USER MOD reduce.3.24.130724 H: found=0, std=0, add=831, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 826 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 96 THR OG1 : rot -37:sc= 1.49 USER MOD Set 1.2: A 99 SER OG : rot 169:sc= 1.34 USER MOD Set 2.1: A 92 GLN : amide:sc= 0.865 K(o=0.58,f=-0.36) USER MOD Set 2.2: A 104 HIS : no HE2:sc= -0.287 K(o=0.58,f=-3) USER MOD Set 3.1: A 52 SER OG : rot -89:sc= 1.1 USER MOD Set 3.2: A 61 HIS : no HD1:sc= 0.852 K(o=1.9,f=-6!) USER MOD Single : A 10 GLN : amide:sc= -0.645 K(o=-0.65,f=0) USER MOD Single : A 11 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0738) USER MOD Single : A 14 HIS : no HD1:sc= -1.09 K(o=-1.1,f=-0.56) USER MOD Single : A 16 GLN : amide:sc= 0.352 K(o=0.35,f=-0.52) USER MOD Single : A 19 TYR OH : rot 46:sc= 0.589 USER MOD Single : A 20 HIS : no HE2:sc= -6.17! K(o=-6.2!,f=-4.3) USER MOD Single : A 34 HIS : no HD1:sc=-0.00835 X(o=-0.0083,f=-0.0083) USER MOD Single : A 35 SER OG : rot 42:sc= 0.0777 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.861 X(o=-0.86,f=-0.86) USER MOD Single : A 46 LYS NZ :NH3+ 147:sc= -0.22 (180deg=-0.838) USER MOD Single : A 47 GLN : amide:sc= -0.184 X(o=-0.18,f=-0.1) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.0493 K(o=-0.049,f=-2!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.615 X(o=-0.62,f=-0.62) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 87 HIS : no HD1:sc=-0.00798 X(o=-0.008,f=-0.12) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot -86:sc= 1.21 USER MOD Single : A 93 GLN : amide:sc= -0.622 K(o=-0.62,f=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ -160:sc= 1.24 (180deg=1.03) USER MOD Single : A 109 SER OG : rot 180:sc= 0.0487 USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 10.990 8.456 7.034 1.00 0.00 N ATOM 67 CA GLU A 8 10.718 7.303 6.182 1.00 0.00 C ATOM 68 C GLU A 8 9.665 7.658 5.137 1.00 0.00 C ATOM 69 O GLU A 8 9.917 7.502 3.950 1.00 0.00 O ATOM 70 CB GLU A 8 10.308 6.121 7.073 1.00 0.00 C ATOM 71 CG GLU A 8 9.965 4.836 6.309 1.00 0.00 C ATOM 72 CD GLU A 8 8.590 4.886 5.633 1.00 0.00 C ATOM 73 OE1 GLU A 8 7.572 5.126 6.320 1.00 0.00 O ATOM 74 OE2 GLU A 8 8.522 4.629 4.411 1.00 0.00 O ATOM 0 HA GLU A 8 11.610 7.010 5.628 1.00 0.00 H new ATOM 0 HB2 GLU A 8 11.119 5.909 7.769 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.445 6.415 7.670 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.729 4.656 5.552 1.00 0.00 H new ATOM 0 HG3 GLU A 8 9.994 3.992 6.998 1.00 0.00 H new ATOM 81 N VAL A 9 8.538 8.229 5.565 1.00 0.00 N ATOM 82 CA VAL A 9 7.435 8.624 4.696 1.00 0.00 C ATOM 83 C VAL A 9 7.885 9.538 3.546 1.00 0.00 C ATOM 84 O VAL A 9 7.230 9.592 2.507 1.00 0.00 O ATOM 85 CB VAL A 9 6.332 9.260 5.569 1.00 0.00 C ATOM 86 CG1 VAL A 9 6.824 10.490 6.350 1.00 0.00 C ATOM 87 CG2 VAL A 9 5.103 9.680 4.758 1.00 0.00 C ATOM 0 H VAL A 9 8.366 8.433 6.549 1.00 0.00 H new ATOM 0 HA VAL A 9 7.033 7.740 4.200 1.00 0.00 H new ATOM 0 HB VAL A 9 6.056 8.471 6.269 1.00 0.00 H new ATOM 0 HG11 VAL A 9 6.005 10.894 6.945 1.00 0.00 H new ATOM 0 HG12 VAL A 9 7.643 10.199 7.008 1.00 0.00 H new ATOM 0 HG13 VAL A 9 7.173 11.249 5.650 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.361 10.121 5.424 1.00 0.00 H new ATOM 0 HG22 VAL A 9 5.396 10.413 4.006 1.00 0.00 H new ATOM 0 HG23 VAL A 9 4.676 8.806 4.266 1.00 0.00 H new ATOM 97 N GLN A 10 8.967 10.308 3.715 1.00 0.00 N ATOM 98 CA GLN A 10 9.438 11.199 2.664 1.00 0.00 C ATOM 99 C GLN A 10 10.199 10.443 1.563 1.00 0.00 C ATOM 100 O GLN A 10 10.514 11.049 0.532 1.00 0.00 O ATOM 101 CB GLN A 10 10.260 12.351 3.261 1.00 0.00 C ATOM 102 CG GLN A 10 9.411 13.308 4.119 1.00 0.00 C ATOM 103 CD GLN A 10 9.943 13.449 5.540 1.00 0.00 C ATOM 104 OE1 GLN A 10 11.045 13.952 5.753 1.00 0.00 O ATOM 105 NE2 GLN A 10 9.197 13.023 6.544 1.00 0.00 N ATOM 0 H GLN A 10 9.526 10.328 4.568 1.00 0.00 H new ATOM 0 HA GLN A 10 8.566 11.636 2.177 1.00 0.00 H new ATOM 0 HB2 GLN A 10 11.064 11.939 3.871 1.00 0.00 H new ATOM 0 HB3 GLN A 10 10.729 12.913 2.453 1.00 0.00 H new ATOM 0 HG2 GLN A 10 9.386 14.289 3.645 1.00 0.00 H new ATOM 0 HG3 GLN A 10 8.384 12.945 4.154 1.00 0.00 H new ATOM 0 HE21 GLN A 10 8.284 12.607 6.360 1.00 0.00 H new ATOM 0 HE22 GLN A 10 9.534 13.110 7.503 1.00 0.00 H new ATOM 114 N LYS A 11 10.537 9.162 1.748 1.00 0.00 N ATOM 115 CA LYS A 11 11.255 8.363 0.759 1.00 0.00 C ATOM 116 C LYS A 11 10.362 8.093 -0.453 1.00 0.00 C ATOM 117 O LYS A 11 9.163 7.863 -0.282 1.00 0.00 O ATOM 118 CB LYS A 11 11.641 6.998 1.354 1.00 0.00 C ATOM 119 CG LYS A 11 12.774 7.067 2.385 1.00 0.00 C ATOM 120 CD LYS A 11 14.146 6.964 1.698 1.00 0.00 C ATOM 121 CE LYS A 11 15.270 7.377 2.644 1.00 0.00 C ATOM 122 NZ LYS A 11 15.311 8.839 2.817 1.00 0.00 N ATOM 0 H LYS A 11 10.315 8.648 2.601 1.00 0.00 H new ATOM 0 HA LYS A 11 12.145 8.920 0.466 1.00 0.00 H new ATOM 0 HB2 LYS A 11 10.762 6.556 1.824 1.00 0.00 H new ATOM 0 HB3 LYS A 11 11.939 6.331 0.545 1.00 0.00 H new ATOM 0 HG2 LYS A 11 12.710 8.003 2.940 1.00 0.00 H new ATOM 0 HG3 LYS A 11 12.663 6.259 3.108 1.00 0.00 H new ATOM 0 HD2 LYS A 11 14.310 5.941 1.359 1.00 0.00 H new ATOM 0 HD3 LYS A 11 14.161 7.599 0.812 1.00 0.00 H new ATOM 0 HE2 LYS A 11 15.128 6.898 3.613 1.00 0.00 H new ATOM 0 HE3 LYS A 11 16.225 7.028 2.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 16.188 9.106 3.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 15.282 9.300 1.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 14.492 9.145 3.380 1.00 0.00 H new ATOM 136 N PRO A 12 10.925 8.086 -1.672 1.00 0.00 N ATOM 137 CA PRO A 12 10.155 7.802 -2.870 1.00 0.00 C ATOM 138 C PRO A 12 9.680 6.344 -2.786 1.00 0.00 C ATOM 139 O PRO A 12 10.331 5.491 -2.175 1.00 0.00 O ATOM 140 CB PRO A 12 11.105 8.079 -4.042 1.00 0.00 C ATOM 141 CG PRO A 12 12.491 7.906 -3.437 1.00 0.00 C ATOM 142 CD PRO A 12 12.318 8.344 -1.993 1.00 0.00 C ATOM 0 HA PRO A 12 9.260 8.412 -2.993 1.00 0.00 H new ATOM 0 HB2 PRO A 12 10.938 7.384 -4.865 1.00 0.00 H new ATOM 0 HB3 PRO A 12 10.965 9.084 -4.441 1.00 0.00 H new ATOM 0 HG2 PRO A 12 12.829 6.872 -3.503 1.00 0.00 H new ATOM 0 HG3 PRO A 12 13.231 8.517 -3.954 1.00 0.00 H new ATOM 0 HD2 PRO A 12 12.982 7.787 -1.332 1.00 0.00 H new ATOM 0 HD3 PRO A 12 12.559 9.400 -1.872 1.00 0.00 H new ATOM 150 N LEU A 13 8.568 6.036 -3.452 1.00 0.00 N ATOM 151 CA LEU A 13 7.940 4.715 -3.475 1.00 0.00 C ATOM 152 C LEU A 13 8.909 3.569 -3.818 1.00 0.00 C ATOM 153 O LEU A 13 8.710 2.468 -3.322 1.00 0.00 O ATOM 154 CB LEU A 13 6.732 4.779 -4.434 1.00 0.00 C ATOM 155 CG LEU A 13 6.123 3.435 -4.910 1.00 0.00 C ATOM 156 CD1 LEU A 13 4.627 3.583 -5.211 1.00 0.00 C ATOM 157 CD2 LEU A 13 6.811 2.970 -6.204 1.00 0.00 C ATOM 0 H LEU A 13 8.062 6.723 -4.010 1.00 0.00 H new ATOM 0 HA LEU A 13 7.604 4.472 -2.467 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.944 5.351 -3.944 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.033 5.343 -5.317 1.00 0.00 H new ATOM 0 HG LEU A 13 6.271 2.711 -4.109 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.226 2.625 -5.543 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.104 3.902 -4.309 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.485 4.327 -5.995 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.375 2.025 -6.529 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.670 3.721 -6.981 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.877 2.834 -6.021 1.00 0.00 H new ATOM 169 N HIS A 14 9.948 3.778 -4.635 1.00 0.00 N ATOM 170 CA HIS A 14 10.882 2.697 -4.981 1.00 0.00 C ATOM 171 C HIS A 14 11.762 2.243 -3.798 1.00 0.00 C ATOM 172 O HIS A 14 12.406 1.200 -3.887 1.00 0.00 O ATOM 173 CB HIS A 14 11.737 3.064 -6.202 1.00 0.00 C ATOM 174 CG HIS A 14 12.263 4.473 -6.249 1.00 0.00 C ATOM 175 ND1 HIS A 14 13.356 4.979 -5.578 1.00 0.00 N ATOM 176 CD2 HIS A 14 11.764 5.461 -7.052 1.00 0.00 C ATOM 177 CE1 HIS A 14 13.505 6.253 -5.981 1.00 0.00 C ATOM 178 NE2 HIS A 14 12.569 6.590 -6.886 1.00 0.00 N ATOM 0 H HIS A 14 10.163 4.677 -5.066 1.00 0.00 H new ATOM 0 HA HIS A 14 10.262 1.839 -5.242 1.00 0.00 H new ATOM 0 HB2 HIS A 14 12.585 2.381 -6.243 1.00 0.00 H new ATOM 0 HB3 HIS A 14 11.144 2.890 -7.100 1.00 0.00 H new ATOM 0 HD2 HIS A 14 10.902 5.382 -7.698 1.00 0.00 H new ATOM 0 HE1 HIS A 14 14.276 6.919 -5.624 1.00 0.00 H new ATOM 0 HE2 HIS A 14 12.467 7.489 -7.356 1.00 0.00 H new ATOM 186 N GLU A 15 11.836 2.993 -2.694 1.00 0.00 N ATOM 187 CA GLU A 15 12.648 2.624 -1.524 1.00 0.00 C ATOM 188 C GLU A 15 11.822 1.812 -0.527 1.00 0.00 C ATOM 189 O GLU A 15 12.354 1.235 0.421 1.00 0.00 O ATOM 190 CB GLU A 15 13.105 3.895 -0.795 1.00 0.00 C ATOM 191 CG GLU A 15 13.956 4.836 -1.651 1.00 0.00 C ATOM 192 CD GLU A 15 15.292 4.239 -2.073 1.00 0.00 C ATOM 193 OE1 GLU A 15 15.985 3.626 -1.228 1.00 0.00 O ATOM 194 OE2 GLU A 15 15.692 4.451 -3.242 1.00 0.00 O ATOM 0 H GLU A 15 11.335 3.875 -2.584 1.00 0.00 H new ATOM 0 HA GLU A 15 13.497 2.039 -1.879 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.226 4.436 -0.445 1.00 0.00 H new ATOM 0 HB3 GLU A 15 13.676 3.609 0.088 1.00 0.00 H new ATOM 0 HG2 GLU A 15 13.393 5.111 -2.543 1.00 0.00 H new ATOM 0 HG3 GLU A 15 14.138 5.755 -1.094 1.00 0.00 H new ATOM 201 N GLN A 16 10.511 1.803 -0.736 1.00 0.00 N ATOM 202 CA GLN A 16 9.549 1.130 0.097 1.00 0.00 C ATOM 203 C GLN A 16 9.703 -0.379 0.031 1.00 0.00 C ATOM 204 O GLN A 16 9.647 -0.972 -1.050 1.00 0.00 O ATOM 205 CB GLN A 16 8.148 1.548 -0.350 1.00 0.00 C ATOM 206 CG GLN A 16 7.908 3.059 -0.224 1.00 0.00 C ATOM 207 CD GLN A 16 7.961 3.526 1.223 1.00 0.00 C ATOM 208 OE1 GLN A 16 7.674 2.769 2.144 1.00 0.00 O ATOM 209 NE2 GLN A 16 8.327 4.772 1.456 1.00 0.00 N ATOM 0 H GLN A 16 10.082 2.287 -1.525 1.00 0.00 H new ATOM 0 HA GLN A 16 9.716 1.417 1.135 1.00 0.00 H new ATOM 0 HB2 GLN A 16 7.997 1.246 -1.387 1.00 0.00 H new ATOM 0 HB3 GLN A 16 7.407 1.016 0.248 1.00 0.00 H new ATOM 0 HG2 GLN A 16 8.658 3.595 -0.806 1.00 0.00 H new ATOM 0 HG3 GLN A 16 6.936 3.308 -0.650 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.562 5.388 0.678 1.00 0.00 H new ATOM 0 HE22 GLN A 16 8.375 5.119 2.414 1.00 0.00 H new ATOM 218 N LEU A 17 9.825 -0.998 1.204 1.00 0.00 N ATOM 219 CA LEU A 17 9.954 -2.440 1.389 1.00 0.00 C ATOM 220 C LEU A 17 8.775 -3.181 0.752 1.00 0.00 C ATOM 221 O LEU A 17 8.945 -4.271 0.209 1.00 0.00 O ATOM 222 CB LEU A 17 10.061 -2.805 2.893 1.00 0.00 C ATOM 223 CG LEU A 17 8.798 -2.633 3.776 1.00 0.00 C ATOM 224 CD1 LEU A 17 9.004 -3.250 5.157 1.00 0.00 C ATOM 225 CD2 LEU A 17 8.421 -1.163 3.995 1.00 0.00 C ATOM 0 H LEU A 17 9.837 -0.487 2.086 1.00 0.00 H new ATOM 0 HA LEU A 17 10.873 -2.753 0.892 1.00 0.00 H new ATOM 0 HB2 LEU A 17 10.377 -3.846 2.962 1.00 0.00 H new ATOM 0 HB3 LEU A 17 10.857 -2.200 3.327 1.00 0.00 H new ATOM 0 HG LEU A 17 7.999 -3.137 3.233 1.00 0.00 H new ATOM 0 HD11 LEU A 17 8.102 -3.114 5.754 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.213 -4.315 5.052 1.00 0.00 H new ATOM 0 HD13 LEU A 17 9.844 -2.762 5.652 1.00 0.00 H new ATOM 0 HD21 LEU A 17 7.530 -1.105 4.620 1.00 0.00 H new ATOM 0 HD22 LEU A 17 9.244 -0.646 4.488 1.00 0.00 H new ATOM 0 HD23 LEU A 17 8.221 -0.692 3.033 1.00 0.00 H new ATOM 237 N TRP A 18 7.592 -2.561 0.804 1.00 0.00 N ATOM 238 CA TRP A 18 6.336 -3.072 0.290 1.00 0.00 C ATOM 239 C TRP A 18 6.114 -2.820 -1.195 1.00 0.00 C ATOM 240 O TRP A 18 5.064 -3.203 -1.724 1.00 0.00 O ATOM 241 CB TRP A 18 5.212 -2.486 1.143 1.00 0.00 C ATOM 242 CG TRP A 18 5.166 -0.995 1.353 1.00 0.00 C ATOM 243 CD1 TRP A 18 5.383 -0.385 2.539 1.00 0.00 C ATOM 244 CD2 TRP A 18 4.864 0.092 0.417 1.00 0.00 C ATOM 245 NE1 TRP A 18 5.186 0.973 2.422 1.00 0.00 N ATOM 246 CE2 TRP A 18 4.844 1.321 1.138 1.00 0.00 C ATOM 247 CE3 TRP A 18 4.633 0.187 -0.972 1.00 0.00 C ATOM 248 CZ2 TRP A 18 4.560 2.549 0.526 1.00 0.00 C ATOM 249 CZ3 TRP A 18 4.406 1.424 -1.610 1.00 0.00 C ATOM 250 CH2 TRP A 18 4.344 2.605 -0.858 1.00 0.00 C ATOM 0 H TRP A 18 7.489 -1.640 1.231 1.00 0.00 H new ATOM 0 HA TRP A 18 6.355 -4.159 0.366 1.00 0.00 H new ATOM 0 HB2 TRP A 18 4.265 -2.786 0.694 1.00 0.00 H new ATOM 0 HB3 TRP A 18 5.262 -2.957 2.125 1.00 0.00 H new ATOM 0 HD1 TRP A 18 5.670 -0.890 3.449 1.00 0.00 H new ATOM 0 HE1 TRP A 18 5.282 1.636 3.191 1.00 0.00 H new ATOM 0 HE3 TRP A 18 4.630 -0.716 -1.565 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 4.508 3.450 1.119 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 4.279 1.461 -2.682 1.00 0.00 H new ATOM 0 HH2 TRP A 18 4.132 3.548 -1.340 1.00 0.00 H new ATOM 261 N TYR A 19 7.009 -2.105 -1.877 1.00 0.00 N ATOM 262 CA TYR A 19 6.861 -1.867 -3.299 1.00 0.00 C ATOM 263 C TYR A 19 7.656 -2.992 -3.942 1.00 0.00 C ATOM 264 O TYR A 19 8.856 -2.876 -4.166 1.00 0.00 O ATOM 265 CB TYR A 19 7.331 -0.479 -3.722 1.00 0.00 C ATOM 266 CG TYR A 19 7.282 -0.337 -5.233 1.00 0.00 C ATOM 267 CD1 TYR A 19 6.063 -0.480 -5.927 1.00 0.00 C ATOM 268 CD2 TYR A 19 8.470 -0.150 -5.956 1.00 0.00 C ATOM 269 CE1 TYR A 19 6.032 -0.420 -7.334 1.00 0.00 C ATOM 270 CE2 TYR A 19 8.449 -0.072 -7.357 1.00 0.00 C ATOM 271 CZ TYR A 19 7.232 -0.224 -8.064 1.00 0.00 C ATOM 272 OH TYR A 19 7.235 -0.258 -9.433 1.00 0.00 O ATOM 0 H TYR A 19 7.840 -1.684 -1.462 1.00 0.00 H new ATOM 0 HA TYR A 19 5.817 -1.873 -3.613 1.00 0.00 H new ATOM 0 HB2 TYR A 19 6.702 0.281 -3.259 1.00 0.00 H new ATOM 0 HB3 TYR A 19 8.348 -0.310 -3.368 1.00 0.00 H new ATOM 0 HD1 TYR A 19 5.147 -0.637 -5.376 1.00 0.00 H new ATOM 0 HD2 TYR A 19 9.409 -0.065 -5.429 1.00 0.00 H new ATOM 0 HE1 TYR A 19 5.093 -0.523 -7.858 1.00 0.00 H new ATOM 0 HE2 TYR A 19 9.366 0.105 -7.899 1.00 0.00 H new ATOM 0 HH TYR A 19 6.486 0.273 -9.775 1.00 0.00 H new ATOM 282 N HIS A 20 6.982 -4.107 -4.205 1.00 0.00 N ATOM 283 CA HIS A 20 7.619 -5.275 -4.795 1.00 0.00 C ATOM 284 C HIS A 20 8.157 -4.944 -6.190 1.00 0.00 C ATOM 285 O HIS A 20 9.363 -4.985 -6.401 1.00 0.00 O ATOM 286 CB HIS A 20 6.662 -6.471 -4.764 1.00 0.00 C ATOM 287 CG HIS A 20 6.441 -7.003 -3.366 1.00 0.00 C ATOM 288 ND1 HIS A 20 6.919 -8.191 -2.858 1.00 0.00 N ATOM 289 CD2 HIS A 20 5.781 -6.375 -2.345 1.00 0.00 C ATOM 290 CE1 HIS A 20 6.557 -8.246 -1.563 1.00 0.00 C ATOM 291 NE2 HIS A 20 5.854 -7.166 -1.214 1.00 0.00 N ATOM 0 H HIS A 20 5.987 -4.225 -4.016 1.00 0.00 H new ATOM 0 HA HIS A 20 8.487 -5.566 -4.203 1.00 0.00 H new ATOM 0 HB2 HIS A 20 5.704 -6.176 -5.192 1.00 0.00 H new ATOM 0 HB3 HIS A 20 7.061 -7.267 -5.393 1.00 0.00 H new ATOM 0 HD1 HIS A 20 7.449 -8.898 -3.368 1.00 0.00 H new ATOM 0 HD2 HIS A 20 5.285 -5.418 -2.412 1.00 0.00 H new ATOM 0 HE1 HIS A 20 6.803 -9.057 -0.894 1.00 0.00 H new ATOM 299 N GLY A 21 7.282 -4.598 -7.138 1.00 0.00 N ATOM 300 CA GLY A 21 7.699 -4.258 -8.496 1.00 0.00 C ATOM 301 C GLY A 21 6.984 -5.117 -9.524 1.00 0.00 C ATOM 302 O GLY A 21 7.474 -6.173 -9.910 1.00 0.00 O ATOM 0 H GLY A 21 6.275 -4.547 -6.986 1.00 0.00 H new ATOM 0 HA2 GLY A 21 7.491 -3.206 -8.690 1.00 0.00 H new ATOM 0 HA3 GLY A 21 8.776 -4.393 -8.592 1.00 0.00 H new ATOM 306 N ALA A 22 5.775 -4.697 -9.904 1.00 0.00 N ATOM 307 CA ALA A 22 4.861 -5.307 -10.882 1.00 0.00 C ATOM 308 C ALA A 22 4.606 -6.826 -10.809 1.00 0.00 C ATOM 309 O ALA A 22 3.925 -7.350 -11.694 1.00 0.00 O ATOM 310 CB ALA A 22 5.287 -4.901 -12.297 1.00 0.00 C ATOM 0 H ALA A 22 5.373 -3.850 -9.503 1.00 0.00 H new ATOM 0 HA ALA A 22 3.888 -4.902 -10.602 1.00 0.00 H new ATOM 0 HB1 ALA A 22 4.611 -5.352 -13.024 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.249 -3.816 -12.391 1.00 0.00 H new ATOM 0 HB3 ALA A 22 6.304 -5.246 -12.484 1.00 0.00 H new ATOM 316 N ILE A 23 5.032 -7.491 -9.736 1.00 0.00 N ATOM 317 CA ILE A 23 4.919 -8.929 -9.480 1.00 0.00 C ATOM 318 C ILE A 23 3.546 -9.536 -9.824 1.00 0.00 C ATOM 319 O ILE A 23 2.516 -8.856 -9.696 1.00 0.00 O ATOM 320 CB ILE A 23 5.320 -9.241 -8.020 1.00 0.00 C ATOM 321 CG1 ILE A 23 4.425 -8.501 -7.000 1.00 0.00 C ATOM 322 CG2 ILE A 23 6.810 -8.918 -7.800 1.00 0.00 C ATOM 323 CD1 ILE A 23 4.504 -9.124 -5.606 1.00 0.00 C ATOM 0 H ILE A 23 5.498 -7.007 -8.968 1.00 0.00 H new ATOM 0 HA ILE A 23 5.615 -9.413 -10.165 1.00 0.00 H new ATOM 0 HB ILE A 23 5.166 -10.307 -7.850 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.726 -7.455 -6.946 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.392 -8.518 -7.346 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.082 -9.141 -6.768 1.00 0.00 H new ATOM 0 HG22 ILE A 23 7.417 -9.522 -8.474 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.987 -7.861 -8.001 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.859 -8.571 -4.923 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.177 -10.163 -5.653 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.532 -9.083 -5.247 1.00 0.00 H new ATOM 335 N PRO A 24 3.508 -10.823 -10.221 1.00 0.00 N ATOM 336 CA PRO A 24 2.271 -11.496 -10.578 1.00 0.00 C ATOM 337 C PRO A 24 1.429 -11.825 -9.349 1.00 0.00 C ATOM 338 O PRO A 24 1.942 -12.013 -8.242 1.00 0.00 O ATOM 339 CB PRO A 24 2.702 -12.781 -11.292 1.00 0.00 C ATOM 340 CG PRO A 24 4.045 -13.103 -10.648 1.00 0.00 C ATOM 341 CD PRO A 24 4.645 -11.721 -10.412 1.00 0.00 C ATOM 0 HA PRO A 24 1.647 -10.861 -11.207 1.00 0.00 H new ATOM 0 HB2 PRO A 24 1.981 -13.585 -11.144 1.00 0.00 H new ATOM 0 HB3 PRO A 24 2.797 -12.632 -12.368 1.00 0.00 H new ATOM 0 HG2 PRO A 24 3.925 -13.656 -9.717 1.00 0.00 H new ATOM 0 HG3 PRO A 24 4.672 -13.710 -11.301 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.295 -11.721 -9.537 1.00 0.00 H new ATOM 0 HD3 PRO A 24 5.253 -11.408 -11.261 1.00 0.00 H new ATOM 349 N ARG A 25 0.117 -11.981 -9.547 1.00 0.00 N ATOM 350 CA ARG A 25 -0.796 -12.299 -8.449 1.00 0.00 C ATOM 351 C ARG A 25 -0.482 -13.640 -7.794 1.00 0.00 C ATOM 352 O ARG A 25 -0.887 -13.834 -6.646 1.00 0.00 O ATOM 353 CB ARG A 25 -2.269 -12.201 -8.878 1.00 0.00 C ATOM 354 CG ARG A 25 -2.681 -13.230 -9.940 1.00 0.00 C ATOM 355 CD ARG A 25 -4.158 -13.064 -10.303 1.00 0.00 C ATOM 356 NE ARG A 25 -4.546 -14.026 -11.337 1.00 0.00 N ATOM 357 CZ ARG A 25 -5.733 -14.143 -11.934 1.00 0.00 C ATOM 358 NH1 ARG A 25 -6.744 -13.328 -11.647 1.00 0.00 N ATOM 359 NH2 ARG A 25 -5.896 -15.103 -12.832 1.00 0.00 N ATOM 0 H ARG A 25 -0.335 -11.892 -10.457 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.633 -11.538 -7.686 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -2.902 -12.328 -7.999 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -2.458 -11.200 -9.265 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -2.066 -13.108 -10.831 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -2.504 -14.238 -9.566 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -4.774 -13.207 -9.416 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -4.339 -12.049 -10.657 1.00 0.00 H new ATOM 0 HE ARG A 25 -3.825 -14.683 -11.635 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -6.623 -12.589 -10.954 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -7.641 -13.442 -12.120 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -5.124 -15.731 -13.053 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -6.794 -15.214 -13.303 1.00 0.00 H new ATOM 373 N ALA A 26 0.213 -14.539 -8.499 1.00 0.00 N ATOM 374 CA ALA A 26 0.586 -15.838 -7.970 1.00 0.00 C ATOM 375 C ALA A 26 1.462 -15.669 -6.723 1.00 0.00 C ATOM 376 O ALA A 26 1.260 -16.375 -5.739 1.00 0.00 O ATOM 377 CB ALA A 26 1.312 -16.649 -9.046 1.00 0.00 C ATOM 0 H ALA A 26 0.530 -14.377 -9.455 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.314 -16.380 -7.680 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.589 -17.623 -8.642 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.654 -16.786 -9.904 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.210 -16.117 -9.359 1.00 0.00 H new ATOM 383 N GLU A 27 2.402 -14.723 -6.770 1.00 0.00 N ATOM 384 CA GLU A 27 3.325 -14.440 -5.677 1.00 0.00 C ATOM 385 C GLU A 27 2.661 -13.598 -4.602 1.00 0.00 C ATOM 386 O GLU A 27 2.859 -13.854 -3.420 1.00 0.00 O ATOM 387 CB GLU A 27 4.543 -13.686 -6.225 1.00 0.00 C ATOM 388 CG GLU A 27 5.508 -14.689 -6.850 1.00 0.00 C ATOM 389 CD GLU A 27 6.329 -14.083 -7.972 1.00 0.00 C ATOM 390 OE1 GLU A 27 6.960 -13.018 -7.777 1.00 0.00 O ATOM 391 OE2 GLU A 27 6.295 -14.669 -9.077 1.00 0.00 O ATOM 0 H GLU A 27 2.543 -14.124 -7.583 1.00 0.00 H new ATOM 0 HA GLU A 27 3.632 -15.387 -5.234 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.229 -12.953 -6.968 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.038 -13.137 -5.424 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.178 -15.072 -6.080 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.945 -15.539 -7.235 1.00 0.00 H new ATOM 398 N VAL A 28 1.853 -12.618 -5.012 1.00 0.00 N ATOM 399 CA VAL A 28 1.155 -11.708 -4.111 1.00 0.00 C ATOM 400 C VAL A 28 0.430 -12.480 -3.013 1.00 0.00 C ATOM 401 O VAL A 28 0.614 -12.147 -1.848 1.00 0.00 O ATOM 402 CB VAL A 28 0.193 -10.818 -4.913 1.00 0.00 C ATOM 403 CG1 VAL A 28 -0.688 -9.933 -4.018 1.00 0.00 C ATOM 404 CG2 VAL A 28 0.963 -9.918 -5.884 1.00 0.00 C ATOM 0 H VAL A 28 1.664 -12.434 -5.997 1.00 0.00 H new ATOM 0 HA VAL A 28 1.884 -11.063 -3.620 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.456 -11.500 -5.462 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.346 -9.327 -4.641 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.288 -10.563 -3.361 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.056 -9.280 -3.416 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.260 -9.298 -6.440 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.646 -9.280 -5.324 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.531 -10.535 -6.580 1.00 0.00 H new ATOM 414 N ALA A 29 -0.355 -13.500 -3.373 1.00 0.00 N ATOM 415 CA ALA A 29 -1.133 -14.312 -2.441 1.00 0.00 C ATOM 416 C ALA A 29 -0.325 -14.981 -1.317 1.00 0.00 C ATOM 417 O ALA A 29 -0.918 -15.508 -0.372 1.00 0.00 O ATOM 418 CB ALA A 29 -1.848 -15.403 -3.234 1.00 0.00 C ATOM 0 H ALA A 29 -0.468 -13.788 -4.345 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.817 -13.623 -1.946 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -2.435 -16.021 -2.555 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.508 -14.944 -3.970 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.112 -16.024 -3.744 1.00 0.00 H new ATOM 424 N GLU A 30 1.001 -15.035 -1.442 1.00 0.00 N ATOM 425 CA GLU A 30 1.878 -15.635 -0.452 1.00 0.00 C ATOM 426 C GLU A 30 2.465 -14.585 0.493 1.00 0.00 C ATOM 427 O GLU A 30 2.968 -14.940 1.555 1.00 0.00 O ATOM 428 CB GLU A 30 3.055 -16.318 -1.167 1.00 0.00 C ATOM 429 CG GLU A 30 2.637 -17.475 -2.076 1.00 0.00 C ATOM 430 CD GLU A 30 1.985 -18.585 -1.263 1.00 0.00 C ATOM 431 OE1 GLU A 30 2.681 -19.224 -0.448 1.00 0.00 O ATOM 432 OE2 GLU A 30 0.769 -18.823 -1.425 1.00 0.00 O ATOM 0 H GLU A 30 1.498 -14.656 -2.248 1.00 0.00 H new ATOM 0 HA GLU A 30 1.285 -16.347 0.123 1.00 0.00 H new ATOM 0 HB2 GLU A 30 3.587 -15.575 -1.761 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.756 -16.690 -0.420 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.942 -17.116 -2.835 1.00 0.00 H new ATOM 0 HG3 GLU A 30 3.509 -17.865 -2.601 1.00 0.00 H new ATOM 439 N LEU A 31 2.443 -13.306 0.118 1.00 0.00 N ATOM 440 CA LEU A 31 3.000 -12.245 0.929 1.00 0.00 C ATOM 441 C LEU A 31 2.079 -11.907 2.087 1.00 0.00 C ATOM 442 O LEU A 31 2.552 -11.765 3.213 1.00 0.00 O ATOM 443 CB LEU A 31 3.223 -11.003 0.061 1.00 0.00 C ATOM 444 CG LEU A 31 4.085 -11.231 -1.188 1.00 0.00 C ATOM 445 CD1 LEU A 31 3.997 -9.973 -2.046 1.00 0.00 C ATOM 446 CD2 LEU A 31 5.533 -11.561 -0.805 1.00 0.00 C ATOM 0 H LEU A 31 2.036 -12.985 -0.760 1.00 0.00 H new ATOM 0 HA LEU A 31 3.952 -12.583 1.339 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.252 -10.617 -0.251 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.691 -10.231 0.671 1.00 0.00 H new ATOM 0 HG LEU A 31 3.718 -12.087 -1.754 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.600 -10.102 -2.944 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.959 -9.797 -2.328 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.369 -9.119 -1.479 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.122 -11.718 -1.709 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.956 -10.734 -0.235 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.552 -12.466 -0.198 1.00 0.00 H new ATOM 458 N LEU A 32 0.787 -11.731 1.797 1.00 0.00 N ATOM 459 CA LEU A 32 -0.207 -11.389 2.809 1.00 0.00 C ATOM 460 C LEU A 32 -0.672 -12.666 3.487 1.00 0.00 C ATOM 461 O LEU A 32 -1.023 -13.626 2.796 1.00 0.00 O ATOM 462 CB LEU A 32 -1.434 -10.660 2.223 1.00 0.00 C ATOM 463 CG LEU A 32 -1.172 -9.858 0.938 1.00 0.00 C ATOM 464 CD1 LEU A 32 -1.472 -10.693 -0.305 1.00 0.00 C ATOM 465 CD2 LEU A 32 -2.075 -8.651 0.840 1.00 0.00 C ATOM 0 H LEU A 32 0.405 -11.822 0.856 1.00 0.00 H new ATOM 0 HA LEU A 32 0.267 -10.709 3.517 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.210 -11.397 2.019 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.829 -9.982 2.980 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.123 -9.565 0.985 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.277 -10.099 -1.198 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.835 -11.578 -0.312 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.518 -10.999 -0.294 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.860 -8.110 -0.081 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.116 -8.975 0.836 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.902 -7.997 1.694 1.00 0.00 H new ATOM 477 N VAL A 33 -0.744 -12.657 4.815 1.00 0.00 N ATOM 478 CA VAL A 33 -1.178 -13.796 5.617 1.00 0.00 C ATOM 479 C VAL A 33 -2.157 -13.340 6.708 1.00 0.00 C ATOM 480 O VAL A 33 -3.041 -14.110 7.092 1.00 0.00 O ATOM 481 CB VAL A 33 0.052 -14.510 6.232 1.00 0.00 C ATOM 482 CG1 VAL A 33 -0.335 -15.899 6.766 1.00 0.00 C ATOM 483 CG2 VAL A 33 1.227 -14.694 5.252 1.00 0.00 C ATOM 0 H VAL A 33 -0.497 -11.841 5.375 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.700 -14.506 4.975 1.00 0.00 H new ATOM 0 HB VAL A 33 0.384 -13.852 7.035 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.544 -16.382 7.193 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.101 -15.793 7.535 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.723 -16.508 5.949 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.048 -15.201 5.759 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.901 -15.292 4.401 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.565 -13.719 4.901 1.00 0.00 H new ATOM 493 N HIS A 34 -2.114 -12.071 7.131 1.00 0.00 N ATOM 494 CA HIS A 34 -2.969 -11.548 8.187 1.00 0.00 C ATOM 495 C HIS A 34 -3.777 -10.326 7.773 1.00 0.00 C ATOM 496 O HIS A 34 -3.495 -9.666 6.774 1.00 0.00 O ATOM 497 CB HIS A 34 -2.058 -11.220 9.374 1.00 0.00 C ATOM 498 CG HIS A 34 -1.194 -12.396 9.752 1.00 0.00 C ATOM 499 ND1 HIS A 34 -1.658 -13.647 10.092 1.00 0.00 N ATOM 500 CD2 HIS A 34 0.170 -12.465 9.658 1.00 0.00 C ATOM 501 CE1 HIS A 34 -0.599 -14.465 10.194 1.00 0.00 C ATOM 502 NE2 HIS A 34 0.539 -13.779 9.976 1.00 0.00 N ATOM 0 H HIS A 34 -1.476 -11.377 6.742 1.00 0.00 H new ATOM 0 HA HIS A 34 -3.715 -12.301 8.442 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -1.425 -10.369 9.123 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -2.666 -10.925 10.229 1.00 0.00 H new ATOM 0 HD2 HIS A 34 0.836 -11.659 9.389 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -0.652 -15.520 10.418 1.00 0.00 H new ATOM 0 HE2 HIS A 34 1.489 -14.146 10.032 1.00 0.00 H new ATOM 510 N SER A 35 -4.818 -10.033 8.553 1.00 0.00 N ATOM 511 CA SER A 35 -5.692 -8.899 8.327 1.00 0.00 C ATOM 512 C SER A 35 -4.881 -7.632 8.553 1.00 0.00 C ATOM 513 O SER A 35 -4.434 -7.403 9.679 1.00 0.00 O ATOM 514 CB SER A 35 -6.895 -8.953 9.280 1.00 0.00 C ATOM 515 OG SER A 35 -6.512 -9.368 10.584 1.00 0.00 O ATOM 0 H SER A 35 -5.075 -10.589 9.369 1.00 0.00 H new ATOM 0 HA SER A 35 -6.080 -8.916 7.309 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.362 -7.970 9.333 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.643 -9.640 8.884 1.00 0.00 H new ATOM 0 HG SER A 35 -5.675 -8.925 10.835 1.00 0.00 H new ATOM 521 N GLY A 36 -4.703 -6.804 7.525 1.00 0.00 N ATOM 522 CA GLY A 36 -3.953 -5.571 7.625 1.00 0.00 C ATOM 523 C GLY A 36 -2.645 -5.630 6.857 1.00 0.00 C ATOM 524 O GLY A 36 -2.067 -4.558 6.657 1.00 0.00 O ATOM 0 H GLY A 36 -5.082 -6.979 6.594 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.558 -4.748 7.245 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -3.747 -5.357 8.674 1.00 0.00 H new ATOM 528 N ASP A 37 -2.203 -6.823 6.440 1.00 0.00 N ATOM 529 CA ASP A 37 -0.974 -7.017 5.674 1.00 0.00 C ATOM 530 C ASP A 37 -1.219 -6.375 4.313 1.00 0.00 C ATOM 531 O ASP A 37 -2.243 -6.676 3.698 1.00 0.00 O ATOM 532 CB ASP A 37 -0.657 -8.506 5.426 1.00 0.00 C ATOM 533 CG ASP A 37 0.031 -9.259 6.566 1.00 0.00 C ATOM 534 OD1 ASP A 37 0.499 -8.627 7.547 1.00 0.00 O ATOM 535 OD2 ASP A 37 0.121 -10.497 6.430 1.00 0.00 O ATOM 0 H ASP A 37 -2.701 -7.693 6.631 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.140 -6.586 6.228 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.590 -9.019 5.193 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -0.025 -8.577 4.541 1.00 0.00 H new ATOM 540 N PHE A 38 -0.298 -5.547 3.817 1.00 0.00 N ATOM 541 CA PHE A 38 -0.393 -4.859 2.536 1.00 0.00 C ATOM 542 C PHE A 38 0.925 -4.734 1.772 1.00 0.00 C ATOM 543 O PHE A 38 2.009 -4.699 2.354 1.00 0.00 O ATOM 544 CB PHE A 38 -0.913 -3.428 2.752 1.00 0.00 C ATOM 545 CG PHE A 38 0.062 -2.433 3.357 1.00 0.00 C ATOM 546 CD1 PHE A 38 0.148 -2.293 4.751 1.00 0.00 C ATOM 547 CD2 PHE A 38 0.888 -1.645 2.530 1.00 0.00 C ATOM 548 CE1 PHE A 38 1.060 -1.386 5.316 1.00 0.00 C ATOM 549 CE2 PHE A 38 1.785 -0.725 3.097 1.00 0.00 C ATOM 550 CZ PHE A 38 1.869 -0.591 4.490 1.00 0.00 C ATOM 0 H PHE A 38 0.564 -5.332 4.317 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.067 -5.476 1.942 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.245 -3.038 1.790 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.791 -3.478 3.396 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.489 -2.885 5.392 1.00 0.00 H new ATOM 0 HD2 PHE A 38 0.831 -1.749 1.457 1.00 0.00 H new ATOM 0 HE1 PHE A 38 1.139 -1.300 6.390 1.00 0.00 H new ATOM 0 HE2 PHE A 38 2.411 -0.120 2.459 1.00 0.00 H new ATOM 0 HZ PHE A 38 2.554 0.121 4.926 1.00 0.00 H new ATOM 560 N LEU A 39 0.805 -4.601 0.447 1.00 0.00 N ATOM 561 CA LEU A 39 1.883 -4.401 -0.514 1.00 0.00 C ATOM 562 C LEU A 39 1.352 -3.606 -1.699 1.00 0.00 C ATOM 563 O LEU A 39 0.141 -3.535 -1.912 1.00 0.00 O ATOM 564 CB LEU A 39 2.621 -5.670 -0.977 1.00 0.00 C ATOM 565 CG LEU A 39 1.935 -6.816 -1.746 1.00 0.00 C ATOM 566 CD1 LEU A 39 0.792 -7.457 -0.975 1.00 0.00 C ATOM 567 CD2 LEU A 39 1.543 -6.451 -3.186 1.00 0.00 C ATOM 0 H LEU A 39 -0.108 -4.633 -0.007 1.00 0.00 H new ATOM 0 HA LEU A 39 2.654 -3.844 0.018 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.449 -5.334 -1.600 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.056 -6.117 -0.083 1.00 0.00 H new ATOM 0 HG LEU A 39 2.704 -7.582 -1.840 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.353 -8.256 -1.573 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.170 -7.870 -0.040 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.032 -6.706 -0.759 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.066 -7.308 -3.662 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.849 -5.611 -3.172 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.436 -6.175 -3.747 1.00 0.00 H new ATOM 579 N VAL A 40 2.245 -3.025 -2.497 1.00 0.00 N ATOM 580 CA VAL A 40 1.891 -2.243 -3.670 1.00 0.00 C ATOM 581 C VAL A 40 2.533 -2.903 -4.871 1.00 0.00 C ATOM 582 O VAL A 40 3.749 -3.114 -4.903 1.00 0.00 O ATOM 583 CB VAL A 40 2.333 -0.776 -3.515 1.00 0.00 C ATOM 584 CG1 VAL A 40 2.106 0.036 -4.797 1.00 0.00 C ATOM 585 CG2 VAL A 40 1.537 -0.096 -2.392 1.00 0.00 C ATOM 0 H VAL A 40 3.251 -3.088 -2.340 1.00 0.00 H new ATOM 0 HA VAL A 40 0.809 -2.219 -3.799 1.00 0.00 H new ATOM 0 HB VAL A 40 3.399 -0.798 -3.286 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.433 1.064 -4.639 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.678 -0.405 -5.613 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.046 0.027 -5.050 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.860 0.940 -2.293 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.474 -0.124 -2.631 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.711 -0.621 -1.453 1.00 0.00 H new ATOM 595 N ARG A 41 1.712 -3.254 -5.863 1.00 0.00 N ATOM 596 CA ARG A 41 2.199 -3.865 -7.085 1.00 0.00 C ATOM 597 C ARG A 41 1.741 -2.983 -8.227 1.00 0.00 C ATOM 598 O ARG A 41 0.616 -2.485 -8.225 1.00 0.00 O ATOM 599 CB ARG A 41 1.765 -5.327 -7.203 1.00 0.00 C ATOM 600 CG ARG A 41 0.256 -5.531 -7.408 1.00 0.00 C ATOM 601 CD ARG A 41 0.017 -7.038 -7.408 1.00 0.00 C ATOM 602 NE ARG A 41 -1.395 -7.424 -7.529 1.00 0.00 N ATOM 603 CZ ARG A 41 -2.120 -7.507 -8.650 1.00 0.00 C ATOM 604 NH1 ARG A 41 -1.666 -7.050 -9.813 1.00 0.00 N ATOM 605 NH2 ARG A 41 -3.313 -8.083 -8.580 1.00 0.00 N ATOM 0 H ARG A 41 0.701 -3.121 -5.836 1.00 0.00 H new ATOM 0 HA ARG A 41 3.287 -3.922 -7.098 1.00 0.00 H new ATOM 0 HB2 ARG A 41 2.297 -5.784 -8.037 1.00 0.00 H new ATOM 0 HB3 ARG A 41 2.071 -5.857 -6.301 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.312 -5.048 -6.613 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -0.071 -5.087 -8.348 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.575 -7.483 -8.231 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.419 -7.458 -6.486 1.00 0.00 H new ATOM 0 HE ARG A 41 -1.877 -7.655 -6.660 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -0.742 -6.622 -9.867 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -2.242 -7.127 -10.651 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -3.652 -8.447 -7.689 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -3.891 -8.162 -9.417 1.00 0.00 H new ATOM 619 N GLU A 42 2.649 -2.724 -9.151 1.00 0.00 N ATOM 620 CA GLU A 42 2.373 -1.909 -10.317 1.00 0.00 C ATOM 621 C GLU A 42 1.552 -2.775 -11.286 1.00 0.00 C ATOM 622 O GLU A 42 1.749 -3.997 -11.339 1.00 0.00 O ATOM 623 CB GLU A 42 3.733 -1.481 -10.880 1.00 0.00 C ATOM 624 CG GLU A 42 3.661 -0.449 -12.004 1.00 0.00 C ATOM 625 CD GLU A 42 5.038 0.184 -12.219 1.00 0.00 C ATOM 626 OE1 GLU A 42 5.490 0.957 -11.337 1.00 0.00 O ATOM 627 OE2 GLU A 42 5.668 -0.087 -13.266 1.00 0.00 O ATOM 0 H GLU A 42 3.605 -3.077 -9.112 1.00 0.00 H new ATOM 0 HA GLU A 42 1.795 -1.008 -10.112 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.335 -1.073 -10.068 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.253 -2.365 -11.249 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.322 -0.924 -12.925 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.932 0.322 -11.756 1.00 0.00 H new ATOM 634 N SER A 43 0.605 -2.177 -12.008 1.00 0.00 N ATOM 635 CA SER A 43 -0.227 -2.871 -12.980 1.00 0.00 C ATOM 636 C SER A 43 0.621 -3.306 -14.183 1.00 0.00 C ATOM 637 O SER A 43 1.801 -2.965 -14.287 1.00 0.00 O ATOM 638 CB SER A 43 -1.386 -1.959 -13.423 1.00 0.00 C ATOM 639 OG SER A 43 -2.348 -1.796 -12.398 1.00 0.00 O ATOM 0 H SER A 43 0.394 -1.182 -11.930 1.00 0.00 H new ATOM 0 HA SER A 43 -0.650 -3.765 -12.521 1.00 0.00 H new ATOM 0 HB2 SER A 43 -0.992 -0.984 -13.710 1.00 0.00 H new ATOM 0 HB3 SER A 43 -1.864 -2.382 -14.306 1.00 0.00 H new ATOM 0 HG SER A 43 -3.067 -1.210 -12.714 1.00 0.00 H new ATOM 645 N GLN A 44 -0.030 -4.006 -15.120 1.00 0.00 N ATOM 646 CA GLN A 44 0.495 -4.559 -16.367 1.00 0.00 C ATOM 647 C GLN A 44 1.638 -3.706 -16.948 1.00 0.00 C ATOM 648 O GLN A 44 2.753 -4.210 -17.084 1.00 0.00 O ATOM 649 CB GLN A 44 -0.701 -4.754 -17.318 1.00 0.00 C ATOM 650 CG GLN A 44 -0.463 -5.730 -18.477 1.00 0.00 C ATOM 651 CD GLN A 44 0.642 -5.273 -19.419 1.00 0.00 C ATOM 652 OE1 GLN A 44 1.694 -5.898 -19.515 1.00 0.00 O ATOM 653 NE2 GLN A 44 0.467 -4.149 -20.092 1.00 0.00 N ATOM 0 H GLN A 44 -1.022 -4.216 -15.012 1.00 0.00 H new ATOM 0 HA GLN A 44 0.967 -5.526 -16.197 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -1.553 -5.107 -16.737 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -0.977 -3.784 -17.732 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.207 -6.710 -18.074 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -1.388 -5.849 -19.041 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -0.410 -3.635 -20.007 1.00 0.00 H new ATOM 0 HE22 GLN A 44 1.209 -3.796 -20.696 1.00 0.00 H new ATOM 662 N GLY A 45 1.384 -2.425 -17.240 1.00 0.00 N ATOM 663 CA GLY A 45 2.391 -1.508 -17.781 1.00 0.00 C ATOM 664 C GLY A 45 2.006 -0.027 -17.700 1.00 0.00 C ATOM 665 O GLY A 45 2.869 0.850 -17.724 1.00 0.00 O ATOM 0 H GLY A 45 0.469 -1.994 -17.107 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.327 -1.658 -17.243 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.577 -1.766 -18.823 1.00 0.00 H new ATOM 669 N LYS A 46 0.718 0.274 -17.521 1.00 0.00 N ATOM 670 CA LYS A 46 0.115 1.608 -17.433 1.00 0.00 C ATOM 671 C LYS A 46 0.493 2.501 -16.235 1.00 0.00 C ATOM 672 O LYS A 46 -0.317 3.347 -15.870 1.00 0.00 O ATOM 673 CB LYS A 46 -1.404 1.455 -17.594 1.00 0.00 C ATOM 674 CG LYS A 46 -2.061 0.657 -16.461 1.00 0.00 C ATOM 675 CD LYS A 46 -3.585 0.729 -16.557 1.00 0.00 C ATOM 676 CE LYS A 46 -4.179 1.923 -15.802 1.00 0.00 C ATOM 677 NZ LYS A 46 -3.976 3.245 -16.434 1.00 0.00 N ATOM 0 H LYS A 46 0.017 -0.461 -17.427 1.00 0.00 H new ATOM 0 HA LYS A 46 0.558 2.180 -18.248 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.858 2.445 -17.642 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.613 0.962 -18.544 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.738 -0.383 -16.508 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.734 1.049 -15.498 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.875 0.790 -17.606 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.012 -0.192 -16.161 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -5.250 1.758 -15.683 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -3.747 1.949 -14.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.794 3.855 -16.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.114 3.684 -16.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.877 3.127 -17.462 1.00 0.00 H new ATOM 691 N GLN A 47 1.654 2.296 -15.605 1.00 0.00 N ATOM 692 CA GLN A 47 2.165 3.070 -14.468 1.00 0.00 C ATOM 693 C GLN A 47 1.108 3.396 -13.396 1.00 0.00 C ATOM 694 O GLN A 47 1.009 4.523 -12.900 1.00 0.00 O ATOM 695 CB GLN A 47 2.898 4.322 -14.989 1.00 0.00 C ATOM 696 CG GLN A 47 4.220 4.009 -15.704 1.00 0.00 C ATOM 697 CD GLN A 47 5.269 3.424 -14.763 1.00 0.00 C ATOM 698 OE1 GLN A 47 5.804 4.108 -13.890 1.00 0.00 O ATOM 699 NE2 GLN A 47 5.598 2.157 -14.927 1.00 0.00 N ATOM 0 H GLN A 47 2.293 1.552 -15.886 1.00 0.00 H new ATOM 0 HA GLN A 47 2.877 2.438 -13.937 1.00 0.00 H new ATOM 0 HB2 GLN A 47 2.242 4.857 -15.675 1.00 0.00 H new ATOM 0 HB3 GLN A 47 3.097 4.991 -14.152 1.00 0.00 H new ATOM 0 HG2 GLN A 47 4.033 3.306 -16.516 1.00 0.00 H new ATOM 0 HG3 GLN A 47 4.610 4.921 -16.156 1.00 0.00 H new ATOM 0 HE21 GLN A 47 5.146 1.603 -15.654 1.00 0.00 H new ATOM 0 HE22 GLN A 47 6.304 1.732 -14.326 1.00 0.00 H new ATOM 708 N GLU A 48 0.290 2.402 -13.053 1.00 0.00 N ATOM 709 CA GLU A 48 -0.765 2.496 -12.056 1.00 0.00 C ATOM 710 C GLU A 48 -0.374 1.554 -10.928 1.00 0.00 C ATOM 711 O GLU A 48 0.142 0.463 -11.191 1.00 0.00 O ATOM 712 CB GLU A 48 -2.103 2.140 -12.708 1.00 0.00 C ATOM 713 CG GLU A 48 -3.290 2.225 -11.741 1.00 0.00 C ATOM 714 CD GLU A 48 -4.595 2.152 -12.529 1.00 0.00 C ATOM 715 OE1 GLU A 48 -5.097 3.213 -12.959 1.00 0.00 O ATOM 716 OE2 GLU A 48 -5.060 1.030 -12.843 1.00 0.00 O ATOM 0 H GLU A 48 0.349 1.477 -13.480 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.884 3.501 -11.651 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.279 2.811 -13.549 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.045 1.130 -13.113 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.243 1.410 -11.018 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.246 3.156 -11.175 1.00 0.00 H new ATOM 723 N TYR A 49 -0.602 1.960 -9.683 1.00 0.00 N ATOM 724 CA TYR A 49 -0.268 1.172 -8.514 1.00 0.00 C ATOM 725 C TYR A 49 -1.534 0.576 -7.903 1.00 0.00 C ATOM 726 O TYR A 49 -2.594 1.205 -7.859 1.00 0.00 O ATOM 727 CB TYR A 49 0.477 2.072 -7.528 1.00 0.00 C ATOM 728 CG TYR A 49 1.793 2.648 -8.018 1.00 0.00 C ATOM 729 CD1 TYR A 49 2.891 1.813 -8.300 1.00 0.00 C ATOM 730 CD2 TYR A 49 1.924 4.042 -8.151 1.00 0.00 C ATOM 731 CE1 TYR A 49 4.121 2.374 -8.695 1.00 0.00 C ATOM 732 CE2 TYR A 49 3.155 4.607 -8.513 1.00 0.00 C ATOM 733 CZ TYR A 49 4.263 3.780 -8.784 1.00 0.00 C ATOM 734 OH TYR A 49 5.439 4.359 -9.149 1.00 0.00 O ATOM 0 H TYR A 49 -1.030 2.859 -9.461 1.00 0.00 H new ATOM 0 HA TYR A 49 0.377 0.335 -8.783 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -0.179 2.898 -7.254 1.00 0.00 H new ATOM 0 HB3 TYR A 49 0.669 1.502 -6.619 1.00 0.00 H new ATOM 0 HD1 TYR A 49 2.790 0.741 -8.213 1.00 0.00 H new ATOM 0 HD2 TYR A 49 1.072 4.681 -7.973 1.00 0.00 H new ATOM 0 HE1 TYR A 49 4.956 1.731 -8.930 1.00 0.00 H new ATOM 0 HE2 TYR A 49 3.254 5.680 -8.584 1.00 0.00 H new ATOM 0 HH TYR A 49 5.336 5.334 -9.153 1.00 0.00 H new ATOM 744 N VAL A 50 -1.408 -0.629 -7.352 1.00 0.00 N ATOM 745 CA VAL A 50 -2.501 -1.359 -6.737 1.00 0.00 C ATOM 746 C VAL A 50 -2.063 -1.851 -5.366 1.00 0.00 C ATOM 747 O VAL A 50 -1.133 -2.655 -5.243 1.00 0.00 O ATOM 748 CB VAL A 50 -2.935 -2.500 -7.669 1.00 0.00 C ATOM 749 CG1 VAL A 50 -3.993 -3.381 -6.995 1.00 0.00 C ATOM 750 CG2 VAL A 50 -3.470 -1.936 -8.995 1.00 0.00 C ATOM 0 H VAL A 50 -0.521 -1.132 -7.323 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.368 -0.715 -6.589 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.062 -3.118 -7.881 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.285 -4.182 -7.674 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.581 -3.811 -6.082 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.866 -2.777 -6.749 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.773 -2.758 -9.644 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.328 -1.294 -8.797 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.688 -1.356 -9.485 1.00 0.00 H new ATOM 760 N LEU A 51 -2.724 -1.321 -4.341 1.00 0.00 N ATOM 761 CA LEU A 51 -2.507 -1.641 -2.946 1.00 0.00 C ATOM 762 C LEU A 51 -3.251 -2.948 -2.693 1.00 0.00 C ATOM 763 O LEU A 51 -4.482 -2.997 -2.715 1.00 0.00 O ATOM 764 CB LEU A 51 -3.067 -0.499 -2.096 1.00 0.00 C ATOM 765 CG LEU A 51 -2.709 -0.523 -0.604 1.00 0.00 C ATOM 766 CD1 LEU A 51 -1.218 -0.612 -0.276 1.00 0.00 C ATOM 767 CD2 LEU A 51 -3.232 0.789 -0.019 1.00 0.00 C ATOM 0 H LEU A 51 -3.458 -0.625 -4.474 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.453 -1.757 -2.692 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.717 0.444 -2.517 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.153 -0.505 -2.187 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.152 -1.428 -0.188 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.083 -0.622 0.806 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.806 -1.527 -0.701 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.701 0.250 -0.698 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.005 0.828 1.046 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.754 1.629 -0.523 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.311 0.847 -0.162 1.00 0.00 H new ATOM 779 N SER A 52 -2.520 -4.048 -2.631 1.00 0.00 N ATOM 780 CA SER A 52 -3.077 -5.357 -2.387 1.00 0.00 C ATOM 781 C SER A 52 -2.974 -5.576 -0.892 1.00 0.00 C ATOM 782 O SER A 52 -1.872 -5.485 -0.358 1.00 0.00 O ATOM 783 CB SER A 52 -2.264 -6.392 -3.163 1.00 0.00 C ATOM 784 OG SER A 52 -2.286 -6.091 -4.553 1.00 0.00 O ATOM 0 H SER A 52 -1.507 -4.051 -2.751 1.00 0.00 H new ATOM 0 HA SER A 52 -4.113 -5.446 -2.713 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.236 -6.403 -2.802 1.00 0.00 H new ATOM 0 HB3 SER A 52 -2.672 -7.388 -2.993 1.00 0.00 H new ATOM 0 HG SER A 52 -3.053 -6.534 -4.972 1.00 0.00 H new ATOM 790 N VAL A 53 -4.086 -5.815 -0.206 1.00 0.00 N ATOM 791 CA VAL A 53 -4.061 -6.065 1.231 1.00 0.00 C ATOM 792 C VAL A 53 -4.983 -7.231 1.570 1.00 0.00 C ATOM 793 O VAL A 53 -5.866 -7.557 0.777 1.00 0.00 O ATOM 794 CB VAL A 53 -4.331 -4.802 2.059 1.00 0.00 C ATOM 795 CG1 VAL A 53 -3.977 -3.497 1.362 1.00 0.00 C ATOM 796 CG2 VAL A 53 -5.730 -4.679 2.585 1.00 0.00 C ATOM 0 H VAL A 53 -5.017 -5.841 -0.622 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.049 -6.356 1.514 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.652 -4.953 2.898 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.201 -2.659 2.022 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.915 -3.492 1.117 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.561 -3.404 0.446 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -5.824 -3.756 3.157 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.432 -4.663 1.751 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.952 -5.529 3.230 1.00 0.00 H new ATOM 806 N LEU A 54 -4.807 -7.866 2.726 1.00 0.00 N ATOM 807 CA LEU A 54 -5.643 -8.983 3.155 1.00 0.00 C ATOM 808 C LEU A 54 -6.460 -8.552 4.363 1.00 0.00 C ATOM 809 O LEU A 54 -5.999 -7.744 5.171 1.00 0.00 O ATOM 810 CB LEU A 54 -4.779 -10.217 3.457 1.00 0.00 C ATOM 811 CG LEU A 54 -5.568 -11.432 3.990 1.00 0.00 C ATOM 812 CD1 LEU A 54 -6.570 -11.968 2.962 1.00 0.00 C ATOM 813 CD2 LEU A 54 -4.618 -12.559 4.366 1.00 0.00 C ATOM 0 H LEU A 54 -4.077 -7.619 3.394 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.329 -9.264 2.356 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.255 -10.510 2.547 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.019 -9.943 4.189 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.117 -11.086 4.866 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -7.101 -12.822 3.382 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.285 -11.185 2.708 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.038 -12.278 2.063 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.190 -13.408 4.740 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.049 -12.864 3.488 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.933 -12.214 5.140 1.00 0.00 H new ATOM 825 N TRP A 55 -7.689 -9.062 4.475 1.00 0.00 N ATOM 826 CA TRP A 55 -8.548 -8.745 5.601 1.00 0.00 C ATOM 827 C TRP A 55 -9.410 -9.947 5.984 1.00 0.00 C ATOM 828 O TRP A 55 -8.928 -10.842 6.670 1.00 0.00 O ATOM 829 CB TRP A 55 -9.320 -7.464 5.299 1.00 0.00 C ATOM 830 CG TRP A 55 -9.996 -6.847 6.476 1.00 0.00 C ATOM 831 CD1 TRP A 55 -11.304 -6.947 6.802 1.00 0.00 C ATOM 832 CD2 TRP A 55 -9.407 -5.947 7.455 1.00 0.00 C ATOM 833 NE1 TRP A 55 -11.564 -6.148 7.893 1.00 0.00 N ATOM 834 CE2 TRP A 55 -10.437 -5.488 8.325 1.00 0.00 C ATOM 835 CE3 TRP A 55 -8.114 -5.419 7.643 1.00 0.00 C ATOM 836 CZ2 TRP A 55 -10.199 -4.537 9.327 1.00 0.00 C ATOM 837 CZ3 TRP A 55 -7.867 -4.462 8.640 1.00 0.00 C ATOM 838 CH2 TRP A 55 -8.904 -4.021 9.481 1.00 0.00 C ATOM 0 H TRP A 55 -8.105 -9.697 3.794 1.00 0.00 H new ATOM 0 HA TRP A 55 -7.957 -8.541 6.494 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -8.632 -6.735 4.870 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -10.071 -7.680 4.539 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -12.031 -7.558 6.288 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -12.482 -6.057 8.328 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -7.304 -5.754 7.013 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -11.001 -4.207 9.971 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -6.872 -4.061 8.762 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -8.703 -3.285 10.245 1.00 0.00 H new ATOM 849 N ASP A 56 -10.657 -9.982 5.520 1.00 0.00 N ATOM 850 CA ASP A 56 -11.678 -10.998 5.750 1.00 0.00 C ATOM 851 C ASP A 56 -11.405 -12.232 4.881 1.00 0.00 C ATOM 852 O ASP A 56 -12.139 -12.513 3.930 1.00 0.00 O ATOM 853 CB ASP A 56 -13.029 -10.316 5.466 1.00 0.00 C ATOM 854 CG ASP A 56 -14.252 -11.228 5.526 1.00 0.00 C ATOM 855 OD1 ASP A 56 -14.352 -12.076 6.431 1.00 0.00 O ATOM 856 OD2 ASP A 56 -15.157 -11.038 4.672 1.00 0.00 O ATOM 0 H ASP A 56 -11.008 -9.234 4.921 1.00 0.00 H new ATOM 0 HA ASP A 56 -11.679 -11.375 6.773 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -13.165 -9.507 6.183 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -12.985 -9.861 4.477 1.00 0.00 H new ATOM 861 N GLY A 57 -10.274 -12.903 5.142 1.00 0.00 N ATOM 862 CA GLY A 57 -9.782 -14.114 4.483 1.00 0.00 C ATOM 863 C GLY A 57 -9.711 -14.071 2.956 1.00 0.00 C ATOM 864 O GLY A 57 -9.505 -15.111 2.327 1.00 0.00 O ATOM 0 H GLY A 57 -9.636 -12.588 5.872 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.785 -14.331 4.866 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -10.423 -14.946 4.773 1.00 0.00 H new ATOM 868 N LEU A 58 -9.848 -12.902 2.328 1.00 0.00 N ATOM 869 CA LEU A 58 -9.829 -12.730 0.884 1.00 0.00 C ATOM 870 C LEU A 58 -9.092 -11.426 0.573 1.00 0.00 C ATOM 871 O LEU A 58 -9.546 -10.376 1.035 1.00 0.00 O ATOM 872 CB LEU A 58 -11.298 -12.706 0.410 1.00 0.00 C ATOM 873 CG LEU A 58 -11.549 -13.010 -1.076 1.00 0.00 C ATOM 874 CD1 LEU A 58 -10.957 -11.952 -2.001 1.00 0.00 C ATOM 875 CD2 LEU A 58 -11.044 -14.393 -1.495 1.00 0.00 C ATOM 0 H LEU A 58 -9.979 -12.024 2.831 1.00 0.00 H new ATOM 0 HA LEU A 58 -9.310 -13.536 0.365 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -11.859 -13.427 1.004 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -11.711 -11.721 0.630 1.00 0.00 H new ATOM 0 HG LEU A 58 -12.634 -12.995 -1.182 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -11.164 -12.218 -3.038 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -11.404 -10.983 -1.779 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -9.879 -11.898 -1.849 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -11.249 -14.550 -2.554 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -9.970 -14.456 -1.320 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -11.553 -15.159 -0.909 1.00 0.00 H new ATOM 887 N PRO A 59 -7.977 -11.436 -0.175 1.00 0.00 N ATOM 888 CA PRO A 59 -7.246 -10.217 -0.474 1.00 0.00 C ATOM 889 C PRO A 59 -8.066 -9.216 -1.299 1.00 0.00 C ATOM 890 O PRO A 59 -8.767 -9.546 -2.263 1.00 0.00 O ATOM 891 CB PRO A 59 -5.931 -10.650 -1.132 1.00 0.00 C ATOM 892 CG PRO A 59 -6.202 -12.060 -1.653 1.00 0.00 C ATOM 893 CD PRO A 59 -7.328 -12.593 -0.771 1.00 0.00 C ATOM 0 HA PRO A 59 -7.031 -9.656 0.435 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -5.653 -9.976 -1.942 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -5.109 -10.644 -0.416 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -6.496 -12.044 -2.703 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -5.313 -12.686 -1.580 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -8.038 -13.174 -1.359 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -6.935 -13.256 -0.000 1.00 0.00 H new ATOM 901 N ARG A 60 -8.006 -7.954 -0.885 1.00 0.00 N ATOM 902 CA ARG A 60 -8.648 -6.796 -1.465 1.00 0.00 C ATOM 903 C ARG A 60 -7.575 -5.993 -2.160 1.00 0.00 C ATOM 904 O ARG A 60 -6.614 -5.554 -1.533 1.00 0.00 O ATOM 905 CB ARG A 60 -9.299 -6.015 -0.331 1.00 0.00 C ATOM 906 CG ARG A 60 -10.323 -6.857 0.431 1.00 0.00 C ATOM 907 CD ARG A 60 -11.593 -7.133 -0.393 1.00 0.00 C ATOM 908 NE ARG A 60 -11.373 -8.191 -1.387 1.00 0.00 N ATOM 909 CZ ARG A 60 -12.099 -8.410 -2.486 1.00 0.00 C ATOM 910 NH1 ARG A 60 -13.296 -7.858 -2.649 1.00 0.00 N ATOM 911 NH2 ARG A 60 -11.596 -9.207 -3.419 1.00 0.00 N ATOM 0 H ARG A 60 -7.457 -7.702 -0.063 1.00 0.00 H new ATOM 0 HA ARG A 60 -9.419 -7.054 -2.191 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -8.530 -5.668 0.359 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -9.788 -5.128 -0.735 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -9.867 -7.805 0.718 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -10.597 -6.343 1.353 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -12.405 -7.423 0.274 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -11.906 -6.219 -0.897 1.00 0.00 H new ATOM 0 HE ARG A 60 -10.588 -8.821 -1.222 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -13.680 -7.251 -1.925 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -13.831 -8.041 -3.498 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -10.679 -9.633 -3.286 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -12.126 -9.394 -4.270 1.00 0.00 H new ATOM 925 N HIS A 61 -7.735 -5.814 -3.462 1.00 0.00 N ATOM 926 CA HIS A 61 -6.786 -5.091 -4.281 1.00 0.00 C ATOM 927 C HIS A 61 -7.340 -3.720 -4.648 1.00 0.00 C ATOM 928 O HIS A 61 -8.050 -3.572 -5.653 1.00 0.00 O ATOM 929 CB HIS A 61 -6.418 -5.933 -5.499 1.00 0.00 C ATOM 930 CG HIS A 61 -5.941 -7.333 -5.181 1.00 0.00 C ATOM 931 ND1 HIS A 61 -4.664 -7.694 -4.821 1.00 0.00 N ATOM 932 CD2 HIS A 61 -6.700 -8.474 -5.202 1.00 0.00 C ATOM 933 CE1 HIS A 61 -4.660 -9.020 -4.604 1.00 0.00 C ATOM 934 NE2 HIS A 61 -5.873 -9.543 -4.843 1.00 0.00 N ATOM 0 H HIS A 61 -8.537 -6.172 -3.981 1.00 0.00 H new ATOM 0 HA HIS A 61 -5.867 -4.912 -3.722 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -7.287 -6.000 -6.153 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -5.638 -5.417 -6.058 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -7.749 -8.536 -5.451 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -3.799 -9.587 -4.282 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -6.139 -10.525 -4.776 1.00 0.00 H new ATOM 942 N PHE A 62 -7.066 -2.726 -3.811 1.00 0.00 N ATOM 943 CA PHE A 62 -7.505 -1.359 -4.008 1.00 0.00 C ATOM 944 C PHE A 62 -6.663 -0.665 -5.073 1.00 0.00 C ATOM 945 O PHE A 62 -5.474 -0.411 -4.862 1.00 0.00 O ATOM 946 CB PHE A 62 -7.412 -0.597 -2.685 1.00 0.00 C ATOM 947 CG PHE A 62 -8.259 -1.212 -1.598 1.00 0.00 C ATOM 948 CD1 PHE A 62 -7.741 -2.259 -0.813 1.00 0.00 C ATOM 949 CD2 PHE A 62 -9.574 -0.759 -1.395 1.00 0.00 C ATOM 950 CE1 PHE A 62 -8.519 -2.805 0.219 1.00 0.00 C ATOM 951 CE2 PHE A 62 -10.363 -1.337 -0.390 1.00 0.00 C ATOM 952 CZ PHE A 62 -9.833 -2.358 0.420 1.00 0.00 C ATOM 0 H PHE A 62 -6.520 -2.856 -2.959 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.540 -1.370 -4.350 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -6.372 -0.570 -2.358 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -7.724 0.436 -2.842 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -6.749 -2.641 -1.004 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -9.976 0.032 -2.011 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -8.106 -3.570 0.859 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -11.377 -0.998 -0.238 1.00 0.00 H new ATOM 0 HZ PHE A 62 -10.439 -2.798 1.198 1.00 0.00 H new ATOM 962 N ILE A 63 -7.249 -0.430 -6.248 1.00 0.00 N ATOM 963 CA ILE A 63 -6.562 0.281 -7.316 1.00 0.00 C ATOM 964 C ILE A 63 -6.454 1.702 -6.769 1.00 0.00 C ATOM 965 O ILE A 63 -7.476 2.281 -6.378 1.00 0.00 O ATOM 966 CB ILE A 63 -7.342 0.239 -8.649 1.00 0.00 C ATOM 967 CG1 ILE A 63 -7.544 -1.210 -9.139 1.00 0.00 C ATOM 968 CG2 ILE A 63 -6.601 1.052 -9.726 1.00 0.00 C ATOM 969 CD1 ILE A 63 -8.912 -1.789 -8.761 1.00 0.00 C ATOM 0 H ILE A 63 -8.198 -0.724 -6.480 1.00 0.00 H new ATOM 0 HA ILE A 63 -5.596 -0.161 -7.560 1.00 0.00 H new ATOM 0 HB ILE A 63 -8.323 0.679 -8.472 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -7.431 -1.240 -10.223 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -6.761 -1.841 -8.719 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -7.161 1.014 -10.660 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -6.508 2.088 -9.400 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.608 0.630 -9.881 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -8.991 -2.810 -9.135 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -9.019 -1.790 -7.676 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -9.700 -1.179 -9.203 1.00 0.00 H new ATOM 981 N ILE A 64 -5.233 2.208 -6.642 1.00 0.00 N ATOM 982 CA ILE A 64 -4.996 3.544 -6.133 1.00 0.00 C ATOM 983 C ILE A 64 -5.594 4.494 -7.174 1.00 0.00 C ATOM 984 O ILE A 64 -5.355 4.337 -8.372 1.00 0.00 O ATOM 985 CB ILE A 64 -3.489 3.725 -5.839 1.00 0.00 C ATOM 986 CG1 ILE A 64 -3.060 2.706 -4.749 1.00 0.00 C ATOM 987 CG2 ILE A 64 -3.223 5.162 -5.371 1.00 0.00 C ATOM 988 CD1 ILE A 64 -1.564 2.700 -4.420 1.00 0.00 C ATOM 0 H ILE A 64 -4.384 1.701 -6.890 1.00 0.00 H new ATOM 0 HA ILE A 64 -5.474 3.754 -5.176 1.00 0.00 H new ATOM 0 HB ILE A 64 -2.908 3.545 -6.743 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.616 2.918 -3.836 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.349 1.706 -5.074 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.160 5.287 -5.165 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.525 5.861 -6.151 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.794 5.361 -4.464 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.364 1.956 -3.649 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.995 2.455 -5.317 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.267 3.685 -4.060 1.00 0.00 H new ATOM 1000 N GLN A 65 -6.435 5.425 -6.728 1.00 0.00 N ATOM 1001 CA GLN A 65 -7.097 6.407 -7.575 1.00 0.00 C ATOM 1002 C GLN A 65 -6.339 7.719 -7.437 1.00 0.00 C ATOM 1003 O GLN A 65 -6.001 8.104 -6.316 1.00 0.00 O ATOM 1004 CB GLN A 65 -8.551 6.584 -7.107 1.00 0.00 C ATOM 1005 CG GLN A 65 -9.436 5.353 -7.328 1.00 0.00 C ATOM 1006 CD GLN A 65 -9.889 5.155 -8.776 1.00 0.00 C ATOM 1007 OE1 GLN A 65 -9.285 5.618 -9.738 1.00 0.00 O ATOM 1008 NE2 GLN A 65 -10.969 4.421 -8.971 1.00 0.00 N ATOM 0 H GLN A 65 -6.679 5.517 -5.742 1.00 0.00 H new ATOM 0 HA GLN A 65 -7.105 6.084 -8.616 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -8.552 6.832 -6.046 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -8.990 7.432 -7.633 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -8.891 4.466 -7.006 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -10.317 5.435 -6.692 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -11.474 4.034 -8.173 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -11.299 4.241 -9.919 1.00 0.00 H new ATOM 1017 N SER A 66 -6.087 8.392 -8.557 1.00 0.00 N ATOM 1018 CA SER A 66 -5.387 9.662 -8.637 1.00 0.00 C ATOM 1019 C SER A 66 -6.370 10.746 -9.061 1.00 0.00 C ATOM 1020 O SER A 66 -7.198 10.543 -9.959 1.00 0.00 O ATOM 1021 CB SER A 66 -4.191 9.557 -9.591 1.00 0.00 C ATOM 1022 OG SER A 66 -4.559 9.372 -10.946 1.00 0.00 O ATOM 0 H SER A 66 -6.380 8.048 -9.471 1.00 0.00 H new ATOM 0 HA SER A 66 -4.985 9.930 -7.660 1.00 0.00 H new ATOM 0 HB2 SER A 66 -3.590 10.462 -9.507 1.00 0.00 H new ATOM 0 HB3 SER A 66 -3.560 8.725 -9.278 1.00 0.00 H new ATOM 0 HG SER A 66 -3.752 9.315 -11.499 1.00 0.00 H new ATOM 1028 N LEU A 67 -6.302 11.894 -8.403 1.00 0.00 N ATOM 1029 CA LEU A 67 -7.133 13.055 -8.654 1.00 0.00 C ATOM 1030 C LEU A 67 -6.369 14.266 -8.157 1.00 0.00 C ATOM 1031 O LEU A 67 -5.750 14.215 -7.099 1.00 0.00 O ATOM 1032 CB LEU A 67 -8.509 12.911 -7.982 1.00 0.00 C ATOM 1033 CG LEU A 67 -8.482 12.779 -6.442 1.00 0.00 C ATOM 1034 CD1 LEU A 67 -8.673 14.132 -5.742 1.00 0.00 C ATOM 1035 CD2 LEU A 67 -9.593 11.817 -6.001 1.00 0.00 C ATOM 0 H LEU A 67 -5.635 12.045 -7.646 1.00 0.00 H new ATOM 0 HA LEU A 67 -7.340 13.163 -9.719 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -9.116 13.777 -8.245 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -9.007 12.035 -8.397 1.00 0.00 H new ATOM 0 HG LEU A 67 -7.503 12.395 -6.156 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -8.647 13.990 -4.662 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -7.873 14.811 -6.038 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -9.635 14.557 -6.029 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -9.580 11.719 -4.915 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -10.560 12.208 -6.318 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -9.430 10.840 -6.455 1.00 0.00 H new ATOM 1047 N ASP A 68 -6.418 15.351 -8.919 1.00 0.00 N ATOM 1048 CA ASP A 68 -5.764 16.625 -8.630 1.00 0.00 C ATOM 1049 C ASP A 68 -4.313 16.464 -8.137 1.00 0.00 C ATOM 1050 O ASP A 68 -3.878 17.145 -7.207 1.00 0.00 O ATOM 1051 CB ASP A 68 -6.650 17.475 -7.702 1.00 0.00 C ATOM 1052 CG ASP A 68 -6.379 18.975 -7.847 1.00 0.00 C ATOM 1053 OD1 ASP A 68 -5.378 19.391 -8.482 1.00 0.00 O ATOM 1054 OD2 ASP A 68 -7.217 19.789 -7.405 1.00 0.00 O ATOM 0 H ASP A 68 -6.938 15.370 -9.796 1.00 0.00 H new ATOM 0 HA ASP A 68 -5.659 17.173 -9.566 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -7.699 17.275 -7.923 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.479 17.176 -6.668 1.00 0.00 H new ATOM 1059 N ASN A 69 -3.556 15.562 -8.782 1.00 0.00 N ATOM 1060 CA ASN A 69 -2.150 15.201 -8.545 1.00 0.00 C ATOM 1061 C ASN A 69 -1.912 14.506 -7.198 1.00 0.00 C ATOM 1062 O ASN A 69 -0.776 14.387 -6.743 1.00 0.00 O ATOM 1063 CB ASN A 69 -1.229 16.410 -8.795 1.00 0.00 C ATOM 1064 CG ASN A 69 0.252 16.080 -8.679 1.00 0.00 C ATOM 1065 OD1 ASN A 69 0.805 15.303 -9.457 1.00 0.00 O ATOM 1066 ND2 ASN A 69 0.974 16.737 -7.784 1.00 0.00 N ATOM 0 H ASN A 69 -3.948 15.019 -9.551 1.00 0.00 H new ATOM 0 HA ASN A 69 -1.882 14.439 -9.277 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -1.427 16.808 -9.790 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -1.475 17.197 -8.082 1.00 0.00 H new ATOM 0 HD21 ASN A 69 1.984 16.598 -7.742 1.00 0.00 H new ATOM 0 HD22 ASN A 69 0.520 17.382 -7.137 1.00 0.00 H new ATOM 1073 N LEU A 70 -2.973 14.052 -6.538 1.00 0.00 N ATOM 1074 CA LEU A 70 -2.942 13.366 -5.258 1.00 0.00 C ATOM 1075 C LEU A 70 -3.579 11.993 -5.430 1.00 0.00 C ATOM 1076 O LEU A 70 -4.250 11.744 -6.430 1.00 0.00 O ATOM 1077 CB LEU A 70 -3.736 14.177 -4.219 1.00 0.00 C ATOM 1078 CG LEU A 70 -2.913 15.248 -3.490 1.00 0.00 C ATOM 1079 CD1 LEU A 70 -2.533 16.482 -4.309 1.00 0.00 C ATOM 1080 CD2 LEU A 70 -3.666 15.707 -2.252 1.00 0.00 C ATOM 0 H LEU A 70 -3.920 14.159 -6.901 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.913 13.260 -4.915 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.577 14.659 -4.717 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.153 13.491 -3.481 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.971 14.753 -3.254 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.954 17.166 -3.689 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.936 16.178 -5.169 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.438 16.982 -4.654 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -3.083 16.468 -1.733 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.629 16.125 -2.546 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.827 14.858 -1.588 1.00 0.00 H new ATOM 1092 N TYR A 71 -3.418 11.118 -4.439 1.00 0.00 N ATOM 1093 CA TYR A 71 -3.984 9.777 -4.446 1.00 0.00 C ATOM 1094 C TYR A 71 -4.804 9.553 -3.189 1.00 0.00 C ATOM 1095 O TYR A 71 -4.331 9.894 -2.101 1.00 0.00 O ATOM 1096 CB TYR A 71 -2.895 8.709 -4.468 1.00 0.00 C ATOM 1097 CG TYR A 71 -1.906 8.836 -5.592 1.00 0.00 C ATOM 1098 CD1 TYR A 71 -2.209 8.368 -6.882 1.00 0.00 C ATOM 1099 CD2 TYR A 71 -0.666 9.427 -5.326 1.00 0.00 C ATOM 1100 CE1 TYR A 71 -1.283 8.541 -7.925 1.00 0.00 C ATOM 1101 CE2 TYR A 71 0.238 9.632 -6.367 1.00 0.00 C ATOM 1102 CZ TYR A 71 -0.081 9.240 -7.686 1.00 0.00 C ATOM 1103 OH TYR A 71 0.765 9.519 -8.716 1.00 0.00 O ATOM 0 H TYR A 71 -2.882 11.327 -3.597 1.00 0.00 H new ATOM 0 HA TYR A 71 -4.599 9.697 -5.342 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -2.354 8.743 -3.522 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -3.369 7.729 -4.529 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -3.152 7.876 -7.072 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -0.411 9.723 -4.319 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -1.491 8.140 -8.906 1.00 0.00 H new ATOM 0 HE2 TYR A 71 1.192 10.095 -6.163 1.00 0.00 H new ATOM 0 HH TYR A 71 1.544 10.006 -8.376 1.00 0.00 H new ATOM 1113 N ARG A 72 -6.006 8.987 -3.332 1.00 0.00 N ATOM 1114 CA ARG A 72 -6.901 8.664 -2.224 1.00 0.00 C ATOM 1115 C ARG A 72 -8.012 7.743 -2.699 1.00 0.00 C ATOM 1116 O ARG A 72 -8.400 7.791 -3.867 1.00 0.00 O ATOM 1117 CB ARG A 72 -7.521 9.925 -1.608 1.00 0.00 C ATOM 1118 CG ARG A 72 -8.293 10.823 -2.585 1.00 0.00 C ATOM 1119 CD ARG A 72 -9.099 11.815 -1.748 1.00 0.00 C ATOM 1120 NE ARG A 72 -9.644 12.953 -2.498 1.00 0.00 N ATOM 1121 CZ ARG A 72 -10.255 14.001 -1.920 1.00 0.00 C ATOM 1122 NH1 ARG A 72 -10.467 14.013 -0.609 1.00 0.00 N ATOM 1123 NH2 ARG A 72 -10.661 15.027 -2.654 1.00 0.00 N ATOM 0 H ARG A 72 -6.390 8.736 -4.243 1.00 0.00 H new ATOM 0 HA ARG A 72 -6.305 8.166 -1.460 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -8.196 9.624 -0.807 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.726 10.514 -1.150 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -7.606 11.349 -3.249 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -8.953 10.227 -3.216 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -9.923 11.283 -1.273 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -8.463 12.196 -0.949 1.00 0.00 H new ATOM 0 HE ARG A 72 -9.554 12.948 -3.514 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -10.166 13.225 -0.036 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -10.931 14.811 -0.175 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -10.510 15.024 -3.663 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -11.124 15.820 -2.210 1.00 0.00 H new ATOM 1137 N LEU A 73 -8.544 6.917 -1.806 1.00 0.00 N ATOM 1138 CA LEU A 73 -9.643 5.993 -2.078 1.00 0.00 C ATOM 1139 C LEU A 73 -10.884 6.643 -1.486 1.00 0.00 C ATOM 1140 O LEU A 73 -11.883 6.793 -2.193 1.00 0.00 O ATOM 1141 CB LEU A 73 -9.428 4.596 -1.456 1.00 0.00 C ATOM 1142 CG LEU A 73 -8.817 3.522 -2.380 1.00 0.00 C ATOM 1143 CD1 LEU A 73 -9.834 3.026 -3.413 1.00 0.00 C ATOM 1144 CD2 LEU A 73 -7.554 3.968 -3.121 1.00 0.00 C ATOM 0 H LEU A 73 -8.214 6.869 -0.842 1.00 0.00 H new ATOM 0 HA LEU A 73 -9.726 5.823 -3.151 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -8.782 4.705 -0.585 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -10.390 4.230 -1.096 1.00 0.00 H new ATOM 0 HG LEU A 73 -8.533 2.717 -1.702 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -9.370 2.271 -4.047 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -10.692 2.592 -2.900 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -10.165 3.863 -4.028 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -7.192 3.152 -3.747 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -7.784 4.831 -3.746 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -6.785 4.239 -2.398 1.00 0.00 H new ATOM 1156 N GLU A 74 -10.821 7.017 -0.207 1.00 0.00 N ATOM 1157 CA GLU A 74 -11.879 7.649 0.565 1.00 0.00 C ATOM 1158 C GLU A 74 -11.180 8.334 1.748 1.00 0.00 C ATOM 1159 O GLU A 74 -10.538 7.658 2.555 1.00 0.00 O ATOM 1160 CB GLU A 74 -12.890 6.568 0.998 1.00 0.00 C ATOM 1161 CG GLU A 74 -14.334 7.067 1.001 1.00 0.00 C ATOM 1162 CD GLU A 74 -14.647 7.974 2.181 1.00 0.00 C ATOM 1163 OE1 GLU A 74 -14.749 7.469 3.320 1.00 0.00 O ATOM 1164 OE2 GLU A 74 -14.867 9.181 1.944 1.00 0.00 O ATOM 0 H GLU A 74 -9.976 6.876 0.346 1.00 0.00 H new ATOM 0 HA GLU A 74 -12.447 8.392 0.004 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -12.808 5.713 0.327 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -12.631 6.216 1.996 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -14.528 7.606 0.074 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -15.008 6.211 1.019 1.00 0.00 H new ATOM 1171 N GLY A 75 -11.263 9.661 1.825 1.00 0.00 N ATOM 1172 CA GLY A 75 -10.650 10.497 2.851 1.00 0.00 C ATOM 1173 C GLY A 75 -9.741 11.510 2.163 1.00 0.00 C ATOM 1174 O GLY A 75 -9.969 11.819 0.997 1.00 0.00 O ATOM 0 H GLY A 75 -11.785 10.207 1.140 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -11.417 11.009 3.432 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -10.077 9.885 3.548 1.00 0.00 H new ATOM 1178 N GLU A 76 -8.777 12.110 2.858 1.00 0.00 N ATOM 1179 CA GLU A 76 -7.849 13.072 2.258 1.00 0.00 C ATOM 1180 C GLU A 76 -6.831 12.313 1.394 1.00 0.00 C ATOM 1181 O GLU A 76 -6.790 11.080 1.416 1.00 0.00 O ATOM 1182 CB GLU A 76 -7.139 13.900 3.339 1.00 0.00 C ATOM 1183 CG GLU A 76 -8.143 14.725 4.156 1.00 0.00 C ATOM 1184 CD GLU A 76 -7.442 15.682 5.115 1.00 0.00 C ATOM 1185 OE1 GLU A 76 -6.894 16.709 4.645 1.00 0.00 O ATOM 1186 OE2 GLU A 76 -7.456 15.453 6.343 1.00 0.00 O ATOM 0 H GLU A 76 -8.615 11.945 3.851 1.00 0.00 H new ATOM 0 HA GLU A 76 -8.408 13.767 1.632 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.584 13.237 4.003 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.412 14.565 2.872 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.783 15.292 3.480 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.791 14.054 4.721 1.00 0.00 H new ATOM 1193 N GLY A 77 -6.010 13.023 0.619 1.00 0.00 N ATOM 1194 CA GLY A 77 -5.008 12.411 -0.238 1.00 0.00 C ATOM 1195 C GLY A 77 -3.657 13.079 -0.078 1.00 0.00 C ATOM 1196 O GLY A 77 -3.518 14.088 0.621 1.00 0.00 O ATOM 0 H GLY A 77 -6.026 14.042 0.572 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -4.922 11.351 0.001 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -5.327 12.478 -1.278 1.00 0.00 H new ATOM 1200 N PHE A 78 -2.659 12.527 -0.767 1.00 0.00 N ATOM 1201 CA PHE A 78 -1.293 13.034 -0.739 1.00 0.00 C ATOM 1202 C PHE A 78 -0.666 12.969 -2.130 1.00 0.00 C ATOM 1203 O PHE A 78 -1.076 12.118 -2.923 1.00 0.00 O ATOM 1204 CB PHE A 78 -0.465 12.215 0.240 1.00 0.00 C ATOM 1205 CG PHE A 78 -0.754 12.505 1.697 1.00 0.00 C ATOM 1206 CD1 PHE A 78 -1.871 11.948 2.347 1.00 0.00 C ATOM 1207 CD2 PHE A 78 0.102 13.359 2.408 1.00 0.00 C ATOM 1208 CE1 PHE A 78 -2.122 12.231 3.698 1.00 0.00 C ATOM 1209 CE2 PHE A 78 -0.142 13.628 3.760 1.00 0.00 C ATOM 1210 CZ PHE A 78 -1.252 13.069 4.413 1.00 0.00 C ATOM 0 H PHE A 78 -2.780 11.709 -1.364 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.313 14.075 -0.418 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.642 11.156 0.051 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.592 12.401 0.048 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -2.540 11.298 1.802 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.949 13.809 1.912 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -2.985 11.804 4.188 1.00 0.00 H new ATOM 0 HE2 PHE A 78 0.531 14.272 4.306 1.00 0.00 H new ATOM 0 HZ PHE A 78 -1.435 13.282 5.456 1.00 0.00 H new ATOM 1220 N PRO A 79 0.352 13.805 -2.421 1.00 0.00 N ATOM 1221 CA PRO A 79 1.015 13.861 -3.726 1.00 0.00 C ATOM 1222 C PRO A 79 1.775 12.595 -4.142 1.00 0.00 C ATOM 1223 O PRO A 79 2.197 12.477 -5.296 1.00 0.00 O ATOM 1224 CB PRO A 79 1.945 15.075 -3.652 1.00 0.00 C ATOM 1225 CG PRO A 79 2.217 15.251 -2.162 1.00 0.00 C ATOM 1226 CD PRO A 79 0.891 14.836 -1.538 1.00 0.00 C ATOM 0 HA PRO A 79 0.257 13.943 -4.505 1.00 0.00 H new ATOM 0 HB2 PRO A 79 2.867 14.904 -4.207 1.00 0.00 H new ATOM 0 HB3 PRO A 79 1.476 15.962 -4.078 1.00 0.00 H new ATOM 0 HG2 PRO A 79 3.040 14.623 -1.822 1.00 0.00 H new ATOM 0 HG3 PRO A 79 2.478 16.280 -1.915 1.00 0.00 H new ATOM 0 HD2 PRO A 79 1.035 14.452 -0.528 1.00 0.00 H new ATOM 0 HD3 PRO A 79 0.210 15.684 -1.462 1.00 0.00 H new ATOM 1234 N SER A 80 2.008 11.663 -3.222 1.00 0.00 N ATOM 1235 CA SER A 80 2.700 10.413 -3.514 1.00 0.00 C ATOM 1236 C SER A 80 1.994 9.293 -2.763 1.00 0.00 C ATOM 1237 O SER A 80 1.200 9.547 -1.857 1.00 0.00 O ATOM 1238 CB SER A 80 4.193 10.510 -3.189 1.00 0.00 C ATOM 1239 OG SER A 80 4.968 10.711 -4.354 1.00 0.00 O ATOM 0 H SER A 80 1.720 11.755 -2.248 1.00 0.00 H new ATOM 0 HA SER A 80 2.657 10.195 -4.581 1.00 0.00 H new ATOM 0 HB2 SER A 80 4.362 11.332 -2.493 1.00 0.00 H new ATOM 0 HB3 SER A 80 4.517 9.597 -2.689 1.00 0.00 H new ATOM 0 HG SER A 80 5.915 10.770 -4.110 1.00 0.00 H new ATOM 1245 N ILE A 81 2.272 8.049 -3.146 1.00 0.00 N ATOM 1246 CA ILE A 81 1.651 6.905 -2.520 1.00 0.00 C ATOM 1247 C ILE A 81 2.146 6.711 -1.074 1.00 0.00 C ATOM 1248 O ILE A 81 1.284 6.669 -0.200 1.00 0.00 O ATOM 1249 CB ILE A 81 1.772 5.659 -3.431 1.00 0.00 C ATOM 1250 CG1 ILE A 81 0.863 5.832 -4.680 1.00 0.00 C ATOM 1251 CG2 ILE A 81 1.316 4.380 -2.702 1.00 0.00 C ATOM 1252 CD1 ILE A 81 1.466 6.590 -5.848 1.00 0.00 C ATOM 0 H ILE A 81 2.928 7.816 -3.892 1.00 0.00 H new ATOM 0 HA ILE A 81 0.581 7.084 -2.413 1.00 0.00 H new ATOM 0 HB ILE A 81 2.821 5.565 -3.713 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.569 4.842 -5.029 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -0.048 6.345 -4.372 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.414 3.525 -3.371 1.00 0.00 H new ATOM 0 HG22 ILE A 81 1.936 4.223 -1.820 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.274 4.486 -2.399 1.00 0.00 H new ATOM 0 HD11 ILE A 81 0.740 6.646 -6.659 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.733 7.598 -5.529 1.00 0.00 H new ATOM 0 HD13 ILE A 81 2.359 6.071 -6.196 1.00 0.00 H new ATOM 1264 N PRO A 82 3.459 6.646 -0.758 1.00 0.00 N ATOM 1265 CA PRO A 82 3.910 6.427 0.622 1.00 0.00 C ATOM 1266 C PRO A 82 3.419 7.496 1.602 1.00 0.00 C ATOM 1267 O PRO A 82 3.144 7.209 2.764 1.00 0.00 O ATOM 1268 CB PRO A 82 5.438 6.317 0.574 1.00 0.00 C ATOM 1269 CG PRO A 82 5.837 6.906 -0.774 1.00 0.00 C ATOM 1270 CD PRO A 82 4.605 6.697 -1.655 1.00 0.00 C ATOM 0 HA PRO A 82 3.473 5.509 1.014 1.00 0.00 H new ATOM 0 HB2 PRO A 82 5.899 6.866 1.396 1.00 0.00 H new ATOM 0 HB3 PRO A 82 5.761 5.280 0.662 1.00 0.00 H new ATOM 0 HG2 PRO A 82 6.090 7.963 -0.688 1.00 0.00 H new ATOM 0 HG3 PRO A 82 6.711 6.402 -1.186 1.00 0.00 H new ATOM 0 HD2 PRO A 82 4.499 7.510 -2.373 1.00 0.00 H new ATOM 0 HD3 PRO A 82 4.690 5.774 -2.228 1.00 0.00 H new ATOM 1278 N LEU A 83 3.252 8.719 1.107 1.00 0.00 N ATOM 1279 CA LEU A 83 2.777 9.872 1.856 1.00 0.00 C ATOM 1280 C LEU A 83 1.390 9.550 2.437 1.00 0.00 C ATOM 1281 O LEU A 83 1.098 9.875 3.586 1.00 0.00 O ATOM 1282 CB LEU A 83 2.694 11.073 0.900 1.00 0.00 C ATOM 1283 CG LEU A 83 3.981 11.737 0.372 1.00 0.00 C ATOM 1284 CD1 LEU A 83 4.503 12.787 1.335 1.00 0.00 C ATOM 1285 CD2 LEU A 83 5.136 10.790 0.029 1.00 0.00 C ATOM 0 H LEU A 83 3.453 8.940 0.132 1.00 0.00 H new ATOM 0 HA LEU A 83 3.456 10.110 2.675 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.115 10.756 0.033 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.115 11.847 1.404 1.00 0.00 H new ATOM 0 HG LEU A 83 3.653 12.182 -0.568 1.00 0.00 H new ATOM 0 HD11 LEU A 83 5.411 13.233 0.929 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.748 13.561 1.473 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.725 12.322 2.295 1.00 0.00 H new ATOM 0 HD21 LEU A 83 5.986 11.369 -0.332 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.427 10.234 0.920 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.817 10.093 -0.746 1.00 0.00 H new ATOM 1297 N LEU A 84 0.529 8.933 1.618 1.00 0.00 N ATOM 1298 CA LEU A 84 -0.825 8.537 1.983 1.00 0.00 C ATOM 1299 C LEU A 84 -0.782 7.275 2.837 1.00 0.00 C ATOM 1300 O LEU A 84 -1.427 7.245 3.875 1.00 0.00 O ATOM 1301 CB LEU A 84 -1.655 8.357 0.699 1.00 0.00 C ATOM 1302 CG LEU A 84 -3.118 7.891 0.825 1.00 0.00 C ATOM 1303 CD1 LEU A 84 -3.246 6.382 1.031 1.00 0.00 C ATOM 1304 CD2 LEU A 84 -3.938 8.675 1.853 1.00 0.00 C ATOM 0 H LEU A 84 0.768 8.691 0.656 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.305 9.309 2.584 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.656 9.310 0.169 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.133 7.640 0.065 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.560 8.122 -0.144 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -4.299 6.114 1.113 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.804 5.860 0.182 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.726 6.094 1.945 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.956 8.285 1.880 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.483 8.570 2.838 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.960 9.728 1.574 1.00 0.00 H new ATOM 1316 N ILE A 85 -0.051 6.234 2.426 1.00 0.00 N ATOM 1317 CA ILE A 85 0.061 4.981 3.173 1.00 0.00 C ATOM 1318 C ILE A 85 0.408 5.291 4.633 1.00 0.00 C ATOM 1319 O ILE A 85 -0.303 4.841 5.528 1.00 0.00 O ATOM 1320 CB ILE A 85 1.124 4.078 2.495 1.00 0.00 C ATOM 1321 CG1 ILE A 85 0.751 3.624 1.069 1.00 0.00 C ATOM 1322 CG2 ILE A 85 1.541 2.853 3.323 1.00 0.00 C ATOM 1323 CD1 ILE A 85 -0.505 2.769 0.969 1.00 0.00 C ATOM 0 H ILE A 85 0.484 6.239 1.557 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.886 4.441 3.167 1.00 0.00 H new ATOM 0 HB ILE A 85 1.983 4.745 2.427 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.620 4.509 0.446 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.588 3.063 0.653 1.00 0.00 H new ATOM 0 HG21 ILE A 85 2.287 2.279 2.773 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.964 3.182 4.272 1.00 0.00 H new ATOM 0 HG23 ILE A 85 0.669 2.228 3.512 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -0.681 2.502 -0.073 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -0.376 1.862 1.559 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.359 3.330 1.349 1.00 0.00 H new ATOM 1335 N ASP A 86 1.447 6.094 4.879 1.00 0.00 N ATOM 1336 CA ASP A 86 1.877 6.468 6.225 1.00 0.00 C ATOM 1337 C ASP A 86 0.738 7.117 7.014 1.00 0.00 C ATOM 1338 O ASP A 86 0.603 6.857 8.213 1.00 0.00 O ATOM 1339 CB ASP A 86 3.063 7.423 6.145 1.00 0.00 C ATOM 1340 CG ASP A 86 3.476 7.899 7.536 1.00 0.00 C ATOM 1341 OD1 ASP A 86 4.156 7.128 8.257 1.00 0.00 O ATOM 1342 OD2 ASP A 86 3.125 9.034 7.923 1.00 0.00 O ATOM 0 H ASP A 86 2.018 6.506 4.140 1.00 0.00 H new ATOM 0 HA ASP A 86 2.175 5.559 6.748 1.00 0.00 H new ATOM 0 HB2 ASP A 86 3.904 6.925 5.662 1.00 0.00 H new ATOM 0 HB3 ASP A 86 2.803 8.281 5.525 1.00 0.00 H new ATOM 1347 N HIS A 87 -0.079 7.948 6.356 1.00 0.00 N ATOM 1348 CA HIS A 87 -1.210 8.610 6.984 1.00 0.00 C ATOM 1349 C HIS A 87 -2.192 7.547 7.478 1.00 0.00 C ATOM 1350 O HIS A 87 -2.615 7.610 8.630 1.00 0.00 O ATOM 1351 CB HIS A 87 -1.856 9.612 6.016 1.00 0.00 C ATOM 1352 CG HIS A 87 -3.040 10.363 6.566 1.00 0.00 C ATOM 1353 ND1 HIS A 87 -2.991 11.564 7.231 1.00 0.00 N ATOM 1354 CD2 HIS A 87 -4.361 10.071 6.338 1.00 0.00 C ATOM 1355 CE1 HIS A 87 -4.249 11.998 7.383 1.00 0.00 C ATOM 1356 NE2 HIS A 87 -5.123 11.123 6.861 1.00 0.00 N ATOM 0 H HIS A 87 0.033 8.176 5.368 1.00 0.00 H new ATOM 0 HA HIS A 87 -0.879 9.190 7.845 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -1.100 10.334 5.707 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -2.170 9.076 5.120 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -4.744 9.190 5.845 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -4.523 12.927 7.861 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -6.139 11.208 6.848 1.00 0.00 H new ATOM 1364 N LEU A 88 -2.552 6.549 6.661 1.00 0.00 N ATOM 1365 CA LEU A 88 -3.484 5.489 7.071 1.00 0.00 C ATOM 1366 C LEU A 88 -2.882 4.657 8.185 1.00 0.00 C ATOM 1367 O LEU A 88 -3.584 4.284 9.116 1.00 0.00 O ATOM 1368 CB LEU A 88 -3.864 4.521 5.939 1.00 0.00 C ATOM 1369 CG LEU A 88 -5.002 5.049 5.059 1.00 0.00 C ATOM 1370 CD1 LEU A 88 -4.552 6.291 4.312 1.00 0.00 C ATOM 1371 CD2 LEU A 88 -5.428 3.963 4.073 1.00 0.00 C ATOM 0 H LEU A 88 -2.209 6.453 5.705 1.00 0.00 H new ATOM 0 HA LEU A 88 -4.384 6.014 7.392 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -2.988 4.335 5.318 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -4.159 3.564 6.370 1.00 0.00 H new ATOM 0 HG LEU A 88 -5.851 5.314 5.689 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -5.369 6.657 3.690 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.266 7.062 5.027 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.697 6.047 3.681 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.238 4.338 3.447 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.580 3.689 3.445 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.771 3.086 4.623 1.00 0.00 H new ATOM 1383 N LEU A 89 -1.590 4.363 8.107 1.00 0.00 N ATOM 1384 CA LEU A 89 -0.899 3.563 9.108 1.00 0.00 C ATOM 1385 C LEU A 89 -0.906 4.245 10.479 1.00 0.00 C ATOM 1386 O LEU A 89 -0.814 3.547 11.490 1.00 0.00 O ATOM 1387 CB LEU A 89 0.531 3.282 8.617 1.00 0.00 C ATOM 1388 CG LEU A 89 0.753 1.910 7.951 1.00 0.00 C ATOM 1389 CD1 LEU A 89 0.270 0.700 8.757 1.00 0.00 C ATOM 1390 CD2 LEU A 89 0.126 1.903 6.569 1.00 0.00 C ATOM 0 H LEU A 89 -0.990 4.675 7.343 1.00 0.00 H new ATOM 0 HA LEU A 89 -1.424 2.617 9.238 1.00 0.00 H new ATOM 0 HB2 LEU A 89 0.810 4.060 7.906 1.00 0.00 H new ATOM 0 HB3 LEU A 89 1.210 3.367 9.466 1.00 0.00 H new ATOM 0 HG LEU A 89 1.835 1.791 7.892 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.474 -0.214 8.199 1.00 0.00 H new ATOM 0 HD12 LEU A 89 0.794 0.666 9.712 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.802 0.785 8.934 1.00 0.00 H new ATOM 0 HD21 LEU A 89 0.285 0.931 6.102 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -0.944 2.094 6.654 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.585 2.679 5.957 1.00 0.00 H new ATOM 1402 N SER A 90 -1.055 5.571 10.529 1.00 0.00 N ATOM 1403 CA SER A 90 -1.095 6.368 11.747 1.00 0.00 C ATOM 1404 C SER A 90 -2.549 6.623 12.177 1.00 0.00 C ATOM 1405 O SER A 90 -2.920 6.358 13.325 1.00 0.00 O ATOM 1406 CB SER A 90 -0.344 7.676 11.460 1.00 0.00 C ATOM 1407 OG SER A 90 -0.256 8.513 12.594 1.00 0.00 O ATOM 0 H SER A 90 -1.155 6.137 9.686 1.00 0.00 H new ATOM 0 HA SER A 90 -0.617 5.844 12.575 1.00 0.00 H new ATOM 0 HB2 SER A 90 0.660 7.444 11.106 1.00 0.00 H new ATOM 0 HB3 SER A 90 -0.849 8.212 10.656 1.00 0.00 H new ATOM 0 HG SER A 90 0.232 9.330 12.360 1.00 0.00 H new ATOM 1413 N THR A 91 -3.393 7.115 11.268 1.00 0.00 N ATOM 1414 CA THR A 91 -4.802 7.439 11.511 1.00 0.00 C ATOM 1415 C THR A 91 -5.704 6.210 11.651 1.00 0.00 C ATOM 1416 O THR A 91 -6.767 6.290 12.266 1.00 0.00 O ATOM 1417 CB THR A 91 -5.347 8.335 10.384 1.00 0.00 C ATOM 1418 OG1 THR A 91 -5.231 7.675 9.139 1.00 0.00 O ATOM 1419 CG2 THR A 91 -4.630 9.683 10.299 1.00 0.00 C ATOM 0 H THR A 91 -3.105 7.306 10.308 1.00 0.00 H new ATOM 0 HA THR A 91 -4.823 7.963 12.467 1.00 0.00 H new ATOM 0 HB THR A 91 -6.393 8.528 10.620 1.00 0.00 H new ATOM 0 HG1 THR A 91 -4.340 7.836 8.765 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.057 10.271 9.487 1.00 0.00 H new ATOM 0 HG22 THR A 91 -4.752 10.220 11.239 1.00 0.00 H new ATOM 0 HG23 THR A 91 -3.569 9.520 10.110 1.00 0.00 H new ATOM 1427 N GLN A 92 -5.262 5.061 11.138 1.00 0.00 N ATOM 1428 CA GLN A 92 -5.968 3.787 11.141 1.00 0.00 C ATOM 1429 C GLN A 92 -7.304 3.875 10.391 1.00 0.00 C ATOM 1430 O GLN A 92 -8.271 3.193 10.737 1.00 0.00 O ATOM 1431 CB GLN A 92 -6.005 3.197 12.568 1.00 0.00 C ATOM 1432 CG GLN A 92 -4.602 2.718 12.993 1.00 0.00 C ATOM 1433 CD GLN A 92 -4.147 1.558 12.113 1.00 0.00 C ATOM 1434 OE1 GLN A 92 -4.890 0.596 11.946 1.00 0.00 O ATOM 1435 NE2 GLN A 92 -2.982 1.619 11.493 1.00 0.00 N ATOM 0 H GLN A 92 -4.351 4.995 10.685 1.00 0.00 H new ATOM 0 HA GLN A 92 -5.417 3.048 10.559 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -6.366 3.949 13.269 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -6.707 2.364 12.605 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -3.891 3.541 12.917 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -4.618 2.406 14.037 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -2.369 2.422 11.636 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -2.695 0.863 10.871 1.00 0.00 H new ATOM 1444 N GLN A 93 -7.378 4.738 9.375 1.00 0.00 N ATOM 1445 CA GLN A 93 -8.574 4.918 8.565 1.00 0.00 C ATOM 1446 C GLN A 93 -8.716 3.770 7.556 1.00 0.00 C ATOM 1447 O GLN A 93 -7.724 3.407 6.916 1.00 0.00 O ATOM 1448 CB GLN A 93 -8.474 6.226 7.771 1.00 0.00 C ATOM 1449 CG GLN A 93 -8.755 7.456 8.642 1.00 0.00 C ATOM 1450 CD GLN A 93 -8.592 8.789 7.911 1.00 0.00 C ATOM 1451 OE1 GLN A 93 -8.603 9.855 8.530 1.00 0.00 O ATOM 1452 NE2 GLN A 93 -8.476 8.783 6.595 1.00 0.00 N ATOM 0 H GLN A 93 -6.600 5.334 9.093 1.00 0.00 H new ATOM 0 HA GLN A 93 -9.434 4.938 9.235 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -7.478 6.310 7.337 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -9.181 6.201 6.942 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -9.771 7.389 9.030 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -8.084 7.441 9.501 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -8.467 7.898 6.088 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -8.395 9.663 6.086 1.00 0.00 H new ATOM 1461 N PRO A 94 -9.920 3.195 7.385 1.00 0.00 N ATOM 1462 CA PRO A 94 -10.136 2.133 6.419 1.00 0.00 C ATOM 1463 C PRO A 94 -10.115 2.733 5.026 1.00 0.00 C ATOM 1464 O PRO A 94 -10.438 3.906 4.826 1.00 0.00 O ATOM 1465 CB PRO A 94 -11.525 1.559 6.740 1.00 0.00 C ATOM 1466 CG PRO A 94 -12.264 2.754 7.340 1.00 0.00 C ATOM 1467 CD PRO A 94 -11.161 3.518 8.075 1.00 0.00 C ATOM 0 HA PRO A 94 -9.372 1.357 6.464 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -12.023 1.185 5.846 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -11.465 0.728 7.443 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -12.732 3.366 6.569 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -13.055 2.438 8.019 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -11.350 4.591 8.055 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -11.113 3.222 9.123 1.00 0.00 H new ATOM 1475 N LEU A 95 -9.799 1.880 4.050 1.00 0.00 N ATOM 1476 CA LEU A 95 -9.722 2.272 2.661 1.00 0.00 C ATOM 1477 C LEU A 95 -11.041 2.873 2.221 1.00 0.00 C ATOM 1478 O LEU A 95 -11.062 3.936 1.608 1.00 0.00 O ATOM 1479 CB LEU A 95 -9.355 1.065 1.816 1.00 0.00 C ATOM 1480 CG LEU A 95 -7.925 0.577 2.055 1.00 0.00 C ATOM 1481 CD1 LEU A 95 -6.865 1.656 1.886 1.00 0.00 C ATOM 1482 CD2 LEU A 95 -7.659 -0.384 3.191 1.00 0.00 C ATOM 0 H LEU A 95 -9.590 0.895 4.213 1.00 0.00 H new ATOM 0 HA LEU A 95 -8.949 3.030 2.532 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -10.050 0.253 2.031 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -9.475 1.317 0.762 1.00 0.00 H new ATOM 0 HG LEU A 95 -7.816 -0.106 1.212 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.879 1.230 2.072 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -6.904 2.049 0.870 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -7.051 2.463 2.595 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -6.597 -0.628 3.220 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -7.951 0.078 4.134 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -8.237 -1.296 3.039 1.00 0.00 H new ATOM 1494 N THR A 96 -12.125 2.152 2.502 1.00 0.00 N ATOM 1495 CA THR A 96 -13.487 2.563 2.204 1.00 0.00 C ATOM 1496 C THR A 96 -14.363 1.912 3.276 1.00 0.00 C ATOM 1497 O THR A 96 -14.079 0.772 3.678 1.00 0.00 O ATOM 1498 CB THR A 96 -13.933 2.127 0.784 1.00 0.00 C ATOM 1499 OG1 THR A 96 -14.121 0.728 0.693 1.00 0.00 O ATOM 1500 CG2 THR A 96 -13.009 2.524 -0.372 1.00 0.00 C ATOM 0 H THR A 96 -12.073 1.240 2.956 1.00 0.00 H new ATOM 0 HA THR A 96 -13.571 3.650 2.215 1.00 0.00 H new ATOM 0 HB THR A 96 -14.865 2.679 0.665 1.00 0.00 H new ATOM 0 HG1 THR A 96 -13.447 0.271 1.238 1.00 0.00 H new ATOM 0 HG21 THR A 96 -13.427 2.164 -1.312 1.00 0.00 H new ATOM 0 HG22 THR A 96 -12.917 3.610 -0.408 1.00 0.00 H new ATOM 0 HG23 THR A 96 -12.025 2.082 -0.219 1.00 0.00 H new ATOM 1508 N LYS A 97 -15.437 2.570 3.733 1.00 0.00 N ATOM 1509 CA LYS A 97 -16.329 1.960 4.724 1.00 0.00 C ATOM 1510 C LYS A 97 -16.919 0.685 4.127 1.00 0.00 C ATOM 1511 O LYS A 97 -17.110 -0.301 4.834 1.00 0.00 O ATOM 1512 CB LYS A 97 -17.358 2.969 5.238 1.00 0.00 C ATOM 1513 CG LYS A 97 -18.486 3.339 4.269 1.00 0.00 C ATOM 1514 CD LYS A 97 -19.706 2.434 4.438 1.00 0.00 C ATOM 1515 CE LYS A 97 -20.860 3.045 3.634 1.00 0.00 C ATOM 1516 NZ LYS A 97 -22.189 2.535 4.018 1.00 0.00 N ATOM 0 H LYS A 97 -15.705 3.509 3.438 1.00 0.00 H new ATOM 0 HA LYS A 97 -15.778 1.666 5.618 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -17.806 2.569 6.148 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -16.832 3.882 5.517 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -18.779 4.376 4.432 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -18.121 3.268 3.244 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -19.486 1.427 4.085 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -19.976 2.350 5.491 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -20.846 4.127 3.761 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -20.697 2.847 2.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -22.918 2.992 3.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -22.222 1.506 3.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -22.366 2.747 5.021 1.00 0.00 H new ATOM 1530 N LYS A 98 -17.153 0.672 2.806 1.00 0.00 N ATOM 1531 CA LYS A 98 -17.689 -0.476 2.091 1.00 0.00 C ATOM 1532 C LYS A 98 -16.790 -1.690 2.315 1.00 0.00 C ATOM 1533 O LYS A 98 -17.312 -2.757 2.628 1.00 0.00 O ATOM 1534 CB LYS A 98 -17.823 -0.129 0.594 1.00 0.00 C ATOM 1535 CG LYS A 98 -18.131 -1.336 -0.311 1.00 0.00 C ATOM 1536 CD LYS A 98 -19.514 -1.964 -0.071 1.00 0.00 C ATOM 1537 CE LYS A 98 -19.453 -3.493 -0.180 1.00 0.00 C ATOM 1538 NZ LYS A 98 -19.211 -4.149 1.119 1.00 0.00 N ATOM 0 H LYS A 98 -16.970 1.475 2.204 1.00 0.00 H new ATOM 0 HA LYS A 98 -18.680 -0.726 2.470 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -18.614 0.611 0.474 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -16.897 0.336 0.257 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -18.062 -1.022 -1.353 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -17.366 -2.097 -0.156 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -19.879 -1.681 0.916 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -20.226 -1.573 -0.798 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -20.390 -3.861 -0.599 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -18.662 -3.772 -0.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -18.847 -5.110 0.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -18.513 -3.600 1.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -20.102 -4.200 1.653 1.00 0.00 H new ATOM 1552 N SER A 99 -15.476 -1.553 2.131 1.00 0.00 N ATOM 1553 CA SER A 99 -14.553 -2.664 2.306 1.00 0.00 C ATOM 1554 C SER A 99 -14.260 -2.984 3.771 1.00 0.00 C ATOM 1555 O SER A 99 -13.971 -4.135 4.088 1.00 0.00 O ATOM 1556 CB SER A 99 -13.250 -2.364 1.561 1.00 0.00 C ATOM 1557 OG SER A 99 -12.620 -1.163 1.996 1.00 0.00 O ATOM 0 H SER A 99 -15.030 -0.677 1.859 1.00 0.00 H new ATOM 0 HA SER A 99 -15.035 -3.549 1.891 1.00 0.00 H new ATOM 0 HB2 SER A 99 -12.561 -3.198 1.696 1.00 0.00 H new ATOM 0 HB3 SER A 99 -13.457 -2.292 0.493 1.00 0.00 H new ATOM 0 HG SER A 99 -11.714 -1.116 1.624 1.00 0.00 H new ATOM 1563 N GLY A 100 -14.251 -1.971 4.643 1.00 0.00 N ATOM 1564 CA GLY A 100 -13.974 -2.086 6.075 1.00 0.00 C ATOM 1565 C GLY A 100 -12.498 -2.351 6.416 1.00 0.00 C ATOM 1566 O GLY A 100 -12.092 -2.175 7.563 1.00 0.00 O ATOM 0 H GLY A 100 -14.444 -1.011 4.357 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -14.289 -1.167 6.569 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -14.580 -2.893 6.487 1.00 0.00 H new ATOM 1570 N VAL A 101 -11.686 -2.718 5.425 1.00 0.00 N ATOM 1571 CA VAL A 101 -10.270 -3.023 5.543 1.00 0.00 C ATOM 1572 C VAL A 101 -9.455 -1.776 5.885 1.00 0.00 C ATOM 1573 O VAL A 101 -9.790 -0.692 5.405 1.00 0.00 O ATOM 1574 CB VAL A 101 -9.817 -3.624 4.199 1.00 0.00 C ATOM 1575 CG1 VAL A 101 -8.328 -3.978 4.175 1.00 0.00 C ATOM 1576 CG2 VAL A 101 -10.671 -4.835 3.779 1.00 0.00 C ATOM 0 H VAL A 101 -12.023 -2.814 4.467 1.00 0.00 H new ATOM 0 HA VAL A 101 -10.106 -3.731 6.356 1.00 0.00 H new ATOM 0 HB VAL A 101 -9.973 -2.835 3.464 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -8.069 -4.397 3.203 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -7.737 -3.079 4.352 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -8.116 -4.711 4.954 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -10.311 -5.221 2.826 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -10.596 -5.614 4.538 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -11.712 -4.528 3.676 1.00 0.00 H new ATOM 1586 N VAL A 102 -8.349 -1.955 6.614 1.00 0.00 N ATOM 1587 CA VAL A 102 -7.400 -0.932 7.056 1.00 0.00 C ATOM 1588 C VAL A 102 -5.978 -1.507 6.905 1.00 0.00 C ATOM 1589 O VAL A 102 -5.821 -2.686 6.573 1.00 0.00 O ATOM 1590 CB VAL A 102 -7.661 -0.614 8.564 1.00 0.00 C ATOM 1591 CG1 VAL A 102 -6.910 0.619 9.097 1.00 0.00 C ATOM 1592 CG2 VAL A 102 -9.133 -0.431 8.958 1.00 0.00 C ATOM 0 H VAL A 102 -8.075 -2.885 6.932 1.00 0.00 H new ATOM 0 HA VAL A 102 -7.512 -0.023 6.465 1.00 0.00 H new ATOM 0 HB VAL A 102 -7.275 -1.524 9.023 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -7.150 0.764 10.150 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -5.836 0.467 8.987 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -7.211 1.501 8.531 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -9.200 -0.215 10.024 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -9.561 0.396 8.392 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -9.685 -1.345 8.738 1.00 0.00 H new ATOM 1602 N LEU A 103 -4.936 -0.685 7.095 1.00 0.00 N ATOM 1603 CA LEU A 103 -3.522 -1.063 7.016 1.00 0.00 C ATOM 1604 C LEU A 103 -2.984 -1.146 8.429 1.00 0.00 C ATOM 1605 O LEU A 103 -3.185 -0.231 9.228 1.00 0.00 O ATOM 1606 CB LEU A 103 -2.670 -0.070 6.207 1.00 0.00 C ATOM 1607 CG LEU A 103 -2.800 -0.183 4.673 1.00 0.00 C ATOM 1608 CD1 LEU A 103 -4.217 0.071 4.144 1.00 0.00 C ATOM 1609 CD2 LEU A 103 -1.860 0.811 3.989 1.00 0.00 C ATOM 0 H LEU A 103 -5.063 0.302 7.317 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.459 -2.019 6.496 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -2.943 0.943 6.504 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -1.623 -0.211 6.477 1.00 0.00 H new ATOM 0 HG LEU A 103 -2.539 -1.215 4.439 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -4.223 -0.027 3.058 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -4.903 -0.656 4.578 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -4.533 1.077 4.419 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -1.961 0.722 2.907 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -2.117 1.825 4.295 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -0.831 0.596 4.277 1.00 0.00 H new ATOM 1621 N HIS A 104 -2.262 -2.228 8.708 1.00 0.00 N ATOM 1622 CA HIS A 104 -1.670 -2.479 10.012 1.00 0.00 C ATOM 1623 C HIS A 104 -0.187 -2.817 9.886 1.00 0.00 C ATOM 1624 O HIS A 104 0.595 -2.431 10.755 1.00 0.00 O ATOM 1625 CB HIS A 104 -2.436 -3.612 10.698 1.00 0.00 C ATOM 1626 CG HIS A 104 -3.898 -3.324 10.970 1.00 0.00 C ATOM 1627 ND1 HIS A 104 -4.436 -2.140 11.427 1.00 0.00 N ATOM 1628 CD2 HIS A 104 -4.945 -4.192 10.803 1.00 0.00 C ATOM 1629 CE1 HIS A 104 -5.763 -2.297 11.534 1.00 0.00 C ATOM 1630 NE2 HIS A 104 -6.116 -3.538 11.178 1.00 0.00 N ATOM 0 H HIS A 104 -2.071 -2.961 8.025 1.00 0.00 H new ATOM 0 HA HIS A 104 -1.743 -1.577 10.619 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -2.367 -4.505 10.077 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -1.945 -3.842 11.643 1.00 0.00 H new ATOM 0 HD1 HIS A 104 -3.915 -1.291 11.646 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -4.874 -5.208 10.443 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -6.450 -1.531 11.861 1.00 0.00 H new ATOM 1638 N ARG A 105 0.237 -3.506 8.821 1.00 0.00 N ATOM 1639 CA ARG A 105 1.644 -3.862 8.627 1.00 0.00 C ATOM 1640 C ARG A 105 1.893 -4.119 7.154 1.00 0.00 C ATOM 1641 O ARG A 105 1.000 -4.584 6.454 1.00 0.00 O ATOM 1642 CB ARG A 105 1.989 -5.127 9.434 1.00 0.00 C ATOM 1643 CG ARG A 105 3.493 -5.447 9.534 1.00 0.00 C ATOM 1644 CD ARG A 105 4.281 -4.539 10.489 1.00 0.00 C ATOM 1645 NE ARG A 105 4.651 -3.222 9.937 1.00 0.00 N ATOM 1646 CZ ARG A 105 4.337 -2.015 10.438 1.00 0.00 C ATOM 1647 NH1 ARG A 105 3.608 -1.883 11.537 1.00 0.00 N ATOM 1648 NH2 ARG A 105 4.753 -0.920 9.828 1.00 0.00 N ATOM 0 H ARG A 105 -0.380 -3.829 8.076 1.00 0.00 H new ATOM 0 HA ARG A 105 2.272 -3.041 8.973 1.00 0.00 H new ATOM 0 HB2 ARG A 105 1.589 -5.017 10.442 1.00 0.00 H new ATOM 0 HB3 ARG A 105 1.481 -5.978 8.981 1.00 0.00 H new ATOM 0 HG2 ARG A 105 3.610 -6.481 9.859 1.00 0.00 H new ATOM 0 HG3 ARG A 105 3.933 -5.374 8.539 1.00 0.00 H new ATOM 0 HD2 ARG A 105 3.688 -4.384 11.390 1.00 0.00 H new ATOM 0 HD3 ARG A 105 5.191 -5.058 10.791 1.00 0.00 H new ATOM 0 HE ARG A 105 5.206 -3.228 9.081 1.00 0.00 H new ATOM 0 HH11 ARG A 105 3.269 -2.711 12.027 1.00 0.00 H new ATOM 0 HH12 ARG A 105 3.386 -0.953 11.893 1.00 0.00 H new ATOM 0 HH21 ARG A 105 5.312 -0.991 8.978 1.00 0.00 H new ATOM 0 HH22 ARG A 105 4.515 -0.003 10.207 1.00 0.00 H new ATOM 1662 N ALA A 106 3.082 -3.781 6.675 1.00 0.00 N ATOM 1663 CA ALA A 106 3.447 -3.987 5.286 1.00 0.00 C ATOM 1664 C ALA A 106 4.158 -5.321 5.149 1.00 0.00 C ATOM 1665 O ALA A 106 4.595 -5.894 6.151 1.00 0.00 O ATOM 1666 CB ALA A 106 4.318 -2.820 4.833 1.00 0.00 C ATOM 0 H ALA A 106 3.818 -3.357 7.240 1.00 0.00 H new ATOM 0 HA ALA A 106 2.564 -4.019 4.647 1.00 0.00 H new ATOM 0 HB1 ALA A 106 4.601 -2.961 3.790 1.00 0.00 H new ATOM 0 HB2 ALA A 106 3.761 -1.889 4.936 1.00 0.00 H new ATOM 0 HB3 ALA A 106 5.216 -2.775 5.449 1.00 0.00 H new ATOM 1672 N VAL A 107 4.316 -5.810 3.921 1.00 0.00 N ATOM 1673 CA VAL A 107 4.982 -7.079 3.699 1.00 0.00 C ATOM 1674 C VAL A 107 6.198 -6.781 2.814 1.00 0.00 C ATOM 1675 O VAL A 107 6.026 -6.120 1.790 1.00 0.00 O ATOM 1676 CB VAL A 107 3.966 -8.116 3.187 1.00 0.00 C ATOM 1677 CG1 VAL A 107 2.810 -8.336 4.174 1.00 0.00 C ATOM 1678 CG2 VAL A 107 3.362 -7.841 1.815 1.00 0.00 C ATOM 0 H VAL A 107 3.992 -5.345 3.073 1.00 0.00 H new ATOM 0 HA VAL A 107 5.371 -7.551 4.601 1.00 0.00 H new ATOM 0 HB VAL A 107 4.581 -9.011 3.093 1.00 0.00 H new ATOM 0 HG11 VAL A 107 2.120 -9.076 3.768 1.00 0.00 H new ATOM 0 HG12 VAL A 107 3.206 -8.693 5.125 1.00 0.00 H new ATOM 0 HG13 VAL A 107 2.282 -7.396 4.331 1.00 0.00 H new ATOM 0 HG21 VAL A 107 2.662 -8.637 1.559 1.00 0.00 H new ATOM 0 HG22 VAL A 107 2.836 -6.887 1.834 1.00 0.00 H new ATOM 0 HG23 VAL A 107 4.156 -7.803 1.069 1.00 0.00 H new ATOM 1688 N PRO A 108 7.429 -7.152 3.215 1.00 0.00 N ATOM 1689 CA PRO A 108 8.617 -6.881 2.421 1.00 0.00 C ATOM 1690 C PRO A 108 8.732 -7.831 1.228 1.00 0.00 C ATOM 1691 O PRO A 108 8.206 -8.949 1.244 1.00 0.00 O ATOM 1692 CB PRO A 108 9.790 -7.073 3.385 1.00 0.00 C ATOM 1693 CG PRO A 108 9.287 -8.160 4.331 1.00 0.00 C ATOM 1694 CD PRO A 108 7.779 -7.915 4.404 1.00 0.00 C ATOM 0 HA PRO A 108 8.590 -5.878 1.995 1.00 0.00 H new ATOM 0 HB2 PRO A 108 10.695 -7.381 2.862 1.00 0.00 H new ATOM 0 HB3 PRO A 108 10.028 -6.153 3.919 1.00 0.00 H new ATOM 0 HG2 PRO A 108 9.512 -9.156 3.950 1.00 0.00 H new ATOM 0 HG3 PRO A 108 9.753 -8.081 5.313 1.00 0.00 H new ATOM 0 HD2 PRO A 108 7.233 -8.858 4.435 1.00 0.00 H new ATOM 0 HD3 PRO A 108 7.518 -7.366 5.309 1.00 0.00 H new ATOM 1702 N SER A 109 9.513 -7.408 0.235 1.00 0.00 N ATOM 1703 CA SER A 109 9.782 -8.141 -0.992 1.00 0.00 C ATOM 1704 C SER A 109 10.762 -9.292 -0.836 1.00 0.00 C ATOM 1705 O SER A 109 10.689 -10.264 -1.597 1.00 0.00 O ATOM 1706 CB SER A 109 10.270 -7.144 -2.036 1.00 0.00 C ATOM 1707 OG SER A 109 11.313 -6.338 -1.520 1.00 0.00 O ATOM 0 H SER A 109 9.993 -6.509 0.269 1.00 0.00 H new ATOM 0 HA SER A 109 8.853 -8.618 -1.303 1.00 0.00 H new ATOM 0 HB2 SER A 109 10.622 -7.679 -2.918 1.00 0.00 H new ATOM 0 HB3 SER A 109 9.441 -6.512 -2.356 1.00 0.00 H new ATOM 0 HG SER A 109 11.611 -5.708 -2.209 1.00 0.00 H new