USER MOD reduce.3.24.130724 H: found=0, std=0, add=521, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 523 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 67 MET CE :methyl -142:sc= 0 (180deg=0) USER MOD Set 1.2: A 70 GLN : amide:sc= -2.67! C(o=-2.7!,f=-4!) USER MOD Set 2.1: A 18 THR OG1 : rot 52:sc= 1.25 USER MOD Set 2.2: A 21 THR OG1 : rot 19:sc= 1.62 USER MOD Single : A 6 TYR OH : rot -138:sc= 1.28 USER MOD Single : A 8 CYS SG : rot 11:sc= -0.0871 USER MOD Single : A 17 THR OG1 : rot 5:sc= 0.6 USER MOD Single : A 20 GLN : amide:sc= -0.796! K(o=-0.8!,f=-0.0031) USER MOD Single : A 27 SER OG : rot 179:sc= 0.294 USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 35 SER OG : rot 108:sc= 1.31 USER MOD Single : A 36 LYS NZ :NH3+ 148:sc= 2 (180deg=0.127) USER MOD Single : A 39 ASN : amide:sc= -0.0698 K(o=-0.07,f=-0.96) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -165:sc= 1.14 (180deg=0.443) USER MOD Single : A 58 LYS NZ :NH3+ 172:sc= 1.34 (180deg=1.23) USER MOD Single : A 60 MET CE :methyl 156:sc= -0.165 (180deg=-0.874) USER MOD Single : A 68 ASN : amide:sc= 0.391 K(o=0.39,f=-8.1!) USER MOD Single : A 76 ASN : amide:sc= -0.267 X(o=-0.27,f=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -1 X(o=-1,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 68 N GLU A 5 10.813 8.994 0.910 1.00 0.00 N ATOM 69 CA GLU A 5 9.680 8.129 0.922 1.00 0.00 C ATOM 70 C GLU A 5 9.728 7.135 -0.205 1.00 0.00 C ATOM 71 O GLU A 5 10.299 7.404 -1.255 1.00 0.00 O ATOM 72 CB GLU A 5 8.366 8.929 0.938 1.00 0.00 C ATOM 73 CG GLU A 5 8.184 9.999 -0.141 1.00 0.00 C ATOM 74 CD GLU A 5 7.874 9.476 -1.549 1.00 0.00 C ATOM 75 OE1 GLU A 5 6.793 8.876 -1.740 1.00 0.00 O1- ATOM 76 OE2 GLU A 5 8.700 9.681 -2.480 1.00 0.00 O ATOM 0 HA GLU A 5 9.714 7.553 1.847 1.00 0.00 H new ATOM 0 HB2 GLU A 5 7.540 8.223 0.856 1.00 0.00 H new ATOM 0 HB3 GLU A 5 8.277 9.412 1.911 1.00 0.00 H new ATOM 0 HG2 GLU A 5 7.377 10.665 0.165 1.00 0.00 H new ATOM 0 HG3 GLU A 5 9.092 10.600 -0.188 1.00 0.00 H new ATOM 83 N TYR A 6 9.230 5.968 0.039 1.00 0.00 N ATOM 84 CA TYR A 6 9.051 5.008 -0.990 1.00 0.00 C ATOM 85 C TYR A 6 7.654 4.525 -1.029 1.00 0.00 C ATOM 86 O TYR A 6 7.253 3.593 -0.338 1.00 0.00 O ATOM 87 CB TYR A 6 10.103 3.919 -1.023 1.00 0.00 C ATOM 88 CG TYR A 6 11.306 4.394 -1.768 1.00 0.00 C ATOM 89 CD1 TYR A 6 11.220 4.570 -3.128 1.00 0.00 C ATOM 90 CD2 TYR A 6 12.484 4.727 -1.139 1.00 0.00 C ATOM 91 CE1 TYR A 6 12.257 5.047 -3.860 1.00 0.00 C ATOM 92 CE2 TYR A 6 13.539 5.227 -1.866 1.00 0.00 C ATOM 93 CZ TYR A 6 13.420 5.381 -3.228 1.00 0.00 C ATOM 94 OH TYR A 6 14.456 5.900 -3.954 1.00 0.00 O ATOM 0 H TYR A 6 8.935 5.656 0.964 1.00 0.00 H new ATOM 0 HA TYR A 6 9.224 5.523 -1.935 1.00 0.00 H new ATOM 0 HB2 TYR A 6 10.381 3.640 -0.007 1.00 0.00 H new ATOM 0 HB3 TYR A 6 9.699 3.026 -1.500 1.00 0.00 H new ATOM 0 HD1 TYR A 6 10.297 4.320 -3.630 1.00 0.00 H new ATOM 0 HD2 TYR A 6 12.580 4.595 -0.071 1.00 0.00 H new ATOM 0 HE1 TYR A 6 12.164 5.161 -4.930 1.00 0.00 H new ATOM 0 HE2 TYR A 6 14.459 5.498 -1.369 1.00 0.00 H new ATOM 0 HH TYR A 6 15.298 5.495 -3.658 1.00 0.00 H new ATOM 104 N ARG A 7 6.912 5.216 -1.809 1.00 0.00 N ATOM 105 CA ARG A 7 5.516 5.062 -1.919 1.00 0.00 C ATOM 106 C ARG A 7 5.159 3.960 -2.908 1.00 0.00 C ATOM 107 O ARG A 7 5.660 3.922 -4.037 1.00 0.00 O ATOM 108 CB ARG A 7 4.990 6.391 -2.385 1.00 0.00 C ATOM 109 CG ARG A 7 3.509 6.592 -2.273 1.00 0.00 C ATOM 110 CD ARG A 7 3.147 8.019 -2.649 1.00 0.00 C ATOM 111 NE ARG A 7 3.370 8.309 -4.079 1.00 0.00 N ATOM 112 CZ ARG A 7 4.286 9.176 -4.567 1.00 0.00 C ATOM 113 NH1 ARG A 7 5.336 9.553 -3.830 1.00 0.00 N1+ ATOM 114 NH2 ARG A 7 4.209 9.562 -5.841 1.00 0.00 N ATOM 0 H ARG A 7 7.284 5.943 -2.420 1.00 0.00 H new ATOM 0 HA ARG A 7 5.076 4.770 -0.965 1.00 0.00 H new ATOM 0 HB2 ARG A 7 5.486 7.175 -1.814 1.00 0.00 H new ATOM 0 HB3 ARG A 7 5.276 6.526 -3.428 1.00 0.00 H new ATOM 0 HG2 ARG A 7 2.989 5.892 -2.927 1.00 0.00 H new ATOM 0 HG3 ARG A 7 3.181 6.381 -1.255 1.00 0.00 H new ATOM 0 HD2 ARG A 7 2.100 8.199 -2.406 1.00 0.00 H new ATOM 0 HD3 ARG A 7 3.738 8.709 -2.047 1.00 0.00 H new ATOM 0 HE ARG A 7 2.786 7.815 -4.754 1.00 0.00 H new ATOM 0 HH11 ARG A 7 5.455 9.186 -2.886 1.00 0.00 H new ATOM 0 HH12 ARG A 7 6.018 10.208 -4.212 1.00 0.00 H new ATOM 0 HH21 ARG A 7 3.464 9.204 -6.438 1.00 0.00 H new ATOM 0 HH22 ARG A 7 4.895 10.216 -6.218 1.00 0.00 H new ATOM 128 N CYS A 8 4.314 3.084 -2.474 1.00 0.00 N ATOM 129 CA CYS A 8 3.821 1.995 -3.263 1.00 0.00 C ATOM 130 C CYS A 8 2.306 2.107 -3.295 1.00 0.00 C ATOM 131 O CYS A 8 1.700 2.371 -2.268 1.00 0.00 O ATOM 132 CB CYS A 8 4.246 0.681 -2.612 1.00 0.00 C ATOM 133 SG CYS A 8 3.733 -0.799 -3.486 1.00 0.00 S ATOM 0 H CYS A 8 3.933 3.104 -1.528 1.00 0.00 H new ATOM 0 HA CYS A 8 4.218 2.023 -4.278 1.00 0.00 H new ATOM 0 HB2 CYS A 8 5.332 0.673 -2.521 1.00 0.00 H new ATOM 0 HB3 CYS A 8 3.841 0.646 -1.601 1.00 0.00 H new ATOM 0 HG CYS A 8 3.284 -0.475 -4.662 1.00 0.00 H new ATOM 139 N PHE A 9 1.707 1.941 -4.449 1.00 0.00 N ATOM 140 CA PHE A 9 0.267 2.083 -4.588 1.00 0.00 C ATOM 141 C PHE A 9 -0.375 0.708 -4.538 1.00 0.00 C ATOM 142 O PHE A 9 0.114 -0.233 -5.175 1.00 0.00 O ATOM 143 CB PHE A 9 -0.062 2.780 -5.923 1.00 0.00 C ATOM 144 CG PHE A 9 -1.517 3.109 -6.145 1.00 0.00 C ATOM 145 CD1 PHE A 9 -2.380 2.181 -6.700 1.00 0.00 C ATOM 146 CD2 PHE A 9 -2.010 4.358 -5.815 1.00 0.00 C ATOM 147 CE1 PHE A 9 -3.703 2.487 -6.920 1.00 0.00 C ATOM 148 CE2 PHE A 9 -3.334 4.673 -6.036 1.00 0.00 C ATOM 149 CZ PHE A 9 -4.181 3.736 -6.590 1.00 0.00 C ATOM 0 H PHE A 9 2.193 1.706 -5.314 1.00 0.00 H new ATOM 0 HA PHE A 9 -0.125 2.692 -3.773 1.00 0.00 H new ATOM 0 HB2 PHE A 9 0.514 3.704 -5.982 1.00 0.00 H new ATOM 0 HB3 PHE A 9 0.276 2.141 -6.739 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -2.009 1.202 -6.965 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -1.351 5.095 -5.380 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.365 1.750 -7.350 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -3.707 5.652 -5.776 1.00 0.00 H new ATOM 0 HZ PHE A 9 -5.218 3.981 -6.765 1.00 0.00 H new ATOM 159 N VAL A 10 -1.448 0.573 -3.794 1.00 0.00 N ATOM 160 CA VAL A 10 -2.123 -0.694 -3.699 1.00 0.00 C ATOM 161 C VAL A 10 -3.602 -0.486 -4.010 1.00 0.00 C ATOM 162 O VAL A 10 -4.324 0.159 -3.261 1.00 0.00 O ATOM 163 CB VAL A 10 -1.981 -1.333 -2.280 1.00 0.00 C ATOM 164 CG1 VAL A 10 -2.540 -2.747 -2.265 1.00 0.00 C ATOM 165 CG2 VAL A 10 -0.531 -1.328 -1.801 1.00 0.00 C ATOM 0 H VAL A 10 -1.869 1.325 -3.248 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.664 -1.376 -4.415 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.561 -0.721 -1.589 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.430 -3.171 -1.267 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.596 -2.724 -2.535 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.995 -3.361 -2.982 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.473 -1.780 -0.811 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.084 -1.898 -2.497 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.167 -0.302 -1.753 1.00 0.00 H new ATOM 175 N GLY A 11 -4.037 -1.036 -5.092 1.00 0.00 N ATOM 176 CA GLY A 11 -5.397 -0.916 -5.490 1.00 0.00 C ATOM 177 C GLY A 11 -6.052 -2.252 -5.555 1.00 0.00 C ATOM 178 O GLY A 11 -5.379 -3.267 -5.742 1.00 0.00 O ATOM 0 H GLY A 11 -3.457 -1.584 -5.728 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -5.931 -0.279 -4.785 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -5.453 -0.431 -6.465 1.00 0.00 H new ATOM 182 N GLY A 12 -7.343 -2.271 -5.391 1.00 0.00 N ATOM 183 CA GLY A 12 -8.047 -3.508 -5.423 1.00 0.00 C ATOM 184 C GLY A 12 -8.031 -4.144 -4.073 1.00 0.00 C ATOM 185 O GLY A 12 -7.588 -5.256 -3.922 1.00 0.00 O ATOM 0 H GLY A 12 -7.922 -1.446 -5.235 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -9.076 -3.341 -5.743 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -7.591 -4.176 -6.153 1.00 0.00 H new ATOM 189 N LEU A 13 -8.492 -3.406 -3.107 1.00 0.00 N ATOM 190 CA LEU A 13 -8.573 -3.833 -1.729 1.00 0.00 C ATOM 191 C LEU A 13 -10.022 -4.131 -1.401 1.00 0.00 C ATOM 192 O LEU A 13 -10.905 -3.929 -2.253 1.00 0.00 O ATOM 193 CB LEU A 13 -8.039 -2.734 -0.810 1.00 0.00 C ATOM 194 CG LEU A 13 -6.568 -2.355 -1.001 1.00 0.00 C ATOM 195 CD1 LEU A 13 -6.219 -1.164 -0.157 1.00 0.00 C ATOM 196 CD2 LEU A 13 -5.670 -3.515 -0.636 1.00 0.00 C ATOM 0 H LEU A 13 -8.835 -2.457 -3.255 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.970 -4.728 -1.580 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.646 -1.840 -0.955 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.181 -3.051 0.223 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.416 -2.105 -2.051 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.170 -0.908 -0.305 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.843 -0.318 -0.446 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.390 -1.400 0.893 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.628 -3.227 -0.778 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.833 -3.787 0.407 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.901 -4.368 -1.274 1.00 0.00 H new ATOM 208 N ALA A 14 -10.283 -4.615 -0.216 1.00 0.00 N ATOM 209 CA ALA A 14 -11.623 -4.949 0.163 1.00 0.00 C ATOM 210 C ALA A 14 -12.248 -3.857 1.019 1.00 0.00 C ATOM 211 O ALA A 14 -11.686 -2.762 1.169 1.00 0.00 O ATOM 212 CB ALA A 14 -11.669 -6.303 0.830 1.00 0.00 C ATOM 0 H ALA A 14 -9.580 -4.786 0.503 1.00 0.00 H new ATOM 0 HA ALA A 14 -12.228 -5.015 -0.741 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -12.696 -6.536 1.109 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -11.300 -7.061 0.140 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -11.044 -6.290 1.723 1.00 0.00 H new ATOM 218 N TRP A 15 -13.405 -4.152 1.558 1.00 0.00 N ATOM 219 CA TRP A 15 -14.204 -3.181 2.273 1.00 0.00 C ATOM 220 C TRP A 15 -13.679 -2.952 3.690 1.00 0.00 C ATOM 221 O TRP A 15 -13.728 -1.828 4.203 1.00 0.00 O ATOM 222 CB TRP A 15 -15.665 -3.667 2.307 1.00 0.00 C ATOM 223 CG TRP A 15 -16.663 -2.663 2.819 1.00 0.00 C ATOM 224 CD1 TRP A 15 -16.977 -2.400 4.119 1.00 0.00 C ATOM 225 CD2 TRP A 15 -17.505 -1.817 2.027 1.00 0.00 C ATOM 226 NE1 TRP A 15 -17.946 -1.427 4.184 1.00 0.00 N ATOM 227 CE2 TRP A 15 -18.290 -1.056 2.913 1.00 0.00 C ATOM 228 CE3 TRP A 15 -17.665 -1.624 0.652 1.00 0.00 C ATOM 229 CZ2 TRP A 15 -19.221 -0.122 2.471 1.00 0.00 C ATOM 230 CZ3 TRP A 15 -18.590 -0.698 0.212 1.00 0.00 C ATOM 231 CH2 TRP A 15 -19.358 0.042 1.120 1.00 0.00 C ATOM 0 H TRP A 15 -13.825 -5.081 1.514 1.00 0.00 H new ATOM 0 HA TRP A 15 -14.144 -2.225 1.753 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -15.956 -3.963 1.299 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -15.720 -4.560 2.930 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -16.530 -2.885 4.974 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -18.344 -1.044 5.041 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -17.075 -2.189 -0.054 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -19.813 0.452 3.168 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -18.723 -0.542 -0.848 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -20.074 0.758 0.745 1.00 0.00 H new ATOM 242 N ALA A 16 -13.133 -3.991 4.296 1.00 0.00 N ATOM 243 CA ALA A 16 -12.741 -3.919 5.701 1.00 0.00 C ATOM 244 C ALA A 16 -11.261 -3.636 5.843 1.00 0.00 C ATOM 245 O ALA A 16 -10.738 -3.473 6.972 1.00 0.00 O ATOM 246 CB ALA A 16 -13.123 -5.201 6.430 1.00 0.00 C ATOM 0 H ALA A 16 -12.950 -4.888 3.847 1.00 0.00 H new ATOM 0 HA ALA A 16 -13.281 -3.091 6.160 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -12.823 -5.128 7.475 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -14.202 -5.345 6.371 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -12.618 -6.048 5.966 1.00 0.00 H new ATOM 252 N THR A 17 -10.592 -3.562 4.712 1.00 0.00 N ATOM 253 CA THR A 17 -9.206 -3.292 4.673 1.00 0.00 C ATOM 254 C THR A 17 -8.966 -1.887 5.241 1.00 0.00 C ATOM 255 O THR A 17 -9.460 -0.892 4.711 1.00 0.00 O ATOM 256 CB THR A 17 -8.706 -3.367 3.217 1.00 0.00 C ATOM 257 OG1 THR A 17 -9.192 -4.583 2.596 1.00 0.00 O ATOM 258 CG2 THR A 17 -7.184 -3.368 3.177 1.00 0.00 C ATOM 0 H THR A 17 -11.018 -3.692 3.794 1.00 0.00 H new ATOM 0 HA THR A 17 -8.662 -4.026 5.267 1.00 0.00 H new ATOM 0 HB THR A 17 -9.080 -2.497 2.678 1.00 0.00 H new ATOM 0 HG1 THR A 17 -9.790 -5.051 3.216 1.00 0.00 H new ATOM 0 HG21 THR A 17 -6.847 -3.421 2.142 1.00 0.00 H new ATOM 0 HG22 THR A 17 -6.807 -2.453 3.634 1.00 0.00 H new ATOM 0 HG23 THR A 17 -6.806 -4.230 3.726 1.00 0.00 H new ATOM 266 N THR A 18 -8.235 -1.824 6.314 1.00 0.00 N ATOM 267 CA THR A 18 -7.963 -0.593 6.978 1.00 0.00 C ATOM 268 C THR A 18 -6.506 -0.209 6.791 1.00 0.00 C ATOM 269 O THR A 18 -5.683 -1.060 6.455 1.00 0.00 O ATOM 270 CB THR A 18 -8.368 -0.692 8.460 1.00 0.00 C ATOM 271 OG1 THR A 18 -8.297 -2.074 8.879 1.00 0.00 O ATOM 272 CG2 THR A 18 -9.783 -0.170 8.667 1.00 0.00 C ATOM 0 H THR A 18 -7.808 -2.638 6.755 1.00 0.00 H new ATOM 0 HA THR A 18 -8.560 0.205 6.537 1.00 0.00 H new ATOM 0 HB THR A 18 -7.685 -0.085 9.054 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.417 -2.440 8.651 1.00 0.00 H new ATOM 0 HG21 THR A 18 -10.049 -0.249 9.721 1.00 0.00 H new ATOM 0 HG22 THR A 18 -9.835 0.874 8.357 1.00 0.00 H new ATOM 0 HG23 THR A 18 -10.479 -0.760 8.072 1.00 0.00 H new ATOM 280 N ASP A 19 -6.180 1.052 6.989 1.00 0.00 N ATOM 281 CA ASP A 19 -4.838 1.538 6.687 1.00 0.00 C ATOM 282 C ASP A 19 -3.825 0.970 7.658 1.00 0.00 C ATOM 283 O ASP A 19 -2.711 0.624 7.269 1.00 0.00 O ATOM 284 CB ASP A 19 -4.784 3.082 6.624 1.00 0.00 C ATOM 285 CG ASP A 19 -4.903 3.788 7.960 1.00 0.00 C ATOM 286 OD1 ASP A 19 -5.610 3.267 8.853 1.00 0.00 O ATOM 287 OD2 ASP A 19 -4.298 4.880 8.121 1.00 0.00 O1- ATOM 0 H ASP A 19 -6.817 1.759 7.355 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.572 1.181 5.692 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -3.844 3.378 6.158 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -5.586 3.431 5.974 1.00 0.00 H new ATOM 292 N GLN A 20 -4.237 0.838 8.902 1.00 0.00 N ATOM 293 CA GLN A 20 -3.420 0.244 9.948 1.00 0.00 C ATOM 294 C GLN A 20 -3.044 -1.204 9.587 1.00 0.00 C ATOM 295 O GLN A 20 -1.882 -1.591 9.645 1.00 0.00 O ATOM 296 CB GLN A 20 -4.174 0.245 11.288 1.00 0.00 C ATOM 297 CG GLN A 20 -4.667 1.613 11.779 1.00 0.00 C ATOM 298 CD GLN A 20 -3.568 2.657 11.866 1.00 0.00 C ATOM 299 OE1 GLN A 20 -2.878 2.759 12.872 1.00 0.00 O ATOM 300 NE2 GLN A 20 -3.468 3.493 10.864 1.00 0.00 N ATOM 0 H GLN A 20 -5.157 1.142 9.222 1.00 0.00 H new ATOM 0 HA GLN A 20 -2.513 0.841 10.041 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -5.034 -0.419 11.199 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -3.521 -0.179 12.051 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -5.446 1.972 11.107 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -5.123 1.495 12.762 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -4.060 3.376 10.042 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -2.798 4.261 10.906 1.00 0.00 H new ATOM 309 N THR A 21 -4.031 -1.979 9.161 1.00 0.00 N ATOM 310 CA THR A 21 -3.820 -3.377 8.847 1.00 0.00 C ATOM 311 C THR A 21 -3.066 -3.549 7.527 1.00 0.00 C ATOM 312 O THR A 21 -2.271 -4.478 7.373 1.00 0.00 O ATOM 313 CB THR A 21 -5.158 -4.143 8.834 1.00 0.00 C ATOM 314 OG1 THR A 21 -6.121 -3.400 8.078 1.00 0.00 O ATOM 315 CG2 THR A 21 -5.675 -4.350 10.252 1.00 0.00 C ATOM 0 H THR A 21 -4.989 -1.657 9.026 1.00 0.00 H new ATOM 0 HA THR A 21 -3.196 -3.804 9.632 1.00 0.00 H new ATOM 0 HB THR A 21 -4.998 -5.120 8.377 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.659 -2.754 7.504 1.00 0.00 H new ATOM 0 HG21 THR A 21 -6.620 -4.892 10.219 1.00 0.00 H new ATOM 0 HG22 THR A 21 -4.947 -4.924 10.825 1.00 0.00 H new ATOM 0 HG23 THR A 21 -5.829 -3.382 10.728 1.00 0.00 H new ATOM 323 N LEU A 22 -3.307 -2.631 6.591 1.00 0.00 N ATOM 324 CA LEU A 22 -2.610 -2.622 5.311 1.00 0.00 C ATOM 325 C LEU A 22 -1.124 -2.376 5.547 1.00 0.00 C ATOM 326 O LEU A 22 -0.276 -2.939 4.863 1.00 0.00 O ATOM 327 CB LEU A 22 -3.174 -1.522 4.396 1.00 0.00 C ATOM 328 CG LEU A 22 -2.598 -1.457 2.973 1.00 0.00 C ATOM 329 CD1 LEU A 22 -3.004 -2.681 2.165 1.00 0.00 C ATOM 330 CD2 LEU A 22 -3.023 -0.178 2.271 1.00 0.00 C ATOM 0 H LEU A 22 -3.987 -1.878 6.700 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.754 -3.587 4.825 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.253 -1.659 4.322 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.007 -0.558 4.877 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.511 -1.451 3.052 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.584 -2.611 1.162 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.629 -3.580 2.653 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.091 -2.730 2.100 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.602 -0.157 1.266 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.111 -0.141 2.209 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.662 0.683 2.833 1.00 0.00 H new ATOM 342 N GLY A 23 -0.832 -1.542 6.534 1.00 0.00 N ATOM 343 CA GLY A 23 0.530 -1.232 6.872 1.00 0.00 C ATOM 344 C GLY A 23 1.266 -2.438 7.382 1.00 0.00 C ATOM 345 O GLY A 23 2.228 -2.869 6.768 1.00 0.00 O ATOM 0 H GLY A 23 -1.530 -1.072 7.111 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.042 -0.838 5.994 1.00 0.00 H new ATOM 0 HA3 GLY A 23 0.547 -0.448 7.629 1.00 0.00 H new ATOM 349 N GLU A 24 0.741 -3.039 8.440 1.00 0.00 N ATOM 350 CA GLU A 24 1.374 -4.191 9.092 1.00 0.00 C ATOM 351 C GLU A 24 1.564 -5.379 8.165 1.00 0.00 C ATOM 352 O GLU A 24 2.491 -6.171 8.337 1.00 0.00 O ATOM 353 CB GLU A 24 0.638 -4.575 10.369 1.00 0.00 C ATOM 354 CG GLU A 24 0.798 -3.540 11.471 1.00 0.00 C ATOM 355 CD GLU A 24 2.255 -3.369 11.879 1.00 0.00 C ATOM 356 OE1 GLU A 24 3.007 -2.658 11.165 1.00 0.00 O1- ATOM 357 OE2 GLU A 24 2.658 -3.963 12.889 1.00 0.00 O ATOM 0 H GLU A 24 -0.134 -2.747 8.875 1.00 0.00 H new ATOM 0 HA GLU A 24 2.380 -3.874 9.368 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -0.422 -4.704 10.148 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.009 -5.537 10.723 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.401 -2.583 11.132 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.210 -3.839 12.339 1.00 0.00 H new ATOM 364 N ALA A 25 0.700 -5.496 7.173 1.00 0.00 N ATOM 365 CA ALA A 25 0.823 -6.539 6.176 1.00 0.00 C ATOM 366 C ALA A 25 2.141 -6.374 5.398 1.00 0.00 C ATOM 367 O ALA A 25 2.834 -7.342 5.102 1.00 0.00 O ATOM 368 CB ALA A 25 -0.367 -6.494 5.228 1.00 0.00 C ATOM 0 H ALA A 25 -0.099 -4.876 7.038 1.00 0.00 H new ATOM 0 HA ALA A 25 0.835 -7.509 6.674 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.267 -7.282 4.481 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -1.288 -6.644 5.792 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.400 -5.525 4.731 1.00 0.00 H new ATOM 374 N PHE A 26 2.484 -5.136 5.102 1.00 0.00 N ATOM 375 CA PHE A 26 3.690 -4.832 4.365 1.00 0.00 C ATOM 376 C PHE A 26 4.909 -4.628 5.256 1.00 0.00 C ATOM 377 O PHE A 26 6.040 -4.586 4.753 1.00 0.00 O ATOM 378 CB PHE A 26 3.506 -3.647 3.441 1.00 0.00 C ATOM 379 CG PHE A 26 2.584 -3.911 2.282 1.00 0.00 C ATOM 380 CD1 PHE A 26 3.045 -4.565 1.158 1.00 0.00 C ATOM 381 CD2 PHE A 26 1.264 -3.510 2.317 1.00 0.00 C ATOM 382 CE1 PHE A 26 2.210 -4.815 0.088 1.00 0.00 C ATOM 383 CE2 PHE A 26 0.421 -3.756 1.253 1.00 0.00 C ATOM 384 CZ PHE A 26 0.894 -4.408 0.136 1.00 0.00 C ATOM 0 H PHE A 26 1.936 -4.317 5.365 1.00 0.00 H new ATOM 0 HA PHE A 26 3.885 -5.717 3.759 1.00 0.00 H new ATOM 0 HB2 PHE A 26 3.117 -2.807 4.017 1.00 0.00 H new ATOM 0 HB3 PHE A 26 4.480 -3.345 3.056 1.00 0.00 H new ATOM 0 HD1 PHE A 26 4.075 -4.886 1.115 1.00 0.00 H new ATOM 0 HD2 PHE A 26 0.886 -2.997 3.189 1.00 0.00 H new ATOM 0 HE1 PHE A 26 2.587 -5.328 -0.784 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.610 -3.437 1.296 1.00 0.00 H new ATOM 0 HZ PHE A 26 0.236 -4.600 -0.699 1.00 0.00 H new ATOM 394 N SER A 27 4.698 -4.520 6.564 1.00 0.00 N ATOM 395 CA SER A 27 5.786 -4.326 7.531 1.00 0.00 C ATOM 396 C SER A 27 6.795 -5.499 7.524 1.00 0.00 C ATOM 397 O SER A 27 7.891 -5.393 8.066 1.00 0.00 O ATOM 398 CB SER A 27 5.219 -4.073 8.934 1.00 0.00 C ATOM 399 OG SER A 27 4.395 -2.916 8.928 1.00 0.00 O ATOM 0 H SER A 27 3.771 -4.564 6.988 1.00 0.00 H new ATOM 0 HA SER A 27 6.345 -3.442 7.224 1.00 0.00 H new ATOM 0 HB2 SER A 27 4.642 -4.938 9.263 1.00 0.00 H new ATOM 0 HB3 SER A 27 6.034 -3.944 9.646 1.00 0.00 H new ATOM 0 HG SER A 27 4.024 -2.774 9.824 1.00 0.00 H new ATOM 405 N GLN A 28 6.411 -6.603 6.894 1.00 0.00 N ATOM 406 CA GLN A 28 7.284 -7.749 6.734 1.00 0.00 C ATOM 407 C GLN A 28 8.408 -7.430 5.718 1.00 0.00 C ATOM 408 O GLN A 28 9.501 -7.989 5.783 1.00 0.00 O ATOM 409 CB GLN A 28 6.462 -8.965 6.275 1.00 0.00 C ATOM 410 CG GLN A 28 7.270 -10.242 6.090 1.00 0.00 C ATOM 411 CD GLN A 28 6.421 -11.424 5.668 1.00 0.00 C ATOM 412 OE1 GLN A 28 5.408 -11.278 5.011 1.00 0.00 O ATOM 413 NE2 GLN A 28 6.838 -12.609 6.043 1.00 0.00 N ATOM 0 H GLN A 28 5.486 -6.724 6.482 1.00 0.00 H new ATOM 0 HA GLN A 28 7.750 -7.983 7.691 1.00 0.00 H new ATOM 0 HB2 GLN A 28 5.674 -9.151 7.005 1.00 0.00 H new ATOM 0 HB3 GLN A 28 5.972 -8.721 5.333 1.00 0.00 H new ATOM 0 HG2 GLN A 28 8.043 -10.071 5.341 1.00 0.00 H new ATOM 0 HG3 GLN A 28 7.779 -10.482 7.024 1.00 0.00 H new ATOM 0 HE21 GLN A 28 7.692 -12.698 6.594 1.00 0.00 H new ATOM 0 HE22 GLN A 28 6.309 -13.441 5.784 1.00 0.00 H new ATOM 422 N PHE A 29 8.131 -6.503 4.811 1.00 0.00 N ATOM 423 CA PHE A 29 9.089 -6.120 3.779 1.00 0.00 C ATOM 424 C PHE A 29 9.967 -4.987 4.286 1.00 0.00 C ATOM 425 O PHE A 29 11.182 -4.937 3.996 1.00 0.00 O ATOM 426 CB PHE A 29 8.366 -5.679 2.498 1.00 0.00 C ATOM 427 CG PHE A 29 7.432 -6.713 1.937 1.00 0.00 C ATOM 428 CD1 PHE A 29 7.897 -7.709 1.104 1.00 0.00 C ATOM 429 CD2 PHE A 29 6.088 -6.685 2.252 1.00 0.00 C ATOM 430 CE1 PHE A 29 7.043 -8.658 0.595 1.00 0.00 C ATOM 431 CE2 PHE A 29 5.227 -7.632 1.748 1.00 0.00 C ATOM 432 CZ PHE A 29 5.708 -8.621 0.917 1.00 0.00 C ATOM 0 H PHE A 29 7.245 -5.999 4.768 1.00 0.00 H new ATOM 0 HA PHE A 29 9.708 -6.987 3.547 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.802 -4.770 2.706 1.00 0.00 H new ATOM 0 HB3 PHE A 29 9.109 -5.427 1.742 1.00 0.00 H new ATOM 0 HD1 PHE A 29 8.946 -7.744 0.848 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.708 -5.910 2.902 1.00 0.00 H new ATOM 0 HE1 PHE A 29 7.421 -9.432 -0.057 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.178 -7.601 2.002 1.00 0.00 H new ATOM 0 HZ PHE A 29 5.036 -9.367 0.519 1.00 0.00 H new ATOM 442 N GLY A 30 9.341 -4.063 4.995 1.00 0.00 N ATOM 443 CA GLY A 30 10.037 -2.953 5.612 1.00 0.00 C ATOM 444 C GLY A 30 9.061 -2.143 6.411 1.00 0.00 C ATOM 445 O GLY A 30 7.853 -2.293 6.201 1.00 0.00 O ATOM 0 H GLY A 30 8.334 -4.064 5.158 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.835 -3.321 6.256 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.505 -2.332 4.848 1.00 0.00 H new ATOM 449 N GLU A 31 9.547 -1.304 7.323 1.00 0.00 N ATOM 450 CA GLU A 31 8.669 -0.514 8.154 1.00 0.00 C ATOM 451 C GLU A 31 7.881 0.492 7.329 1.00 0.00 C ATOM 452 O GLU A 31 8.428 1.179 6.434 1.00 0.00 O ATOM 453 CB GLU A 31 9.417 0.232 9.267 1.00 0.00 C ATOM 454 CG GLU A 31 10.423 -0.593 10.050 1.00 0.00 C ATOM 455 CD GLU A 31 11.805 -0.442 9.486 1.00 0.00 C ATOM 456 OE1 GLU A 31 12.062 -0.915 8.359 1.00 0.00 O ATOM 457 OE2 GLU A 31 12.652 0.218 10.129 1.00 0.00 O1- ATOM 0 H GLU A 31 10.542 -1.160 7.498 1.00 0.00 H new ATOM 0 HA GLU A 31 7.986 -1.225 8.619 1.00 0.00 H new ATOM 0 HB2 GLU A 31 9.937 1.081 8.824 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.684 0.636 9.965 1.00 0.00 H new ATOM 0 HG2 GLU A 31 10.418 -0.282 11.095 1.00 0.00 H new ATOM 0 HG3 GLU A 31 10.131 -1.643 10.029 1.00 0.00 H new ATOM 464 N ILE A 32 6.620 0.566 7.627 1.00 0.00 N ATOM 465 CA ILE A 32 5.710 1.467 6.991 1.00 0.00 C ATOM 466 C ILE A 32 5.744 2.801 7.724 1.00 0.00 C ATOM 467 O ILE A 32 5.674 2.841 8.947 1.00 0.00 O ATOM 468 CB ILE A 32 4.274 0.875 7.032 1.00 0.00 C ATOM 469 CG1 ILE A 32 4.222 -0.458 6.280 1.00 0.00 C ATOM 470 CG2 ILE A 32 3.247 1.844 6.467 1.00 0.00 C ATOM 471 CD1 ILE A 32 4.547 -0.352 4.807 1.00 0.00 C ATOM 0 H ILE A 32 6.183 -0.017 8.341 1.00 0.00 H new ATOM 0 HA ILE A 32 6.000 1.614 5.951 1.00 0.00 H new ATOM 0 HB ILE A 32 4.021 0.701 8.078 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.921 -1.153 6.746 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.226 -0.886 6.391 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.256 1.392 6.514 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.254 2.764 7.052 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.493 2.071 5.430 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.488 -1.339 4.349 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.833 0.315 4.324 1.00 0.00 H new ATOM 0 HD13 ILE A 32 5.555 0.045 4.684 1.00 0.00 H new ATOM 483 N LEU A 33 5.886 3.874 6.978 1.00 0.00 N ATOM 484 CA LEU A 33 5.902 5.200 7.561 1.00 0.00 C ATOM 485 C LEU A 33 4.471 5.683 7.753 1.00 0.00 C ATOM 486 O LEU A 33 4.149 6.334 8.736 1.00 0.00 O ATOM 487 CB LEU A 33 6.712 6.173 6.692 1.00 0.00 C ATOM 488 CG LEU A 33 8.174 5.767 6.402 1.00 0.00 C ATOM 489 CD1 LEU A 33 8.888 6.862 5.625 1.00 0.00 C ATOM 490 CD2 LEU A 33 8.934 5.426 7.693 1.00 0.00 C ATOM 0 H LEU A 33 5.992 3.856 5.964 1.00 0.00 H new ATOM 0 HA LEU A 33 6.391 5.159 8.534 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.195 6.296 5.741 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.717 7.147 7.181 1.00 0.00 H new ATOM 0 HG LEU A 33 8.153 4.866 5.790 1.00 0.00 H new ATOM 0 HD11 LEU A 33 9.916 6.558 5.430 1.00 0.00 H new ATOM 0 HD12 LEU A 33 8.374 7.031 4.679 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.886 7.783 6.209 1.00 0.00 H new ATOM 0 HD21 LEU A 33 9.958 5.145 7.449 1.00 0.00 H new ATOM 0 HD22 LEU A 33 8.943 6.295 8.350 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.440 4.595 8.197 1.00 0.00 H new ATOM 502 N ASP A 34 3.631 5.327 6.795 1.00 0.00 N ATOM 503 CA ASP A 34 2.188 5.583 6.817 1.00 0.00 C ATOM 504 C ASP A 34 1.576 4.808 5.677 1.00 0.00 C ATOM 505 O ASP A 34 2.207 4.641 4.627 1.00 0.00 O ATOM 506 CB ASP A 34 1.826 7.084 6.676 1.00 0.00 C ATOM 507 CG ASP A 34 0.307 7.331 6.743 1.00 0.00 C ATOM 508 OD1 ASP A 34 -0.369 7.271 5.698 1.00 0.00 O ATOM 509 OD2 ASP A 34 -0.239 7.558 7.846 1.00 0.00 O1- ATOM 0 H ASP A 34 3.936 4.838 5.954 1.00 0.00 H new ATOM 0 HA ASP A 34 1.800 5.269 7.786 1.00 0.00 H new ATOM 0 HB2 ASP A 34 2.318 7.649 7.467 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.211 7.460 5.728 1.00 0.00 H new ATOM 514 N SER A 35 0.432 4.278 5.893 1.00 0.00 N ATOM 515 CA SER A 35 -0.290 3.547 4.902 1.00 0.00 C ATOM 516 C SER A 35 -1.694 4.088 4.862 1.00 0.00 C ATOM 517 O SER A 35 -2.193 4.529 5.885 1.00 0.00 O ATOM 518 CB SER A 35 -0.257 2.070 5.265 1.00 0.00 C ATOM 519 OG SER A 35 -0.426 1.902 6.667 1.00 0.00 O ATOM 0 H SER A 35 -0.050 4.338 6.790 1.00 0.00 H new ATOM 0 HA SER A 35 0.153 3.656 3.912 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.045 1.540 4.731 1.00 0.00 H new ATOM 0 HB3 SER A 35 0.691 1.633 4.951 1.00 0.00 H new ATOM 0 HG SER A 35 -1.317 1.537 6.848 1.00 0.00 H new ATOM 525 N LYS A 36 -2.325 4.099 3.707 1.00 0.00 N ATOM 526 CA LYS A 36 -3.644 4.680 3.602 1.00 0.00 C ATOM 527 C LYS A 36 -4.601 3.904 2.771 1.00 0.00 C ATOM 528 O LYS A 36 -4.242 3.334 1.748 1.00 0.00 O ATOM 529 CB LYS A 36 -3.588 6.125 3.092 1.00 0.00 C ATOM 530 CG LYS A 36 -3.167 7.111 4.141 1.00 0.00 C ATOM 531 CD LYS A 36 -4.248 7.260 5.204 1.00 0.00 C ATOM 532 CE LYS A 36 -3.690 7.886 6.445 1.00 0.00 C ATOM 533 NZ LYS A 36 -2.750 6.964 7.138 1.00 0.00 N1+ ATOM 0 H LYS A 36 -1.951 3.717 2.838 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.025 4.657 4.623 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.894 6.180 2.253 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.570 6.407 2.712 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.237 6.782 4.604 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.968 8.078 3.679 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -5.063 7.872 4.817 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.668 6.283 5.441 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.173 8.811 6.188 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.504 8.153 7.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -2.008 7.517 7.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.270 6.405 7.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -2.314 6.325 6.443 1.00 0.00 H new ATOM 547 N ILE A 37 -5.817 3.880 3.252 1.00 0.00 N ATOM 548 CA ILE A 37 -6.951 3.415 2.518 1.00 0.00 C ATOM 549 C ILE A 37 -7.675 4.665 2.173 1.00 0.00 C ATOM 550 O ILE A 37 -7.939 5.492 3.058 1.00 0.00 O ATOM 551 CB ILE A 37 -7.897 2.526 3.368 1.00 0.00 C ATOM 552 CG1 ILE A 37 -7.160 1.314 3.905 1.00 0.00 C ATOM 553 CG2 ILE A 37 -9.134 2.095 2.564 1.00 0.00 C ATOM 554 CD1 ILE A 37 -6.582 0.413 2.853 1.00 0.00 C ATOM 0 H ILE A 37 -6.046 4.195 4.195 1.00 0.00 H new ATOM 0 HA ILE A 37 -6.640 2.806 1.669 1.00 0.00 H new ATOM 0 HB ILE A 37 -8.240 3.123 4.213 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -6.354 1.655 4.555 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -7.845 0.734 4.524 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -9.776 1.474 3.189 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -9.686 2.979 2.243 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -8.819 1.527 1.689 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -6.075 -0.425 3.331 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -7.383 0.037 2.216 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -5.868 0.972 2.247 1.00 0.00 H new ATOM 566 N ILE A 38 -7.946 4.859 0.946 1.00 0.00 N ATOM 567 CA ILE A 38 -8.557 6.069 0.555 1.00 0.00 C ATOM 568 C ILE A 38 -10.064 5.934 0.600 1.00 0.00 C ATOM 569 O ILE A 38 -10.670 5.090 -0.092 1.00 0.00 O ATOM 570 CB ILE A 38 -8.007 6.563 -0.802 1.00 0.00 C ATOM 571 CG1 ILE A 38 -6.457 6.753 -0.680 1.00 0.00 C ATOM 572 CG2 ILE A 38 -8.700 7.855 -1.251 1.00 0.00 C ATOM 573 CD1 ILE A 38 -5.995 7.740 0.413 1.00 0.00 C ATOM 0 H ILE A 38 -7.757 4.199 0.192 1.00 0.00 H new ATOM 0 HA ILE A 38 -8.299 6.852 1.268 1.00 0.00 H new ATOM 0 HB ILE A 38 -8.217 5.818 -1.569 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -6.003 5.782 -0.484 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -6.073 7.096 -1.641 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -8.289 8.174 -2.209 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -9.770 7.676 -1.357 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -8.534 8.634 -0.507 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -4.907 7.799 0.414 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -6.411 8.727 0.212 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -6.340 7.392 1.387 1.00 0.00 H new ATOM 585 N ASN A 39 -10.650 6.722 1.474 1.00 0.00 N ATOM 586 CA ASN A 39 -12.067 6.701 1.701 1.00 0.00 C ATOM 587 C ASN A 39 -12.828 7.481 0.659 1.00 0.00 C ATOM 588 O ASN A 39 -12.276 8.321 -0.066 1.00 0.00 O ATOM 589 CB ASN A 39 -12.461 7.113 3.145 1.00 0.00 C ATOM 590 CG ASN A 39 -11.883 8.447 3.623 1.00 0.00 C ATOM 591 OD1 ASN A 39 -11.607 9.359 2.843 1.00 0.00 O ATOM 592 ND2 ASN A 39 -11.708 8.573 4.915 1.00 0.00 N ATOM 0 H ASN A 39 -10.147 7.398 2.049 1.00 0.00 H new ATOM 0 HA ASN A 39 -12.366 5.658 1.595 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -13.548 7.163 3.207 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -12.138 6.329 3.830 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -11.335 9.442 5.297 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -11.945 7.802 5.539 1.00 0.00 H new ATOM 706 N ARG A 47 -12.950 2.936 -0.697 1.00 0.00 N ATOM 707 CA ARG A 47 -13.022 2.860 -2.161 1.00 0.00 C ATOM 708 C ARG A 47 -12.260 1.674 -2.709 1.00 0.00 C ATOM 709 O ARG A 47 -12.174 1.487 -3.918 1.00 0.00 O ATOM 710 CB ARG A 47 -12.600 4.151 -2.862 1.00 0.00 C ATOM 711 CG ARG A 47 -13.502 5.325 -2.568 1.00 0.00 C ATOM 712 CD ARG A 47 -13.292 6.468 -3.553 1.00 0.00 C ATOM 713 NE ARG A 47 -13.620 6.072 -4.945 1.00 0.00 N ATOM 714 CZ ARG A 47 -14.764 6.408 -5.604 1.00 0.00 C ATOM 715 NH1 ARG A 47 -15.761 6.975 -4.976 1.00 0.00 N1+ ATOM 716 NH2 ARG A 47 -14.913 6.115 -6.893 1.00 0.00 N ATOM 0 HA ARG A 47 -14.079 2.717 -2.386 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -11.583 4.402 -2.561 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -12.581 3.980 -3.938 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -14.542 5.001 -2.605 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -13.315 5.681 -1.555 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -13.912 7.316 -3.262 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -12.255 6.801 -3.506 1.00 0.00 H new ATOM 0 HE ARG A 47 -12.937 5.505 -5.447 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -15.689 7.172 -3.978 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -16.611 7.220 -5.484 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -14.167 5.635 -7.396 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -15.773 6.371 -7.378 1.00 0.00 H new ATOM 730 N GLY A 48 -11.701 0.891 -1.814 1.00 0.00 N ATOM 731 CA GLY A 48 -11.042 -0.327 -2.201 1.00 0.00 C ATOM 732 C GLY A 48 -9.671 -0.118 -2.790 1.00 0.00 C ATOM 733 O GLY A 48 -9.265 -0.855 -3.693 1.00 0.00 O ATOM 0 H GLY A 48 -11.692 1.080 -0.812 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -10.957 -0.976 -1.329 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -11.663 -0.850 -2.928 1.00 0.00 H new ATOM 737 N PHE A 49 -8.948 0.871 -2.303 1.00 0.00 N ATOM 738 CA PHE A 49 -7.588 1.094 -2.748 1.00 0.00 C ATOM 739 C PHE A 49 -6.905 2.064 -1.801 1.00 0.00 C ATOM 740 O PHE A 49 -7.564 2.671 -0.931 1.00 0.00 O ATOM 741 CB PHE A 49 -7.528 1.629 -4.209 1.00 0.00 C ATOM 742 CG PHE A 49 -7.846 3.079 -4.378 1.00 0.00 C ATOM 743 CD1 PHE A 49 -9.147 3.546 -4.358 1.00 0.00 C ATOM 744 CD2 PHE A 49 -6.816 3.976 -4.547 1.00 0.00 C ATOM 745 CE1 PHE A 49 -9.411 4.894 -4.505 1.00 0.00 C ATOM 746 CE2 PHE A 49 -7.067 5.325 -4.692 1.00 0.00 C ATOM 747 CZ PHE A 49 -8.368 5.786 -4.672 1.00 0.00 C ATOM 0 H PHE A 49 -9.279 1.532 -1.600 1.00 0.00 H new ATOM 0 HA PHE A 49 -7.067 0.136 -2.740 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -6.528 1.446 -4.603 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -8.222 1.050 -4.818 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -9.964 2.851 -4.226 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -5.797 3.619 -4.566 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -10.430 5.250 -4.489 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -6.249 6.018 -4.821 1.00 0.00 H new ATOM 0 HZ PHE A 49 -8.571 6.841 -4.786 1.00 0.00 H new ATOM 757 N GLY A 50 -5.622 2.193 -1.955 1.00 0.00 N ATOM 758 CA GLY A 50 -4.852 3.107 -1.193 1.00 0.00 C ATOM 759 C GLY A 50 -3.409 2.998 -1.575 1.00 0.00 C ATOM 760 O GLY A 50 -3.093 2.668 -2.721 1.00 0.00 O ATOM 0 H GLY A 50 -5.078 1.653 -2.628 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.206 4.124 -1.362 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.973 2.900 -0.130 1.00 0.00 H new ATOM 764 N PHE A 51 -2.536 3.255 -0.653 1.00 0.00 N ATOM 765 CA PHE A 51 -1.119 3.150 -0.909 1.00 0.00 C ATOM 766 C PHE A 51 -0.373 2.975 0.410 1.00 0.00 C ATOM 767 O PHE A 51 -0.951 3.180 1.485 1.00 0.00 O ATOM 768 CB PHE A 51 -0.593 4.396 -1.681 1.00 0.00 C ATOM 769 CG PHE A 51 -0.548 5.676 -0.888 1.00 0.00 C ATOM 770 CD1 PHE A 51 -1.683 6.441 -0.692 1.00 0.00 C ATOM 771 CD2 PHE A 51 0.646 6.106 -0.345 1.00 0.00 C ATOM 772 CE1 PHE A 51 -1.625 7.613 0.039 1.00 0.00 C ATOM 773 CE2 PHE A 51 0.715 7.272 0.384 1.00 0.00 C ATOM 774 CZ PHE A 51 -0.423 8.028 0.579 1.00 0.00 C ATOM 0 H PHE A 51 -2.775 3.543 0.296 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.941 2.278 -1.538 1.00 0.00 H new ATOM 0 HB2 PHE A 51 0.411 4.179 -2.046 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.223 4.553 -2.556 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -2.624 6.120 -1.114 1.00 0.00 H new ATOM 0 HD2 PHE A 51 1.540 5.519 -0.494 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -2.517 8.203 0.188 1.00 0.00 H new ATOM 0 HE2 PHE A 51 1.657 7.594 0.802 1.00 0.00 H new ATOM 0 HZ PHE A 51 -0.374 8.942 1.152 1.00 0.00 H new ATOM 784 N VAL A 52 0.879 2.585 0.334 1.00 0.00 N ATOM 785 CA VAL A 52 1.717 2.434 1.504 1.00 0.00 C ATOM 786 C VAL A 52 3.020 3.198 1.308 1.00 0.00 C ATOM 787 O VAL A 52 3.541 3.286 0.186 1.00 0.00 O ATOM 788 CB VAL A 52 2.019 0.937 1.865 1.00 0.00 C ATOM 789 CG1 VAL A 52 0.754 0.193 2.246 1.00 0.00 C ATOM 790 CG2 VAL A 52 2.724 0.215 0.729 1.00 0.00 C ATOM 0 H VAL A 52 1.348 2.362 -0.544 1.00 0.00 H new ATOM 0 HA VAL A 52 1.160 2.848 2.345 1.00 0.00 H new ATOM 0 HB VAL A 52 2.687 0.951 2.727 1.00 0.00 H new ATOM 0 HG11 VAL A 52 0.999 -0.841 2.490 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.297 0.672 3.112 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.055 0.212 1.410 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.916 -0.818 1.018 1.00 0.00 H new ATOM 0 HG22 VAL A 52 2.093 0.232 -0.160 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.669 0.712 0.513 1.00 0.00 H new ATOM 800 N THR A 53 3.506 3.783 2.358 1.00 0.00 N ATOM 801 CA THR A 53 4.729 4.525 2.322 1.00 0.00 C ATOM 802 C THR A 53 5.829 3.785 3.078 1.00 0.00 C ATOM 803 O THR A 53 5.721 3.555 4.284 1.00 0.00 O ATOM 804 CB THR A 53 4.523 5.917 2.952 1.00 0.00 C ATOM 805 OG1 THR A 53 3.499 6.624 2.235 1.00 0.00 O ATOM 806 CG2 THR A 53 5.821 6.725 2.961 1.00 0.00 C ATOM 0 H THR A 53 3.060 3.759 3.275 1.00 0.00 H new ATOM 0 HA THR A 53 5.029 4.638 1.280 1.00 0.00 H new ATOM 0 HB THR A 53 4.213 5.782 3.988 1.00 0.00 H new ATOM 0 HG1 THR A 53 3.368 7.508 2.638 1.00 0.00 H new ATOM 0 HG21 THR A 53 5.639 7.701 3.412 1.00 0.00 H new ATOM 0 HG22 THR A 53 6.577 6.193 3.539 1.00 0.00 H new ATOM 0 HG23 THR A 53 6.174 6.858 1.938 1.00 0.00 H new ATOM 814 N PHE A 54 6.847 3.395 2.366 1.00 0.00 N ATOM 815 CA PHE A 54 8.017 2.793 2.948 1.00 0.00 C ATOM 816 C PHE A 54 9.099 3.843 3.063 1.00 0.00 C ATOM 817 O PHE A 54 8.953 4.946 2.547 1.00 0.00 O ATOM 818 CB PHE A 54 8.560 1.670 2.068 1.00 0.00 C ATOM 819 CG PHE A 54 7.706 0.445 1.952 1.00 0.00 C ATOM 820 CD1 PHE A 54 7.762 -0.546 2.918 1.00 0.00 C ATOM 821 CD2 PHE A 54 6.879 0.260 0.859 1.00 0.00 C ATOM 822 CE1 PHE A 54 7.010 -1.692 2.795 1.00 0.00 C ATOM 823 CE2 PHE A 54 6.123 -0.880 0.736 1.00 0.00 C ATOM 824 CZ PHE A 54 6.190 -1.857 1.702 1.00 0.00 C ATOM 0 H PHE A 54 6.891 3.486 1.351 1.00 0.00 H new ATOM 0 HA PHE A 54 7.740 2.387 3.921 1.00 0.00 H new ATOM 0 HB2 PHE A 54 8.724 2.069 1.067 1.00 0.00 H new ATOM 0 HB3 PHE A 54 9.534 1.372 2.456 1.00 0.00 H new ATOM 0 HD1 PHE A 54 8.403 -0.418 3.778 1.00 0.00 H new ATOM 0 HD2 PHE A 54 6.827 1.020 0.094 1.00 0.00 H new ATOM 0 HE1 PHE A 54 7.063 -2.459 3.553 1.00 0.00 H new ATOM 0 HE2 PHE A 54 5.476 -1.009 -0.119 1.00 0.00 H new ATOM 0 HZ PHE A 54 5.598 -2.755 1.603 1.00 0.00 H new ATOM 834 N LYS A 55 10.164 3.499 3.733 1.00 0.00 N ATOM 835 CA LYS A 55 11.335 4.357 3.842 1.00 0.00 C ATOM 836 C LYS A 55 12.455 3.773 2.974 1.00 0.00 C ATOM 837 O LYS A 55 13.426 4.432 2.638 1.00 0.00 O ATOM 838 CB LYS A 55 11.828 4.337 5.286 1.00 0.00 C ATOM 839 CG LYS A 55 12.259 2.947 5.716 1.00 0.00 C ATOM 840 CD LYS A 55 12.988 2.896 7.028 1.00 0.00 C ATOM 841 CE LYS A 55 13.531 1.498 7.188 1.00 0.00 C ATOM 842 NZ LYS A 55 14.256 1.274 8.451 1.00 0.00 N1+ ATOM 0 H LYS A 55 10.255 2.611 4.226 1.00 0.00 H new ATOM 0 HA LYS A 55 11.078 5.369 3.528 1.00 0.00 H new ATOM 0 HB2 LYS A 55 12.665 5.027 5.394 1.00 0.00 H new ATOM 0 HB3 LYS A 55 11.036 4.692 5.945 1.00 0.00 H new ATOM 0 HG2 LYS A 55 11.376 2.311 5.781 1.00 0.00 H new ATOM 0 HG3 LYS A 55 12.900 2.524 4.942 1.00 0.00 H new ATOM 0 HD2 LYS A 55 13.797 3.626 7.046 1.00 0.00 H new ATOM 0 HD3 LYS A 55 12.316 3.143 7.850 1.00 0.00 H new ATOM 0 HE2 LYS A 55 12.705 0.790 7.126 1.00 0.00 H new ATOM 0 HE3 LYS A 55 14.200 1.282 6.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 14.808 0.395 8.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 14.897 2.073 8.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 13.575 1.195 9.233 1.00 0.00 H new ATOM 856 N ASP A 56 12.285 2.516 2.632 1.00 0.00 N ATOM 857 CA ASP A 56 13.319 1.729 1.997 1.00 0.00 C ATOM 858 C ASP A 56 12.972 1.394 0.571 1.00 0.00 C ATOM 859 O ASP A 56 11.811 1.066 0.253 1.00 0.00 O ATOM 860 CB ASP A 56 13.594 0.466 2.836 1.00 0.00 C ATOM 861 CG ASP A 56 14.445 -0.569 2.137 1.00 0.00 C ATOM 862 OD1 ASP A 56 15.444 -0.214 1.516 1.00 0.00 O1- ATOM 863 OD2 ASP A 56 14.057 -1.751 2.154 1.00 0.00 O ATOM 0 H ASP A 56 11.416 2.005 2.788 1.00 0.00 H new ATOM 0 HA ASP A 56 14.232 2.322 1.954 1.00 0.00 H new ATOM 0 HB2 ASP A 56 14.087 0.759 3.763 1.00 0.00 H new ATOM 0 HB3 ASP A 56 12.642 0.012 3.111 1.00 0.00 H new ATOM 868 N GLU A 57 13.979 1.453 -0.268 1.00 0.00 N ATOM 869 CA GLU A 57 13.849 1.252 -1.688 1.00 0.00 C ATOM 870 C GLU A 57 13.619 -0.216 -1.953 1.00 0.00 C ATOM 871 O GLU A 57 12.809 -0.588 -2.827 1.00 0.00 O ATOM 872 CB GLU A 57 15.120 1.707 -2.399 1.00 0.00 C ATOM 873 CG GLU A 57 15.723 2.939 -1.806 1.00 0.00 C ATOM 874 CD GLU A 57 16.838 3.526 -2.638 1.00 0.00 C ATOM 875 OE1 GLU A 57 17.967 3.025 -2.561 1.00 0.00 O1- ATOM 876 OE2 GLU A 57 16.568 4.507 -3.380 1.00 0.00 O ATOM 0 H GLU A 57 14.936 1.647 0.028 1.00 0.00 H new ATOM 0 HA GLU A 57 13.008 1.835 -2.064 1.00 0.00 H new ATOM 0 HB2 GLU A 57 15.853 0.901 -2.368 1.00 0.00 H new ATOM 0 HB3 GLU A 57 14.894 1.891 -3.449 1.00 0.00 H new ATOM 0 HG2 GLU A 57 14.943 3.689 -1.677 1.00 0.00 H new ATOM 0 HG3 GLU A 57 16.107 2.704 -0.813 1.00 0.00 H new ATOM 883 N LYS A 58 14.300 -1.059 -1.162 1.00 0.00 N ATOM 884 CA LYS A 58 14.151 -2.488 -1.279 1.00 0.00 C ATOM 885 C LYS A 58 12.732 -2.840 -0.938 1.00 0.00 C ATOM 886 O LYS A 58 12.020 -3.346 -1.764 1.00 0.00 O ATOM 887 CB LYS A 58 15.076 -3.250 -0.320 1.00 0.00 C ATOM 888 CG LYS A 58 14.891 -4.768 -0.393 1.00 0.00 C ATOM 889 CD LYS A 58 15.376 -5.490 0.866 1.00 0.00 C ATOM 890 CE LYS A 58 14.525 -5.139 2.105 1.00 0.00 C ATOM 891 NZ LYS A 58 13.069 -5.396 1.894 1.00 0.00 N1+ ATOM 0 H LYS A 58 14.955 -0.760 -0.440 1.00 0.00 H new ATOM 0 HA LYS A 58 14.412 -2.772 -2.298 1.00 0.00 H new ATOM 0 HB2 LYS A 58 16.112 -3.004 -0.551 1.00 0.00 H new ATOM 0 HB3 LYS A 58 14.889 -2.915 0.700 1.00 0.00 H new ATOM 0 HG2 LYS A 58 13.836 -4.993 -0.551 1.00 0.00 H new ATOM 0 HG3 LYS A 58 15.432 -5.153 -1.257 1.00 0.00 H new ATOM 0 HD2 LYS A 58 15.345 -6.567 0.700 1.00 0.00 H new ATOM 0 HD3 LYS A 58 16.416 -5.226 1.056 1.00 0.00 H new ATOM 0 HE2 LYS A 58 14.873 -5.722 2.957 1.00 0.00 H new ATOM 0 HE3 LYS A 58 14.672 -4.089 2.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.561 -5.274 2.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 12.696 -4.725 1.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 12.934 -6.368 1.549 1.00 0.00 H new ATOM 905 N ALA A 59 12.337 -2.497 0.290 1.00 0.00 N ATOM 906 CA ALA A 59 11.018 -2.773 0.852 1.00 0.00 C ATOM 907 C ALA A 59 9.896 -2.378 -0.073 1.00 0.00 C ATOM 908 O ALA A 59 8.931 -3.117 -0.205 1.00 0.00 O ATOM 909 CB ALA A 59 10.860 -2.066 2.180 1.00 0.00 C ATOM 0 H ALA A 59 12.949 -2.003 0.940 1.00 0.00 H new ATOM 0 HA ALA A 59 10.954 -3.852 0.994 1.00 0.00 H new ATOM 0 HB1 ALA A 59 9.873 -2.279 2.590 1.00 0.00 H new ATOM 0 HB2 ALA A 59 11.624 -2.418 2.873 1.00 0.00 H new ATOM 0 HB3 ALA A 59 10.969 -0.991 2.035 1.00 0.00 H new ATOM 915 N MET A 60 10.036 -1.233 -0.730 1.00 0.00 N ATOM 916 CA MET A 60 9.012 -0.779 -1.656 1.00 0.00 C ATOM 917 C MET A 60 8.834 -1.777 -2.784 1.00 0.00 C ATOM 918 O MET A 60 7.754 -2.299 -3.001 1.00 0.00 O ATOM 919 CB MET A 60 9.396 0.544 -2.273 1.00 0.00 C ATOM 920 CG MET A 60 8.337 1.095 -3.225 1.00 0.00 C ATOM 921 SD MET A 60 8.994 2.302 -4.386 1.00 0.00 S ATOM 922 CE MET A 60 10.098 1.247 -5.364 1.00 0.00 C ATOM 0 H MET A 60 10.839 -0.610 -0.639 1.00 0.00 H new ATOM 0 HA MET A 60 8.087 -0.676 -1.089 1.00 0.00 H new ATOM 0 HB2 MET A 60 9.574 1.269 -1.479 1.00 0.00 H new ATOM 0 HB3 MET A 60 10.335 0.426 -2.814 1.00 0.00 H new ATOM 0 HG2 MET A 60 7.892 0.270 -3.781 1.00 0.00 H new ATOM 0 HG3 MET A 60 7.538 1.556 -2.644 1.00 0.00 H new ATOM 0 HE1 MET A 60 10.250 1.692 -6.347 1.00 0.00 H new ATOM 0 HE2 MET A 60 11.058 1.154 -4.855 1.00 0.00 H new ATOM 0 HE3 MET A 60 9.651 0.260 -5.478 1.00 0.00 H new ATOM 932 N ARG A 61 9.922 -2.059 -3.461 1.00 0.00 N ATOM 933 CA ARG A 61 9.920 -2.878 -4.626 1.00 0.00 C ATOM 934 C ARG A 61 9.632 -4.344 -4.259 1.00 0.00 C ATOM 935 O ARG A 61 8.912 -5.050 -4.969 1.00 0.00 O ATOM 936 CB ARG A 61 11.272 -2.717 -5.288 1.00 0.00 C ATOM 937 CG ARG A 61 11.382 -3.375 -6.609 1.00 0.00 C ATOM 938 CD ARG A 61 10.440 -2.760 -7.628 1.00 0.00 C ATOM 939 NE ARG A 61 10.389 -3.553 -8.834 1.00 0.00 N ATOM 940 CZ ARG A 61 10.016 -3.122 -10.034 1.00 0.00 C ATOM 941 NH1 ARG A 61 9.726 -1.825 -10.232 1.00 0.00 N1+ ATOM 942 NH2 ARG A 61 9.899 -4.004 -11.028 1.00 0.00 N ATOM 0 H ARG A 61 10.846 -1.713 -3.203 1.00 0.00 H new ATOM 0 HA ARG A 61 9.132 -2.576 -5.316 1.00 0.00 H new ATOM 0 HB2 ARG A 61 11.482 -1.654 -5.405 1.00 0.00 H new ATOM 0 HB3 ARG A 61 12.038 -3.123 -4.627 1.00 0.00 H new ATOM 0 HG2 ARG A 61 12.408 -3.297 -6.969 1.00 0.00 H new ATOM 0 HG3 ARG A 61 11.161 -4.437 -6.505 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.441 -2.678 -7.201 1.00 0.00 H new ATOM 0 HD3 ARG A 61 10.769 -1.749 -7.868 1.00 0.00 H new ATOM 0 HE ARG A 61 10.664 -4.532 -8.757 1.00 0.00 H new ATOM 0 HH11 ARG A 61 9.792 -1.164 -9.458 1.00 0.00 H new ATOM 0 HH12 ARG A 61 9.440 -1.502 -11.156 1.00 0.00 H new ATOM 0 HH21 ARG A 61 10.095 -4.991 -10.860 1.00 0.00 H new ATOM 0 HH22 ARG A 61 9.614 -3.692 -11.956 1.00 0.00 H new ATOM 956 N ASP A 62 10.166 -4.728 -3.122 1.00 0.00 N ATOM 957 CA ASP A 62 10.040 -6.066 -2.506 1.00 0.00 C ATOM 958 C ASP A 62 8.552 -6.392 -2.362 1.00 0.00 C ATOM 959 O ASP A 62 8.068 -7.441 -2.788 1.00 0.00 O ATOM 960 CB ASP A 62 10.670 -5.953 -1.099 1.00 0.00 C ATOM 961 CG ASP A 62 11.123 -7.233 -0.434 1.00 0.00 C ATOM 962 OD1 ASP A 62 10.437 -8.231 -0.508 1.00 0.00 O1- ATOM 963 OD2 ASP A 62 12.217 -7.188 0.217 1.00 0.00 O ATOM 0 H ASP A 62 10.733 -4.095 -2.558 1.00 0.00 H new ATOM 0 HA ASP A 62 10.525 -6.840 -3.101 1.00 0.00 H new ATOM 0 HB2 ASP A 62 11.530 -5.287 -1.168 1.00 0.00 H new ATOM 0 HB3 ASP A 62 9.945 -5.471 -0.443 1.00 0.00 H new ATOM 968 N ALA A 63 7.821 -5.407 -1.849 1.00 0.00 N ATOM 969 CA ALA A 63 6.401 -5.519 -1.590 1.00 0.00 C ATOM 970 C ALA A 63 5.614 -5.672 -2.880 1.00 0.00 C ATOM 971 O ALA A 63 4.633 -6.405 -2.939 1.00 0.00 O ATOM 972 CB ALA A 63 5.930 -4.285 -0.852 1.00 0.00 C ATOM 0 H ALA A 63 8.210 -4.498 -1.600 1.00 0.00 H new ATOM 0 HA ALA A 63 6.231 -6.408 -0.983 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.861 -4.365 -0.655 1.00 0.00 H new ATOM 0 HB2 ALA A 63 6.468 -4.198 0.092 1.00 0.00 H new ATOM 0 HB3 ALA A 63 6.122 -3.402 -1.461 1.00 0.00 H new ATOM 978 N ILE A 64 6.065 -5.007 -3.909 1.00 0.00 N ATOM 979 CA ILE A 64 5.376 -4.994 -5.181 1.00 0.00 C ATOM 980 C ILE A 64 5.461 -6.347 -5.856 1.00 0.00 C ATOM 981 O ILE A 64 4.449 -6.985 -6.117 1.00 0.00 O ATOM 982 CB ILE A 64 5.979 -3.917 -6.115 1.00 0.00 C ATOM 983 CG1 ILE A 64 5.896 -2.558 -5.438 1.00 0.00 C ATOM 984 CG2 ILE A 64 5.258 -3.893 -7.467 1.00 0.00 C ATOM 985 CD1 ILE A 64 6.624 -1.460 -6.157 1.00 0.00 C ATOM 0 H ILE A 64 6.923 -4.456 -3.894 1.00 0.00 H new ATOM 0 HA ILE A 64 4.329 -4.759 -4.988 1.00 0.00 H new ATOM 0 HB ILE A 64 7.024 -4.161 -6.305 1.00 0.00 H new ATOM 0 HG12 ILE A 64 4.847 -2.278 -5.340 1.00 0.00 H new ATOM 0 HG13 ILE A 64 6.298 -2.644 -4.429 1.00 0.00 H new ATOM 0 HG21 ILE A 64 5.702 -3.127 -8.103 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.355 -4.866 -7.949 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.203 -3.669 -7.313 1.00 0.00 H new ATOM 0 HD11 ILE A 64 6.512 -0.527 -5.605 1.00 0.00 H new ATOM 0 HD12 ILE A 64 7.682 -1.713 -6.232 1.00 0.00 H new ATOM 0 HD13 ILE A 64 6.208 -1.342 -7.157 1.00 0.00 H new ATOM 997 N GLU A 65 6.660 -6.805 -6.054 1.00 0.00 N ATOM 998 CA GLU A 65 6.900 -8.001 -6.795 1.00 0.00 C ATOM 999 C GLU A 65 6.631 -9.272 -5.982 1.00 0.00 C ATOM 1000 O GLU A 65 6.487 -10.355 -6.543 1.00 0.00 O ATOM 1001 CB GLU A 65 8.299 -7.930 -7.399 1.00 0.00 C ATOM 1002 CG GLU A 65 8.407 -6.759 -8.383 1.00 0.00 C ATOM 1003 CD GLU A 65 9.772 -6.545 -8.997 1.00 0.00 C ATOM 1004 OE1 GLU A 65 10.700 -6.168 -8.263 1.00 0.00 O ATOM 1005 OE2 GLU A 65 9.896 -6.599 -10.241 1.00 0.00 O1- ATOM 0 H GLU A 65 7.504 -6.354 -5.702 1.00 0.00 H new ATOM 0 HA GLU A 65 6.183 -8.070 -7.613 1.00 0.00 H new ATOM 0 HB2 GLU A 65 9.037 -7.814 -6.606 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.527 -8.864 -7.912 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.687 -6.916 -9.187 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.114 -5.845 -7.866 1.00 0.00 H new ATOM 1012 N GLY A 66 6.551 -9.134 -4.668 1.00 0.00 N ATOM 1013 CA GLY A 66 6.278 -10.281 -3.834 1.00 0.00 C ATOM 1014 C GLY A 66 4.822 -10.399 -3.362 1.00 0.00 C ATOM 1015 O GLY A 66 4.312 -11.504 -3.217 1.00 0.00 O ATOM 0 H GLY A 66 6.670 -8.253 -4.168 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.542 -11.184 -4.384 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.927 -10.240 -2.959 1.00 0.00 H new ATOM 1019 N MET A 67 4.141 -9.277 -3.139 1.00 0.00 N ATOM 1020 CA MET A 67 2.796 -9.334 -2.533 1.00 0.00 C ATOM 1021 C MET A 67 1.681 -9.138 -3.565 1.00 0.00 C ATOM 1022 O MET A 67 0.490 -9.328 -3.259 1.00 0.00 O ATOM 1023 CB MET A 67 2.683 -8.268 -1.445 1.00 0.00 C ATOM 1024 CG MET A 67 1.971 -8.720 -0.185 1.00 0.00 C ATOM 1025 SD MET A 67 2.764 -10.158 0.578 1.00 0.00 S ATOM 1026 CE MET A 67 1.895 -10.256 2.140 1.00 0.00 C ATOM 0 H MET A 67 4.478 -8.340 -3.358 1.00 0.00 H new ATOM 0 HA MET A 67 2.670 -10.329 -2.105 1.00 0.00 H new ATOM 0 HB2 MET A 67 3.685 -7.933 -1.179 1.00 0.00 H new ATOM 0 HB3 MET A 67 2.156 -7.406 -1.854 1.00 0.00 H new ATOM 0 HG2 MET A 67 1.949 -7.898 0.531 1.00 0.00 H new ATOM 0 HG3 MET A 67 0.936 -8.963 -0.423 1.00 0.00 H new ATOM 0 HE1 MET A 67 2.592 -10.544 2.927 1.00 0.00 H new ATOM 0 HE2 MET A 67 1.462 -9.284 2.377 1.00 0.00 H new ATOM 0 HE3 MET A 67 1.101 -10.999 2.069 1.00 0.00 H new ATOM 1036 N ASN A 68 2.042 -8.750 -4.770 1.00 0.00 N ATOM 1037 CA ASN A 68 1.043 -8.532 -5.813 1.00 0.00 C ATOM 1038 C ASN A 68 0.446 -9.841 -6.267 1.00 0.00 C ATOM 1039 O ASN A 68 1.148 -10.701 -6.789 1.00 0.00 O ATOM 1040 CB ASN A 68 1.621 -7.777 -7.019 1.00 0.00 C ATOM 1041 CG ASN A 68 0.608 -7.597 -8.144 1.00 0.00 C ATOM 1042 OD1 ASN A 68 -0.162 -6.647 -8.151 1.00 0.00 O ATOM 1043 ND2 ASN A 68 0.611 -8.494 -9.103 1.00 0.00 N ATOM 0 H ASN A 68 3.006 -8.579 -5.057 1.00 0.00 H new ATOM 0 HA ASN A 68 0.260 -7.913 -5.375 1.00 0.00 H new ATOM 0 HB2 ASN A 68 1.974 -6.798 -6.694 1.00 0.00 H new ATOM 0 HB3 ASN A 68 2.487 -8.318 -7.399 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -0.041 -8.409 -9.882 1.00 0.00 H new ATOM 0 HD22 ASN A 68 1.266 -9.275 -9.068 1.00 0.00 H new ATOM 1050 N GLY A 69 -0.845 -9.983 -6.088 1.00 0.00 N ATOM 1051 CA GLY A 69 -1.495 -11.187 -6.506 1.00 0.00 C ATOM 1052 C GLY A 69 -1.988 -12.021 -5.352 1.00 0.00 C ATOM 1053 O GLY A 69 -2.608 -13.055 -5.564 1.00 0.00 O ATOM 0 H GLY A 69 -1.454 -9.286 -5.661 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.337 -10.934 -7.150 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -0.802 -11.778 -7.105 1.00 0.00 H new ATOM 1057 N GLN A 70 -1.734 -11.584 -4.130 1.00 0.00 N ATOM 1058 CA GLN A 70 -2.239 -12.321 -2.978 1.00 0.00 C ATOM 1059 C GLN A 70 -3.698 -11.923 -2.712 1.00 0.00 C ATOM 1060 O GLN A 70 -4.255 -11.031 -3.391 1.00 0.00 O ATOM 1061 CB GLN A 70 -1.429 -12.026 -1.695 1.00 0.00 C ATOM 1062 CG GLN A 70 -1.657 -10.615 -1.154 1.00 0.00 C ATOM 1063 CD GLN A 70 -1.264 -10.420 0.302 1.00 0.00 C ATOM 1064 OE1 GLN A 70 -0.886 -9.341 0.703 1.00 0.00 O ATOM 1065 NE2 GLN A 70 -1.402 -11.441 1.112 1.00 0.00 N ATOM 0 H GLN A 70 -1.196 -10.746 -3.910 1.00 0.00 H new ATOM 0 HA GLN A 70 -2.151 -13.381 -3.214 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -1.699 -12.751 -0.927 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -0.368 -12.162 -1.903 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -1.093 -9.911 -1.766 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -2.711 -10.363 -1.268 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -1.722 -12.339 0.750 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -1.190 -11.337 2.104 1.00 0.00 H new ATOM 1074 N ASP A 71 -4.301 -12.573 -1.747 1.00 0.00 N ATOM 1075 CA ASP A 71 -5.607 -12.186 -1.264 1.00 0.00 C ATOM 1076 C ASP A 71 -5.397 -11.473 0.044 1.00 0.00 C ATOM 1077 O ASP A 71 -4.534 -11.880 0.844 1.00 0.00 O ATOM 1078 CB ASP A 71 -6.524 -13.392 -1.025 1.00 0.00 C ATOM 1079 CG ASP A 71 -7.923 -12.968 -0.565 1.00 0.00 C ATOM 1080 OD1 ASP A 71 -8.109 -12.640 0.646 1.00 0.00 O ATOM 1081 OD2 ASP A 71 -8.828 -12.940 -1.405 1.00 0.00 O1- ATOM 0 H ASP A 71 -3.903 -13.384 -1.274 1.00 0.00 H new ATOM 0 HA ASP A 71 -6.089 -11.558 -2.013 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -6.605 -13.973 -1.944 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -6.077 -14.044 -0.274 1.00 0.00 H new ATOM 1086 N LEU A 72 -6.105 -10.415 0.241 1.00 0.00 N ATOM 1087 CA LEU A 72 -6.044 -9.673 1.447 1.00 0.00 C ATOM 1088 C LEU A 72 -7.455 -9.181 1.733 1.00 0.00 C ATOM 1089 O LEU A 72 -8.020 -8.425 0.936 1.00 0.00 O ATOM 1090 CB LEU A 72 -5.033 -8.499 1.289 1.00 0.00 C ATOM 1091 CG LEU A 72 -4.509 -7.789 2.570 1.00 0.00 C ATOM 1092 CD1 LEU A 72 -3.378 -6.840 2.210 1.00 0.00 C ATOM 1093 CD2 LEU A 72 -5.601 -7.010 3.290 1.00 0.00 C ATOM 0 H LEU A 72 -6.755 -10.036 -0.447 1.00 0.00 H new ATOM 0 HA LEU A 72 -5.693 -10.278 2.283 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -4.169 -8.878 0.744 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.501 -7.742 0.659 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.154 -8.569 3.244 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.016 -6.346 3.112 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.564 -7.402 1.752 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.742 -6.090 1.507 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.183 -6.533 4.177 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.003 -6.247 2.624 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.399 -7.691 3.586 1.00 0.00 H new ATOM 1105 N ASP A 73 -8.025 -9.682 2.833 1.00 0.00 N ATOM 1106 CA ASP A 73 -9.370 -9.291 3.340 1.00 0.00 C ATOM 1107 C ASP A 73 -10.490 -9.774 2.379 1.00 0.00 C ATOM 1108 O ASP A 73 -11.585 -9.223 2.324 1.00 0.00 O ATOM 1109 CB ASP A 73 -9.400 -7.746 3.594 1.00 0.00 C ATOM 1110 CG ASP A 73 -10.659 -7.205 4.276 1.00 0.00 C ATOM 1111 OD1 ASP A 73 -11.064 -7.752 5.307 1.00 0.00 O1- ATOM 1112 OD2 ASP A 73 -11.217 -6.170 3.783 1.00 0.00 O ATOM 0 H ASP A 73 -7.568 -10.383 3.415 1.00 0.00 H new ATOM 0 HA ASP A 73 -9.564 -9.784 4.292 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -8.537 -7.481 4.205 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -9.282 -7.238 2.637 1.00 0.00 H new ATOM 1117 N GLY A 74 -10.214 -10.868 1.658 1.00 0.00 N ATOM 1118 CA GLY A 74 -11.208 -11.441 0.767 1.00 0.00 C ATOM 1119 C GLY A 74 -11.173 -10.793 -0.585 1.00 0.00 C ATOM 1120 O GLY A 74 -12.162 -10.799 -1.338 1.00 0.00 O ATOM 0 H GLY A 74 -9.322 -11.362 1.679 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -11.031 -12.512 0.663 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -12.200 -11.323 1.203 1.00 0.00 H new ATOM 1124 N ARG A 75 -10.063 -10.198 -0.883 1.00 0.00 N ATOM 1125 CA ARG A 75 -9.874 -9.528 -2.112 1.00 0.00 C ATOM 1126 C ARG A 75 -8.487 -9.784 -2.686 1.00 0.00 C ATOM 1127 O ARG A 75 -7.490 -9.735 -1.982 1.00 0.00 O ATOM 1128 CB ARG A 75 -10.108 -8.031 -1.938 1.00 0.00 C ATOM 1129 CG ARG A 75 -9.712 -7.213 -3.139 1.00 0.00 C ATOM 1130 CD ARG A 75 -10.584 -7.440 -4.349 1.00 0.00 C ATOM 1131 NE ARG A 75 -9.935 -6.884 -5.549 1.00 0.00 N ATOM 1132 CZ ARG A 75 -10.514 -6.150 -6.500 1.00 0.00 C ATOM 1133 NH1 ARG A 75 -11.782 -5.735 -6.359 1.00 0.00 N1+ ATOM 1134 NH2 ARG A 75 -9.804 -5.792 -7.576 1.00 0.00 N ATOM 0 H ARG A 75 -9.254 -10.168 -0.263 1.00 0.00 H new ATOM 0 HA ARG A 75 -10.602 -9.924 -2.821 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -11.163 -7.860 -1.724 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.547 -7.683 -1.071 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -9.745 -6.156 -2.873 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -8.679 -7.445 -3.399 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -10.763 -8.507 -4.484 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -11.556 -6.970 -4.200 1.00 0.00 H new ATOM 0 HE ARG A 75 -8.941 -7.081 -5.664 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -12.309 -5.981 -5.521 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -12.219 -5.174 -7.090 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -8.830 -6.080 -7.663 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -10.237 -5.231 -8.309 1.00 0.00 H new ATOM 1148 N ASN A 76 -8.445 -10.004 -3.972 1.00 0.00 N ATOM 1149 CA ASN A 76 -7.199 -10.153 -4.704 1.00 0.00 C ATOM 1150 C ASN A 76 -6.691 -8.759 -4.972 1.00 0.00 C ATOM 1151 O ASN A 76 -7.349 -7.964 -5.678 1.00 0.00 O ATOM 1152 CB ASN A 76 -7.444 -10.895 -6.021 1.00 0.00 C ATOM 1153 CG ASN A 76 -6.178 -11.185 -6.818 1.00 0.00 C ATOM 1154 OD1 ASN A 76 -6.199 -11.181 -8.036 1.00 0.00 O ATOM 1155 ND2 ASN A 76 -5.093 -11.479 -6.151 1.00 0.00 N ATOM 0 H ASN A 76 -9.278 -10.087 -4.554 1.00 0.00 H new ATOM 0 HA ASN A 76 -6.472 -10.732 -4.134 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -7.949 -11.837 -5.806 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -8.121 -10.304 -6.638 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -4.235 -11.713 -6.650 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -5.104 -11.474 -5.131 1.00 0.00 H new ATOM 1162 N ILE A 77 -5.581 -8.451 -4.381 1.00 0.00 N ATOM 1163 CA ILE A 77 -5.046 -7.114 -4.402 1.00 0.00 C ATOM 1164 C ILE A 77 -3.965 -6.919 -5.466 1.00 0.00 C ATOM 1165 O ILE A 77 -3.230 -7.857 -5.820 1.00 0.00 O ATOM 1166 CB ILE A 77 -4.476 -6.727 -3.020 1.00 0.00 C ATOM 1167 CG1 ILE A 77 -3.388 -7.712 -2.605 1.00 0.00 C ATOM 1168 CG2 ILE A 77 -5.592 -6.745 -1.982 1.00 0.00 C ATOM 1169 CD1 ILE A 77 -2.460 -7.181 -1.538 1.00 0.00 C ATOM 0 H ILE A 77 -5.011 -9.121 -3.864 1.00 0.00 H new ATOM 0 HA ILE A 77 -5.882 -6.462 -4.656 1.00 0.00 H new ATOM 0 HB ILE A 77 -4.049 -5.726 -3.084 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -3.858 -8.626 -2.243 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -2.801 -7.982 -3.483 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -5.187 -6.472 -1.008 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -6.365 -6.032 -2.267 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -6.023 -7.745 -1.928 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.714 -7.938 -1.295 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -1.961 -6.283 -1.903 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -3.034 -6.938 -0.644 1.00 0.00 H new ATOM 1181 N THR A 78 -3.879 -5.708 -5.962 1.00 0.00 N ATOM 1182 CA THR A 78 -2.900 -5.332 -6.939 1.00 0.00 C ATOM 1183 C THR A 78 -1.931 -4.309 -6.317 1.00 0.00 C ATOM 1184 O THR A 78 -2.333 -3.202 -5.929 1.00 0.00 O ATOM 1185 CB THR A 78 -3.603 -4.719 -8.165 1.00 0.00 C ATOM 1186 OG1 THR A 78 -4.628 -5.625 -8.605 1.00 0.00 O ATOM 1187 CG2 THR A 78 -2.618 -4.485 -9.306 1.00 0.00 C ATOM 0 H THR A 78 -4.501 -4.947 -5.690 1.00 0.00 H new ATOM 0 HA THR A 78 -2.339 -6.211 -7.257 1.00 0.00 H new ATOM 0 HB THR A 78 -4.030 -3.757 -7.881 1.00 0.00 H new ATOM 0 HG1 THR A 78 -5.086 -5.247 -9.385 1.00 0.00 H new ATOM 0 HG21 THR A 78 -3.143 -4.052 -10.157 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.835 -3.802 -8.977 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.170 -5.434 -9.601 1.00 0.00 H new ATOM 1195 N VAL A 79 -0.682 -4.676 -6.239 1.00 0.00 N ATOM 1196 CA VAL A 79 0.339 -3.856 -5.626 1.00 0.00 C ATOM 1197 C VAL A 79 1.247 -3.346 -6.736 1.00 0.00 C ATOM 1198 O VAL A 79 1.778 -4.136 -7.507 1.00 0.00 O ATOM 1199 CB VAL A 79 1.194 -4.684 -4.609 1.00 0.00 C ATOM 1200 CG1 VAL A 79 2.187 -3.803 -3.880 1.00 0.00 C ATOM 1201 CG2 VAL A 79 0.317 -5.426 -3.608 1.00 0.00 C ATOM 0 H VAL A 79 -0.335 -5.564 -6.603 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.131 -3.036 -5.083 1.00 0.00 H new ATOM 0 HB VAL A 79 1.747 -5.424 -5.188 1.00 0.00 H new ATOM 0 HG11 VAL A 79 2.765 -4.408 -3.181 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.860 -3.339 -4.601 1.00 0.00 H new ATOM 0 HG13 VAL A 79 1.652 -3.028 -3.332 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.947 -5.989 -2.919 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.282 -4.709 -3.048 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.342 -6.112 -4.140 1.00 0.00 H new ATOM 1211 N ASN A 80 1.393 -2.049 -6.846 1.00 0.00 N ATOM 1212 CA ASN A 80 2.202 -1.479 -7.906 1.00 0.00 C ATOM 1213 C ASN A 80 3.082 -0.345 -7.408 1.00 0.00 C ATOM 1214 O ASN A 80 2.969 0.102 -6.255 1.00 0.00 O ATOM 1215 CB ASN A 80 1.356 -1.047 -9.127 1.00 0.00 C ATOM 1216 CG ASN A 80 0.316 0.016 -8.825 1.00 0.00 C ATOM 1217 OD1 ASN A 80 0.586 1.197 -8.894 1.00 0.00 O ATOM 1218 ND2 ASN A 80 -0.886 -0.404 -8.514 1.00 0.00 N ATOM 0 H ASN A 80 0.966 -1.366 -6.220 1.00 0.00 H new ATOM 0 HA ASN A 80 2.864 -2.276 -8.245 1.00 0.00 H new ATOM 0 HB2 ASN A 80 2.024 -0.674 -9.903 1.00 0.00 H new ATOM 0 HB3 ASN A 80 0.853 -1.924 -9.534 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -1.628 0.269 -8.321 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -1.080 -1.404 -8.465 1.00 0.00 H new ATOM 1225 N GLU A 81 3.948 0.107 -8.269 1.00 0.00 N ATOM 1226 CA GLU A 81 4.946 1.090 -7.944 1.00 0.00 C ATOM 1227 C GLU A 81 4.375 2.495 -8.124 1.00 0.00 C ATOM 1228 O GLU A 81 3.910 2.850 -9.194 1.00 0.00 O ATOM 1229 CB GLU A 81 6.156 0.827 -8.843 1.00 0.00 C ATOM 1230 CG GLU A 81 7.425 1.567 -8.492 1.00 0.00 C ATOM 1231 CD GLU A 81 8.619 0.909 -9.151 1.00 0.00 C ATOM 1232 OE1 GLU A 81 8.808 1.069 -10.360 1.00 0.00 O ATOM 1233 OE2 GLU A 81 9.351 0.163 -8.458 1.00 0.00 O1- ATOM 0 H GLU A 81 3.982 -0.204 -9.240 1.00 0.00 H new ATOM 0 HA GLU A 81 5.256 1.018 -6.902 1.00 0.00 H new ATOM 0 HB2 GLU A 81 6.368 -0.242 -8.827 1.00 0.00 H new ATOM 0 HB3 GLU A 81 5.883 1.083 -9.867 1.00 0.00 H new ATOM 0 HG2 GLU A 81 7.349 2.605 -8.815 1.00 0.00 H new ATOM 0 HG3 GLU A 81 7.559 1.579 -7.410 1.00 0.00 H new ATOM 1240 N ALA A 82 4.413 3.284 -7.060 1.00 0.00 N ATOM 1241 CA ALA A 82 3.833 4.622 -7.071 1.00 0.00 C ATOM 1242 C ALA A 82 4.914 5.672 -7.254 1.00 0.00 C ATOM 1243 O ALA A 82 4.742 6.835 -6.865 1.00 0.00 O ATOM 1244 CB ALA A 82 3.069 4.873 -5.769 1.00 0.00 C ATOM 0 H ALA A 82 4.842 3.020 -6.173 1.00 0.00 H new ATOM 0 HA ALA A 82 3.140 4.692 -7.909 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.639 5.875 -5.786 1.00 0.00 H new ATOM 0 HB2 ALA A 82 2.271 4.138 -5.668 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.752 4.786 -4.924 1.00 0.00 H new