USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 852 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 39 CYS SG : rot -33:sc= -3.15! USER MOD Set 1.2: A 63 ASN : amide:sc= -3.8! C(o=-7!,f=-8.5!) USER MOD Set 2.1: A 20 TYR OH : rot -14:sc= 0.432! USER MOD Set 2.2: A 43 HIS : no HE2:sc= -1.01! C(o=-0.58!,f=-15!) USER MOD Set 3.1: A 30 SER OG : rot 180:sc= -0.0708 USER MOD Set 3.2: A 31 SER OG : rot -95:sc= 1.9 USER MOD Set 4.1: A 27 ASN : amide:sc= -0.0827 K(o=-0.57,f=-11!) USER MOD Set 4.2: A 29 SER OG : rot 115:sc= -0.485! USER MOD Set 5.1: A 22 HIS : no HE2:sc= -1.95! C(o=-2.2!,f=-8.8!) USER MOD Set 5.2: A 36 MET CE :methyl 169:sc= -0.0665 (180deg=0) USER MOD Set 5.3: A 52 TYR OH : rot 161:sc= -0.197 USER MOD Set 6.1: A 8 MET CE :methyl -177:sc= -0.214 (180deg=-0.221) USER MOD Set 6.2: A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -1.98! C(o=-2!,f=-4.1!) USER MOD Single : A 13 CYS SG : rot 180:sc= -1.87 USER MOD Single : A 16 MET CE :methyl -143:sc= -0.522 (180deg=-3.08!) USER MOD Single : A 17 THR OG1 : rot 160:sc= -1.33 USER MOD Single : A 19 ASN : amide:sc= -0.0562 X(o=-0.056,f=0.3) USER MOD Single : A 26 GLN : amide:sc= -0.0186 X(o=-0.019,f=-0.27) USER MOD Single : A 33 SER OG : rot -82:sc= 0.425 USER MOD Single : A 34 SER OG : rot -160:sc= -0.234 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 65 THR OG1 : rot 82:sc= -1.08! USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 91:sc= 0.662 USER MOD Single : A 73 LYS NZ :NH3+ -160:sc= -0.0796 (180deg=-0.629) USER MOD Single : A 77 CYS SG : rot -7:sc= -1.84 USER MOD Single : A 79 GLN :FLIP amide:sc= -0.118 F(o=-1.2!,f=-0.12) USER MOD Single : A 86 MET CE :methyl -161:sc= -0.0401 (180deg=-0.536) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 CYS SG : rot 70:sc= -0.423 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 93:sc= 0.789 USER MOD Single : A 100 TYR OH : rot 165:sc= 0 USER MOD Single : A 102 GLN :FLIP amide:sc= -0.0198 F(o=-1.4,f=-0.02) USER MOD Single : A 107 SER OG : rot 70:sc= 0.0206 USER MOD Single : A 110 GLN : amide:sc= -0.232 X(o=-0.23,f=-0.68) USER MOD Single : A 111 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.0145) USER MOD ----------------------------------------------------------------- ATOM 83 N ASN A 7 3.131 12.863 5.142 1.00 0.00 N ATOM 84 CA ASN A 7 2.850 13.583 3.909 1.00 0.00 C ATOM 85 C ASN A 7 3.687 13.008 2.774 1.00 0.00 C ATOM 86 O ASN A 7 3.213 12.849 1.650 1.00 0.00 O ATOM 87 CB ASN A 7 3.169 15.068 4.090 1.00 0.00 C ATOM 88 CG ASN A 7 2.809 15.836 2.822 1.00 0.00 C ATOM 89 OD1 ASN A 7 3.085 15.376 1.716 1.00 0.00 O ATOM 90 ND2 ASN A 7 2.193 16.984 2.921 1.00 0.00 N ATOM 0 HA ASN A 7 1.793 13.474 3.664 1.00 0.00 H new ATOM 0 HB2 ASN A 7 2.612 15.468 4.938 1.00 0.00 H new ATOM 0 HB3 ASN A 7 4.228 15.196 4.315 1.00 0.00 H new ATOM 0 HD21 ASN A 7 1.940 17.501 2.079 1.00 0.00 H new ATOM 0 HD22 ASN A 7 1.965 17.363 3.840 1.00 0.00 H new ATOM 97 N MET A 8 4.940 12.694 3.085 1.00 0.00 N ATOM 98 CA MET A 8 5.849 12.126 2.098 1.00 0.00 C ATOM 99 C MET A 8 5.317 10.786 1.595 1.00 0.00 C ATOM 100 O MET A 8 5.260 10.537 0.392 1.00 0.00 O ATOM 101 CB MET A 8 7.228 11.926 2.742 1.00 0.00 C ATOM 102 CG MET A 8 8.242 11.459 1.691 1.00 0.00 C ATOM 103 SD MET A 8 8.057 9.683 1.407 1.00 0.00 S ATOM 104 CE MET A 8 8.756 9.653 -0.262 1.00 0.00 C ATOM 0 H MET A 8 5.348 12.823 4.011 1.00 0.00 H new ATOM 0 HA MET A 8 5.931 12.808 1.251 1.00 0.00 H new ATOM 0 HB2 MET A 8 7.565 12.859 3.193 1.00 0.00 H new ATOM 0 HB3 MET A 8 7.160 11.191 3.544 1.00 0.00 H new ATOM 0 HG2 MET A 8 8.090 12.003 0.759 1.00 0.00 H new ATOM 0 HG3 MET A 8 9.255 11.679 2.027 1.00 0.00 H new ATOM 0 HE1 MET A 8 8.693 8.642 -0.665 1.00 0.00 H new ATOM 0 HE2 MET A 8 8.197 10.334 -0.903 1.00 0.00 H new ATOM 0 HE3 MET A 8 9.800 9.965 -0.225 1.00 0.00 H new ATOM 114 N LEU A 9 4.921 9.933 2.535 1.00 0.00 N ATOM 115 CA LEU A 9 4.390 8.626 2.205 1.00 0.00 C ATOM 116 C LEU A 9 3.079 8.759 1.455 1.00 0.00 C ATOM 117 O LEU A 9 2.834 8.062 0.471 1.00 0.00 O ATOM 118 CB LEU A 9 4.153 7.844 3.492 1.00 0.00 C ATOM 119 CG LEU A 9 5.485 7.465 4.126 1.00 0.00 C ATOM 120 CD1 LEU A 9 5.231 6.940 5.540 1.00 0.00 C ATOM 121 CD2 LEU A 9 6.198 6.383 3.283 1.00 0.00 C ATOM 0 H LEU A 9 4.961 10.130 3.535 1.00 0.00 H new ATOM 0 HA LEU A 9 5.107 8.103 1.572 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.567 8.444 4.189 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.574 6.946 3.280 1.00 0.00 H new ATOM 0 HG LEU A 9 6.127 8.345 4.167 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.179 6.666 6.002 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.748 7.715 6.135 1.00 0.00 H new ATOM 0 HD13 LEU A 9 4.584 6.064 5.492 1.00 0.00 H new ATOM 0 HD21 LEU A 9 7.148 6.125 3.751 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.569 5.495 3.224 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.381 6.766 2.279 1.00 0.00 H new ATOM 133 N LEU A 10 2.236 9.657 1.942 1.00 0.00 N ATOM 134 CA LEU A 10 0.935 9.871 1.322 1.00 0.00 C ATOM 135 C LEU A 10 1.124 10.361 -0.106 1.00 0.00 C ATOM 136 O LEU A 10 0.507 9.854 -1.044 1.00 0.00 O ATOM 137 CB LEU A 10 0.117 10.887 2.154 1.00 0.00 C ATOM 138 CG LEU A 10 -1.389 10.761 1.843 1.00 0.00 C ATOM 139 CD1 LEU A 10 -1.985 9.579 2.628 1.00 0.00 C ATOM 140 CD2 LEU A 10 -2.115 12.068 2.252 1.00 0.00 C ATOM 0 H LEU A 10 2.425 10.244 2.755 1.00 0.00 H new ATOM 0 HA LEU A 10 0.383 8.931 1.294 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.289 10.716 3.217 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.455 11.900 1.935 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.521 10.589 0.775 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.049 9.494 2.405 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.479 8.658 2.339 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.850 9.747 3.697 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.179 11.978 2.032 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.979 12.241 3.320 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.699 12.906 1.693 1.00 0.00 H new ATOM 152 N GLU A 11 1.997 11.338 -0.259 1.00 0.00 N ATOM 153 CA GLU A 11 2.296 11.912 -1.568 1.00 0.00 C ATOM 154 C GLU A 11 2.792 10.826 -2.502 1.00 0.00 C ATOM 155 O GLU A 11 2.281 10.613 -3.605 1.00 0.00 O ATOM 156 CB GLU A 11 3.406 12.937 -1.385 1.00 0.00 C ATOM 157 CG GLU A 11 3.619 13.703 -2.683 1.00 0.00 C ATOM 158 CD GLU A 11 4.678 14.779 -2.484 1.00 0.00 C ATOM 159 OE1 GLU A 11 5.026 15.035 -1.343 1.00 0.00 O ATOM 160 OE2 GLU A 11 5.122 15.335 -3.474 1.00 0.00 O ATOM 0 H GLU A 11 2.518 11.757 0.511 1.00 0.00 H new ATOM 0 HA GLU A 11 1.401 12.370 -1.989 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.147 13.628 -0.583 1.00 0.00 H new ATOM 0 HB3 GLU A 11 4.329 12.438 -1.091 1.00 0.00 H new ATOM 0 HG2 GLU A 11 3.928 13.018 -3.473 1.00 0.00 H new ATOM 0 HG3 GLU A 11 2.682 14.158 -3.004 1.00 0.00 H new ATOM 167 N TRP A 12 3.805 10.158 -2.004 1.00 0.00 N ATOM 168 CA TRP A 12 4.482 9.069 -2.674 1.00 0.00 C ATOM 169 C TRP A 12 3.499 7.964 -3.071 1.00 0.00 C ATOM 170 O TRP A 12 3.336 7.663 -4.252 1.00 0.00 O ATOM 171 CB TRP A 12 5.492 8.593 -1.643 1.00 0.00 C ATOM 172 CG TRP A 12 6.257 7.394 -2.056 1.00 0.00 C ATOM 173 CD1 TRP A 12 7.389 7.392 -2.791 1.00 0.00 C ATOM 174 CD2 TRP A 12 6.002 6.026 -1.680 1.00 0.00 C ATOM 175 NE1 TRP A 12 7.840 6.087 -2.900 1.00 0.00 N ATOM 176 CE2 TRP A 12 7.011 5.206 -2.229 1.00 0.00 C ATOM 177 CE3 TRP A 12 4.988 5.427 -0.925 1.00 0.00 C ATOM 178 CZ2 TRP A 12 7.016 3.827 -2.028 1.00 0.00 C ATOM 179 CZ3 TRP A 12 4.984 4.041 -0.717 1.00 0.00 C ATOM 180 CH2 TRP A 12 5.998 3.241 -1.266 1.00 0.00 C ATOM 0 H TRP A 12 4.197 10.365 -1.085 1.00 0.00 H new ATOM 0 HA TRP A 12 4.954 9.368 -3.610 1.00 0.00 H new ATOM 0 HB2 TRP A 12 6.191 9.403 -1.434 1.00 0.00 H new ATOM 0 HB3 TRP A 12 4.969 8.375 -0.712 1.00 0.00 H new ATOM 0 HD1 TRP A 12 7.863 8.262 -3.222 1.00 0.00 H new ATOM 0 HE1 TRP A 12 8.678 5.810 -3.411 1.00 0.00 H new ATOM 0 HE3 TRP A 12 4.204 6.036 -0.500 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 7.797 3.216 -2.456 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 4.198 3.587 -0.132 1.00 0.00 H new ATOM 0 HH2 TRP A 12 5.993 2.174 -1.101 1.00 0.00 H new ATOM 191 N CYS A 13 2.835 7.379 -2.081 1.00 0.00 N ATOM 192 CA CYS A 13 1.862 6.316 -2.335 1.00 0.00 C ATOM 193 C CYS A 13 0.827 6.756 -3.378 1.00 0.00 C ATOM 194 O CYS A 13 0.505 6.019 -4.311 1.00 0.00 O ATOM 195 CB CYS A 13 1.155 5.978 -1.019 1.00 0.00 C ATOM 196 SG CYS A 13 0.468 4.310 -1.108 1.00 0.00 S ATOM 0 H CYS A 13 2.950 7.620 -1.097 1.00 0.00 H new ATOM 0 HA CYS A 13 2.382 5.441 -2.724 1.00 0.00 H new ATOM 0 HB2 CYS A 13 1.858 6.048 -0.189 1.00 0.00 H new ATOM 0 HB3 CYS A 13 0.361 6.699 -0.826 1.00 0.00 H new ATOM 0 HG CYS A 13 -0.129 4.026 0.011 1.00 0.00 H new ATOM 202 N ARG A 14 0.321 7.973 -3.202 1.00 0.00 N ATOM 203 CA ARG A 14 -0.677 8.531 -4.118 1.00 0.00 C ATOM 204 C ARG A 14 -0.106 8.636 -5.525 1.00 0.00 C ATOM 205 O ARG A 14 -0.688 8.153 -6.494 1.00 0.00 O ATOM 206 CB ARG A 14 -1.069 9.935 -3.657 1.00 0.00 C ATOM 207 CG ARG A 14 -2.326 10.391 -4.405 1.00 0.00 C ATOM 208 CD ARG A 14 -2.701 11.806 -3.958 1.00 0.00 C ATOM 209 NE ARG A 14 -3.990 12.192 -4.529 1.00 0.00 N ATOM 210 CZ ARG A 14 -4.074 12.718 -5.750 1.00 0.00 C ATOM 211 NH1 ARG A 14 -3.767 13.972 -5.943 1.00 0.00 N ATOM 212 NH2 ARG A 14 -4.466 11.981 -6.752 1.00 0.00 N ATOM 0 H ARG A 14 0.583 8.593 -2.436 1.00 0.00 H new ATOM 0 HA ARG A 14 -1.546 7.872 -4.121 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -1.252 9.938 -2.583 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -0.251 10.631 -3.843 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -2.149 10.373 -5.480 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -3.149 9.705 -4.206 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -2.749 11.850 -2.870 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -1.931 12.510 -4.272 1.00 0.00 H new ATOM 0 HE ARG A 14 -4.841 12.056 -3.983 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -3.463 14.549 -5.159 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -3.831 14.375 -6.878 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -4.708 11.002 -6.601 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -4.530 12.384 -7.687 1.00 0.00 H new ATOM 226 N ALA A 15 1.040 9.277 -5.614 1.00 0.00 N ATOM 227 CA ALA A 15 1.710 9.464 -6.896 1.00 0.00 C ATOM 228 C ALA A 15 1.809 8.150 -7.669 1.00 0.00 C ATOM 229 O ALA A 15 2.043 8.147 -8.877 1.00 0.00 O ATOM 230 CB ALA A 15 3.116 10.016 -6.665 1.00 0.00 C ATOM 0 H ALA A 15 1.532 9.680 -4.817 1.00 0.00 H new ATOM 0 HA ALA A 15 1.120 10.167 -7.484 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.615 10.155 -7.624 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.051 10.973 -6.148 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.687 9.314 -6.058 1.00 0.00 H new ATOM 236 N MET A 16 1.640 7.036 -6.965 1.00 0.00 N ATOM 237 CA MET A 16 1.716 5.710 -7.587 1.00 0.00 C ATOM 238 C MET A 16 0.355 5.022 -7.567 1.00 0.00 C ATOM 239 O MET A 16 0.200 3.922 -8.100 1.00 0.00 O ATOM 240 CB MET A 16 2.757 4.872 -6.831 1.00 0.00 C ATOM 241 CG MET A 16 4.170 5.303 -7.264 1.00 0.00 C ATOM 242 SD MET A 16 5.369 4.917 -5.961 1.00 0.00 S ATOM 243 CE MET A 16 6.091 6.574 -5.800 1.00 0.00 C ATOM 0 H MET A 16 1.449 7.020 -5.963 1.00 0.00 H new ATOM 0 HA MET A 16 2.015 5.814 -8.630 1.00 0.00 H new ATOM 0 HB2 MET A 16 2.637 5.006 -5.756 1.00 0.00 H new ATOM 0 HB3 MET A 16 2.608 3.812 -7.039 1.00 0.00 H new ATOM 0 HG2 MET A 16 4.447 4.792 -8.186 1.00 0.00 H new ATOM 0 HG3 MET A 16 4.183 6.372 -7.475 1.00 0.00 H new ATOM 0 HE1 MET A 16 7.161 6.488 -5.612 1.00 0.00 H new ATOM 0 HE2 MET A 16 5.928 7.133 -6.722 1.00 0.00 H new ATOM 0 HE3 MET A 16 5.618 7.098 -4.970 1.00 0.00 H new ATOM 253 N THR A 17 -0.629 5.677 -6.950 1.00 0.00 N ATOM 254 CA THR A 17 -1.984 5.124 -6.864 1.00 0.00 C ATOM 255 C THR A 17 -2.878 5.675 -7.978 1.00 0.00 C ATOM 256 O THR A 17 -3.993 5.200 -8.169 1.00 0.00 O ATOM 257 CB THR A 17 -2.593 5.458 -5.493 1.00 0.00 C ATOM 258 OG1 THR A 17 -3.406 4.377 -5.068 1.00 0.00 O ATOM 259 CG2 THR A 17 -3.439 6.733 -5.595 1.00 0.00 C ATOM 0 H THR A 17 -0.516 6.587 -6.504 1.00 0.00 H new ATOM 0 HA THR A 17 -1.921 4.042 -6.984 1.00 0.00 H new ATOM 0 HB THR A 17 -1.793 5.621 -4.770 1.00 0.00 H new ATOM 0 HG1 THR A 17 -3.534 4.426 -4.098 1.00 0.00 H new ATOM 0 HG21 THR A 17 -3.868 6.964 -4.620 1.00 0.00 H new ATOM 0 HG22 THR A 17 -2.810 7.562 -5.921 1.00 0.00 H new ATOM 0 HG23 THR A 17 -4.241 6.581 -6.317 1.00 0.00 H new ATOM 267 N ARG A 18 -2.396 6.693 -8.672 1.00 0.00 N ATOM 268 CA ARG A 18 -3.159 7.303 -9.751 1.00 0.00 C ATOM 269 C ARG A 18 -3.295 6.315 -10.908 1.00 0.00 C ATOM 270 O ARG A 18 -4.359 6.168 -11.514 1.00 0.00 O ATOM 271 CB ARG A 18 -2.414 8.548 -10.217 1.00 0.00 C ATOM 272 CG ARG A 18 -2.500 9.606 -9.117 1.00 0.00 C ATOM 273 CD ARG A 18 -1.664 10.819 -9.506 1.00 0.00 C ATOM 274 NE ARG A 18 -2.199 11.416 -10.717 1.00 0.00 N ATOM 275 CZ ARG A 18 -1.538 12.370 -11.356 1.00 0.00 C ATOM 276 NH1 ARG A 18 -0.625 12.056 -12.233 1.00 0.00 N ATOM 277 NH2 ARG A 18 -1.802 13.622 -11.106 1.00 0.00 N ATOM 0 H ARG A 18 -1.482 7.115 -8.509 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.157 7.572 -9.403 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -1.372 8.308 -10.431 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.850 8.927 -11.141 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.538 9.901 -8.963 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.143 9.193 -8.173 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -1.668 11.549 -8.697 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -0.627 10.522 -9.663 1.00 0.00 H new ATOM 0 HE ARG A 18 -3.097 11.096 -11.081 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -0.420 11.076 -12.427 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -0.116 12.791 -12.725 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -2.516 13.865 -10.420 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -1.294 14.358 -11.597 1.00 0.00 H new ATOM 291 N ASN A 19 -2.190 5.636 -11.176 1.00 0.00 N ATOM 292 CA ASN A 19 -2.128 4.646 -12.252 1.00 0.00 C ATOM 293 C ASN A 19 -3.254 3.638 -12.087 1.00 0.00 C ATOM 294 O ASN A 19 -3.762 3.086 -13.066 1.00 0.00 O ATOM 295 CB ASN A 19 -0.785 3.911 -12.213 1.00 0.00 C ATOM 296 CG ASN A 19 -0.725 2.870 -13.328 1.00 0.00 C ATOM 297 OD1 ASN A 19 -0.429 1.703 -13.074 1.00 0.00 O ATOM 298 ND2 ASN A 19 -0.987 3.227 -14.557 1.00 0.00 N ATOM 0 H ASN A 19 -1.316 5.750 -10.662 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.231 5.159 -13.208 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.032 4.624 -12.326 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.654 3.427 -11.245 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -0.946 2.538 -15.308 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -1.232 4.195 -14.766 1.00 0.00 H new ATOM 305 N TYR A 20 -3.625 3.402 -10.835 1.00 0.00 N ATOM 306 CA TYR A 20 -4.682 2.459 -10.511 1.00 0.00 C ATOM 307 C TYR A 20 -5.944 3.187 -10.049 1.00 0.00 C ATOM 308 O TYR A 20 -5.988 3.724 -8.951 1.00 0.00 O ATOM 309 CB TYR A 20 -4.188 1.536 -9.396 1.00 0.00 C ATOM 310 CG TYR A 20 -2.962 0.800 -9.877 1.00 0.00 C ATOM 311 CD1 TYR A 20 -3.065 -0.122 -10.920 1.00 0.00 C ATOM 312 CD2 TYR A 20 -1.722 1.034 -9.270 1.00 0.00 C ATOM 313 CE1 TYR A 20 -1.931 -0.815 -11.358 1.00 0.00 C ATOM 314 CE2 TYR A 20 -0.586 0.344 -9.707 1.00 0.00 C ATOM 315 CZ TYR A 20 -0.690 -0.582 -10.752 1.00 0.00 C ATOM 316 OH TYR A 20 0.427 -1.269 -11.182 1.00 0.00 O ATOM 0 H TYR A 20 -3.205 3.855 -10.024 1.00 0.00 H new ATOM 0 HA TYR A 20 -4.930 1.883 -11.403 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.953 2.116 -8.503 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -4.969 0.827 -9.120 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -4.021 -0.301 -11.389 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -1.642 1.748 -8.464 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -2.013 -1.530 -12.164 1.00 0.00 H new ATOM 0 HE2 TYR A 20 0.370 0.525 -9.239 1.00 0.00 H new ATOM 0 HH TYR A 20 0.152 -2.018 -11.750 1.00 0.00 H new ATOM 326 N GLU A 21 -6.951 3.222 -10.908 1.00 0.00 N ATOM 327 CA GLU A 21 -8.210 3.896 -10.583 1.00 0.00 C ATOM 328 C GLU A 21 -8.946 3.147 -9.483 1.00 0.00 C ATOM 329 O GLU A 21 -8.406 2.216 -8.885 1.00 0.00 O ATOM 330 CB GLU A 21 -9.104 3.949 -11.819 1.00 0.00 C ATOM 331 CG GLU A 21 -8.444 4.819 -12.888 1.00 0.00 C ATOM 332 CD GLU A 21 -7.406 4.002 -13.653 1.00 0.00 C ATOM 333 OE1 GLU A 21 -7.181 2.863 -13.271 1.00 0.00 O ATOM 334 OE2 GLU A 21 -6.858 4.521 -14.605 1.00 0.00 O ATOM 0 H GLU A 21 -6.927 2.795 -11.834 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.979 4.906 -10.244 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.269 2.943 -12.205 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.081 4.355 -11.557 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.199 5.201 -13.576 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.969 5.684 -12.424 1.00 0.00 H new ATOM 341 N HIS A 22 -10.179 3.574 -9.210 1.00 0.00 N ATOM 342 CA HIS A 22 -10.986 2.951 -8.169 1.00 0.00 C ATOM 343 C HIS A 22 -10.256 3.075 -6.834 1.00 0.00 C ATOM 344 O HIS A 22 -10.740 2.644 -5.790 1.00 0.00 O ATOM 345 CB HIS A 22 -11.231 1.460 -8.535 1.00 0.00 C ATOM 346 CG HIS A 22 -12.165 0.807 -7.553 1.00 0.00 C ATOM 347 ND1 HIS A 22 -11.814 0.595 -6.233 1.00 0.00 N ATOM 348 CD2 HIS A 22 -13.426 0.274 -7.691 1.00 0.00 C ATOM 349 CE1 HIS A 22 -12.834 -0.035 -5.631 1.00 0.00 C ATOM 350 NE2 HIS A 22 -13.847 -0.256 -6.475 1.00 0.00 N ATOM 0 H HIS A 22 -10.637 4.346 -9.695 1.00 0.00 H new ATOM 0 HA HIS A 22 -11.952 3.449 -8.086 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -11.650 1.393 -9.539 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -10.281 0.925 -8.549 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -10.935 0.869 -5.794 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -14.002 0.268 -8.605 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -12.837 -0.328 -4.591 1.00 0.00 H new ATOM 358 N VAL A 23 -9.076 3.700 -6.888 1.00 0.00 N ATOM 359 CA VAL A 23 -8.253 3.903 -5.706 1.00 0.00 C ATOM 360 C VAL A 23 -7.919 5.385 -5.555 1.00 0.00 C ATOM 361 O VAL A 23 -7.432 6.021 -6.488 1.00 0.00 O ATOM 362 CB VAL A 23 -6.957 3.096 -5.873 1.00 0.00 C ATOM 363 CG1 VAL A 23 -6.006 3.355 -4.707 1.00 0.00 C ATOM 364 CG2 VAL A 23 -7.291 1.605 -5.952 1.00 0.00 C ATOM 0 H VAL A 23 -8.673 4.074 -7.747 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.790 3.573 -4.817 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.464 3.409 -6.793 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.094 2.774 -4.845 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.758 4.416 -4.669 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.486 3.061 -3.774 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -6.371 1.032 -6.071 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -7.796 1.296 -5.037 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.944 1.423 -6.805 1.00 0.00 H new ATOM 374 N ASP A 24 -8.178 5.919 -4.367 1.00 0.00 N ATOM 375 CA ASP A 24 -7.902 7.331 -4.076 1.00 0.00 C ATOM 376 C ASP A 24 -7.432 7.471 -2.632 1.00 0.00 C ATOM 377 O ASP A 24 -8.206 7.294 -1.696 1.00 0.00 O ATOM 378 CB ASP A 24 -9.158 8.174 -4.294 1.00 0.00 C ATOM 379 CG ASP A 24 -8.832 9.648 -4.076 1.00 0.00 C ATOM 380 OD1 ASP A 24 -7.717 9.932 -3.668 1.00 0.00 O ATOM 381 OD2 ASP A 24 -9.700 10.468 -4.318 1.00 0.00 O ATOM 0 H ASP A 24 -8.579 5.400 -3.586 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.122 7.685 -4.750 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.539 8.021 -5.304 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.943 7.860 -3.606 1.00 0.00 H new ATOM 386 N ILE A 25 -6.146 7.759 -2.458 1.00 0.00 N ATOM 387 CA ILE A 25 -5.574 7.882 -1.124 1.00 0.00 C ATOM 388 C ILE A 25 -5.879 9.228 -0.466 1.00 0.00 C ATOM 389 O ILE A 25 -5.195 10.226 -0.694 1.00 0.00 O ATOM 390 CB ILE A 25 -4.065 7.630 -1.198 1.00 0.00 C ATOM 391 CG1 ILE A 25 -3.843 6.163 -1.597 1.00 0.00 C ATOM 392 CG2 ILE A 25 -3.415 7.900 0.162 1.00 0.00 C ATOM 393 CD1 ILE A 25 -2.351 5.878 -1.806 1.00 0.00 C ATOM 0 H ILE A 25 -5.485 7.911 -3.220 1.00 0.00 H new ATOM 0 HA ILE A 25 -6.042 7.130 -0.488 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.613 8.297 -1.933 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.239 5.506 -0.822 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -4.392 5.943 -2.512 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.343 7.717 0.095 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -3.589 8.937 0.449 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.850 7.238 0.911 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.216 4.834 -2.088 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.965 6.520 -2.598 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.810 6.077 -0.881 1.00 0.00 H new ATOM 405 N GLN A 26 -6.914 9.215 0.380 1.00 0.00 N ATOM 406 CA GLN A 26 -7.339 10.401 1.134 1.00 0.00 C ATOM 407 C GLN A 26 -7.054 10.172 2.613 1.00 0.00 C ATOM 408 O GLN A 26 -6.868 11.112 3.389 1.00 0.00 O ATOM 409 CB GLN A 26 -8.835 10.660 0.930 1.00 0.00 C ATOM 410 CG GLN A 26 -9.085 11.074 -0.520 1.00 0.00 C ATOM 411 CD GLN A 26 -10.577 11.303 -0.739 1.00 0.00 C ATOM 412 OE1 GLN A 26 -11.225 11.973 0.063 1.00 0.00 O ATOM 413 NE2 GLN A 26 -11.163 10.781 -1.781 1.00 0.00 N ATOM 0 H GLN A 26 -7.480 8.386 0.562 1.00 0.00 H new ATOM 0 HA GLN A 26 -6.788 11.271 0.777 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.406 9.763 1.167 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -9.176 11.443 1.607 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.530 11.984 -0.749 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -8.723 10.300 -1.197 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -10.623 10.226 -2.445 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -12.161 10.928 -1.932 1.00 0.00 H new ATOM 422 N ASN A 27 -7.006 8.900 2.981 1.00 0.00 N ATOM 423 CA ASN A 27 -6.722 8.495 4.347 1.00 0.00 C ATOM 424 C ASN A 27 -6.204 7.067 4.324 1.00 0.00 C ATOM 425 O ASN A 27 -6.720 6.225 3.592 1.00 0.00 O ATOM 426 CB ASN A 27 -7.981 8.587 5.220 1.00 0.00 C ATOM 427 CG ASN A 27 -7.607 8.502 6.697 1.00 0.00 C ATOM 428 OD1 ASN A 27 -7.055 7.497 7.143 1.00 0.00 O ATOM 429 ND2 ASN A 27 -7.875 9.505 7.489 1.00 0.00 N ATOM 0 H ASN A 27 -7.163 8.122 2.341 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.974 9.162 4.776 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -8.501 9.524 5.023 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -8.669 7.781 4.965 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -7.627 9.455 8.477 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -8.333 10.338 7.120 1.00 0.00 H new ATOM 436 N PHE A 28 -5.179 6.799 5.111 1.00 0.00 N ATOM 437 CA PHE A 28 -4.605 5.466 5.141 1.00 0.00 C ATOM 438 C PHE A 28 -5.636 4.448 5.607 1.00 0.00 C ATOM 439 O PHE A 28 -5.372 3.247 5.650 1.00 0.00 O ATOM 440 CB PHE A 28 -3.398 5.455 6.083 1.00 0.00 C ATOM 441 CG PHE A 28 -2.225 6.122 5.405 1.00 0.00 C ATOM 442 CD1 PHE A 28 -1.675 5.556 4.250 1.00 0.00 C ATOM 443 CD2 PHE A 28 -1.688 7.305 5.925 1.00 0.00 C ATOM 444 CE1 PHE A 28 -0.595 6.170 3.613 1.00 0.00 C ATOM 445 CE2 PHE A 28 -0.605 7.917 5.292 1.00 0.00 C ATOM 446 CZ PHE A 28 -0.058 7.353 4.134 1.00 0.00 C ATOM 0 H PHE A 28 -4.732 7.475 5.730 1.00 0.00 H new ATOM 0 HA PHE A 28 -4.287 5.195 4.134 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.641 5.976 7.009 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -3.142 4.430 6.352 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -2.087 4.641 3.850 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -2.112 7.744 6.816 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -0.174 5.733 2.719 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.188 8.828 5.697 1.00 0.00 H new ATOM 0 HZ PHE A 28 0.777 7.830 3.643 1.00 0.00 H new ATOM 456 N SER A 29 -6.799 4.954 5.986 1.00 0.00 N ATOM 457 CA SER A 29 -7.878 4.111 6.501 1.00 0.00 C ATOM 458 C SER A 29 -8.975 3.837 5.475 1.00 0.00 C ATOM 459 O SER A 29 -9.087 2.740 4.935 1.00 0.00 O ATOM 460 CB SER A 29 -8.504 4.807 7.710 1.00 0.00 C ATOM 461 OG SER A 29 -9.166 5.989 7.276 1.00 0.00 O ATOM 0 H SER A 29 -7.025 5.948 5.948 1.00 0.00 H new ATOM 0 HA SER A 29 -7.437 3.149 6.764 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.211 4.140 8.204 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.735 5.054 8.442 1.00 0.00 H new ATOM 0 HG SER A 29 -10.130 5.899 7.429 1.00 0.00 H new ATOM 467 N SER A 30 -9.795 4.841 5.238 1.00 0.00 N ATOM 468 CA SER A 30 -10.920 4.711 4.312 1.00 0.00 C ATOM 469 C SER A 30 -10.485 4.313 2.915 1.00 0.00 C ATOM 470 O SER A 30 -11.117 3.471 2.276 1.00 0.00 O ATOM 471 CB SER A 30 -11.678 6.036 4.232 1.00 0.00 C ATOM 472 OG SER A 30 -10.776 7.065 3.848 1.00 0.00 O ATOM 0 H SER A 30 -9.710 5.761 5.671 1.00 0.00 H new ATOM 0 HA SER A 30 -11.560 3.919 4.701 1.00 0.00 H new ATOM 0 HB2 SER A 30 -12.492 5.961 3.511 1.00 0.00 H new ATOM 0 HB3 SER A 30 -12.128 6.271 5.197 1.00 0.00 H new ATOM 0 HG SER A 30 -11.256 7.917 3.793 1.00 0.00 H new ATOM 478 N SER A 31 -9.424 4.926 2.430 1.00 0.00 N ATOM 479 CA SER A 31 -8.949 4.632 1.085 1.00 0.00 C ATOM 480 C SER A 31 -8.301 3.258 1.018 1.00 0.00 C ATOM 481 O SER A 31 -7.805 2.850 -0.032 1.00 0.00 O ATOM 482 CB SER A 31 -7.957 5.704 0.652 1.00 0.00 C ATOM 483 OG SER A 31 -8.616 6.964 0.659 1.00 0.00 O ATOM 0 H SER A 31 -8.877 5.623 2.936 1.00 0.00 H new ATOM 0 HA SER A 31 -9.803 4.630 0.408 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.101 5.721 1.327 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.573 5.484 -0.344 1.00 0.00 H new ATOM 0 HG SER A 31 -8.948 7.165 -0.241 1.00 0.00 H new ATOM 489 N TRP A 32 -8.300 2.548 2.145 1.00 0.00 N ATOM 490 CA TRP A 32 -7.699 1.217 2.217 1.00 0.00 C ATOM 491 C TRP A 32 -8.740 0.141 2.527 1.00 0.00 C ATOM 492 O TRP A 32 -8.434 -1.050 2.485 1.00 0.00 O ATOM 493 CB TRP A 32 -6.650 1.238 3.316 1.00 0.00 C ATOM 494 CG TRP A 32 -5.518 2.095 2.895 1.00 0.00 C ATOM 495 CD1 TRP A 32 -5.596 3.427 2.703 1.00 0.00 C ATOM 496 CD2 TRP A 32 -4.148 1.715 2.620 1.00 0.00 C ATOM 497 NE1 TRP A 32 -4.355 3.888 2.313 1.00 0.00 N ATOM 498 CE2 TRP A 32 -3.426 2.867 2.257 1.00 0.00 C ATOM 499 CE3 TRP A 32 -3.471 0.487 2.651 1.00 0.00 C ATOM 500 CZ2 TRP A 32 -2.073 2.807 1.938 1.00 0.00 C ATOM 501 CZ3 TRP A 32 -2.110 0.422 2.322 1.00 0.00 C ATOM 502 CH2 TRP A 32 -1.412 1.581 1.970 1.00 0.00 C ATOM 0 H TRP A 32 -8.709 2.872 3.021 1.00 0.00 H new ATOM 0 HA TRP A 32 -7.257 0.974 1.251 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -7.084 1.617 4.241 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -6.299 0.226 3.519 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -6.481 4.032 2.833 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -4.149 4.863 2.093 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -4.001 -0.412 2.929 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -1.538 3.705 1.667 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -1.598 -0.529 2.341 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -0.362 1.526 1.723 1.00 0.00 H new ATOM 513 N SER A 33 -9.958 0.558 2.855 1.00 0.00 N ATOM 514 CA SER A 33 -11.011 -0.388 3.186 1.00 0.00 C ATOM 515 C SER A 33 -11.272 -1.351 2.031 1.00 0.00 C ATOM 516 O SER A 33 -11.866 -2.413 2.226 1.00 0.00 O ATOM 517 CB SER A 33 -12.301 0.364 3.507 1.00 0.00 C ATOM 518 OG SER A 33 -12.796 0.977 2.326 1.00 0.00 O ATOM 0 H SER A 33 -10.237 1.538 2.898 1.00 0.00 H new ATOM 0 HA SER A 33 -10.685 -0.962 4.053 1.00 0.00 H new ATOM 0 HB2 SER A 33 -13.044 -0.323 3.912 1.00 0.00 H new ATOM 0 HB3 SER A 33 -12.114 1.119 4.271 1.00 0.00 H new ATOM 0 HG SER A 33 -12.329 1.826 2.177 1.00 0.00 H new ATOM 524 N SER A 34 -10.842 -0.983 0.826 1.00 0.00 N ATOM 525 CA SER A 34 -11.058 -1.833 -0.347 1.00 0.00 C ATOM 526 C SER A 34 -9.946 -2.866 -0.501 1.00 0.00 C ATOM 527 O SER A 34 -10.130 -3.883 -1.165 1.00 0.00 O ATOM 528 CB SER A 34 -11.098 -0.972 -1.604 1.00 0.00 C ATOM 529 OG SER A 34 -9.845 -0.319 -1.763 1.00 0.00 O ATOM 0 H SER A 34 -10.347 -0.112 0.635 1.00 0.00 H new ATOM 0 HA SER A 34 -12.005 -2.354 -0.208 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.313 -1.590 -2.476 1.00 0.00 H new ATOM 0 HB3 SER A 34 -11.898 -0.236 -1.530 1.00 0.00 H new ATOM 0 HG SER A 34 -9.952 0.455 -2.355 1.00 0.00 H new ATOM 535 N GLY A 35 -8.785 -2.588 0.079 1.00 0.00 N ATOM 536 CA GLY A 35 -7.655 -3.502 -0.044 1.00 0.00 C ATOM 537 C GLY A 35 -6.997 -3.293 -1.392 1.00 0.00 C ATOM 538 O GLY A 35 -5.897 -3.777 -1.658 1.00 0.00 O ATOM 0 H GLY A 35 -8.602 -1.750 0.631 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.938 -3.324 0.757 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.993 -4.534 0.054 1.00 0.00 H new ATOM 542 N MET A 36 -7.693 -2.538 -2.233 1.00 0.00 N ATOM 543 CA MET A 36 -7.214 -2.221 -3.566 1.00 0.00 C ATOM 544 C MET A 36 -5.903 -1.450 -3.487 1.00 0.00 C ATOM 545 O MET A 36 -5.069 -1.538 -4.386 1.00 0.00 O ATOM 546 CB MET A 36 -8.270 -1.374 -4.290 1.00 0.00 C ATOM 547 CG MET A 36 -9.549 -2.197 -4.495 1.00 0.00 C ATOM 548 SD MET A 36 -9.395 -3.211 -5.986 1.00 0.00 S ATOM 549 CE MET A 36 -10.293 -2.103 -7.106 1.00 0.00 C ATOM 0 H MET A 36 -8.601 -2.131 -2.008 1.00 0.00 H new ATOM 0 HA MET A 36 -7.041 -3.146 -4.116 1.00 0.00 H new ATOM 0 HB2 MET A 36 -8.492 -0.479 -3.709 1.00 0.00 H new ATOM 0 HB3 MET A 36 -7.883 -1.040 -5.253 1.00 0.00 H new ATOM 0 HG2 MET A 36 -9.725 -2.834 -3.628 1.00 0.00 H new ATOM 0 HG3 MET A 36 -10.409 -1.533 -4.583 1.00 0.00 H new ATOM 0 HE1 MET A 36 -10.156 -2.436 -8.135 1.00 0.00 H new ATOM 0 HE2 MET A 36 -11.354 -2.117 -6.858 1.00 0.00 H new ATOM 0 HE3 MET A 36 -9.909 -1.088 -6.999 1.00 0.00 H new ATOM 559 N ALA A 37 -5.733 -0.685 -2.413 1.00 0.00 N ATOM 560 CA ALA A 37 -4.521 0.105 -2.245 1.00 0.00 C ATOM 561 C ALA A 37 -3.289 -0.779 -2.030 1.00 0.00 C ATOM 562 O ALA A 37 -2.273 -0.604 -2.703 1.00 0.00 O ATOM 563 CB ALA A 37 -4.683 1.064 -1.064 1.00 0.00 C ATOM 0 H ALA A 37 -6.410 -0.596 -1.656 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.367 0.673 -3.163 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -3.773 1.651 -0.945 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -5.524 1.732 -1.250 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -4.868 0.493 -0.154 1.00 0.00 H new ATOM 569 N PHE A 38 -3.370 -1.715 -1.083 1.00 0.00 N ATOM 570 CA PHE A 38 -2.230 -2.587 -0.796 1.00 0.00 C ATOM 571 C PHE A 38 -1.776 -3.339 -2.047 1.00 0.00 C ATOM 572 O PHE A 38 -0.579 -3.475 -2.294 1.00 0.00 O ATOM 573 CB PHE A 38 -2.593 -3.599 0.326 1.00 0.00 C ATOM 574 CG PHE A 38 -2.043 -3.128 1.660 1.00 0.00 C ATOM 575 CD1 PHE A 38 -0.659 -2.989 1.818 1.00 0.00 C ATOM 576 CD2 PHE A 38 -2.904 -2.838 2.724 1.00 0.00 C ATOM 577 CE1 PHE A 38 -0.134 -2.559 3.041 1.00 0.00 C ATOM 578 CE2 PHE A 38 -2.375 -2.409 3.950 1.00 0.00 C ATOM 579 CZ PHE A 38 -0.990 -2.271 4.107 1.00 0.00 C ATOM 0 H PHE A 38 -4.197 -1.887 -0.511 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.407 -1.957 -0.459 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.676 -3.708 0.390 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.187 -4.581 0.084 1.00 0.00 H new ATOM 0 HD1 PHE A 38 0.004 -3.214 0.995 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -3.972 -2.944 2.602 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.934 -2.450 3.161 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.036 -2.185 4.774 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.584 -1.942 5.052 1.00 0.00 H new ATOM 589 N CYS A 39 -2.727 -3.828 -2.824 1.00 0.00 N ATOM 590 CA CYS A 39 -2.393 -4.567 -4.035 1.00 0.00 C ATOM 591 C CYS A 39 -1.934 -3.630 -5.146 1.00 0.00 C ATOM 592 O CYS A 39 -0.968 -3.917 -5.855 1.00 0.00 O ATOM 593 CB CYS A 39 -3.611 -5.361 -4.506 1.00 0.00 C ATOM 594 SG CYS A 39 -4.847 -4.225 -5.176 1.00 0.00 S ATOM 0 H CYS A 39 -3.726 -3.730 -2.644 1.00 0.00 H new ATOM 0 HA CYS A 39 -1.574 -5.247 -3.802 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -3.316 -6.084 -5.266 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.033 -5.927 -3.675 1.00 0.00 H new ATOM 0 HG CYS A 39 -4.791 -3.095 -4.535 1.00 0.00 H new ATOM 600 N ALA A 40 -2.647 -2.523 -5.297 1.00 0.00 N ATOM 601 CA ALA A 40 -2.349 -1.542 -6.336 1.00 0.00 C ATOM 602 C ALA A 40 -0.945 -0.956 -6.204 1.00 0.00 C ATOM 603 O ALA A 40 -0.245 -0.778 -7.200 1.00 0.00 O ATOM 604 CB ALA A 40 -3.371 -0.409 -6.253 1.00 0.00 C ATOM 0 H ALA A 40 -3.443 -2.279 -4.708 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.401 -2.053 -7.297 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.158 0.330 -7.025 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.373 -0.811 -6.402 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.312 0.063 -5.272 1.00 0.00 H new ATOM 610 N LEU A 41 -0.551 -0.638 -4.979 1.00 0.00 N ATOM 611 CA LEU A 41 0.761 -0.052 -4.733 1.00 0.00 C ATOM 612 C LEU A 41 1.876 -1.028 -5.118 1.00 0.00 C ATOM 613 O LEU A 41 2.861 -0.645 -5.751 1.00 0.00 O ATOM 614 CB LEU A 41 0.852 0.322 -3.246 1.00 0.00 C ATOM 615 CG LEU A 41 2.202 0.971 -2.912 1.00 0.00 C ATOM 616 CD1 LEU A 41 2.339 2.322 -3.636 1.00 0.00 C ATOM 617 CD2 LEU A 41 2.273 1.191 -1.395 1.00 0.00 C ATOM 0 H LEU A 41 -1.118 -0.775 -4.142 1.00 0.00 H new ATOM 0 HA LEU A 41 0.887 0.840 -5.347 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.044 1.008 -2.992 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.715 -0.571 -2.636 1.00 0.00 H new ATOM 0 HG LEU A 41 3.012 0.320 -3.239 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.301 2.771 -3.390 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.276 2.166 -4.713 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.536 2.988 -3.319 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.227 1.652 -1.138 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.458 1.845 -1.084 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.184 0.232 -0.884 1.00 0.00 H new ATOM 629 N ILE A 42 1.708 -2.286 -4.738 1.00 0.00 N ATOM 630 CA ILE A 42 2.699 -3.325 -5.044 1.00 0.00 C ATOM 631 C ILE A 42 2.793 -3.595 -6.546 1.00 0.00 C ATOM 632 O ILE A 42 3.885 -3.719 -7.099 1.00 0.00 O ATOM 633 CB ILE A 42 2.302 -4.617 -4.299 1.00 0.00 C ATOM 634 CG1 ILE A 42 2.454 -4.410 -2.778 1.00 0.00 C ATOM 635 CG2 ILE A 42 3.161 -5.814 -4.740 1.00 0.00 C ATOM 636 CD1 ILE A 42 3.914 -4.093 -2.389 1.00 0.00 C ATOM 0 H ILE A 42 0.897 -2.619 -4.217 1.00 0.00 H new ATOM 0 HA ILE A 42 3.680 -2.980 -4.716 1.00 0.00 H new ATOM 0 HB ILE A 42 1.263 -4.836 -4.545 1.00 0.00 H new ATOM 0 HG12 ILE A 42 1.806 -3.595 -2.455 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.124 -5.307 -2.254 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.852 -6.705 -4.193 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.031 -5.981 -5.809 1.00 0.00 H new ATOM 0 HG23 ILE A 42 4.210 -5.606 -4.530 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.981 -3.954 -1.310 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.558 -4.920 -2.689 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.235 -3.181 -2.893 1.00 0.00 H new ATOM 648 N HIS A 43 1.639 -3.702 -7.199 1.00 0.00 N ATOM 649 CA HIS A 43 1.592 -3.987 -8.632 1.00 0.00 C ATOM 650 C HIS A 43 2.389 -2.956 -9.432 1.00 0.00 C ATOM 651 O HIS A 43 2.668 -3.149 -10.615 1.00 0.00 O ATOM 652 CB HIS A 43 0.132 -3.982 -9.095 1.00 0.00 C ATOM 653 CG HIS A 43 0.049 -4.346 -10.552 1.00 0.00 C ATOM 654 ND1 HIS A 43 -0.637 -3.565 -11.469 1.00 0.00 N ATOM 655 CD2 HIS A 43 0.546 -5.410 -11.262 1.00 0.00 C ATOM 656 CE1 HIS A 43 -0.539 -4.168 -12.668 1.00 0.00 C ATOM 657 NE2 HIS A 43 0.172 -5.297 -12.598 1.00 0.00 N ATOM 0 H HIS A 43 0.724 -3.596 -6.760 1.00 0.00 H new ATOM 0 HA HIS A 43 2.040 -4.965 -8.806 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -0.448 -4.689 -8.502 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -0.305 -2.997 -8.933 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -1.127 -2.692 -11.271 1.00 0.00 H new ATOM 0 HD2 HIS A 43 1.137 -6.213 -10.847 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -0.981 -3.786 -13.576 1.00 0.00 H new ATOM 665 N LYS A 44 2.735 -1.859 -8.771 1.00 0.00 N ATOM 666 CA LYS A 44 3.479 -0.779 -9.415 1.00 0.00 C ATOM 667 C LYS A 44 4.950 -1.157 -9.622 1.00 0.00 C ATOM 668 O LYS A 44 5.562 -0.821 -10.632 1.00 0.00 O ATOM 669 CB LYS A 44 3.407 0.490 -8.550 1.00 0.00 C ATOM 670 CG LYS A 44 3.381 1.749 -9.427 1.00 0.00 C ATOM 671 CD LYS A 44 4.580 1.758 -10.377 1.00 0.00 C ATOM 672 CE LYS A 44 4.707 3.134 -11.025 1.00 0.00 C ATOM 673 NZ LYS A 44 5.908 3.155 -11.902 1.00 0.00 N ATOM 0 H LYS A 44 2.513 -1.692 -7.790 1.00 0.00 H new ATOM 0 HA LYS A 44 3.026 -0.599 -10.390 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.515 0.459 -7.925 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.265 0.527 -7.879 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.454 1.783 -10.000 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.400 2.639 -8.798 1.00 0.00 H new ATOM 0 HD2 LYS A 44 5.492 1.516 -9.831 1.00 0.00 H new ATOM 0 HD3 LYS A 44 4.455 0.993 -11.144 1.00 0.00 H new ATOM 0 HE2 LYS A 44 3.813 3.358 -11.607 1.00 0.00 H new ATOM 0 HE3 LYS A 44 4.789 3.904 -10.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 5.998 4.091 -12.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.756 2.958 -11.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.811 2.430 -12.641 1.00 0.00 H new ATOM 687 N PHE A 45 5.519 -1.833 -8.626 1.00 0.00 N ATOM 688 CA PHE A 45 6.931 -2.212 -8.676 1.00 0.00 C ATOM 689 C PHE A 45 7.114 -3.671 -9.094 1.00 0.00 C ATOM 690 O PHE A 45 8.222 -4.088 -9.431 1.00 0.00 O ATOM 691 CB PHE A 45 7.545 -2.003 -7.285 1.00 0.00 C ATOM 692 CG PHE A 45 6.922 -0.788 -6.620 1.00 0.00 C ATOM 693 CD1 PHE A 45 6.914 0.459 -7.268 1.00 0.00 C ATOM 694 CD2 PHE A 45 6.353 -0.913 -5.345 1.00 0.00 C ATOM 695 CE1 PHE A 45 6.339 1.571 -6.636 1.00 0.00 C ATOM 696 CE2 PHE A 45 5.779 0.199 -4.719 1.00 0.00 C ATOM 697 CZ PHE A 45 5.773 1.440 -5.363 1.00 0.00 C ATOM 0 H PHE A 45 5.030 -2.128 -7.781 1.00 0.00 H new ATOM 0 HA PHE A 45 7.428 -1.589 -9.420 1.00 0.00 H new ATOM 0 HB2 PHE A 45 7.382 -2.888 -6.670 1.00 0.00 H new ATOM 0 HB3 PHE A 45 8.623 -1.868 -7.371 1.00 0.00 H new ATOM 0 HD1 PHE A 45 7.350 0.561 -8.251 1.00 0.00 H new ATOM 0 HD2 PHE A 45 6.358 -1.870 -4.845 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.333 2.530 -7.133 1.00 0.00 H new ATOM 0 HE2 PHE A 45 5.340 0.099 -3.737 1.00 0.00 H new ATOM 0 HZ PHE A 45 5.331 2.298 -4.878 1.00 0.00 H new ATOM 707 N PHE A 46 6.037 -4.445 -9.046 1.00 0.00 N ATOM 708 CA PHE A 46 6.102 -5.867 -9.392 1.00 0.00 C ATOM 709 C PHE A 46 5.068 -6.228 -10.478 1.00 0.00 C ATOM 710 O PHE A 46 3.902 -6.440 -10.160 1.00 0.00 O ATOM 711 CB PHE A 46 5.834 -6.657 -8.121 1.00 0.00 C ATOM 712 CG PHE A 46 6.893 -6.300 -7.114 1.00 0.00 C ATOM 713 CD1 PHE A 46 8.136 -6.935 -7.160 1.00 0.00 C ATOM 714 CD2 PHE A 46 6.639 -5.326 -6.139 1.00 0.00 C ATOM 715 CE1 PHE A 46 9.126 -6.605 -6.233 1.00 0.00 C ATOM 716 CE2 PHE A 46 7.629 -4.994 -5.211 1.00 0.00 C ATOM 717 CZ PHE A 46 8.873 -5.635 -5.258 1.00 0.00 C ATOM 0 H PHE A 46 5.110 -4.118 -8.773 1.00 0.00 H new ATOM 0 HA PHE A 46 7.085 -6.106 -9.798 1.00 0.00 H new ATOM 0 HB2 PHE A 46 4.844 -6.424 -7.730 1.00 0.00 H new ATOM 0 HB3 PHE A 46 5.851 -7.727 -8.328 1.00 0.00 H new ATOM 0 HD1 PHE A 46 8.332 -7.683 -7.914 1.00 0.00 H new ATOM 0 HD2 PHE A 46 5.679 -4.833 -6.105 1.00 0.00 H new ATOM 0 HE1 PHE A 46 10.086 -7.098 -6.269 1.00 0.00 H new ATOM 0 HE2 PHE A 46 7.435 -4.244 -4.458 1.00 0.00 H new ATOM 0 HZ PHE A 46 9.638 -5.380 -4.540 1.00 0.00 H new ATOM 727 N PRO A 47 5.452 -6.303 -11.748 1.00 0.00 N ATOM 728 CA PRO A 47 4.493 -6.654 -12.841 1.00 0.00 C ATOM 729 C PRO A 47 4.159 -8.144 -12.844 1.00 0.00 C ATOM 730 O PRO A 47 3.016 -8.540 -13.083 1.00 0.00 O ATOM 731 CB PRO A 47 5.222 -6.251 -14.148 1.00 0.00 C ATOM 732 CG PRO A 47 6.557 -5.682 -13.741 1.00 0.00 C ATOM 733 CD PRO A 47 6.803 -6.082 -12.284 1.00 0.00 C ATOM 0 HA PRO A 47 3.540 -6.140 -12.719 1.00 0.00 H new ATOM 0 HB2 PRO A 47 5.352 -7.114 -14.801 1.00 0.00 H new ATOM 0 HB3 PRO A 47 4.641 -5.515 -14.704 1.00 0.00 H new ATOM 0 HG2 PRO A 47 7.349 -6.066 -14.383 1.00 0.00 H new ATOM 0 HG3 PRO A 47 6.560 -4.597 -13.846 1.00 0.00 H new ATOM 0 HD2 PRO A 47 7.413 -6.982 -12.214 1.00 0.00 H new ATOM 0 HD3 PRO A 47 7.327 -5.298 -11.737 1.00 0.00 H new ATOM 741 N GLU A 48 5.168 -8.962 -12.563 1.00 0.00 N ATOM 742 CA GLU A 48 4.981 -10.403 -12.527 1.00 0.00 C ATOM 743 C GLU A 48 4.025 -10.746 -11.392 1.00 0.00 C ATOM 744 O GLU A 48 3.563 -11.878 -11.253 1.00 0.00 O ATOM 745 CB GLU A 48 6.334 -11.106 -12.326 1.00 0.00 C ATOM 746 CG GLU A 48 6.154 -12.620 -12.464 1.00 0.00 C ATOM 747 CD GLU A 48 7.510 -13.319 -12.418 1.00 0.00 C ATOM 748 OE1 GLU A 48 8.513 -12.634 -12.525 1.00 0.00 O ATOM 749 OE2 GLU A 48 7.525 -14.533 -12.289 1.00 0.00 O ATOM 0 H GLU A 48 6.118 -8.651 -12.358 1.00 0.00 H new ATOM 0 HA GLU A 48 4.559 -10.746 -13.471 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.054 -10.747 -13.061 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.737 -10.866 -11.342 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.517 -12.992 -11.661 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.650 -12.849 -13.403 1.00 0.00 H new ATOM 756 N ALA A 49 3.745 -9.725 -10.585 1.00 0.00 N ATOM 757 CA ALA A 49 2.857 -9.864 -9.434 1.00 0.00 C ATOM 758 C ALA A 49 1.500 -10.409 -9.816 1.00 0.00 C ATOM 759 O ALA A 49 1.200 -11.585 -9.594 1.00 0.00 O ATOM 760 CB ALA A 49 2.646 -8.493 -8.789 1.00 0.00 C ATOM 0 H ALA A 49 4.124 -8.786 -10.709 1.00 0.00 H new ATOM 0 HA ALA A 49 3.332 -10.564 -8.747 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.983 -8.593 -7.929 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.606 -8.093 -8.463 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.198 -7.814 -9.515 1.00 0.00 H new ATOM 766 N PHE A 50 0.704 -9.551 -10.408 1.00 0.00 N ATOM 767 CA PHE A 50 -0.630 -9.910 -10.846 1.00 0.00 C ATOM 768 C PHE A 50 -1.223 -8.781 -11.675 1.00 0.00 C ATOM 769 O PHE A 50 -0.725 -7.656 -11.656 1.00 0.00 O ATOM 770 CB PHE A 50 -1.524 -10.190 -9.634 1.00 0.00 C ATOM 771 CG PHE A 50 -1.347 -9.095 -8.602 1.00 0.00 C ATOM 772 CD1 PHE A 50 -2.034 -7.881 -8.738 1.00 0.00 C ATOM 773 CD2 PHE A 50 -0.499 -9.297 -7.502 1.00 0.00 C ATOM 774 CE1 PHE A 50 -1.873 -6.870 -7.779 1.00 0.00 C ATOM 775 CE2 PHE A 50 -0.338 -8.286 -6.545 1.00 0.00 C ATOM 776 CZ PHE A 50 -1.024 -7.072 -6.684 1.00 0.00 C ATOM 0 H PHE A 50 0.960 -8.583 -10.601 1.00 0.00 H new ATOM 0 HA PHE A 50 -0.571 -10.810 -11.458 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.567 -10.244 -9.945 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.270 -11.157 -9.199 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.688 -7.724 -9.583 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.030 -10.232 -7.393 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.404 -5.936 -7.885 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.315 -8.443 -5.699 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.898 -6.293 -5.947 1.00 0.00 H new ATOM 786 N ASP A 51 -2.303 -9.081 -12.374 1.00 0.00 N ATOM 787 CA ASP A 51 -2.985 -8.078 -13.183 1.00 0.00 C ATOM 788 C ASP A 51 -4.020 -7.357 -12.325 1.00 0.00 C ATOM 789 O ASP A 51 -5.096 -7.894 -12.056 1.00 0.00 O ATOM 790 CB ASP A 51 -3.668 -8.738 -14.384 1.00 0.00 C ATOM 791 CG ASP A 51 -4.228 -10.100 -13.992 1.00 0.00 C ATOM 792 OD1 ASP A 51 -4.410 -10.327 -12.808 1.00 0.00 O ATOM 793 OD2 ASP A 51 -4.472 -10.894 -14.885 1.00 0.00 O ATOM 0 H ASP A 51 -2.728 -10.008 -12.400 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.254 -7.359 -13.553 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.471 -8.099 -14.751 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.954 -8.852 -15.200 1.00 0.00 H new ATOM 798 N TYR A 52 -3.684 -6.153 -11.884 1.00 0.00 N ATOM 799 CA TYR A 52 -4.584 -5.370 -11.042 1.00 0.00 C ATOM 800 C TYR A 52 -5.842 -4.989 -11.790 1.00 0.00 C ATOM 801 O TYR A 52 -6.861 -4.661 -11.183 1.00 0.00 O ATOM 802 CB TYR A 52 -3.878 -4.094 -10.583 1.00 0.00 C ATOM 803 CG TYR A 52 -4.860 -3.176 -9.878 1.00 0.00 C ATOM 804 CD1 TYR A 52 -5.059 -3.288 -8.500 1.00 0.00 C ATOM 805 CD2 TYR A 52 -5.575 -2.222 -10.613 1.00 0.00 C ATOM 806 CE1 TYR A 52 -5.973 -2.445 -7.854 1.00 0.00 C ATOM 807 CE2 TYR A 52 -6.489 -1.377 -9.967 1.00 0.00 C ATOM 808 CZ TYR A 52 -6.687 -1.490 -8.586 1.00 0.00 C ATOM 809 OH TYR A 52 -7.585 -0.658 -7.948 1.00 0.00 O ATOM 0 H TYR A 52 -2.797 -5.696 -12.094 1.00 0.00 H new ATOM 0 HA TYR A 52 -4.858 -5.983 -10.183 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -3.057 -4.345 -9.911 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -3.442 -3.582 -11.441 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.509 -4.024 -7.933 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -5.422 -2.137 -11.679 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -6.127 -2.533 -6.789 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -7.039 -0.641 -10.534 1.00 0.00 H new ATOM 0 HH TYR A 52 -7.764 0.124 -8.511 1.00 0.00 H new ATOM 819 N ALA A 53 -5.766 -5.029 -13.104 1.00 0.00 N ATOM 820 CA ALA A 53 -6.906 -4.677 -13.930 1.00 0.00 C ATOM 821 C ALA A 53 -7.895 -5.828 -14.003 1.00 0.00 C ATOM 822 O ALA A 53 -9.009 -5.670 -14.505 1.00 0.00 O ATOM 823 CB ALA A 53 -6.425 -4.323 -15.337 1.00 0.00 C ATOM 0 H ALA A 53 -4.931 -5.300 -13.623 1.00 0.00 H new ATOM 0 HA ALA A 53 -7.408 -3.818 -13.484 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -7.281 -4.058 -15.958 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -5.739 -3.477 -15.285 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -5.912 -5.180 -15.772 1.00 0.00 H new ATOM 829 N GLU A 54 -7.484 -6.998 -13.510 1.00 0.00 N ATOM 830 CA GLU A 54 -8.330 -8.179 -13.533 1.00 0.00 C ATOM 831 C GLU A 54 -8.974 -8.401 -12.174 1.00 0.00 C ATOM 832 O GLU A 54 -9.869 -9.230 -12.034 1.00 0.00 O ATOM 833 CB GLU A 54 -7.462 -9.390 -13.880 1.00 0.00 C ATOM 834 CG GLU A 54 -8.220 -10.343 -14.814 1.00 0.00 C ATOM 835 CD GLU A 54 -9.451 -10.899 -14.104 1.00 0.00 C ATOM 836 OE1 GLU A 54 -9.314 -11.326 -12.969 1.00 0.00 O ATOM 837 OE2 GLU A 54 -10.513 -10.890 -14.706 1.00 0.00 O ATOM 0 H GLU A 54 -6.566 -7.147 -13.090 1.00 0.00 H new ATOM 0 HA GLU A 54 -9.118 -8.044 -14.274 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.540 -9.059 -14.358 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.178 -9.915 -12.968 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -8.519 -9.816 -15.720 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -7.567 -11.160 -15.121 1.00 0.00 H new ATOM 844 N LEU A 55 -8.501 -7.674 -11.169 1.00 0.00 N ATOM 845 CA LEU A 55 -9.031 -7.814 -9.823 1.00 0.00 C ATOM 846 C LEU A 55 -10.326 -7.033 -9.662 1.00 0.00 C ATOM 847 O LEU A 55 -10.561 -6.045 -10.359 1.00 0.00 O ATOM 848 CB LEU A 55 -7.981 -7.308 -8.835 1.00 0.00 C ATOM 849 CG LEU A 55 -6.772 -8.266 -8.832 1.00 0.00 C ATOM 850 CD1 LEU A 55 -5.614 -7.660 -8.013 1.00 0.00 C ATOM 851 CD2 LEU A 55 -7.176 -9.635 -8.236 1.00 0.00 C ATOM 0 H LEU A 55 -7.755 -6.985 -11.262 1.00 0.00 H new ATOM 0 HA LEU A 55 -9.254 -8.863 -9.629 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.661 -6.303 -9.111 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.409 -7.243 -7.835 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.441 -8.411 -9.860 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.767 -8.346 -8.018 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.315 -6.709 -8.455 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.941 -7.496 -6.986 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.314 -10.302 -8.240 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.524 -9.498 -7.212 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.975 -10.071 -8.836 1.00 0.00 H new ATOM 863 N ASP A 56 -11.170 -7.499 -8.741 1.00 0.00 N ATOM 864 CA ASP A 56 -12.460 -6.866 -8.484 1.00 0.00 C ATOM 865 C ASP A 56 -12.574 -6.485 -6.996 1.00 0.00 C ATOM 866 O ASP A 56 -11.822 -6.997 -6.162 1.00 0.00 O ATOM 867 CB ASP A 56 -13.580 -7.854 -8.866 1.00 0.00 C ATOM 868 CG ASP A 56 -13.838 -7.814 -10.364 1.00 0.00 C ATOM 869 OD1 ASP A 56 -13.021 -8.336 -11.101 1.00 0.00 O ATOM 870 OD2 ASP A 56 -14.859 -7.269 -10.751 1.00 0.00 O ATOM 0 H ASP A 56 -10.981 -8.316 -8.160 1.00 0.00 H new ATOM 0 HA ASP A 56 -12.551 -5.958 -9.079 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -13.300 -8.864 -8.566 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -14.494 -7.603 -8.327 1.00 0.00 H new ATOM 875 N PRO A 57 -13.493 -5.608 -6.639 1.00 0.00 N ATOM 876 CA PRO A 57 -13.684 -5.187 -5.224 1.00 0.00 C ATOM 877 C PRO A 57 -14.399 -6.287 -4.445 1.00 0.00 C ATOM 878 O PRO A 57 -14.520 -6.230 -3.226 1.00 0.00 O ATOM 879 CB PRO A 57 -14.553 -3.907 -5.301 1.00 0.00 C ATOM 880 CG PRO A 57 -14.850 -3.672 -6.762 1.00 0.00 C ATOM 881 CD PRO A 57 -14.453 -4.939 -7.526 1.00 0.00 C ATOM 0 HA PRO A 57 -12.740 -5.001 -4.711 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -15.475 -4.031 -4.734 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -14.026 -3.055 -4.871 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -15.908 -3.453 -6.907 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -14.293 -2.811 -7.132 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -15.318 -5.571 -7.726 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -14.004 -4.699 -8.490 1.00 0.00 H new ATOM 889 N ALA A 58 -14.880 -7.274 -5.183 1.00 0.00 N ATOM 890 CA ALA A 58 -15.595 -8.399 -4.593 1.00 0.00 C ATOM 891 C ALA A 58 -14.608 -9.429 -4.072 1.00 0.00 C ATOM 892 O ALA A 58 -14.981 -10.387 -3.394 1.00 0.00 O ATOM 893 CB ALA A 58 -16.492 -9.040 -5.650 1.00 0.00 C ATOM 0 H ALA A 58 -14.789 -7.321 -6.198 1.00 0.00 H new ATOM 0 HA ALA A 58 -16.204 -8.040 -3.763 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -17.028 -9.882 -5.211 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -17.209 -8.304 -6.014 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -15.881 -9.393 -6.481 1.00 0.00 H new ATOM 899 N LYS A 59 -13.339 -9.229 -4.422 1.00 0.00 N ATOM 900 CA LYS A 59 -12.266 -10.141 -4.024 1.00 0.00 C ATOM 901 C LYS A 59 -11.301 -9.471 -3.047 1.00 0.00 C ATOM 902 O LYS A 59 -10.098 -9.416 -3.294 1.00 0.00 O ATOM 903 CB LYS A 59 -11.498 -10.584 -5.280 1.00 0.00 C ATOM 904 CG LYS A 59 -12.385 -11.496 -6.145 1.00 0.00 C ATOM 905 CD LYS A 59 -11.636 -11.896 -7.427 1.00 0.00 C ATOM 906 CE LYS A 59 -12.521 -12.815 -8.272 1.00 0.00 C ATOM 907 NZ LYS A 59 -11.797 -13.181 -9.522 1.00 0.00 N ATOM 0 H LYS A 59 -13.026 -8.438 -4.985 1.00 0.00 H new ATOM 0 HA LYS A 59 -12.709 -11.002 -3.524 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -11.190 -9.711 -5.855 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.589 -11.113 -4.993 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -12.662 -12.388 -5.582 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -13.311 -10.980 -6.401 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.369 -11.006 -7.997 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.705 -12.403 -7.173 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -12.775 -13.713 -7.709 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -13.459 -12.315 -8.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -12.395 -13.806 -10.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -11.576 -12.319 -10.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -10.914 -13.674 -9.280 1.00 0.00 H new ATOM 921 N ARG A 60 -11.833 -8.953 -1.943 1.00 0.00 N ATOM 922 CA ARG A 60 -10.998 -8.279 -0.948 1.00 0.00 C ATOM 923 C ARG A 60 -10.080 -9.252 -0.201 1.00 0.00 C ATOM 924 O ARG A 60 -8.890 -8.989 -0.035 1.00 0.00 O ATOM 925 CB ARG A 60 -11.894 -7.549 0.062 1.00 0.00 C ATOM 926 CG ARG A 60 -12.545 -6.348 -0.623 1.00 0.00 C ATOM 927 CD ARG A 60 -13.482 -5.642 0.358 1.00 0.00 C ATOM 928 NE ARG A 60 -14.590 -6.520 0.710 1.00 0.00 N ATOM 929 CZ ARG A 60 -15.304 -6.319 1.812 1.00 0.00 C ATOM 930 NH1 ARG A 60 -15.850 -5.155 2.033 1.00 0.00 N ATOM 931 NH2 ARG A 60 -15.459 -7.287 2.673 1.00 0.00 N ATOM 0 H ARG A 60 -12.827 -8.985 -1.715 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.363 -7.570 -1.480 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -12.659 -8.225 0.443 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -11.305 -7.220 0.918 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -11.778 -5.656 -0.971 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -13.101 -6.675 -1.501 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -12.934 -5.357 1.256 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -13.863 -4.723 -0.088 1.00 0.00 H new ATOM 0 HE ARG A 60 -14.822 -7.303 0.099 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -15.729 -4.399 1.359 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -16.398 -5.001 2.879 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -15.032 -8.197 2.500 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -16.007 -7.134 3.520 1.00 0.00 H new ATOM 945 N ARG A 61 -10.623 -10.373 0.248 1.00 0.00 N ATOM 946 CA ARG A 61 -9.815 -11.342 0.991 1.00 0.00 C ATOM 947 C ARG A 61 -8.569 -11.712 0.212 1.00 0.00 C ATOM 948 O ARG A 61 -7.449 -11.614 0.716 1.00 0.00 O ATOM 949 CB ARG A 61 -10.631 -12.607 1.229 1.00 0.00 C ATOM 950 CG ARG A 61 -9.911 -13.508 2.232 1.00 0.00 C ATOM 951 CD ARG A 61 -10.745 -14.767 2.473 1.00 0.00 C ATOM 952 NE ARG A 61 -10.160 -15.561 3.551 1.00 0.00 N ATOM 953 CZ ARG A 61 -10.842 -16.546 4.129 1.00 0.00 C ATOM 954 NH1 ARG A 61 -11.203 -17.587 3.433 1.00 0.00 N ATOM 955 NH2 ARG A 61 -11.148 -16.469 5.397 1.00 0.00 N ATOM 0 H ARG A 61 -11.600 -10.636 0.117 1.00 0.00 H new ATOM 0 HA ARG A 61 -9.525 -10.890 1.939 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -11.620 -12.347 1.605 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -10.777 -13.139 0.289 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -8.925 -13.778 1.853 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -9.756 -12.976 3.170 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -11.768 -14.491 2.729 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -10.794 -15.360 1.560 1.00 0.00 H new ATOM 0 HE ARG A 61 -9.212 -15.356 3.866 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -10.963 -17.647 2.444 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -11.726 -18.341 3.878 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -10.864 -15.655 5.942 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -11.671 -17.223 5.842 1.00 0.00 H new ATOM 969 N HIS A 62 -8.781 -12.123 -1.025 1.00 0.00 N ATOM 970 CA HIS A 62 -7.693 -12.505 -1.899 1.00 0.00 C ATOM 971 C HIS A 62 -6.769 -11.322 -2.163 1.00 0.00 C ATOM 972 O HIS A 62 -5.560 -11.483 -2.259 1.00 0.00 O ATOM 973 CB HIS A 62 -8.267 -13.014 -3.216 1.00 0.00 C ATOM 974 CG HIS A 62 -8.832 -14.400 -3.027 1.00 0.00 C ATOM 975 ND1 HIS A 62 -8.021 -15.526 -2.978 1.00 0.00 N ATOM 976 CD2 HIS A 62 -10.117 -14.858 -2.883 1.00 0.00 C ATOM 977 CE1 HIS A 62 -8.823 -16.594 -2.810 1.00 0.00 C ATOM 978 NE2 HIS A 62 -10.110 -16.243 -2.745 1.00 0.00 N ATOM 0 H HIS A 62 -9.706 -12.200 -1.447 1.00 0.00 H new ATOM 0 HA HIS A 62 -7.112 -13.291 -1.417 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -9.047 -12.339 -3.568 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -7.490 -13.030 -3.980 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -11.001 -14.237 -2.878 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -8.469 -17.612 -2.737 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -10.915 -16.858 -2.621 1.00 0.00 H new ATOM 986 N ASN A 63 -7.353 -10.136 -2.267 1.00 0.00 N ATOM 987 CA ASN A 63 -6.578 -8.920 -2.524 1.00 0.00 C ATOM 988 C ASN A 63 -5.604 -8.660 -1.394 1.00 0.00 C ATOM 989 O ASN A 63 -4.440 -8.334 -1.625 1.00 0.00 O ATOM 990 CB ASN A 63 -7.524 -7.726 -2.648 1.00 0.00 C ATOM 991 CG ASN A 63 -6.765 -6.438 -2.964 1.00 0.00 C ATOM 992 OD1 ASN A 63 -5.861 -6.046 -2.232 1.00 0.00 O ATOM 993 ND2 ASN A 63 -7.102 -5.743 -4.020 1.00 0.00 N ATOM 0 H ASN A 63 -8.358 -9.985 -2.178 1.00 0.00 H new ATOM 0 HA ASN A 63 -6.021 -9.055 -3.451 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.255 -7.920 -3.433 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -8.080 -7.603 -1.718 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -6.613 -4.874 -4.236 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -7.853 -6.070 -4.627 1.00 0.00 H new ATOM 1000 N PHE A 64 -6.081 -8.812 -0.173 1.00 0.00 N ATOM 1001 CA PHE A 64 -5.219 -8.588 0.973 1.00 0.00 C ATOM 1002 C PHE A 64 -4.157 -9.680 1.046 1.00 0.00 C ATOM 1003 O PHE A 64 -2.959 -9.396 1.025 1.00 0.00 O ATOM 1004 CB PHE A 64 -6.047 -8.555 2.271 1.00 0.00 C ATOM 1005 CG PHE A 64 -6.742 -7.211 2.415 1.00 0.00 C ATOM 1006 CD1 PHE A 64 -5.994 -6.068 2.738 1.00 0.00 C ATOM 1007 CD2 PHE A 64 -8.126 -7.107 2.228 1.00 0.00 C ATOM 1008 CE1 PHE A 64 -6.632 -4.827 2.869 1.00 0.00 C ATOM 1009 CE2 PHE A 64 -8.762 -5.866 2.361 1.00 0.00 C ATOM 1010 CZ PHE A 64 -8.015 -4.727 2.680 1.00 0.00 C ATOM 0 H PHE A 64 -7.039 -9.083 0.049 1.00 0.00 H new ATOM 0 HA PHE A 64 -4.725 -7.623 0.858 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -6.786 -9.356 2.260 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -5.399 -8.731 3.129 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -4.927 -6.145 2.886 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -8.704 -7.985 1.981 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -6.056 -3.947 3.116 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -9.830 -5.788 2.217 1.00 0.00 H new ATOM 0 HZ PHE A 64 -8.506 -3.770 2.780 1.00 0.00 H new ATOM 1020 N THR A 65 -4.599 -10.927 1.098 1.00 0.00 N ATOM 1021 CA THR A 65 -3.657 -12.043 1.159 1.00 0.00 C ATOM 1022 C THR A 65 -2.644 -11.921 0.034 1.00 0.00 C ATOM 1023 O THR A 65 -1.446 -12.132 0.229 1.00 0.00 O ATOM 1024 CB THR A 65 -4.386 -13.385 1.023 1.00 0.00 C ATOM 1025 OG1 THR A 65 -5.503 -13.419 1.901 1.00 0.00 O ATOM 1026 CG2 THR A 65 -3.421 -14.523 1.374 1.00 0.00 C ATOM 0 H THR A 65 -5.584 -11.193 1.099 1.00 0.00 H new ATOM 0 HA THR A 65 -3.154 -12.008 2.126 1.00 0.00 H new ATOM 0 HB THR A 65 -4.736 -13.504 -0.002 1.00 0.00 H new ATOM 0 HG1 THR A 65 -6.260 -12.956 1.485 1.00 0.00 H new ATOM 0 HG21 THR A 65 -3.936 -15.479 1.278 1.00 0.00 H new ATOM 0 HG22 THR A 65 -2.569 -14.500 0.695 1.00 0.00 H new ATOM 0 HG23 THR A 65 -3.071 -14.400 2.399 1.00 0.00 H new ATOM 1034 N LEU A 66 -3.143 -11.579 -1.146 1.00 0.00 N ATOM 1035 CA LEU A 66 -2.298 -11.437 -2.319 1.00 0.00 C ATOM 1036 C LEU A 66 -1.251 -10.358 -2.117 1.00 0.00 C ATOM 1037 O LEU A 66 -0.071 -10.575 -2.386 1.00 0.00 O ATOM 1038 CB LEU A 66 -3.180 -11.066 -3.510 1.00 0.00 C ATOM 1039 CG LEU A 66 -2.353 -10.809 -4.771 1.00 0.00 C ATOM 1040 CD1 LEU A 66 -1.694 -12.112 -5.245 1.00 0.00 C ATOM 1041 CD2 LEU A 66 -3.289 -10.287 -5.861 1.00 0.00 C ATOM 0 H LEU A 66 -4.132 -11.395 -1.314 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.782 -12.380 -2.496 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.892 -11.870 -3.700 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.761 -10.176 -3.269 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.571 -10.080 -4.558 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.108 -11.917 -6.143 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.041 -12.495 -4.461 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.465 -12.850 -5.468 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.719 -10.097 -6.770 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.060 -11.030 -6.065 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.757 -9.361 -5.526 1.00 0.00 H new ATOM 1053 N ALA A 67 -1.680 -9.193 -1.654 1.00 0.00 N ATOM 1054 CA ALA A 67 -0.742 -8.109 -1.448 1.00 0.00 C ATOM 1055 C ALA A 67 0.328 -8.524 -0.461 1.00 0.00 C ATOM 1056 O ALA A 67 1.502 -8.186 -0.613 1.00 0.00 O ATOM 1057 CB ALA A 67 -1.472 -6.879 -0.923 1.00 0.00 C ATOM 0 H ALA A 67 -2.650 -8.980 -1.420 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.273 -7.868 -2.402 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.758 -6.069 -0.771 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.226 -6.567 -1.646 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -1.955 -7.119 0.024 1.00 0.00 H new ATOM 1063 N PHE A 68 -0.085 -9.273 0.550 1.00 0.00 N ATOM 1064 CA PHE A 68 0.846 -9.733 1.561 1.00 0.00 C ATOM 1065 C PHE A 68 1.645 -10.936 1.068 1.00 0.00 C ATOM 1066 O PHE A 68 2.872 -10.950 1.170 1.00 0.00 O ATOM 1067 CB PHE A 68 0.087 -10.083 2.852 1.00 0.00 C ATOM 1068 CG PHE A 68 -0.543 -8.828 3.452 1.00 0.00 C ATOM 1069 CD1 PHE A 68 0.269 -7.763 3.869 1.00 0.00 C ATOM 1070 CD2 PHE A 68 -1.940 -8.734 3.601 1.00 0.00 C ATOM 1071 CE1 PHE A 68 -0.310 -6.611 4.425 1.00 0.00 C ATOM 1072 CE2 PHE A 68 -2.511 -7.585 4.158 1.00 0.00 C ATOM 1073 CZ PHE A 68 -1.699 -6.524 4.569 1.00 0.00 C ATOM 0 H PHE A 68 -1.050 -9.572 0.689 1.00 0.00 H new ATOM 0 HA PHE A 68 1.551 -8.928 1.770 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.687 -10.820 2.639 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.769 -10.536 3.572 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.342 -7.829 3.762 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.572 -9.551 3.285 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.318 -5.791 4.742 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.583 -7.517 4.271 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.143 -5.638 4.997 1.00 0.00 H new ATOM 1083 N SER A 69 0.959 -11.937 0.530 1.00 0.00 N ATOM 1084 CA SER A 69 1.646 -13.125 0.030 1.00 0.00 C ATOM 1085 C SER A 69 2.566 -12.777 -1.131 1.00 0.00 C ATOM 1086 O SER A 69 3.598 -13.422 -1.328 1.00 0.00 O ATOM 1087 CB SER A 69 0.633 -14.184 -0.414 1.00 0.00 C ATOM 1088 OG SER A 69 0.038 -14.777 0.733 1.00 0.00 O ATOM 0 H SER A 69 -0.056 -11.953 0.429 1.00 0.00 H new ATOM 0 HA SER A 69 2.250 -13.526 0.844 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.134 -13.730 -1.041 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.127 -14.946 -1.016 1.00 0.00 H new ATOM 0 HG SER A 69 -0.612 -15.454 0.451 1.00 0.00 H new ATOM 1094 N THR A 70 2.209 -11.744 -1.889 1.00 0.00 N ATOM 1095 CA THR A 70 3.044 -11.323 -3.004 1.00 0.00 C ATOM 1096 C THR A 70 4.272 -10.586 -2.496 1.00 0.00 C ATOM 1097 O THR A 70 5.400 -10.921 -2.851 1.00 0.00 O ATOM 1098 CB THR A 70 2.263 -10.424 -3.966 1.00 0.00 C ATOM 1099 OG1 THR A 70 1.055 -11.062 -4.348 1.00 0.00 O ATOM 1100 CG2 THR A 70 3.113 -10.150 -5.203 1.00 0.00 C ATOM 0 H THR A 70 1.362 -11.193 -1.754 1.00 0.00 H new ATOM 0 HA THR A 70 3.359 -12.217 -3.543 1.00 0.00 H new ATOM 0 HB THR A 70 2.026 -9.483 -3.470 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.340 -10.805 -3.729 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.560 -9.510 -5.890 1.00 0.00 H new ATOM 0 HG22 THR A 70 4.036 -9.652 -4.907 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.351 -11.092 -5.697 1.00 0.00 H new ATOM 1108 N ALA A 71 4.050 -9.584 -1.652 1.00 0.00 N ATOM 1109 CA ALA A 71 5.159 -8.810 -1.103 1.00 0.00 C ATOM 1110 C ALA A 71 6.086 -9.692 -0.276 1.00 0.00 C ATOM 1111 O ALA A 71 7.287 -9.434 -0.197 1.00 0.00 O ATOM 1112 CB ALA A 71 4.628 -7.672 -0.229 1.00 0.00 C ATOM 0 H ALA A 71 3.126 -9.291 -1.336 1.00 0.00 H new ATOM 0 HA ALA A 71 5.723 -8.396 -1.939 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.465 -7.102 0.175 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.998 -7.016 -0.829 1.00 0.00 H new ATOM 0 HB3 ALA A 71 4.042 -8.086 0.591 1.00 0.00 H new ATOM 1118 N GLU A 72 5.533 -10.733 0.338 1.00 0.00 N ATOM 1119 CA GLU A 72 6.342 -11.631 1.147 1.00 0.00 C ATOM 1120 C GLU A 72 7.249 -12.483 0.261 1.00 0.00 C ATOM 1121 O GLU A 72 8.456 -12.553 0.472 1.00 0.00 O ATOM 1122 CB GLU A 72 5.442 -12.542 1.992 1.00 0.00 C ATOM 1123 CG GLU A 72 6.285 -13.289 3.033 1.00 0.00 C ATOM 1124 CD GLU A 72 7.066 -14.417 2.368 1.00 0.00 C ATOM 1125 OE1 GLU A 72 6.644 -14.866 1.316 1.00 0.00 O ATOM 1126 OE2 GLU A 72 8.078 -14.817 2.922 1.00 0.00 O ATOM 0 H GLU A 72 4.542 -10.972 0.291 1.00 0.00 H new ATOM 0 HA GLU A 72 6.963 -11.027 1.809 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.675 -11.949 2.490 1.00 0.00 H new ATOM 0 HB3 GLU A 72 4.926 -13.255 1.349 1.00 0.00 H new ATOM 0 HG2 GLU A 72 6.974 -12.597 3.518 1.00 0.00 H new ATOM 0 HG3 GLU A 72 5.639 -13.694 3.812 1.00 0.00 H new ATOM 1133 N LYS A 73 6.677 -13.146 -0.725 1.00 0.00 N ATOM 1134 CA LYS A 73 7.485 -13.995 -1.584 1.00 0.00 C ATOM 1135 C LYS A 73 8.535 -13.174 -2.331 1.00 0.00 C ATOM 1136 O LYS A 73 9.664 -13.624 -2.522 1.00 0.00 O ATOM 1137 CB LYS A 73 6.577 -14.731 -2.588 1.00 0.00 C ATOM 1138 CG LYS A 73 7.383 -15.792 -3.377 1.00 0.00 C ATOM 1139 CD LYS A 73 6.446 -16.596 -4.296 1.00 0.00 C ATOM 1140 CE LYS A 73 7.247 -17.684 -5.020 1.00 0.00 C ATOM 1141 NZ LYS A 73 8.341 -17.051 -5.809 1.00 0.00 N ATOM 0 H LYS A 73 5.682 -13.117 -0.949 1.00 0.00 H new ATOM 0 HA LYS A 73 8.004 -14.724 -0.962 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.755 -15.212 -2.058 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.135 -14.014 -3.280 1.00 0.00 H new ATOM 0 HG2 LYS A 73 8.156 -15.304 -3.971 1.00 0.00 H new ATOM 0 HG3 LYS A 73 7.889 -16.464 -2.684 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.646 -17.048 -3.710 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.975 -15.933 -5.022 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.664 -18.386 -4.297 1.00 0.00 H new ATOM 0 HE3 LYS A 73 6.593 -18.255 -5.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 8.663 -17.710 -6.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 7.989 -16.179 -6.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 9.136 -16.822 -5.179 1.00 0.00 H new ATOM 1155 N LEU A 74 8.146 -11.982 -2.771 1.00 0.00 N ATOM 1156 CA LEU A 74 9.045 -11.118 -3.523 1.00 0.00 C ATOM 1157 C LEU A 74 10.054 -10.389 -2.632 1.00 0.00 C ATOM 1158 O LEU A 74 11.241 -10.351 -2.957 1.00 0.00 O ATOM 1159 CB LEU A 74 8.222 -10.082 -4.302 1.00 0.00 C ATOM 1160 CG LEU A 74 7.336 -10.781 -5.354 1.00 0.00 C ATOM 1161 CD1 LEU A 74 6.451 -9.729 -6.041 1.00 0.00 C ATOM 1162 CD2 LEU A 74 8.214 -11.480 -6.411 1.00 0.00 C ATOM 0 H LEU A 74 7.215 -11.594 -2.619 1.00 0.00 H new ATOM 0 HA LEU A 74 9.611 -11.757 -4.200 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.599 -9.511 -3.614 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.889 -9.372 -4.792 1.00 0.00 H new ATOM 0 HG LEU A 74 6.715 -11.529 -4.861 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.821 -10.214 -6.787 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.822 -9.241 -5.297 1.00 0.00 H new ATOM 0 HD13 LEU A 74 7.081 -8.985 -6.528 1.00 0.00 H new ATOM 0 HD21 LEU A 74 7.577 -11.969 -7.147 1.00 0.00 H new ATOM 0 HD22 LEU A 74 8.842 -10.741 -6.909 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.845 -12.224 -5.925 1.00 0.00 H new ATOM 1174 N ALA A 75 9.601 -9.778 -1.523 1.00 0.00 N ATOM 1175 CA ALA A 75 10.516 -9.026 -0.662 1.00 0.00 C ATOM 1176 C ALA A 75 10.505 -9.509 0.782 1.00 0.00 C ATOM 1177 O ALA A 75 11.116 -8.876 1.645 1.00 0.00 O ATOM 1178 CB ALA A 75 10.131 -7.544 -0.698 1.00 0.00 C ATOM 0 H ALA A 75 8.630 -9.791 -1.211 1.00 0.00 H new ATOM 0 HA ALA A 75 11.524 -9.182 -1.046 1.00 0.00 H new ATOM 0 HB1 ALA A 75 10.808 -6.977 -0.059 1.00 0.00 H new ATOM 0 HB2 ALA A 75 10.202 -7.174 -1.721 1.00 0.00 H new ATOM 0 HB3 ALA A 75 9.109 -7.425 -0.340 1.00 0.00 H new ATOM 1184 N ASP A 76 9.837 -10.624 1.065 1.00 0.00 N ATOM 1185 CA ASP A 76 9.811 -11.127 2.433 1.00 0.00 C ATOM 1186 C ASP A 76 9.521 -9.984 3.406 1.00 0.00 C ATOM 1187 O ASP A 76 10.105 -9.901 4.485 1.00 0.00 O ATOM 1188 CB ASP A 76 11.155 -11.765 2.759 1.00 0.00 C ATOM 1189 CG ASP A 76 11.301 -13.091 2.016 1.00 0.00 C ATOM 1190 OD1 ASP A 76 10.301 -13.588 1.525 1.00 0.00 O ATOM 1191 OD2 ASP A 76 12.413 -13.592 1.950 1.00 0.00 O ATOM 0 H ASP A 76 9.320 -11.183 0.386 1.00 0.00 H new ATOM 0 HA ASP A 76 9.023 -11.874 2.530 1.00 0.00 H new ATOM 0 HB2 ASP A 76 11.964 -11.091 2.478 1.00 0.00 H new ATOM 0 HB3 ASP A 76 11.237 -11.930 3.833 1.00 0.00 H new ATOM 1196 N CYS A 77 8.625 -9.098 2.983 1.00 0.00 N ATOM 1197 CA CYS A 77 8.247 -7.927 3.770 1.00 0.00 C ATOM 1198 C CYS A 77 7.791 -8.291 5.185 1.00 0.00 C ATOM 1199 O CYS A 77 8.053 -9.387 5.682 1.00 0.00 O ATOM 1200 CB CYS A 77 7.122 -7.183 3.043 1.00 0.00 C ATOM 1201 SG CYS A 77 7.139 -5.437 3.520 1.00 0.00 S ATOM 0 H CYS A 77 8.141 -9.170 2.088 1.00 0.00 H new ATOM 0 HA CYS A 77 9.129 -7.295 3.871 1.00 0.00 H new ATOM 0 HB2 CYS A 77 7.248 -7.277 1.964 1.00 0.00 H new ATOM 0 HB3 CYS A 77 6.159 -7.628 3.291 1.00 0.00 H new ATOM 0 HG CYS A 77 8.001 -5.257 4.476 1.00 0.00 H new ATOM 1207 N ALA A 78 7.098 -7.343 5.815 1.00 0.00 N ATOM 1208 CA ALA A 78 6.580 -7.525 7.170 1.00 0.00 C ATOM 1209 C ALA A 78 5.191 -8.166 7.126 1.00 0.00 C ATOM 1210 O ALA A 78 4.598 -8.297 6.056 1.00 0.00 O ATOM 1211 CB ALA A 78 6.501 -6.169 7.880 1.00 0.00 C ATOM 0 H ALA A 78 6.881 -6.435 5.405 1.00 0.00 H new ATOM 0 HA ALA A 78 7.254 -8.183 7.719 1.00 0.00 H new ATOM 0 HB1 ALA A 78 6.114 -6.309 8.890 1.00 0.00 H new ATOM 0 HB2 ALA A 78 7.496 -5.726 7.930 1.00 0.00 H new ATOM 0 HB3 ALA A 78 5.836 -5.506 7.326 1.00 0.00 H new ATOM 1217 N GLN A 79 4.682 -8.561 8.289 1.00 0.00 N ATOM 1218 CA GLN A 79 3.363 -9.190 8.384 1.00 0.00 C ATOM 1219 C GLN A 79 2.600 -8.620 9.575 1.00 0.00 C ATOM 1220 O GLN A 79 1.930 -9.353 10.301 1.00 0.00 O ATOM 1221 CB GLN A 79 3.528 -10.698 8.563 1.00 0.00 C ATOM 1222 CG GLN A 79 4.052 -11.304 7.264 1.00 0.00 C ATOM 1223 CD GLN A 79 4.325 -12.793 7.450 1.00 0.00 C ATOM 1224 OE1 GLN A 79 4.095 -13.351 8.608 1.00 0.00 O flip ATOM 1225 NE2 GLN A 79 4.754 -13.467 6.513 1.00 0.00 N flip ATOM 0 H GLN A 79 5.162 -8.457 9.183 1.00 0.00 H new ATOM 0 HA GLN A 79 2.805 -8.988 7.470 1.00 0.00 H new ATOM 0 HB2 GLN A 79 4.219 -10.906 9.380 1.00 0.00 H new ATOM 0 HB3 GLN A 79 2.573 -11.151 8.830 1.00 0.00 H new ATOM 0 HG2 GLN A 79 3.324 -11.157 6.466 1.00 0.00 H new ATOM 0 HG3 GLN A 79 4.966 -10.795 6.959 1.00 0.00 H new ATOM 0 HE21 GLN A 79 4.933 -13.029 5.609 1.00 0.00 H new ATOM 0 HE22 GLN A 79 4.930 -14.464 6.640 1.00 0.00 H new ATOM 1234 N LEU A 80 2.728 -7.310 9.782 1.00 0.00 N ATOM 1235 CA LEU A 80 2.073 -6.660 10.910 1.00 0.00 C ATOM 1236 C LEU A 80 0.548 -6.658 10.745 1.00 0.00 C ATOM 1237 O LEU A 80 -0.179 -6.444 11.718 1.00 0.00 O ATOM 1238 CB LEU A 80 2.547 -5.199 11.029 1.00 0.00 C ATOM 1239 CG LEU A 80 4.040 -5.071 10.733 1.00 0.00 C ATOM 1240 CD1 LEU A 80 4.462 -3.620 10.948 1.00 0.00 C ATOM 1241 CD2 LEU A 80 4.854 -5.969 11.658 1.00 0.00 C ATOM 0 H LEU A 80 3.274 -6.685 9.189 1.00 0.00 H new ATOM 0 HA LEU A 80 2.337 -7.221 11.806 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.983 -4.574 10.337 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.341 -4.829 12.033 1.00 0.00 H new ATOM 0 HG LEU A 80 4.223 -5.375 9.702 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.527 -3.516 10.740 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.896 -2.973 10.277 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.265 -3.333 11.981 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.914 -5.861 11.429 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.675 -5.681 12.694 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.555 -7.007 11.513 1.00 0.00 H new ATOM 1253 N LEU A 81 0.060 -6.872 9.518 1.00 0.00 N ATOM 1254 CA LEU A 81 -1.399 -6.863 9.252 1.00 0.00 C ATOM 1255 C LEU A 81 -1.912 -8.235 8.810 1.00 0.00 C ATOM 1256 O LEU A 81 -1.229 -8.972 8.095 1.00 0.00 O ATOM 1257 CB LEU A 81 -1.743 -5.844 8.141 1.00 0.00 C ATOM 1258 CG LEU A 81 -0.806 -4.643 8.217 1.00 0.00 C ATOM 1259 CD1 LEU A 81 -1.079 -3.704 7.040 1.00 0.00 C ATOM 1260 CD2 LEU A 81 -1.054 -3.895 9.518 1.00 0.00 C ATOM 0 H LEU A 81 0.638 -7.052 8.697 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.881 -6.587 10.190 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.658 -6.319 7.164 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.777 -5.515 8.247 1.00 0.00 H new ATOM 0 HG LEU A 81 0.228 -4.987 8.178 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.409 -2.846 7.096 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.911 -4.236 6.104 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.112 -3.360 7.081 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.386 -3.036 9.577 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.089 -3.553 9.550 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.865 -4.559 10.361 1.00 0.00 H new ATOM 1272 N GLU A 82 -3.138 -8.545 9.227 1.00 0.00 N ATOM 1273 CA GLU A 82 -3.791 -9.803 8.875 1.00 0.00 C ATOM 1274 C GLU A 82 -4.964 -9.546 7.934 1.00 0.00 C ATOM 1275 O GLU A 82 -5.658 -8.539 8.050 1.00 0.00 O ATOM 1276 CB GLU A 82 -4.282 -10.505 10.135 1.00 0.00 C ATOM 1277 CG GLU A 82 -3.077 -10.970 10.949 1.00 0.00 C ATOM 1278 CD GLU A 82 -3.540 -11.655 12.228 1.00 0.00 C ATOM 1279 OE1 GLU A 82 -4.738 -11.711 12.446 1.00 0.00 O ATOM 1280 OE2 GLU A 82 -2.688 -12.121 12.968 1.00 0.00 O ATOM 0 H GLU A 82 -3.704 -7.934 9.816 1.00 0.00 H new ATOM 0 HA GLU A 82 -3.068 -10.442 8.368 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -4.897 -9.828 10.727 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.909 -11.357 9.871 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -2.473 -11.658 10.358 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -2.443 -10.118 11.193 1.00 0.00 H new ATOM 1287 N VAL A 83 -5.162 -10.461 6.994 1.00 0.00 N ATOM 1288 CA VAL A 83 -6.224 -10.335 6.004 1.00 0.00 C ATOM 1289 C VAL A 83 -7.595 -10.219 6.672 1.00 0.00 C ATOM 1290 O VAL A 83 -8.377 -9.320 6.360 1.00 0.00 O ATOM 1291 CB VAL A 83 -6.185 -11.590 5.127 1.00 0.00 C ATOM 1292 CG1 VAL A 83 -7.408 -11.629 4.193 1.00 0.00 C ATOM 1293 CG2 VAL A 83 -4.866 -11.615 4.316 1.00 0.00 C ATOM 0 H VAL A 83 -4.597 -11.304 6.896 1.00 0.00 H new ATOM 0 HA VAL A 83 -6.069 -9.432 5.413 1.00 0.00 H new ATOM 0 HB VAL A 83 -6.221 -12.475 5.762 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.366 -12.527 3.576 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -8.321 -11.640 4.789 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.404 -10.748 3.552 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -4.839 -12.509 3.692 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.811 -10.729 3.683 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -4.018 -11.625 5.001 1.00 0.00 H new ATOM 1303 N ASP A 84 -7.884 -11.149 7.561 1.00 0.00 N ATOM 1304 CA ASP A 84 -9.168 -11.165 8.244 1.00 0.00 C ATOM 1305 C ASP A 84 -9.436 -9.838 8.945 1.00 0.00 C ATOM 1306 O ASP A 84 -10.527 -9.276 8.830 1.00 0.00 O ATOM 1307 CB ASP A 84 -9.180 -12.295 9.274 1.00 0.00 C ATOM 1308 CG ASP A 84 -9.105 -13.642 8.564 1.00 0.00 C ATOM 1309 OD1 ASP A 84 -9.914 -13.866 7.678 1.00 0.00 O ATOM 1310 OD2 ASP A 84 -8.243 -14.426 8.915 1.00 0.00 O ATOM 0 H ASP A 84 -7.251 -11.903 7.829 1.00 0.00 H new ATOM 0 HA ASP A 84 -9.950 -11.324 7.502 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -8.337 -12.186 9.957 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -10.087 -12.241 9.876 1.00 0.00 H new ATOM 1315 N ASP A 85 -8.441 -9.337 9.665 1.00 0.00 N ATOM 1316 CA ASP A 85 -8.591 -8.078 10.374 1.00 0.00 C ATOM 1317 C ASP A 85 -8.821 -6.945 9.390 1.00 0.00 C ATOM 1318 O ASP A 85 -9.699 -6.106 9.589 1.00 0.00 O ATOM 1319 CB ASP A 85 -7.330 -7.796 11.195 1.00 0.00 C ATOM 1320 CG ASP A 85 -7.274 -8.722 12.407 1.00 0.00 C ATOM 1321 OD1 ASP A 85 -8.327 -9.145 12.853 1.00 0.00 O ATOM 1322 OD2 ASP A 85 -6.179 -8.997 12.867 1.00 0.00 O ATOM 0 H ASP A 85 -7.529 -9.781 9.772 1.00 0.00 H new ATOM 0 HA ASP A 85 -9.451 -8.149 11.040 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -6.444 -7.940 10.576 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -7.325 -6.756 11.522 1.00 0.00 H new ATOM 1327 N MET A 86 -8.042 -6.937 8.319 1.00 0.00 N ATOM 1328 CA MET A 86 -8.180 -5.904 7.309 1.00 0.00 C ATOM 1329 C MET A 86 -9.565 -5.969 6.689 1.00 0.00 C ATOM 1330 O MET A 86 -10.234 -4.951 6.503 1.00 0.00 O ATOM 1331 CB MET A 86 -7.129 -6.130 6.216 1.00 0.00 C ATOM 1332 CG MET A 86 -5.742 -5.690 6.697 1.00 0.00 C ATOM 1333 SD MET A 86 -4.881 -4.840 5.345 1.00 0.00 S ATOM 1334 CE MET A 86 -5.384 -3.159 5.789 1.00 0.00 C ATOM 0 H MET A 86 -7.315 -7.627 8.129 1.00 0.00 H new ATOM 0 HA MET A 86 -8.038 -4.926 7.770 1.00 0.00 H new ATOM 0 HB2 MET A 86 -7.106 -7.184 5.940 1.00 0.00 H new ATOM 0 HB3 MET A 86 -7.403 -5.572 5.321 1.00 0.00 H new ATOM 0 HG2 MET A 86 -5.836 -5.027 7.557 1.00 0.00 H new ATOM 0 HG3 MET A 86 -5.166 -6.556 7.023 1.00 0.00 H new ATOM 0 HE1 MET A 86 -5.260 -2.503 4.928 1.00 0.00 H new ATOM 0 HE2 MET A 86 -6.430 -3.161 6.096 1.00 0.00 H new ATOM 0 HE3 MET A 86 -4.765 -2.799 6.611 1.00 0.00 H new ATOM 1344 N VAL A 87 -9.985 -7.184 6.397 1.00 0.00 N ATOM 1345 CA VAL A 87 -11.292 -7.428 5.817 1.00 0.00 C ATOM 1346 C VAL A 87 -12.401 -7.158 6.828 1.00 0.00 C ATOM 1347 O VAL A 87 -13.433 -6.574 6.494 1.00 0.00 O ATOM 1348 CB VAL A 87 -11.365 -8.877 5.329 1.00 0.00 C ATOM 1349 CG1 VAL A 87 -12.789 -9.200 4.858 1.00 0.00 C ATOM 1350 CG2 VAL A 87 -10.379 -9.065 4.166 1.00 0.00 C ATOM 0 H VAL A 87 -9.433 -8.027 6.554 1.00 0.00 H new ATOM 0 HA VAL A 87 -11.434 -6.749 4.976 1.00 0.00 H new ATOM 0 HB VAL A 87 -11.103 -9.550 6.146 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -12.832 -10.233 4.512 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -13.485 -9.065 5.686 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -13.062 -8.532 4.041 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -10.425 -10.095 3.813 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -10.644 -8.390 3.352 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.368 -8.843 4.507 1.00 0.00 H new ATOM 1360 N ARG A 88 -12.186 -7.591 8.069 1.00 0.00 N ATOM 1361 CA ARG A 88 -13.168 -7.403 9.118 1.00 0.00 C ATOM 1362 C ARG A 88 -13.261 -5.950 9.556 1.00 0.00 C ATOM 1363 O ARG A 88 -14.352 -5.396 9.672 1.00 0.00 O ATOM 1364 CB ARG A 88 -12.772 -8.286 10.312 1.00 0.00 C ATOM 1365 CG ARG A 88 -13.637 -7.944 11.519 1.00 0.00 C ATOM 1366 CD ARG A 88 -13.453 -8.992 12.613 1.00 0.00 C ATOM 1367 NE ARG A 88 -14.053 -10.255 12.205 1.00 0.00 N ATOM 1368 CZ ARG A 88 -13.894 -11.358 12.930 1.00 0.00 C ATOM 1369 NH1 ARG A 88 -14.019 -11.311 14.228 1.00 0.00 N ATOM 1370 NH2 ARG A 88 -13.612 -12.488 12.341 1.00 0.00 N ATOM 0 H ARG A 88 -11.338 -8.074 8.366 1.00 0.00 H new ATOM 0 HA ARG A 88 -14.149 -7.685 8.735 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -12.893 -9.338 10.053 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -11.720 -8.136 10.553 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -13.369 -6.959 11.900 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -14.685 -7.897 11.223 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -12.392 -9.134 12.816 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -13.911 -8.646 13.539 1.00 0.00 H new ATOM 0 HE ARG A 88 -14.605 -10.294 11.348 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -14.239 -10.427 14.688 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -13.897 -12.158 14.783 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -13.514 -12.524 11.326 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -13.490 -13.335 12.895 1.00 0.00 H new ATOM 1384 N LEU A 89 -12.113 -5.343 9.814 1.00 0.00 N ATOM 1385 CA LEU A 89 -12.092 -3.962 10.258 1.00 0.00 C ATOM 1386 C LEU A 89 -12.689 -3.052 9.195 1.00 0.00 C ATOM 1387 O LEU A 89 -13.592 -2.261 9.470 1.00 0.00 O ATOM 1388 CB LEU A 89 -10.641 -3.537 10.533 1.00 0.00 C ATOM 1389 CG LEU A 89 -10.087 -4.265 11.775 1.00 0.00 C ATOM 1390 CD1 LEU A 89 -8.562 -4.083 11.834 1.00 0.00 C ATOM 1391 CD2 LEU A 89 -10.717 -3.691 13.056 1.00 0.00 C ATOM 0 H LEU A 89 -11.196 -5.780 9.725 1.00 0.00 H new ATOM 0 HA LEU A 89 -12.685 -3.877 11.169 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.020 -3.762 9.666 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.595 -2.459 10.686 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.333 -5.324 11.703 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.168 -4.597 12.711 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -8.111 -4.502 10.935 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -8.325 -3.021 11.898 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -10.317 -4.214 13.924 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -10.483 -2.629 13.132 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -11.798 -3.822 13.020 1.00 0.00 H new ATOM 1403 N ALA A 90 -12.141 -3.148 7.992 1.00 0.00 N ATOM 1404 CA ALA A 90 -12.583 -2.295 6.897 1.00 0.00 C ATOM 1405 C ALA A 90 -12.312 -0.850 7.309 1.00 0.00 C ATOM 1406 O ALA A 90 -12.884 0.097 6.774 1.00 0.00 O ATOM 1407 CB ALA A 90 -14.079 -2.505 6.617 1.00 0.00 C ATOM 0 H ALA A 90 -11.396 -3.802 7.750 1.00 0.00 H new ATOM 0 HA ALA A 90 -12.045 -2.540 5.981 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -14.390 -1.859 5.796 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -14.256 -3.546 6.347 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -14.654 -2.259 7.510 1.00 0.00 H new ATOM 1413 N VAL A 91 -11.410 -0.731 8.285 1.00 0.00 N ATOM 1414 CA VAL A 91 -10.998 0.549 8.838 1.00 0.00 C ATOM 1415 C VAL A 91 -9.594 0.430 9.448 1.00 0.00 C ATOM 1416 O VAL A 91 -9.414 0.687 10.633 1.00 0.00 O ATOM 1417 CB VAL A 91 -11.979 0.996 9.939 1.00 0.00 C ATOM 1418 CG1 VAL A 91 -11.515 2.330 10.552 1.00 0.00 C ATOM 1419 CG2 VAL A 91 -13.384 1.176 9.343 1.00 0.00 C ATOM 0 H VAL A 91 -10.944 -1.531 8.714 1.00 0.00 H new ATOM 0 HA VAL A 91 -10.992 1.284 8.033 1.00 0.00 H new ATOM 0 HB VAL A 91 -12.005 0.231 10.715 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -12.215 2.637 11.329 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -10.523 2.205 10.986 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -11.478 3.094 9.775 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -14.074 1.492 10.126 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -13.353 1.933 8.560 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -13.724 0.231 8.920 1.00 0.00 H new ATOM 1429 N PRO A 92 -8.599 0.029 8.679 1.00 0.00 N ATOM 1430 CA PRO A 92 -7.212 -0.121 9.201 1.00 0.00 C ATOM 1431 C PRO A 92 -6.813 1.078 10.060 1.00 0.00 C ATOM 1432 O PRO A 92 -7.591 2.012 10.252 1.00 0.00 O ATOM 1433 CB PRO A 92 -6.322 -0.224 7.938 1.00 0.00 C ATOM 1434 CG PRO A 92 -7.248 -0.121 6.754 1.00 0.00 C ATOM 1435 CD PRO A 92 -8.679 -0.328 7.260 1.00 0.00 C ATOM 0 HA PRO A 92 -7.110 -0.994 9.845 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -5.579 0.574 7.920 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -5.777 -1.168 7.923 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -7.149 0.853 6.275 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -6.995 -0.871 6.005 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -9.388 0.305 6.727 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -9.007 -1.359 7.124 1.00 0.00 H new ATOM 1443 N ASP A 93 -5.583 1.045 10.566 1.00 0.00 N ATOM 1444 CA ASP A 93 -5.075 2.132 11.402 1.00 0.00 C ATOM 1445 C ASP A 93 -3.933 2.846 10.690 1.00 0.00 C ATOM 1446 O ASP A 93 -2.999 2.220 10.194 1.00 0.00 O ATOM 1447 CB ASP A 93 -4.611 1.575 12.748 1.00 0.00 C ATOM 1448 CG ASP A 93 -5.800 0.971 13.488 1.00 0.00 C ATOM 1449 OD1 ASP A 93 -6.917 1.371 13.199 1.00 0.00 O ATOM 1450 OD2 ASP A 93 -5.580 0.111 14.326 1.00 0.00 O ATOM 0 H ASP A 93 -4.922 0.283 10.414 1.00 0.00 H new ATOM 0 HA ASP A 93 -5.872 2.854 11.581 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -3.842 0.818 12.594 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -4.162 2.368 13.346 1.00 0.00 H new ATOM 1455 N SER A 94 -4.037 4.166 10.621 1.00 0.00 N ATOM 1456 CA SER A 94 -3.034 4.978 9.940 1.00 0.00 C ATOM 1457 C SER A 94 -1.630 4.602 10.384 1.00 0.00 C ATOM 1458 O SER A 94 -0.687 4.633 9.591 1.00 0.00 O ATOM 1459 CB SER A 94 -3.279 6.458 10.240 1.00 0.00 C ATOM 1460 OG SER A 94 -4.605 6.802 9.861 1.00 0.00 O ATOM 0 H SER A 94 -4.806 4.699 11.028 1.00 0.00 H new ATOM 0 HA SER A 94 -3.120 4.795 8.869 1.00 0.00 H new ATOM 0 HB2 SER A 94 -3.129 6.655 11.302 1.00 0.00 H new ATOM 0 HB3 SER A 94 -2.562 7.074 9.697 1.00 0.00 H new ATOM 0 HG SER A 94 -4.765 7.749 10.054 1.00 0.00 H new ATOM 1466 N LYS A 95 -1.501 4.229 11.644 1.00 0.00 N ATOM 1467 CA LYS A 95 -0.210 3.838 12.171 1.00 0.00 C ATOM 1468 C LYS A 95 0.186 2.465 11.650 1.00 0.00 C ATOM 1469 O LYS A 95 1.365 2.193 11.428 1.00 0.00 O ATOM 1470 CB LYS A 95 -0.263 3.808 13.702 1.00 0.00 C ATOM 1471 CG LYS A 95 -1.030 2.565 14.175 1.00 0.00 C ATOM 1472 CD LYS A 95 -1.379 2.707 15.657 1.00 0.00 C ATOM 1473 CE LYS A 95 -0.118 2.547 16.514 1.00 0.00 C ATOM 1474 NZ LYS A 95 -0.509 2.426 17.946 1.00 0.00 N ATOM 0 H LYS A 95 -2.268 4.189 12.315 1.00 0.00 H new ATOM 0 HA LYS A 95 0.533 4.566 11.844 1.00 0.00 H new ATOM 0 HB2 LYS A 95 0.748 3.799 14.109 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -0.749 4.710 14.075 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -1.940 2.442 13.588 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -0.426 1.671 14.018 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -1.831 3.682 15.840 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -2.117 1.956 15.938 1.00 0.00 H new ATOM 0 HE2 LYS A 95 0.439 1.664 16.201 1.00 0.00 H new ATOM 0 HE3 LYS A 95 0.541 3.404 16.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 0.344 2.317 18.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -1.023 3.281 18.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -1.122 1.595 18.070 1.00 0.00 H new ATOM 1488 N CYS A 96 -0.807 1.598 11.475 1.00 0.00 N ATOM 1489 CA CYS A 96 -0.541 0.252 10.999 1.00 0.00 C ATOM 1490 C CYS A 96 -0.026 0.282 9.565 1.00 0.00 C ATOM 1491 O CYS A 96 1.008 -0.306 9.249 1.00 0.00 O ATOM 1492 CB CYS A 96 -1.824 -0.590 11.063 1.00 0.00 C ATOM 1493 SG CYS A 96 -2.028 -1.267 12.729 1.00 0.00 S ATOM 0 H CYS A 96 -1.790 1.803 11.654 1.00 0.00 H new ATOM 0 HA CYS A 96 0.221 -0.194 11.639 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -2.686 0.023 10.801 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -1.776 -1.399 10.335 1.00 0.00 H new ATOM 0 HG CYS A 96 -2.318 -0.306 13.555 1.00 0.00 H new ATOM 1499 N VAL A 97 -0.758 0.981 8.708 1.00 0.00 N ATOM 1500 CA VAL A 97 -0.378 1.096 7.312 1.00 0.00 C ATOM 1501 C VAL A 97 0.966 1.777 7.222 1.00 0.00 C ATOM 1502 O VAL A 97 1.847 1.359 6.473 1.00 0.00 O ATOM 1503 CB VAL A 97 -1.409 1.934 6.552 1.00 0.00 C ATOM 1504 CG1 VAL A 97 -0.971 2.109 5.098 1.00 0.00 C ATOM 1505 CG2 VAL A 97 -2.777 1.246 6.605 1.00 0.00 C ATOM 0 H VAL A 97 -1.615 1.475 8.957 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.329 0.100 6.872 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.484 2.916 7.020 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.710 2.706 4.565 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.006 2.614 5.067 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -0.884 1.131 4.624 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -3.507 1.846 6.063 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.706 0.260 6.147 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -3.092 1.142 7.643 1.00 0.00 H new ATOM 1515 N TYR A 98 1.120 2.833 8.004 1.00 0.00 N ATOM 1516 CA TYR A 98 2.358 3.575 8.013 1.00 0.00 C ATOM 1517 C TYR A 98 3.509 2.673 8.411 1.00 0.00 C ATOM 1518 O TYR A 98 4.524 2.607 7.722 1.00 0.00 O ATOM 1519 CB TYR A 98 2.244 4.732 9.020 1.00 0.00 C ATOM 1520 CG TYR A 98 3.600 5.367 9.228 1.00 0.00 C ATOM 1521 CD1 TYR A 98 4.503 4.797 10.133 1.00 0.00 C ATOM 1522 CD2 TYR A 98 3.952 6.512 8.511 1.00 0.00 C ATOM 1523 CE1 TYR A 98 5.763 5.373 10.320 1.00 0.00 C ATOM 1524 CE2 TYR A 98 5.213 7.091 8.702 1.00 0.00 C ATOM 1525 CZ TYR A 98 6.118 6.521 9.604 1.00 0.00 C ATOM 1526 OH TYR A 98 7.362 7.087 9.787 1.00 0.00 O ATOM 0 H TYR A 98 0.403 3.190 8.636 1.00 0.00 H new ATOM 0 HA TYR A 98 2.547 3.967 7.014 1.00 0.00 H new ATOM 0 HB2 TYR A 98 1.536 5.476 8.654 1.00 0.00 H new ATOM 0 HB3 TYR A 98 1.856 4.363 9.969 1.00 0.00 H new ATOM 0 HD1 TYR A 98 4.226 3.912 10.687 1.00 0.00 H new ATOM 0 HD2 TYR A 98 3.255 6.950 7.812 1.00 0.00 H new ATOM 0 HE1 TYR A 98 6.461 4.932 11.016 1.00 0.00 H new ATOM 0 HE2 TYR A 98 5.487 7.979 8.152 1.00 0.00 H new ATOM 0 HH TYR A 98 7.449 7.877 9.214 1.00 0.00 H new ATOM 1536 N THR A 99 3.340 1.977 9.524 1.00 0.00 N ATOM 1537 CA THR A 99 4.381 1.088 10.005 1.00 0.00 C ATOM 1538 C THR A 99 4.733 0.067 8.937 1.00 0.00 C ATOM 1539 O THR A 99 5.912 -0.178 8.672 1.00 0.00 O ATOM 1540 CB THR A 99 3.918 0.371 11.278 1.00 0.00 C ATOM 1541 OG1 THR A 99 3.400 1.319 12.199 1.00 0.00 O ATOM 1542 CG2 THR A 99 5.102 -0.366 11.908 1.00 0.00 C ATOM 0 H THR A 99 2.502 2.010 10.104 1.00 0.00 H new ATOM 0 HA THR A 99 5.267 1.681 10.234 1.00 0.00 H new ATOM 0 HB THR A 99 3.138 -0.347 11.026 1.00 0.00 H new ATOM 0 HG1 THR A 99 2.431 1.400 12.075 1.00 0.00 H new ATOM 0 HG21 THR A 99 4.773 -0.876 12.813 1.00 0.00 H new ATOM 0 HG22 THR A 99 5.493 -1.098 11.201 1.00 0.00 H new ATOM 0 HG23 THR A 99 5.885 0.350 12.159 1.00 0.00 H new ATOM 1550 N TYR A 100 3.712 -0.513 8.315 1.00 0.00 N ATOM 1551 CA TYR A 100 3.918 -1.497 7.266 1.00 0.00 C ATOM 1552 C TYR A 100 4.657 -0.864 6.093 1.00 0.00 C ATOM 1553 O TYR A 100 5.652 -1.393 5.597 1.00 0.00 O ATOM 1554 CB TYR A 100 2.559 -1.980 6.781 1.00 0.00 C ATOM 1555 CG TYR A 100 2.752 -3.161 5.871 1.00 0.00 C ATOM 1556 CD1 TYR A 100 3.056 -2.960 4.521 1.00 0.00 C ATOM 1557 CD2 TYR A 100 2.620 -4.458 6.374 1.00 0.00 C ATOM 1558 CE1 TYR A 100 3.227 -4.062 3.672 1.00 0.00 C ATOM 1559 CE2 TYR A 100 2.793 -5.560 5.530 1.00 0.00 C ATOM 1560 CZ TYR A 100 3.096 -5.361 4.176 1.00 0.00 C ATOM 1561 OH TYR A 100 3.267 -6.448 3.342 1.00 0.00 O ATOM 0 H TYR A 100 2.733 -0.316 8.522 1.00 0.00 H new ATOM 0 HA TYR A 100 4.507 -2.326 7.658 1.00 0.00 H new ATOM 0 HB2 TYR A 100 1.934 -2.258 7.630 1.00 0.00 H new ATOM 0 HB3 TYR A 100 2.042 -1.179 6.253 1.00 0.00 H new ATOM 0 HD1 TYR A 100 3.159 -1.957 4.133 1.00 0.00 H new ATOM 0 HD2 TYR A 100 2.384 -4.610 7.417 1.00 0.00 H new ATOM 0 HE1 TYR A 100 3.460 -3.909 2.629 1.00 0.00 H new ATOM 0 HE2 TYR A 100 2.693 -6.562 5.921 1.00 0.00 H new ATOM 0 HH TYR A 100 3.381 -7.259 3.881 1.00 0.00 H new ATOM 1571 N ILE A 101 4.139 0.283 5.662 1.00 0.00 N ATOM 1572 CA ILE A 101 4.718 1.021 4.549 1.00 0.00 C ATOM 1573 C ILE A 101 6.155 1.387 4.893 1.00 0.00 C ATOM 1574 O ILE A 101 7.050 1.308 4.053 1.00 0.00 O ATOM 1575 CB ILE A 101 3.891 2.292 4.279 1.00 0.00 C ATOM 1576 CG1 ILE A 101 2.504 1.916 3.694 1.00 0.00 C ATOM 1577 CG2 ILE A 101 4.637 3.215 3.308 1.00 0.00 C ATOM 1578 CD1 ILE A 101 2.586 1.654 2.178 1.00 0.00 C ATOM 0 H ILE A 101 3.314 0.722 6.071 1.00 0.00 H new ATOM 0 HA ILE A 101 4.708 0.405 3.650 1.00 0.00 H new ATOM 0 HB ILE A 101 3.745 2.818 5.222 1.00 0.00 H new ATOM 0 HG12 ILE A 101 2.123 1.028 4.198 1.00 0.00 H new ATOM 0 HG13 ILE A 101 1.795 2.721 3.888 1.00 0.00 H new ATOM 0 HG21 ILE A 101 4.041 4.109 3.126 1.00 0.00 H new ATOM 0 HG22 ILE A 101 5.596 3.500 3.741 1.00 0.00 H new ATOM 0 HG23 ILE A 101 4.805 2.693 2.366 1.00 0.00 H new ATOM 0 HD11 ILE A 101 1.598 1.393 1.800 1.00 0.00 H new ATOM 0 HD12 ILE A 101 2.943 2.551 1.672 1.00 0.00 H new ATOM 0 HD13 ILE A 101 3.276 0.832 1.988 1.00 0.00 H new ATOM 1590 N GLN A 102 6.357 1.788 6.144 1.00 0.00 N ATOM 1591 CA GLN A 102 7.683 2.171 6.624 1.00 0.00 C ATOM 1592 C GLN A 102 8.698 1.080 6.310 1.00 0.00 C ATOM 1593 O GLN A 102 9.684 1.311 5.613 1.00 0.00 O ATOM 1594 CB GLN A 102 7.639 2.367 8.138 1.00 0.00 C ATOM 1595 CG GLN A 102 8.868 3.163 8.579 1.00 0.00 C ATOM 1596 CD GLN A 102 8.915 3.263 10.100 1.00 0.00 C ATOM 1597 OE1 GLN A 102 8.154 2.486 10.821 1.00 0.00 O flip ATOM 1598 NE2 GLN A 102 9.668 4.069 10.645 1.00 0.00 N flip ATOM 0 H GLN A 102 5.620 1.857 6.845 1.00 0.00 H new ATOM 0 HA GLN A 102 7.976 3.096 6.127 1.00 0.00 H new ATOM 0 HB2 GLN A 102 6.728 2.895 8.422 1.00 0.00 H new ATOM 0 HB3 GLN A 102 7.617 1.400 8.641 1.00 0.00 H new ATOM 0 HG2 GLN A 102 9.774 2.681 8.211 1.00 0.00 H new ATOM 0 HG3 GLN A 102 8.839 4.161 8.143 1.00 0.00 H new ATOM 0 HE21 GLN A 102 10.262 4.675 10.079 1.00 0.00 H new ATOM 0 HE22 GLN A 102 9.698 4.131 11.663 1.00 0.00 H new ATOM 1607 N GLU A 103 8.454 -0.103 6.851 1.00 0.00 N ATOM 1608 CA GLU A 103 9.366 -1.214 6.633 1.00 0.00 C ATOM 1609 C GLU A 103 9.467 -1.498 5.140 1.00 0.00 C ATOM 1610 O GLU A 103 10.561 -1.666 4.596 1.00 0.00 O ATOM 1611 CB GLU A 103 8.857 -2.453 7.375 1.00 0.00 C ATOM 1612 CG GLU A 103 9.908 -3.562 7.305 1.00 0.00 C ATOM 1613 CD GLU A 103 11.114 -3.189 8.162 1.00 0.00 C ATOM 1614 OE1 GLU A 103 11.026 -2.206 8.878 1.00 0.00 O ATOM 1615 OE2 GLU A 103 12.111 -3.889 8.083 1.00 0.00 O ATOM 0 H GLU A 103 7.646 -0.317 7.435 1.00 0.00 H new ATOM 0 HA GLU A 103 10.354 -0.958 7.015 1.00 0.00 H new ATOM 0 HB2 GLU A 103 8.645 -2.205 8.415 1.00 0.00 H new ATOM 0 HB3 GLU A 103 7.922 -2.796 6.932 1.00 0.00 H new ATOM 0 HG2 GLU A 103 9.481 -4.503 7.653 1.00 0.00 H new ATOM 0 HG3 GLU A 103 10.219 -3.716 6.272 1.00 0.00 H new ATOM 1622 N LEU A 104 8.320 -1.555 4.486 1.00 0.00 N ATOM 1623 CA LEU A 104 8.268 -1.827 3.059 1.00 0.00 C ATOM 1624 C LEU A 104 9.046 -0.775 2.283 1.00 0.00 C ATOM 1625 O LEU A 104 9.819 -1.097 1.385 1.00 0.00 O ATOM 1626 CB LEU A 104 6.807 -1.768 2.625 1.00 0.00 C ATOM 1627 CG LEU A 104 6.644 -2.141 1.142 1.00 0.00 C ATOM 1628 CD1 LEU A 104 6.629 -3.665 0.970 1.00 0.00 C ATOM 1629 CD2 LEU A 104 5.324 -1.558 0.624 1.00 0.00 C ATOM 0 H LEU A 104 7.408 -1.416 4.922 1.00 0.00 H new ATOM 0 HA LEU A 104 8.706 -2.805 2.860 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.216 -2.448 3.239 1.00 0.00 H new ATOM 0 HB3 LEU A 104 6.416 -0.764 2.794 1.00 0.00 H new ATOM 0 HG LEU A 104 7.483 -1.734 0.578 1.00 0.00 H new ATOM 0 HD11 LEU A 104 6.513 -3.911 -0.086 1.00 0.00 H new ATOM 0 HD12 LEU A 104 7.566 -4.082 1.339 1.00 0.00 H new ATOM 0 HD13 LEU A 104 5.797 -4.087 1.534 1.00 0.00 H new ATOM 0 HD21 LEU A 104 5.199 -1.817 -0.427 1.00 0.00 H new ATOM 0 HD22 LEU A 104 4.494 -1.968 1.200 1.00 0.00 H new ATOM 0 HD23 LEU A 104 5.339 -0.473 0.731 1.00 0.00 H new ATOM 1641 N TYR A 105 8.830 0.480 2.641 1.00 0.00 N ATOM 1642 CA TYR A 105 9.501 1.586 1.971 1.00 0.00 C ATOM 1643 C TYR A 105 10.995 1.363 1.985 1.00 0.00 C ATOM 1644 O TYR A 105 11.678 1.510 0.970 1.00 0.00 O ATOM 1645 CB TYR A 105 9.183 2.877 2.721 1.00 0.00 C ATOM 1646 CG TYR A 105 9.934 4.031 2.107 1.00 0.00 C ATOM 1647 CD1 TYR A 105 9.410 4.685 0.990 1.00 0.00 C ATOM 1648 CD2 TYR A 105 11.151 4.449 2.661 1.00 0.00 C ATOM 1649 CE1 TYR A 105 10.101 5.758 0.421 1.00 0.00 C ATOM 1650 CE2 TYR A 105 11.845 5.523 2.091 1.00 0.00 C ATOM 1651 CZ TYR A 105 11.318 6.178 0.970 1.00 0.00 C ATOM 1652 OH TYR A 105 11.999 7.238 0.410 1.00 0.00 O ATOM 0 H TYR A 105 8.197 0.760 3.390 1.00 0.00 H new ATOM 0 HA TYR A 105 9.157 1.652 0.939 1.00 0.00 H new ATOM 0 HB2 TYR A 105 8.111 3.072 2.688 1.00 0.00 H new ATOM 0 HB3 TYR A 105 9.456 2.773 3.771 1.00 0.00 H new ATOM 0 HD1 TYR A 105 8.471 4.362 0.566 1.00 0.00 H new ATOM 0 HD2 TYR A 105 11.553 3.943 3.526 1.00 0.00 H new ATOM 0 HE1 TYR A 105 9.696 6.264 -0.443 1.00 0.00 H new ATOM 0 HE2 TYR A 105 12.785 5.846 2.514 1.00 0.00 H new ATOM 0 HH TYR A 105 12.824 7.400 0.914 1.00 0.00 H new ATOM 1662 N ARG A 106 11.491 1.038 3.156 1.00 0.00 N ATOM 1663 CA ARG A 106 12.907 0.819 3.338 1.00 0.00 C ATOM 1664 C ARG A 106 13.400 -0.331 2.468 1.00 0.00 C ATOM 1665 O ARG A 106 14.492 -0.259 1.907 1.00 0.00 O ATOM 1666 CB ARG A 106 13.171 0.544 4.814 1.00 0.00 C ATOM 1667 CG ARG A 106 12.973 1.851 5.588 1.00 0.00 C ATOM 1668 CD ARG A 106 13.241 1.629 7.070 1.00 0.00 C ATOM 1669 NE ARG A 106 12.202 0.791 7.647 1.00 0.00 N ATOM 1670 CZ ARG A 106 12.312 0.320 8.883 1.00 0.00 C ATOM 1671 NH1 ARG A 106 13.180 -0.617 9.147 1.00 0.00 N ATOM 1672 NH2 ARG A 106 11.555 0.799 9.832 1.00 0.00 N ATOM 0 H ARG A 106 10.932 0.919 4.001 1.00 0.00 H new ATOM 0 HA ARG A 106 13.456 1.709 3.030 1.00 0.00 H new ATOM 0 HB2 ARG A 106 12.492 -0.224 5.185 1.00 0.00 H new ATOM 0 HB3 ARG A 106 14.184 0.169 4.955 1.00 0.00 H new ATOM 0 HG2 ARG A 106 13.644 2.617 5.200 1.00 0.00 H new ATOM 0 HG3 ARG A 106 11.956 2.216 5.445 1.00 0.00 H new ATOM 0 HD2 ARG A 106 14.215 1.158 7.205 1.00 0.00 H new ATOM 0 HD3 ARG A 106 13.276 2.587 7.589 1.00 0.00 H new ATOM 0 HE ARG A 106 11.376 0.562 7.094 1.00 0.00 H new ATOM 0 HH11 ARG A 106 13.773 -0.987 8.404 1.00 0.00 H new ATOM 0 HH12 ARG A 106 13.266 -0.980 10.096 1.00 0.00 H new ATOM 0 HH21 ARG A 106 10.880 1.534 9.623 1.00 0.00 H new ATOM 0 HH22 ARG A 106 11.639 0.438 10.782 1.00 0.00 H new ATOM 1686 N SER A 107 12.594 -1.375 2.334 1.00 0.00 N ATOM 1687 CA SER A 107 12.989 -2.500 1.496 1.00 0.00 C ATOM 1688 C SER A 107 13.219 -2.028 0.060 1.00 0.00 C ATOM 1689 O SER A 107 14.153 -2.467 -0.607 1.00 0.00 O ATOM 1690 CB SER A 107 11.918 -3.589 1.519 1.00 0.00 C ATOM 1691 OG SER A 107 11.828 -4.138 2.828 1.00 0.00 O ATOM 0 H SER A 107 11.683 -1.468 2.783 1.00 0.00 H new ATOM 0 HA SER A 107 13.917 -2.915 1.890 1.00 0.00 H new ATOM 0 HB2 SER A 107 10.955 -3.174 1.220 1.00 0.00 H new ATOM 0 HB3 SER A 107 12.164 -4.371 0.801 1.00 0.00 H new ATOM 0 HG SER A 107 11.443 -3.473 3.436 1.00 0.00 H new ATOM 1697 N LEU A 108 12.351 -1.131 -0.415 1.00 0.00 N ATOM 1698 CA LEU A 108 12.466 -0.598 -1.769 1.00 0.00 C ATOM 1699 C LEU A 108 13.705 0.274 -1.914 1.00 0.00 C ATOM 1700 O LEU A 108 14.337 0.298 -2.969 1.00 0.00 O ATOM 1701 CB LEU A 108 11.246 0.257 -2.121 1.00 0.00 C ATOM 1702 CG LEU A 108 9.942 -0.511 -1.876 1.00 0.00 C ATOM 1703 CD1 LEU A 108 8.756 0.440 -2.083 1.00 0.00 C ATOM 1704 CD2 LEU A 108 9.831 -1.684 -2.861 1.00 0.00 C ATOM 0 H LEU A 108 11.564 -0.761 0.118 1.00 0.00 H new ATOM 0 HA LEU A 108 12.535 -1.453 -2.441 1.00 0.00 H new ATOM 0 HB2 LEU A 108 11.252 1.168 -1.523 1.00 0.00 H new ATOM 0 HB3 LEU A 108 11.301 0.561 -3.166 1.00 0.00 H new ATOM 0 HG LEU A 108 9.936 -0.899 -0.858 1.00 0.00 H new ATOM 0 HD11 LEU A 108 7.824 -0.098 -1.911 1.00 0.00 H new ATOM 0 HD12 LEU A 108 8.830 1.272 -1.382 1.00 0.00 H new ATOM 0 HD13 LEU A 108 8.771 0.823 -3.103 1.00 0.00 H new ATOM 0 HD21 LEU A 108 8.902 -2.224 -2.680 1.00 0.00 H new ATOM 0 HD22 LEU A 108 9.836 -1.303 -3.882 1.00 0.00 H new ATOM 0 HD23 LEU A 108 10.676 -2.358 -2.721 1.00 0.00 H new ATOM 1716 N VAL A 109 14.023 1.018 -0.862 1.00 0.00 N ATOM 1717 CA VAL A 109 15.162 1.914 -0.906 1.00 0.00 C ATOM 1718 C VAL A 109 16.454 1.138 -1.107 1.00 0.00 C ATOM 1719 O VAL A 109 17.258 1.473 -1.978 1.00 0.00 O ATOM 1720 CB VAL A 109 15.224 2.727 0.397 1.00 0.00 C ATOM 1721 CG1 VAL A 109 16.545 3.492 0.476 1.00 0.00 C ATOM 1722 CG2 VAL A 109 14.063 3.726 0.419 1.00 0.00 C ATOM 0 H VAL A 109 13.512 1.017 0.021 1.00 0.00 H new ATOM 0 HA VAL A 109 15.044 2.593 -1.751 1.00 0.00 H new ATOM 0 HB VAL A 109 15.152 2.049 1.247 1.00 0.00 H new ATOM 0 HG11 VAL A 109 16.579 4.065 1.403 1.00 0.00 H new ATOM 0 HG12 VAL A 109 17.376 2.787 0.455 1.00 0.00 H new ATOM 0 HG13 VAL A 109 16.624 4.171 -0.373 1.00 0.00 H new ATOM 0 HG21 VAL A 109 14.100 4.307 1.341 1.00 0.00 H new ATOM 0 HG22 VAL A 109 14.144 4.397 -0.436 1.00 0.00 H new ATOM 0 HG23 VAL A 109 13.117 3.186 0.368 1.00 0.00 H new ATOM 1732 N GLN A 110 16.645 0.091 -0.313 1.00 0.00 N ATOM 1733 CA GLN A 110 17.844 -0.722 -0.445 1.00 0.00 C ATOM 1734 C GLN A 110 17.834 -1.425 -1.780 1.00 0.00 C ATOM 1735 O GLN A 110 18.821 -1.420 -2.518 1.00 0.00 O ATOM 1736 CB GLN A 110 17.926 -1.752 0.694 1.00 0.00 C ATOM 1737 CG GLN A 110 16.593 -2.537 0.805 1.00 0.00 C ATOM 1738 CD GLN A 110 16.584 -3.413 2.056 1.00 0.00 C ATOM 1739 OE1 GLN A 110 16.994 -2.977 3.130 1.00 0.00 O ATOM 1740 NE2 GLN A 110 16.126 -4.636 1.981 1.00 0.00 N ATOM 0 H GLN A 110 15.998 -0.210 0.415 1.00 0.00 H new ATOM 0 HA GLN A 110 18.718 -0.074 -0.385 1.00 0.00 H new ATOM 0 HB2 GLN A 110 18.749 -2.443 0.510 1.00 0.00 H new ATOM 0 HB3 GLN A 110 18.138 -1.247 1.636 1.00 0.00 H new ATOM 0 HG2 GLN A 110 15.756 -1.839 0.838 1.00 0.00 H new ATOM 0 HG3 GLN A 110 16.456 -3.158 -0.080 1.00 0.00 H new ATOM 0 HE21 GLN A 110 15.785 -4.999 1.091 1.00 0.00 H new ATOM 0 HE22 GLN A 110 16.109 -5.226 2.813 1.00 0.00 H new ATOM 1749 N LYS A 111 16.698 -2.037 -2.092 1.00 0.00 N ATOM 1750 CA LYS A 111 16.547 -2.764 -3.348 1.00 0.00 C ATOM 1751 C LYS A 111 16.879 -1.851 -4.524 1.00 0.00 C ATOM 1752 O LYS A 111 17.319 -2.316 -5.576 1.00 0.00 O ATOM 1753 CB LYS A 111 15.106 -3.298 -3.485 1.00 0.00 C ATOM 1754 CG LYS A 111 15.056 -4.433 -4.526 1.00 0.00 C ATOM 1755 CD LYS A 111 15.463 -5.764 -3.879 1.00 0.00 C ATOM 1756 CE LYS A 111 15.192 -6.921 -4.847 1.00 0.00 C ATOM 1757 NZ LYS A 111 13.743 -7.276 -4.814 1.00 0.00 N ATOM 0 H LYS A 111 15.870 -2.045 -1.496 1.00 0.00 H new ATOM 0 HA LYS A 111 17.236 -3.608 -3.349 1.00 0.00 H new ATOM 0 HB2 LYS A 111 14.753 -3.663 -2.521 1.00 0.00 H new ATOM 0 HB3 LYS A 111 14.438 -2.490 -3.784 1.00 0.00 H new ATOM 0 HG2 LYS A 111 14.050 -4.513 -4.939 1.00 0.00 H new ATOM 0 HG3 LYS A 111 15.724 -4.205 -5.356 1.00 0.00 H new ATOM 0 HD2 LYS A 111 16.520 -5.741 -3.614 1.00 0.00 H new ATOM 0 HD3 LYS A 111 14.905 -5.914 -2.954 1.00 0.00 H new ATOM 0 HE2 LYS A 111 15.484 -6.638 -5.858 1.00 0.00 H new ATOM 0 HE3 LYS A 111 15.795 -7.787 -4.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 13.631 -8.295 -4.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 13.349 -7.040 -3.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 13.238 -6.741 -5.549 1.00 0.00 H new ATOM 1771 N GLY A 112 16.655 -0.549 -4.348 1.00 0.00 N ATOM 1772 CA GLY A 112 16.923 0.418 -5.412 1.00 0.00 C ATOM 1773 C GLY A 112 15.709 0.532 -6.317 1.00 0.00 C ATOM 1774 O GLY A 112 15.784 1.023 -7.443 1.00 0.00 O ATOM 0 H GLY A 112 16.292 -0.142 -3.486 1.00 0.00 H new ATOM 0 HA2 GLY A 112 17.160 1.391 -4.981 1.00 0.00 H new ATOM 0 HA3 GLY A 112 17.792 0.105 -5.991 1.00 0.00 H new ATOM 1778 N LEU A 113 14.586 0.078 -5.780 1.00 0.00 N ATOM 1779 CA LEU A 113 13.308 0.121 -6.479 1.00 0.00 C ATOM 1780 C LEU A 113 12.748 1.545 -6.511 1.00 0.00 C ATOM 1781 O LEU A 113 12.230 2.001 -7.532 1.00 0.00 O ATOM 1782 CB LEU A 113 12.330 -0.816 -5.758 1.00 0.00 C ATOM 1783 CG LEU A 113 12.539 -2.270 -6.214 1.00 0.00 C ATOM 1784 CD1 LEU A 113 11.689 -3.195 -5.332 1.00 0.00 C ATOM 1785 CD2 LEU A 113 12.125 -2.440 -7.691 1.00 0.00 C ATOM 0 H LEU A 113 14.534 -0.331 -4.847 1.00 0.00 H new ATOM 0 HA LEU A 113 13.448 -0.201 -7.511 1.00 0.00 H new ATOM 0 HB2 LEU A 113 12.475 -0.743 -4.680 1.00 0.00 H new ATOM 0 HB3 LEU A 113 11.305 -0.508 -5.963 1.00 0.00 H new ATOM 0 HG LEU A 113 13.594 -2.526 -6.119 1.00 0.00 H new ATOM 0 HD11 LEU A 113 11.830 -4.229 -5.647 1.00 0.00 H new ATOM 0 HD12 LEU A 113 11.995 -3.088 -4.291 1.00 0.00 H new ATOM 0 HD13 LEU A 113 10.637 -2.926 -5.430 1.00 0.00 H new ATOM 0 HD21 LEU A 113 12.280 -3.475 -7.995 1.00 0.00 H new ATOM 0 HD22 LEU A 113 11.072 -2.182 -7.806 1.00 0.00 H new ATOM 0 HD23 LEU A 113 12.730 -1.783 -8.316 1.00 0.00 H new ATOM 1797 N VAL A 114 12.833 2.228 -5.378 1.00 0.00 N ATOM 1798 CA VAL A 114 12.318 3.593 -5.269 1.00 0.00 C ATOM 1799 C VAL A 114 13.130 4.564 -6.137 1.00 0.00 C ATOM 1800 O VAL A 114 12.574 5.479 -6.742 1.00 0.00 O ATOM 1801 CB VAL A 114 12.290 4.032 -3.782 1.00 0.00 C ATOM 1802 CG1 VAL A 114 12.455 5.555 -3.646 1.00 0.00 C ATOM 1803 CG2 VAL A 114 10.951 3.613 -3.140 1.00 0.00 C ATOM 0 H VAL A 114 13.252 1.864 -4.522 1.00 0.00 H new ATOM 0 HA VAL A 114 11.296 3.613 -5.647 1.00 0.00 H new ATOM 0 HB VAL A 114 13.121 3.544 -3.273 1.00 0.00 H new ATOM 0 HG11 VAL A 114 12.431 5.831 -2.592 1.00 0.00 H new ATOM 0 HG12 VAL A 114 13.408 5.858 -4.079 1.00 0.00 H new ATOM 0 HG13 VAL A 114 11.642 6.057 -4.171 1.00 0.00 H new ATOM 0 HG21 VAL A 114 10.936 3.923 -2.095 1.00 0.00 H new ATOM 0 HG22 VAL A 114 10.128 4.089 -3.672 1.00 0.00 H new ATOM 0 HG23 VAL A 114 10.843 2.530 -3.198 1.00 0.00 H new