USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 564 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.135 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 14 CYS SG : rot -74:sc= -5.64! USER MOD Single : A 22 ASN : amide:sc= 0.0722 X(o=0.072,f=-0.0039) USER MOD Single : A 23 GLN : amide:sc= -0.0123 X(o=-0.012,f=-0.38) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0.22) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.148) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.0372) USER MOD Single : A 47 TYR OH : rot 180:sc= -1.21 USER MOD Single : A 49 HIS : no HE2:sc= 0.995 K(o=0.99,f=-5.4!) USER MOD Single : A 50 TYR OH : rot 80:sc= 0.0401 USER MOD Single : A 54 ASN : amide:sc= -0.236 K(o=-0.24,f=-1.8) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.121 USER MOD Single : A 63 HIS : no HD1:sc= -3.1! C(o=-3.1!,f=-1.6!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.085 -11.583 11.574 1.00 0.00 N ATOM 2 CA GLY A 1 18.630 -12.721 10.794 1.00 0.00 C ATOM 3 C GLY A 1 18.593 -12.383 9.301 1.00 0.00 C ATOM 4 O GLY A 1 17.562 -11.960 8.783 1.00 0.00 O ATOM 0 H1 GLY A 1 19.101 -11.837 12.582 1.00 0.00 H new ATOM 0 H2 GLY A 1 20.042 -11.314 11.269 1.00 0.00 H new ATOM 0 H3 GLY A 1 18.438 -10.782 11.430 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.293 -13.570 10.962 1.00 0.00 H new ATOM 0 HA3 GLY A 1 17.637 -13.021 11.127 1.00 0.00 H new ATOM 8 N SER A 2 19.731 -12.583 8.654 1.00 0.00 N ATOM 9 CA SER A 2 19.842 -12.304 7.232 1.00 0.00 C ATOM 10 C SER A 2 19.578 -10.820 6.967 1.00 0.00 C ATOM 11 O SER A 2 19.099 -10.105 7.846 1.00 0.00 O ATOM 12 CB SER A 2 18.872 -13.168 6.424 1.00 0.00 C ATOM 13 OG SER A 2 19.046 -12.996 5.021 1.00 0.00 O ATOM 0 H SER A 2 20.585 -12.935 9.088 1.00 0.00 H new ATOM 0 HA SER A 2 20.856 -12.548 6.914 1.00 0.00 H new ATOM 0 HB2 SER A 2 19.020 -14.217 6.682 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.847 -12.914 6.696 1.00 0.00 H new ATOM 0 HG SER A 2 18.410 -13.566 4.540 1.00 0.00 H new ATOM 18 N SER A 3 19.900 -10.402 5.752 1.00 0.00 N ATOM 19 CA SER A 3 19.703 -9.017 5.361 1.00 0.00 C ATOM 20 C SER A 3 19.168 -8.949 3.929 1.00 0.00 C ATOM 21 O SER A 3 19.312 -9.899 3.163 1.00 0.00 O ATOM 22 CB SER A 3 21.005 -8.221 5.479 1.00 0.00 C ATOM 23 OG SER A 3 22.015 -8.717 4.604 1.00 0.00 O ATOM 0 H SER A 3 20.296 -10.998 5.025 1.00 0.00 H new ATOM 0 HA SER A 3 18.973 -8.571 6.037 1.00 0.00 H new ATOM 0 HB2 SER A 3 20.811 -7.173 5.252 1.00 0.00 H new ATOM 0 HB3 SER A 3 21.364 -8.263 6.507 1.00 0.00 H new ATOM 0 HG SER A 3 22.829 -8.182 4.708 1.00 0.00 H new ATOM 28 N GLY A 4 18.559 -7.815 3.613 1.00 0.00 N ATOM 29 CA GLY A 4 18.001 -7.610 2.287 1.00 0.00 C ATOM 30 C GLY A 4 16.523 -8.002 2.249 1.00 0.00 C ATOM 31 O GLY A 4 16.191 -9.184 2.171 1.00 0.00 O ATOM 0 H GLY A 4 18.440 -7.029 4.252 1.00 0.00 H new ATOM 0 HA2 GLY A 4 18.111 -6.564 2.000 1.00 0.00 H new ATOM 0 HA3 GLY A 4 18.557 -8.201 1.559 1.00 0.00 H new ATOM 35 N SER A 5 15.673 -6.986 2.305 1.00 0.00 N ATOM 36 CA SER A 5 14.238 -7.210 2.277 1.00 0.00 C ATOM 37 C SER A 5 13.501 -5.873 2.185 1.00 0.00 C ATOM 38 O SER A 5 13.528 -5.078 3.124 1.00 0.00 O ATOM 39 CB SER A 5 13.777 -7.985 3.514 1.00 0.00 C ATOM 40 OG SER A 5 12.431 -8.438 3.389 1.00 0.00 O ATOM 0 H SER A 5 15.951 -6.007 2.370 1.00 0.00 H new ATOM 0 HA SER A 5 14.003 -7.809 1.397 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.434 -8.840 3.672 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.865 -7.348 4.394 1.00 0.00 H new ATOM 0 HG SER A 5 12.175 -8.929 4.197 1.00 0.00 H new ATOM 45 N SER A 6 12.861 -5.663 1.044 1.00 0.00 N ATOM 46 CA SER A 6 12.119 -4.435 0.816 1.00 0.00 C ATOM 47 C SER A 6 10.671 -4.760 0.442 1.00 0.00 C ATOM 48 O SER A 6 9.755 -4.528 1.230 1.00 0.00 O ATOM 49 CB SER A 6 12.773 -3.591 -0.280 1.00 0.00 C ATOM 50 OG SER A 6 13.566 -2.537 0.261 1.00 0.00 O ATOM 0 H SER A 6 12.841 -6.323 0.267 1.00 0.00 H new ATOM 0 HA SER A 6 12.128 -3.854 1.738 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.396 -4.229 -0.906 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.000 -3.170 -0.923 1.00 0.00 H new ATOM 0 HG SER A 6 13.968 -2.022 -0.469 1.00 0.00 H new ATOM 55 N GLY A 7 10.509 -5.291 -0.761 1.00 0.00 N ATOM 56 CA GLY A 7 9.189 -5.650 -1.249 1.00 0.00 C ATOM 57 C GLY A 7 9.150 -7.111 -1.701 1.00 0.00 C ATOM 58 O GLY A 7 8.596 -7.424 -2.754 1.00 0.00 O ATOM 0 H GLY A 7 11.271 -5.481 -1.412 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.451 -5.489 -0.463 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.916 -5.001 -2.081 1.00 0.00 H new ATOM 62 N GLY A 8 9.744 -7.966 -0.882 1.00 0.00 N ATOM 63 CA GLY A 8 9.785 -9.387 -1.185 1.00 0.00 C ATOM 64 C GLY A 8 8.474 -9.848 -1.828 1.00 0.00 C ATOM 65 O GLY A 8 8.405 -10.032 -3.042 1.00 0.00 O ATOM 0 H GLY A 8 10.201 -7.703 -0.009 1.00 0.00 H new ATOM 0 HA2 GLY A 8 10.617 -9.595 -1.857 1.00 0.00 H new ATOM 0 HA3 GLY A 8 9.965 -9.953 -0.271 1.00 0.00 H new ATOM 69 N GLU A 9 7.468 -10.022 -0.983 1.00 0.00 N ATOM 70 CA GLU A 9 6.163 -10.458 -1.453 1.00 0.00 C ATOM 71 C GLU A 9 5.057 -9.647 -0.776 1.00 0.00 C ATOM 72 O GLU A 9 5.055 -9.493 0.445 1.00 0.00 O ATOM 73 CB GLU A 9 5.969 -11.957 -1.217 1.00 0.00 C ATOM 74 CG GLU A 9 5.503 -12.230 0.215 1.00 0.00 C ATOM 75 CD GLU A 9 5.952 -13.616 0.682 1.00 0.00 C ATOM 76 OE1 GLU A 9 5.790 -14.564 -0.117 1.00 0.00 O ATOM 77 OE2 GLU A 9 6.445 -13.697 1.828 1.00 0.00 O ATOM 0 H GLU A 9 7.530 -9.869 0.024 1.00 0.00 H new ATOM 0 HA GLU A 9 6.107 -10.283 -2.527 1.00 0.00 H new ATOM 0 HB2 GLU A 9 5.236 -12.348 -1.923 1.00 0.00 H new ATOM 0 HB3 GLU A 9 6.905 -12.483 -1.405 1.00 0.00 H new ATOM 0 HG2 GLU A 9 5.905 -11.469 0.884 1.00 0.00 H new ATOM 0 HG3 GLU A 9 4.417 -12.159 0.268 1.00 0.00 H new ATOM 82 N ILE A 10 4.143 -9.152 -1.597 1.00 0.00 N ATOM 83 CA ILE A 10 3.034 -8.360 -1.093 1.00 0.00 C ATOM 84 C ILE A 10 2.116 -9.253 -0.255 1.00 0.00 C ATOM 85 O ILE A 10 1.346 -10.043 -0.800 1.00 0.00 O ATOM 86 CB ILE A 10 2.318 -7.648 -2.242 1.00 0.00 C ATOM 87 CG1 ILE A 10 3.105 -6.419 -2.701 1.00 0.00 C ATOM 88 CG2 ILE A 10 0.880 -7.296 -1.857 1.00 0.00 C ATOM 89 CD1 ILE A 10 3.016 -5.293 -1.669 1.00 0.00 C ATOM 0 H ILE A 10 4.148 -9.284 -2.608 1.00 0.00 H new ATOM 0 HA ILE A 10 3.397 -7.569 -0.437 1.00 0.00 H new ATOM 0 HB ILE A 10 2.267 -8.332 -3.089 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.149 -6.690 -2.860 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.717 -6.071 -3.658 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.393 -6.791 -2.691 1.00 0.00 H new ATOM 0 HG22 ILE A 10 0.334 -8.208 -1.617 1.00 0.00 H new ATOM 0 HG23 ILE A 10 0.887 -6.638 -0.988 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.584 -4.432 -2.020 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.973 -5.008 -1.531 1.00 0.00 H new ATOM 0 HD13 ILE A 10 3.427 -5.636 -0.720 1.00 0.00 H new ATOM 100 N ILE A 11 2.229 -9.099 1.056 1.00 0.00 N ATOM 101 CA ILE A 11 1.419 -9.881 1.974 1.00 0.00 C ATOM 102 C ILE A 11 0.234 -9.036 2.449 1.00 0.00 C ATOM 103 O ILE A 11 0.185 -7.834 2.198 1.00 0.00 O ATOM 104 CB ILE A 11 2.280 -10.429 3.114 1.00 0.00 C ATOM 105 CG1 ILE A 11 2.729 -9.306 4.051 1.00 0.00 C ATOM 106 CG2 ILE A 11 3.465 -11.230 2.570 1.00 0.00 C ATOM 107 CD1 ILE A 11 1.669 -9.027 5.120 1.00 0.00 C ATOM 0 H ILE A 11 2.870 -8.444 1.504 1.00 0.00 H new ATOM 0 HA ILE A 11 1.006 -10.754 1.469 1.00 0.00 H new ATOM 0 HB ILE A 11 1.671 -11.115 3.703 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.669 -9.581 4.529 1.00 0.00 H new ATOM 0 HG13 ILE A 11 2.917 -8.400 3.475 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.061 -11.608 3.401 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.097 -12.067 1.977 1.00 0.00 H new ATOM 0 HG23 ILE A 11 4.083 -10.586 1.944 1.00 0.00 H new ATOM 0 HD11 ILE A 11 2.013 -8.225 5.773 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.737 -8.729 4.639 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.501 -9.928 5.710 1.00 0.00 H new ATOM 118 N GLU A 12 -0.690 -9.701 3.127 1.00 0.00 N ATOM 119 CA GLU A 12 -1.871 -9.027 3.639 1.00 0.00 C ATOM 120 C GLU A 12 -1.515 -8.195 4.873 1.00 0.00 C ATOM 121 O GLU A 12 -0.989 -8.724 5.851 1.00 0.00 O ATOM 122 CB GLU A 12 -2.982 -10.031 3.956 1.00 0.00 C ATOM 123 CG GLU A 12 -3.387 -10.811 2.704 1.00 0.00 C ATOM 124 CD GLU A 12 -4.337 -11.958 3.059 1.00 0.00 C ATOM 125 OE1 GLU A 12 -5.354 -11.669 3.724 1.00 0.00 O ATOM 126 OE2 GLU A 12 -4.022 -13.100 2.656 1.00 0.00 O ATOM 0 H GLU A 12 -0.645 -10.699 3.334 1.00 0.00 H new ATOM 0 HA GLU A 12 -2.244 -8.354 2.867 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.643 -10.723 4.727 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.848 -9.506 4.358 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -3.870 -10.140 1.993 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.498 -11.208 2.214 1.00 0.00 H new ATOM 131 N GLY A 13 -1.814 -6.908 4.787 1.00 0.00 N ATOM 132 CA GLY A 13 -1.532 -5.998 5.884 1.00 0.00 C ATOM 133 C GLY A 13 -0.600 -4.871 5.436 1.00 0.00 C ATOM 134 O GLY A 13 -0.709 -3.744 5.916 1.00 0.00 O ATOM 0 H GLY A 13 -2.249 -6.473 3.974 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -2.464 -5.576 6.260 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.075 -6.546 6.708 1.00 0.00 H new ATOM 138 N CYS A 14 0.295 -5.215 4.523 1.00 0.00 N ATOM 139 CA CYS A 14 1.245 -4.245 4.005 1.00 0.00 C ATOM 140 C CYS A 14 0.482 -2.969 3.645 1.00 0.00 C ATOM 141 O CYS A 14 -0.621 -3.033 3.103 1.00 0.00 O ATOM 142 CB CYS A 14 2.025 -4.799 2.811 1.00 0.00 C ATOM 143 SG CYS A 14 3.404 -5.850 3.397 1.00 0.00 S ATOM 0 H CYS A 14 0.383 -6.151 4.128 1.00 0.00 H new ATOM 0 HA CYS A 14 1.989 -4.019 4.768 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.361 -5.380 2.170 1.00 0.00 H new ATOM 0 HB3 CYS A 14 2.413 -3.979 2.207 1.00 0.00 H new ATOM 0 HG CYS A 14 4.350 -5.098 3.875 1.00 0.00 H new ATOM 148 N ARG A 15 1.099 -1.839 3.960 1.00 0.00 N ATOM 149 CA ARG A 15 0.491 -0.550 3.677 1.00 0.00 C ATOM 150 C ARG A 15 1.336 0.224 2.663 1.00 0.00 C ATOM 151 O ARG A 15 2.512 0.492 2.907 1.00 0.00 O ATOM 152 CB ARG A 15 0.347 0.283 4.952 1.00 0.00 C ATOM 153 CG ARG A 15 -0.969 -0.032 5.666 1.00 0.00 C ATOM 154 CD ARG A 15 -1.226 0.957 6.805 1.00 0.00 C ATOM 155 NE ARG A 15 -1.009 0.295 8.110 1.00 0.00 N ATOM 156 CZ ARG A 15 0.185 0.192 8.711 1.00 0.00 C ATOM 157 NH1 ARG A 15 1.276 0.707 8.128 1.00 0.00 N ATOM 158 NH2 ARG A 15 0.287 -0.427 9.896 1.00 0.00 N ATOM 0 H ARG A 15 2.014 -1.790 4.408 1.00 0.00 H new ATOM 0 HA ARG A 15 -0.500 -0.735 3.264 1.00 0.00 H new ATOM 0 HB2 ARG A 15 1.185 0.081 5.619 1.00 0.00 H new ATOM 0 HB3 ARG A 15 0.386 1.344 4.704 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -1.792 0.008 4.953 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -0.938 -1.047 6.061 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -0.561 1.816 6.709 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -2.246 1.336 6.745 1.00 0.00 H new ATOM 0 HE ARG A 15 -1.818 -0.108 8.582 1.00 0.00 H new ATOM 0 HH11 ARG A 15 1.198 1.178 7.226 1.00 0.00 H new ATOM 0 HH12 ARG A 15 2.184 0.628 8.586 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -0.544 -0.819 10.340 1.00 0.00 H new ATOM 0 HH22 ARG A 15 1.195 -0.506 10.354 1.00 0.00 H new ATOM 169 N LEU A 16 0.705 0.560 1.548 1.00 0.00 N ATOM 170 CA LEU A 16 1.384 1.298 0.497 1.00 0.00 C ATOM 171 C LEU A 16 0.382 2.213 -0.207 1.00 0.00 C ATOM 172 O LEU A 16 -0.819 1.948 -0.197 1.00 0.00 O ATOM 173 CB LEU A 16 2.110 0.338 -0.448 1.00 0.00 C ATOM 174 CG LEU A 16 1.597 -1.103 -0.465 1.00 0.00 C ATOM 175 CD1 LEU A 16 0.068 -1.141 -0.426 1.00 0.00 C ATOM 176 CD2 LEU A 16 2.160 -1.871 -1.662 1.00 0.00 C ATOM 0 H LEU A 16 -0.270 0.335 1.349 1.00 0.00 H new ATOM 0 HA LEU A 16 2.158 1.939 0.920 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.045 0.738 -1.460 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.166 0.323 -0.178 1.00 0.00 H new ATOM 0 HG LEU A 16 1.954 -1.604 0.435 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.271 -2.177 -0.439 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.285 -0.655 0.484 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.331 -0.618 -1.295 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.780 -2.892 -1.650 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.854 -1.380 -2.586 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.248 -1.888 -1.604 1.00 0.00 H new ATOM 187 N PRO A 17 0.925 3.300 -0.818 1.00 0.00 N ATOM 188 CA PRO A 17 0.092 4.256 -1.526 1.00 0.00 C ATOM 189 C PRO A 17 -0.372 3.690 -2.870 1.00 0.00 C ATOM 190 O PRO A 17 0.421 3.568 -3.803 1.00 0.00 O ATOM 191 CB PRO A 17 0.955 5.499 -1.671 1.00 0.00 C ATOM 192 CG PRO A 17 2.387 5.040 -1.456 1.00 0.00 C ATOM 193 CD PRO A 17 2.343 3.646 -0.850 1.00 0.00 C ATOM 0 HA PRO A 17 -0.829 4.487 -0.992 1.00 0.00 H new ATOM 0 HB2 PRO A 17 0.832 5.947 -2.657 1.00 0.00 H new ATOM 0 HB3 PRO A 17 0.674 6.257 -0.940 1.00 0.00 H new ATOM 0 HG2 PRO A 17 2.930 5.029 -2.401 1.00 0.00 H new ATOM 0 HG3 PRO A 17 2.913 5.728 -0.794 1.00 0.00 H new ATOM 0 HD2 PRO A 17 2.911 2.935 -1.451 1.00 0.00 H new ATOM 0 HD3 PRO A 17 2.776 3.635 0.150 1.00 0.00 H new ATOM 198 N VAL A 18 -1.653 3.359 -2.926 1.00 0.00 N ATOM 199 CA VAL A 18 -2.232 2.809 -4.140 1.00 0.00 C ATOM 200 C VAL A 18 -2.805 3.946 -4.988 1.00 0.00 C ATOM 201 O VAL A 18 -3.728 4.638 -4.561 1.00 0.00 O ATOM 202 CB VAL A 18 -3.272 1.743 -3.788 1.00 0.00 C ATOM 203 CG1 VAL A 18 -4.056 1.312 -5.028 1.00 0.00 C ATOM 204 CG2 VAL A 18 -2.615 0.539 -3.108 1.00 0.00 C ATOM 0 H VAL A 18 -2.307 3.461 -2.150 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.467 2.313 -4.737 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.977 2.183 -3.082 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.788 0.554 -4.750 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.570 2.175 -5.452 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.369 0.899 -5.767 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.376 -0.204 -2.868 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.878 0.099 -3.780 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.123 0.863 -2.191 1.00 0.00 H new ATOM 214 N LEU A 19 -2.234 4.103 -6.173 1.00 0.00 N ATOM 215 CA LEU A 19 -2.677 5.145 -7.084 1.00 0.00 C ATOM 216 C LEU A 19 -4.206 5.192 -7.095 1.00 0.00 C ATOM 217 O LEU A 19 -4.861 4.161 -7.245 1.00 0.00 O ATOM 218 CB LEU A 19 -2.059 4.943 -8.470 1.00 0.00 C ATOM 219 CG LEU A 19 -2.406 6.001 -9.519 1.00 0.00 C ATOM 220 CD1 LEU A 19 -1.552 7.257 -9.335 1.00 0.00 C ATOM 221 CD2 LEU A 19 -2.287 5.429 -10.934 1.00 0.00 C ATOM 0 H LEU A 19 -1.469 3.527 -6.523 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.330 6.121 -6.743 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.975 4.909 -8.361 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.372 3.969 -8.847 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.446 6.295 -9.376 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.819 7.993 -10.094 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.730 7.676 -8.345 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.498 6.998 -9.436 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.539 6.201 -11.661 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.265 5.090 -11.104 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.972 4.588 -11.045 1.00 0.00 H new ATOM 232 N ARG A 20 -4.731 6.397 -6.933 1.00 0.00 N ATOM 233 CA ARG A 20 -6.171 6.592 -6.920 1.00 0.00 C ATOM 234 C ARG A 20 -6.529 7.939 -7.553 1.00 0.00 C ATOM 235 O ARG A 20 -6.487 8.971 -6.885 1.00 0.00 O ATOM 236 CB ARG A 20 -6.722 6.541 -5.495 1.00 0.00 C ATOM 237 CG ARG A 20 -8.242 6.719 -5.487 1.00 0.00 C ATOM 238 CD ARG A 20 -8.745 7.085 -4.090 1.00 0.00 C ATOM 239 NE ARG A 20 -10.221 6.998 -4.044 1.00 0.00 N ATOM 240 CZ ARG A 20 -11.045 7.959 -4.483 1.00 0.00 C ATOM 241 NH1 ARG A 20 -10.541 9.087 -5.003 1.00 0.00 N ATOM 242 NH2 ARG A 20 -12.372 7.794 -4.402 1.00 0.00 N ATOM 0 H ARG A 20 -4.185 7.249 -6.809 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.621 5.784 -7.498 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.462 5.588 -5.035 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.258 7.323 -4.894 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -8.524 7.499 -6.194 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -8.721 5.798 -5.820 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.310 6.413 -3.350 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.424 8.094 -3.832 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.638 6.153 -3.653 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.531 9.213 -5.064 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.168 9.819 -5.337 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -12.756 6.936 -4.006 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -12.998 8.526 -4.736 1.00 0.00 H new ATOM 253 N ARG A 21 -6.875 7.884 -8.830 1.00 0.00 N ATOM 254 CA ARG A 21 -7.241 9.086 -9.559 1.00 0.00 C ATOM 255 C ARG A 21 -8.441 9.764 -8.894 1.00 0.00 C ATOM 256 O ARG A 21 -9.133 9.154 -8.082 1.00 0.00 O ATOM 257 CB ARG A 21 -7.587 8.765 -11.014 1.00 0.00 C ATOM 258 CG ARG A 21 -6.320 8.524 -11.838 1.00 0.00 C ATOM 259 CD ARG A 21 -6.581 8.762 -13.327 1.00 0.00 C ATOM 260 NE ARG A 21 -6.806 7.472 -14.015 1.00 0.00 N ATOM 261 CZ ARG A 21 -5.826 6.628 -14.366 1.00 0.00 C ATOM 262 NH1 ARG A 21 -4.549 6.933 -14.096 1.00 0.00 N ATOM 263 NH2 ARG A 21 -6.123 5.477 -14.987 1.00 0.00 N ATOM 0 H ARG A 21 -6.910 7.025 -9.379 1.00 0.00 H new ATOM 0 HA ARG A 21 -6.383 9.758 -9.542 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -8.225 7.882 -11.054 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -8.156 9.588 -11.447 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -5.526 9.187 -11.494 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -5.971 7.503 -11.685 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -7.450 9.407 -13.453 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -5.732 9.279 -13.775 1.00 0.00 H new ATOM 0 HE ARG A 21 -7.766 7.209 -14.236 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -4.323 7.808 -13.623 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -3.804 6.290 -14.363 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -7.095 5.244 -15.192 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -5.377 4.835 -15.254 1.00 0.00 H new ATOM 274 N ASN A 22 -8.650 11.019 -9.265 1.00 0.00 N ATOM 275 CA ASN A 22 -9.755 11.788 -8.716 1.00 0.00 C ATOM 276 C ASN A 22 -10.667 12.247 -9.854 1.00 0.00 C ATOM 277 O ASN A 22 -10.407 11.954 -11.020 1.00 0.00 O ATOM 278 CB ASN A 22 -9.249 13.031 -7.982 1.00 0.00 C ATOM 279 CG ASN A 22 -9.287 12.828 -6.467 1.00 0.00 C ATOM 280 OD1 ASN A 22 -10.336 12.700 -5.858 1.00 0.00 O ATOM 281 ND2 ASN A 22 -8.087 12.805 -5.894 1.00 0.00 N ATOM 0 H ASN A 22 -8.073 11.523 -9.939 1.00 0.00 H new ATOM 0 HA ASN A 22 -10.294 11.151 -8.015 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -8.229 13.253 -8.297 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -9.861 13.891 -8.252 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -8.006 12.674 -4.886 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -7.248 12.918 -6.463 1.00 0.00 H new ATOM 287 N GLN A 23 -11.718 12.960 -9.476 1.00 0.00 N ATOM 288 CA GLN A 23 -12.671 13.464 -10.452 1.00 0.00 C ATOM 289 C GLN A 23 -11.980 14.427 -11.420 1.00 0.00 C ATOM 290 O GLN A 23 -12.511 14.726 -12.487 1.00 0.00 O ATOM 291 CB GLN A 23 -13.858 14.137 -9.761 1.00 0.00 C ATOM 292 CG GLN A 23 -14.736 13.106 -9.048 1.00 0.00 C ATOM 293 CD GLN A 23 -15.667 13.782 -8.041 1.00 0.00 C ATOM 294 OE1 GLN A 23 -15.268 14.628 -7.258 1.00 0.00 O ATOM 295 NE2 GLN A 23 -16.927 13.363 -8.104 1.00 0.00 N ATOM 0 H GLN A 23 -11.931 13.201 -8.508 1.00 0.00 H new ATOM 0 HA GLN A 23 -13.057 12.621 -11.024 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -13.496 14.871 -9.041 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -14.452 14.679 -10.497 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -15.326 12.556 -9.781 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -14.106 12.379 -8.535 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -17.194 12.651 -8.784 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -17.626 13.753 -7.473 1.00 0.00 H new ATOM 302 N ASP A 24 -10.807 14.887 -11.010 1.00 0.00 N ATOM 303 CA ASP A 24 -10.038 15.810 -11.828 1.00 0.00 C ATOM 304 C ASP A 24 -8.950 15.038 -12.575 1.00 0.00 C ATOM 305 O ASP A 24 -8.272 15.592 -13.439 1.00 0.00 O ATOM 306 CB ASP A 24 -9.356 16.873 -10.965 1.00 0.00 C ATOM 307 CG ASP A 24 -9.991 18.263 -11.029 1.00 0.00 C ATOM 308 OD1 ASP A 24 -11.015 18.388 -11.736 1.00 0.00 O ATOM 309 OD2 ASP A 24 -9.438 19.171 -10.372 1.00 0.00 O ATOM 0 H ASP A 24 -10.370 14.638 -10.122 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.723 16.295 -12.524 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.360 16.536 -9.929 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -8.313 16.952 -11.270 1.00 0.00 H new ATOM 313 N ASN A 25 -8.815 13.770 -12.215 1.00 0.00 N ATOM 314 CA ASN A 25 -7.820 12.916 -12.841 1.00 0.00 C ATOM 315 C ASN A 25 -6.455 13.177 -12.201 1.00 0.00 C ATOM 316 O ASN A 25 -5.422 13.035 -12.854 1.00 0.00 O ATOM 317 CB ASN A 25 -7.705 13.210 -14.338 1.00 0.00 C ATOM 318 CG ASN A 25 -7.366 11.941 -15.123 1.00 0.00 C ATOM 319 OD1 ASN A 25 -6.227 11.507 -15.189 1.00 0.00 O ATOM 320 ND2 ASN A 25 -8.414 11.373 -15.711 1.00 0.00 N ATOM 0 H ASN A 25 -9.378 13.313 -11.498 1.00 0.00 H new ATOM 0 HA ASN A 25 -8.128 11.880 -12.700 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -8.643 13.628 -14.703 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -6.934 13.962 -14.506 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -8.292 10.521 -16.258 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -9.340 11.789 -15.615 1.00 0.00 H new ATOM 326 N GLU A 26 -6.494 13.553 -10.931 1.00 0.00 N ATOM 327 CA GLU A 26 -5.273 13.835 -10.196 1.00 0.00 C ATOM 328 C GLU A 26 -4.700 12.546 -9.605 1.00 0.00 C ATOM 329 O GLU A 26 -5.175 12.067 -8.576 1.00 0.00 O ATOM 330 CB GLU A 26 -5.520 14.878 -9.104 1.00 0.00 C ATOM 331 CG GLU A 26 -5.729 16.268 -9.710 1.00 0.00 C ATOM 332 CD GLU A 26 -5.150 17.354 -8.801 1.00 0.00 C ATOM 333 OE1 GLU A 26 -5.796 17.634 -7.769 1.00 0.00 O ATOM 334 OE2 GLU A 26 -4.074 17.881 -9.160 1.00 0.00 O ATOM 0 H GLU A 26 -7.352 13.669 -10.392 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.541 14.250 -10.889 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.396 14.597 -8.519 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.673 14.900 -8.419 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.254 16.317 -10.690 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.793 16.446 -9.863 1.00 0.00 H new ATOM 339 N ASP A 27 -3.688 12.021 -10.280 1.00 0.00 N ATOM 340 CA ASP A 27 -3.046 10.797 -9.833 1.00 0.00 C ATOM 341 C ASP A 27 -2.640 10.945 -8.366 1.00 0.00 C ATOM 342 O ASP A 27 -1.548 11.427 -8.066 1.00 0.00 O ATOM 343 CB ASP A 27 -1.782 10.510 -10.647 1.00 0.00 C ATOM 344 CG ASP A 27 -2.025 9.855 -12.009 1.00 0.00 C ATOM 345 OD1 ASP A 27 -2.143 8.611 -12.027 1.00 0.00 O ATOM 346 OD2 ASP A 27 -2.086 10.614 -13.000 1.00 0.00 O ATOM 0 H ASP A 27 -3.297 12.421 -11.133 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.753 9.978 -9.963 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.247 11.447 -10.801 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -1.129 9.863 -10.061 1.00 0.00 H new ATOM 350 N GLU A 28 -3.540 10.523 -7.490 1.00 0.00 N ATOM 351 CA GLU A 28 -3.288 10.602 -6.062 1.00 0.00 C ATOM 352 C GLU A 28 -2.528 9.362 -5.586 1.00 0.00 C ATOM 353 O GLU A 28 -2.389 8.392 -6.330 1.00 0.00 O ATOM 354 CB GLU A 28 -4.594 10.774 -5.284 1.00 0.00 C ATOM 355 CG GLU A 28 -4.320 11.149 -3.826 1.00 0.00 C ATOM 356 CD GLU A 28 -5.478 11.960 -3.241 1.00 0.00 C ATOM 357 OE1 GLU A 28 -6.635 11.559 -3.491 1.00 0.00 O ATOM 358 OE2 GLU A 28 -5.181 12.961 -2.555 1.00 0.00 O ATOM 0 H GLU A 28 -4.445 10.125 -7.742 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.669 11.479 -5.871 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.202 11.547 -5.754 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.169 9.849 -5.323 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.170 10.245 -3.236 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.398 11.727 -3.763 1.00 0.00 H new ATOM 363 N TRP A 29 -2.054 9.435 -4.351 1.00 0.00 N ATOM 364 CA TRP A 29 -1.311 8.330 -3.768 1.00 0.00 C ATOM 365 C TRP A 29 -1.728 8.202 -2.301 1.00 0.00 C ATOM 366 O TRP A 29 -0.920 8.428 -1.401 1.00 0.00 O ATOM 367 CB TRP A 29 0.195 8.529 -3.946 1.00 0.00 C ATOM 368 CG TRP A 29 0.672 8.410 -5.395 1.00 0.00 C ATOM 369 CD1 TRP A 29 0.831 9.390 -6.295 1.00 0.00 C ATOM 370 CD2 TRP A 29 1.047 7.196 -6.080 1.00 0.00 C ATOM 371 NE1 TRP A 29 1.279 8.900 -7.504 1.00 0.00 N ATOM 372 CE2 TRP A 29 1.415 7.523 -7.369 1.00 0.00 C ATOM 373 CE3 TRP A 29 1.075 5.866 -5.625 1.00 0.00 C ATOM 374 CZ2 TRP A 29 1.837 6.575 -8.310 1.00 0.00 C ATOM 375 CZ3 TRP A 29 1.499 4.931 -6.576 1.00 0.00 C ATOM 376 CH2 TRP A 29 1.873 5.244 -7.878 1.00 0.00 C ATOM 0 H TRP A 29 -2.170 10.242 -3.738 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.544 7.396 -4.279 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.469 9.512 -3.564 1.00 0.00 H new ATOM 0 HB3 TRP A 29 0.722 7.793 -3.339 1.00 0.00 H new ATOM 0 HD1 TRP A 29 0.633 10.433 -6.098 1.00 0.00 H new ATOM 0 HE1 TRP A 29 1.474 9.447 -8.342 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.792 5.588 -4.621 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 2.119 6.856 -9.314 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.538 3.894 -6.278 1.00 0.00 H new ATOM 0 HH2 TRP A 29 2.190 4.463 -8.553 1.00 0.00 H new ATOM 386 N PRO A 30 -3.021 7.830 -2.102 1.00 0.00 N ATOM 387 CA PRO A 30 -3.554 7.669 -0.760 1.00 0.00 C ATOM 388 C PRO A 30 -3.047 6.375 -0.120 1.00 0.00 C ATOM 389 O PRO A 30 -2.698 5.427 -0.822 1.00 0.00 O ATOM 390 CB PRO A 30 -5.065 7.695 -0.932 1.00 0.00 C ATOM 391 CG PRO A 30 -5.322 7.403 -2.401 1.00 0.00 C ATOM 392 CD PRO A 30 -4.006 7.555 -3.144 1.00 0.00 C ATOM 0 HA PRO A 30 -3.230 8.457 -0.081 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -5.543 6.950 -0.296 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -5.474 8.665 -0.649 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -5.717 6.395 -2.526 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -6.068 8.089 -2.802 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -3.756 6.649 -3.696 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -4.052 8.367 -3.869 1.00 0.00 H new ATOM 397 N LEU A 31 -3.023 6.378 1.205 1.00 0.00 N ATOM 398 CA LEU A 31 -2.565 5.216 1.947 1.00 0.00 C ATOM 399 C LEU A 31 -3.558 4.068 1.754 1.00 0.00 C ATOM 400 O LEU A 31 -4.758 4.239 1.964 1.00 0.00 O ATOM 401 CB LEU A 31 -2.321 5.578 3.413 1.00 0.00 C ATOM 402 CG LEU A 31 -1.247 4.764 4.136 1.00 0.00 C ATOM 403 CD1 LEU A 31 -1.710 3.323 4.361 1.00 0.00 C ATOM 404 CD2 LEU A 31 0.086 4.828 3.387 1.00 0.00 C ATOM 0 H LEU A 31 -3.313 7.166 1.783 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.604 4.874 1.563 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.047 6.632 3.465 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.260 5.466 3.955 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.086 5.207 5.119 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.928 2.766 4.877 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.616 3.322 4.967 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.916 2.853 3.400 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.833 4.241 3.922 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.041 4.424 2.383 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.418 5.864 3.322 1.00 0.00 H new ATOM 415 N ALA A 32 -3.021 2.924 1.356 1.00 0.00 N ATOM 416 CA ALA A 32 -3.846 1.748 1.133 1.00 0.00 C ATOM 417 C ALA A 32 -3.206 0.544 1.826 1.00 0.00 C ATOM 418 O ALA A 32 -1.984 0.412 1.849 1.00 0.00 O ATOM 419 CB ALA A 32 -4.025 1.528 -0.371 1.00 0.00 C ATOM 0 H ALA A 32 -2.025 2.786 1.182 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.838 1.887 1.562 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.644 0.646 -0.539 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.509 2.400 -0.811 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.050 1.381 -0.836 1.00 0.00 H new ATOM 425 N GLU A 33 -4.063 -0.306 2.374 1.00 0.00 N ATOM 426 CA GLU A 33 -3.598 -1.496 3.066 1.00 0.00 C ATOM 427 C GLU A 33 -4.010 -2.753 2.298 1.00 0.00 C ATOM 428 O GLU A 33 -5.116 -2.822 1.763 1.00 0.00 O ATOM 429 CB GLU A 33 -4.121 -1.535 4.503 1.00 0.00 C ATOM 430 CG GLU A 33 -3.405 -2.613 5.319 1.00 0.00 C ATOM 431 CD GLU A 33 -4.111 -2.848 6.656 1.00 0.00 C ATOM 432 OE1 GLU A 33 -5.287 -3.270 6.611 1.00 0.00 O ATOM 433 OE2 GLU A 33 -3.458 -2.601 7.693 1.00 0.00 O ATOM 0 H GLU A 33 -5.077 -0.194 2.353 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.509 -1.463 3.112 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.976 -0.562 4.973 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.193 -1.730 4.498 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.374 -3.543 4.752 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.372 -2.314 5.497 1.00 0.00 H new ATOM 438 N ILE A 34 -3.101 -3.715 2.268 1.00 0.00 N ATOM 439 CA ILE A 34 -3.357 -4.966 1.573 1.00 0.00 C ATOM 440 C ILE A 34 -4.357 -5.797 2.381 1.00 0.00 C ATOM 441 O ILE A 34 -4.327 -5.788 3.610 1.00 0.00 O ATOM 442 CB ILE A 34 -2.044 -5.697 1.283 1.00 0.00 C ATOM 443 CG1 ILE A 34 -1.064 -4.787 0.538 1.00 0.00 C ATOM 444 CG2 ILE A 34 -2.299 -7.003 0.530 1.00 0.00 C ATOM 445 CD1 ILE A 34 -1.277 -4.874 -0.974 1.00 0.00 C ATOM 0 H ILE A 34 -2.186 -3.654 2.714 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.811 -4.775 0.600 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.581 -5.959 2.234 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.196 -3.757 0.869 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.040 -5.072 0.782 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.350 -7.503 0.336 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.935 -7.652 1.132 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.795 -6.787 -0.416 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.568 -4.218 -1.480 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.121 -5.901 -1.305 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.294 -4.565 -1.217 1.00 0.00 H new ATOM 456 N LEU A 35 -5.220 -6.494 1.656 1.00 0.00 N ATOM 457 CA LEU A 35 -6.227 -7.328 2.288 1.00 0.00 C ATOM 458 C LEU A 35 -6.104 -8.759 1.760 1.00 0.00 C ATOM 459 O LEU A 35 -6.064 -9.710 2.537 1.00 0.00 O ATOM 460 CB LEU A 35 -7.619 -6.721 2.102 1.00 0.00 C ATOM 461 CG LEU A 35 -7.753 -5.235 2.440 1.00 0.00 C ATOM 462 CD1 LEU A 35 -9.172 -4.735 2.160 1.00 0.00 C ATOM 463 CD2 LEU A 35 -7.323 -4.959 3.882 1.00 0.00 C ATOM 0 H LEU A 35 -5.242 -6.498 0.636 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.065 -7.371 3.365 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.921 -6.866 1.065 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -8.322 -7.279 2.720 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.080 -4.675 1.791 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -9.240 -3.676 2.409 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -9.406 -4.876 1.105 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -9.882 -5.297 2.767 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -7.428 -3.895 4.096 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -7.952 -5.530 4.565 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.282 -5.254 4.014 1.00 0.00 H new ATOM 474 N SER A 36 -6.047 -8.865 0.441 1.00 0.00 N ATOM 475 CA SER A 36 -5.929 -10.163 -0.201 1.00 0.00 C ATOM 476 C SER A 36 -5.269 -10.012 -1.574 1.00 0.00 C ATOM 477 O SER A 36 -5.498 -9.024 -2.270 1.00 0.00 O ATOM 478 CB SER A 36 -7.298 -10.835 -0.342 1.00 0.00 C ATOM 479 OG SER A 36 -7.238 -12.231 -0.072 1.00 0.00 O ATOM 0 H SER A 36 -6.080 -8.073 -0.201 1.00 0.00 H new ATOM 0 HA SER A 36 -5.304 -10.798 0.427 1.00 0.00 H new ATOM 0 HB2 SER A 36 -8.005 -10.364 0.341 1.00 0.00 H new ATOM 0 HB3 SER A 36 -7.677 -10.677 -1.352 1.00 0.00 H new ATOM 0 HG SER A 36 -8.131 -12.622 -0.171 1.00 0.00 H new ATOM 484 N VAL A 37 -4.463 -11.005 -1.919 1.00 0.00 N ATOM 485 CA VAL A 37 -3.768 -10.993 -3.195 1.00 0.00 C ATOM 486 C VAL A 37 -4.414 -12.015 -4.132 1.00 0.00 C ATOM 487 O VAL A 37 -5.220 -12.836 -3.699 1.00 0.00 O ATOM 488 CB VAL A 37 -2.273 -11.242 -2.979 1.00 0.00 C ATOM 489 CG1 VAL A 37 -1.526 -11.292 -4.314 1.00 0.00 C ATOM 490 CG2 VAL A 37 -1.670 -10.184 -2.053 1.00 0.00 C ATOM 0 H VAL A 37 -4.276 -11.822 -1.338 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.856 -10.015 -3.669 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.161 -12.213 -2.497 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.466 -11.470 -4.131 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.929 -12.098 -4.927 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.650 -10.343 -4.836 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.607 -10.384 -1.916 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.800 -9.196 -2.496 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.173 -10.217 -1.087 1.00 0.00 H new ATOM 500 N LYS A 38 -4.036 -11.931 -5.399 1.00 0.00 N ATOM 501 CA LYS A 38 -4.570 -12.838 -6.401 1.00 0.00 C ATOM 502 C LYS A 38 -3.604 -12.905 -7.587 1.00 0.00 C ATOM 503 O LYS A 38 -2.547 -12.275 -7.568 1.00 0.00 O ATOM 504 CB LYS A 38 -5.992 -12.430 -6.790 1.00 0.00 C ATOM 505 CG LYS A 38 -6.808 -13.647 -7.232 1.00 0.00 C ATOM 506 CD LYS A 38 -7.245 -13.513 -8.692 1.00 0.00 C ATOM 507 CE LYS A 38 -8.738 -13.809 -8.848 1.00 0.00 C ATOM 508 NZ LYS A 38 -9.043 -15.187 -8.401 1.00 0.00 N ATOM 0 H LYS A 38 -3.366 -11.249 -5.755 1.00 0.00 H new ATOM 0 HA LYS A 38 -4.652 -13.847 -5.997 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.481 -11.948 -5.943 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.957 -11.698 -7.597 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -6.214 -14.552 -7.108 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -7.686 -13.752 -6.594 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.032 -12.505 -9.048 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.668 -14.199 -9.312 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.319 -13.094 -8.265 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.032 -13.685 -9.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.957 -15.486 -8.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.295 -15.832 -8.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.092 -15.212 -7.362 1.00 0.00 H new ATOM 518 N ASP A 39 -4.000 -13.678 -8.588 1.00 0.00 N ATOM 519 CA ASP A 39 -3.183 -13.836 -9.780 1.00 0.00 C ATOM 520 C ASP A 39 -4.052 -14.364 -10.922 1.00 0.00 C ATOM 521 O ASP A 39 -4.695 -15.404 -10.789 1.00 0.00 O ATOM 522 CB ASP A 39 -2.053 -14.840 -9.542 1.00 0.00 C ATOM 523 CG ASP A 39 -1.503 -15.504 -10.806 1.00 0.00 C ATOM 524 OD1 ASP A 39 -0.727 -14.824 -11.512 1.00 0.00 O ATOM 525 OD2 ASP A 39 -1.869 -16.675 -11.037 1.00 0.00 O ATOM 0 H ASP A 39 -4.875 -14.202 -8.598 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.756 -12.864 -10.029 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.236 -14.330 -9.032 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.414 -15.617 -8.868 1.00 0.00 H new ATOM 529 N ILE A 40 -4.045 -13.622 -12.020 1.00 0.00 N ATOM 530 CA ILE A 40 -4.825 -14.002 -13.186 1.00 0.00 C ATOM 531 C ILE A 40 -3.927 -13.983 -14.424 1.00 0.00 C ATOM 532 O ILE A 40 -4.034 -13.088 -15.260 1.00 0.00 O ATOM 533 CB ILE A 40 -6.066 -13.116 -13.313 1.00 0.00 C ATOM 534 CG1 ILE A 40 -6.935 -13.207 -12.056 1.00 0.00 C ATOM 535 CG2 ILE A 40 -6.852 -13.453 -14.580 1.00 0.00 C ATOM 536 CD1 ILE A 40 -7.679 -11.893 -11.808 1.00 0.00 C ATOM 0 H ILE A 40 -3.511 -12.759 -12.127 1.00 0.00 H new ATOM 0 HA ILE A 40 -5.198 -15.020 -13.078 1.00 0.00 H new ATOM 0 HB ILE A 40 -5.739 -12.080 -13.404 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -7.652 -14.021 -12.163 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.311 -13.444 -11.194 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -7.729 -12.809 -14.646 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.219 -13.295 -15.453 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -7.169 -14.495 -14.545 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -8.289 -11.984 -10.909 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -6.958 -11.086 -11.677 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -8.320 -11.672 -12.661 1.00 0.00 H new ATOM 547 N SER A 41 -3.059 -14.983 -14.502 1.00 0.00 N ATOM 548 CA SER A 41 -2.142 -15.092 -15.623 1.00 0.00 C ATOM 549 C SER A 41 -1.056 -14.020 -15.518 1.00 0.00 C ATOM 550 O SER A 41 -0.800 -13.293 -16.478 1.00 0.00 O ATOM 551 CB SER A 41 -2.884 -14.967 -16.955 1.00 0.00 C ATOM 552 OG SER A 41 -2.495 -15.978 -17.880 1.00 0.00 O ATOM 0 H SER A 41 -2.972 -15.724 -13.807 1.00 0.00 H new ATOM 0 HA SER A 41 -1.675 -16.077 -15.588 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.958 -15.031 -16.779 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.689 -13.986 -17.388 1.00 0.00 H new ATOM 0 HG SER A 41 -2.992 -15.865 -18.717 1.00 0.00 H new ATOM 557 N GLY A 42 -0.447 -13.953 -14.344 1.00 0.00 N ATOM 558 CA GLY A 42 0.606 -12.981 -14.100 1.00 0.00 C ATOM 559 C GLY A 42 0.034 -11.689 -13.514 1.00 0.00 C ATOM 560 O GLY A 42 0.730 -10.963 -12.805 1.00 0.00 O ATOM 0 H GLY A 42 -0.662 -14.556 -13.550 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.342 -13.401 -13.414 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.127 -12.762 -15.032 1.00 0.00 H new ATOM 564 N ARG A 43 -1.228 -11.440 -13.832 1.00 0.00 N ATOM 565 CA ARG A 43 -1.901 -10.248 -13.345 1.00 0.00 C ATOM 566 C ARG A 43 -2.278 -10.415 -11.872 1.00 0.00 C ATOM 567 O ARG A 43 -3.415 -10.764 -11.554 1.00 0.00 O ATOM 568 CB ARG A 43 -3.165 -9.958 -14.159 1.00 0.00 C ATOM 569 CG ARG A 43 -3.429 -8.454 -14.242 1.00 0.00 C ATOM 570 CD ARG A 43 -4.349 -7.995 -13.108 1.00 0.00 C ATOM 571 NE ARG A 43 -5.262 -6.936 -13.593 1.00 0.00 N ATOM 572 CZ ARG A 43 -6.370 -7.170 -14.309 1.00 0.00 C ATOM 573 NH1 ARG A 43 -6.709 -8.426 -14.629 1.00 0.00 N ATOM 574 NH2 ARG A 43 -7.139 -6.147 -14.707 1.00 0.00 N ATOM 0 H ARG A 43 -1.802 -12.043 -14.421 1.00 0.00 H new ATOM 0 HA ARG A 43 -1.212 -9.410 -13.454 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -3.057 -10.368 -15.163 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -4.019 -10.456 -13.701 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.485 -7.912 -14.191 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -3.883 -8.213 -15.203 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -4.926 -8.840 -12.732 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -3.754 -7.620 -12.275 1.00 0.00 H new ATOM 0 HE ARG A 43 -5.033 -5.968 -13.368 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -6.123 -9.205 -14.327 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -7.553 -8.603 -15.174 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -6.881 -5.190 -14.465 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -7.983 -6.325 -15.252 1.00 0.00 H new ATOM 585 N LYS A 44 -1.305 -10.158 -11.012 1.00 0.00 N ATOM 586 CA LYS A 44 -1.520 -10.275 -9.580 1.00 0.00 C ATOM 587 C LYS A 44 -2.434 -9.141 -9.112 1.00 0.00 C ATOM 588 O LYS A 44 -2.131 -7.968 -9.322 1.00 0.00 O ATOM 589 CB LYS A 44 -0.182 -10.333 -8.839 1.00 0.00 C ATOM 590 CG LYS A 44 0.177 -11.773 -8.468 1.00 0.00 C ATOM 591 CD LYS A 44 0.586 -11.874 -6.997 1.00 0.00 C ATOM 592 CE LYS A 44 1.980 -11.284 -6.773 1.00 0.00 C ATOM 593 NZ LYS A 44 2.284 -11.206 -5.327 1.00 0.00 N ATOM 0 H LYS A 44 -0.364 -9.869 -11.279 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.027 -11.211 -9.346 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.603 -9.908 -9.465 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.235 -9.724 -7.937 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -0.676 -12.425 -8.658 1.00 0.00 H new ATOM 0 HG3 LYS A 44 0.993 -12.123 -9.101 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.140 -11.347 -6.377 1.00 0.00 H new ATOM 0 HD3 LYS A 44 0.574 -12.918 -6.684 1.00 0.00 H new ATOM 0 HE2 LYS A 44 2.727 -11.899 -7.275 1.00 0.00 H new ATOM 0 HE3 LYS A 44 2.036 -10.290 -7.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 3.313 -11.254 -5.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 1.923 -10.309 -4.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 1.829 -12.000 -4.833 1.00 0.00 H new ATOM 603 N LEU A 45 -3.534 -9.531 -8.485 1.00 0.00 N ATOM 604 CA LEU A 45 -4.494 -8.561 -7.985 1.00 0.00 C ATOM 605 C LEU A 45 -4.361 -8.455 -6.464 1.00 0.00 C ATOM 606 O LEU A 45 -3.972 -9.418 -5.803 1.00 0.00 O ATOM 607 CB LEU A 45 -5.907 -8.915 -8.454 1.00 0.00 C ATOM 608 CG LEU A 45 -6.484 -8.033 -9.564 1.00 0.00 C ATOM 609 CD1 LEU A 45 -5.368 -7.403 -10.401 1.00 0.00 C ATOM 610 CD2 LEU A 45 -7.476 -8.816 -10.427 1.00 0.00 C ATOM 0 H LEU A 45 -3.782 -10.505 -8.312 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.284 -7.573 -8.394 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.905 -9.948 -8.801 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.576 -8.869 -7.595 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.037 -7.217 -9.099 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.806 -6.782 -11.182 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.735 -6.789 -9.760 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.767 -8.190 -10.857 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.871 -8.166 -11.208 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.969 -9.666 -10.884 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.296 -9.175 -9.804 1.00 0.00 H new ATOM 621 N PHE A 46 -4.690 -7.278 -5.953 1.00 0.00 N ATOM 622 CA PHE A 46 -4.612 -7.034 -4.523 1.00 0.00 C ATOM 623 C PHE A 46 -5.752 -6.125 -4.058 1.00 0.00 C ATOM 624 O PHE A 46 -5.914 -5.018 -4.569 1.00 0.00 O ATOM 625 CB PHE A 46 -3.278 -6.333 -4.261 1.00 0.00 C ATOM 626 CG PHE A 46 -2.078 -7.010 -4.928 1.00 0.00 C ATOM 627 CD1 PHE A 46 -1.794 -6.759 -6.234 1.00 0.00 C ATOM 628 CD2 PHE A 46 -1.295 -7.863 -4.213 1.00 0.00 C ATOM 629 CE1 PHE A 46 -0.681 -7.387 -6.852 1.00 0.00 C ATOM 630 CE2 PHE A 46 -0.182 -8.491 -4.832 1.00 0.00 C ATOM 631 CZ PHE A 46 0.102 -8.239 -6.138 1.00 0.00 C ATOM 0 H PHE A 46 -5.011 -6.482 -6.504 1.00 0.00 H new ATOM 0 HA PHE A 46 -4.690 -7.976 -3.980 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -3.344 -5.304 -4.614 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -3.107 -6.290 -3.185 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -2.415 -6.082 -6.801 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.520 -8.062 -3.176 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -0.456 -7.188 -7.889 1.00 0.00 H new ATOM 0 HE2 PHE A 46 0.439 -9.169 -4.266 1.00 0.00 H new ATOM 0 HZ PHE A 46 0.950 -8.716 -6.608 1.00 0.00 H new ATOM 640 N TYR A 47 -6.511 -6.627 -3.096 1.00 0.00 N ATOM 641 CA TYR A 47 -7.631 -5.874 -2.558 1.00 0.00 C ATOM 642 C TYR A 47 -7.158 -4.861 -1.513 1.00 0.00 C ATOM 643 O TYR A 47 -7.021 -5.194 -0.337 1.00 0.00 O ATOM 644 CB TYR A 47 -8.541 -6.900 -1.879 1.00 0.00 C ATOM 645 CG TYR A 47 -9.958 -6.391 -1.607 1.00 0.00 C ATOM 646 CD1 TYR A 47 -10.639 -5.689 -2.582 1.00 0.00 C ATOM 647 CD2 TYR A 47 -10.556 -6.632 -0.387 1.00 0.00 C ATOM 648 CE1 TYR A 47 -11.972 -5.210 -2.326 1.00 0.00 C ATOM 649 CE2 TYR A 47 -11.889 -6.153 -0.130 1.00 0.00 C ATOM 650 CZ TYR A 47 -12.532 -5.465 -1.113 1.00 0.00 C ATOM 651 OH TYR A 47 -13.791 -5.012 -0.871 1.00 0.00 O ATOM 0 H TYR A 47 -6.373 -7.546 -2.675 1.00 0.00 H new ATOM 0 HA TYR A 47 -8.139 -5.323 -3.349 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.600 -7.790 -2.506 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -8.088 -7.204 -0.936 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -10.171 -5.499 -3.537 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -10.023 -7.181 0.376 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -12.515 -4.660 -3.080 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -12.368 -6.335 0.821 1.00 0.00 H new ATOM 0 HH TYR A 47 -14.062 -5.268 0.035 1.00 0.00 H new ATOM 660 N VAL A 48 -6.924 -3.643 -1.981 1.00 0.00 N ATOM 661 CA VAL A 48 -6.470 -2.579 -1.103 1.00 0.00 C ATOM 662 C VAL A 48 -7.674 -1.752 -0.645 1.00 0.00 C ATOM 663 O VAL A 48 -8.681 -1.674 -1.348 1.00 0.00 O ATOM 664 CB VAL A 48 -5.400 -1.740 -1.806 1.00 0.00 C ATOM 665 CG1 VAL A 48 -4.241 -2.617 -2.281 1.00 0.00 C ATOM 666 CG2 VAL A 48 -6.002 -0.949 -2.968 1.00 0.00 C ATOM 0 H VAL A 48 -7.041 -3.370 -2.957 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.003 -2.994 -0.210 1.00 0.00 H new ATOM 0 HB VAL A 48 -5.004 -1.026 -1.084 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.495 -1.996 -2.777 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.787 -3.116 -1.424 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.614 -3.365 -2.981 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.221 -0.361 -3.451 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.437 -1.639 -3.691 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.778 -0.282 -2.591 1.00 0.00 H new ATOM 676 N HIS A 49 -7.530 -1.156 0.529 1.00 0.00 N ATOM 677 CA HIS A 49 -8.593 -0.338 1.087 1.00 0.00 C ATOM 678 C HIS A 49 -8.028 1.021 1.507 1.00 0.00 C ATOM 679 O HIS A 49 -7.189 1.099 2.402 1.00 0.00 O ATOM 680 CB HIS A 49 -9.295 -1.068 2.234 1.00 0.00 C ATOM 681 CG HIS A 49 -10.137 -0.171 3.109 1.00 0.00 C ATOM 682 ND1 HIS A 49 -11.410 0.243 2.755 1.00 0.00 N ATOM 683 CD2 HIS A 49 -9.877 0.387 4.327 1.00 0.00 C ATOM 684 CE1 HIS A 49 -11.883 1.014 3.722 1.00 0.00 C ATOM 685 NE2 HIS A 49 -10.932 1.104 4.695 1.00 0.00 N ATOM 0 H HIS A 49 -6.694 -1.223 1.109 1.00 0.00 H new ATOM 0 HA HIS A 49 -9.354 -0.157 0.328 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -9.929 -1.852 1.818 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -8.544 -1.560 2.852 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -11.900 -0.004 1.895 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -8.967 0.266 4.895 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -12.853 1.489 3.737 1.00 0.00 H new ATOM 692 N TYR A 50 -8.513 2.058 0.840 1.00 0.00 N ATOM 693 CA TYR A 50 -8.067 3.410 1.132 1.00 0.00 C ATOM 694 C TYR A 50 -8.383 3.791 2.579 1.00 0.00 C ATOM 695 O TYR A 50 -9.534 3.717 3.007 1.00 0.00 O ATOM 696 CB TYR A 50 -8.854 4.326 0.192 1.00 0.00 C ATOM 697 CG TYR A 50 -8.618 4.044 -1.293 1.00 0.00 C ATOM 698 CD1 TYR A 50 -7.338 3.830 -1.761 1.00 0.00 C ATOM 699 CD2 TYR A 50 -9.688 4.003 -2.166 1.00 0.00 C ATOM 700 CE1 TYR A 50 -7.117 3.564 -3.159 1.00 0.00 C ATOM 701 CE2 TYR A 50 -9.467 3.737 -3.563 1.00 0.00 C ATOM 702 CZ TYR A 50 -8.192 3.532 -3.990 1.00 0.00 C ATOM 703 OH TYR A 50 -7.983 3.280 -5.311 1.00 0.00 O ATOM 0 H TYR A 50 -9.210 1.989 0.099 1.00 0.00 H new ATOM 0 HA TYR A 50 -6.989 3.497 0.995 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -9.918 4.222 0.406 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -8.586 5.362 0.402 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -6.501 3.862 -1.079 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -10.690 4.171 -1.800 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -6.120 3.394 -3.538 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -10.294 3.701 -4.256 1.00 0.00 H new ATOM 0 HH TYR A 50 -7.868 2.316 -5.446 1.00 0.00 H new ATOM 712 N ILE A 51 -7.341 4.191 3.294 1.00 0.00 N ATOM 713 CA ILE A 51 -7.493 4.583 4.685 1.00 0.00 C ATOM 714 C ILE A 51 -7.349 6.102 4.800 1.00 0.00 C ATOM 715 O ILE A 51 -6.625 6.596 5.662 1.00 0.00 O ATOM 716 CB ILE A 51 -6.521 3.804 5.571 1.00 0.00 C ATOM 717 CG1 ILE A 51 -5.121 3.775 4.956 1.00 0.00 C ATOM 718 CG2 ILE A 51 -7.049 2.396 5.860 1.00 0.00 C ATOM 719 CD1 ILE A 51 -4.863 2.447 4.240 1.00 0.00 C ATOM 0 H ILE A 51 -6.388 4.252 2.936 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.489 4.328 5.046 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.442 4.321 6.527 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.013 4.599 4.251 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.374 3.923 5.736 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.338 1.864 6.492 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -8.009 2.465 6.372 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.176 1.855 4.922 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.861 2.453 3.812 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -4.948 1.627 4.953 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.596 2.314 3.445 1.00 0.00 H new ATOM 730 N ASP A 52 -8.051 6.799 3.919 1.00 0.00 N ATOM 731 CA ASP A 52 -8.010 8.252 3.911 1.00 0.00 C ATOM 732 C ASP A 52 -9.439 8.798 3.944 1.00 0.00 C ATOM 733 O ASP A 52 -10.398 8.050 3.760 1.00 0.00 O ATOM 734 CB ASP A 52 -7.332 8.777 2.644 1.00 0.00 C ATOM 735 CG ASP A 52 -6.074 9.614 2.883 1.00 0.00 C ATOM 736 OD1 ASP A 52 -5.333 9.267 3.828 1.00 0.00 O ATOM 737 OD2 ASP A 52 -5.883 10.582 2.116 1.00 0.00 O ATOM 0 H ASP A 52 -8.651 6.385 3.206 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.445 8.578 4.784 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.071 7.928 2.012 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -8.051 9.379 2.088 1.00 0.00 H new ATOM 741 N PHE A 53 -9.536 10.099 4.180 1.00 0.00 N ATOM 742 CA PHE A 53 -10.831 10.754 4.240 1.00 0.00 C ATOM 743 C PHE A 53 -11.681 10.399 3.018 1.00 0.00 C ATOM 744 O PHE A 53 -11.311 10.713 1.887 1.00 0.00 O ATOM 745 CB PHE A 53 -10.569 12.261 4.244 1.00 0.00 C ATOM 746 CG PHE A 53 -11.806 13.108 3.936 1.00 0.00 C ATOM 747 CD1 PHE A 53 -12.845 13.140 4.815 1.00 0.00 C ATOM 748 CD2 PHE A 53 -11.867 13.829 2.784 1.00 0.00 C ATOM 749 CE1 PHE A 53 -13.992 13.926 4.530 1.00 0.00 C ATOM 750 CE2 PHE A 53 -13.016 14.615 2.500 1.00 0.00 C ATOM 751 CZ PHE A 53 -14.054 14.647 3.378 1.00 0.00 C ATOM 0 H PHE A 53 -8.738 10.716 4.332 1.00 0.00 H new ATOM 0 HA PHE A 53 -11.371 10.432 5.131 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -10.178 12.549 5.220 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -9.795 12.487 3.511 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -12.797 12.567 5.729 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -11.043 13.804 2.086 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -14.816 13.952 5.228 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -13.065 15.188 1.586 1.00 0.00 H new ATOM 0 HZ PHE A 53 -14.927 15.244 3.161 1.00 0.00 H new ATOM 760 N ASN A 54 -12.805 9.751 3.287 1.00 0.00 N ATOM 761 CA ASN A 54 -13.711 9.350 2.223 1.00 0.00 C ATOM 762 C ASN A 54 -14.779 8.417 2.795 1.00 0.00 C ATOM 763 O ASN A 54 -15.010 8.397 4.003 1.00 0.00 O ATOM 764 CB ASN A 54 -12.966 8.597 1.120 1.00 0.00 C ATOM 765 CG ASN A 54 -13.318 9.158 -0.260 1.00 0.00 C ATOM 766 OD1 ASN A 54 -13.913 8.496 -1.094 1.00 0.00 O ATOM 767 ND2 ASN A 54 -12.917 10.411 -0.452 1.00 0.00 N ATOM 0 H ASN A 54 -13.109 9.494 4.226 1.00 0.00 H new ATOM 0 HA ASN A 54 -14.160 10.251 1.804 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -11.891 8.673 1.284 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -13.220 7.538 1.162 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -13.103 10.876 -1.341 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -12.423 10.908 0.289 1.00 0.00 H new ATOM 773 N ARG A 55 -15.404 7.665 1.900 1.00 0.00 N ATOM 774 CA ARG A 55 -16.443 6.732 2.299 1.00 0.00 C ATOM 775 C ARG A 55 -16.526 5.572 1.304 1.00 0.00 C ATOM 776 O ARG A 55 -16.199 5.733 0.130 1.00 0.00 O ATOM 777 CB ARG A 55 -17.804 7.424 2.380 1.00 0.00 C ATOM 778 CG ARG A 55 -18.757 6.656 3.298 1.00 0.00 C ATOM 779 CD ARG A 55 -19.269 7.550 4.428 1.00 0.00 C ATOM 780 NE ARG A 55 -18.235 7.676 5.482 1.00 0.00 N ATOM 781 CZ ARG A 55 -18.231 8.634 6.419 1.00 0.00 C ATOM 782 NH1 ARG A 55 -19.204 9.555 6.440 1.00 0.00 N ATOM 783 NH2 ARG A 55 -17.253 8.671 7.334 1.00 0.00 N ATOM 0 H ARG A 55 -15.210 7.684 0.899 1.00 0.00 H new ATOM 0 HA ARG A 55 -16.184 6.350 3.286 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -17.677 8.441 2.751 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -18.237 7.500 1.383 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -19.599 6.278 2.719 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -18.244 5.791 3.718 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -19.523 8.535 4.037 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -20.182 7.130 4.851 1.00 0.00 H new ATOM 0 HE ARG A 55 -17.479 6.991 5.495 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -19.948 9.527 5.743 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -19.201 10.284 7.153 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -16.512 7.970 7.317 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -17.249 9.400 8.047 1.00 0.00 H new ATOM 794 N ARG A 56 -16.964 4.429 1.812 1.00 0.00 N ATOM 795 CA ARG A 56 -17.095 3.243 0.984 1.00 0.00 C ATOM 796 C ARG A 56 -15.879 3.102 0.065 1.00 0.00 C ATOM 797 O ARG A 56 -15.953 3.415 -1.123 1.00 0.00 O ATOM 798 CB ARG A 56 -18.364 3.302 0.132 1.00 0.00 C ATOM 799 CG ARG A 56 -18.678 1.937 -0.481 1.00 0.00 C ATOM 800 CD ARG A 56 -19.401 2.089 -1.820 1.00 0.00 C ATOM 801 NE ARG A 56 -20.404 1.012 -1.980 1.00 0.00 N ATOM 802 CZ ARG A 56 -21.181 0.864 -3.061 1.00 0.00 C ATOM 803 NH1 ARG A 56 -21.076 1.723 -4.085 1.00 0.00 N ATOM 804 NH2 ARG A 56 -22.064 -0.143 -3.119 1.00 0.00 N ATOM 0 H ARG A 56 -17.233 4.300 2.787 1.00 0.00 H new ATOM 0 HA ARG A 56 -17.157 2.381 1.648 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -19.203 3.630 0.746 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -18.240 4.040 -0.660 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -17.753 1.378 -0.625 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -19.296 1.360 0.206 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -19.889 3.062 -1.870 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -18.681 2.051 -2.638 1.00 0.00 H new ATOM 0 HE ARG A 56 -20.510 0.341 -1.219 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -20.404 2.489 -4.041 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -21.668 1.610 -4.908 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -22.144 -0.796 -2.340 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -22.656 -0.256 -3.942 1.00 0.00 H new ATOM 815 N LEU A 57 -14.787 2.630 0.649 1.00 0.00 N ATOM 816 CA LEU A 57 -13.557 2.443 -0.102 1.00 0.00 C ATOM 817 C LEU A 57 -13.203 0.955 -0.131 1.00 0.00 C ATOM 818 O LEU A 57 -13.172 0.301 0.910 1.00 0.00 O ATOM 819 CB LEU A 57 -12.445 3.330 0.461 1.00 0.00 C ATOM 820 CG LEU A 57 -12.777 4.818 0.596 1.00 0.00 C ATOM 821 CD1 LEU A 57 -12.128 5.413 1.848 1.00 0.00 C ATOM 822 CD2 LEU A 57 -12.388 5.583 -0.671 1.00 0.00 C ATOM 0 H LEU A 57 -14.729 2.371 1.634 1.00 0.00 H new ATOM 0 HA LEU A 57 -13.691 2.759 -1.137 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -12.167 2.950 1.444 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -11.569 3.230 -0.179 1.00 0.00 H new ATOM 0 HG LEU A 57 -13.856 4.919 0.714 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -12.380 6.471 1.920 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -12.496 4.891 2.731 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -11.046 5.301 1.785 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -12.634 6.638 -0.549 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -11.317 5.478 -0.845 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -12.935 5.179 -1.523 1.00 0.00 H new ATOM 833 N ASP A 58 -12.944 0.464 -1.334 1.00 0.00 N ATOM 834 CA ASP A 58 -12.593 -0.935 -1.512 1.00 0.00 C ATOM 835 C ASP A 58 -12.630 -1.280 -3.002 1.00 0.00 C ATOM 836 O ASP A 58 -13.684 -1.219 -3.631 1.00 0.00 O ATOM 837 CB ASP A 58 -13.586 -1.847 -0.790 1.00 0.00 C ATOM 838 CG ASP A 58 -15.059 -1.483 -0.984 1.00 0.00 C ATOM 839 OD1 ASP A 58 -15.399 -0.317 -0.687 1.00 0.00 O ATOM 840 OD2 ASP A 58 -15.812 -2.378 -1.425 1.00 0.00 O ATOM 0 H ASP A 58 -12.970 1.010 -2.195 1.00 0.00 H new ATOM 0 HA ASP A 58 -11.596 -1.088 -1.099 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -13.432 -2.870 -1.133 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -13.361 -1.831 0.276 1.00 0.00 H new ATOM 844 N GLU A 59 -11.464 -1.636 -3.522 1.00 0.00 N ATOM 845 CA GLU A 59 -11.350 -1.991 -4.927 1.00 0.00 C ATOM 846 C GLU A 59 -10.058 -2.771 -5.173 1.00 0.00 C ATOM 847 O GLU A 59 -9.060 -2.562 -4.484 1.00 0.00 O ATOM 848 CB GLU A 59 -11.417 -0.747 -5.815 1.00 0.00 C ATOM 849 CG GLU A 59 -10.150 0.098 -5.672 1.00 0.00 C ATOM 850 CD GLU A 59 -10.147 1.255 -6.673 1.00 0.00 C ATOM 851 OE1 GLU A 59 -11.232 1.846 -6.860 1.00 0.00 O ATOM 852 OE2 GLU A 59 -9.060 1.521 -7.230 1.00 0.00 O ATOM 0 H GLU A 59 -10.591 -1.686 -2.997 1.00 0.00 H new ATOM 0 HA GLU A 59 -12.193 -2.630 -5.190 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.544 -1.045 -6.856 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.289 -0.150 -5.546 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.083 0.490 -4.657 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -9.272 -0.527 -5.831 1.00 0.00 H new ATOM 857 N TRP A 60 -10.115 -3.654 -6.160 1.00 0.00 N ATOM 858 CA TRP A 60 -8.962 -4.466 -6.506 1.00 0.00 C ATOM 859 C TRP A 60 -7.988 -3.591 -7.299 1.00 0.00 C ATOM 860 O TRP A 60 -8.409 -2.700 -8.035 1.00 0.00 O ATOM 861 CB TRP A 60 -9.385 -5.727 -7.262 1.00 0.00 C ATOM 862 CG TRP A 60 -10.143 -6.743 -6.404 1.00 0.00 C ATOM 863 CD1 TRP A 60 -11.456 -6.783 -6.140 1.00 0.00 C ATOM 864 CD2 TRP A 60 -9.575 -7.869 -5.703 1.00 0.00 C ATOM 865 NE1 TRP A 60 -11.775 -7.850 -5.325 1.00 0.00 N ATOM 866 CE2 TRP A 60 -10.595 -8.531 -5.050 1.00 0.00 C ATOM 867 CE3 TRP A 60 -8.243 -8.314 -5.624 1.00 0.00 C ATOM 868 CZ2 TRP A 60 -10.390 -9.676 -4.271 1.00 0.00 C ATOM 869 CZ3 TRP A 60 -8.056 -9.459 -4.842 1.00 0.00 C ATOM 870 CH2 TRP A 60 -9.071 -10.138 -4.177 1.00 0.00 C ATOM 0 H TRP A 60 -10.943 -3.824 -6.731 1.00 0.00 H new ATOM 0 HA TRP A 60 -8.458 -4.822 -5.608 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -10.013 -5.439 -8.105 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -8.497 -6.206 -7.674 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -12.174 -6.070 -6.517 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -12.706 -8.094 -4.987 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -7.430 -7.812 -6.127 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -11.205 -10.176 -3.769 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -7.051 -9.843 -4.748 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -8.844 -11.017 -3.591 1.00 0.00 H new ATOM 880 N VAL A 61 -6.707 -3.877 -7.123 1.00 0.00 N ATOM 881 CA VAL A 61 -5.672 -3.127 -7.814 1.00 0.00 C ATOM 882 C VAL A 61 -4.586 -4.092 -8.295 1.00 0.00 C ATOM 883 O VAL A 61 -4.656 -5.292 -8.034 1.00 0.00 O ATOM 884 CB VAL A 61 -5.130 -2.023 -6.904 1.00 0.00 C ATOM 885 CG1 VAL A 61 -6.271 -1.263 -6.225 1.00 0.00 C ATOM 886 CG2 VAL A 61 -4.159 -2.593 -5.868 1.00 0.00 C ATOM 0 H VAL A 61 -6.362 -4.617 -6.512 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.081 -2.632 -8.695 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.580 -1.317 -7.526 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.858 -0.484 -5.584 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.908 -0.809 -6.984 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.861 -1.954 -5.623 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.789 -1.787 -5.234 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.675 -3.330 -5.253 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.321 -3.068 -6.378 1.00 0.00 H new ATOM 896 N THR A 62 -3.606 -3.530 -8.990 1.00 0.00 N ATOM 897 CA THR A 62 -2.507 -4.325 -9.510 1.00 0.00 C ATOM 898 C THR A 62 -1.234 -4.071 -8.701 1.00 0.00 C ATOM 899 O THR A 62 -1.300 -3.599 -7.567 1.00 0.00 O ATOM 900 CB THR A 62 -2.355 -4.006 -10.998 1.00 0.00 C ATOM 901 OG1 THR A 62 -1.828 -2.681 -11.016 1.00 0.00 O ATOM 902 CG2 THR A 62 -3.703 -3.879 -11.711 1.00 0.00 C ATOM 0 H THR A 62 -3.551 -2.534 -9.204 1.00 0.00 H new ATOM 0 HA THR A 62 -2.710 -5.391 -9.410 1.00 0.00 H new ATOM 0 HB THR A 62 -1.763 -4.785 -11.477 1.00 0.00 H new ATOM 0 HG1 THR A 62 -1.696 -2.394 -11.944 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.538 -3.652 -12.764 1.00 0.00 H new ATOM 0 HG22 THR A 62 -4.251 -4.817 -11.624 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.282 -3.077 -11.254 1.00 0.00 H new ATOM 910 N HIS A 63 -0.105 -4.395 -9.314 1.00 0.00 N ATOM 911 CA HIS A 63 1.180 -4.207 -8.665 1.00 0.00 C ATOM 912 C HIS A 63 1.807 -2.894 -9.138 1.00 0.00 C ATOM 913 O HIS A 63 2.821 -2.455 -8.598 1.00 0.00 O ATOM 914 CB HIS A 63 2.089 -5.416 -8.897 1.00 0.00 C ATOM 915 CG HIS A 63 3.552 -5.140 -8.649 1.00 0.00 C ATOM 916 ND1 HIS A 63 4.558 -5.657 -9.447 1.00 0.00 N ATOM 917 CD2 HIS A 63 4.169 -4.397 -7.685 1.00 0.00 C ATOM 918 CE1 HIS A 63 5.724 -5.239 -8.974 1.00 0.00 C ATOM 919 NE2 HIS A 63 5.480 -4.458 -7.881 1.00 0.00 N ATOM 0 H HIS A 63 -0.054 -4.787 -10.254 1.00 0.00 H new ATOM 0 HA HIS A 63 1.039 -4.134 -7.587 1.00 0.00 H new ATOM 0 HB2 HIS A 63 1.768 -6.229 -8.246 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.964 -5.760 -9.924 1.00 0.00 H new ATOM 0 HD2 HIS A 63 3.674 -3.851 -6.896 1.00 0.00 H new ATOM 0 HE1 HIS A 63 6.696 -5.475 -9.382 1.00 0.00 H new ATOM 0 HE2 HIS A 63 6.188 -3.998 -7.310 1.00 0.00 H new ATOM 926 N GLU A 64 1.177 -2.302 -10.143 1.00 0.00 N ATOM 927 CA GLU A 64 1.661 -1.049 -10.696 1.00 0.00 C ATOM 928 C GLU A 64 1.286 0.115 -9.777 1.00 0.00 C ATOM 929 O GLU A 64 2.053 1.067 -9.629 1.00 0.00 O ATOM 930 CB GLU A 64 1.120 -0.828 -12.110 1.00 0.00 C ATOM 931 CG GLU A 64 1.916 0.256 -12.838 1.00 0.00 C ATOM 932 CD GLU A 64 1.640 0.221 -14.343 1.00 0.00 C ATOM 933 OE1 GLU A 64 0.469 0.459 -14.710 1.00 0.00 O ATOM 934 OE2 GLU A 64 2.606 -0.042 -15.092 1.00 0.00 O ATOM 0 H GLU A 64 0.335 -2.668 -10.588 1.00 0.00 H new ATOM 0 HA GLU A 64 2.748 -1.099 -10.763 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.170 -1.760 -12.672 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.069 -0.542 -12.061 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.653 1.236 -12.439 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.981 0.114 -12.657 1.00 0.00 H new ATOM 939 N ARG A 65 0.106 0.003 -9.183 1.00 0.00 N ATOM 940 CA ARG A 65 -0.379 1.036 -8.283 1.00 0.00 C ATOM 941 C ARG A 65 0.341 0.947 -6.936 1.00 0.00 C ATOM 942 O ARG A 65 0.499 1.952 -6.245 1.00 0.00 O ATOM 943 CB ARG A 65 -1.887 0.904 -8.057 1.00 0.00 C ATOM 944 CG ARG A 65 -2.657 1.103 -9.365 1.00 0.00 C ATOM 945 CD ARG A 65 -4.098 0.607 -9.233 1.00 0.00 C ATOM 946 NE ARG A 65 -5.014 1.519 -9.952 1.00 0.00 N ATOM 947 CZ ARG A 65 -5.037 1.665 -11.285 1.00 0.00 C ATOM 948 NH1 ARG A 65 -4.193 0.959 -12.050 1.00 0.00 N ATOM 949 NH2 ARG A 65 -5.903 2.516 -11.851 1.00 0.00 N ATOM 0 H ARG A 65 -0.528 -0.787 -9.307 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.175 2.002 -8.745 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -2.112 -0.080 -7.644 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -2.214 1.640 -7.323 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -2.655 2.159 -9.635 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -2.156 0.567 -10.171 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -4.183 -0.401 -9.638 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -4.378 0.552 -8.181 1.00 0.00 H new ATOM 0 HE ARG A 65 -5.669 2.072 -9.399 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -3.534 0.311 -11.618 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -4.210 1.069 -13.064 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -6.545 3.053 -11.268 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -5.920 2.627 -12.865 1.00 0.00 H new ATOM 960 N LEU A 66 0.759 -0.266 -6.603 1.00 0.00 N ATOM 961 CA LEU A 66 1.458 -0.499 -5.351 1.00 0.00 C ATOM 962 C LEU A 66 2.824 0.190 -5.399 1.00 0.00 C ATOM 963 O LEU A 66 3.580 0.012 -6.353 1.00 0.00 O ATOM 964 CB LEU A 66 1.535 -1.997 -5.052 1.00 0.00 C ATOM 965 CG LEU A 66 0.206 -2.755 -5.071 1.00 0.00 C ATOM 966 CD1 LEU A 66 0.436 -4.265 -5.155 1.00 0.00 C ATOM 967 CD2 LEU A 66 -0.661 -2.374 -3.870 1.00 0.00 C ATOM 0 H LEU A 66 0.627 -1.097 -7.179 1.00 0.00 H new ATOM 0 HA LEU A 66 0.908 -0.059 -4.519 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.204 -2.458 -5.779 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.991 -2.128 -4.071 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.340 -2.462 -5.968 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.525 -4.779 -5.167 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.984 -4.499 -6.067 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.013 -4.594 -4.291 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.599 -2.927 -3.909 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.133 -2.618 -2.948 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.869 -1.304 -3.896 1.00 0.00 H new ATOM 978 N ASP A 67 3.097 0.963 -4.358 1.00 0.00 N ATOM 979 CA ASP A 67 4.359 1.678 -4.269 1.00 0.00 C ATOM 980 C ASP A 67 5.166 1.136 -3.088 1.00 0.00 C ATOM 981 O ASP A 67 5.301 1.805 -2.065 1.00 0.00 O ATOM 982 CB ASP A 67 4.128 3.173 -4.038 1.00 0.00 C ATOM 983 CG ASP A 67 5.175 4.095 -4.666 1.00 0.00 C ATOM 984 OD1 ASP A 67 6.145 3.547 -5.233 1.00 0.00 O ATOM 985 OD2 ASP A 67 4.981 5.325 -4.568 1.00 0.00 O ATOM 0 H ASP A 67 2.467 1.110 -3.570 1.00 0.00 H new ATOM 0 HA ASP A 67 4.895 1.536 -5.208 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.148 3.439 -4.434 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.100 3.359 -2.964 1.00 0.00 H new ATOM 989 N LEU A 68 5.682 -0.070 -3.270 1.00 0.00 N ATOM 990 CA LEU A 68 6.473 -0.711 -2.233 1.00 0.00 C ATOM 991 C LEU A 68 7.559 0.257 -1.756 1.00 0.00 C ATOM 992 O LEU A 68 8.089 0.107 -0.656 1.00 0.00 O ATOM 993 CB LEU A 68 7.018 -2.053 -2.727 1.00 0.00 C ATOM 994 CG LEU A 68 6.115 -2.832 -3.684 1.00 0.00 C ATOM 995 CD1 LEU A 68 6.554 -4.295 -3.783 1.00 0.00 C ATOM 996 CD2 LEU A 68 4.645 -2.700 -3.282 1.00 0.00 C ATOM 0 H LEU A 68 5.568 -0.621 -4.121 1.00 0.00 H new ATOM 0 HA LEU A 68 5.852 -0.945 -1.369 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.972 -1.875 -3.223 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.222 -2.681 -1.860 1.00 0.00 H new ATOM 0 HG LEU A 68 6.216 -2.397 -4.679 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.895 -4.827 -4.470 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.578 -4.343 -4.152 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.501 -4.758 -2.798 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.025 -3.264 -3.979 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.507 -3.092 -2.275 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.354 -1.650 -3.305 1.00 0.00 H new ATOM 1007 N LYS A 69 7.858 1.226 -2.607 1.00 0.00 N ATOM 1008 CA LYS A 69 8.871 2.218 -2.287 1.00 0.00 C ATOM 1009 C LYS A 69 8.426 3.016 -1.060 1.00 0.00 C ATOM 1010 O LYS A 69 9.215 3.761 -0.480 1.00 0.00 O ATOM 1011 CB LYS A 69 9.176 3.086 -3.508 1.00 0.00 C ATOM 1012 CG LYS A 69 9.600 2.226 -4.701 1.00 0.00 C ATOM 1013 CD LYS A 69 10.903 2.743 -5.314 1.00 0.00 C ATOM 1014 CE LYS A 69 10.880 2.616 -6.838 1.00 0.00 C ATOM 1015 NZ LYS A 69 11.736 3.652 -7.458 1.00 0.00 N ATOM 0 H LYS A 69 7.417 1.346 -3.519 1.00 0.00 H new ATOM 0 HA LYS A 69 9.812 1.732 -2.028 1.00 0.00 H new ATOM 0 HB2 LYS A 69 8.295 3.671 -3.772 1.00 0.00 H new ATOM 0 HB3 LYS A 69 9.968 3.794 -3.266 1.00 0.00 H new ATOM 0 HG2 LYS A 69 9.730 1.192 -4.381 1.00 0.00 H new ATOM 0 HG3 LYS A 69 8.813 2.230 -5.455 1.00 0.00 H new ATOM 0 HD2 LYS A 69 11.052 3.786 -5.035 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.746 2.182 -4.911 1.00 0.00 H new ATOM 0 HE2 LYS A 69 11.228 1.625 -7.131 1.00 0.00 H new ATOM 0 HE3 LYS A 69 9.857 2.716 -7.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 11.709 3.551 -8.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 11.387 4.595 -7.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 12.715 3.539 -7.125 1.00 0.00 H new ATOM 1025 N LYS A 70 7.164 2.834 -0.701 1.00 0.00 N ATOM 1026 CA LYS A 70 6.604 3.529 0.447 1.00 0.00 C ATOM 1027 C LYS A 70 5.816 2.536 1.304 1.00 0.00 C ATOM 1028 O LYS A 70 5.072 2.936 2.198 1.00 0.00 O ATOM 1029 CB LYS A 70 5.783 4.737 -0.006 1.00 0.00 C ATOM 1030 CG LYS A 70 6.667 5.769 -0.711 1.00 0.00 C ATOM 1031 CD LYS A 70 6.592 7.126 -0.011 1.00 0.00 C ATOM 1032 CE LYS A 70 7.966 7.796 0.037 1.00 0.00 C ATOM 1033 NZ LYS A 70 8.150 8.685 -1.132 1.00 0.00 N ATOM 0 H LYS A 70 6.513 2.215 -1.184 1.00 0.00 H new ATOM 0 HA LYS A 70 7.400 3.931 1.074 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.991 4.411 -0.680 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.299 5.196 0.856 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.699 5.420 -0.725 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.352 5.874 -1.749 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.887 7.771 -0.536 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.212 6.996 1.002 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.065 8.371 0.958 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.747 7.036 0.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 9.088 9.132 -1.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.076 8.128 -2.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.415 9.421 -1.128 1.00 0.00 H new ATOM 1043 N ILE A 71 6.007 1.261 1.001 1.00 0.00 N ATOM 1044 CA ILE A 71 5.323 0.208 1.732 1.00 0.00 C ATOM 1045 C ILE A 71 5.462 0.463 3.235 1.00 0.00 C ATOM 1046 O ILE A 71 6.249 1.310 3.654 1.00 0.00 O ATOM 1047 CB ILE A 71 5.831 -1.167 1.293 1.00 0.00 C ATOM 1048 CG1 ILE A 71 4.676 -2.051 0.816 1.00 0.00 C ATOM 1049 CG2 ILE A 71 6.642 -1.835 2.405 1.00 0.00 C ATOM 1050 CD1 ILE A 71 5.195 -3.382 0.266 1.00 0.00 C ATOM 0 H ILE A 71 6.626 0.933 0.259 1.00 0.00 H new ATOM 0 HA ILE A 71 4.257 0.217 1.503 1.00 0.00 H new ATOM 0 HB ILE A 71 6.502 -1.028 0.446 1.00 0.00 H new ATOM 0 HG12 ILE A 71 3.991 -2.238 1.643 1.00 0.00 H new ATOM 0 HG13 ILE A 71 4.110 -1.530 0.044 1.00 0.00 H new ATOM 0 HG21 ILE A 71 6.990 -2.810 2.066 1.00 0.00 H new ATOM 0 HG22 ILE A 71 7.499 -1.210 2.655 1.00 0.00 H new ATOM 0 HG23 ILE A 71 6.015 -1.961 3.287 1.00 0.00 H new ATOM 0 HD11 ILE A 71 4.354 -3.991 -0.066 1.00 0.00 H new ATOM 0 HD12 ILE A 71 5.861 -3.193 -0.576 1.00 0.00 H new ATOM 0 HD13 ILE A 71 5.740 -3.911 1.048 1.00 0.00 H new ATOM 1061 N GLN A 72 4.688 -0.287 4.004 1.00 0.00 N ATOM 1062 CA GLN A 72 4.715 -0.153 5.451 1.00 0.00 C ATOM 1063 C GLN A 72 4.250 -1.452 6.113 1.00 0.00 C ATOM 1064 O GLN A 72 3.254 -1.463 6.835 1.00 0.00 O ATOM 1065 CB GLN A 72 3.861 1.032 5.908 1.00 0.00 C ATOM 1066 CG GLN A 72 4.708 2.300 6.037 1.00 0.00 C ATOM 1067 CD GLN A 72 4.231 3.160 7.210 1.00 0.00 C ATOM 1068 OE1 GLN A 72 4.771 3.117 8.303 1.00 0.00 O ATOM 1069 NE2 GLN A 72 3.193 3.940 6.922 1.00 0.00 N ATOM 0 H GLN A 72 4.038 -0.990 3.653 1.00 0.00 H new ATOM 0 HA GLN A 72 5.742 0.042 5.759 1.00 0.00 H new ATOM 0 HB2 GLN A 72 3.054 1.200 5.195 1.00 0.00 H new ATOM 0 HB3 GLN A 72 3.396 0.802 6.867 1.00 0.00 H new ATOM 0 HG2 GLN A 72 5.754 2.030 6.181 1.00 0.00 H new ATOM 0 HG3 GLN A 72 4.652 2.875 5.113 1.00 0.00 H new ATOM 0 HE21 GLN A 72 2.789 3.926 5.985 1.00 0.00 H new ATOM 0 HE22 GLN A 72 2.801 4.552 7.638 1.00 0.00 H new ATOM 1076 N PHE A 73 4.994 -2.515 5.845 1.00 0.00 N ATOM 1077 CA PHE A 73 4.670 -3.815 6.405 1.00 0.00 C ATOM 1078 C PHE A 73 4.171 -3.683 7.846 1.00 0.00 C ATOM 1079 O PHE A 73 4.494 -2.714 8.531 1.00 0.00 O ATOM 1080 CB PHE A 73 5.960 -4.639 6.399 1.00 0.00 C ATOM 1081 CG PHE A 73 6.263 -5.310 5.058 1.00 0.00 C ATOM 1082 CD1 PHE A 73 6.894 -4.612 4.076 1.00 0.00 C ATOM 1083 CD2 PHE A 73 5.900 -6.604 4.848 1.00 0.00 C ATOM 1084 CE1 PHE A 73 7.175 -5.235 2.831 1.00 0.00 C ATOM 1085 CE2 PHE A 73 6.181 -7.227 3.603 1.00 0.00 C ATOM 1086 CZ PHE A 73 6.813 -6.529 2.621 1.00 0.00 C ATOM 0 H PHE A 73 5.820 -2.502 5.247 1.00 0.00 H new ATOM 0 HA PHE A 73 3.882 -4.287 5.818 1.00 0.00 H new ATOM 0 HB2 PHE A 73 6.794 -3.991 6.666 1.00 0.00 H new ATOM 0 HB3 PHE A 73 5.893 -5.406 7.171 1.00 0.00 H new ATOM 0 HD1 PHE A 73 7.181 -3.584 4.243 1.00 0.00 H new ATOM 0 HD2 PHE A 73 5.398 -7.158 5.628 1.00 0.00 H new ATOM 0 HE1 PHE A 73 7.676 -4.681 2.051 1.00 0.00 H new ATOM 0 HE2 PHE A 73 5.893 -8.254 3.436 1.00 0.00 H new ATOM 0 HZ PHE A 73 7.027 -7.003 1.674 1.00 0.00 H new ATOM 1095 N PRO A 74 3.371 -4.697 8.273 1.00 0.00 N ATOM 1096 CA PRO A 74 2.825 -4.702 9.619 1.00 0.00 C ATOM 1097 C PRO A 74 3.898 -5.070 10.645 1.00 0.00 C ATOM 1098 O PRO A 74 5.012 -5.444 10.278 1.00 0.00 O ATOM 1099 CB PRO A 74 1.680 -5.700 9.575 1.00 0.00 C ATOM 1100 CG PRO A 74 1.919 -6.555 8.341 1.00 0.00 C ATOM 1101 CD PRO A 74 2.969 -5.860 7.489 1.00 0.00 C ATOM 0 HA PRO A 74 2.469 -3.720 9.932 1.00 0.00 H new ATOM 0 HB2 PRO A 74 1.661 -6.312 10.477 1.00 0.00 H new ATOM 0 HB3 PRO A 74 0.719 -5.189 9.516 1.00 0.00 H new ATOM 0 HG2 PRO A 74 2.257 -7.551 8.626 1.00 0.00 H new ATOM 0 HG3 PRO A 74 0.994 -6.681 7.779 1.00 0.00 H new ATOM 0 HD2 PRO A 74 3.816 -6.516 7.291 1.00 0.00 H new ATOM 0 HD3 PRO A 74 2.562 -5.564 6.522 1.00 0.00 H new ATOM 1106 N LYS A 75 3.527 -4.953 11.912 1.00 0.00 N ATOM 1107 CA LYS A 75 4.445 -5.269 12.994 1.00 0.00 C ATOM 1108 C LYS A 75 3.644 -5.656 14.239 1.00 0.00 C ATOM 1109 O LYS A 75 3.726 -4.987 15.267 1.00 0.00 O ATOM 1110 CB LYS A 75 5.418 -4.112 13.224 1.00 0.00 C ATOM 1111 CG LYS A 75 6.490 -4.493 14.250 1.00 0.00 C ATOM 1112 CD LYS A 75 7.778 -3.702 14.016 1.00 0.00 C ATOM 1113 CE LYS A 75 8.423 -3.300 15.344 1.00 0.00 C ATOM 1114 NZ LYS A 75 9.422 -4.309 15.761 1.00 0.00 N ATOM 0 H LYS A 75 2.603 -4.644 12.214 1.00 0.00 H new ATOM 0 HA LYS A 75 5.063 -6.128 12.732 1.00 0.00 H new ATOM 0 HB2 LYS A 75 5.892 -3.838 12.282 1.00 0.00 H new ATOM 0 HB3 LYS A 75 4.871 -3.236 13.572 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.119 -4.301 15.257 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.698 -5.561 14.185 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.478 -4.303 13.435 1.00 0.00 H new ATOM 0 HD3 LYS A 75 7.560 -2.810 13.429 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.902 -2.326 15.243 1.00 0.00 H new ATOM 0 HE3 LYS A 75 7.656 -3.200 16.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 9.850 -4.021 16.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 8.956 -5.231 15.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.163 -4.385 15.035 1.00 0.00 H new ATOM 1124 N LYS A 76 2.888 -6.736 14.104 1.00 0.00 N ATOM 1125 CA LYS A 76 2.074 -7.222 15.205 1.00 0.00 C ATOM 1126 C LYS A 76 0.847 -6.321 15.362 1.00 0.00 C ATOM 1127 O LYS A 76 0.819 -5.206 14.842 1.00 0.00 O ATOM 1128 CB LYS A 76 2.913 -7.345 16.479 1.00 0.00 C ATOM 1129 CG LYS A 76 2.972 -8.797 16.957 1.00 0.00 C ATOM 1130 CD LYS A 76 3.665 -8.898 18.318 1.00 0.00 C ATOM 1131 CE LYS A 76 2.899 -9.833 19.256 1.00 0.00 C ATOM 1132 NZ LYS A 76 3.446 -11.206 19.178 1.00 0.00 N ATOM 0 H LYS A 76 2.822 -7.288 13.249 1.00 0.00 H new ATOM 0 HA LYS A 76 1.708 -8.227 14.994 1.00 0.00 H new ATOM 0 HB2 LYS A 76 3.922 -6.979 16.291 1.00 0.00 H new ATOM 0 HB3 LYS A 76 2.487 -6.717 17.262 1.00 0.00 H new ATOM 0 HG2 LYS A 76 1.962 -9.202 17.028 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.508 -9.403 16.226 1.00 0.00 H new ATOM 0 HD2 LYS A 76 4.683 -9.264 18.185 1.00 0.00 H new ATOM 0 HD3 LYS A 76 3.739 -7.907 18.767 1.00 0.00 H new ATOM 0 HE2 LYS A 76 2.966 -9.466 20.280 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.842 -9.840 18.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 2.915 -11.828 19.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 3.359 -11.559 18.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 4.448 -11.197 19.455 1.00 0.00 H new ATOM 1142 N GLU A 77 -0.139 -6.837 16.081 1.00 0.00 N ATOM 1143 CA GLU A 77 -1.366 -6.094 16.312 1.00 0.00 C ATOM 1144 C GLU A 77 -1.081 -4.848 17.153 1.00 0.00 C ATOM 1145 O GLU A 77 -0.802 -4.951 18.347 1.00 0.00 O ATOM 1146 CB GLU A 77 -2.424 -6.975 16.978 1.00 0.00 C ATOM 1147 CG GLU A 77 -3.557 -7.305 16.004 1.00 0.00 C ATOM 1148 CD GLU A 77 -4.558 -6.150 15.916 1.00 0.00 C ATOM 1149 OE1 GLU A 77 -4.140 -5.072 15.442 1.00 0.00 O ATOM 1150 OE2 GLU A 77 -5.717 -6.373 16.327 1.00 0.00 O ATOM 0 H GLU A 77 -0.113 -7.761 16.511 1.00 0.00 H new ATOM 0 HA GLU A 77 -1.762 -5.775 15.348 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -1.964 -7.898 17.332 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -2.829 -6.465 17.852 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.144 -7.509 15.016 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -4.069 -8.211 16.329 1.00 0.00 H new ATOM 1155 N ALA A 78 -1.160 -3.700 16.497 1.00 0.00 N ATOM 1156 CA ALA A 78 -0.913 -2.435 17.170 1.00 0.00 C ATOM 1157 C ALA A 78 -1.726 -1.333 16.487 1.00 0.00 C ATOM 1158 O ALA A 78 -1.712 -1.214 15.263 1.00 0.00 O ATOM 1159 CB ALA A 78 0.587 -2.140 17.168 1.00 0.00 C ATOM 0 H ALA A 78 -1.391 -3.619 15.507 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.233 -2.484 18.211 1.00 0.00 H new ATOM 0 HB1 ALA A 78 0.772 -1.192 17.673 1.00 0.00 H new ATOM 0 HB2 ALA A 78 1.115 -2.938 17.690 1.00 0.00 H new ATOM 0 HB3 ALA A 78 0.945 -2.080 16.140 1.00 0.00 H new ATOM 1165 N LYS A 79 -2.415 -0.554 17.309 1.00 0.00 N ATOM 1166 CA LYS A 79 -3.231 0.534 16.800 1.00 0.00 C ATOM 1167 C LYS A 79 -2.322 1.655 16.294 1.00 0.00 C ATOM 1168 O LYS A 79 -2.150 2.671 16.966 1.00 0.00 O ATOM 1169 CB LYS A 79 -4.238 0.989 17.859 1.00 0.00 C ATOM 1170 CG LYS A 79 -5.293 1.915 17.251 1.00 0.00 C ATOM 1171 CD LYS A 79 -6.532 1.997 18.144 1.00 0.00 C ATOM 1172 CE LYS A 79 -7.077 3.425 18.199 1.00 0.00 C ATOM 1173 NZ LYS A 79 -6.918 3.988 19.558 1.00 0.00 N ATOM 0 H LYS A 79 -2.424 -0.655 18.324 1.00 0.00 H new ATOM 0 HA LYS A 79 -3.826 0.199 15.951 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -4.724 0.119 18.301 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -3.716 1.506 18.664 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -4.872 2.911 17.115 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -5.576 1.551 16.263 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -7.302 1.325 17.766 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -6.282 1.661 19.150 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -6.551 4.049 17.476 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -8.130 3.430 17.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -7.293 4.958 19.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -7.439 3.401 20.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -5.910 4.001 19.812 1.00 0.00 H new ATOM 1183 N THR A 80 -1.763 1.432 15.114 1.00 0.00 N ATOM 1184 CA THR A 80 -0.875 2.411 14.509 1.00 0.00 C ATOM 1185 C THR A 80 -1.488 3.810 14.592 1.00 0.00 C ATOM 1186 O THR A 80 -2.678 3.987 14.332 1.00 0.00 O ATOM 1187 CB THR A 80 -0.579 1.961 13.077 1.00 0.00 C ATOM 1188 OG1 THR A 80 0.199 3.023 12.533 1.00 0.00 O ATOM 1189 CG2 THR A 80 -1.834 1.933 12.202 1.00 0.00 C ATOM 0 H THR A 80 -1.908 0.588 14.560 1.00 0.00 H new ATOM 0 HA THR A 80 0.071 2.472 15.047 1.00 0.00 H new ATOM 0 HB THR A 80 -0.125 0.970 13.094 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.437 2.813 11.606 1.00 0.00 H new ATOM 0 HG21 THR A 80 -1.569 1.607 11.196 1.00 0.00 H new ATOM 0 HG22 THR A 80 -2.560 1.240 12.629 1.00 0.00 H new ATOM 0 HG23 THR A 80 -2.269 2.932 12.157 1.00 0.00 H new ATOM 1197 N PRO A 81 -0.627 4.795 14.964 1.00 0.00 N ATOM 1198 CA PRO A 81 -1.072 6.172 15.085 1.00 0.00 C ATOM 1199 C PRO A 81 -1.259 6.810 13.706 1.00 0.00 C ATOM 1200 O PRO A 81 -0.598 6.422 12.744 1.00 0.00 O ATOM 1201 CB PRO A 81 -0.001 6.860 15.917 1.00 0.00 C ATOM 1202 CG PRO A 81 1.225 5.966 15.839 1.00 0.00 C ATOM 1203 CD PRO A 81 0.789 4.622 15.279 1.00 0.00 C ATOM 0 HA PRO A 81 -2.047 6.259 15.565 1.00 0.00 H new ATOM 0 HB2 PRO A 81 0.216 7.855 15.529 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -0.328 6.985 16.949 1.00 0.00 H new ATOM 0 HG2 PRO A 81 1.986 6.416 15.201 1.00 0.00 H new ATOM 0 HG3 PRO A 81 1.670 5.842 16.826 1.00 0.00 H new ATOM 0 HD2 PRO A 81 1.363 4.358 14.391 1.00 0.00 H new ATOM 0 HD3 PRO A 81 0.939 3.823 16.005 1.00 0.00 H new ATOM 1208 N SER A 82 -2.162 7.779 13.656 1.00 0.00 N ATOM 1209 CA SER A 82 -2.444 8.474 12.411 1.00 0.00 C ATOM 1210 C SER A 82 -1.626 9.764 12.336 1.00 0.00 C ATOM 1211 O SER A 82 -1.102 10.231 13.346 1.00 0.00 O ATOM 1212 CB SER A 82 -3.937 8.785 12.281 1.00 0.00 C ATOM 1213 OG SER A 82 -4.669 7.678 11.762 1.00 0.00 O ATOM 0 H SER A 82 -2.707 8.099 14.457 1.00 0.00 H new ATOM 0 HA SER A 82 -2.162 7.823 11.584 1.00 0.00 H new ATOM 0 HB2 SER A 82 -4.337 9.058 13.257 1.00 0.00 H new ATOM 0 HB3 SER A 82 -4.072 9.647 11.628 1.00 0.00 H new ATOM 0 HG SER A 82 -5.618 7.915 11.696 1.00 0.00 H new ATOM 1218 N GLY A 83 -1.540 10.302 11.128 1.00 0.00 N ATOM 1219 CA GLY A 83 -0.793 11.529 10.907 1.00 0.00 C ATOM 1220 C GLY A 83 -1.214 12.197 9.596 1.00 0.00 C ATOM 1221 O GLY A 83 -1.633 11.524 8.657 1.00 0.00 O ATOM 0 H GLY A 83 -1.975 9.911 10.292 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -0.958 12.214 11.738 1.00 0.00 H new ATOM 0 HA3 GLY A 83 0.274 11.310 10.882 1.00 0.00 H new ATOM 1225 N PRO A 84 -1.084 13.551 9.574 1.00 0.00 N ATOM 1226 CA PRO A 84 -1.445 14.319 8.395 1.00 0.00 C ATOM 1227 C PRO A 84 -0.391 14.165 7.296 1.00 0.00 C ATOM 1228 O PRO A 84 0.771 13.882 7.582 1.00 0.00 O ATOM 1229 CB PRO A 84 -1.587 15.750 8.886 1.00 0.00 C ATOM 1230 CG PRO A 84 -0.851 15.811 10.214 1.00 0.00 C ATOM 1231 CD PRO A 84 -0.591 14.384 10.668 1.00 0.00 C ATOM 0 HA PRO A 84 -2.373 13.976 7.937 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -1.160 16.452 8.170 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -2.636 16.018 9.009 1.00 0.00 H new ATOM 0 HG2 PRO A 84 0.088 16.354 10.106 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -1.445 16.345 10.956 1.00 0.00 H new ATOM 0 HD2 PRO A 84 0.470 14.213 10.849 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -1.112 14.164 11.599 1.00 0.00 H new ATOM 1236 N SER A 85 -0.836 14.359 6.063 1.00 0.00 N ATOM 1237 CA SER A 85 0.055 14.245 4.920 1.00 0.00 C ATOM 1238 C SER A 85 -0.691 14.618 3.637 1.00 0.00 C ATOM 1239 O SER A 85 -1.897 14.403 3.532 1.00 0.00 O ATOM 1240 CB SER A 85 0.631 12.832 4.809 1.00 0.00 C ATOM 1241 OG SER A 85 -0.374 11.870 4.498 1.00 0.00 O ATOM 0 H SER A 85 -1.801 14.594 5.830 1.00 0.00 H new ATOM 0 HA SER A 85 0.886 14.935 5.063 1.00 0.00 H new ATOM 0 HB2 SER A 85 1.402 12.814 4.038 1.00 0.00 H new ATOM 0 HB3 SER A 85 1.113 12.562 5.748 1.00 0.00 H new ATOM 0 HG SER A 85 0.033 10.981 4.434 1.00 0.00 H new ATOM 1246 N SER A 86 0.059 15.169 2.694 1.00 0.00 N ATOM 1247 CA SER A 86 -0.516 15.573 1.422 1.00 0.00 C ATOM 1248 C SER A 86 -1.518 16.709 1.638 1.00 0.00 C ATOM 1249 O SER A 86 -2.435 16.587 2.449 1.00 0.00 O ATOM 1250 CB SER A 86 -1.194 14.393 0.725 1.00 0.00 C ATOM 1251 OG SER A 86 -1.564 14.706 -0.615 1.00 0.00 O ATOM 0 H SER A 86 1.060 15.345 2.785 1.00 0.00 H new ATOM 0 HA SER A 86 0.290 15.926 0.779 1.00 0.00 H new ATOM 0 HB2 SER A 86 -0.520 13.536 0.724 1.00 0.00 H new ATOM 0 HB3 SER A 86 -2.081 14.101 1.287 1.00 0.00 H new ATOM 0 HG SER A 86 -1.992 13.927 -1.027 1.00 0.00 H new ATOM 1256 N GLY A 87 -1.308 17.789 0.899 1.00 0.00 N ATOM 1257 CA GLY A 87 -2.181 18.946 1.000 1.00 0.00 C ATOM 1258 C GLY A 87 -3.520 18.684 0.309 1.00 0.00 C ATOM 1259 O GLY A 87 -4.111 19.593 -0.271 1.00 0.00 O ATOM 0 H GLY A 87 -0.546 17.887 0.228 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -2.350 19.188 2.049 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -1.697 19.812 0.547 1.00 0.00 H new TER 1263 GLY A 87