N ATOM 634 CA PHE A 41 -6.776 -4.337 -0.622 1.00 0.00 C ATOM 635 C PHE A 41 -7.018 -3.247 -1.661 1.00 0.00 C ATOM 636 O PHE A 41 -6.171 -2.991 -2.518 1.00 0.00 O ATOM 637 CB PHE A 41 -5.662 -3.907 0.335 1.00 0.00 C ATOM 638 CG PHE A 41 -4.288 -3.996 -0.265 1.00 0.00 C ATOM 639 CD1 PHE A 41 -3.812 -2.991 -1.090 1.00 0.00 C ATOM 640 CD2 PHE A 41 -3.474 -5.087 -0.004 1.00 0.00 C ATOM 641 CE1 PHE A 41 -2.547 -3.070 -1.644 1.00 0.00 C ATOM 642 CE2 PHE A 41 -2.209 -5.171 -0.554 1.00 0.00 C ATOM 643 CZ PHE A 41 -1.745 -4.162 -1.376 1.00 0.00 C ATOM 0 H PHE A 41 -5.790 -5.513 -2.052 1.00 0.00 H new ATOM 0 HA PHE A 41 -7.696 -4.485 -0.056 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -5.844 -2.881 0.654 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -5.701 -4.530 1.228 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -4.436 -2.135 -1.303 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -3.832 -5.880 0.636 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -2.187 -2.279 -2.285 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -1.583 -6.025 -0.341 1.00 0.00 H new ATOM 0 HZ PHE A 41 -0.757 -4.227 -1.808 1.00 0.00 H new ATOM 653 N THR A 42 -8.181 -2.608 -1.580 1.00 0.00 N ATOM 654 CA THR A 42 -8.536 -1.547 -2.514 1.00 0.00 C ATOM 655 C THR A 42 -7.575 -0.369 -2.400 1.00 0.00 C ATOM 656 O THR A 42 -6.836 -0.252 -1.423 1.00 0.00 O ATOM 657 CB THR A 42 -9.973 -1.047 -2.275 1.00 0.00 C ATOM 658 OG1 THR A 42 -10.106 -0.557 -0.936 1.00 0.00 O ATOM 659 CG2 THR A 42 -10.981 -2.161 -2.515 1.00 0.00 C ATOM 0 H THR A 42 -8.893 -2.807 -0.877 1.00 0.00 H new ATOM 0 HA THR A 42 -8.468 -1.972 -3.516 1.00 0.00 H new ATOM 0 HB THR A 42 -10.174 -0.239 -2.978 1.00 0.00 H new ATOM 0 HG1 THR A 42 -11.022 -0.240 -0.793 1.00 0.00 H new ATOM 0 HG21 THR A 42 -11.989 -1.784 -2.340 1.00 0.00 H new ATOM 0 HG22 THR A 42 -10.898 -2.511 -3.544 1.00 0.00 H new ATOM 0 HG23 THR A 42 -10.779 -2.987 -1.833 1.00 0.00 H new ATOM 667 N ALA A 43 -7.591 0.502 -3.404 1.00 0.00 N ATOM 668 CA ALA A 43 -6.723 1.672 -3.414 1.00 0.00 C ATOM 669 C ALA A 43 -7.079 2.629 -2.281 1.00 0.00 C ATOM 670 O ALA A 43 -6.203 3.105 -1.560 1.00 0.00 O ATOM 671 CB ALA A 43 -6.812 2.384 -4.756 1.00 0.00 C ATOM 0 H ALA A 43 -8.196 0.419 -4.221 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.698 1.335 -3.261 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.158 3.256 -4.749 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.502 1.704 -5.550 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.840 2.702 -4.932 1.00 0.00 H new ATOM 677 N GLY A 44 -8.370 2.909 -2.131 1.00 0.00 N ATOM 678 CA GLY A 44 -8.818 3.809 -1.085 1.00 0.00 C ATOM 679 C GLY A 44 -8.344 3.381 0.290 1.00 0.00 C ATOM 680 O GLY A 44 -7.612 4.112 0.956 1.00 0.00 O ATOM 0 H GLY A 44 -9.114 2.528 -2.716 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.454 4.815 -1.295 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -9.907 3.856 -1.092 1.00 0.00 H new ATOM 684 N GLU A 45 -8.764 2.193 0.716 1.00 0.00 N ATOM 685 CA GLU A 45 -8.380 1.671 2.022 1.00 0.00 C ATOM 686 C GLU A 45 -6.867 1.733 2.208 1.00 0.00 C ATOM 687 O GLU A 45 -6.375 2.224 3.224 1.00 0.00 O ATOM 688 CB GLU A 45 -8.867 0.230 2.183 1.00 0.00 C ATOM 689 CG GLU A 45 -9.125 -0.168 3.627 1.00 0.00 C ATOM 690 CD GLU A 45 -10.348 0.513 4.210 1.00 0.00 C ATOM 691 OE1 GLU A 45 -10.244 1.700 4.585 1.00 0.00 O ATOM 692 OE2 GLU A 45 -11.408 -0.141 4.291 1.00 0.00 O ATOM 0 H GLU A 45 -9.370 1.575 0.176 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.848 2.292 2.786 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.785 0.099 1.610 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.125 -0.445 1.756 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -9.253 -1.249 3.685 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.252 0.082 4.230 1.00 0.00 H new ATOM 699 N ALA A 46 -6.134 1.229 1.220 1.00 0.00 N ATOM 700 CA ALA A 46 -4.677 1.228 1.274 1.00 0.00 C ATOM 701 C ALA A 46 -4.138 2.617 1.598 1.00 0.00 C ATOM 702 O ALA A 46 -3.288 2.775 2.474 1.00 0.00 O ATOM 703 CB ALA A 46 -4.101 0.730 -0.044 1.00 0.00 C ATOM 0 H ALA A 46 -6.525 0.816 0.373 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.368 0.553 2.072 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.012 0.734 0.010 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.451 -0.285 -0.234 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.427 1.383 -0.853 1.00 0.00 H new ATOM 709 N VAL A 47 -4.638 3.622 0.886 1.00 0.00 N ATOM 710 CA VAL A 47 -4.207 4.998 1.099 1.00 0.00 C ATOM 711 C VAL A 47 -4.024 5.294 2.583 1.00 0.00 C ATOM 712 O VAL A 47 -3.032 5.899 2.988 1.00 0.00 O ATOM 713 CB VAL A 47 -5.216 6.000 0.508 1.00 0.00 C ATOM 714 CG1 VAL A 47 -4.766 7.429 0.771 1.00 0.00 C ATOM 715 CG2 VAL A 47 -5.398 5.756 -0.983 1.00 0.00 C ATOM 0 H VAL A 47 -5.342 3.509 0.157 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.251 5.112 0.588 1.00 0.00 H new ATOM 0 HB VAL A 47 -6.178 5.851 0.998 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -5.491 8.123 0.346 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.691 7.595 1.846 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.792 7.595 0.310 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -6.114 6.473 -1.384 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -4.441 5.876 -1.491 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.769 4.744 -1.143 1.00 0.00 H new ATOM 725 N ASP A 48 -4.987 4.861 3.390 1.00 0.00 N ATOM 726 CA ASP A 48 -4.932 5.078 4.831 1.00 0.00 C ATOM 727 C ASP A 48 -3.859 4.203 5.471 1.00 0.00 C ATOM 728 O ASP A 48 -3.069 4.672 6.291 1.00 0.00 O ATOM 729 CB ASP A 48 -6.292 4.783 5.465 1.00 0.00 C ATOM 730 CG ASP A 48 -6.361 5.217 6.916 1.00 0.00 C ATOM 731 OD1 ASP A 48 -5.672 4.599 7.753 1.00 0.00 O ATOM 732 OD2 ASP A 48 -7.105 6.175 7.214 1.00 0.00 O ATOM 0 H ASP A 48 -5.815 4.358 3.071 1.00 0.00 H new ATOM 0 HA ASP A 48 -4.677 6.123 5.007 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -7.072 5.293 4.899 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -6.497 3.714 5.398 1.00 0.00 H new ATOM 737 N TRP A 49 -3.837 2.930 5.092 1.00 0.00 N ATOM 738 CA TRP A 49 -2.861 1.990 5.631 1.00 0.00 C ATOM 739 C TRP A 49 -1.440 2.507 5.435 1.00 0.00 C ATOM 740 O TRP A 49 -0.623 2.471 6.356 1.00 0.00 O ATOM 741 CB TRP A 49 -3.016 0.623 4.961 1.00 0.00 C ATOM 742 CG TRP A 49 -1.742 -0.166 4.919 1.00 0.00 C ATOM 743 CD1 TRP A 49 -1.240 -0.855 3.853 1.00 0.00 C ATOM 744 CD2 TRP A 49 -0.811 -0.348 5.992 1.00 0.00 C ATOM 745 NE1 TRP A 49 -0.052 -1.455 4.198 1.00 0.00 N ATOM 746 CE2 TRP A 49 0.233 -1.158 5.504 1.00 0.00 C ATOM 747 CE3 TRP A 49 -0.756 0.097 7.316 1.00 0.00 C ATOM 748 CZ2 TRP A 49 1.316 -1.532 6.295 1.00 0.00 C ATOM 749 CZ3 TRP A 49 0.319 -0.276 8.099 1.00 0.00 C ATOM 750 CH2 TRP A 49 1.343 -1.083 7.587 1.00 0.00 C ATOM 0 H TRP A 49 -4.483 2.526 4.414 1.00 0.00 H new ATOM 0 HA TRP A 49 -3.045 1.887 6.700 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -3.773 0.049 5.495 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -3.381 0.764 3.944 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -1.707 -0.919 2.881 1.00 0.00 H new ATOM 0 HE1 TRP A 49 0.524 -2.028 3.581 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -1.540 0.721 7.719 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 2.107 -2.154 5.903 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 0.371 0.060 9.124 1.00 0.00 H new ATOM 0 HH2 TRP A 49 2.170 -1.356 8.225 1.00 0.00 H new ATOM 761 N LEU A 50 -1.151 2.989 4.231 1.00 0.00 N ATOM 762 CA LEU A 50 0.172 3.515 3.915 1.00 0.00 C ATOM 763 C LEU A 50 0.404 4.857 4.603 1.00 0.00 C ATOM 764 O LEU A 50 1.397 5.042 5.305 1.00 0.00 O ATOM 765 CB LEU A 50 0.332 3.671 2.401 1.00 0.00 C ATOM 766 CG LEU A 50 1.639 4.308 1.927 1.00 0.00 C ATOM 767 CD1 LEU A 50 2.823 3.422 2.280 1.00 0.00 C ATOM 768 CD2 LEU A 50 1.592 4.567 0.428 1.00 0.00 C ATOM 0 H LEU A 50 -1.815 3.026 3.458 1.00 0.00 H new ATOM 0 HA LEU A 50 0.915 2.806 4.282 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.244 2.686 1.943 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.498 4.271 2.028 1.00 0.00 H new ATOM 0 HG LEU A 50 1.762 5.263 2.437 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.744 3.891 1.935 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.867 3.287 3.361 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.708 2.451 1.798 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.530 5.020 0.108 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.446 3.625 -0.100 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.767 5.242 0.201 1.00 0.00 H new ATOM 780 N TYR A 51 -0.521 5.788 4.397 1.00 0.00 N ATOM 781 CA TYR A 51 -0.418 7.113 4.997 1.00 0.00 C ATOM 782 C TYR A 51 -0.070 7.014 6.480 1.00 0.00 C ATOM 783 O TYR A 51 0.943 7.552 6.928 1.00 0.00 O ATOM 784 CB TYR A 51 -1.729 7.880 4.820 1.00 0.00 C ATOM 785 CG TYR A 51 -1.849 9.090 5.718 1.00 0.00 C ATOM 786 CD1 TYR A 51 -1.338 10.322 5.329 1.00 0.00 C ATOM 787 CD2 TYR A 51 -2.473 9.002 6.957 1.00 0.00 C ATOM 788 CE1 TYR A 51 -1.445 11.431 6.147 1.00 0.00 C ATOM 789 CE2 TYR A 51 -2.585 10.105 7.780 1.00 0.00 C ATOM 790 CZ TYR A 51 -2.070 11.317 7.371 1.00 0.00 C ATOM 791 OH TYR A 51 -2.178 12.419 8.189 1.00 0.00 O ATOM 0 H TYR A 51 -1.350 5.650 3.819 1.00 0.00 H new ATOM 0 HA TYR A 51 0.382 7.652 4.489 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -1.816 8.199 3.781 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -2.563 7.207 5.018 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -0.849 10.415 4.371 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -2.877 8.055 7.282 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -1.042 12.381 5.829 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -3.074 10.019 8.739 1.00 0.00 H new ATOM 0 HH TYR A 51 -2.646 12.170 9.013 1.00 0.00 H new ATOM 801 N ASP A 52 -0.917 6.323 7.234 1.00 0.00 N ATOM 802 CA ASP A 52 -0.699 6.150 8.666 1.00 0.00 C ATOM 803 C ASP A 52 0.734 5.713 8.949 1.00 0.00 C ATOM 804 O ASP A 52 1.372 6.204 9.881 1.00 0.00 O ATOM 805 CB ASP A 52 -1.681 5.123 9.232 1.00 0.00 C ATOM 806 CG ASP A 52 -1.186 4.500 10.523 1.00 0.00 C ATOM 807 OD1 ASP A 52 -0.621 5.236 11.359 1.00 0.00 O ATOM 808 OD2 ASP A 52 -1.365 3.277 10.697 1.00 0.00 O ATOM 0 H ASP A 52 -1.761 5.874 6.878 1.00 0.00 H new ATOM 0 HA ASP A 52 -0.869 7.110 9.153 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.643 5.604 9.409 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -1.848 4.339 8.494 1.00 0.00 H new ATOM 813 N LEU A 53 1.235 4.785 8.141 1.00 0.00 N ATOM 814 CA LEU A 53 2.593 4.279 8.305 1.00 0.00 C ATOM 815 C LEU A 53 3.619 5.370 8.013 1.00 0.00 C ATOM 816 O LEU A 53 4.581 5.549 8.761 1.00 0.00 O ATOM 817 CB LEU A 53 2.828 3.082 7.382 1.00 0.00 C ATOM 818 CG LEU A 53 4.166 2.361 7.545 1.00 0.00 C ATOM 819 CD1 LEU A 53 4.050 1.246 8.573 1.00 0.00 C ATOM 820 CD2 LEU A 53 4.641 1.810 6.209 1.00 0.00 C ATOM 0 H LEU A 53 0.721 4.368 7.365 1.00 0.00 H new ATOM 0 HA LEU A 53 2.713 3.960 9.340 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.027 2.361 7.545 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.745 3.423 6.350 1.00 0.00 H new ATOM 0 HG LEU A 53 4.903 3.080 7.901 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.012 0.744 8.676 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.756 1.667 9.535 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.299 0.527 8.247 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.595 1.300 6.344 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.904 1.105 5.823 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.765 2.629 5.501 1.00 0.00 H new ATOM 832 N LEU A 54 3.407 6.097 6.922 1.00 0.00 N ATOM 833 CA LEU A 54 4.312 7.173 6.531 1.00 0.00 C ATOM 834 C LEU A 54 4.385 8.244 7.615 1.00 0.00 C ATOM 835 O LEU A 54 5.462 8.555 8.123 1.00 0.00 O ATOM 836 CB LEU A 54 3.855 7.797 5.212 1.00 0.00 C ATOM 837 CG LEU A 54 3.759 6.847 4.018 1.00 0.00 C ATOM 838 CD1 LEU A 54 3.085 7.535 2.841 1.00 0.00 C ATOM 839 CD2 LEU A 54 5.140 6.344 3.624 1.00 0.00 C ATOM 0 H LEU A 54 2.616 5.961 6.292 1.00 0.00 H new ATOM 0 HA LEU A 54 5.307 6.747 6.399 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.877 8.252 5.368 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.544 8.602 4.956 1.00 0.00 H new ATOM 0 HG LEU A 54 3.151 5.990 4.308 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.026 6.843 2.001 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.080 7.845 3.128 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.666 8.410 2.550 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.052 5.669 2.773 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.772 7.190 3.353 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.587 5.812 4.464 1.00 0.00 H new ATOM 851 N ARG A 55 3.231 8.802 7.966 1.00 0.00 N ATOM 852 CA ARG A 55 3.163 9.838 8.990 1.00 0.00 C ATOM 853 C ARG A 55 3.818 9.365 10.285 1.00 0.00 C ATOM 854 O ARG A 55 4.488 10.136 10.971 1.00 0.00 O ATOM 855 CB ARG A 55 1.708 10.229 9.256 1.00 0.00 C ATOM 856 CG ARG A 55 0.853 9.082 9.769 1.00 0.00 C ATOM 857 CD ARG A 55 -0.446 9.585 10.379 1.00 0.00 C ATOM 858 NE ARG A 55 -1.261 8.494 10.906 1.00 0.00 N ATOM 859 CZ ARG A 55 -2.549 8.619 11.208 1.00 0.00 C ATOM 860 NH1 ARG A 55 -3.165 9.780 11.034 1.00 0.00 N ATOM 861 NH2 ARG A 55 -3.224 7.580 11.683 1.00 0.00 N ATOM 0 H ARG A 55 2.330 8.554 7.556 1.00 0.00 H new ATOM 0 HA ARG A 55 3.705 10.710 8.625 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.686 11.041 9.983 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.270 10.614 8.335 1.00 0.00 H new ATOM 0 HG2 ARG A 55 0.631 8.398 8.950 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.411 8.516 10.515 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -0.222 10.290 11.180 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -1.014 10.130 9.625 1.00 0.00 H new ATOM 0 HE ARG A 55 -0.818 7.587 11.050 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -2.650 10.581 10.667 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -4.154 9.873 11.267 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -2.754 6.685 11.817 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -4.213 7.677 11.915 1.00 0.00 H new ATOM 875 N ASN A 56 3.619 8.092 10.612 1.00 0.00 N ATOM 876 CA ASN A 56 4.189 7.517 11.825 1.00 0.00 C ATOM 877 C ASN A 56 5.704 7.700 11.854 1.00 0.00 C ATOM 878 O ASN A 56 6.285 7.975 12.903 1.00 0.00 O ATOM 879 CB ASN A 56 3.843 6.029 11.921 1.00 0.00 C ATOM 880 CG ASN A 56 3.776 5.542 13.355 1.00 0.00 C ATOM 881 OD1 ASN A 56 4.564 4.693 13.771 1.00 0.00 O ATOM 882 ND2 ASN A 56 2.833 6.080 14.119 1.00 0.00 N ATOM 0 H ASN A 56 3.068 7.440 10.054 1.00 0.00 H new ATOM 0 HA ASN A 56 3.760 8.039 12.680 1.00 0.00 H new ATOM 0 HB2 ASN A 56 2.884 5.850 11.434 1.00 0.00 H new ATOM 0 HB3 ASN A 56 4.590 5.449 11.378 1.00 0.00 H new ATOM 0 HD21 ASN A 56 2.740 5.792 15.093 1.00 0.00 H new ATOM 0 HD22 ASN A 56 2.201 6.781 13.732 1.00 0.00 H new ATOM 889 N ASN A 57 6.335 7.547 10.695 1.00 0.00 N ATOM 890 CA ASN A 57 7.782 7.695 10.588 1.00 0.00 C ATOM 891 C ASN A 57 8.196 9.151 10.786 1.00 0.00 C ATOM 892 O ASN A 57 7.352 10.046 10.832 1.00 0.00 O ATOM 893 CB ASN A 57 8.267 7.197 9.225 1.00 0.00 C ATOM 894 CG ASN A 57 9.752 6.891 9.216 1.00 0.00 C ATOM 895 OD1 ASN A 57 10.338 6.573 10.252 1.00 0.00 O ATOM 896 ND2 ASN A 57 10.369 6.985 8.044 1.00 0.00 N ATOM 0 H ASN A 57 5.868 7.321 9.817 1.00 0.00 H new ATOM 0 HA ASN A 57 8.243 7.094 11.372 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.712 6.300 8.951 1.00 0.00 H new ATOM 0 HB3 ASN A 57 8.049 7.950 8.468 1.00 0.00 H new ATOM 0 HD21 ASN A 57 11.368 6.790 7.977 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.844 7.252 7.211 1.00 0.00 H new ATOM 903 N SER A 58 9.500 9.379 10.903 1.00 0.00 N ATOM 904 CA SER A 58 10.026 10.725 11.100 1.00 0.00 C ATOM 905 C SER A 58 10.244 11.423 9.761 1.00 0.00 C ATOM 906 O SER A 58 9.816 12.560 9.565 1.00 0.00 O ATOM 907 CB SER A 58 11.340 10.672 11.881 1.00 0.00 C ATOM 908 OG SER A 58 11.941 11.954 11.955 1.00 0.00 O ATOM 0 H SER A 58 10.212 8.649 10.865 1.00 0.00 H new ATOM 0 HA SER A 58 9.295 11.295 11.673 1.00 0.00 H new ATOM 0 HB2 SER A 58 11.154 10.295 12.887 1.00 0.00 H new ATOM 0 HB3 SER A 58 12.025 9.973 11.400 1.00 0.00 H new ATOM 0 HG SER A 58 12.779 11.894 12.460 1.00 0.00 H new ATOM 914 N ASN A 59 10.915 10.734 8.844 1.00 0.00 N ATOM 915 CA ASN A 59 11.192 11.288 7.523 1.00 0.00 C ATOM 916 C ASN A 59 9.983 12.049 6.988 1.00 0.00 C ATOM 917 O ASN A 59 10.087 13.217 6.613 1.00 0.00 O ATOM 918 CB ASN A 59 11.578 10.172 6.550 1.00 0.00 C ATOM 919 CG ASN A 59 12.949 9.596 6.846 1.00 0.00 C ATOM 920 OD1 ASN A 59 13.877 10.323 7.201 1.00 0.00 O ATOM 921 ND2 ASN A 59 13.083 8.283 6.699 1.00 0.00 N ATOM 0 H ASN A 59 11.277 9.792 8.991 1.00 0.00 H new ATOM 0 HA ASN A 59 12.025 11.984 7.616 1.00 0.00 H new ATOM 0 HB2 ASN A 59 10.834 9.377 6.600 1.00 0.00 H new ATOM 0 HB3 ASN A 59 11.562 10.560 5.531 1.00 0.00 H new ATOM 0 HD21 ASN A 59 13.983 7.838 6.882 1.00 0.00 H new ATOM 0 HD22 ASN A 59 12.286 7.719 6.403 1.00 0.00 H new ATOM 928 N PHE A 60 8.836 11.379 6.955 1.00 0.00 N ATOM 929 CA PHE A 60 7.606 11.991 6.466 1.00 0.00 C ATOM 930 C PHE A 60 6.917 12.787 7.570 1.00 0.00 C ATOM 931 O PHE A 60 6.403 13.880 7.335 1.00 0.00 O ATOM 932 CB PHE A 60 6.657 10.919 5.926 1.00 0.00 C ATOM 933 CG PHE A 60 7.212 10.163 4.753 1.00 0.00 C ATOM 934 CD1 PHE A 60 8.037 9.066 4.947 1.00 0.00 C ATOM 935 CD2 PHE A 60 6.907 10.547 3.457 1.00 0.00 C ATOM 936 CE1 PHE A 60 8.549 8.369 3.869 1.00 0.00 C ATOM 937 CE2 PHE A 60 7.416 9.853 2.376 1.00 0.00 C ATOM 938 CZ PHE A 60 8.237 8.762 2.582 1.00 0.00 C ATOM 0 H PHE A 60 8.733 10.412 7.261 1.00 0.00 H new ATOM 0 HA PHE A 60 7.867 12.675 5.659 1.00 0.00 H new ATOM 0 HB2 PHE A 60 6.425 10.215 6.725 1.00 0.00 H new ATOM 0 HB3 PHE A 60 5.719 11.390 5.633 1.00 0.00 H new ATOM 0 HD1 PHE A 60 8.282 8.753 5.951 1.00 0.00 H new ATOM 0 HD2 PHE A 60 6.264 11.399 3.290 1.00 0.00 H new ATOM 0 HE1 PHE A 60 9.193 7.517 4.033 1.00 0.00 H new ATOM 0 HE2 PHE A 60 7.172 10.164 1.371 1.00 0.00 H new ATOM 0 HZ PHE A 60 8.634 8.217 1.739 1.00 0.00 H new ATOM 948 N GLY A 61 6.912 12.230 8.778 1.00 0.00 N ATOM 949 CA GLY A 61 6.283 12.900 9.901 1.00 0.00 C ATOM 950 C GLY A 61 4.796 13.107 9.695 1.00 0.00 C ATOM 951 O GLY A 61 4.251 12.828 8.626 1.00 0.00 O ATOM 0 H GLY A 61 7.332 11.327 8.998 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.443 12.313 10.806 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.763 13.866 10.058 1.00 0.00 H new ATOM 955 N PRO A 62 4.114 13.605 10.736 1.00 0.00 N ATOM 956 CA PRO A 62 2.671 13.859 10.689 1.00 0.00 C ATOM 957 C PRO A 62 2.317 15.026 9.773 1.00 0.00 C ATOM 958 O PRO A 62 1.153 15.408 9.662 1.00 0.00 O ATOM 959 CB PRO A 62 2.322 14.195 12.141 1.00 0.00 C ATOM 960 CG PRO A 62 3.591 14.711 12.726 1.00 0.00 C ATOM 961 CD PRO A 62 4.699 13.960 12.040 1.00 0.00 C ATOM 0 HA PRO A 62 2.121 13.007 10.290 1.00 0.00 H new ATOM 0 HB2 PRO A 62 1.529 14.941 12.195 1.00 0.00 H new ATOM 0 HB3 PRO A 62 1.968 13.314 12.677 1.00 0.00 H new ATOM 0 HG2 PRO A 62 3.688 15.784 12.563 1.00 0.00 H new ATOM 0 HG3 PRO A 62 3.618 14.549 13.803 1.00 0.00 H new ATOM 0 HD2 PRO A 62 5.591 14.576 11.926 1.00 0.00 H new ATOM 0 HD3 PRO A 62 4.993 13.074 12.603 1.00 0.00 H new ATOM 969 N GLU A 63 3.330 15.587 9.119 1.00 0.00 N ATOM 970 CA GLU A 63 3.124 16.711 8.213 1.00 0.00 C ATOM 971 C GLU A 63 2.583 16.234 6.869 1.00 0.00 C ATOM 972 O GLU A 63 1.770 16.910 6.238 1.00 0.00 O ATOM 973 CB GLU A 63 4.434 17.475 8.007 1.00 0.00 C ATOM 974 CG GLU A 63 4.821 18.350 9.187 1.00 0.00 C ATOM 975 CD GLU A 63 6.138 19.069 8.973 1.00 0.00 C ATOM 976 OE1 GLU A 63 6.135 20.127 8.310 1.00 0.00 O ATOM 977 OE2 GLU A 63 7.173 18.574 9.468 1.00 0.00 O ATOM 0 H GLU A 63 4.300 15.282 9.200 1.00 0.00 H new ATOM 0 HA GLU A 63 2.390 17.379 8.664 1.00 0.00 H new ATOM 0 HB2 GLU A 63 5.235 16.761 7.817 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.345 18.098 7.117 1.00 0.00 H new ATOM 0 HG2 GLU A 63 4.035 19.084 9.363 1.00 0.00 H new ATOM 0 HG3 GLU A 63 4.889 17.734 10.084 1.00 0.00 H new ATOM 984 N VAL A 64 3.041 15.064 6.435 1.00 0.00 N ATOM 985 CA VAL A 64 2.604 14.495 5.165 1.00 0.00 C ATOM 986 C VAL A 64 1.086 14.367 5.115 1.00 0.00 C ATOM 987 O VAL A 64 0.451 13.978 6.096 1.00 0.00 O ATOM 988 CB VAL A 64 3.234 13.110 4.925 1.00 0.00 C ATOM 989 CG1 VAL A 64 2.887 12.161 6.061 1.00 0.00 C ATOM 990 CG2 VAL A 64 2.779 12.544 3.588 1.00 0.00 C ATOM 0 H VAL A 64 3.715 14.492 6.944 1.00 0.00 H new ATOM 0 HA VAL A 64 2.934 15.177 4.381 1.00 0.00 H new ATOM 0 HB VAL A 64 4.318 13.222 4.897 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.341 11.188 5.874 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.266 12.564 7.000 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.805 12.050 6.125 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.233 11.565 3.434 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.694 12.445 3.585 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.084 13.216 2.786 1.00 0.00 H new ATOM 1000 N THR A 65 0.508 14.695 3.964 1.00 0.00 N ATOM 1001 CA THR A 65 -0.937 14.617 3.784 1.00 0.00 C ATOM 1002 C THR A 65 -1.318 13.439 2.895 1.00 0.00 C ATOM 1003 O THR A 65 -0.454 12.791 2.304 1.00 0.00 O ATOM 1004 CB THR A 65 -1.497 15.913 3.168 1.00 0.00 C ATOM 1005 OG1 THR A 65 -0.911 16.136 1.880 1.00 0.00 O ATOM 1006 CG2 THR A 65 -1.219 17.106 4.070 1.00 0.00 C ATOM 0 H THR A 65 1.018 15.017 3.142 1.00 0.00 H new ATOM 0 HA THR A 65 -1.371 14.477 4.774 1.00 0.00 H new ATOM 0 HB THR A 65 -2.576 15.802 3.062 1.00 0.00 H new ATOM 0 HG1 THR A 65 -1.273 16.961 1.494 1.00 0.00 H new ATOM 0 HG21 THR A 65 -1.624 18.009 3.614 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.691 16.947 5.040 1.00 0.00 H new ATOM 0 HG23 THR A 65 -0.143 17.218 4.204 1.00 0.00 H new ATOM 1014 N ARG A 66 -2.615 13.168 2.804 1.00 0.00 N ATOM 1015 CA ARG A 66 -3.110 12.067 1.986 1.00 0.00 C ATOM 1016 C ARG A 66 -2.574 12.164 0.561 1.00 0.00 C ATOM 1017 O ARG A 66 -2.146 11.168 -0.020 1.00 0.00 O ATOM 1018 CB ARG A 66 -4.640 12.064 1.969 1.00 0.00 C ATOM 1019 CG ARG A 66 -5.244 10.681 1.792 1.00 0.00 C ATOM 1020 CD ARG A 66 -6.653 10.756 1.225 1.00 0.00 C ATOM 1021 NE ARG A 66 -7.642 11.069 2.254 1.00 0.00 N ATOM 1022 CZ ARG A 66 -8.935 10.787 2.141 1.00 0.00 C ATOM 1023 NH1 ARG A 66 -9.393 10.189 1.050 1.00 0.00 N ATOM 1024 NH2 ARG A 66 -9.772 11.103 3.120 1.00 0.00 N ATOM 0 H ARG A 66 -3.343 13.695 3.286 1.00 0.00 H new ATOM 0 HA ARG A 66 -2.757 11.134 2.425 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -5.006 12.495 2.901 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -4.987 12.709 1.162 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -4.614 10.090 1.127 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.264 10.166 2.753 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -6.689 11.516 0.444 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -6.906 9.805 0.756 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.322 11.529 3.106 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -8.752 9.944 0.295 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -10.386 9.973 0.965 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -9.423 11.563 3.961 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -10.765 10.886 3.032 1.00 0.00 H new ATOM 1038 N GLN A 67 -2.604 13.371 0.005 1.00 0.00 N ATOM 1039 CA GLN A 67 -2.122 13.598 -1.353 1.00 0.00 C ATOM 1040 C GLN A 67 -0.768 12.929 -1.569 1.00 0.00 C ATOM 1041 O GLN A 67 -0.601 12.129 -2.489 1.00 0.00 O ATOM 1042 CB GLN A 67 -2.015 15.097 -1.635 1.00 0.00 C ATOM 1043 CG GLN A 67 -3.347 15.752 -1.959 1.00 0.00 C ATOM 1044 CD GLN A 67 -3.188 17.059 -2.711 1.00 0.00 C ATOM 1045 OE1 GLN A 67 -3.130 18.132 -2.109 1.00 0.00 O ATOM 1046 NE2 GLN A 67 -3.116 16.976 -4.034 1.00 0.00 N ATOM 0 H GLN A 67 -2.956 14.206 0.473 1.00 0.00 H new ATOM 0 HA GLN A 67 -2.839 13.156 -2.045 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -1.578 15.591 -0.767 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -1.330 15.253 -2.469 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -3.949 15.066 -2.554 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -3.893 15.934 -1.033 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.168 16.066 -4.491 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -3.008 17.822 -4.593 1.00 0.00 H new ATOM 1055 N GLN A 68 0.194 13.264 -0.716 1.00 0.00 N ATOM 1056 CA GLN A 68 1.533 12.696 -0.815 1.00 0.00 C ATOM 1057 C GLN A 68 1.476 11.173 -0.875 1.00 0.00 C ATOM 1058 O GLN A 68 2.178 10.545 -1.668 1.00 0.00 O ATOM 1059 CB GLN A 68 2.388 13.140 0.374 1.00 0.00 C ATOM 1060 CG GLN A 68 3.067 14.484 0.167 1.00 0.00 C ATOM 1061 CD GLN A 68 4.395 14.362 -0.552 1.00 0.00 C ATOM 1062 OE1 GLN A 68 4.494 14.633 -1.749 1.00 0.00 O ATOM 1063 NE2 GLN A 68 5.428 13.953 0.176 1.00 0.00 N ATOM 0 H GLN A 68 0.071 13.925 0.051 1.00 0.00 H new ATOM 0 HA GLN A 68 1.987 13.061 -1.736 1.00 0.00 H new ATOM 0 HB2 GLN A 68 1.760 13.193 1.263 1.00 0.00 H new ATOM 0 HB3 GLN A 68 3.149 12.384 0.566 1.00 0.00 H new ATOM 0 HG2 GLN A 68 2.407 15.136 -0.405 1.00 0.00 H new ATOM 0 HG3 GLN A 68 3.225 14.960 1.135 1.00 0.00 H new ATOM 0 HE21 GLN A 68 5.302 13.739 1.165 1.00 0.00 H new ATOM 0 HE22 GLN A 68 6.347 13.853 -0.254 1.00 0.00 H new ATOM 1072 N THR A 69 0.635 10.583 -0.030 1.00 0.00 N ATOM 1073 CA THR A 69 0.487 9.134 0.014 1.00 0.00 C ATOM 1074 C THR A 69 0.173 8.571 -1.367 1.00 0.00 C ATOM 1075 O THR A 69 0.849 7.660 -1.845 1.00 0.00 O ATOM 1076 CB THR A 69 -0.624 8.713 0.993 1.00 0.00 C ATOM 1077 OG1 THR A 69 -0.352 9.236 2.298 1.00 0.00 O ATOM 1078 CG2 THR A 69 -0.738 7.197 1.063 1.00 0.00 C ATOM 0 H THR A 69 0.046 11.087 0.633 1.00 0.00 H new ATOM 0 HA THR A 69 1.438 8.729 0.360 1.00 0.00 H new ATOM 0 HB THR A 69 -1.569 9.117 0.630 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.762 10.122 2.387 1.00 0.00 H new ATOM 0 HG21 THR A 69 -1.529 6.923 1.761 1.00 0.00 H new ATOM 0 HG22 THR A 69 -0.974 6.804 0.074 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.208 6.776 1.404 1.00 0.00 H new ATOM 1086 N ILE A 70 -0.857 9.119 -2.004 1.00 0.00 N ATOM 1087 CA ILE A 70 -1.259 8.672 -3.331 1.00 0.00 C ATOM 1088 C ILE A 70 -0.090 8.729 -4.309 1.00 0.00 C ATOM 1089 O ILE A 70 0.131 7.798 -5.082 1.00 0.00 O ATOM 1090 CB ILE A 70 -2.418 9.522 -3.884 1.00 0.00 C ATOM 1091 CG1 ILE A 70 -3.642 9.409 -2.973 1.00 0.00 C ATOM 1092 CG2 ILE A 70 -2.764 9.088 -5.301 1.00 0.00 C ATOM 1093 CD1 ILE A 70 -4.685 10.475 -3.227 1.00 0.00 C ATOM 0 H ILE A 70 -1.428 9.873 -1.622 1.00 0.00 H new ATOM 0 HA ILE A 70 -1.593 7.640 -3.228 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.103 10.565 -3.911 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -4.097 8.428 -3.109 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -3.318 9.469 -1.934 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.585 9.698 -5.678 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.893 9.215 -5.943 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -3.063 8.040 -5.298 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -5.524 10.333 -2.546 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -4.247 11.459 -3.063 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -5.037 10.402 -4.256 1.00 0.00 H new ATOM 1105 N GLN A 71 0.656 9.828 -4.266 1.00 0.00 N ATOM 1106 CA GLN A 71 1.804 10.007 -5.147 1.00 0.00 C ATOM 1107 C GLN A 71 2.744 8.808 -5.066 1.00 0.00 C ATOM 1108 O GLN A 71 3.158 8.259 -6.088 1.00 0.00 O ATOM 1109 CB GLN A 71 2.558 11.287 -4.785 1.00 0.00 C ATOM 1110 CG GLN A 71 2.020 12.527 -5.480 1.00 0.00 C ATOM 1111 CD GLN A 71 2.663 12.764 -6.832 1.00 0.00 C ATOM 1112 OE1 GLN A 71 2.001 12.696 -7.868 1.00 0.00 O ATOM 1113 NE2 GLN A 71 3.961 13.045 -6.830 1.00 0.00 N ATOM 0 H GLN A 71 0.486 10.608 -3.631 1.00 0.00 H new ATOM 0 HA GLN A 71 1.436 10.089 -6.170 1.00 0.00 H new ATOM 0 HB2 GLN A 71 2.509 11.435 -3.706 1.00 0.00 H new ATOM 0 HB3 GLN A 71 3.610 11.164 -5.042 1.00 0.00 H new ATOM 0 HG2 GLN A 71 0.942 12.429 -5.607 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.188 13.397 -4.845 1.00 0.00 H new ATOM 0 HE21 GLN A 71 4.471 13.091 -5.948 1.00 0.00 H new ATOM 0 HE22 GLN A 71 4.447 13.214 -7.710 1.00 0.00 H new ATOM 1122 N LEU A 72 3.079 8.407 -3.844 1.00 0.00 N ATOM 1123 CA LEU A 72 3.971 7.274 -3.629 1.00 0.00 C ATOM 1124 C LEU A 72 3.389 6.000 -4.233 1.00 0.00 C ATOM 1125 O LEU A 72 4.073 5.273 -4.954 1.00 0.00 O ATOM 1126 CB LEU A 72 4.221 7.074 -2.133 1.00 0.00 C ATOM 1127 CG LEU A 72 5.300 6.055 -1.763 1.00 0.00 C ATOM 1128 CD1 LEU A 72 6.666 6.527 -2.238 1.00 0.00 C ATOM 1129 CD2 LEU A 72 5.311 5.810 -0.261 1.00 0.00 C ATOM 0 H LEU A 72 2.746 8.850 -2.988 1.00 0.00 H new ATOM 0 HA LEU A 72 4.918 7.489 -4.124 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.494 8.036 -1.699 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.285 6.768 -1.666 1.00 0.00 H new ATOM 0 HG LEU A 72 5.070 5.114 -2.262 1.00 0.00 H new ATOM 0 HD11 LEU A 72 7.421 5.789 -1.966 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.652 6.650 -3.321 1.00 0.00 H new ATOM 0 HD13 LEU A 72 6.905 7.481 -1.768 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.085 5.082 -0.017 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.516 6.746 0.259 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.340 5.426 0.052 1.00 0.00 H new ATOM 1141 N LEU A 73 2.121 5.736 -3.936 1.00 0.00 N ATOM 1142 CA LEU A 73 1.445 4.551 -4.452 1.00 0.00 C ATOM 1143 C LEU A 73 1.780 4.331 -5.924 1.00 0.00 C ATOM 1144 O LEU A 73 2.047 3.206 -6.348 1.00 0.00 O ATOM 1145 CB LEU A 73 -0.069 4.686 -4.277 1.00 0.00 C ATOM 1146 CG LEU A 73 -0.871 3.386 -4.343 1.00 0.00 C ATOM 1147 CD1 LEU A 73 -0.730 2.606 -3.045 1.00 0.00 C ATOM 1148 CD2 LEU A 73 -2.335 3.677 -4.637 1.00 0.00 C ATOM 0 H LEU A 73 1.541 6.327 -3.341 1.00 0.00 H new ATOM 0 HA LEU A 73 1.795 3.688 -3.885 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.262 5.160 -3.315 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.445 5.361 -5.046 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.473 2.776 -5.154 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.307 1.684 -3.110 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.320 2.366 -2.877 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.101 3.209 -2.216 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.891 2.740 -4.680 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.746 4.307 -3.848 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.418 4.193 -5.594 1.00 0.00 H new ATOM 1160 N ARG A 74 1.765 5.411 -6.697 1.00 0.00 N ATOM 1161 CA ARG A 74 2.069 5.336 -8.121 1.00 0.00 C ATOM 1162 C ARG A 74 3.425 4.677 -8.354 1.00 0.00 C ATOM 1163 O ARG A 74 3.534 3.699 -9.095 1.00 0.00 O ATOM 1164 CB ARG A 74 2.056 6.734 -8.742 1.00 0.00 C ATOM 1165 CG ARG A 74 0.734 7.465 -8.570 1.00 0.00 C ATOM 1166 CD ARG A 74 0.854 8.931 -8.956 1.00 0.00 C ATOM 1167 NE ARG A 74 -0.446 9.526 -9.254 1.00 0.00 N ATOM 1168 CZ ARG A 74 -0.606 10.589 -10.035 1.00 0.00 C ATOM 1169 NH1 ARG A 74 0.447 11.169 -10.594 1.00 0.00 N ATOM 1170 NH2 ARG A 74 -1.821 11.072 -10.259 1.00 0.00 N ATOM 0 H ARG A 74 1.546 6.349 -6.361 1.00 0.00 H new ATOM 0 HA ARG A 74 1.302 4.727 -8.598 1.00 0.00 H new ATOM 0 HB2 ARG A 74 2.851 7.329 -8.293 1.00 0.00 H new ATOM 0 HB3 ARG A 74 2.280 6.652 -9.805 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -0.030 6.987 -9.184 1.00 0.00 H new ATOM 0 HG3 ARG A 74 0.405 7.386 -7.534 1.00 0.00 H new ATOM 0 HD2 ARG A 74 1.327 9.482 -8.144 1.00 0.00 H new ATOM 0 HD3 ARG A 74 1.504 9.025 -9.826 1.00 0.00 H new ATOM 0 HE ARG A 74 -1.276 9.102 -8.840 1.00 0.00 H new ATOM 0 HH11 ARG A 74 1.382 10.799 -10.425 1.00 0.00 H new ATOM 0 HH12 ARG A 74 0.322 11.985 -11.193 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -2.633 10.627 -9.832 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -1.943 11.888 -10.859 1.00 0.00 H new ATOM 1184 N LYS A 75 4.458 5.219 -7.717 1.00 0.00 N ATOM 1185 CA LYS A 75 5.807 4.685 -7.854 1.00 0.00 C ATOM 1186 C LYS A 75 5.819 3.175 -7.639 1.00 0.00 C ATOM 1187 O LYS A 75 6.201 2.414 -8.529 1.00 0.00 O ATOM 1188 CB LYS A 75 6.749 5.360 -6.853 1.00 0.00 C ATOM 1189 CG LYS A 75 7.402 6.622 -7.389 1.00 0.00 C ATOM 1190 CD LYS A 75 8.569 7.058 -6.519 1.00 0.00 C ATOM 1191 CE LYS A 75 9.885 6.486 -7.024 1.00 0.00 C ATOM 1192 NZ LYS A 75 10.210 5.186 -6.373 1.00 0.00 N ATOM 0 H LYS A 75 4.386 6.028 -7.100 1.00 0.00 H new ATOM 0 HA LYS A 75 6.152 4.893 -8.867 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.190 5.605 -5.950 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.527 4.653 -6.565 1.00 0.00 H new ATOM 0 HG2 LYS A 75 7.751 6.448 -8.407 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.664 7.423 -7.437 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.626 8.146 -6.504 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.400 6.733 -5.492 1.00 0.00 H new ATOM 0 HE2 LYS A 75 9.831 6.348 -8.104 1.00 0.00 H new ATOM 0 HE3 LYS A 75 10.688 7.198 -6.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.228 5.147 -6.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 9.672 5.097 -5.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 9.957 4.405 -7.012 1.00 0.00 H new ATOM 1206 N PHE A 76 5.396 2.746 -6.454 1.00 0.00 N ATOM 1207 CA PHE A 76 5.357 1.327 -6.124 1.00 0.00 C ATOM 1208 C PHE A 76 4.851 0.506 -7.307 1.00 0.00 C ATOM 1209 O PHE A 76 5.564 -0.347 -7.836 1.00 0.00 O ATOM 1210 CB PHE A 76 4.463 1.089 -4.905 1.00 0.00 C ATOM 1211 CG PHE A 76 5.090 1.521 -3.609 1.00 0.00 C ATOM 1212 CD1 PHE A 76 6.364 1.100 -3.267 1.00 0.00 C ATOM 1213 CD2 PHE A 76 4.404 2.349 -2.735 1.00 0.00 C ATOM 1214 CE1 PHE A 76 6.942 1.495 -2.075 1.00 0.00 C ATOM 1215 CE2 PHE A 76 4.977 2.748 -1.542 1.00 0.00 C ATOM 1216 CZ PHE A 76 6.248 2.321 -1.212 1.00 0.00 C ATOM 0 H PHE A 76 5.075 3.362 -5.707 1.00 0.00 H new ATOM 0 HA PHE A 76 6.372 1.007 -5.890 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.524 1.626 -5.042 1.00 0.00 H new ATOM 0 HB3 PHE A 76 4.218 0.029 -4.845 1.00 0.00 H new ATOM 0 HD1 PHE A 76 6.912 0.456 -3.939 1.00 0.00 H new ATOM 0 HD2 PHE A 76 3.410 2.687 -2.989 1.00 0.00 H new ATOM 0 HE1 PHE A 76 7.936 1.158 -1.819 1.00 0.00 H new ATOM 0 HE2 PHE A 76 4.431 3.393 -0.869 1.00 0.00 H new ATOM 0 HZ PHE A 76 6.699 2.632 -0.281 1.00 0.00 H new ATOM 1226 N LEU A 77 3.615 0.770 -7.716 1.00 0.00 N ATOM 1227 CA LEU A 77 3.011 0.057 -8.836 1.00 0.00 C ATOM 1228 C LEU A 77 3.926 0.085 -10.056 1.00 0.00 C ATOM 1229 O LEU A 77 4.054 -0.908 -10.773 1.00 0.00 O ATOM 1230 CB LEU A 77 1.656 0.673 -9.188 1.00 0.00 C ATOM 1231 CG LEU A 77 0.956 0.098 -10.420 1.00 0.00 C ATOM 1232 CD1 LEU A 77 0.275 -1.219 -10.081 1.00 0.00 C ATOM 1233 CD2 LEU A 77 -0.051 1.094 -10.975 1.00 0.00 C ATOM 0 H LEU A 77 3.011 1.473 -7.289 1.00 0.00 H new ATOM 0 HA LEU A 77 2.865 -0.981 -8.537 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.993 0.556 -8.331 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.795 1.743 -9.340 1.00 0.00 H new ATOM 0 HG LEU A 77 1.708 -0.092 -11.186 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.218 -1.613 -10.970 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.020 -1.934 -9.732 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.466 -1.055 -9.298 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.539 0.668 -11.851 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.800 1.316 -10.215 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.463 2.013 -11.257 1.00 0.00 H new ATOM 1245 N LYS A 78 4.564 1.228 -10.286 1.00 0.00 N ATOM 1246 CA LYS A 78 5.471 1.385 -11.416 1.00 0.00 C ATOM 1247 C LYS A 78 6.698 0.494 -11.257 1.00 0.00 C ATOM 1248 O LYS A 78 7.184 -0.087 -12.227 1.00 0.00 O ATOM 1249 CB LYS A 78 5.903 2.847 -11.550 1.00 0.00 C ATOM 1250 CG LYS A 78 6.945 3.077 -12.631 1.00 0.00 C ATOM 1251 CD LYS A 78 6.957 4.524 -13.096 1.00 0.00 C ATOM 1252 CE LYS A 78 7.572 5.440 -12.048 1.00 0.00 C ATOM 1253 NZ LYS A 78 8.186 6.650 -12.662 1.00 0.00 N ATOM 0 H LYS A 78 4.469 2.060 -9.704 1.00 0.00 H new ATOM 0 HA LYS A 78 4.941 1.085 -12.320 1.00 0.00 H new ATOM 0 HB2 LYS A 78 5.026 3.458 -11.766 1.00 0.00 H new ATOM 0 HB3 LYS A 78 6.301 3.188 -10.595 1.00 0.00 H new ATOM 0 HG2 LYS A 78 7.930 2.808 -12.251 1.00 0.00 H new ATOM 0 HG3 LYS A 78 6.741 2.423 -13.479 1.00 0.00 H new ATOM 0 HD2 LYS A 78 7.520 4.604 -14.026 1.00 0.00 H new ATOM 0 HD3 LYS A 78 5.938 4.847 -13.311 1.00 0.00 H new ATOM 0 HE2 LYS A 78 6.805 5.744 -11.336 1.00 0.00 H new ATOM 0 HE3 LYS A 78 8.330 4.893 -11.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 8.594 7.249 -11.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 8.935 6.362 -13.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 7.458 7.186 -13.176 1.00 0.00 H new ATOM 1267 N ASN A 79 7.193 0.390 -10.029 1.00 0.00 N ATOM 1268 CA ASN A 79 8.364 -0.431 -9.743 1.00 0.00 C ATOM 1269 C ASN A 79 7.977 -1.901 -9.611 1.00 0.00 C ATOM 1270 O ASN A 79 8.766 -2.722 -9.140 1.00 0.00 O ATOM 1271 CB ASN A 79 9.047 0.045 -8.460 1.00 0.00 C ATOM 1272 CG ASN A 79 9.856 1.311 -8.671 1.00 0.00 C ATOM 1273 OD1 ASN A 79 11.059 1.342 -8.412 1.00 0.00 O ATOM 1274 ND2 ASN A 79 9.196 2.362 -9.144 1.00 0.00 N ATOM 0 H ASN A 79 6.802 0.864 -9.215 1.00 0.00 H new ATOM 0 HA ASN A 79 9.060 -0.329 -10.575 1.00 0.00 H new ATOM 0 HB2 ASN A 79 8.292 0.223 -7.694 1.00 0.00 H new ATOM 0 HB3 ASN A 79 9.701 -0.743 -8.086 1.00 0.00 H new ATOM 0 HD21 ASN A 79 9.687 3.241 -9.307 1.00 0.00 H new ATOM 0 HD22 ASN A 79 8.198 2.290 -9.344 1.00 0.00 H new ATOM 1281 N HIS A 80 6.759 -2.227 -10.030 1.00 0.00 N ATOM 1282 CA HIS A 80 6.267 -3.599 -9.959 1.00 0.00 C ATOM 1283 C HIS A 80 6.186 -4.073 -8.511 1.00 0.00 C ATOM 1284 O HIS A 80 6.374 -5.255 -8.223 1.00 0.00 O ATOM 1285 CB HIS A 80 7.176 -4.530 -10.762 1.00 0.00 C ATOM 1286 CG HIS A 80 6.760 -5.968 -10.706 1.00 0.00 C ATOM 1287 ND1 HIS A 80 7.609 -7.010 -11.015 1.00 0.00 N ATOM 1288 CD2 HIS A 80 5.578 -6.535 -10.370 1.00 0.00 C ATOM 1289 CE1 HIS A 80 6.966 -8.155 -10.875 1.00 0.00 C ATOM 1290 NE2 HIS A 80 5.732 -7.895 -10.484 1.00 0.00 N ATOM 0 H HIS A 80 6.094 -1.560 -10.422 1.00 0.00 H new ATOM 0 HA HIS A 80 5.265 -3.623 -10.387 1.00 0.00 H new ATOM 0 HB2 HIS A 80 7.188 -4.204 -11.802 1.00 0.00 H new ATOM 0 HB3 HIS A 80 8.196 -4.440 -10.388 1.00 0.00 H new ATOM 0 HD2 HIS A 80 4.681 -6.015 -10.068 1.00 0.00 H new ATOM 0 HE1 HIS A 80 7.379 -9.137 -11.051 1.00 0.00 H new ATOM 0 HE2 HIS A 80 5.010 -8.591 -10.297 1.00 0.00 H new ATOM 1298 N VAL A 81 5.904 -3.143 -7.604 1.00 0.00 N ATOM 1299 CA VAL A 81 5.798 -3.466 -6.186 1.00 0.00 C ATOM 1300 C VAL A 81 4.408 -3.991 -5.845 1.00 0.00 C ATOM 1301 O VAL A 81 4.246 -4.803 -4.933 1.00 0.00 O ATOM 1302 CB VAL A 81 6.101 -2.238 -5.307 1.00 0.00 C ATOM 1303 CG1 VAL A 81 5.850 -2.557 -3.840 1.00 0.00 C ATOM 1304 CG2 VAL A 81 7.532 -1.769 -5.522 1.00 0.00 C ATOM 0 H VAL A 81 5.745 -2.160 -7.826 1.00 0.00 H new ATOM 0 HA VAL A 81 6.536 -4.241 -5.981 1.00 0.00 H new ATOM 0 HB VAL A 81 5.431 -1.429 -5.598 1.00 0.00 H new ATOM 0 HG11 VAL A 81 6.069 -1.678 -3.234 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.807 -2.841 -3.703 1.00 0.00 H new ATOM 0 HG13 VAL A 81 6.494 -3.380 -3.531 1.00 0.00 H new ATOM 0 HG21 VAL A 81 7.729 -0.901 -4.893 1.00 0.00 H new ATOM 0 HG22 VAL A 81 8.221 -2.571 -5.259 1.00 0.00 H new ATOM 0 HG23 VAL A 81 7.673 -1.498 -6.568 1.00 0.00 H new ATOM 1314 N ILE A 82 3.407 -3.523 -6.584 1.00 0.00 N ATOM 1315 CA ILE A 82 2.030 -3.947 -6.361 1.00 0.00 C ATOM 1316 C ILE A 82 1.312 -4.198 -7.682 1.00 0.00 C ATOM 1317 O ILE A 82 1.292 -3.339 -8.562 1.00 0.00 O ATOM 1318 CB ILE A 82 1.243 -2.900 -5.552 1.00 0.00 C ATOM 1319 CG1 ILE A 82 1.401 -1.514 -6.180 1.00 0.00 C ATOM 1320 CG2 ILE A 82 1.710 -2.887 -4.104 1.00 0.00 C ATOM 1321 CD1 ILE A 82 0.468 -0.476 -5.597 1.00 0.00 C ATOM 0 H ILE A 82 3.524 -2.850 -7.342 1.00 0.00 H new ATOM 0 HA ILE A 82 2.073 -4.876 -5.792 1.00 0.00 H new ATOM 0 HB ILE A 82 0.187 -3.169 -5.570 1.00 0.00 H new ATOM 0 HG12 ILE A 82 2.430 -1.180 -6.049 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.224 -1.588 -7.253 1.00 0.00 H new ATOM 0 HG21 ILE A 82 1.144 -2.141 -3.546 1.00 0.00 H new ATOM 0 HG22 ILE A 82 1.550 -3.870 -3.661 1.00 0.00 H new ATOM 0 HG23 ILE A 82 2.771 -2.640 -4.066 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.636 0.482 -6.090 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -0.565 -0.788 -5.752 1.00 0.00 H new ATOM 0 HD13 ILE A 82 0.660 -0.373 -4.529 1.00 0.00 H new ATOM 1333 N GLU A 83 0.720 -5.382 -7.812 1.00 0.00 N ATOM 1334 CA GLU A 83 -0.001 -5.745 -9.026 1.00 0.00 C ATOM 1335 C GLU A 83 -1.509 -5.662 -8.809 1.00 0.00 C ATOM 1336 O GLU A 83 -2.019 -6.063 -7.763 1.00 0.00 O ATOM 1337 CB GLU A 83 0.383 -7.158 -9.471 1.00 0.00 C ATOM 1338 CG GLU A 83 -0.703 -7.863 -10.265 1.00 0.00 C ATOM 1339 CD GLU A 83 -0.209 -9.132 -10.932 1.00 0.00 C ATOM 1340 OE1 GLU A 83 0.785 -9.057 -11.684 1.00 0.00 O ATOM 1341 OE2 GLU A 83 -0.815 -10.199 -10.702 1.00 0.00 O ATOM 0 H GLU A 83 0.726 -6.105 -7.092 1.00 0.00 H new ATOM 0 HA GLU A 83 0.276 -5.037 -9.807 1.00 0.00 H new ATOM 0 HB2 GLU A 83 1.288 -7.106 -10.077 1.00 0.00 H new ATOM 0 HB3 GLU A 83 0.623 -7.754 -8.591 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -1.533 -8.105 -9.602 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -1.090 -7.185 -11.025 1.00 0.00 H new ATOM 1348 N ASP A 84 -2.216 -5.136 -9.803 1.00 0.00 N ATOM 1349 CA ASP A 84 -3.665 -5.000 -9.722 1.00 0.00 C ATOM 1350 C ASP A 84 -4.351 -6.347 -9.929 1.00 0.00 C ATOM 1351 O ASP A 84 -3.800 -7.242 -10.571 1.00 0.00 O ATOM 1352 CB ASP A 84 -4.163 -3.995 -10.763 1.00 0.00 C ATOM 1353 CG ASP A 84 -5.601 -3.580 -10.525 1.00 0.00 C ATOM 1354 OD1 ASP A 84 -6.511 -4.342 -10.913 1.00 0.00 O ATOM 1355 OD2 ASP A 84 -5.818 -2.492 -9.951 1.00 0.00 O ATOM 0 H ASP A 84 -1.809 -4.797 -10.674 1.00 0.00 H new ATOM 0 HA ASP A 84 -3.915 -4.635 -8.726 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -3.525 -3.111 -10.745 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -4.074 -4.432 -11.758 1.00 0.00 H new ATOM 1360 N ILE A 85 -5.554 -6.483 -9.381 1.00 0.00 N ATOM 1361 CA ILE A 85 -6.313 -7.721 -9.506 1.00 0.00 C ATOM 1362 C ILE A 85 -6.484 -8.116 -10.969 1.00 0.00 C ATOM 1363 O ILE A 85 -6.691 -9.287 -11.287 1.00 0.00 O ATOM 1364 CB ILE A 85 -7.703 -7.596 -8.854 1.00 0.00 C ATOM 1365 CG1 ILE A 85 -8.469 -8.915 -8.979 1.00 0.00 C ATOM 1366 CG2 ILE A 85 -8.487 -6.459 -9.492 1.00 0.00 C ATOM 1367 CD1 ILE A 85 -9.463 -9.144 -7.862 1.00 0.00 C ATOM 0 H ILE A 85 -6.023 -5.752 -8.847 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.745 -8.494 -8.988 1.00 0.00 H new ATOM 0 HB ILE A 85 -7.573 -7.372 -7.795 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.996 -8.931 -9.933 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -7.756 -9.740 -8.995 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -9.467 -6.383 -9.021 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -7.946 -5.523 -9.356 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -8.611 -6.655 -10.557 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -9.969 -10.097 -8.015 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -8.939 -9.161 -6.906 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -10.198 -8.339 -7.859 1.00 0.00 H new ATOM 1379 N LYS A 86 -6.394 -7.131 -11.856 1.00 0.00 N ATOM 1380 CA LYS A 86 -6.535 -7.375 -13.287 1.00 0.00 C ATOM 1381 C LYS A 86 -5.171 -7.561 -13.944 1.00 0.00 C ATOM 1382 O LYS A 86 -4.992 -8.438 -14.788 1.00 0.00 O ATOM 1383 CB LYS A 86 -7.279 -6.215 -13.952 1.00 0.00 C ATOM 1384 CG LYS A 86 -8.782 -6.253 -13.736 1.00 0.00 C ATOM 1385 CD LYS A 86 -9.434 -7.362 -14.545 1.00 0.00 C ATOM 1386 CE LYS A 86 -10.712 -7.856 -13.885 1.00 0.00 C ATOM 1387 NZ LYS A 86 -10.432 -8.822 -12.787 1.00 0.00 N ATOM 0 H LYS A 86 -6.224 -6.156 -11.609 1.00 0.00 H new ATOM 0 HA LYS A 86 -7.110 -8.291 -13.419 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -6.888 -5.274 -13.565 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -7.074 -6.229 -15.022 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -8.995 -6.401 -12.677 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -9.215 -5.293 -14.017 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -9.658 -6.999 -15.548 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -8.736 -8.192 -14.655 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -11.268 -7.006 -13.488 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -11.347 -8.331 -14.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -11.329 -9.135 -12.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -9.924 -9.645 -13.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -9.847 -8.362 -12.060 1.00 0.00 H new ATOM 1401 N GLY A 87 -4.211 -6.730 -13.550 1.00 0.00 N ATOM 1402 CA GLY A 87 -2.875 -6.821 -14.110 1.00 0.00 C ATOM 1403 C GLY A 87 -2.471 -5.563 -14.853 1.00 0.00 C ATOM 1404 O GLY A 87 -2.049 -5.625 -16.008 1.00 0.00 O ATOM 0 H GLY A 87 -4.334 -5.995 -12.853 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -2.161 -7.011 -13.309 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -2.826 -7.672 -14.789 1.00 0.00 H new ATOM 1408 N ARG A 88 -2.602 -4.419 -14.190 1.00 0.00 N ATOM 1409 CA ARG A 88 -2.250 -3.141 -14.797 1.00 0.00 C ATOM 1410 C ARG A 88 -0.930 -2.619 -14.237 1.00 0.00 C ATOM 1411 O ARG A 88 -0.616 -1.435 -14.363 1.00 0.00 O ATOM 1412 CB ARG A 88 -3.359 -2.115 -14.556 1.00 0.00 C ATOM 1413 CG ARG A 88 -4.710 -2.538 -15.110 1.00 0.00 C ATOM 1414 CD ARG A 88 -5.579 -1.334 -15.439 1.00 0.00 C ATOM 1415 NE ARG A 88 -6.500 -1.609 -16.539 1.00 0.00 N ATOM 1416 CZ ARG A 88 -7.642 -0.954 -16.721 1.00 0.00 C ATOM 1417 NH1 ARG A 88 -8.000 0.008 -15.882 1.00 0.00 N ATOM 1418 NH2 ARG A 88 -8.427 -1.262 -17.746 1.00 0.00 N ATOM 0 H ARG A 88 -2.949 -4.351 -13.233 1.00 0.00 H new ATOM 0 HA ARG A 88 -2.135 -3.296 -15.870 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -3.454 -1.940 -13.484 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -3.070 -1.167 -15.010 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -4.564 -3.139 -16.008 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -5.221 -3.169 -14.383 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -6.146 -1.044 -14.555 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -4.943 -0.488 -15.701 1.00 0.00 H new ATOM 0 HE ARG A 88 -6.253 -2.343 -17.203 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -7.398 0.247 -15.094 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -8.877 0.509 -16.025 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -8.154 -2.001 -18.394 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -9.304 -0.760 -17.886 1.00 0.00 H new ATOM 1432 N TRP A 89 -0.162 -3.509 -13.619 1.00 0.00 N ATOM 1433 CA TRP A 89 1.124 -3.137 -13.039 1.00 0.00 C ATOM 1434 C TRP A 89 2.048 -2.548 -14.098 1.00 0.00 C ATOM 1435 O TRP A 89 1.969 -2.904 -15.273 1.00 0.00 O ATOM 1436 CB TRP A 89 1.784 -4.354 -12.389 1.00 0.00 C ATOM 1437 CG TRP A 89 2.086 -5.456 -13.359 1.00 0.00 C ATOM 1438 CD1 TRP A 89 1.185 -6.289 -13.959 1.00 0.00 C ATOM 1439 CD2 TRP A 89 3.377 -5.844 -13.840 1.00 0.00 C ATOM 1440 NE1 TRP A 89 1.840 -7.172 -14.784 1.00 0.00 N ATOM 1441 CE2 TRP A 89 3.185 -6.920 -14.729 1.00 0.00 C ATOM 1442 CE3 TRP A 89 4.677 -5.387 -13.607 1.00 0.00 C ATOM 1443 CZ2 TRP A 89 4.244 -7.543 -15.382 1.00 0.00 C ATOM 1444 CZ3 TRP A 89 5.727 -6.008 -14.256 1.00 0.00 C ATOM 1445 CH2 TRP A 89 5.506 -7.076 -15.136 1.00 0.00 C ATOM 0 H TRP A 89 -0.407 -4.493 -13.506 1.00 0.00 H new ATOM 0 HA TRP A 89 0.945 -2.379 -12.277 1.00 0.00 H new ATOM 0 HB2 TRP A 89 2.710 -4.041 -11.906 1.00 0.00 H new ATOM 0 HB3 TRP A 89 1.130 -4.738 -11.606 1.00 0.00 H new ATOM 0 HD1 TRP A 89 0.116 -6.258 -13.808 1.00 0.00 H new ATOM 0 HE1 TRP A 89 1.396 -7.898 -15.346 1.00 0.00 H new ATOM 0 HE3 TRP A 89 4.858 -4.563 -12.932 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 4.075 -8.367 -16.060 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 6.736 -5.664 -14.082 1.00 0.00 H new ATOM 0 HH2 TRP A 89 6.348 -7.539 -15.629 1.00 0.00 H new ATOM 1456 N GLY A 90 2.926 -1.643 -13.675 1.00 0.00 N ATOM 1457 CA GLY A 90 3.854 -1.019 -14.600 1.00 0.00 C ATOM 1458 C GLY A 90 3.616 0.471 -14.743 1.00 0.00 C ATOM 1459 O GLY A 90 4.563 1.251 -14.840 1.00 0.00 O ATOM 0 H GLY A 90 3.011 -1.331 -12.708 1.00 0.00 H new ATOM 0 HA2 GLY A 90 4.874 -1.190 -14.257 1.00 0.00 H new ATOM 0 HA3 GLY A 90 3.763 -1.494 -15.577 1.00 0.00 H new ATOM 1463 N SER A 91 2.347 0.867 -14.757 1.00 0.00 N ATOM 1464 CA SER A 91 1.987 2.274 -14.895 1.00 0.00 C ATOM 1465 C SER A 91 2.074 2.991 -13.551 1.00 0.00 C ATOM 1466 O SER A 91 2.262 2.361 -12.511 1.00 0.00 O ATOM 1467 CB SER A 91 0.574 2.407 -15.467 1.00 0.00 C ATOM 1468 OG SER A 91 0.512 1.911 -16.793 1.00 0.00 O ATOM 0 H SER A 91 1.551 0.234 -14.675 1.00 0.00 H new ATOM 0 HA SER A 91 2.694 2.739 -15.582 1.00 0.00 H new ATOM 0 HB2 SER A 91 -0.129 1.861 -14.838 1.00 0.00 H new ATOM 0 HB3 SER A 91 0.269 3.453 -15.452 1.00 0.00 H new ATOM 0 HG SER A 91 -0.401 2.006 -17.135 1.00 0.00 H new ATOM 1474 N GLU A 92 1.934 4.312 -13.582 1.00 0.00 N ATOM 1475 CA GLU A 92 1.997 5.115 -12.367 1.00 0.00 C ATOM 1476 C GLU A 92 0.665 5.814 -12.106 1.00 0.00 C ATOM 1477 O GLU A 92 0.593 6.767 -11.331 1.00 0.00 O ATOM 1478 CB GLU A 92 3.117 6.152 -12.472 1.00 0.00 C ATOM 1479 CG GLU A 92 2.784 7.317 -13.389 1.00 0.00 C ATOM 1480 CD GLU A 92 4.017 8.082 -13.831 1.00 0.00 C ATOM 1481 OE1 GLU A 92 4.817 7.521 -14.608 1.00 0.00 O ATOM 1482 OE2 GLU A 92 4.180 9.243 -13.399 1.00 0.00 O ATOM 0 H GLU A 92 1.776 4.849 -14.435 1.00 0.00 H new ATOM 0 HA GLU A 92 2.207 4.447 -11.532 1.00 0.00 H new ATOM 0 HB2 GLU A 92 3.339 6.536 -11.477 1.00 0.00 H new ATOM 0 HB3 GLU A 92 4.021 5.663 -12.834 1.00 0.00 H new ATOM 0 HG2 GLU A 92 2.258 6.944 -14.268 1.00 0.00 H new ATOM 0 HG3 GLU A 92 2.104 7.996 -12.875 1.00 0.00 H new ATOM 1489 N ASN A 93 -0.387 5.332 -12.761 1.00 0.00 N ATOM 1490 CA ASN A 93 -1.716 5.910 -12.601 1.00 0.00 C ATOM 1491 C ASN A 93 -2.528 5.131 -11.572 1.00 0.00 C ATOM 1492 O ASN A 93 -2.992 4.022 -11.841 1.00 0.00 O ATOM 1493 CB ASN A 93 -2.452 5.926 -13.943 1.00 0.00 C ATOM 1494 CG ASN A 93 -3.606 6.910 -13.957 1.00 0.00 C ATOM 1495 OD1 ASN A 93 -3.816 7.651 -12.997 1.00 0.00 O ATOM 1496 ND2 ASN A 93 -4.361 6.920 -15.050 1.00 0.00 N ATOM 0 H ASN A 93 -0.344 4.544 -13.407 1.00 0.00 H new ATOM 0 HA ASN A 93 -1.600 6.934 -12.245 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -1.750 6.182 -14.736 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -2.828 4.926 -14.160 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -5.152 7.560 -15.117 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -4.149 6.288 -15.822 1.00 0.00 H new ATOM 1503 N VAL A 94 -2.698 5.718 -10.391 1.00 0.00 N ATOM 1504 CA VAL A 94 -3.455 5.080 -9.322 1.00 0.00 C ATOM 1505 C VAL A 94 -4.301 6.098 -8.565 1.00 0.00 C ATOM 1506 O VAL A 94 -3.782 7.081 -8.036 1.00 0.00 O ATOM 1507 CB VAL A 94 -2.525 4.361 -8.327 1.00 0.00 C ATOM 1508 CG1 VAL A 94 -1.739 3.264 -9.028 1.00 0.00 C ATOM 1509 CG2 VAL A 94 -1.588 5.356 -7.659 1.00 0.00 C ATOM 0 H VAL A 94 -2.321 6.635 -10.151 1.00 0.00 H new ATOM 0 HA VAL A 94 -4.109 4.346 -9.792 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.138 3.898 -7.553 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -1.087 2.767 -8.309 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -2.430 2.537 -9.454 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -1.135 3.701 -9.824 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -0.938 4.831 -6.959 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -0.981 5.850 -8.418 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -2.173 6.102 -7.121 1.00 0.00 H new ATOM 1519 N ASP A 95 -5.606 5.855 -8.517 1.00 0.00 N ATOM 1520 CA ASP A 95 -6.525 6.750 -7.823 1.00 0.00 C ATOM 1521 C ASP A 95 -7.023 6.119 -6.526 1.00 0.00 C ATOM 1522 O ASP A 95 -6.688 4.977 -6.212 1.00 0.00 O ATOM 1523 CB ASP A 95 -7.711 7.097 -8.724 1.00 0.00 C ATOM 1524 CG ASP A 95 -7.413 8.257 -9.653 1.00 0.00 C ATOM 1525 OD1 ASP A 95 -7.282 9.395 -9.157 1.00 0.00 O ATOM 1526 OD2 ASP A 95 -7.311 8.027 -10.877 1.00 0.00 O ATOM 0 H ASP A 95 -6.051 5.046 -8.950 1.00 0.00 H new ATOM 0 HA ASP A 95 -5.986 7.665 -7.577 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -7.982 6.222 -9.315 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -8.574 7.343 -8.105 1.00 0.00 H new ATOM 1531 N ASP A 96 -7.824 6.870 -5.778 1.00 0.00 N ATOM 1532 CA ASP A 96 -8.368 6.384 -4.515 1.00 0.00 C ATOM 1533 C ASP A 96 -9.582 5.492 -4.754 1.00 0.00 C ATOM 1534 O ASP A 96 -10.335 5.192 -3.829 1.00 0.00 O ATOM 1535 CB ASP A 96 -8.752 7.560 -3.615 1.00 0.00 C ATOM 1536 CG ASP A 96 -10.171 8.036 -3.859 1.00 0.00 C ATOM 1537 OD1 ASP A 96 -10.617 8.000 -5.025 1.00 0.00 O ATOM 1538 OD2 ASP A 96 -10.835 8.443 -2.883 1.00 0.00 O ATOM 0 H ASP A 96 -8.111 7.817 -6.024 1.00 0.00 H new ATOM 0 HA ASP A 96 -7.598 5.793 -4.019 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -8.645 7.265 -2.571 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -8.061 8.385 -3.785 1.00 0.00 H new ATOM 1543 N ASN A 97 -9.766 5.073 -6.002 1.00 0.00 N ATOM 1544 CA ASN A 97 -10.890 4.217 -6.363 1.00 0.00 C ATOM 1545 C ASN A 97 -10.880 2.932 -5.541 1.00 0.00 C ATOM 1546 O ASN A 97 -9.934 2.663 -4.802 1.00 0.00 O ATOM 1547 CB ASN A 97 -10.844 3.882 -7.855 1.00 0.00 C ATOM 1548 CG ASN A 97 -10.682 5.117 -8.720 1.00 0.00 C ATOM 1549 OD1 ASN A 97 -11.234 6.175 -8.420 1.00 0.00 O ATOM 1550 ND2 ASN A 97 -9.921 4.986 -9.801 1.00 0.00 N ATOM 0 H ASN A 97 -9.151 5.312 -6.780 1.00 0.00 H new ATOM 0 HA ASN A 97 -11.811 4.758 -6.148 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -10.018 3.197 -8.046 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -11.760 3.362 -8.136 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -9.775 5.782 -10.421 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -9.483 4.089 -10.011 1.00 0.00 H new ATOM 1557 N ASN A 98 -11.940 2.141 -5.677 1.00 0.00 N ATOM 1558 CA ASN A 98 -12.053 0.883 -4.947 1.00 0.00 C ATOM 1559 C ASN A 98 -11.384 -0.253 -5.713 1.00 0.00 C ATOM 1560 O ASN A 98 -11.631 -1.428 -5.442 1.00 0.00 O ATOM 1561 CB ASN A 98 -13.525 0.547 -4.696 1.00 0.00 C ATOM 1562 CG ASN A 98 -14.359 0.621 -5.960 1.00 0.00 C ATOM 1563 OD1 ASN A 98 -15.266 1.446 -6.070 1.00 0.00 O ATOM 1564 ND2 ASN A 98 -14.054 -0.242 -6.922 1.00 0.00 N ATOM 0 H ASN A 98 -12.732 2.349 -6.285 1.00 0.00 H new ATOM 0 HA ASN A 98 -11.545 1.000 -3.990 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -13.599 -0.455 -4.273 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -13.931 1.236 -3.955 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -14.580 -0.238 -7.796 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -13.294 -0.908 -6.787 1.00 0.00 H new ATOM 1571 N GLN A 99 -10.535 0.106 -6.671 1.00 0.00 N ATOM 1572 CA GLN A 99 -9.830 -0.884 -7.477 1.00 0.00 C ATOM 1573 C GLN A 99 -8.995 -1.808 -6.596 1.00 0.00 C ATOM 1574 O GLN A 99 -7.970 -1.402 -6.048 1.00 0.00 O ATOM 1575 CB GLN A 99 -8.932 -0.191 -8.503 1.00 0.00 C ATOM 1576 CG GLN A 99 -9.702 0.595 -9.553 1.00 0.00 C ATOM 1577 CD GLN A 99 -8.862 0.919 -10.772 1.00 0.00 C ATOM 1578 OE1 GLN A 99 -7.813 0.315 -10.996 1.00 0.00 O ATOM 1579 NE2 GLN A 99 -9.319 1.878 -11.569 1.00 0.00 N ATOM 0 H GLN A 99 -10.319 1.074 -6.908 1.00 0.00 H new ATOM 0 HA GLN A 99 -10.573 -1.485 -8.001 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -8.253 0.484 -7.982 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -8.317 -0.941 -9.001 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -10.577 0.022 -9.861 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -10.068 1.522 -9.112 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -10.194 2.353 -11.346 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -8.795 2.139 -12.404 1.00 0.00 H new ATOM 1588 N LEU A 100 -9.441 -3.052 -6.464 1.00 0.00 N ATOM 1589 CA LEU A 100 -8.736 -4.035 -5.649 1.00 0.00 C ATOM 1590 C LEU A 100 -7.290 -4.188 -6.111 1.00 0.00 C ATOM 1591 O LEU A 100 -6.991 -4.069 -7.299 1.00 0.00 O ATOM 1592 CB LEU A 100 -9.449 -5.387 -5.714 1.00 0.00 C ATOM 1593 CG LEU A 100 -10.811 -5.461 -5.022 1.00 0.00 C ATOM 1594 CD1 LEU A 100 -11.605 -6.653 -5.532 1.00 0.00 C ATOM 1595 CD2 LEU A 100 -10.638 -5.539 -3.512 1.00 0.00 C ATOM 0 H LEU A 100 -10.288 -3.404 -6.911 1.00 0.00 H new ATOM 0 HA LEU A 100 -8.734 -3.681 -4.618 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -9.581 -5.656 -6.762 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -8.797 -6.141 -5.272 1.00 0.00 H new ATOM 0 HG LEU A 100 -11.367 -4.553 -5.258 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -12.571 -6.689 -5.028 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -11.760 -6.554 -6.606 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -11.055 -7.571 -5.327 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -11.617 -5.591 -3.036 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -10.063 -6.429 -3.257 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -10.110 -4.653 -3.160 1.00 0.00 H new ATOM 1607 N PHE A 101 -6.397 -4.455 -5.163 1.00 0.00 N ATOM 1608 CA PHE A 101 -4.982 -4.625 -5.473 1.00 0.00 C ATOM 1609 C PHE A 101 -4.434 -5.895 -4.827 1.00 0.00 C ATOM 1610 O PHE A 101 -5.054 -6.466 -3.931 1.00 0.00 O ATOM 1611 CB PHE A 101 -4.183 -3.411 -4.995 1.00 0.00 C ATOM 1612 CG PHE A 101 -4.271 -2.233 -5.922 1.00 0.00 C ATOM 1613 CD1 PHE A 101 -5.282 -1.297 -5.782 1.00 0.00 C ATOM 1614 CD2 PHE A 101 -3.341 -2.062 -6.936 1.00 0.00 C ATOM 1615 CE1 PHE A 101 -5.365 -0.212 -6.634 1.00 0.00 C ATOM 1616 CE2 PHE A 101 -3.419 -0.979 -7.790 1.00 0.00 C ATOM 1617 CZ PHE A 101 -4.433 -0.053 -7.640 1.00 0.00 C ATOM 0 H PHE A 101 -6.628 -4.558 -4.175 1.00 0.00 H new ATOM 0 HA PHE A 101 -4.881 -4.714 -6.555 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -4.542 -3.115 -4.009 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -3.137 -3.696 -4.881 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -6.015 -1.416 -4.997 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -2.547 -2.783 -7.060 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -6.158 0.511 -6.513 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -2.687 -0.856 -8.575 1.00 0.00 H new ATOM 0 HZ PHE A 101 -4.497 0.793 -8.308 1.00 0.00 H new ATOM 1627 N ARG A 102 -3.267 -6.330 -5.291 1.00 0.00 N ATOM 1628 CA ARG A 102 -2.635 -7.533 -4.761 1.00 0.00 C ATOM 1629 C ARG A 102 -1.133 -7.522 -5.031 1.00 0.00 C ATOM 1630 O ARG A 102 -0.695 -7.242 -6.147 1.00 0.00 O ATOM 1631 CB ARG A 102 -3.266 -8.781 -5.380 1.00 0.00 C ATOM 1632 CG ARG A 102 -3.126 -8.849 -6.891 1.00 0.00 C ATOM 1633 CD ARG A 102 -3.952 -9.984 -7.477 1.00 0.00 C ATOM 1634 NE ARG A 102 -3.201 -11.235 -7.533 1.00 0.00 N ATOM 1635 CZ ARG A 102 -3.771 -12.430 -7.647 1.00 0.00 C ATOM 1636 NH1 ARG A 102 -5.091 -12.534 -7.716 1.00 0.00 N ATOM 1637 NH2 ARG A 102 -3.020 -13.523 -7.691 1.00 0.00 N ATOM 0 H ARG A 102 -2.740 -5.868 -6.032 1.00 0.00 H new ATOM 0 HA ARG A 102 -2.793 -7.551 -3.683 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -2.806 -9.666 -4.941 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -4.324 -8.810 -5.120 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -3.443 -7.903 -7.330 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -2.077 -8.987 -7.154 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -4.850 -10.127 -6.876 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -4.280 -9.713 -8.480 1.00 0.00 H new ATOM 0 HE ARG A 102 -2.183 -11.189 -7.482 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -5.671 -11.696 -7.682 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -5.526 -13.452 -7.804 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -2.004 -13.446 -7.637 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -3.458 -14.440 -7.778 1.00 0.00 H new ATOM 1651 N PHE A 103 -0.350 -7.828 -4.002 1.00 0.00 N ATOM 1652 CA PHE A 103 1.103 -7.852 -4.128 1.00 0.00 C ATOM 1653 C PHE A 103 1.561 -9.081 -4.908 1.00 0.00 C ATOM 1654 O PHE A 103 1.089 -10.197 -4.689 1.00 0.00 O ATOM 1655 CB PHE A 103 1.756 -7.838 -2.745 1.00 0.00 C ATOM 1656 CG PHE A 103 3.094 -7.156 -2.720 1.00 0.00 C ATOM 1657 CD1 PHE A 103 4.231 -7.816 -3.158 1.00 0.00 C ATOM 1658 CD2 PHE A 103 3.214 -5.855 -2.260 1.00 0.00 C ATOM 1659 CE1 PHE A 103 5.463 -7.190 -3.135 1.00 0.00 C ATOM 1660 CE2 PHE A 103 4.444 -5.224 -2.235 1.00 0.00 C ATOM 1661 CZ PHE A 103 5.570 -5.892 -2.675 1.00 0.00 C ATOM 0 H PHE A 103 -0.697 -8.063 -3.072 1.00 0.00 H new ATOM 0 HA PHE A 103 1.410 -6.961 -4.676 1.00 0.00 H new ATOM 0 HB2 PHE A 103 1.089 -7.338 -2.042 1.00 0.00 H new ATOM 0 HB3 PHE A 103 1.874 -8.864 -2.397 1.00 0.00 H new ATOM 0 HD1 PHE A 103 4.154 -8.830 -3.521 1.00 0.00 H new ATOM 0 HD2 PHE A 103 2.336 -5.327 -1.917 1.00 0.00 H new ATOM 0 HE1 PHE A 103 6.342 -7.716 -3.477 1.00 0.00 H new ATOM 0 HE2 PHE A 103 4.524 -4.210 -1.872 1.00 0.00 H new ATOM 0 HZ PHE A 103 6.532 -5.401 -2.659 1.00 0.00 H new ATOM 1671 N PRO A 104 2.503 -8.873 -5.840 1.00 0.00 N ATOM 1672 CA PRO A 104 3.046 -9.952 -6.671 1.00 0.00 C ATOM 1673 C PRO A 104 3.912 -10.920 -5.872 1.00 0.00 C ATOM 1674 O PRO A 104 4.214 -10.677 -4.704 1.00 0.00 O ATOM 1675 CB PRO A 104 3.892 -9.209 -7.708 1.00 0.00 C ATOM 1676 CG PRO A 104 4.268 -7.929 -7.044 1.00 0.00 C ATOM 1677 CD PRO A 104 3.111 -7.569 -6.154 1.00 0.00 C ATOM 0 HA PRO A 104 2.258 -10.568 -7.105 1.00 0.00 H new ATOM 0 HB2 PRO A 104 4.775 -9.785 -7.985 1.00 0.00 H new ATOM 0 HB3 PRO A 104 3.328 -9.029 -8.623 1.00 0.00 H new ATOM 0 HG2 PRO A 104 5.184 -8.044 -6.465 1.00 0.00 H new ATOM 0 HG3 PRO A 104 4.452 -7.147 -7.780 1.00 0.00 H new ATOM 0 HD2 PRO A 104 3.443 -7.053 -5.253 1.00 0.00 H new ATOM 0 HD3 PRO A 104 2.406 -6.908 -6.659 1.00 0.00 H new ATOM 1685 N ALA A 105 4.308 -12.016 -6.509 1.00 0.00 N ATOM 1686 CA ALA A 105 5.141 -13.019 -5.858 1.00 0.00 C ATOM 1687 C ALA A 105 6.586 -12.929 -6.338 1.00 0.00 C ATOM 1688 O ALA A 105 6.844 -12.692 -7.519 1.00 0.00 O ATOM 1689 CB ALA A 105 4.585 -14.413 -6.111 1.00 0.00 C ATOM 0 H ALA A 105 4.065 -12.232 -7.476 1.00 0.00 H new ATOM 0 HA ALA A 105 5.129 -12.824 -4.786 1.00 0.00 H new ATOM 0 HB1 ALA A 105 5.217 -15.152 -5.619 1.00 0.00 H new ATOM 0 HB2 ALA A 105 3.573 -14.479 -5.713 1.00 0.00 H new ATOM 0 HB3 ALA A 105 4.566 -14.608 -7.183 1.00 0.00 H new TER 1695 ALA A 105