USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 670 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 25 GLN : amide:sc= -2.22 K(o=-5.2,f=-3.5) USER MOD Set 1.2: A 37 MET CE :methyl -115:sc= -3 (180deg=-2.4!) USER MOD Single : A 7 ASN : amide:sc= -2.28 K(o=-2.3,f=-7.9!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -151:sc= -0.15 (180deg=-0.89) USER MOD Single : A 19 SER OG : rot 74:sc= 1.13 USER MOD Single : A 23 ASN : amide:sc= -2.42 K(o=-2.4,f=-4!) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.099) USER MOD Single : A 28 ASN : amide:sc= -4.17! C(o=-4.2!,f=-10!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 101:sc= 1.17 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 TYR OH : rot 180:sc= -1.09 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot -63:sc= -2.03! USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= -1 K(o=-1,f=-0.41) USER MOD Single : A 61 GLN : amide:sc= -0.0462 X(o=-0.046,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0333) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 72 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 THR OG1 : rot -71:sc= 0.877 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00708) USER MOD Single : A 85 TYR OH : rot -142:sc= -1.12 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 63 N ALA A 6 -5.609 19.974 -6.026 1.00 0.00 N ATOM 64 CA ALA A 6 -4.374 19.848 -5.259 1.00 0.00 C ATOM 65 C ALA A 6 -4.400 18.610 -4.367 1.00 0.00 C ATOM 66 O ALA A 6 -3.412 17.880 -4.271 1.00 0.00 O ATOM 67 CB ALA A 6 -4.142 21.098 -4.425 1.00 0.00 C ATOM 0 HA ALA A 6 -3.550 19.735 -5.963 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -3.217 20.991 -3.858 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -4.066 21.965 -5.082 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -4.976 21.236 -3.737 1.00 0.00 H new ATOM 73 N ASN A 7 -5.537 18.371 -3.721 1.00 0.00 N ATOM 74 CA ASN A 7 -5.680 17.214 -2.848 1.00 0.00 C ATOM 75 C ASN A 7 -5.692 15.927 -3.664 1.00 0.00 C ATOM 76 O ASN A 7 -5.068 14.935 -3.286 1.00 0.00 O ATOM 77 CB ASN A 7 -6.958 17.321 -2.015 1.00 0.00 C ATOM 78 CG ASN A 7 -8.174 17.658 -2.853 1.00 0.00 C ATOM 79 OD1 ASN A 7 -8.558 16.902 -3.746 1.00 0.00 O ATOM 80 ND2 ASN A 7 -8.787 18.801 -2.568 1.00 0.00 N ATOM 0 H ASN A 7 -6.367 18.960 -3.786 1.00 0.00 H new ATOM 0 HA ASN A 7 -4.826 17.191 -2.172 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -7.129 16.378 -1.496 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -6.825 18.086 -1.250 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -9.611 19.084 -3.098 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -8.433 19.396 -1.819 1.00 0.00 H new ATOM 87 N LYS A 8 -6.401 15.948 -4.789 1.00 0.00 N ATOM 88 CA LYS A 8 -6.486 14.783 -5.662 1.00 0.00 C ATOM 89 C LYS A 8 -5.132 14.482 -6.295 1.00 0.00 C ATOM 90 O LYS A 8 -4.826 13.333 -6.612 1.00 0.00 O ATOM 91 CB LYS A 8 -7.534 15.012 -6.753 1.00 0.00 C ATOM 92 CG LYS A 8 -8.964 14.858 -6.263 1.00 0.00 C ATOM 93 CD LYS A 8 -9.316 13.400 -6.021 1.00 0.00 C ATOM 94 CE LYS A 8 -10.078 12.809 -7.196 1.00 0.00 C ATOM 95 NZ LYS A 8 -10.837 11.587 -6.809 1.00 0.00 N ATOM 0 H LYS A 8 -6.925 16.759 -5.117 1.00 0.00 H new ATOM 0 HA LYS A 8 -6.784 13.926 -5.058 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -7.405 16.013 -7.165 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.359 14.308 -7.567 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -9.096 15.423 -5.340 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -9.649 15.282 -6.997 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -8.404 12.827 -5.852 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -9.918 13.315 -5.116 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -10.768 13.554 -7.593 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -9.379 12.564 -7.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -11.343 11.215 -7.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -10.177 10.866 -6.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -11.522 11.825 -6.064 1.00 0.00 H new ATOM 109 N ASP A 9 -4.321 15.519 -6.472 1.00 0.00 N ATOM 110 CA ASP A 9 -2.999 15.352 -7.060 1.00 0.00 C ATOM 111 C ASP A 9 -2.054 14.708 -6.056 1.00 0.00 C ATOM 112 O ASP A 9 -1.289 13.806 -6.397 1.00 0.00 O ATOM 113 CB ASP A 9 -2.441 16.702 -7.519 1.00 0.00 C ATOM 114 CG ASP A 9 -1.413 16.556 -8.623 1.00 0.00 C ATOM 115 OD1 ASP A 9 -0.237 16.276 -8.306 1.00 0.00 O ATOM 116 OD2 ASP A 9 -1.782 16.724 -9.805 1.00 0.00 O ATOM 0 H ASP A 9 -4.555 16.479 -6.218 1.00 0.00 H new ATOM 0 HA ASP A 9 -3.087 14.700 -7.929 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -3.260 17.331 -7.869 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -1.988 17.213 -6.669 1.00 0.00 H new ATOM 121 N LEU A 10 -2.124 15.167 -4.810 1.00 0.00 N ATOM 122 CA LEU A 10 -1.283 14.620 -3.755 1.00 0.00 C ATOM 123 C LEU A 10 -1.580 13.136 -3.567 1.00 0.00 C ATOM 124 O LEU A 10 -0.667 12.301 -3.530 1.00 0.00 O ATOM 125 CB LEU A 10 -1.516 15.374 -2.443 1.00 0.00 C ATOM 126 CG LEU A 10 -0.547 15.020 -1.313 1.00 0.00 C ATOM 127 CD1 LEU A 10 0.580 16.036 -1.238 1.00 0.00 C ATOM 128 CD2 LEU A 10 -1.284 14.937 0.015 1.00 0.00 C ATOM 0 H LEU A 10 -2.752 15.913 -4.509 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.239 14.738 -4.044 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.447 16.444 -2.639 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.533 15.177 -2.104 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.113 14.043 -1.525 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.259 15.767 -0.429 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.126 16.044 -2.181 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.165 17.026 -1.050 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.579 14.684 0.807 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.747 15.899 0.235 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -2.054 14.168 -0.044 1.00 0.00 H new ATOM 140 N ILE A 11 -2.865 12.804 -3.475 1.00 0.00 N ATOM 141 CA ILE A 11 -3.268 11.417 -3.318 1.00 0.00 C ATOM 142 C ILE A 11 -2.815 10.611 -4.530 1.00 0.00 C ATOM 143 O ILE A 11 -2.161 9.579 -4.387 1.00 0.00 O ATOM 144 CB ILE A 11 -4.797 11.278 -3.093 1.00 0.00 C ATOM 145 CG1 ILE A 11 -5.090 10.066 -2.206 1.00 0.00 C ATOM 146 CG2 ILE A 11 -5.567 11.175 -4.404 1.00 0.00 C ATOM 147 CD1 ILE A 11 -6.518 10.010 -1.714 1.00 0.00 C ATOM 0 H ILE A 11 -3.635 13.472 -3.506 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.784 11.021 -2.425 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.137 12.184 -2.592 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.870 9.156 -2.764 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.419 10.083 -1.347 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -6.632 11.079 -4.194 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.394 12.072 -4.999 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.227 10.300 -4.958 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -6.654 9.126 -1.092 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.736 10.903 -1.128 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.195 9.961 -2.567 1.00 0.00 H new ATOM 159 N SER A 12 -3.150 11.095 -5.726 1.00 0.00 N ATOM 160 CA SER A 12 -2.756 10.422 -6.957 1.00 0.00 C ATOM 161 C SER A 12 -1.246 10.234 -6.998 1.00 0.00 C ATOM 162 O SER A 12 -0.750 9.261 -7.549 1.00 0.00 O ATOM 163 CB SER A 12 -3.219 11.224 -8.175 1.00 0.00 C ATOM 164 OG SER A 12 -3.287 10.404 -9.329 1.00 0.00 O ATOM 0 H SER A 12 -3.692 11.948 -5.865 1.00 0.00 H new ATOM 0 HA SER A 12 -3.232 9.442 -6.982 1.00 0.00 H new ATOM 0 HB2 SER A 12 -4.198 11.660 -7.977 1.00 0.00 H new ATOM 0 HB3 SER A 12 -2.532 12.051 -8.353 1.00 0.00 H new ATOM 0 HG SER A 12 -3.587 10.939 -10.093 1.00 0.00 H new ATOM 170 N ALA A 13 -0.522 11.183 -6.417 1.00 0.00 N ATOM 171 CA ALA A 13 0.934 11.114 -6.391 1.00 0.00 C ATOM 172 C ALA A 13 1.397 9.954 -5.519 1.00 0.00 C ATOM 173 O ALA A 13 2.335 9.235 -5.872 1.00 0.00 O ATOM 174 CB ALA A 13 1.531 12.428 -5.911 1.00 0.00 C ATOM 0 H ALA A 13 -0.916 12.005 -5.960 1.00 0.00 H new ATOM 0 HA ALA A 13 1.287 10.939 -7.407 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.618 12.351 -5.900 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.230 13.231 -6.584 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.173 12.644 -4.905 1.00 0.00 H new ATOM 180 N GLY A 14 0.694 9.731 -4.415 1.00 0.00 N ATOM 181 CA GLY A 14 1.024 8.600 -3.565 1.00 0.00 C ATOM 182 C GLY A 14 0.632 7.324 -4.274 1.00 0.00 C ATOM 183 O GLY A 14 1.382 6.352 -4.322 1.00 0.00 O ATOM 0 H GLY A 14 -0.088 10.303 -4.095 1.00 0.00 H new ATOM 0 HA2 GLY A 14 2.091 8.595 -3.342 1.00 0.00 H new ATOM 0 HA3 GLY A 14 0.500 8.678 -2.613 1.00 0.00 H new ATOM 187 N LEU A 15 -0.572 7.367 -4.828 1.00 0.00 N ATOM 188 CA LEU A 15 -1.128 6.242 -5.564 1.00 0.00 C ATOM 189 C LEU A 15 -0.159 5.816 -6.663 1.00 0.00 C ATOM 190 O LEU A 15 0.276 4.666 -6.708 1.00 0.00 O ATOM 191 CB LEU A 15 -2.487 6.614 -6.162 1.00 0.00 C ATOM 192 CG LEU A 15 -3.698 6.189 -5.332 1.00 0.00 C ATOM 193 CD1 LEU A 15 -3.767 4.673 -5.223 1.00 0.00 C ATOM 194 CD2 LEU A 15 -3.644 6.823 -3.949 1.00 0.00 C ATOM 0 H LEU A 15 -1.188 8.179 -4.780 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.275 5.407 -4.879 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.522 7.695 -6.301 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.567 6.163 -7.151 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.600 6.537 -5.836 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.636 4.390 -4.628 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.853 4.240 -6.220 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.862 4.301 -4.743 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.514 6.510 -3.371 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.735 6.505 -3.438 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.645 7.909 -4.046 1.00 0.00 H new ATOM 206 N LYS A 16 0.183 6.752 -7.537 1.00 0.00 N ATOM 207 CA LYS A 16 1.112 6.483 -8.628 1.00 0.00 C ATOM 208 C LYS A 16 2.475 6.072 -8.076 1.00 0.00 C ATOM 209 O LYS A 16 3.206 5.301 -8.697 1.00 0.00 O ATOM 210 CB LYS A 16 1.247 7.722 -9.523 1.00 0.00 C ATOM 211 CG LYS A 16 2.224 8.766 -9.000 1.00 0.00 C ATOM 212 CD LYS A 16 2.364 9.930 -9.967 1.00 0.00 C ATOM 213 CE LYS A 16 3.505 9.706 -10.946 1.00 0.00 C ATOM 214 NZ LYS A 16 4.813 9.566 -10.251 1.00 0.00 N ATOM 0 H LYS A 16 -0.170 7.709 -7.512 1.00 0.00 H new ATOM 0 HA LYS A 16 0.721 5.661 -9.227 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.567 7.406 -10.516 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.266 8.183 -9.636 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.882 9.134 -8.033 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.199 8.306 -8.839 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.432 10.062 -10.517 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.538 10.850 -9.408 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.308 8.809 -11.534 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.553 10.541 -11.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.575 9.899 -10.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.806 10.134 -9.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.974 8.567 -10.012 1.00 0.00 H new ATOM 228 N GLU A 17 2.799 6.593 -6.898 1.00 0.00 N ATOM 229 CA GLU A 17 4.067 6.284 -6.248 1.00 0.00 C ATOM 230 C GLU A 17 4.096 4.827 -5.794 1.00 0.00 C ATOM 231 O GLU A 17 5.082 4.117 -6.006 1.00 0.00 O ATOM 232 CB GLU A 17 4.295 7.213 -5.054 1.00 0.00 C ATOM 233 CG GLU A 17 5.141 8.432 -5.387 1.00 0.00 C ATOM 234 CD GLU A 17 6.596 8.082 -5.630 1.00 0.00 C ATOM 235 OE1 GLU A 17 7.359 7.998 -4.645 1.00 0.00 O ATOM 236 OE2 GLU A 17 6.971 7.892 -6.806 1.00 0.00 O ATOM 0 H GLU A 17 2.201 7.231 -6.374 1.00 0.00 H new ATOM 0 HA GLU A 17 4.869 6.439 -6.970 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.329 7.544 -4.672 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.779 6.652 -4.254 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.736 8.920 -6.273 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.075 9.150 -4.569 1.00 0.00 H new ATOM 243 N PHE A 18 3.004 4.386 -5.182 1.00 0.00 N ATOM 244 CA PHE A 18 2.896 3.013 -4.709 1.00 0.00 C ATOM 245 C PHE A 18 2.709 2.056 -5.882 1.00 0.00 C ATOM 246 O PHE A 18 3.274 0.965 -5.903 1.00 0.00 O ATOM 247 CB PHE A 18 1.731 2.875 -3.723 1.00 0.00 C ATOM 248 CG PHE A 18 1.755 1.607 -2.906 1.00 0.00 C ATOM 249 CD1 PHE A 18 2.885 0.798 -2.859 1.00 0.00 C ATOM 250 CD2 PHE A 18 0.637 1.224 -2.180 1.00 0.00 C ATOM 251 CE1 PHE A 18 2.896 -0.361 -2.106 1.00 0.00 C ATOM 252 CE2 PHE A 18 0.645 0.065 -1.425 1.00 0.00 C ATOM 253 CZ PHE A 18 1.774 -0.727 -1.389 1.00 0.00 C ATOM 0 H PHE A 18 2.180 4.960 -5.002 1.00 0.00 H new ATOM 0 HA PHE A 18 3.821 2.755 -4.194 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.740 3.729 -3.046 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.794 2.918 -4.278 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.765 1.079 -3.418 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.251 1.838 -2.204 1.00 0.00 H new ATOM 0 HE1 PHE A 18 3.781 -0.980 -2.078 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.233 -0.220 -0.864 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.780 -1.633 -0.801 1.00 0.00 H new ATOM 263 N SER A 19 1.915 2.482 -6.860 1.00 0.00 N ATOM 264 CA SER A 19 1.655 1.670 -8.043 1.00 0.00 C ATOM 265 C SER A 19 2.955 1.378 -8.781 1.00 0.00 C ATOM 266 O SER A 19 3.268 0.226 -9.079 1.00 0.00 O ATOM 267 CB SER A 19 0.672 2.382 -8.974 1.00 0.00 C ATOM 268 OG SER A 19 -0.568 2.610 -8.329 1.00 0.00 O ATOM 0 H SER A 19 1.441 3.385 -6.856 1.00 0.00 H new ATOM 0 HA SER A 19 1.213 0.727 -7.723 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.097 3.332 -9.298 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.514 1.781 -9.870 1.00 0.00 H new ATOM 0 HG SER A 19 -0.471 3.339 -7.681 1.00 0.00 H new ATOM 274 N VAL A 20 3.716 2.431 -9.063 1.00 0.00 N ATOM 275 CA VAL A 20 4.989 2.285 -9.753 1.00 0.00 C ATOM 276 C VAL A 20 5.952 1.453 -8.916 1.00 0.00 C ATOM 277 O VAL A 20 6.658 0.588 -9.435 1.00 0.00 O ATOM 278 CB VAL A 20 5.628 3.656 -10.059 1.00 0.00 C ATOM 279 CG1 VAL A 20 6.945 3.483 -10.802 1.00 0.00 C ATOM 280 CG2 VAL A 20 4.668 4.527 -10.857 1.00 0.00 C ATOM 0 H VAL A 20 3.472 3.392 -8.824 1.00 0.00 H new ATOM 0 HA VAL A 20 4.793 1.778 -10.698 1.00 0.00 H new ATOM 0 HB VAL A 20 5.837 4.156 -9.113 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.378 4.462 -11.008 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.635 2.902 -10.189 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.767 2.961 -11.742 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.136 5.490 -11.063 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.425 4.033 -11.798 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.755 4.683 -10.282 1.00 0.00 H new ATOM 290 N LEU A 21 5.968 1.716 -7.613 1.00 0.00 N ATOM 291 CA LEU A 21 6.834 0.988 -6.696 1.00 0.00 C ATOM 292 C LEU A 21 6.470 -0.496 -6.675 1.00 0.00 C ATOM 293 O LEU A 21 7.344 -1.361 -6.641 1.00 0.00 O ATOM 294 CB LEU A 21 6.719 1.579 -5.287 1.00 0.00 C ATOM 295 CG LEU A 21 7.465 0.814 -4.192 1.00 0.00 C ATOM 296 CD1 LEU A 21 8.928 1.228 -4.153 1.00 0.00 C ATOM 297 CD2 LEU A 21 6.806 1.050 -2.841 1.00 0.00 C ATOM 0 H LEU A 21 5.390 2.429 -7.169 1.00 0.00 H new ATOM 0 HA LEU A 21 7.864 1.085 -7.040 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.091 2.603 -5.309 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.664 1.629 -5.017 1.00 0.00 H new ATOM 0 HG LEU A 21 7.418 -0.251 -4.419 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.442 0.673 -3.368 1.00 0.00 H new ATOM 0 HD12 LEU A 21 9.393 1.012 -5.115 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.998 2.296 -3.948 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.347 0.500 -2.071 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.826 2.115 -2.608 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.773 0.705 -2.875 1.00 0.00 H new ATOM 309 N LEU A 22 5.171 -0.776 -6.690 1.00 0.00 N ATOM 310 CA LEU A 22 4.679 -2.150 -6.667 1.00 0.00 C ATOM 311 C LEU A 22 5.043 -2.894 -7.950 1.00 0.00 C ATOM 312 O LEU A 22 5.559 -4.011 -7.905 1.00 0.00 O ATOM 313 CB LEU A 22 3.161 -2.164 -6.475 1.00 0.00 C ATOM 314 CG LEU A 22 2.668 -1.642 -5.123 1.00 0.00 C ATOM 315 CD1 LEU A 22 1.334 -0.922 -5.277 1.00 0.00 C ATOM 316 CD2 LEU A 22 2.546 -2.783 -4.124 1.00 0.00 C ATOM 0 H LEU A 22 4.438 -0.068 -6.718 1.00 0.00 H new ATOM 0 HA LEU A 22 5.156 -2.660 -5.830 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.706 -1.566 -7.265 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.804 -3.186 -6.603 1.00 0.00 H new ATOM 0 HG LEU A 22 3.400 -0.928 -4.745 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.002 -0.559 -4.304 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.452 -0.079 -5.958 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.592 -1.612 -5.679 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.194 -2.394 -3.168 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.836 -3.520 -4.499 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.520 -3.253 -3.988 1.00 0.00 H new ATOM 328 N ASN A 23 4.761 -2.276 -9.092 1.00 0.00 N ATOM 329 CA ASN A 23 5.049 -2.890 -10.386 1.00 0.00 C ATOM 330 C ASN A 23 6.555 -2.988 -10.642 1.00 0.00 C ATOM 331 O ASN A 23 6.993 -3.729 -11.521 1.00 0.00 O ATOM 332 CB ASN A 23 4.355 -2.106 -11.512 1.00 0.00 C ATOM 333 CG ASN A 23 5.274 -1.128 -12.224 1.00 0.00 C ATOM 334 OD1 ASN A 23 5.221 0.077 -11.984 1.00 0.00 O ATOM 335 ND2 ASN A 23 6.121 -1.645 -13.108 1.00 0.00 N ATOM 0 H ASN A 23 4.334 -1.352 -9.149 1.00 0.00 H new ATOM 0 HA ASN A 23 4.655 -3.906 -10.370 1.00 0.00 H new ATOM 0 HB2 ASN A 23 3.953 -2.810 -12.240 1.00 0.00 H new ATOM 0 HB3 ASN A 23 3.509 -1.560 -11.096 1.00 0.00 H new ATOM 0 HD21 ASN A 23 6.761 -1.036 -13.618 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.131 -2.651 -13.276 1.00 0.00 H new ATOM 342 N GLN A 24 7.342 -2.235 -9.876 1.00 0.00 N ATOM 343 CA GLN A 24 8.793 -2.244 -10.035 1.00 0.00 C ATOM 344 C GLN A 24 9.441 -3.390 -9.257 1.00 0.00 C ATOM 345 O GLN A 24 10.662 -3.429 -9.103 1.00 0.00 O ATOM 346 CB GLN A 24 9.382 -0.909 -9.573 1.00 0.00 C ATOM 347 CG GLN A 24 9.574 0.094 -10.699 1.00 0.00 C ATOM 348 CD GLN A 24 10.372 1.308 -10.266 1.00 0.00 C ATOM 349 OE1 GLN A 24 9.967 2.043 -9.364 1.00 0.00 O ATOM 350 NE2 GLN A 24 11.513 1.526 -10.908 1.00 0.00 N ATOM 0 H GLN A 24 7.000 -1.614 -9.143 1.00 0.00 H new ATOM 0 HA GLN A 24 9.006 -2.392 -11.094 1.00 0.00 H new ATOM 0 HB2 GLN A 24 8.727 -0.474 -8.818 1.00 0.00 H new ATOM 0 HB3 GLN A 24 10.343 -1.092 -9.093 1.00 0.00 H new ATOM 0 HG2 GLN A 24 10.082 -0.392 -11.532 1.00 0.00 H new ATOM 0 HG3 GLN A 24 8.599 0.416 -11.065 1.00 0.00 H new ATOM 0 HE21 GLN A 24 11.810 0.891 -11.649 1.00 0.00 H new ATOM 0 HE22 GLN A 24 12.092 2.328 -10.660 1.00 0.00 H new ATOM 359 N GLN A 25 8.626 -4.318 -8.761 1.00 0.00 N ATOM 360 CA GLN A 25 9.139 -5.451 -7.997 1.00 0.00 C ATOM 361 C GLN A 25 9.151 -6.721 -8.843 1.00 0.00 C ATOM 362 O GLN A 25 8.098 -7.250 -9.201 1.00 0.00 O ATOM 363 CB GLN A 25 8.292 -5.671 -6.742 1.00 0.00 C ATOM 364 CG GLN A 25 7.877 -4.382 -6.051 1.00 0.00 C ATOM 365 CD GLN A 25 8.563 -4.185 -4.716 1.00 0.00 C ATOM 366 OE1 GLN A 25 9.792 -4.153 -4.633 1.00 0.00 O ATOM 367 NE2 GLN A 25 7.771 -4.052 -3.660 1.00 0.00 N ATOM 0 H GLN A 25 7.612 -4.308 -8.874 1.00 0.00 H new ATOM 0 HA GLN A 25 10.163 -5.223 -7.703 1.00 0.00 H new ATOM 0 HB2 GLN A 25 7.398 -6.232 -7.012 1.00 0.00 H new ATOM 0 HB3 GLN A 25 8.854 -6.285 -6.038 1.00 0.00 H new ATOM 0 HG2 GLN A 25 8.106 -3.537 -6.700 1.00 0.00 H new ATOM 0 HG3 GLN A 25 6.797 -4.386 -5.902 1.00 0.00 H new ATOM 0 HE21 GLN A 25 6.758 -4.085 -3.775 1.00 0.00 H new ATOM 0 HE22 GLN A 25 8.175 -3.917 -2.733 1.00 0.00 H new ATOM 376 N VAL A 26 10.348 -7.208 -9.155 1.00 0.00 N ATOM 377 CA VAL A 26 10.498 -8.419 -9.954 1.00 0.00 C ATOM 378 C VAL A 26 9.993 -9.641 -9.191 1.00 0.00 C ATOM 379 O VAL A 26 10.031 -9.672 -7.961 1.00 0.00 O ATOM 380 CB VAL A 26 11.969 -8.647 -10.358 1.00 0.00 C ATOM 381 CG1 VAL A 26 12.848 -8.787 -9.123 1.00 0.00 C ATOM 382 CG2 VAL A 26 12.099 -9.869 -11.255 1.00 0.00 C ATOM 0 H VAL A 26 11.229 -6.782 -8.866 1.00 0.00 H new ATOM 0 HA VAL A 26 9.901 -8.284 -10.856 1.00 0.00 H new ATOM 0 HB VAL A 26 12.308 -7.777 -10.921 1.00 0.00 H new ATOM 0 HG11 VAL A 26 13.882 -8.947 -9.429 1.00 0.00 H new ATOM 0 HG12 VAL A 26 12.783 -7.878 -8.525 1.00 0.00 H new ATOM 0 HG13 VAL A 26 12.509 -9.636 -8.530 1.00 0.00 H new ATOM 0 HG21 VAL A 26 13.145 -10.011 -11.528 1.00 0.00 H new ATOM 0 HG22 VAL A 26 11.740 -10.750 -10.724 1.00 0.00 H new ATOM 0 HG23 VAL A 26 11.505 -9.723 -12.157 1.00 0.00 H new ATOM 392 N PHE A 27 9.550 -10.658 -9.925 1.00 0.00 N ATOM 393 CA PHE A 27 9.075 -11.888 -9.305 1.00 0.00 C ATOM 394 C PHE A 27 9.659 -13.111 -10.006 1.00 0.00 C ATOM 395 O PHE A 27 9.025 -13.711 -10.874 1.00 0.00 O ATOM 396 CB PHE A 27 7.548 -11.938 -9.308 1.00 0.00 C ATOM 397 CG PHE A 27 6.920 -10.892 -8.430 1.00 0.00 C ATOM 398 CD1 PHE A 27 7.402 -10.668 -7.150 1.00 0.00 C ATOM 399 CD2 PHE A 27 5.855 -10.130 -8.884 1.00 0.00 C ATOM 400 CE1 PHE A 27 6.835 -9.703 -6.339 1.00 0.00 C ATOM 401 CE2 PHE A 27 5.282 -9.165 -8.077 1.00 0.00 C ATOM 402 CZ PHE A 27 5.773 -8.951 -6.802 1.00 0.00 C ATOM 0 H PHE A 27 9.511 -10.654 -10.944 1.00 0.00 H new ATOM 0 HA PHE A 27 9.414 -11.900 -8.269 1.00 0.00 H new ATOM 0 HB2 PHE A 27 7.189 -11.810 -10.329 1.00 0.00 H new ATOM 0 HB3 PHE A 27 7.222 -12.924 -8.977 1.00 0.00 H new ATOM 0 HD1 PHE A 27 8.231 -11.255 -6.782 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.468 -10.292 -9.879 1.00 0.00 H new ATOM 0 HE1 PHE A 27 7.222 -9.537 -5.344 1.00 0.00 H new ATOM 0 HE2 PHE A 27 4.452 -8.579 -8.442 1.00 0.00 H new ATOM 0 HZ PHE A 27 5.327 -8.198 -6.170 1.00 0.00 H new ATOM 412 N ASN A 28 10.870 -13.474 -9.603 1.00 0.00 N ATOM 413 CA ASN A 28 11.586 -14.626 -10.151 1.00 0.00 C ATOM 414 C ASN A 28 12.729 -14.974 -9.210 1.00 0.00 C ATOM 415 O ASN A 28 12.945 -16.132 -8.854 1.00 0.00 O ATOM 416 CB ASN A 28 12.148 -14.326 -11.548 1.00 0.00 C ATOM 417 CG ASN A 28 11.187 -13.549 -12.426 1.00 0.00 C ATOM 418 OD1 ASN A 28 11.019 -12.341 -12.263 1.00 0.00 O ATOM 419 ND2 ASN A 28 10.551 -14.240 -13.363 1.00 0.00 N ATOM 0 H ASN A 28 11.390 -12.975 -8.881 1.00 0.00 H new ATOM 0 HA ASN A 28 10.891 -15.460 -10.243 1.00 0.00 H new ATOM 0 HB2 ASN A 28 13.074 -13.761 -11.446 1.00 0.00 H new ATOM 0 HB3 ASN A 28 12.401 -15.265 -12.040 1.00 0.00 H new ATOM 0 HD21 ASN A 28 9.892 -13.770 -13.984 1.00 0.00 H new ATOM 0 HD22 ASN A 28 10.721 -15.241 -13.462 1.00 0.00 H new ATOM 426 N ASP A 29 13.443 -13.930 -8.810 1.00 0.00 N ATOM 427 CA ASP A 29 14.564 -14.072 -7.894 1.00 0.00 C ATOM 428 C ASP A 29 14.046 -14.182 -6.462 1.00 0.00 C ATOM 429 O ASP A 29 13.087 -13.507 -6.087 1.00 0.00 O ATOM 430 CB ASP A 29 15.554 -12.899 -8.012 1.00 0.00 C ATOM 431 CG ASP A 29 14.975 -11.677 -8.704 1.00 0.00 C ATOM 432 OD1 ASP A 29 13.760 -11.428 -8.556 1.00 0.00 O ATOM 433 OD2 ASP A 29 15.738 -10.966 -9.391 1.00 0.00 O ATOM 0 H ASP A 29 13.263 -12.971 -9.108 1.00 0.00 H new ATOM 0 HA ASP A 29 15.103 -14.981 -8.161 1.00 0.00 H new ATOM 0 HB2 ASP A 29 15.888 -12.616 -7.014 1.00 0.00 H new ATOM 0 HB3 ASP A 29 16.435 -13.233 -8.560 1.00 0.00 H new ATOM 438 N PRO A 30 14.662 -15.053 -5.646 1.00 0.00 N ATOM 439 CA PRO A 30 14.251 -15.271 -4.253 1.00 0.00 C ATOM 440 C PRO A 30 14.038 -13.981 -3.465 1.00 0.00 C ATOM 441 O PRO A 30 13.398 -14.004 -2.414 1.00 0.00 O ATOM 442 CB PRO A 30 15.421 -16.060 -3.667 1.00 0.00 C ATOM 443 CG PRO A 30 15.987 -16.804 -4.825 1.00 0.00 C ATOM 444 CD PRO A 30 15.804 -15.912 -6.022 1.00 0.00 C ATOM 0 HA PRO A 30 13.288 -15.778 -4.201 1.00 0.00 H new ATOM 0 HB2 PRO A 30 16.162 -15.397 -3.220 1.00 0.00 H new ATOM 0 HB3 PRO A 30 15.088 -16.740 -2.883 1.00 0.00 H new ATOM 0 HG2 PRO A 30 17.041 -17.031 -4.665 1.00 0.00 H new ATOM 0 HG3 PRO A 30 15.474 -17.755 -4.966 1.00 0.00 H new ATOM 0 HD2 PRO A 30 16.699 -15.323 -6.223 1.00 0.00 H new ATOM 0 HD3 PRO A 30 15.592 -16.488 -6.923 1.00 0.00 H new ATOM 452 N LEU A 31 14.540 -12.859 -3.992 1.00 0.00 N ATOM 453 CA LEU A 31 14.390 -11.539 -3.361 1.00 0.00 C ATOM 454 C LEU A 31 14.321 -11.605 -1.831 1.00 0.00 C ATOM 455 O LEU A 31 14.515 -12.655 -1.222 1.00 0.00 O ATOM 456 CB LEU A 31 13.134 -10.849 -3.903 1.00 0.00 C ATOM 457 CG LEU A 31 13.358 -9.923 -5.104 1.00 0.00 C ATOM 458 CD1 LEU A 31 14.406 -10.497 -6.043 1.00 0.00 C ATOM 459 CD2 LEU A 31 12.050 -9.693 -5.845 1.00 0.00 C ATOM 0 H LEU A 31 15.062 -12.838 -4.868 1.00 0.00 H new ATOM 0 HA LEU A 31 15.282 -10.966 -3.613 1.00 0.00 H new ATOM 0 HB2 LEU A 31 12.413 -11.616 -4.187 1.00 0.00 H new ATOM 0 HB3 LEU A 31 12.683 -10.269 -3.098 1.00 0.00 H new ATOM 0 HG LEU A 31 13.723 -8.965 -4.733 1.00 0.00 H new ATOM 0 HD11 LEU A 31 14.547 -9.822 -6.887 1.00 0.00 H new ATOM 0 HD12 LEU A 31 15.349 -10.612 -5.509 1.00 0.00 H new ATOM 0 HD13 LEU A 31 14.074 -11.469 -6.408 1.00 0.00 H new ATOM 0 HD21 LEU A 31 12.225 -9.034 -6.695 1.00 0.00 H new ATOM 0 HD22 LEU A 31 11.660 -10.647 -6.200 1.00 0.00 H new ATOM 0 HD23 LEU A 31 11.326 -9.233 -5.172 1.00 0.00 H new ATOM 471 N VAL A 32 14.075 -10.455 -1.212 1.00 0.00 N ATOM 472 CA VAL A 32 14.002 -10.364 0.245 1.00 0.00 C ATOM 473 C VAL A 32 12.904 -11.276 0.801 1.00 0.00 C ATOM 474 O VAL A 32 11.977 -11.660 0.086 1.00 0.00 O ATOM 475 CB VAL A 32 13.776 -8.892 0.724 1.00 0.00 C ATOM 476 CG1 VAL A 32 13.282 -7.999 -0.407 1.00 0.00 C ATOM 477 CG2 VAL A 32 12.810 -8.819 1.896 1.00 0.00 C ATOM 0 H VAL A 32 13.922 -9.570 -1.696 1.00 0.00 H new ATOM 0 HA VAL A 32 14.964 -10.700 0.633 1.00 0.00 H new ATOM 0 HB VAL A 32 14.748 -8.526 1.055 1.00 0.00 H new ATOM 0 HG11 VAL A 32 13.137 -6.985 -0.033 1.00 0.00 H new ATOM 0 HG12 VAL A 32 14.019 -7.988 -1.210 1.00 0.00 H new ATOM 0 HG13 VAL A 32 12.336 -8.384 -0.788 1.00 0.00 H new ATOM 0 HG21 VAL A 32 12.681 -7.779 2.197 1.00 0.00 H new ATOM 0 HG22 VAL A 32 11.846 -9.233 1.599 1.00 0.00 H new ATOM 0 HG23 VAL A 32 13.209 -9.392 2.733 1.00 0.00 H new ATOM 487 N SER A 33 13.027 -11.614 2.082 1.00 0.00 N ATOM 488 CA SER A 33 12.062 -12.480 2.753 1.00 0.00 C ATOM 489 C SER A 33 10.724 -11.769 2.950 1.00 0.00 C ATOM 490 O SER A 33 10.630 -10.550 2.811 1.00 0.00 O ATOM 491 CB SER A 33 12.612 -12.939 4.104 1.00 0.00 C ATOM 492 OG SER A 33 12.516 -14.347 4.244 1.00 0.00 O ATOM 0 H SER A 33 13.791 -11.299 2.679 1.00 0.00 H new ATOM 0 HA SER A 33 11.896 -13.350 2.118 1.00 0.00 H new ATOM 0 HB2 SER A 33 13.653 -12.631 4.199 1.00 0.00 H new ATOM 0 HB3 SER A 33 12.061 -12.452 4.909 1.00 0.00 H new ATOM 0 HG SER A 33 12.876 -14.614 5.115 1.00 0.00 H new ATOM 498 N GLU A 34 9.689 -12.544 3.264 1.00 0.00 N ATOM 499 CA GLU A 34 8.351 -11.997 3.472 1.00 0.00 C ATOM 500 C GLU A 34 8.305 -11.059 4.674 1.00 0.00 C ATOM 501 O GLU A 34 7.644 -10.025 4.635 1.00 0.00 O ATOM 502 CB GLU A 34 7.340 -13.132 3.656 1.00 0.00 C ATOM 503 CG GLU A 34 6.495 -13.400 2.421 1.00 0.00 C ATOM 504 CD GLU A 34 5.226 -14.168 2.740 1.00 0.00 C ATOM 505 OE1 GLU A 34 4.267 -13.547 3.244 1.00 0.00 O ATOM 506 OE2 GLU A 34 5.192 -15.390 2.484 1.00 0.00 O ATOM 0 H GLU A 34 9.752 -13.555 3.380 1.00 0.00 H new ATOM 0 HA GLU A 34 8.090 -11.418 2.586 1.00 0.00 H new ATOM 0 HB2 GLU A 34 7.874 -14.043 3.925 1.00 0.00 H new ATOM 0 HB3 GLU A 34 6.682 -12.890 4.491 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.233 -12.452 1.951 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.084 -13.963 1.697 1.00 0.00 H new ATOM 513 N GLU A 35 8.999 -11.428 5.742 1.00 0.00 N ATOM 514 CA GLU A 35 9.023 -10.615 6.957 1.00 0.00 C ATOM 515 C GLU A 35 9.751 -9.294 6.721 1.00 0.00 C ATOM 516 O GLU A 35 9.345 -8.253 7.237 1.00 0.00 O ATOM 517 CB GLU A 35 9.692 -11.383 8.098 1.00 0.00 C ATOM 518 CG GLU A 35 9.523 -10.721 9.456 1.00 0.00 C ATOM 519 CD GLU A 35 9.542 -11.719 10.597 1.00 0.00 C ATOM 520 OE1 GLU A 35 10.547 -12.450 10.730 1.00 0.00 O ATOM 521 OE2 GLU A 35 8.553 -11.771 11.357 1.00 0.00 O ATOM 0 H GLU A 35 9.553 -12.283 5.795 1.00 0.00 H new ATOM 0 HA GLU A 35 7.992 -10.393 7.232 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.277 -12.390 8.140 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.756 -11.485 7.882 1.00 0.00 H new ATOM 0 HG2 GLU A 35 10.320 -9.992 9.602 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.582 -10.172 9.474 1.00 0.00 H new ATOM 528 N ASP A 36 10.814 -9.338 5.927 1.00 0.00 N ATOM 529 CA ASP A 36 11.576 -8.135 5.619 1.00 0.00 C ATOM 530 C ASP A 36 10.810 -7.279 4.619 1.00 0.00 C ATOM 531 O ASP A 36 10.665 -6.070 4.800 1.00 0.00 O ATOM 532 CB ASP A 36 12.958 -8.497 5.075 1.00 0.00 C ATOM 533 CG ASP A 36 14.040 -8.389 6.132 1.00 0.00 C ATOM 534 OD1 ASP A 36 14.107 -7.340 6.807 1.00 0.00 O ATOM 535 OD2 ASP A 36 14.819 -9.352 6.284 1.00 0.00 O ATOM 0 H ASP A 36 11.166 -10.188 5.487 1.00 0.00 H new ATOM 0 HA ASP A 36 11.716 -7.562 6.536 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.937 -9.514 4.683 1.00 0.00 H new ATOM 0 HB3 ASP A 36 13.201 -7.839 4.241 1.00 0.00 H new ATOM 540 N MET A 37 10.298 -7.923 3.575 1.00 0.00 N ATOM 541 CA MET A 37 9.523 -7.218 2.563 1.00 0.00 C ATOM 542 C MET A 37 8.296 -6.599 3.222 1.00 0.00 C ATOM 543 O MET A 37 8.018 -5.410 3.064 1.00 0.00 O ATOM 544 CB MET A 37 9.097 -8.177 1.449 1.00 0.00 C ATOM 545 CG MET A 37 8.528 -7.478 0.226 1.00 0.00 C ATOM 546 SD MET A 37 9.690 -7.430 -1.150 1.00 0.00 S ATOM 547 CE MET A 37 8.897 -6.229 -2.215 1.00 0.00 C ATOM 0 H MET A 37 10.405 -8.924 3.409 1.00 0.00 H new ATOM 0 HA MET A 37 10.136 -6.434 2.119 1.00 0.00 H new ATOM 0 HB2 MET A 37 9.957 -8.775 1.148 1.00 0.00 H new ATOM 0 HB3 MET A 37 8.351 -8.868 1.842 1.00 0.00 H new ATOM 0 HG2 MET A 37 7.618 -7.989 -0.089 1.00 0.00 H new ATOM 0 HG3 MET A 37 8.245 -6.460 0.493 1.00 0.00 H new ATOM 0 HE1 MET A 37 8.587 -6.713 -3.141 1.00 0.00 H new ATOM 0 HE2 MET A 37 8.023 -5.816 -1.711 1.00 0.00 H new ATOM 0 HE3 MET A 37 9.598 -5.426 -2.442 1.00 0.00 H new ATOM 557 N VAL A 38 7.570 -7.426 3.968 1.00 0.00 N ATOM 558 CA VAL A 38 6.373 -6.994 4.670 1.00 0.00 C ATOM 559 C VAL A 38 6.684 -5.804 5.569 1.00 0.00 C ATOM 560 O VAL A 38 5.927 -4.838 5.608 1.00 0.00 O ATOM 561 CB VAL A 38 5.787 -8.154 5.511 1.00 0.00 C ATOM 562 CG1 VAL A 38 4.872 -7.645 6.617 1.00 0.00 C ATOM 563 CG2 VAL A 38 5.050 -9.138 4.616 1.00 0.00 C ATOM 0 H VAL A 38 7.797 -8.412 4.101 1.00 0.00 H new ATOM 0 HA VAL A 38 5.633 -6.691 3.929 1.00 0.00 H new ATOM 0 HB VAL A 38 6.620 -8.669 5.989 1.00 0.00 H new ATOM 0 HG11 VAL A 38 4.481 -8.490 7.184 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.435 -6.991 7.283 1.00 0.00 H new ATOM 0 HG13 VAL A 38 4.044 -7.089 6.177 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.644 -9.948 5.222 1.00 0.00 H new ATOM 0 HG22 VAL A 38 4.236 -8.625 4.104 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.741 -9.548 3.879 1.00 0.00 H new ATOM 573 N THR A 39 7.805 -5.864 6.285 1.00 0.00 N ATOM 574 CA THR A 39 8.196 -4.766 7.161 1.00 0.00 C ATOM 575 C THR A 39 8.419 -3.499 6.343 1.00 0.00 C ATOM 576 O THR A 39 8.091 -2.393 6.780 1.00 0.00 O ATOM 577 CB THR A 39 9.467 -5.126 7.934 1.00 0.00 C ATOM 578 OG1 THR A 39 9.259 -6.277 8.732 1.00 0.00 O ATOM 579 CG2 THR A 39 9.948 -4.017 8.847 1.00 0.00 C ATOM 0 H THR A 39 8.451 -6.653 6.276 1.00 0.00 H new ATOM 0 HA THR A 39 7.394 -4.588 7.877 1.00 0.00 H new ATOM 0 HB THR A 39 10.227 -5.304 7.173 1.00 0.00 H new ATOM 0 HG1 THR A 39 9.650 -7.058 8.288 1.00 0.00 H new ATOM 0 HG21 THR A 39 10.852 -4.338 9.364 1.00 0.00 H new ATOM 0 HG22 THR A 39 10.165 -3.127 8.256 1.00 0.00 H new ATOM 0 HG23 THR A 39 9.174 -3.787 9.579 1.00 0.00 H new ATOM 587 N VAL A 40 8.954 -3.673 5.136 1.00 0.00 N ATOM 588 CA VAL A 40 9.196 -2.550 4.242 1.00 0.00 C ATOM 589 C VAL A 40 7.869 -1.956 3.791 1.00 0.00 C ATOM 590 O VAL A 40 7.674 -0.740 3.806 1.00 0.00 O ATOM 591 CB VAL A 40 10.006 -2.978 3.002 1.00 0.00 C ATOM 592 CG1 VAL A 40 10.350 -1.770 2.145 1.00 0.00 C ATOM 593 CG2 VAL A 40 11.265 -3.725 3.417 1.00 0.00 C ATOM 0 H VAL A 40 9.227 -4.580 4.758 1.00 0.00 H new ATOM 0 HA VAL A 40 9.774 -1.807 4.791 1.00 0.00 H new ATOM 0 HB VAL A 40 9.392 -3.653 2.406 1.00 0.00 H new ATOM 0 HG11 VAL A 40 10.922 -2.092 1.275 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.432 -1.284 1.816 1.00 0.00 H new ATOM 0 HG13 VAL A 40 10.944 -1.067 2.729 1.00 0.00 H new ATOM 0 HG21 VAL A 40 11.823 -4.019 2.528 1.00 0.00 H new ATOM 0 HG22 VAL A 40 11.885 -3.077 4.037 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.990 -4.615 3.983 1.00 0.00 H new ATOM 603 N VAL A 41 6.956 -2.840 3.408 1.00 0.00 N ATOM 604 CA VAL A 41 5.630 -2.441 2.965 1.00 0.00 C ATOM 605 C VAL A 41 4.883 -1.729 4.090 1.00 0.00 C ATOM 606 O VAL A 41 4.305 -0.659 3.893 1.00 0.00 O ATOM 607 CB VAL A 41 4.826 -3.676 2.510 1.00 0.00 C ATOM 608 CG1 VAL A 41 3.441 -3.285 2.027 1.00 0.00 C ATOM 609 CG2 VAL A 41 5.579 -4.429 1.425 1.00 0.00 C ATOM 0 H VAL A 41 7.114 -3.848 3.396 1.00 0.00 H new ATOM 0 HA VAL A 41 5.741 -1.756 2.125 1.00 0.00 H new ATOM 0 HB VAL A 41 4.704 -4.334 3.371 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.900 -4.178 1.713 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.898 -2.797 2.836 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.530 -2.600 1.184 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.998 -5.298 1.115 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.736 -3.773 0.569 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.544 -4.757 1.812 1.00 0.00 H new ATOM 619 N GLU A 42 4.903 -2.339 5.272 1.00 0.00 N ATOM 620 CA GLU A 42 4.234 -1.785 6.443 1.00 0.00 C ATOM 621 C GLU A 42 4.691 -0.354 6.712 1.00 0.00 C ATOM 622 O GLU A 42 3.870 0.531 6.960 1.00 0.00 O ATOM 623 CB GLU A 42 4.503 -2.660 7.669 1.00 0.00 C ATOM 624 CG GLU A 42 3.326 -3.539 8.060 1.00 0.00 C ATOM 625 CD GLU A 42 3.744 -4.958 8.394 1.00 0.00 C ATOM 626 OE1 GLU A 42 4.781 -5.128 9.068 1.00 0.00 O ATOM 627 OE2 GLU A 42 3.033 -5.898 7.981 1.00 0.00 O ATOM 0 H GLU A 42 5.380 -3.224 5.444 1.00 0.00 H new ATOM 0 HA GLU A 42 3.163 -1.769 6.243 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.368 -3.293 7.470 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.763 -2.020 8.512 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.820 -3.101 8.920 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.605 -3.559 7.243 1.00 0.00 H new ATOM 634 N ASP A 43 5.998 -0.127 6.673 1.00 0.00 N ATOM 635 CA ASP A 43 6.527 1.207 6.921 1.00 0.00 C ATOM 636 C ASP A 43 6.120 2.171 5.809 1.00 0.00 C ATOM 637 O ASP A 43 5.888 3.353 6.061 1.00 0.00 O ATOM 638 CB ASP A 43 8.055 1.173 7.080 1.00 0.00 C ATOM 639 CG ASP A 43 8.800 1.037 5.763 1.00 0.00 C ATOM 640 OD1 ASP A 43 8.591 1.881 4.867 1.00 0.00 O ATOM 641 OD2 ASP A 43 9.604 0.092 5.635 1.00 0.00 O ATOM 0 H ASP A 43 6.702 -0.838 6.475 1.00 0.00 H new ATOM 0 HA ASP A 43 6.098 1.568 7.856 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.380 2.086 7.580 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.326 0.340 7.729 1.00 0.00 H new ATOM 646 N TRP A 44 6.055 1.672 4.573 1.00 0.00 N ATOM 647 CA TRP A 44 5.698 2.529 3.446 1.00 0.00 C ATOM 648 C TRP A 44 4.301 3.120 3.635 1.00 0.00 C ATOM 649 O TRP A 44 4.102 4.333 3.505 1.00 0.00 O ATOM 650 CB TRP A 44 5.741 1.727 2.143 1.00 0.00 C ATOM 651 CG TRP A 44 7.124 1.543 1.593 1.00 0.00 C ATOM 652 CD1 TRP A 44 8.244 2.251 1.928 1.00 0.00 C ATOM 653 CD2 TRP A 44 7.532 0.588 0.607 1.00 0.00 C ATOM 654 NE1 TRP A 44 9.322 1.791 1.210 1.00 0.00 N ATOM 655 CE2 TRP A 44 8.911 0.771 0.393 1.00 0.00 C ATOM 656 CE3 TRP A 44 6.863 -0.406 -0.114 1.00 0.00 C ATOM 657 CZ2 TRP A 44 9.633 -0.003 -0.513 1.00 0.00 C ATOM 658 CZ3 TRP A 44 7.581 -1.173 -1.012 1.00 0.00 C ATOM 659 CH2 TRP A 44 8.953 -0.968 -1.205 1.00 0.00 C ATOM 0 H TRP A 44 6.241 0.699 4.332 1.00 0.00 H new ATOM 0 HA TRP A 44 6.420 3.344 3.396 1.00 0.00 H new ATOM 0 HB2 TRP A 44 5.295 0.747 2.315 1.00 0.00 H new ATOM 0 HB3 TRP A 44 5.127 2.231 1.396 1.00 0.00 H new ATOM 0 HD1 TRP A 44 8.277 3.053 2.650 1.00 0.00 H new ATOM 0 HE1 TRP A 44 10.274 2.151 1.275 1.00 0.00 H new ATOM 0 HE3 TRP A 44 5.805 -0.571 0.028 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 10.691 0.153 -0.664 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 7.075 -1.944 -1.575 1.00 0.00 H new ATOM 0 HH2 TRP A 44 9.485 -1.584 -1.915 1.00 0.00 H new ATOM 670 N MET A 45 3.330 2.266 3.946 1.00 0.00 N ATOM 671 CA MET A 45 1.961 2.723 4.143 1.00 0.00 C ATOM 672 C MET A 45 1.843 3.563 5.408 1.00 0.00 C ATOM 673 O MET A 45 1.050 4.503 5.461 1.00 0.00 O ATOM 674 CB MET A 45 0.992 1.539 4.200 1.00 0.00 C ATOM 675 CG MET A 45 1.441 0.420 5.125 1.00 0.00 C ATOM 676 SD MET A 45 1.394 -1.200 4.337 1.00 0.00 S ATOM 677 CE MET A 45 -0.330 -1.633 4.550 1.00 0.00 C ATOM 0 H MET A 45 3.465 1.262 4.066 1.00 0.00 H new ATOM 0 HA MET A 45 1.694 3.347 3.290 1.00 0.00 H new ATOM 0 HB2 MET A 45 0.015 1.897 4.526 1.00 0.00 H new ATOM 0 HB3 MET A 45 0.865 1.137 3.195 1.00 0.00 H new ATOM 0 HG2 MET A 45 2.456 0.623 5.467 1.00 0.00 H new ATOM 0 HG3 MET A 45 0.803 0.408 6.009 1.00 0.00 H new ATOM 0 HE1 MET A 45 -0.516 -2.614 4.112 1.00 0.00 H new ATOM 0 HE2 MET A 45 -0.570 -1.659 5.613 1.00 0.00 H new ATOM 0 HE3 MET A 45 -0.956 -0.890 4.055 1.00 0.00 H new ATOM 687 N ASN A 46 2.629 3.226 6.426 1.00 0.00 N ATOM 688 CA ASN A 46 2.593 3.966 7.680 1.00 0.00 C ATOM 689 C ASN A 46 3.091 5.396 7.481 1.00 0.00 C ATOM 690 O ASN A 46 2.596 6.327 8.121 1.00 0.00 O ATOM 691 CB ASN A 46 3.434 3.256 8.745 1.00 0.00 C ATOM 692 CG ASN A 46 2.611 2.843 9.949 1.00 0.00 C ATOM 693 OD1 ASN A 46 2.155 3.684 10.723 1.00 0.00 O ATOM 694 ND2 ASN A 46 2.420 1.538 10.115 1.00 0.00 N ATOM 0 H ASN A 46 3.293 2.452 6.407 1.00 0.00 H new ATOM 0 HA ASN A 46 1.558 4.007 8.020 1.00 0.00 H new ATOM 0 HB2 ASN A 46 3.901 2.374 8.307 1.00 0.00 H new ATOM 0 HB3 ASN A 46 4.239 3.916 9.068 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.877 1.199 10.909 1.00 0.00 H new ATOM 0 HD22 ASN A 46 2.817 0.876 9.448 1.00 0.00 H new ATOM 701 N PHE A 47 4.055 5.582 6.582 1.00 0.00 N ATOM 702 CA PHE A 47 4.562 6.919 6.318 1.00 0.00 C ATOM 703 C PHE A 47 3.531 7.688 5.516 1.00 0.00 C ATOM 704 O PHE A 47 3.292 8.865 5.766 1.00 0.00 O ATOM 705 CB PHE A 47 5.926 6.882 5.598 1.00 0.00 C ATOM 706 CG PHE A 47 5.876 7.091 4.100 1.00 0.00 C ATOM 707 CD1 PHE A 47 5.524 8.320 3.553 1.00 0.00 C ATOM 708 CD2 PHE A 47 6.195 6.051 3.243 1.00 0.00 C ATOM 709 CE1 PHE A 47 5.491 8.499 2.182 1.00 0.00 C ATOM 710 CE2 PHE A 47 6.161 6.226 1.872 1.00 0.00 C ATOM 711 CZ PHE A 47 5.809 7.450 1.342 1.00 0.00 C ATOM 0 H PHE A 47 4.491 4.839 6.036 1.00 0.00 H new ATOM 0 HA PHE A 47 4.731 7.427 7.267 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.568 7.648 6.033 1.00 0.00 H new ATOM 0 HB3 PHE A 47 6.397 5.920 5.798 1.00 0.00 H new ATOM 0 HD1 PHE A 47 5.274 9.143 4.206 1.00 0.00 H new ATOM 0 HD2 PHE A 47 6.474 5.091 3.651 1.00 0.00 H new ATOM 0 HE1 PHE A 47 5.217 9.458 1.769 1.00 0.00 H new ATOM 0 HE2 PHE A 47 6.410 5.405 1.216 1.00 0.00 H new ATOM 0 HZ PHE A 47 5.782 7.588 0.271 1.00 0.00 H new ATOM 721 N TYR A 48 2.903 7.007 4.564 1.00 0.00 N ATOM 722 CA TYR A 48 1.876 7.638 3.752 1.00 0.00 C ATOM 723 C TYR A 48 0.711 8.070 4.633 1.00 0.00 C ATOM 724 O TYR A 48 0.258 9.210 4.564 1.00 0.00 O ATOM 725 CB TYR A 48 1.383 6.680 2.665 1.00 0.00 C ATOM 726 CG TYR A 48 2.220 6.705 1.407 1.00 0.00 C ATOM 727 CD1 TYR A 48 2.303 7.851 0.627 1.00 0.00 C ATOM 728 CD2 TYR A 48 2.925 5.580 0.998 1.00 0.00 C ATOM 729 CE1 TYR A 48 3.065 7.875 -0.525 1.00 0.00 C ATOM 730 CE2 TYR A 48 3.690 5.596 -0.152 1.00 0.00 C ATOM 731 CZ TYR A 48 3.757 6.747 -0.910 1.00 0.00 C ATOM 732 OH TYR A 48 4.516 6.767 -2.056 1.00 0.00 O ATOM 0 H TYR A 48 3.086 6.029 4.339 1.00 0.00 H new ATOM 0 HA TYR A 48 2.306 8.516 3.269 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.374 5.666 3.064 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.353 6.932 2.411 1.00 0.00 H new ATOM 0 HD1 TYR A 48 1.763 8.737 0.926 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.874 4.678 1.589 1.00 0.00 H new ATOM 0 HE1 TYR A 48 3.118 8.774 -1.121 1.00 0.00 H new ATOM 0 HE2 TYR A 48 4.232 4.713 -0.456 1.00 0.00 H new ATOM 0 HH TYR A 48 4.939 5.892 -2.183 1.00 0.00 H new ATOM 742 N ILE A 49 0.221 7.146 5.451 1.00 0.00 N ATOM 743 CA ILE A 49 -0.903 7.426 6.336 1.00 0.00 C ATOM 744 C ILE A 49 -0.618 8.618 7.253 1.00 0.00 C ATOM 745 O ILE A 49 -1.449 9.520 7.384 1.00 0.00 O ATOM 746 CB ILE A 49 -1.259 6.198 7.205 1.00 0.00 C ATOM 747 CG1 ILE A 49 -2.514 6.477 8.031 1.00 0.00 C ATOM 748 CG2 ILE A 49 -0.102 5.822 8.110 1.00 0.00 C ATOM 749 CD1 ILE A 49 -3.741 5.748 7.530 1.00 0.00 C ATOM 0 H ILE A 49 0.585 6.196 5.520 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.748 7.668 5.692 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.458 5.357 6.541 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.329 6.191 9.066 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -2.711 7.549 8.027 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.377 4.955 8.711 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.771 5.581 7.503 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.133 6.659 8.767 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -4.594 5.993 8.163 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.952 6.052 6.505 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -3.563 4.673 7.560 1.00 0.00 H new ATOM 761 N ASN A 50 0.546 8.616 7.895 1.00 0.00 N ATOM 762 CA ASN A 50 0.912 9.695 8.809 1.00 0.00 C ATOM 763 C ASN A 50 1.278 10.976 8.061 1.00 0.00 C ATOM 764 O ASN A 50 1.036 12.080 8.547 1.00 0.00 O ATOM 765 CB ASN A 50 2.082 9.260 9.695 1.00 0.00 C ATOM 766 CG ASN A 50 1.882 9.643 11.149 1.00 0.00 C ATOM 767 OD1 ASN A 50 2.383 10.668 11.607 1.00 0.00 O ATOM 768 ND2 ASN A 50 1.143 8.817 11.882 1.00 0.00 N ATOM 0 H ASN A 50 1.250 7.884 7.801 1.00 0.00 H new ATOM 0 HA ASN A 50 0.041 9.908 9.429 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.208 8.180 9.621 1.00 0.00 H new ATOM 0 HB3 ASN A 50 3.002 9.714 9.326 1.00 0.00 H new ATOM 0 HD21 ASN A 50 0.972 9.023 12.866 1.00 0.00 H new ATOM 0 HD22 ASN A 50 0.747 7.977 11.460 1.00 0.00 H new ATOM 775 N TYR A 51 1.878 10.821 6.887 1.00 0.00 N ATOM 776 CA TYR A 51 2.297 11.962 6.080 1.00 0.00 C ATOM 777 C TYR A 51 1.102 12.666 5.443 1.00 0.00 C ATOM 778 O TYR A 51 1.023 13.894 5.439 1.00 0.00 O ATOM 779 CB TYR A 51 3.283 11.479 5.011 1.00 0.00 C ATOM 780 CG TYR A 51 3.580 12.472 3.909 1.00 0.00 C ATOM 781 CD1 TYR A 51 3.491 13.842 4.121 1.00 0.00 C ATOM 782 CD2 TYR A 51 3.960 12.025 2.653 1.00 0.00 C ATOM 783 CE1 TYR A 51 3.769 14.738 3.105 1.00 0.00 C ATOM 784 CE2 TYR A 51 4.241 12.909 1.636 1.00 0.00 C ATOM 785 CZ TYR A 51 4.145 14.266 1.864 1.00 0.00 C ATOM 786 OH TYR A 51 4.425 15.153 0.849 1.00 0.00 O ATOM 0 H TYR A 51 2.086 9.913 6.471 1.00 0.00 H new ATOM 0 HA TYR A 51 2.787 12.692 6.725 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.220 11.212 5.499 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.888 10.569 4.560 1.00 0.00 H new ATOM 0 HD1 TYR A 51 3.201 14.213 5.093 1.00 0.00 H new ATOM 0 HD2 TYR A 51 4.037 10.964 2.469 1.00 0.00 H new ATOM 0 HE1 TYR A 51 3.692 15.801 3.282 1.00 0.00 H new ATOM 0 HE2 TYR A 51 4.535 12.542 0.664 1.00 0.00 H new ATOM 0 HH TYR A 51 4.675 14.658 0.041 1.00 0.00 H new ATOM 796 N TYR A 52 0.178 11.885 4.907 1.00 0.00 N ATOM 797 CA TYR A 52 -1.009 12.437 4.264 1.00 0.00 C ATOM 798 C TYR A 52 -1.985 12.985 5.294 1.00 0.00 C ATOM 799 O TYR A 52 -2.600 14.029 5.081 1.00 0.00 O ATOM 800 CB TYR A 52 -1.698 11.376 3.405 1.00 0.00 C ATOM 801 CG TYR A 52 -1.036 11.148 2.063 1.00 0.00 C ATOM 802 CD1 TYR A 52 -0.369 12.178 1.407 1.00 0.00 C ATOM 803 CD2 TYR A 52 -1.077 9.902 1.455 1.00 0.00 C ATOM 804 CE1 TYR A 52 0.235 11.969 0.184 1.00 0.00 C ATOM 805 CE2 TYR A 52 -0.474 9.685 0.231 1.00 0.00 C ATOM 806 CZ TYR A 52 0.181 10.722 -0.399 1.00 0.00 C ATOM 807 OH TYR A 52 0.786 10.513 -1.616 1.00 0.00 O ATOM 0 H TYR A 52 0.225 10.866 4.903 1.00 0.00 H new ATOM 0 HA TYR A 52 -0.688 13.258 3.623 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -1.717 10.435 3.954 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -2.734 11.671 3.242 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -0.323 13.156 1.862 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -1.589 9.088 1.947 1.00 0.00 H new ATOM 0 HE1 TYR A 52 0.747 12.779 -0.314 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -0.515 8.709 -0.230 1.00 0.00 H new ATOM 0 HH TYR A 52 0.355 11.072 -2.296 1.00 0.00 H new ATOM 817 N ARG A 53 -2.123 12.283 6.413 1.00 0.00 N ATOM 818 CA ARG A 53 -3.026 12.718 7.470 1.00 0.00 C ATOM 819 C ARG A 53 -2.708 14.150 7.899 1.00 0.00 C ATOM 820 O ARG A 53 -3.568 14.855 8.427 1.00 0.00 O ATOM 821 CB ARG A 53 -2.927 11.776 8.672 1.00 0.00 C ATOM 822 CG ARG A 53 -3.979 12.037 9.739 1.00 0.00 C ATOM 823 CD ARG A 53 -4.863 10.820 9.964 1.00 0.00 C ATOM 824 NE ARG A 53 -4.171 9.769 10.705 1.00 0.00 N ATOM 825 CZ ARG A 53 -4.762 8.657 11.139 1.00 0.00 C ATOM 826 NH1 ARG A 53 -6.053 8.451 10.912 1.00 0.00 N ATOM 827 NH2 ARG A 53 -4.059 7.750 11.803 1.00 0.00 N ATOM 0 H ARG A 53 -1.624 11.416 6.610 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.044 12.692 7.082 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.021 10.747 8.325 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.937 11.873 9.118 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.490 12.310 10.674 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -4.596 12.885 9.443 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -5.758 11.118 10.509 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -5.192 10.428 9.001 1.00 0.00 H new ATOM 0 HE ARG A 53 -3.178 9.894 10.902 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -6.599 9.146 10.403 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -6.500 7.597 11.247 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.067 7.904 11.981 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.511 6.898 12.136 1.00 0.00 H new ATOM 841 N GLN A 54 -1.462 14.565 7.682 1.00 0.00 N ATOM 842 CA GLN A 54 -1.021 15.902 8.057 1.00 0.00 C ATOM 843 C GLN A 54 -0.781 16.784 6.825 1.00 0.00 C ATOM 844 O GLN A 54 -0.488 17.972 6.957 1.00 0.00 O ATOM 845 CB GLN A 54 0.260 15.785 8.898 1.00 0.00 C ATOM 846 CG GLN A 54 1.307 16.850 8.607 1.00 0.00 C ATOM 847 CD GLN A 54 2.536 16.718 9.484 1.00 0.00 C ATOM 848 OE1 GLN A 54 2.538 17.143 10.640 1.00 0.00 O ATOM 849 NE2 GLN A 54 3.591 16.126 8.937 1.00 0.00 N ATOM 0 H GLN A 54 -0.740 13.991 7.247 1.00 0.00 H new ATOM 0 HA GLN A 54 -1.806 16.380 8.643 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -0.008 15.836 9.953 1.00 0.00 H new ATOM 0 HB3 GLN A 54 0.702 14.803 8.728 1.00 0.00 H new ATOM 0 HG2 GLN A 54 1.604 16.785 7.560 1.00 0.00 H new ATOM 0 HG3 GLN A 54 0.866 17.836 8.753 1.00 0.00 H new ATOM 0 HE21 GLN A 54 3.545 15.789 7.975 1.00 0.00 H new ATOM 0 HE22 GLN A 54 4.447 16.008 9.478 1.00 0.00 H new ATOM 858 N GLN A 55 -0.886 16.204 5.631 1.00 0.00 N ATOM 859 CA GLN A 55 -0.653 16.954 4.400 1.00 0.00 C ATOM 860 C GLN A 55 -1.953 17.404 3.730 1.00 0.00 C ATOM 861 O GLN A 55 -1.922 18.201 2.793 1.00 0.00 O ATOM 862 CB GLN A 55 0.164 16.112 3.417 1.00 0.00 C ATOM 863 CG GLN A 55 0.899 16.938 2.373 1.00 0.00 C ATOM 864 CD GLN A 55 1.768 18.019 2.988 1.00 0.00 C ATOM 865 OE1 GLN A 55 1.815 19.146 2.497 1.00 0.00 O ATOM 866 NE2 GLN A 55 2.461 17.679 4.068 1.00 0.00 N ATOM 0 H GLN A 55 -1.129 15.223 5.491 1.00 0.00 H new ATOM 0 HA GLN A 55 -0.099 17.851 4.676 1.00 0.00 H new ATOM 0 HB2 GLN A 55 0.888 15.519 3.975 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.501 15.411 2.912 1.00 0.00 H new ATOM 0 HG2 GLN A 55 1.520 16.279 1.766 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.173 17.398 1.703 1.00 0.00 H new ATOM 0 HE21 GLN A 55 2.392 16.732 4.441 1.00 0.00 H new ATOM 0 HE22 GLN A 55 3.063 18.364 4.525 1.00 0.00 H new ATOM 927 N PRO A 60 -11.797 19.680 7.818 1.00 0.00 N ATOM 928 CA PRO A 60 -11.448 18.403 8.449 1.00 0.00 C ATOM 929 C PRO A 60 -12.181 17.225 7.816 1.00 0.00 C ATOM 930 O PRO A 60 -11.667 16.106 7.786 1.00 0.00 O ATOM 931 CB PRO A 60 -11.888 18.587 9.905 1.00 0.00 C ATOM 932 CG PRO A 60 -12.913 19.666 9.864 1.00 0.00 C ATOM 933 CD PRO A 60 -12.505 20.580 8.744 1.00 0.00 C ATOM 0 HA PRO A 60 -10.388 18.173 8.338 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -12.302 17.664 10.312 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -11.047 18.866 10.539 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -13.907 19.254 9.689 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -12.953 20.203 10.812 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -13.368 21.047 8.270 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -11.860 21.385 9.096 1.00 0.00 H new ATOM 941 N GLN A 61 -13.383 17.481 7.309 1.00 0.00 N ATOM 942 CA GLN A 61 -14.181 16.439 6.675 1.00 0.00 C ATOM 943 C GLN A 61 -13.514 15.953 5.394 1.00 0.00 C ATOM 944 O GLN A 61 -13.550 14.766 5.072 1.00 0.00 O ATOM 945 CB GLN A 61 -15.586 16.960 6.368 1.00 0.00 C ATOM 946 CG GLN A 61 -15.599 18.181 5.462 1.00 0.00 C ATOM 947 CD GLN A 61 -16.762 19.109 5.752 1.00 0.00 C ATOM 948 OE1 GLN A 61 -17.658 19.279 4.925 1.00 0.00 O ATOM 949 NE2 GLN A 61 -16.753 19.719 6.933 1.00 0.00 N ATOM 0 H GLN A 61 -13.825 18.400 7.325 1.00 0.00 H new ATOM 0 HA GLN A 61 -14.257 15.600 7.366 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -16.165 16.164 5.899 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -16.085 17.208 7.305 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -14.664 18.728 5.582 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -15.648 17.857 4.422 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -15.990 19.549 7.589 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -17.509 20.357 7.183 1.00 0.00 H new ATOM 958 N GLU A 62 -12.900 16.883 4.669 1.00 0.00 N ATOM 959 CA GLU A 62 -12.218 16.556 3.424 1.00 0.00 C ATOM 960 C GLU A 62 -11.023 15.650 3.688 1.00 0.00 C ATOM 961 O GLU A 62 -10.832 14.643 3.007 1.00 0.00 O ATOM 962 CB GLU A 62 -11.763 17.836 2.716 1.00 0.00 C ATOM 963 CG GLU A 62 -12.083 17.854 1.231 1.00 0.00 C ATOM 964 CD GLU A 62 -12.821 19.108 0.807 1.00 0.00 C ATOM 965 OE1 GLU A 62 -12.219 20.201 0.869 1.00 0.00 O ATOM 966 OE2 GLU A 62 -14.002 18.999 0.414 1.00 0.00 O ATOM 0 H GLU A 62 -12.861 17.870 4.924 1.00 0.00 H new ATOM 0 HA GLU A 62 -12.918 16.026 2.779 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -12.238 18.694 3.192 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -10.687 17.953 2.849 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.156 17.773 0.663 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -12.686 16.981 0.983 1.00 0.00 H new ATOM 973 N ARG A 63 -10.222 16.009 4.688 1.00 0.00 N ATOM 974 CA ARG A 63 -9.051 15.219 5.042 1.00 0.00 C ATOM 975 C ARG A 63 -9.470 13.832 5.509 1.00 0.00 C ATOM 976 O ARG A 63 -8.939 12.823 5.047 1.00 0.00 O ATOM 977 CB ARG A 63 -8.241 15.910 6.146 1.00 0.00 C ATOM 978 CG ARG A 63 -8.181 17.425 6.016 1.00 0.00 C ATOM 979 CD ARG A 63 -7.159 18.022 6.969 1.00 0.00 C ATOM 980 NE ARG A 63 -6.937 19.443 6.713 1.00 0.00 N ATOM 981 CZ ARG A 63 -6.449 20.294 7.614 1.00 0.00 C ATOM 982 NH1 ARG A 63 -6.125 19.871 8.829 1.00 0.00 N ATOM 983 NH2 ARG A 63 -6.283 21.570 7.297 1.00 0.00 N ATOM 0 H ARG A 63 -10.363 16.839 5.264 1.00 0.00 H new ATOM 0 HA ARG A 63 -8.426 15.126 4.154 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -8.675 15.656 7.113 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -7.225 15.515 6.138 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -7.926 17.694 4.991 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -9.164 17.849 6.222 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -7.499 17.887 7.996 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -6.216 17.484 6.872 1.00 0.00 H new ATOM 0 HE ARG A 63 -7.170 19.805 5.788 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -6.249 18.889 9.077 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -5.752 20.527 9.515 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -6.529 21.900 6.364 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -5.909 22.222 7.986 1.00 0.00 H new ATOM 997 N ASP A 64 -10.410 13.793 6.446 1.00 0.00 N ATOM 998 CA ASP A 64 -10.884 12.531 6.999 1.00 0.00 C ATOM 999 C ASP A 64 -11.375 11.587 5.907 1.00 0.00 C ATOM 1000 O ASP A 64 -11.097 10.386 5.953 1.00 0.00 O ATOM 1001 CB ASP A 64 -12.003 12.784 8.013 1.00 0.00 C ATOM 1002 CG ASP A 64 -11.501 12.759 9.443 1.00 0.00 C ATOM 1003 OD1 ASP A 64 -11.216 11.655 9.954 1.00 0.00 O ATOM 1004 OD2 ASP A 64 -11.394 13.843 10.054 1.00 0.00 O ATOM 0 H ASP A 64 -10.859 14.621 6.838 1.00 0.00 H new ATOM 0 HA ASP A 64 -10.042 12.054 7.501 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -12.463 13.751 7.809 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -12.779 12.029 7.890 1.00 0.00 H new ATOM 1009 N LYS A 65 -12.095 12.112 4.918 1.00 0.00 N ATOM 1010 CA LYS A 65 -12.594 11.274 3.834 1.00 0.00 C ATOM 1011 C LYS A 65 -11.437 10.726 3.013 1.00 0.00 C ATOM 1012 O LYS A 65 -11.356 9.526 2.752 1.00 0.00 O ATOM 1013 CB LYS A 65 -13.548 12.069 2.939 1.00 0.00 C ATOM 1014 CG LYS A 65 -15.017 11.817 3.242 1.00 0.00 C ATOM 1015 CD LYS A 65 -15.800 13.117 3.341 1.00 0.00 C ATOM 1016 CE LYS A 65 -16.079 13.706 1.967 1.00 0.00 C ATOM 1017 NZ LYS A 65 -17.164 12.971 1.258 1.00 0.00 N ATOM 0 H LYS A 65 -12.342 13.099 4.846 1.00 0.00 H new ATOM 0 HA LYS A 65 -13.141 10.437 4.269 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -13.339 13.133 3.053 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -13.352 11.816 1.897 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -15.448 11.191 2.461 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -15.107 11.266 4.178 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -16.742 12.937 3.859 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -15.240 13.836 3.939 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -16.359 14.754 2.071 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -15.169 13.677 1.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -17.418 13.481 0.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -16.835 12.015 1.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -17.998 12.903 1.875 1.00 0.00 H new ATOM 1031 N ALA A 66 -10.538 11.613 2.615 1.00 0.00 N ATOM 1032 CA ALA A 66 -9.377 11.220 1.831 1.00 0.00 C ATOM 1033 C ALA A 66 -8.529 10.213 2.601 1.00 0.00 C ATOM 1034 O ALA A 66 -7.997 9.264 2.026 1.00 0.00 O ATOM 1035 CB ALA A 66 -8.550 12.442 1.461 1.00 0.00 C ATOM 0 H ALA A 66 -10.590 12.610 2.822 1.00 0.00 H new ATOM 0 HA ALA A 66 -9.723 10.746 0.913 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -7.685 12.132 0.875 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -9.159 13.129 0.874 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -8.213 12.942 2.369 1.00 0.00 H new ATOM 1041 N LEU A 67 -8.408 10.433 3.907 1.00 0.00 N ATOM 1042 CA LEU A 67 -7.625 9.555 4.765 1.00 0.00 C ATOM 1043 C LEU A 67 -8.192 8.138 4.770 1.00 0.00 C ATOM 1044 O LEU A 67 -7.445 7.162 4.674 1.00 0.00 O ATOM 1045 CB LEU A 67 -7.588 10.112 6.192 1.00 0.00 C ATOM 1046 CG LEU A 67 -6.347 10.940 6.548 1.00 0.00 C ATOM 1047 CD1 LEU A 67 -5.829 11.702 5.333 1.00 0.00 C ATOM 1048 CD2 LEU A 67 -6.665 11.899 7.684 1.00 0.00 C ATOM 0 H LEU A 67 -8.845 11.216 4.394 1.00 0.00 H new ATOM 0 HA LEU A 67 -6.610 9.511 4.369 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -8.472 10.731 6.344 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.659 9.278 6.890 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.562 10.257 6.874 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.949 12.280 5.614 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.563 10.996 4.547 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.604 12.376 4.968 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.777 12.481 7.928 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.467 12.571 7.379 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.980 11.333 8.561 1.00 0.00 H new ATOM 1060 N GLN A 68 -9.514 8.024 4.871 1.00 0.00 N ATOM 1061 CA GLN A 68 -10.152 6.715 4.874 1.00 0.00 C ATOM 1062 C GLN A 68 -10.030 6.068 3.500 1.00 0.00 C ATOM 1063 O GLN A 68 -9.828 4.859 3.387 1.00 0.00 O ATOM 1064 CB GLN A 68 -11.624 6.820 5.289 1.00 0.00 C ATOM 1065 CG GLN A 68 -12.479 7.638 4.335 1.00 0.00 C ATOM 1066 CD GLN A 68 -13.954 7.305 4.447 1.00 0.00 C ATOM 1067 OE1 GLN A 68 -14.485 7.142 5.546 1.00 0.00 O ATOM 1068 NE2 GLN A 68 -14.626 7.203 3.306 1.00 0.00 N ATOM 0 H GLN A 68 -10.156 8.813 4.951 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.642 6.088 5.605 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -12.042 5.816 5.365 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.680 7.265 6.283 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -12.333 8.699 4.539 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.147 7.462 3.312 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -14.146 7.346 2.417 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -15.622 6.982 3.319 1.00 0.00 H new ATOM 1077 N GLU A 69 -10.150 6.883 2.456 1.00 0.00 N ATOM 1078 CA GLU A 69 -10.045 6.390 1.091 1.00 0.00 C ATOM 1079 C GLU A 69 -8.661 5.814 0.832 1.00 0.00 C ATOM 1080 O GLU A 69 -8.522 4.759 0.214 1.00 0.00 O ATOM 1081 CB GLU A 69 -10.344 7.511 0.093 1.00 0.00 C ATOM 1082 CG GLU A 69 -11.203 7.068 -1.081 1.00 0.00 C ATOM 1083 CD GLU A 69 -12.687 7.181 -0.791 1.00 0.00 C ATOM 1084 OE1 GLU A 69 -13.203 8.318 -0.773 1.00 0.00 O ATOM 1085 OE2 GLU A 69 -13.333 6.133 -0.584 1.00 0.00 O ATOM 0 H GLU A 69 -10.320 7.886 2.531 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.781 5.597 0.958 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -10.848 8.325 0.614 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.403 7.909 -0.286 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.960 7.674 -1.954 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.963 6.035 -1.333 1.00 0.00 H new ATOM 1092 N LEU A 70 -7.636 6.507 1.317 1.00 0.00 N ATOM 1093 CA LEU A 70 -6.265 6.047 1.140 1.00 0.00 C ATOM 1094 C LEU A 70 -6.073 4.715 1.848 1.00 0.00 C ATOM 1095 O LEU A 70 -5.553 3.760 1.269 1.00 0.00 O ATOM 1096 CB LEU A 70 -5.275 7.083 1.680 1.00 0.00 C ATOM 1097 CG LEU A 70 -4.696 8.032 0.630 1.00 0.00 C ATOM 1098 CD1 LEU A 70 -4.393 9.389 1.247 1.00 0.00 C ATOM 1099 CD2 LEU A 70 -3.444 7.436 0.007 1.00 0.00 C ATOM 0 H LEU A 70 -7.728 7.383 1.832 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.074 5.915 0.075 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.774 7.675 2.447 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.453 6.559 2.167 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.438 8.171 -0.156 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -3.982 10.051 0.485 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.311 9.821 1.646 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.669 9.269 2.053 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -3.045 8.125 -0.738 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.697 7.268 0.782 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.691 6.488 -0.471 1.00 0.00 H new ATOM 1111 N ARG A 71 -6.498 4.658 3.104 1.00 0.00 N ATOM 1112 CA ARG A 71 -6.377 3.439 3.896 1.00 0.00 C ATOM 1113 C ARG A 71 -7.046 2.270 3.178 1.00 0.00 C ATOM 1114 O ARG A 71 -6.508 1.165 3.134 1.00 0.00 O ATOM 1115 CB ARG A 71 -7.006 3.639 5.278 1.00 0.00 C ATOM 1116 CG ARG A 71 -7.031 2.379 6.130 1.00 0.00 C ATOM 1117 CD ARG A 71 -5.644 2.023 6.641 1.00 0.00 C ATOM 1118 NE ARG A 71 -5.321 2.725 7.881 1.00 0.00 N ATOM 1119 CZ ARG A 71 -5.847 2.420 9.065 1.00 0.00 C ATOM 1120 NH1 ARG A 71 -6.719 1.426 9.175 1.00 0.00 N ATOM 1121 NH2 ARG A 71 -5.498 3.112 10.141 1.00 0.00 N ATOM 0 H ARG A 71 -6.929 5.440 3.596 1.00 0.00 H new ATOM 0 HA ARG A 71 -5.318 3.211 4.022 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.454 4.414 5.809 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -8.026 4.002 5.153 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -7.705 2.523 6.975 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -7.428 1.550 5.544 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -5.584 0.947 6.807 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -4.903 2.270 5.881 1.00 0.00 H new ATOM 0 HE ARG A 71 -4.653 3.494 7.837 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -6.989 0.891 8.350 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -7.119 1.197 10.085 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -4.828 3.876 10.060 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -5.900 2.880 11.049 1.00 0.00 H new ATOM 1135 N GLN A 72 -8.217 2.528 2.605 1.00 0.00 N ATOM 1136 CA GLN A 72 -8.949 1.500 1.876 1.00 0.00 C ATOM 1137 C GLN A 72 -8.188 1.105 0.616 1.00 0.00 C ATOM 1138 O GLN A 72 -8.100 -0.075 0.271 1.00 0.00 O ATOM 1139 CB GLN A 72 -10.349 1.995 1.512 1.00 0.00 C ATOM 1140 CG GLN A 72 -11.339 0.876 1.239 1.00 0.00 C ATOM 1141 CD GLN A 72 -12.060 0.415 2.491 1.00 0.00 C ATOM 1142 OE1 GLN A 72 -11.433 -0.016 3.459 1.00 0.00 O ATOM 1143 NE2 GLN A 72 -13.384 0.504 2.478 1.00 0.00 N ATOM 0 H GLN A 72 -8.678 3.438 2.631 1.00 0.00 H new ATOM 0 HA GLN A 72 -9.047 0.625 2.518 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -10.729 2.614 2.325 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -10.282 2.632 0.630 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -12.072 1.215 0.507 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -10.813 0.031 0.796 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -13.863 0.867 1.654 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -13.923 0.209 3.292 1.00 0.00 H new ATOM 1152 N GLU A 73 -7.632 2.103 -0.063 1.00 0.00 N ATOM 1153 CA GLU A 73 -6.868 1.868 -1.281 1.00 0.00 C ATOM 1154 C GLU A 73 -5.682 0.951 -1.006 1.00 0.00 C ATOM 1155 O GLU A 73 -5.452 -0.013 -1.733 1.00 0.00 O ATOM 1156 CB GLU A 73 -6.379 3.194 -1.867 1.00 0.00 C ATOM 1157 CG GLU A 73 -7.458 3.968 -2.606 1.00 0.00 C ATOM 1158 CD GLU A 73 -7.851 3.313 -3.917 1.00 0.00 C ATOM 1159 OE1 GLU A 73 -7.090 3.445 -4.897 1.00 0.00 O ATOM 1160 OE2 GLU A 73 -8.920 2.670 -3.960 1.00 0.00 O ATOM 0 H GLU A 73 -7.697 3.083 0.211 1.00 0.00 H new ATOM 0 HA GLU A 73 -7.522 1.381 -2.004 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -5.986 3.814 -1.062 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -5.553 2.997 -2.550 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -8.338 4.055 -1.969 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -7.105 4.980 -2.801 1.00 0.00 H new ATOM 1167 N LEU A 74 -4.933 1.254 0.050 1.00 0.00 N ATOM 1168 CA LEU A 74 -3.775 0.448 0.415 1.00 0.00 C ATOM 1169 C LEU A 74 -4.210 -0.939 0.877 1.00 0.00 C ATOM 1170 O LEU A 74 -3.620 -1.945 0.489 1.00 0.00 O ATOM 1171 CB LEU A 74 -2.973 1.140 1.519 1.00 0.00 C ATOM 1172 CG LEU A 74 -2.523 2.566 1.194 1.00 0.00 C ATOM 1173 CD1 LEU A 74 -2.595 3.446 2.432 1.00 0.00 C ATOM 1174 CD2 LEU A 74 -1.113 2.560 0.621 1.00 0.00 C ATOM 0 H LEU A 74 -5.107 2.049 0.665 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.143 0.339 -0.466 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.577 1.163 2.426 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.091 0.538 1.739 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.198 2.978 0.444 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.271 4.456 2.180 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.621 3.475 2.799 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.945 3.039 3.206 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.808 3.582 0.395 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.426 2.129 1.349 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.094 1.965 -0.292 1.00 0.00 H new ATOM 1186 N ASN A 75 -5.239 -0.986 1.717 1.00 0.00 N ATOM 1187 CA ASN A 75 -5.739 -2.255 2.239 1.00 0.00 C ATOM 1188 C ASN A 75 -6.044 -3.229 1.105 1.00 0.00 C ATOM 1189 O ASN A 75 -5.731 -4.417 1.193 1.00 0.00 O ATOM 1190 CB ASN A 75 -6.996 -2.025 3.083 1.00 0.00 C ATOM 1191 CG ASN A 75 -6.992 -2.840 4.361 1.00 0.00 C ATOM 1192 OD1 ASN A 75 -7.171 -4.058 4.334 1.00 0.00 O ATOM 1193 ND2 ASN A 75 -6.790 -2.169 5.489 1.00 0.00 N ATOM 0 H ASN A 75 -5.742 -0.164 2.050 1.00 0.00 H new ATOM 0 HA ASN A 75 -4.963 -2.691 2.868 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -7.075 -0.966 3.331 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -7.877 -2.281 2.495 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -6.779 -2.663 6.381 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -6.646 -1.160 5.463 1.00 0.00 H new ATOM 1200 N THR A 76 -6.635 -2.715 0.035 1.00 0.00 N ATOM 1201 CA THR A 76 -6.949 -3.553 -1.118 1.00 0.00 C ATOM 1202 C THR A 76 -5.709 -3.733 -1.991 1.00 0.00 C ATOM 1203 O THR A 76 -5.346 -4.846 -2.351 1.00 0.00 O ATOM 1204 CB THR A 76 -8.085 -2.938 -1.937 1.00 0.00 C ATOM 1205 OG1 THR A 76 -8.125 -1.532 -1.762 1.00 0.00 O ATOM 1206 CG2 THR A 76 -9.449 -3.487 -1.577 1.00 0.00 C ATOM 0 H THR A 76 -6.904 -1.736 -0.061 1.00 0.00 H new ATOM 0 HA THR A 76 -7.273 -4.529 -0.757 1.00 0.00 H new ATOM 0 HB THR A 76 -7.870 -3.200 -2.973 1.00 0.00 H new ATOM 0 HG1 THR A 76 -8.447 -1.324 -0.860 1.00 0.00 H new ATOM 0 HG21 THR A 76 -10.209 -3.008 -2.195 1.00 0.00 H new ATOM 0 HG22 THR A 76 -9.465 -4.563 -1.750 1.00 0.00 H new ATOM 0 HG23 THR A 76 -9.657 -3.286 -0.526 1.00 0.00 H new ATOM 1214 N LEU A 77 -5.088 -2.615 -2.341 1.00 0.00 N ATOM 1215 CA LEU A 77 -3.901 -2.606 -3.195 1.00 0.00 C ATOM 1216 C LEU A 77 -2.820 -3.579 -2.715 1.00 0.00 C ATOM 1217 O LEU A 77 -2.238 -4.314 -3.513 1.00 0.00 O ATOM 1218 CB LEU A 77 -3.325 -1.190 -3.263 1.00 0.00 C ATOM 1219 CG LEU A 77 -4.020 -0.251 -4.253 1.00 0.00 C ATOM 1220 CD1 LEU A 77 -3.302 1.088 -4.311 1.00 0.00 C ATOM 1221 CD2 LEU A 77 -4.082 -0.885 -5.635 1.00 0.00 C ATOM 0 H LEU A 77 -5.390 -1.688 -2.043 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.215 -2.936 -4.185 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.376 -0.746 -2.269 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.270 -1.256 -3.529 1.00 0.00 H new ATOM 0 HG LEU A 77 -5.040 -0.079 -3.908 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.810 1.743 -5.019 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.309 1.548 -3.323 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.272 0.935 -4.632 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.579 -0.204 -6.326 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.071 -1.086 -5.989 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.641 -1.819 -5.582 1.00 0.00 H new ATOM 1233 N ALA A 78 -2.534 -3.556 -1.419 1.00 0.00 N ATOM 1234 CA ALA A 78 -1.499 -4.414 -0.840 1.00 0.00 C ATOM 1235 C ALA A 78 -1.935 -5.873 -0.701 1.00 0.00 C ATOM 1236 O ALA A 78 -1.096 -6.775 -0.690 1.00 0.00 O ATOM 1237 CB ALA A 78 -1.072 -3.868 0.515 1.00 0.00 C ATOM 0 H ALA A 78 -3.004 -2.952 -0.745 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.657 -4.403 -1.533 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.302 -4.511 0.940 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.676 -2.860 0.393 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.932 -3.841 1.184 1.00 0.00 H new ATOM 1243 N ASN A 79 -3.234 -6.104 -0.546 1.00 0.00 N ATOM 1244 CA ASN A 79 -3.746 -7.462 -0.351 1.00 0.00 C ATOM 1245 C ASN A 79 -3.238 -8.442 -1.417 1.00 0.00 C ATOM 1246 O ASN A 79 -2.740 -9.516 -1.080 1.00 0.00 O ATOM 1247 CB ASN A 79 -5.276 -7.449 -0.351 1.00 0.00 C ATOM 1248 CG ASN A 79 -5.862 -8.371 0.699 1.00 0.00 C ATOM 1249 OD1 ASN A 79 -6.384 -9.440 0.383 1.00 0.00 O ATOM 1250 ND2 ASN A 79 -5.778 -7.960 1.960 1.00 0.00 N ATOM 0 H ASN A 79 -3.950 -5.377 -0.551 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.374 -7.808 0.613 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -5.628 -6.432 -0.175 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -5.639 -7.746 -1.335 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -6.155 -8.538 2.711 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -5.337 -7.066 2.177 1.00 0.00 H new ATOM 1257 N PRO A 80 -3.349 -8.099 -2.711 1.00 0.00 N ATOM 1258 CA PRO A 80 -2.890 -8.976 -3.794 1.00 0.00 C ATOM 1259 C PRO A 80 -1.370 -9.041 -3.899 1.00 0.00 C ATOM 1260 O PRO A 80 -0.816 -10.012 -4.420 1.00 0.00 O ATOM 1261 CB PRO A 80 -3.483 -8.329 -5.046 1.00 0.00 C ATOM 1262 CG PRO A 80 -3.615 -6.889 -4.696 1.00 0.00 C ATOM 1263 CD PRO A 80 -3.932 -6.849 -3.225 1.00 0.00 C ATOM 0 HA PRO A 80 -3.202 -10.008 -3.636 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -2.834 -8.469 -5.910 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -4.449 -8.766 -5.299 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -2.693 -6.349 -4.912 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -4.406 -6.416 -5.279 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -3.493 -5.975 -2.744 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -5.007 -6.805 -3.048 1.00 0.00 H new ATOM 1271 N PHE A 81 -0.697 -8.006 -3.404 1.00 0.00 N ATOM 1272 CA PHE A 81 0.760 -7.939 -3.450 1.00 0.00 C ATOM 1273 C PHE A 81 1.394 -8.914 -2.463 1.00 0.00 C ATOM 1274 O PHE A 81 2.279 -9.689 -2.825 1.00 0.00 O ATOM 1275 CB PHE A 81 1.212 -6.510 -3.134 1.00 0.00 C ATOM 1276 CG PHE A 81 2.704 -6.333 -3.058 1.00 0.00 C ATOM 1277 CD1 PHE A 81 3.423 -6.841 -1.988 1.00 0.00 C ATOM 1278 CD2 PHE A 81 3.383 -5.650 -4.053 1.00 0.00 C ATOM 1279 CE1 PHE A 81 4.792 -6.672 -1.914 1.00 0.00 C ATOM 1280 CE2 PHE A 81 4.751 -5.478 -3.984 1.00 0.00 C ATOM 1281 CZ PHE A 81 5.457 -5.990 -2.913 1.00 0.00 C ATOM 0 H PHE A 81 -1.140 -7.199 -2.965 1.00 0.00 H new ATOM 0 HA PHE A 81 1.086 -8.220 -4.452 1.00 0.00 H new ATOM 0 HB2 PHE A 81 0.817 -5.840 -3.898 1.00 0.00 H new ATOM 0 HB3 PHE A 81 0.773 -6.205 -2.184 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.908 -7.375 -1.203 1.00 0.00 H new ATOM 0 HD2 PHE A 81 2.836 -5.247 -4.893 1.00 0.00 H new ATOM 0 HE1 PHE A 81 5.342 -7.073 -1.075 1.00 0.00 H new ATOM 0 HE2 PHE A 81 5.269 -4.944 -4.767 1.00 0.00 H new ATOM 0 HZ PHE A 81 6.527 -5.857 -2.857 1.00 0.00 H new ATOM 1291 N LEU A 82 0.943 -8.860 -1.218 1.00 0.00 N ATOM 1292 CA LEU A 82 1.476 -9.733 -0.181 1.00 0.00 C ATOM 1293 C LEU A 82 1.102 -11.184 -0.444 1.00 0.00 C ATOM 1294 O LEU A 82 1.937 -12.076 -0.324 1.00 0.00 O ATOM 1295 CB LEU A 82 0.978 -9.293 1.195 1.00 0.00 C ATOM 1296 CG LEU A 82 1.391 -7.879 1.609 1.00 0.00 C ATOM 1297 CD1 LEU A 82 0.686 -7.469 2.891 1.00 0.00 C ATOM 1298 CD2 LEU A 82 2.902 -7.794 1.777 1.00 0.00 C ATOM 0 H LEU A 82 0.212 -8.223 -0.902 1.00 0.00 H new ATOM 0 HA LEU A 82 2.563 -9.656 -0.199 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.110 -9.356 1.209 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.348 -9.997 1.941 1.00 0.00 H new ATOM 0 HG LEU A 82 1.093 -7.188 0.820 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.993 -6.461 3.169 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -0.393 -7.490 2.736 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.951 -8.162 3.690 1.00 0.00 H new ATOM 0 HD21 LEU A 82 3.179 -6.782 2.072 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.223 -8.496 2.546 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.388 -8.043 0.833 1.00 0.00 H new ATOM 1310 N ALA A 83 -0.154 -11.419 -0.804 1.00 0.00 N ATOM 1311 CA ALA A 83 -0.613 -12.774 -1.083 1.00 0.00 C ATOM 1312 C ALA A 83 0.145 -13.365 -2.260 1.00 0.00 C ATOM 1313 O ALA A 83 0.581 -14.516 -2.220 1.00 0.00 O ATOM 1314 CB ALA A 83 -2.113 -12.794 -1.336 1.00 0.00 C ATOM 0 H ALA A 83 -0.867 -10.697 -0.909 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.412 -13.391 -0.207 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -2.434 -13.815 -1.542 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.636 -12.420 -0.455 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.346 -12.161 -2.192 1.00 0.00 H new ATOM 1320 N LYS A 84 0.324 -12.571 -3.304 1.00 0.00 N ATOM 1321 CA LYS A 84 1.064 -13.032 -4.465 1.00 0.00 C ATOM 1322 C LYS A 84 2.502 -13.326 -4.053 1.00 0.00 C ATOM 1323 O LYS A 84 3.049 -14.386 -4.355 1.00 0.00 O ATOM 1324 CB LYS A 84 1.036 -11.980 -5.576 1.00 0.00 C ATOM 1325 CG LYS A 84 -0.214 -12.039 -6.439 1.00 0.00 C ATOM 1326 CD LYS A 84 -0.001 -12.904 -7.670 1.00 0.00 C ATOM 1327 CE LYS A 84 -1.302 -13.137 -8.421 1.00 0.00 C ATOM 1328 NZ LYS A 84 -1.838 -11.876 -9.006 1.00 0.00 N ATOM 0 H LYS A 84 -0.029 -11.616 -3.371 1.00 0.00 H new ATOM 0 HA LYS A 84 0.600 -13.940 -4.850 1.00 0.00 H new ATOM 0 HB2 LYS A 84 1.112 -10.989 -5.128 1.00 0.00 H new ATOM 0 HB3 LYS A 84 1.912 -12.111 -6.211 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -1.043 -12.436 -5.853 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -0.494 -11.031 -6.745 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.721 -12.425 -8.331 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.425 -13.862 -7.373 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -1.137 -13.865 -9.216 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -2.041 -13.566 -7.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -2.707 -12.082 -9.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -2.051 -11.202 -8.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -1.130 -11.462 -9.646 1.00 0.00 H new ATOM 1342 N TYR A 85 3.104 -12.360 -3.366 1.00 0.00 N ATOM 1343 CA TYR A 85 4.482 -12.501 -2.917 1.00 0.00 C ATOM 1344 C TYR A 85 4.664 -13.747 -2.052 1.00 0.00 C ATOM 1345 O TYR A 85 5.555 -14.555 -2.316 1.00 0.00 O ATOM 1346 CB TYR A 85 4.952 -11.261 -2.159 1.00 0.00 C ATOM 1347 CG TYR A 85 6.447 -11.051 -2.256 1.00 0.00 C ATOM 1348 CD1 TYR A 85 7.103 -11.184 -3.476 1.00 0.00 C ATOM 1349 CD2 TYR A 85 7.204 -10.736 -1.135 1.00 0.00 C ATOM 1350 CE1 TYR A 85 8.468 -11.009 -3.575 1.00 0.00 C ATOM 1351 CE2 TYR A 85 8.571 -10.557 -1.228 1.00 0.00 C ATOM 1352 CZ TYR A 85 9.199 -10.695 -2.449 1.00 0.00 C ATOM 1353 OH TYR A 85 10.560 -10.519 -2.541 1.00 0.00 O ATOM 0 H TYR A 85 2.662 -11.477 -3.110 1.00 0.00 H new ATOM 0 HA TYR A 85 5.097 -12.611 -3.810 1.00 0.00 H new ATOM 0 HB2 TYR A 85 4.439 -10.383 -2.553 1.00 0.00 H new ATOM 0 HB3 TYR A 85 4.669 -11.352 -1.110 1.00 0.00 H new ATOM 0 HD1 TYR A 85 6.534 -11.428 -4.361 1.00 0.00 H new ATOM 0 HD2 TYR A 85 6.717 -10.629 -0.177 1.00 0.00 H new ATOM 0 HE1 TYR A 85 8.961 -11.117 -4.530 1.00 0.00 H new ATOM 0 HE2 TYR A 85 9.146 -10.310 -0.348 1.00 0.00 H new ATOM 0 HH TYR A 85 10.993 -10.898 -1.748 1.00 0.00 H new ATOM 1363 N ARG A 86 3.830 -13.918 -1.020 1.00 0.00 N ATOM 1364 CA ARG A 86 3.952 -15.090 -0.156 1.00 0.00 C ATOM 1365 C ARG A 86 3.808 -16.360 -0.984 1.00 0.00 C ATOM 1366 O ARG A 86 4.453 -17.373 -0.712 1.00 0.00 O ATOM 1367 CB ARG A 86 2.917 -15.055 0.974 1.00 0.00 C ATOM 1368 CG ARG A 86 1.484 -15.236 0.507 1.00 0.00 C ATOM 1369 CD ARG A 86 1.099 -16.705 0.437 1.00 0.00 C ATOM 1370 NE ARG A 86 0.317 -17.012 -0.759 1.00 0.00 N ATOM 1371 CZ ARG A 86 -0.943 -16.623 -0.942 1.00 0.00 C ATOM 1372 NH1 ARG A 86 -1.565 -15.909 -0.011 1.00 0.00 N ATOM 1373 NH2 ARG A 86 -1.582 -16.946 -2.058 1.00 0.00 N ATOM 0 H ARG A 86 3.080 -13.274 -0.769 1.00 0.00 H new ATOM 0 HA ARG A 86 4.940 -15.080 0.305 1.00 0.00 H new ATOM 0 HB2 ARG A 86 3.155 -15.838 1.694 1.00 0.00 H new ATOM 0 HB3 ARG A 86 3.000 -14.103 1.499 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.811 -14.715 1.187 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.361 -14.780 -0.475 1.00 0.00 H new ATOM 0 HD2 ARG A 86 2.001 -17.317 0.447 1.00 0.00 H new ATOM 0 HD3 ARG A 86 0.524 -16.971 1.324 1.00 0.00 H new ATOM 0 HE ARG A 86 0.763 -17.557 -1.497 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -1.077 -15.656 0.849 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -2.530 -15.613 -0.155 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -1.108 -17.493 -2.777 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -2.547 -16.648 -2.198 1.00 0.00 H new ATOM 1387 N ASP A 87 2.977 -16.283 -2.018 1.00 0.00 N ATOM 1388 CA ASP A 87 2.772 -17.413 -2.913 1.00 0.00 C ATOM 1389 C ASP A 87 4.056 -17.679 -3.692 1.00 0.00 C ATOM 1390 O ASP A 87 4.452 -18.826 -3.896 1.00 0.00 O ATOM 1391 CB ASP A 87 1.618 -17.133 -3.878 1.00 0.00 C ATOM 1392 CG ASP A 87 0.798 -18.373 -4.172 1.00 0.00 C ATOM 1393 OD1 ASP A 87 0.054 -18.821 -3.274 1.00 0.00 O ATOM 1394 OD2 ASP A 87 0.899 -18.898 -5.302 1.00 0.00 O ATOM 0 H ASP A 87 2.436 -15.451 -2.256 1.00 0.00 H new ATOM 0 HA ASP A 87 2.516 -18.293 -2.323 1.00 0.00 H new ATOM 0 HB2 ASP A 87 0.971 -16.365 -3.454 1.00 0.00 H new ATOM 0 HB3 ASP A 87 2.017 -16.734 -4.811 1.00 0.00 H new ATOM 1399 N PHE A 88 4.704 -16.595 -4.112 1.00 0.00 N ATOM 1400 CA PHE A 88 5.952 -16.675 -4.863 1.00 0.00 C ATOM 1401 C PHE A 88 7.082 -17.208 -3.984 1.00 0.00 C ATOM 1402 O PHE A 88 8.006 -17.858 -4.469 1.00 0.00 O ATOM 1403 CB PHE A 88 6.318 -15.289 -5.406 1.00 0.00 C ATOM 1404 CG PHE A 88 7.730 -15.179 -5.914 1.00 0.00 C ATOM 1405 CD1 PHE A 88 8.785 -14.976 -5.036 1.00 0.00 C ATOM 1406 CD2 PHE A 88 8.000 -15.276 -7.268 1.00 0.00 C ATOM 1407 CE1 PHE A 88 10.080 -14.869 -5.502 1.00 0.00 C ATOM 1408 CE2 PHE A 88 9.295 -15.171 -7.739 1.00 0.00 C ATOM 1409 CZ PHE A 88 10.335 -14.967 -6.854 1.00 0.00 C ATOM 0 H PHE A 88 4.381 -15.643 -3.942 1.00 0.00 H new ATOM 0 HA PHE A 88 5.813 -17.365 -5.695 1.00 0.00 H new ATOM 0 HB2 PHE A 88 5.632 -15.035 -6.214 1.00 0.00 H new ATOM 0 HB3 PHE A 88 6.169 -14.551 -4.618 1.00 0.00 H new ATOM 0 HD1 PHE A 88 8.591 -14.901 -3.976 1.00 0.00 H new ATOM 0 HD2 PHE A 88 7.190 -15.435 -7.964 1.00 0.00 H new ATOM 0 HE1 PHE A 88 10.893 -14.709 -4.809 1.00 0.00 H new ATOM 0 HE2 PHE A 88 9.493 -15.248 -8.798 1.00 0.00 H new ATOM 0 HZ PHE A 88 11.348 -14.884 -7.220 1.00 0.00 H new ATOM 1419 N LEU A 89 6.998 -16.925 -2.689 1.00 0.00 N ATOM 1420 CA LEU A 89 8.013 -17.374 -1.743 1.00 0.00 C ATOM 1421 C LEU A 89 7.864 -18.869 -1.464 1.00 0.00 C ATOM 1422 O LEU A 89 8.845 -19.614 -1.458 1.00 0.00 O ATOM 1423 CB LEU A 89 7.913 -16.586 -0.435 1.00 0.00 C ATOM 1424 CG LEU A 89 9.251 -16.285 0.242 1.00 0.00 C ATOM 1425 CD1 LEU A 89 9.027 -15.660 1.610 1.00 0.00 C ATOM 1426 CD2 LEU A 89 10.084 -17.552 0.364 1.00 0.00 C ATOM 0 H LEU A 89 6.239 -16.388 -2.271 1.00 0.00 H new ATOM 0 HA LEU A 89 8.993 -17.197 -2.186 1.00 0.00 H new ATOM 0 HB2 LEU A 89 7.404 -15.643 -0.634 1.00 0.00 H new ATOM 0 HB3 LEU A 89 7.288 -17.145 0.262 1.00 0.00 H new ATOM 0 HG LEU A 89 9.797 -15.573 -0.376 1.00 0.00 H new ATOM 0 HD11 LEU A 89 9.990 -15.453 2.077 1.00 0.00 H new ATOM 0 HD12 LEU A 89 8.470 -14.730 1.498 1.00 0.00 H new ATOM 0 HD13 LEU A 89 8.461 -16.349 2.237 1.00 0.00 H new ATOM 0 HD21 LEU A 89 11.032 -17.319 0.848 1.00 0.00 H new ATOM 0 HD22 LEU A 89 9.543 -18.287 0.960 1.00 0.00 H new ATOM 0 HD23 LEU A 89 10.274 -17.960 -0.629 1.00 0.00 H new ATOM 1438 N LYS A 90 6.626 -19.296 -1.239 1.00 0.00 N ATOM 1439 CA LYS A 90 6.324 -20.698 -0.963 1.00 0.00 C ATOM 1440 C LYS A 90 6.500 -21.553 -2.216 1.00 0.00 C ATOM 1441 O LYS A 90 6.775 -22.749 -2.132 1.00 0.00 O ATOM 1442 CB LYS A 90 4.896 -20.838 -0.434 1.00 0.00 C ATOM 1443 CG LYS A 90 4.730 -20.376 1.003 1.00 0.00 C ATOM 1444 CD LYS A 90 3.456 -20.928 1.623 1.00 0.00 C ATOM 1445 CE LYS A 90 2.345 -19.889 1.638 1.00 0.00 C ATOM 1446 NZ LYS A 90 1.292 -20.186 0.628 1.00 0.00 N ATOM 0 H LYS A 90 5.808 -18.686 -1.242 1.00 0.00 H new ATOM 0 HA LYS A 90 7.023 -21.051 -0.205 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.224 -20.263 -1.071 1.00 0.00 H new ATOM 0 HB3 LYS A 90 4.591 -21.882 -0.508 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.590 -20.696 1.591 1.00 0.00 H new ATOM 0 HG3 LYS A 90 4.709 -19.287 1.036 1.00 0.00 H new ATOM 0 HD2 LYS A 90 3.128 -21.804 1.063 1.00 0.00 H new ATOM 0 HD3 LYS A 90 3.660 -21.258 2.642 1.00 0.00 H new ATOM 0 HE2 LYS A 90 1.896 -19.852 2.630 1.00 0.00 H new ATOM 0 HE3 LYS A 90 2.767 -18.903 1.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 0.554 -19.455 0.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 1.715 -20.196 -0.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 0.871 -21.115 0.829 1.00 0.00 H new ATOM 1460 N SER A 91 6.340 -20.925 -3.375 1.00 0.00 N ATOM 1461 CA SER A 91 6.481 -21.621 -4.649 1.00 0.00 C ATOM 1462 C SER A 91 7.905 -21.499 -5.183 1.00 0.00 C ATOM 1463 O SER A 91 8.540 -22.498 -5.519 1.00 0.00 O ATOM 1464 CB SER A 91 5.491 -21.063 -5.673 1.00 0.00 C ATOM 1465 OG SER A 91 4.218 -21.671 -5.535 1.00 0.00 O ATOM 0 H SER A 91 6.112 -19.934 -3.459 1.00 0.00 H new ATOM 0 HA SER A 91 6.264 -22.676 -4.482 1.00 0.00 H new ATOM 0 HB2 SER A 91 5.398 -19.985 -5.544 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.871 -21.232 -6.681 1.00 0.00 H new ATOM 0 HG SER A 91 3.603 -21.296 -6.199 1.00 0.00 H new