USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 759 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 62 ASN :FLIP amide:sc= 0.515 F(o=-1.2,f=-0.34) USER MOD Set 1.2: A 81 SER OG : rot -40:sc= -0.856 USER MOD Set 2.1: A 6 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 60 MET CE :methyl 141:sc= -1.45 (180deg=-3.33) USER MOD Set 2.3: A 88 THR OG1 : rot -150:sc= 0 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.0052) USER MOD Single : A 5 HIS : no HD1:sc= -0.406 X(o=-0.41,f=-0.71) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A -1 HIS : no HD1:sc= -0.427 X(o=-0.43,f=-0.035) USER MOD Single : A -3 SER OG : rot 180:sc= 0 USER MOD Single : A -7 GLY N :NH3+ -99:sc= 0.0234 (180deg=0) USER MOD Single : A 10 HIS : no HD1:sc= -0.395 K(o=-0.39,f=-1) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0.31) USER MOD Single : A 29 HIS : no HD1:sc= -0.259 X(o=-0.26,f=-0.69) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.109 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= -0.206 USER MOD Single : A 44 LYS NZ :NH3+ -155:sc= -0.0507 (180deg=-0.363) USER MOD Single : A 51 GLN : amide:sc= -4.17! C(o=-4.2!,f=-11!) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 ASN : amide:sc= -0.346 K(o=-0.35,f=-2.8!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl 162:sc= -5.7! (180deg=-6.18!) USER MOD Single : A 68 ASN : amide:sc= -1.83 K(o=-1.8,f=-3.5!) USER MOD Single : A 71 HIS : no HE2:sc= -1.79 K(o=-1.8,f=-3.9!) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 77 GLN : amide:sc= -0.0364 X(o=-0.036,f=-0.48) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= 0.912 K(o=0.91,f=-0.5) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ -133:sc=-0.00962 (180deg=-1.68!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -7 16.887 17.231 -21.460 1.00 0.00 N ATOM 2 CA GLY A -7 16.603 18.248 -20.411 1.00 0.00 C ATOM 3 C GLY A -7 16.522 17.642 -19.022 1.00 0.00 C ATOM 4 O GLY A -7 16.145 16.480 -18.872 1.00 0.00 O ATOM 0 H1 GLY A -7 17.900 17.247 -21.694 1.00 0.00 H new ATOM 0 H2 GLY A -7 16.628 16.287 -21.108 1.00 0.00 H new ATOM 0 H3 GLY A -7 16.332 17.447 -22.312 1.00 0.00 H new ATOM 0 HA2 GLY A -7 17.383 19.009 -20.427 1.00 0.00 H new ATOM 0 HA3 GLY A -7 15.663 18.750 -20.641 1.00 0.00 H new ATOM 10 N PRO A -6 16.872 18.412 -17.976 1.00 0.00 N ATOM 11 CA PRO A -6 16.832 17.929 -16.593 1.00 0.00 C ATOM 12 C PRO A -6 15.478 17.332 -16.227 1.00 0.00 C ATOM 13 O PRO A -6 14.554 17.317 -17.041 1.00 0.00 O ATOM 14 CB PRO A -6 17.099 19.191 -15.767 1.00 0.00 C ATOM 15 CG PRO A -6 17.857 20.089 -16.682 1.00 0.00 C ATOM 16 CD PRO A -6 17.335 19.809 -18.064 1.00 0.00 C ATOM 0 HA PRO A -6 17.553 17.130 -16.421 1.00 0.00 H new ATOM 0 HB2 PRO A -6 16.168 19.654 -15.439 1.00 0.00 H new ATOM 0 HB3 PRO A -6 17.675 18.963 -14.870 1.00 0.00 H new ATOM 0 HG2 PRO A -6 17.709 21.135 -16.413 1.00 0.00 H new ATOM 0 HG3 PRO A -6 18.928 19.893 -16.622 1.00 0.00 H new ATOM 0 HD2 PRO A -6 16.523 20.485 -18.332 1.00 0.00 H new ATOM 0 HD3 PRO A -6 18.112 19.928 -18.819 1.00 0.00 H new ATOM 24 N LEU A -5 15.368 16.838 -14.998 1.00 0.00 N ATOM 25 CA LEU A -5 14.125 16.238 -14.525 1.00 0.00 C ATOM 26 C LEU A -5 13.937 16.485 -13.031 1.00 0.00 C ATOM 27 O LEU A -5 14.904 16.515 -12.270 1.00 0.00 O ATOM 28 CB LEU A -5 14.118 14.734 -14.813 1.00 0.00 C ATOM 29 CG LEU A -5 13.352 14.320 -16.071 1.00 0.00 C ATOM 30 CD1 LEU A -5 14.280 14.289 -17.274 1.00 0.00 C ATOM 31 CD2 LEU A -5 12.690 12.964 -15.869 1.00 0.00 C ATOM 0 H LEU A -5 16.123 16.841 -14.312 1.00 0.00 H new ATOM 0 HA LEU A -5 13.297 16.705 -15.059 1.00 0.00 H new ATOM 0 HB2 LEU A -5 15.149 14.392 -14.905 1.00 0.00 H new ATOM 0 HB3 LEU A -5 13.686 14.217 -13.956 1.00 0.00 H new ATOM 0 HG LEU A -5 12.572 15.058 -16.259 1.00 0.00 H new ATOM 0 HD11 LEU A -5 13.718 13.993 -18.160 1.00 0.00 H new ATOM 0 HD12 LEU A -5 14.707 15.280 -17.430 1.00 0.00 H new ATOM 0 HD13 LEU A -5 15.082 13.572 -17.097 1.00 0.00 H new ATOM 0 HD21 LEU A -5 12.149 12.685 -16.773 1.00 0.00 H new ATOM 0 HD22 LEU A -5 13.453 12.215 -15.656 1.00 0.00 H new ATOM 0 HD23 LEU A -5 11.993 13.020 -15.033 1.00 0.00 H new ATOM 43 N GLY A -4 12.685 16.661 -12.618 1.00 0.00 N ATOM 44 CA GLY A -4 12.393 16.904 -11.218 1.00 0.00 C ATOM 45 C GLY A -4 11.651 15.750 -10.573 1.00 0.00 C ATOM 46 O GLY A -4 11.752 15.537 -9.364 1.00 0.00 O ATOM 0 H GLY A -4 11.868 16.640 -13.229 1.00 0.00 H new ATOM 0 HA2 GLY A -4 13.325 17.079 -10.680 1.00 0.00 H new ATOM 0 HA3 GLY A -4 11.797 17.812 -11.126 1.00 0.00 H new ATOM 50 N SER A -3 10.903 15.004 -11.379 1.00 0.00 N ATOM 51 CA SER A -3 10.141 13.866 -10.879 1.00 0.00 C ATOM 52 C SER A -3 9.129 14.310 -9.826 1.00 0.00 C ATOM 53 O SER A -3 9.343 14.123 -8.628 1.00 0.00 O ATOM 54 CB SER A -3 11.082 12.814 -10.288 1.00 0.00 C ATOM 55 OG SER A -3 11.894 12.234 -11.293 1.00 0.00 O ATOM 0 H SER A -3 10.808 15.167 -12.381 1.00 0.00 H new ATOM 0 HA SER A -3 9.599 13.427 -11.717 1.00 0.00 H new ATOM 0 HB2 SER A -3 11.713 13.273 -9.526 1.00 0.00 H new ATOM 0 HB3 SER A -3 10.499 12.037 -9.794 1.00 0.00 H new ATOM 0 HG SER A -3 12.487 11.567 -10.889 1.00 0.00 H new ATOM 61 N ASP A -2 8.029 14.898 -10.283 1.00 0.00 N ATOM 62 CA ASP A -2 6.985 15.368 -9.380 1.00 0.00 C ATOM 63 C ASP A -2 5.601 15.117 -9.971 1.00 0.00 C ATOM 64 O ASP A -2 5.366 15.361 -11.154 1.00 0.00 O ATOM 65 CB ASP A -2 7.166 16.860 -9.091 1.00 0.00 C ATOM 66 CG ASP A -2 6.907 17.202 -7.636 1.00 0.00 C ATOM 67 OD1 ASP A -2 7.269 16.387 -6.762 1.00 0.00 O ATOM 68 OD2 ASP A -2 6.343 18.285 -7.373 1.00 0.00 O ATOM 0 H ASP A -2 7.837 15.060 -11.272 1.00 0.00 H new ATOM 0 HA ASP A -2 7.068 14.811 -8.447 1.00 0.00 H new ATOM 0 HB2 ASP A -2 8.180 17.159 -9.357 1.00 0.00 H new ATOM 0 HB3 ASP A -2 6.489 17.435 -9.723 1.00 0.00 H new ATOM 73 N HIS A -1 4.688 14.629 -9.137 1.00 0.00 N ATOM 74 CA HIS A -1 3.325 14.344 -9.573 1.00 0.00 C ATOM 75 C HIS A -1 3.309 13.274 -10.662 1.00 0.00 C ATOM 76 O HIS A -1 2.411 13.245 -11.503 1.00 0.00 O ATOM 77 CB HIS A -1 2.652 15.619 -10.084 1.00 0.00 C ATOM 78 CG HIS A -1 2.455 16.658 -9.024 1.00 0.00 C ATOM 79 ND1 HIS A -1 1.279 17.361 -8.867 1.00 0.00 N ATOM 80 CD2 HIS A -1 3.294 17.114 -8.063 1.00 0.00 C ATOM 81 CE1 HIS A -1 1.402 18.203 -7.856 1.00 0.00 C ATOM 82 NE2 HIS A -1 2.615 18.072 -7.352 1.00 0.00 N ATOM 0 H HIS A -1 4.867 14.422 -8.154 1.00 0.00 H new ATOM 0 HA HIS A -1 2.770 13.967 -8.714 1.00 0.00 H new ATOM 0 HB2 HIS A -1 3.255 16.041 -10.888 1.00 0.00 H new ATOM 0 HB3 HIS A -1 1.684 15.362 -10.514 1.00 0.00 H new ATOM 0 HD2 HIS A -1 4.308 16.785 -7.889 1.00 0.00 H new ATOM 0 HE1 HIS A -1 0.640 18.882 -7.503 1.00 0.00 H new ATOM 0 HE2 HIS A -1 2.988 18.598 -6.562 1.00 0.00 H new ATOM 91 N ILE A 1 4.305 12.394 -10.637 1.00 0.00 N ATOM 92 CA ILE A 1 4.400 11.319 -11.616 1.00 0.00 C ATOM 93 C ILE A 1 4.224 9.964 -10.943 1.00 0.00 C ATOM 94 O ILE A 1 4.994 9.599 -10.056 1.00 0.00 O ATOM 95 CB ILE A 1 5.754 11.343 -12.353 1.00 0.00 C ATOM 96 CG1 ILE A 1 6.064 12.756 -12.848 1.00 0.00 C ATOM 97 CG2 ILE A 1 5.742 10.359 -13.513 1.00 0.00 C ATOM 98 CD1 ILE A 1 7.384 12.864 -13.582 1.00 0.00 C ATOM 0 H ILE A 1 5.058 12.405 -9.949 1.00 0.00 H new ATOM 0 HA ILE A 1 3.603 11.475 -12.343 1.00 0.00 H new ATOM 0 HB ILE A 1 6.537 11.043 -11.656 1.00 0.00 H new ATOM 0 HG12 ILE A 1 5.262 13.085 -13.509 1.00 0.00 H new ATOM 0 HG13 ILE A 1 6.074 13.436 -11.997 1.00 0.00 H new ATOM 0 HG21 ILE A 1 6.704 10.387 -14.024 1.00 0.00 H new ATOM 0 HG22 ILE A 1 5.561 9.353 -13.135 1.00 0.00 H new ATOM 0 HG23 ILE A 1 4.952 10.631 -14.213 1.00 0.00 H new ATOM 0 HD11 ILE A 1 7.538 13.894 -13.904 1.00 0.00 H new ATOM 0 HD12 ILE A 1 8.195 12.567 -12.918 1.00 0.00 H new ATOM 0 HD13 ILE A 1 7.370 12.209 -14.453 1.00 0.00 H new ATOM 110 N TRP A 2 3.202 9.226 -11.361 1.00 0.00 N ATOM 111 CA TRP A 2 2.926 7.916 -10.782 1.00 0.00 C ATOM 112 C TRP A 2 3.071 6.805 -11.815 1.00 0.00 C ATOM 113 O TRP A 2 2.556 6.902 -12.928 1.00 0.00 O ATOM 114 CB TRP A 2 1.516 7.888 -10.187 1.00 0.00 C ATOM 115 CG TRP A 2 0.439 8.108 -11.204 1.00 0.00 C ATOM 116 CD1 TRP A 2 -0.170 9.291 -11.510 1.00 0.00 C ATOM 117 CD2 TRP A 2 -0.161 7.119 -12.047 1.00 0.00 C ATOM 118 NE1 TRP A 2 -1.111 9.097 -12.493 1.00 0.00 N ATOM 119 CE2 TRP A 2 -1.123 7.772 -12.840 1.00 0.00 C ATOM 120 CE3 TRP A 2 0.025 5.742 -12.211 1.00 0.00 C ATOM 121 CZ2 TRP A 2 -1.898 7.096 -13.779 1.00 0.00 C ATOM 122 CZ3 TRP A 2 -0.744 5.073 -13.144 1.00 0.00 C ATOM 123 CH2 TRP A 2 -1.694 5.750 -13.919 1.00 0.00 C ATOM 0 H TRP A 2 2.553 9.510 -12.095 1.00 0.00 H new ATOM 0 HA TRP A 2 3.658 7.743 -9.993 1.00 0.00 H new ATOM 0 HB2 TRP A 2 1.354 6.927 -9.699 1.00 0.00 H new ATOM 0 HB3 TRP A 2 1.439 8.654 -9.416 1.00 0.00 H new ATOM 0 HD1 TRP A 2 0.055 10.241 -11.047 1.00 0.00 H new ATOM 0 HE1 TRP A 2 -1.704 9.822 -12.898 1.00 0.00 H new ATOM 0 HE3 TRP A 2 0.756 5.212 -11.619 1.00 0.00 H new ATOM 0 HZ2 TRP A 2 -2.634 7.615 -14.375 1.00 0.00 H new ATOM 0 HZ3 TRP A 2 -0.610 4.010 -13.278 1.00 0.00 H new ATOM 0 HH2 TRP A 2 -2.277 5.199 -14.642 1.00 0.00 H new ATOM 134 N GLU A 3 3.770 5.744 -11.427 1.00 0.00 N ATOM 135 CA GLU A 3 3.979 4.598 -12.304 1.00 0.00 C ATOM 136 C GLU A 3 3.303 3.363 -11.720 1.00 0.00 C ATOM 137 O GLU A 3 3.328 3.152 -10.510 1.00 0.00 O ATOM 138 CB GLU A 3 5.475 4.338 -12.496 1.00 0.00 C ATOM 139 CG GLU A 3 5.838 3.885 -13.901 1.00 0.00 C ATOM 140 CD GLU A 3 6.116 5.048 -14.833 1.00 0.00 C ATOM 141 OE1 GLU A 3 5.169 5.798 -15.147 1.00 0.00 O ATOM 142 OE2 GLU A 3 7.284 5.208 -15.250 1.00 0.00 O ATOM 0 H GLU A 3 4.203 5.654 -10.508 1.00 0.00 H new ATOM 0 HA GLU A 3 3.537 4.818 -13.276 1.00 0.00 H new ATOM 0 HB2 GLU A 3 6.027 5.249 -12.263 1.00 0.00 H new ATOM 0 HB3 GLU A 3 5.798 3.579 -11.784 1.00 0.00 H new ATOM 0 HG2 GLU A 3 6.717 3.242 -13.856 1.00 0.00 H new ATOM 0 HG3 GLU A 3 5.024 3.285 -14.307 1.00 0.00 H new ATOM 149 N GLN A 4 2.693 2.555 -12.580 1.00 0.00 N ATOM 150 CA GLN A 4 2.001 1.351 -12.131 1.00 0.00 C ATOM 151 C GLN A 4 2.778 0.093 -12.505 1.00 0.00 C ATOM 152 O GLN A 4 3.144 -0.105 -13.664 1.00 0.00 O ATOM 153 CB GLN A 4 0.596 1.292 -12.733 1.00 0.00 C ATOM 154 CG GLN A 4 -0.264 0.179 -12.161 1.00 0.00 C ATOM 155 CD GLN A 4 -1.187 -0.434 -13.196 1.00 0.00 C ATOM 156 OE1 GLN A 4 -0.782 -1.303 -13.969 1.00 0.00 O ATOM 157 NE2 GLN A 4 -2.435 0.017 -13.216 1.00 0.00 N ATOM 0 H GLN A 4 2.663 2.710 -13.588 1.00 0.00 H new ATOM 0 HA GLN A 4 1.926 1.395 -11.044 1.00 0.00 H new ATOM 0 HB2 GLN A 4 0.098 2.247 -12.566 1.00 0.00 H new ATOM 0 HB3 GLN A 4 0.677 1.159 -13.812 1.00 0.00 H new ATOM 0 HG2 GLN A 4 0.380 -0.598 -11.748 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -0.859 0.572 -11.336 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -2.727 0.738 -12.557 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -3.102 -0.358 -13.891 1.00 0.00 H new ATOM 166 N HIS A 5 3.022 -0.758 -11.511 1.00 0.00 N ATOM 167 CA HIS A 5 3.752 -2.002 -11.728 1.00 0.00 C ATOM 168 C HIS A 5 3.036 -3.176 -11.067 1.00 0.00 C ATOM 169 O HIS A 5 2.536 -3.062 -9.947 1.00 0.00 O ATOM 170 CB HIS A 5 5.174 -1.887 -11.179 1.00 0.00 C ATOM 171 CG HIS A 5 6.061 -1.000 -11.995 1.00 0.00 C ATOM 172 ND1 HIS A 5 6.276 0.330 -11.698 1.00 0.00 N ATOM 173 CD2 HIS A 5 6.790 -1.257 -13.107 1.00 0.00 C ATOM 174 CE1 HIS A 5 7.098 0.852 -12.591 1.00 0.00 C ATOM 175 NE2 HIS A 5 7.425 -0.091 -13.456 1.00 0.00 N ATOM 0 H HIS A 5 2.724 -0.608 -10.547 1.00 0.00 H new ATOM 0 HA HIS A 5 3.797 -2.183 -12.802 1.00 0.00 H new ATOM 0 HB2 HIS A 5 5.131 -1.505 -10.159 1.00 0.00 H new ATOM 0 HB3 HIS A 5 5.617 -2.882 -11.128 1.00 0.00 H new ATOM 0 HD2 HIS A 5 6.859 -2.203 -13.623 1.00 0.00 H new ATOM 0 HE1 HIS A 5 7.444 1.875 -12.610 1.00 0.00 H new ATOM 0 HE2 HIS A 5 8.049 0.028 -14.254 1.00 0.00 H new ATOM 184 N THR A 6 2.994 -4.305 -11.769 1.00 0.00 N ATOM 185 CA THR A 6 2.342 -5.503 -11.253 1.00 0.00 C ATOM 186 C THR A 6 3.354 -6.630 -11.066 1.00 0.00 C ATOM 187 O THR A 6 3.977 -7.084 -12.026 1.00 0.00 O ATOM 188 CB THR A 6 1.230 -5.954 -12.201 1.00 0.00 C ATOM 189 OG1 THR A 6 0.737 -7.228 -11.825 1.00 0.00 O ATOM 190 CG2 THR A 6 1.671 -6.040 -13.645 1.00 0.00 C ATOM 0 H THR A 6 3.404 -4.415 -12.697 1.00 0.00 H new ATOM 0 HA THR A 6 1.906 -5.262 -10.284 1.00 0.00 H new ATOM 0 HB THR A 6 0.456 -5.191 -12.121 1.00 0.00 H new ATOM 0 HG1 THR A 6 0.026 -7.499 -12.442 1.00 0.00 H new ATOM 0 HG21 THR A 6 0.834 -6.366 -14.262 1.00 0.00 H new ATOM 0 HG22 THR A 6 2.010 -5.060 -13.981 1.00 0.00 H new ATOM 0 HG23 THR A 6 2.488 -6.757 -13.734 1.00 0.00 H new ATOM 198 N VAL A 7 3.516 -7.074 -9.823 1.00 0.00 N ATOM 199 CA VAL A 7 4.455 -8.145 -9.510 1.00 0.00 C ATOM 200 C VAL A 7 3.737 -9.353 -8.917 1.00 0.00 C ATOM 201 O VAL A 7 2.716 -9.212 -8.244 1.00 0.00 O ATOM 202 CB VAL A 7 5.539 -7.671 -8.524 1.00 0.00 C ATOM 203 CG1 VAL A 7 6.617 -8.732 -8.363 1.00 0.00 C ATOM 204 CG2 VAL A 7 6.142 -6.354 -8.986 1.00 0.00 C ATOM 0 H VAL A 7 3.009 -6.709 -9.017 1.00 0.00 H new ATOM 0 HA VAL A 7 4.928 -8.433 -10.449 1.00 0.00 H new ATOM 0 HB VAL A 7 5.073 -7.510 -7.552 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.374 -8.378 -7.663 1.00 0.00 H new ATOM 0 HG12 VAL A 7 6.170 -9.650 -7.981 1.00 0.00 H new ATOM 0 HG13 VAL A 7 7.081 -8.929 -9.329 1.00 0.00 H new ATOM 0 HG21 VAL A 7 6.906 -6.035 -8.277 1.00 0.00 H new ATOM 0 HG22 VAL A 7 6.592 -6.485 -9.970 1.00 0.00 H new ATOM 0 HG23 VAL A 7 5.361 -5.596 -9.043 1.00 0.00 H new ATOM 214 N THR A 8 4.282 -10.540 -9.171 1.00 0.00 N ATOM 215 CA THR A 8 3.699 -11.779 -8.664 1.00 0.00 C ATOM 216 C THR A 8 4.503 -12.319 -7.485 1.00 0.00 C ATOM 217 O THR A 8 5.679 -12.652 -7.625 1.00 0.00 O ATOM 218 CB THR A 8 3.635 -12.828 -9.775 1.00 0.00 C ATOM 219 OG1 THR A 8 3.180 -12.250 -10.985 1.00 0.00 O ATOM 220 CG2 THR A 8 2.721 -13.989 -9.450 1.00 0.00 C ATOM 0 H THR A 8 5.128 -10.670 -9.726 1.00 0.00 H new ATOM 0 HA THR A 8 2.688 -11.560 -8.320 1.00 0.00 H new ATOM 0 HB THR A 8 4.653 -13.204 -9.875 1.00 0.00 H new ATOM 0 HG1 THR A 8 3.148 -12.937 -11.684 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.722 -14.696 -10.280 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.074 -14.488 -8.548 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.708 -13.620 -9.288 1.00 0.00 H new ATOM 228 N LEU A 9 3.859 -12.404 -6.325 1.00 0.00 N ATOM 229 CA LEU A 9 4.516 -12.905 -5.122 1.00 0.00 C ATOM 230 C LEU A 9 4.028 -14.309 -4.779 1.00 0.00 C ATOM 231 O LEU A 9 2.856 -14.507 -4.455 1.00 0.00 O ATOM 232 CB LEU A 9 4.260 -11.962 -3.945 1.00 0.00 C ATOM 233 CG LEU A 9 4.406 -10.473 -4.264 1.00 0.00 C ATOM 234 CD1 LEU A 9 3.493 -9.643 -3.374 1.00 0.00 C ATOM 235 CD2 LEU A 9 5.853 -10.033 -4.102 1.00 0.00 C ATOM 0 H LEU A 9 2.885 -12.133 -6.192 1.00 0.00 H new ATOM 0 HA LEU A 9 5.588 -12.950 -5.316 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.253 -12.140 -3.569 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.950 -12.215 -3.140 1.00 0.00 H new ATOM 0 HG LEU A 9 4.111 -10.313 -5.301 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.611 -8.587 -3.616 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.457 -9.939 -3.538 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.756 -9.807 -2.329 1.00 0.00 H new ATOM 0 HD21 LEU A 9 5.938 -8.971 -4.333 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.174 -10.208 -3.075 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.485 -10.604 -4.782 1.00 0.00 H new ATOM 247 N HIS A 10 4.933 -15.280 -4.851 1.00 0.00 N ATOM 248 CA HIS A 10 4.593 -16.665 -4.545 1.00 0.00 C ATOM 249 C HIS A 10 4.490 -16.879 -3.038 1.00 0.00 C ATOM 250 O HIS A 10 5.449 -16.644 -2.302 1.00 0.00 O ATOM 251 CB HIS A 10 5.639 -17.614 -5.135 1.00 0.00 C ATOM 252 CG HIS A 10 6.012 -17.290 -6.548 1.00 0.00 C ATOM 253 ND1 HIS A 10 5.216 -16.534 -7.384 1.00 0.00 N ATOM 254 CD2 HIS A 10 7.105 -17.627 -7.275 1.00 0.00 C ATOM 255 CE1 HIS A 10 5.803 -16.420 -8.562 1.00 0.00 C ATOM 256 NE2 HIS A 10 6.950 -17.073 -8.522 1.00 0.00 N ATOM 0 H HIS A 10 5.906 -15.134 -5.118 1.00 0.00 H new ATOM 0 HA HIS A 10 3.623 -16.881 -4.993 1.00 0.00 H new ATOM 0 HB2 HIS A 10 6.535 -17.584 -4.515 1.00 0.00 H new ATOM 0 HB3 HIS A 10 5.257 -18.634 -5.094 1.00 0.00 H new ATOM 0 HD2 HIS A 10 7.942 -18.220 -6.937 1.00 0.00 H new ATOM 0 HE1 HIS A 10 5.411 -15.884 -9.414 1.00 0.00 H new ATOM 0 HE2 HIS A 10 7.613 -17.153 -9.293 1.00 0.00 H new ATOM 265 N ARG A 11 3.324 -17.326 -2.586 1.00 0.00 N ATOM 266 CA ARG A 11 3.099 -17.571 -1.166 1.00 0.00 C ATOM 267 C ARG A 11 4.067 -18.622 -0.635 1.00 0.00 C ATOM 268 O ARG A 11 4.199 -19.704 -1.207 1.00 0.00 O ATOM 269 CB ARG A 11 1.657 -18.021 -0.926 1.00 0.00 C ATOM 270 CG ARG A 11 0.624 -16.953 -1.247 1.00 0.00 C ATOM 271 CD ARG A 11 -0.739 -17.298 -0.667 1.00 0.00 C ATOM 272 NE ARG A 11 -0.730 -17.300 0.795 1.00 0.00 N ATOM 273 CZ ARG A 11 -0.491 -18.379 1.538 1.00 0.00 C ATOM 274 NH1 ARG A 11 -0.225 -19.548 0.967 1.00 0.00 N ATOM 275 NH2 ARG A 11 -0.513 -18.289 2.862 1.00 0.00 N ATOM 0 H ARG A 11 2.520 -17.526 -3.181 1.00 0.00 H new ATOM 0 HA ARG A 11 3.275 -16.638 -0.630 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.455 -18.904 -1.533 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.547 -18.319 0.117 1.00 0.00 H new ATOM 0 HG2 ARG A 11 0.956 -15.994 -0.850 1.00 0.00 H new ATOM 0 HG3 ARG A 11 0.542 -16.839 -2.328 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -1.477 -16.579 -1.024 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -1.049 -18.279 -1.029 1.00 0.00 H new ATOM 0 HE ARG A 11 -0.918 -16.420 1.276 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -0.202 -19.626 -0.050 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -0.043 -20.368 1.545 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -0.713 -17.394 3.309 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -0.330 -19.115 3.432 1.00 0.00 H new ATOM 289 N ALA A 12 4.743 -18.298 0.462 1.00 0.00 N ATOM 290 CA ALA A 12 5.698 -19.214 1.071 1.00 0.00 C ATOM 291 C ALA A 12 5.329 -19.507 2.525 1.00 0.00 C ATOM 292 O ALA A 12 4.806 -18.641 3.226 1.00 0.00 O ATOM 293 CB ALA A 12 7.106 -18.641 0.987 1.00 0.00 C ATOM 0 H ALA A 12 4.646 -17.406 0.948 1.00 0.00 H new ATOM 0 HA ALA A 12 5.666 -20.153 0.519 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.810 -19.336 1.446 1.00 0.00 H new ATOM 0 HB2 ALA A 12 7.375 -18.489 -0.058 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.143 -17.687 1.513 1.00 0.00 H new ATOM 299 N PRO A 13 5.598 -20.736 2.998 1.00 0.00 N ATOM 300 CA PRO A 13 5.290 -21.136 4.375 1.00 0.00 C ATOM 301 C PRO A 13 5.890 -20.183 5.403 1.00 0.00 C ATOM 302 O PRO A 13 6.934 -19.575 5.166 1.00 0.00 O ATOM 303 CB PRO A 13 5.925 -22.523 4.499 1.00 0.00 C ATOM 304 CG PRO A 13 5.996 -23.036 3.101 1.00 0.00 C ATOM 305 CD PRO A 13 6.221 -21.831 2.231 1.00 0.00 C ATOM 0 HA PRO A 13 4.217 -21.127 4.568 1.00 0.00 H new ATOM 0 HB2 PRO A 13 6.916 -22.466 4.950 1.00 0.00 H new ATOM 0 HB3 PRO A 13 5.325 -23.178 5.131 1.00 0.00 H new ATOM 0 HG2 PRO A 13 6.807 -23.755 2.990 1.00 0.00 H new ATOM 0 HG3 PRO A 13 5.075 -23.550 2.826 1.00 0.00 H new ATOM 0 HD2 PRO A 13 7.282 -21.650 2.062 1.00 0.00 H new ATOM 0 HD3 PRO A 13 5.758 -21.950 1.252 1.00 0.00 H new ATOM 313 N GLY A 14 5.226 -20.059 6.548 1.00 0.00 N ATOM 314 CA GLY A 14 5.709 -19.181 7.595 1.00 0.00 C ATOM 315 C GLY A 14 5.185 -17.765 7.455 1.00 0.00 C ATOM 316 O GLY A 14 4.642 -17.200 8.405 1.00 0.00 O ATOM 0 H GLY A 14 4.361 -20.552 6.768 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.412 -19.580 8.565 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.799 -19.165 7.577 1.00 0.00 H new ATOM 320 N PHE A 15 5.348 -17.190 6.268 1.00 0.00 N ATOM 321 CA PHE A 15 4.889 -15.831 6.008 1.00 0.00 C ATOM 322 C PHE A 15 3.641 -15.836 5.129 1.00 0.00 C ATOM 323 O PHE A 15 2.529 -15.629 5.615 1.00 0.00 O ATOM 324 CB PHE A 15 5.999 -15.014 5.345 1.00 0.00 C ATOM 325 CG PHE A 15 7.247 -14.914 6.177 1.00 0.00 C ATOM 326 CD1 PHE A 15 7.279 -14.116 7.309 1.00 0.00 C ATOM 327 CD2 PHE A 15 8.388 -15.618 5.825 1.00 0.00 C ATOM 328 CE1 PHE A 15 8.425 -14.023 8.076 1.00 0.00 C ATOM 329 CE2 PHE A 15 9.538 -15.527 6.587 1.00 0.00 C ATOM 330 CZ PHE A 15 9.556 -14.729 7.714 1.00 0.00 C ATOM 0 H PHE A 15 5.794 -17.644 5.471 1.00 0.00 H new ATOM 0 HA PHE A 15 4.633 -15.370 6.962 1.00 0.00 H new ATOM 0 HB2 PHE A 15 6.247 -15.465 4.384 1.00 0.00 H new ATOM 0 HB3 PHE A 15 5.627 -14.010 5.139 1.00 0.00 H new ATOM 0 HD1 PHE A 15 6.398 -13.560 7.595 1.00 0.00 H new ATOM 0 HD2 PHE A 15 8.379 -16.245 4.945 1.00 0.00 H new ATOM 0 HE1 PHE A 15 8.436 -13.399 8.957 1.00 0.00 H new ATOM 0 HE2 PHE A 15 10.421 -16.079 6.301 1.00 0.00 H new ATOM 0 HZ PHE A 15 10.453 -14.657 8.311 1.00 0.00 H new ATOM 340 N GLY A 16 3.829 -16.076 3.835 1.00 0.00 N ATOM 341 CA GLY A 16 2.708 -16.106 2.915 1.00 0.00 C ATOM 342 C GLY A 16 2.789 -15.022 1.859 1.00 0.00 C ATOM 343 O GLY A 16 3.616 -15.090 0.950 1.00 0.00 O ATOM 0 H GLY A 16 4.739 -16.250 3.408 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.669 -17.080 2.428 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.780 -15.993 3.476 1.00 0.00 H new ATOM 347 N PHE A 17 1.924 -14.021 1.978 1.00 0.00 N ATOM 348 CA PHE A 17 1.896 -12.914 1.023 1.00 0.00 C ATOM 349 C PHE A 17 3.157 -12.063 1.131 1.00 0.00 C ATOM 350 O PHE A 17 3.663 -11.558 0.129 1.00 0.00 O ATOM 351 CB PHE A 17 0.653 -12.036 1.228 1.00 0.00 C ATOM 352 CG PHE A 17 0.142 -12.004 2.642 1.00 0.00 C ATOM 353 CD1 PHE A 17 0.877 -11.398 3.647 1.00 0.00 C ATOM 354 CD2 PHE A 17 -1.076 -12.581 2.963 1.00 0.00 C ATOM 355 CE1 PHE A 17 0.408 -11.369 4.948 1.00 0.00 C ATOM 356 CE2 PHE A 17 -1.551 -12.555 4.261 1.00 0.00 C ATOM 357 CZ PHE A 17 -0.808 -11.948 5.255 1.00 0.00 C ATOM 0 H PHE A 17 1.233 -13.951 2.725 1.00 0.00 H new ATOM 0 HA PHE A 17 1.853 -13.348 0.024 1.00 0.00 H new ATOM 0 HB2 PHE A 17 0.886 -11.018 0.916 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -0.142 -12.395 0.575 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.828 -10.943 3.412 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -1.661 -13.057 2.190 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.992 -10.894 5.723 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -2.502 -13.009 4.498 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.177 -11.926 6.270 1.00 0.00 H new ATOM 367 N GLY A 18 3.662 -11.908 2.350 1.00 0.00 N ATOM 368 CA GLY A 18 4.861 -11.117 2.560 1.00 0.00 C ATOM 369 C GLY A 18 4.559 -9.677 2.930 1.00 0.00 C ATOM 370 O GLY A 18 5.386 -9.002 3.543 1.00 0.00 O ATOM 0 H GLY A 18 3.263 -12.315 3.196 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.457 -11.573 3.350 1.00 0.00 H new ATOM 0 HA3 GLY A 18 5.466 -11.135 1.653 1.00 0.00 H new ATOM 374 N ILE A 19 3.373 -9.204 2.560 1.00 0.00 N ATOM 375 CA ILE A 19 2.970 -7.834 2.859 1.00 0.00 C ATOM 376 C ILE A 19 1.582 -7.792 3.488 1.00 0.00 C ATOM 377 O ILE A 19 0.778 -8.705 3.303 1.00 0.00 O ATOM 378 CB ILE A 19 2.972 -6.953 1.594 1.00 0.00 C ATOM 379 CG1 ILE A 19 2.259 -7.667 0.443 1.00 0.00 C ATOM 380 CG2 ILE A 19 4.398 -6.590 1.199 1.00 0.00 C ATOM 381 CD1 ILE A 19 0.750 -7.583 0.524 1.00 0.00 C ATOM 0 H ILE A 19 2.675 -9.748 2.053 1.00 0.00 H new ATOM 0 HA ILE A 19 3.701 -7.442 3.566 1.00 0.00 H new ATOM 0 HB ILE A 19 2.432 -6.032 1.814 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.589 -7.235 -0.502 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.557 -8.715 0.436 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.381 -5.968 0.304 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.873 -6.042 2.013 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.963 -7.500 0.997 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.310 -8.110 -0.323 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.409 -8.041 1.453 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.442 -6.538 0.500 1.00 0.00 H new ATOM 393 N ALA A 20 1.306 -6.724 4.229 1.00 0.00 N ATOM 394 CA ALA A 20 0.015 -6.562 4.885 1.00 0.00 C ATOM 395 C ALA A 20 -0.758 -5.392 4.287 1.00 0.00 C ATOM 396 O ALA A 20 -0.214 -4.301 4.111 1.00 0.00 O ATOM 397 CB ALA A 20 0.204 -6.364 6.381 1.00 0.00 C ATOM 0 H ALA A 20 1.960 -5.958 4.390 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.566 -7.470 4.722 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.769 -6.244 6.858 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.710 -7.233 6.802 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.806 -5.473 6.557 1.00 0.00 H new ATOM 403 N ILE A 21 -2.027 -5.625 3.975 1.00 0.00 N ATOM 404 CA ILE A 21 -2.873 -4.589 3.395 1.00 0.00 C ATOM 405 C ILE A 21 -3.608 -3.808 4.478 1.00 0.00 C ATOM 406 O ILE A 21 -3.713 -4.257 5.620 1.00 0.00 O ATOM 407 CB ILE A 21 -3.904 -5.176 2.411 1.00 0.00 C ATOM 408 CG1 ILE A 21 -4.763 -6.243 3.107 1.00 0.00 C ATOM 409 CG2 ILE A 21 -3.206 -5.740 1.181 1.00 0.00 C ATOM 410 CD1 ILE A 21 -4.235 -7.659 2.974 1.00 0.00 C ATOM 0 H ILE A 21 -2.493 -6.522 4.114 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.210 -3.917 2.850 1.00 0.00 H new ATOM 0 HB ILE A 21 -4.568 -4.377 2.080 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -4.841 -5.995 4.166 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -5.772 -6.204 2.696 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -3.949 -6.150 0.497 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -2.652 -4.946 0.681 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.517 -6.528 1.483 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -4.902 -8.346 3.494 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -4.184 -7.931 1.920 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -3.239 -7.719 3.412 1.00 0.00 H new ATOM 422 N SER A 22 -4.113 -2.636 4.111 1.00 0.00 N ATOM 423 CA SER A 22 -4.838 -1.786 5.048 1.00 0.00 C ATOM 424 C SER A 22 -5.924 -0.992 4.331 1.00 0.00 C ATOM 425 O SER A 22 -5.685 -0.411 3.272 1.00 0.00 O ATOM 426 CB SER A 22 -3.871 -0.831 5.750 1.00 0.00 C ATOM 427 OG SER A 22 -4.297 -0.555 7.073 1.00 0.00 O ATOM 0 H SER A 22 -4.034 -2.252 3.169 1.00 0.00 H new ATOM 0 HA SER A 22 -5.312 -2.426 5.792 1.00 0.00 H new ATOM 0 HB2 SER A 22 -2.873 -1.269 5.770 1.00 0.00 H new ATOM 0 HB3 SER A 22 -3.800 0.099 5.186 1.00 0.00 H new ATOM 0 HG SER A 22 -3.661 0.056 7.501 1.00 0.00 H new ATOM 433 N GLY A 23 -7.118 -0.967 4.916 1.00 0.00 N ATOM 434 CA GLY A 23 -8.219 -0.238 4.315 1.00 0.00 C ATOM 435 C GLY A 23 -9.558 -0.919 4.524 1.00 0.00 C ATOM 436 O GLY A 23 -9.842 -1.430 5.607 1.00 0.00 O ATOM 0 H GLY A 23 -7.342 -1.437 5.793 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.257 0.766 4.737 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -8.035 -0.128 3.246 1.00 0.00 H new ATOM 440 N GLY A 24 -10.383 -0.921 3.481 1.00 0.00 N ATOM 441 CA GLY A 24 -11.693 -1.540 3.566 1.00 0.00 C ATOM 442 C GLY A 24 -12.810 -0.538 3.347 1.00 0.00 C ATOM 443 O GLY A 24 -13.252 0.127 4.284 1.00 0.00 O ATOM 0 H GLY A 24 -10.166 -0.503 2.576 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.768 -2.334 2.823 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.811 -2.006 4.544 1.00 0.00 H new ATOM 447 N ARG A 25 -13.260 -0.423 2.102 1.00 0.00 N ATOM 448 CA ARG A 25 -14.322 0.516 1.749 1.00 0.00 C ATOM 449 C ARG A 25 -15.679 0.057 2.281 1.00 0.00 C ATOM 450 O ARG A 25 -16.538 0.878 2.604 1.00 0.00 O ATOM 451 CB ARG A 25 -14.390 0.685 0.229 1.00 0.00 C ATOM 452 CG ARG A 25 -15.534 1.573 -0.237 1.00 0.00 C ATOM 453 CD ARG A 25 -15.303 3.025 0.145 1.00 0.00 C ATOM 454 NE ARG A 25 -16.485 3.849 -0.097 1.00 0.00 N ATOM 455 CZ ARG A 25 -17.552 3.864 0.698 1.00 0.00 C ATOM 456 NH1 ARG A 25 -17.589 3.105 1.787 1.00 0.00 N ATOM 457 NH2 ARG A 25 -18.585 4.641 0.404 1.00 0.00 N ATOM 0 H ARG A 25 -12.905 -0.970 1.317 1.00 0.00 H new ATOM 0 HA ARG A 25 -14.086 1.474 2.213 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -13.448 1.106 -0.123 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -14.493 -0.297 -0.233 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -15.641 1.493 -1.319 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -16.469 1.224 0.202 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -15.030 3.084 1.199 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -14.462 3.421 -0.425 1.00 0.00 H new ATOM 0 HE ARG A 25 -16.493 4.447 -0.923 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -16.797 2.506 2.018 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -18.410 3.121 2.392 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -18.561 5.227 -0.431 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -19.403 4.653 1.013 1.00 0.00 H new ATOM 471 N ASP A 26 -15.872 -1.253 2.351 1.00 0.00 N ATOM 472 CA ASP A 26 -17.132 -1.819 2.821 1.00 0.00 C ATOM 473 C ASP A 26 -17.514 -1.295 4.205 1.00 0.00 C ATOM 474 O ASP A 26 -18.693 -1.284 4.562 1.00 0.00 O ATOM 475 CB ASP A 26 -17.048 -3.344 2.851 1.00 0.00 C ATOM 476 CG ASP A 26 -17.281 -3.961 1.485 1.00 0.00 C ATOM 477 OD1 ASP A 26 -16.427 -3.770 0.594 1.00 0.00 O ATOM 478 OD2 ASP A 26 -18.317 -4.636 1.308 1.00 0.00 O ATOM 0 H ASP A 26 -15.171 -1.946 2.088 1.00 0.00 H new ATOM 0 HA ASP A 26 -17.908 -1.509 2.121 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -16.067 -3.644 3.220 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -17.786 -3.732 3.553 1.00 0.00 H new ATOM 483 N ASN A 27 -16.525 -0.868 4.988 1.00 0.00 N ATOM 484 CA ASN A 27 -16.795 -0.355 6.332 1.00 0.00 C ATOM 485 C ASN A 27 -15.510 -0.008 7.086 1.00 0.00 C ATOM 486 O ASN A 27 -15.362 1.110 7.580 1.00 0.00 O ATOM 487 CB ASN A 27 -17.602 -1.378 7.140 1.00 0.00 C ATOM 488 CG ASN A 27 -18.811 -0.760 7.814 1.00 0.00 C ATOM 489 OD1 ASN A 27 -19.846 -0.543 7.183 1.00 0.00 O ATOM 490 ND2 ASN A 27 -18.685 -0.470 9.104 1.00 0.00 N ATOM 0 H ASN A 27 -15.541 -0.866 4.721 1.00 0.00 H new ATOM 0 HA ASN A 27 -17.372 0.562 6.214 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -17.929 -2.182 6.480 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -16.959 -1.828 7.896 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -19.464 -0.050 9.611 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -17.809 -0.667 9.588 1.00 0.00 H new ATOM 497 N PRO A 28 -14.568 -0.967 7.203 1.00 0.00 N ATOM 498 CA PRO A 28 -13.303 -0.771 7.917 1.00 0.00 C ATOM 499 C PRO A 28 -12.756 0.654 7.825 1.00 0.00 C ATOM 500 O PRO A 28 -12.595 1.326 8.844 1.00 0.00 O ATOM 501 CB PRO A 28 -12.382 -1.754 7.210 1.00 0.00 C ATOM 502 CG PRO A 28 -13.269 -2.902 6.854 1.00 0.00 C ATOM 503 CD PRO A 28 -14.662 -2.340 6.663 1.00 0.00 C ATOM 0 HA PRO A 28 -13.409 -0.932 8.990 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -11.932 -1.309 6.322 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -11.564 -2.069 7.858 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -12.922 -3.390 5.944 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -13.261 -3.655 7.642 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -14.951 -2.337 5.612 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -15.407 -2.929 7.197 1.00 0.00 H new ATOM 511 N HIS A 29 -12.466 1.111 6.611 1.00 0.00 N ATOM 512 CA HIS A 29 -11.933 2.456 6.422 1.00 0.00 C ATOM 513 C HIS A 29 -12.389 3.057 5.095 1.00 0.00 C ATOM 514 O HIS A 29 -12.347 2.400 4.055 1.00 0.00 O ATOM 515 CB HIS A 29 -10.404 2.435 6.489 1.00 0.00 C ATOM 516 CG HIS A 29 -9.839 3.374 7.509 1.00 0.00 C ATOM 517 ND1 HIS A 29 -10.477 3.668 8.697 1.00 0.00 N ATOM 518 CD2 HIS A 29 -8.688 4.089 7.517 1.00 0.00 C ATOM 519 CE1 HIS A 29 -9.745 4.522 9.389 1.00 0.00 C ATOM 520 NE2 HIS A 29 -8.655 4.793 8.696 1.00 0.00 N ATOM 0 H HIS A 29 -12.589 0.576 5.751 1.00 0.00 H new ATOM 0 HA HIS A 29 -12.320 3.082 7.226 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -10.072 1.422 6.716 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -10.002 2.691 5.509 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -7.937 4.103 6.741 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -9.996 4.929 10.357 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -7.909 5.423 8.989 1.00 0.00 H new ATOM 529 N PHE A 30 -12.818 4.313 5.143 1.00 0.00 N ATOM 530 CA PHE A 30 -13.277 5.014 3.950 1.00 0.00 C ATOM 531 C PHE A 30 -12.858 6.480 3.992 1.00 0.00 C ATOM 532 O PHE A 30 -12.994 7.144 5.020 1.00 0.00 O ATOM 533 CB PHE A 30 -14.798 4.910 3.825 1.00 0.00 C ATOM 534 CG PHE A 30 -15.540 5.570 4.953 1.00 0.00 C ATOM 535 CD1 PHE A 30 -15.434 5.084 6.247 1.00 0.00 C ATOM 536 CD2 PHE A 30 -16.342 6.675 4.719 1.00 0.00 C ATOM 537 CE1 PHE A 30 -16.115 5.690 7.286 1.00 0.00 C ATOM 538 CE2 PHE A 30 -17.024 7.284 5.754 1.00 0.00 C ATOM 539 CZ PHE A 30 -16.912 6.792 7.039 1.00 0.00 C ATOM 0 H PHE A 30 -12.857 4.868 5.998 1.00 0.00 H new ATOM 0 HA PHE A 30 -12.816 4.545 3.081 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -15.109 5.362 2.883 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -15.080 3.858 3.782 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -14.813 4.223 6.445 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -16.435 7.065 3.716 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -16.024 5.303 8.290 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -17.645 8.145 5.558 1.00 0.00 H new ATOM 0 HZ PHE A 30 -17.446 7.267 7.849 1.00 0.00 H new ATOM 549 N GLN A 31 -12.345 6.980 2.873 1.00 0.00 N ATOM 550 CA GLN A 31 -11.904 8.367 2.790 1.00 0.00 C ATOM 551 C GLN A 31 -12.060 8.908 1.372 1.00 0.00 C ATOM 552 O GLN A 31 -11.739 8.227 0.398 1.00 0.00 O ATOM 553 CB GLN A 31 -10.444 8.486 3.235 1.00 0.00 C ATOM 554 CG GLN A 31 -10.282 8.764 4.720 1.00 0.00 C ATOM 555 CD GLN A 31 -10.139 10.243 5.024 1.00 0.00 C ATOM 556 OE1 GLN A 31 -10.919 11.066 4.544 1.00 0.00 O ATOM 557 NE2 GLN A 31 -9.137 10.588 5.824 1.00 0.00 N ATOM 0 H GLN A 31 -12.225 6.446 2.012 1.00 0.00 H new ATOM 0 HA GLN A 31 -12.531 8.960 3.455 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -9.921 7.562 2.988 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -9.964 9.285 2.670 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -11.145 8.368 5.256 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -9.405 8.234 5.092 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -8.515 9.872 6.199 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -8.990 11.569 6.063 1.00 0.00 H new ATOM 566 N SER A 32 -12.553 10.138 1.265 1.00 0.00 N ATOM 567 CA SER A 32 -12.751 10.771 -0.033 1.00 0.00 C ATOM 568 C SER A 32 -11.416 11.173 -0.651 1.00 0.00 C ATOM 569 O SER A 32 -10.668 11.964 -0.076 1.00 0.00 O ATOM 570 CB SER A 32 -13.652 11.999 0.107 1.00 0.00 C ATOM 571 OG SER A 32 -13.869 12.619 -1.149 1.00 0.00 O ATOM 0 H SER A 32 -12.822 10.715 2.062 1.00 0.00 H new ATOM 0 HA SER A 32 -13.233 10.049 -0.692 1.00 0.00 H new ATOM 0 HB2 SER A 32 -14.608 11.705 0.541 1.00 0.00 H new ATOM 0 HB3 SER A 32 -13.196 12.712 0.794 1.00 0.00 H new ATOM 0 HG SER A 32 -14.449 13.400 -1.032 1.00 0.00 H new ATOM 577 N GLY A 33 -11.124 10.622 -1.825 1.00 0.00 N ATOM 578 CA GLY A 33 -9.878 10.934 -2.500 1.00 0.00 C ATOM 579 C GLY A 33 -8.804 9.886 -2.270 1.00 0.00 C ATOM 580 O GLY A 33 -7.737 9.941 -2.879 1.00 0.00 O ATOM 0 H GLY A 33 -11.728 9.966 -2.320 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.064 11.028 -3.570 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.515 11.901 -2.153 1.00 0.00 H new ATOM 584 N GLU A 34 -9.084 8.928 -1.389 1.00 0.00 N ATOM 585 CA GLU A 34 -8.129 7.868 -1.087 1.00 0.00 C ATOM 586 C GLU A 34 -8.848 6.579 -0.700 1.00 0.00 C ATOM 587 O GLU A 34 -8.322 5.770 0.065 1.00 0.00 O ATOM 588 CB GLU A 34 -7.194 8.304 0.043 1.00 0.00 C ATOM 589 CG GLU A 34 -7.915 8.622 1.342 1.00 0.00 C ATOM 590 CD GLU A 34 -6.965 9.016 2.455 1.00 0.00 C ATOM 591 OE1 GLU A 34 -6.009 8.257 2.715 1.00 0.00 O ATOM 592 OE2 GLU A 34 -7.177 10.085 3.065 1.00 0.00 O ATOM 0 H GLU A 34 -9.962 8.865 -0.874 1.00 0.00 H new ATOM 0 HA GLU A 34 -7.540 7.677 -1.984 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.466 7.514 0.226 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.636 9.184 -0.278 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -8.624 9.432 1.171 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -8.494 7.753 1.654 1.00 0.00 H new ATOM 599 N THR A 35 -10.052 6.394 -1.232 1.00 0.00 N ATOM 600 CA THR A 35 -10.841 5.201 -0.942 1.00 0.00 C ATOM 601 C THR A 35 -10.252 3.980 -1.640 1.00 0.00 C ATOM 602 O THR A 35 -10.772 3.522 -2.658 1.00 0.00 O ATOM 603 CB THR A 35 -12.296 5.406 -1.374 1.00 0.00 C ATOM 604 OG1 THR A 35 -12.422 6.556 -2.192 1.00 0.00 O ATOM 605 CG2 THR A 35 -13.250 5.565 -0.209 1.00 0.00 C ATOM 0 H THR A 35 -10.503 7.054 -1.866 1.00 0.00 H new ATOM 0 HA THR A 35 -10.815 5.028 0.134 1.00 0.00 H new ATOM 0 HB THR A 35 -12.563 4.502 -1.922 1.00 0.00 H new ATOM 0 HG1 THR A 35 -13.359 6.667 -2.458 1.00 0.00 H new ATOM 0 HG21 THR A 35 -14.263 5.707 -0.585 1.00 0.00 H new ATOM 0 HG22 THR A 35 -13.216 4.671 0.414 1.00 0.00 H new ATOM 0 HG23 THR A 35 -12.959 6.432 0.384 1.00 0.00 H new ATOM 613 N SER A 36 -9.161 3.459 -1.087 1.00 0.00 N ATOM 614 CA SER A 36 -8.498 2.292 -1.657 1.00 0.00 C ATOM 615 C SER A 36 -7.704 1.545 -0.591 1.00 0.00 C ATOM 616 O SER A 36 -7.708 1.926 0.580 1.00 0.00 O ATOM 617 CB SER A 36 -7.570 2.713 -2.798 1.00 0.00 C ATOM 618 OG SER A 36 -6.651 3.703 -2.369 1.00 0.00 O ATOM 0 H SER A 36 -8.718 3.827 -0.245 1.00 0.00 H new ATOM 0 HA SER A 36 -9.265 1.624 -2.049 1.00 0.00 H new ATOM 0 HB2 SER A 36 -7.026 1.844 -3.168 1.00 0.00 H new ATOM 0 HB3 SER A 36 -8.161 3.097 -3.629 1.00 0.00 H new ATOM 0 HG SER A 36 -6.068 3.954 -3.116 1.00 0.00 H new ATOM 624 N ILE A 37 -7.024 0.480 -1.002 1.00 0.00 N ATOM 625 CA ILE A 37 -6.226 -0.319 -0.080 1.00 0.00 C ATOM 626 C ILE A 37 -4.739 -0.015 -0.236 1.00 0.00 C ATOM 627 O ILE A 37 -4.257 0.227 -1.342 1.00 0.00 O ATOM 628 CB ILE A 37 -6.456 -1.826 -0.297 1.00 0.00 C ATOM 629 CG1 ILE A 37 -7.953 -2.135 -0.341 1.00 0.00 C ATOM 630 CG2 ILE A 37 -5.776 -2.629 0.803 1.00 0.00 C ATOM 631 CD1 ILE A 37 -8.686 -1.754 0.927 1.00 0.00 C ATOM 0 H ILE A 37 -7.010 0.150 -1.967 1.00 0.00 H new ATOM 0 HA ILE A 37 -6.546 -0.053 0.927 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.017 -2.111 -1.253 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -8.400 -1.606 -1.183 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -8.091 -3.201 -0.525 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.947 -3.692 0.636 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -4.705 -2.428 0.791 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.188 -2.342 1.771 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -9.743 -2.001 0.825 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -8.265 -2.302 1.770 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -8.579 -0.683 1.101 1.00 0.00 H new ATOM 643 N VAL A 38 -4.017 -0.029 0.880 1.00 0.00 N ATOM 644 CA VAL A 38 -2.585 0.245 0.868 1.00 0.00 C ATOM 645 C VAL A 38 -1.846 -0.650 1.855 1.00 0.00 C ATOM 646 O VAL A 38 -2.440 -1.182 2.792 1.00 0.00 O ATOM 647 CB VAL A 38 -2.293 1.719 1.208 1.00 0.00 C ATOM 648 CG1 VAL A 38 -0.822 2.036 0.987 1.00 0.00 C ATOM 649 CG2 VAL A 38 -3.175 2.644 0.383 1.00 0.00 C ATOM 0 H VAL A 38 -4.401 -0.227 1.804 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.231 0.036 -0.141 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.522 1.882 2.261 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.634 3.081 1.232 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.212 1.398 1.627 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.564 1.856 -0.057 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.954 3.680 0.638 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.981 2.482 -0.677 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.223 2.434 0.597 1.00 0.00 H new ATOM 659 N ILE A 39 -0.544 -0.810 1.640 1.00 0.00 N ATOM 660 CA ILE A 39 0.280 -1.640 2.510 1.00 0.00 C ATOM 661 C ILE A 39 0.539 -0.946 3.844 1.00 0.00 C ATOM 662 O ILE A 39 1.120 0.138 3.887 1.00 0.00 O ATOM 663 CB ILE A 39 1.628 -1.982 1.847 1.00 0.00 C ATOM 664 CG1 ILE A 39 1.401 -2.546 0.444 1.00 0.00 C ATOM 665 CG2 ILE A 39 2.406 -2.972 2.703 1.00 0.00 C ATOM 666 CD1 ILE A 39 1.574 -1.520 -0.655 1.00 0.00 C ATOM 0 H ILE A 39 -0.037 -0.375 0.869 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.272 -2.563 2.686 1.00 0.00 H new ATOM 0 HB ILE A 39 2.216 -1.068 1.761 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.096 -3.368 0.275 1.00 0.00 H new ATOM 0 HG13 ILE A 39 0.395 -2.962 0.387 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.356 -3.203 2.220 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.594 -2.535 3.684 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.826 -3.887 2.819 1.00 0.00 H new ATOM 0 HD11 ILE A 39 1.398 -1.990 -1.623 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.861 -0.709 -0.511 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.588 -1.121 -0.624 1.00 0.00 H new ATOM 678 N SER A 40 0.103 -1.578 4.928 1.00 0.00 N ATOM 679 CA SER A 40 0.286 -1.020 6.263 1.00 0.00 C ATOM 680 C SER A 40 1.654 -1.389 6.828 1.00 0.00 C ATOM 681 O SER A 40 2.425 -0.517 7.232 1.00 0.00 O ATOM 682 CB SER A 40 -0.817 -1.516 7.201 1.00 0.00 C ATOM 683 OG SER A 40 -1.355 -2.746 6.749 1.00 0.00 O ATOM 0 H SER A 40 -0.379 -2.477 4.909 1.00 0.00 H new ATOM 0 HA SER A 40 0.228 0.066 6.185 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.415 -1.639 8.207 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.609 -0.770 7.263 1.00 0.00 H new ATOM 0 HG SER A 40 -2.057 -3.043 7.366 1.00 0.00 H new ATOM 689 N ASP A 41 1.950 -2.683 6.854 1.00 0.00 N ATOM 690 CA ASP A 41 3.226 -3.165 7.371 1.00 0.00 C ATOM 691 C ASP A 41 3.700 -4.388 6.592 1.00 0.00 C ATOM 692 O ASP A 41 2.896 -5.113 6.007 1.00 0.00 O ATOM 693 CB ASP A 41 3.102 -3.507 8.858 1.00 0.00 C ATOM 694 CG ASP A 41 3.634 -2.404 9.752 1.00 0.00 C ATOM 695 OD1 ASP A 41 4.850 -2.406 10.036 1.00 0.00 O ATOM 696 OD2 ASP A 41 2.834 -1.540 10.168 1.00 0.00 O ATOM 0 H ASP A 41 1.324 -3.418 6.523 1.00 0.00 H new ATOM 0 HA ASP A 41 3.963 -2.371 7.250 1.00 0.00 H new ATOM 0 HB2 ASP A 41 2.055 -3.693 9.099 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.645 -4.430 9.062 1.00 0.00 H new ATOM 701 N VAL A 42 5.010 -4.610 6.588 1.00 0.00 N ATOM 702 CA VAL A 42 5.589 -5.744 5.879 1.00 0.00 C ATOM 703 C VAL A 42 6.563 -6.513 6.766 1.00 0.00 C ATOM 704 O VAL A 42 7.364 -5.920 7.487 1.00 0.00 O ATOM 705 CB VAL A 42 6.322 -5.295 4.601 1.00 0.00 C ATOM 706 CG1 VAL A 42 5.333 -4.754 3.581 1.00 0.00 C ATOM 707 CG2 VAL A 42 7.383 -4.255 4.929 1.00 0.00 C ATOM 0 H VAL A 42 5.690 -4.020 7.067 1.00 0.00 H new ATOM 0 HA VAL A 42 4.761 -6.397 5.604 1.00 0.00 H new ATOM 0 HB VAL A 42 6.820 -6.162 4.167 1.00 0.00 H new ATOM 0 HG11 VAL A 42 5.869 -4.442 2.685 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.615 -5.532 3.322 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.805 -3.900 4.004 1.00 0.00 H new ATOM 0 HG21 VAL A 42 7.890 -3.951 4.013 1.00 0.00 H new ATOM 0 HG22 VAL A 42 6.911 -3.386 5.389 1.00 0.00 H new ATOM 0 HG23 VAL A 42 8.109 -4.682 5.621 1.00 0.00 H new ATOM 717 N LEU A 43 6.486 -7.838 6.705 1.00 0.00 N ATOM 718 CA LEU A 43 7.361 -8.693 7.500 1.00 0.00 C ATOM 719 C LEU A 43 8.824 -8.471 7.128 1.00 0.00 C ATOM 720 O LEU A 43 9.719 -8.667 7.950 1.00 0.00 O ATOM 721 CB LEU A 43 6.993 -10.166 7.306 1.00 0.00 C ATOM 722 CG LEU A 43 6.604 -10.559 5.875 1.00 0.00 C ATOM 723 CD1 LEU A 43 7.535 -11.638 5.339 1.00 0.00 C ATOM 724 CD2 LEU A 43 5.155 -11.026 5.821 1.00 0.00 C ATOM 0 H LEU A 43 5.827 -8.344 6.113 1.00 0.00 H new ATOM 0 HA LEU A 43 7.225 -8.429 8.549 1.00 0.00 H new ATOM 0 HB2 LEU A 43 7.839 -10.779 7.617 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.163 -10.407 7.970 1.00 0.00 H new ATOM 0 HG LEU A 43 6.704 -9.677 5.242 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.240 -11.901 4.323 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.559 -11.265 5.335 1.00 0.00 H new ATOM 0 HD13 LEU A 43 7.473 -12.521 5.975 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.899 -11.300 4.798 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.027 -11.891 6.471 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.501 -10.221 6.156 1.00 0.00 H new ATOM 736 N LYS A 44 9.059 -8.065 5.884 1.00 0.00 N ATOM 737 CA LYS A 44 10.414 -7.817 5.404 1.00 0.00 C ATOM 738 C LYS A 44 11.251 -9.092 5.457 1.00 0.00 C ATOM 739 O LYS A 44 12.473 -9.037 5.603 1.00 0.00 O ATOM 740 CB LYS A 44 11.081 -6.720 6.234 1.00 0.00 C ATOM 741 CG LYS A 44 10.722 -5.312 5.784 1.00 0.00 C ATOM 742 CD LYS A 44 11.868 -4.657 5.030 1.00 0.00 C ATOM 743 CE LYS A 44 12.747 -3.836 5.960 1.00 0.00 C ATOM 744 NZ LYS A 44 12.036 -2.639 6.484 1.00 0.00 N ATOM 0 H LYS A 44 8.329 -7.901 5.191 1.00 0.00 H new ATOM 0 HA LYS A 44 10.350 -7.488 4.367 1.00 0.00 H new ATOM 0 HB2 LYS A 44 10.795 -6.842 7.279 1.00 0.00 H new ATOM 0 HB3 LYS A 44 12.163 -6.844 6.183 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.839 -5.347 5.146 1.00 0.00 H new ATOM 0 HG3 LYS A 44 10.464 -4.706 6.653 1.00 0.00 H new ATOM 0 HD2 LYS A 44 12.469 -5.424 4.541 1.00 0.00 H new ATOM 0 HD3 LYS A 44 11.469 -4.016 4.244 1.00 0.00 H new ATOM 0 HE2 LYS A 44 13.073 -4.458 6.794 1.00 0.00 H new ATOM 0 HE3 LYS A 44 13.644 -3.521 5.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 12.730 -1.909 6.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 11.398 -2.266 5.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 11.483 -2.904 7.324 1.00 0.00 H new ATOM 758 N GLY A 45 10.588 -10.238 5.337 1.00 0.00 N ATOM 759 CA GLY A 45 11.290 -11.507 5.374 1.00 0.00 C ATOM 760 C GLY A 45 10.719 -12.522 4.400 1.00 0.00 C ATOM 761 O GLY A 45 11.036 -13.710 4.478 1.00 0.00 O ATOM 0 H GLY A 45 9.578 -10.310 5.215 1.00 0.00 H new ATOM 0 HA2 GLY A 45 12.343 -11.342 5.144 1.00 0.00 H new ATOM 0 HA3 GLY A 45 11.244 -11.914 6.384 1.00 0.00 H new ATOM 765 N GLY A 46 9.877 -12.060 3.480 1.00 0.00 N ATOM 766 CA GLY A 46 9.280 -12.955 2.505 1.00 0.00 C ATOM 767 C GLY A 46 9.451 -12.459 1.082 1.00 0.00 C ATOM 768 O GLY A 46 10.348 -11.662 0.805 1.00 0.00 O ATOM 0 H GLY A 46 9.598 -11.083 3.392 1.00 0.00 H new ATOM 0 HA2 GLY A 46 9.731 -13.943 2.599 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.218 -13.068 2.722 1.00 0.00 H new ATOM 772 N PRO A 47 8.599 -12.914 0.147 1.00 0.00 N ATOM 773 CA PRO A 47 8.672 -12.500 -1.257 1.00 0.00 C ATOM 774 C PRO A 47 8.344 -11.022 -1.440 1.00 0.00 C ATOM 775 O PRO A 47 8.824 -10.381 -2.376 1.00 0.00 O ATOM 776 CB PRO A 47 7.618 -13.372 -1.946 1.00 0.00 C ATOM 777 CG PRO A 47 6.671 -13.756 -0.862 1.00 0.00 C ATOM 778 CD PRO A 47 7.498 -13.865 0.388 1.00 0.00 C ATOM 0 HA PRO A 47 9.675 -12.624 -1.665 1.00 0.00 H new ATOM 0 HB2 PRO A 47 7.109 -12.824 -2.739 1.00 0.00 H new ATOM 0 HB3 PRO A 47 8.071 -14.251 -2.405 1.00 0.00 H new ATOM 0 HG2 PRO A 47 5.886 -13.009 -0.747 1.00 0.00 H new ATOM 0 HG3 PRO A 47 6.180 -14.702 -1.089 1.00 0.00 H new ATOM 0 HD2 PRO A 47 6.923 -13.599 1.275 1.00 0.00 H new ATOM 0 HD3 PRO A 47 7.868 -14.879 0.539 1.00 0.00 H new ATOM 786 N ALA A 48 7.528 -10.488 -0.539 1.00 0.00 N ATOM 787 CA ALA A 48 7.137 -9.084 -0.598 1.00 0.00 C ATOM 788 C ALA A 48 7.768 -8.292 0.542 1.00 0.00 C ATOM 789 O ALA A 48 7.183 -7.333 1.044 1.00 0.00 O ATOM 790 CB ALA A 48 5.621 -8.957 -0.556 1.00 0.00 C ATOM 0 H ALA A 48 7.124 -11.006 0.241 1.00 0.00 H new ATOM 0 HA ALA A 48 7.499 -8.669 -1.539 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.343 -7.904 -0.601 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.188 -9.483 -1.407 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.245 -9.393 0.370 1.00 0.00 H new ATOM 796 N GLU A 49 8.967 -8.701 0.946 1.00 0.00 N ATOM 797 CA GLU A 49 9.680 -8.032 2.030 1.00 0.00 C ATOM 798 C GLU A 49 9.884 -6.552 1.720 1.00 0.00 C ATOM 799 O GLU A 49 9.766 -5.702 2.602 1.00 0.00 O ATOM 800 CB GLU A 49 11.033 -8.705 2.268 1.00 0.00 C ATOM 801 CG GLU A 49 11.800 -9.001 0.989 1.00 0.00 C ATOM 802 CD GLU A 49 13.137 -8.288 0.931 1.00 0.00 C ATOM 803 OE1 GLU A 49 13.790 -8.163 1.989 1.00 0.00 O ATOM 804 OE2 GLU A 49 13.532 -7.855 -0.171 1.00 0.00 O ATOM 0 H GLU A 49 9.466 -9.492 0.539 1.00 0.00 H new ATOM 0 HA GLU A 49 9.075 -8.114 2.933 1.00 0.00 H new ATOM 0 HB2 GLU A 49 11.641 -8.064 2.906 1.00 0.00 H new ATOM 0 HB3 GLU A 49 10.875 -9.637 2.811 1.00 0.00 H new ATOM 0 HG2 GLU A 49 11.962 -10.076 0.908 1.00 0.00 H new ATOM 0 HG3 GLU A 49 11.197 -8.704 0.131 1.00 0.00 H new ATOM 811 N GLY A 50 10.191 -6.251 0.463 1.00 0.00 N ATOM 812 CA GLY A 50 10.406 -4.872 0.063 1.00 0.00 C ATOM 813 C GLY A 50 9.882 -4.583 -1.329 1.00 0.00 C ATOM 814 O GLY A 50 10.401 -3.711 -2.026 1.00 0.00 O ATOM 0 H GLY A 50 10.295 -6.936 -0.286 1.00 0.00 H new ATOM 0 HA2 GLY A 50 9.916 -4.210 0.777 1.00 0.00 H new ATOM 0 HA3 GLY A 50 11.472 -4.648 0.100 1.00 0.00 H new ATOM 818 N GLN A 51 8.850 -5.315 -1.735 1.00 0.00 N ATOM 819 CA GLN A 51 8.255 -5.132 -3.054 1.00 0.00 C ATOM 820 C GLN A 51 7.012 -4.251 -2.970 1.00 0.00 C ATOM 821 O GLN A 51 6.773 -3.413 -3.840 1.00 0.00 O ATOM 822 CB GLN A 51 7.899 -6.488 -3.669 1.00 0.00 C ATOM 823 CG GLN A 51 8.799 -6.884 -4.827 1.00 0.00 C ATOM 824 CD GLN A 51 8.302 -6.354 -6.158 1.00 0.00 C ATOM 825 OE1 GLN A 51 7.100 -6.203 -6.370 1.00 0.00 O ATOM 826 NE2 GLN A 51 9.230 -6.066 -7.064 1.00 0.00 N ATOM 0 H GLN A 51 8.408 -6.040 -1.170 1.00 0.00 H new ATOM 0 HA GLN A 51 8.986 -4.636 -3.692 1.00 0.00 H new ATOM 0 HB2 GLN A 51 7.956 -7.255 -2.896 1.00 0.00 H new ATOM 0 HB3 GLN A 51 6.866 -6.461 -4.015 1.00 0.00 H new ATOM 0 HG2 GLN A 51 9.806 -6.510 -4.644 1.00 0.00 H new ATOM 0 HG3 GLN A 51 8.867 -7.971 -4.875 1.00 0.00 H new ATOM 0 HE21 GLN A 51 10.216 -6.207 -6.846 1.00 0.00 H new ATOM 0 HE22 GLN A 51 8.956 -5.704 -7.978 1.00 0.00 H new ATOM 835 N LEU A 52 6.223 -4.448 -1.919 1.00 0.00 N ATOM 836 CA LEU A 52 5.005 -3.673 -1.720 1.00 0.00 C ATOM 837 C LEU A 52 5.048 -2.917 -0.396 1.00 0.00 C ATOM 838 O LEU A 52 5.257 -3.512 0.662 1.00 0.00 O ATOM 839 CB LEU A 52 3.781 -4.592 -1.760 1.00 0.00 C ATOM 840 CG LEU A 52 3.567 -5.324 -3.086 1.00 0.00 C ATOM 841 CD1 LEU A 52 2.749 -6.588 -2.875 1.00 0.00 C ATOM 842 CD2 LEU A 52 2.889 -4.408 -4.095 1.00 0.00 C ATOM 0 H LEU A 52 6.406 -5.139 -1.191 1.00 0.00 H new ATOM 0 HA LEU A 52 4.931 -2.945 -2.527 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.874 -5.331 -0.965 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.893 -3.999 -1.542 1.00 0.00 H new ATOM 0 HG LEU A 52 4.541 -5.611 -3.482 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.608 -7.094 -3.830 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.274 -7.251 -2.187 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.777 -6.327 -2.456 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.744 -4.944 -5.033 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.922 -4.090 -3.705 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.515 -3.533 -4.270 1.00 0.00 H new ATOM 854 N GLN A 53 4.853 -1.604 -0.461 1.00 0.00 N ATOM 855 CA GLN A 53 4.872 -0.767 0.734 1.00 0.00 C ATOM 856 C GLN A 53 3.942 0.433 0.578 1.00 0.00 C ATOM 857 O GLN A 53 3.383 0.663 -0.495 1.00 0.00 O ATOM 858 CB GLN A 53 6.296 -0.289 1.024 1.00 0.00 C ATOM 859 CG GLN A 53 6.874 0.601 -0.064 1.00 0.00 C ATOM 860 CD GLN A 53 8.041 -0.044 -0.789 1.00 0.00 C ATOM 861 OE1 GLN A 53 9.190 0.075 -0.367 1.00 0.00 O ATOM 862 NE2 GLN A 53 7.748 -0.732 -1.886 1.00 0.00 N ATOM 0 H GLN A 53 4.680 -1.096 -1.329 1.00 0.00 H new ATOM 0 HA GLN A 53 4.519 -1.368 1.572 1.00 0.00 H new ATOM 0 HB2 GLN A 53 6.302 0.256 1.968 1.00 0.00 H new ATOM 0 HB3 GLN A 53 6.942 -1.157 1.153 1.00 0.00 H new ATOM 0 HG2 GLN A 53 6.092 0.842 -0.784 1.00 0.00 H new ATOM 0 HG3 GLN A 53 7.201 1.542 0.378 1.00 0.00 H new ATOM 0 HE21 GLN A 53 6.780 -0.804 -2.199 1.00 0.00 H new ATOM 0 HE22 GLN A 53 8.491 -1.188 -2.415 1.00 0.00 H new ATOM 871 N GLU A 54 3.782 1.194 1.656 1.00 0.00 N ATOM 872 CA GLU A 54 2.919 2.373 1.645 1.00 0.00 C ATOM 873 C GLU A 54 3.281 3.310 0.497 1.00 0.00 C ATOM 874 O GLU A 54 2.413 3.966 -0.079 1.00 0.00 O ATOM 875 CB GLU A 54 3.021 3.118 2.977 1.00 0.00 C ATOM 876 CG GLU A 54 4.450 3.427 3.393 1.00 0.00 C ATOM 877 CD GLU A 54 4.539 4.612 4.335 1.00 0.00 C ATOM 878 OE1 GLU A 54 3.792 5.592 4.128 1.00 0.00 O ATOM 879 OE2 GLU A 54 5.355 4.560 5.279 1.00 0.00 O ATOM 0 H GLU A 54 4.239 1.016 2.550 1.00 0.00 H new ATOM 0 HA GLU A 54 1.893 2.035 1.501 1.00 0.00 H new ATOM 0 HB2 GLU A 54 2.462 4.051 2.906 1.00 0.00 H new ATOM 0 HB3 GLU A 54 2.546 2.521 3.755 1.00 0.00 H new ATOM 0 HG2 GLU A 54 4.882 2.550 3.876 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.048 3.628 2.504 1.00 0.00 H new ATOM 886 N ASN A 55 4.567 3.367 0.166 1.00 0.00 N ATOM 887 CA ASN A 55 5.039 4.223 -0.917 1.00 0.00 C ATOM 888 C ASN A 55 4.371 3.849 -2.236 1.00 0.00 C ATOM 889 O ASN A 55 4.180 4.695 -3.109 1.00 0.00 O ATOM 890 CB ASN A 55 6.559 4.121 -1.053 1.00 0.00 C ATOM 891 CG ASN A 55 7.283 5.219 -0.298 1.00 0.00 C ATOM 892 OD1 ASN A 55 6.662 6.160 0.197 1.00 0.00 O ATOM 893 ND2 ASN A 55 8.601 5.103 -0.205 1.00 0.00 N ATOM 0 H ASN A 55 5.300 2.832 0.631 1.00 0.00 H new ATOM 0 HA ASN A 55 4.773 5.252 -0.675 1.00 0.00 H new ATOM 0 HB2 ASN A 55 6.890 3.151 -0.683 1.00 0.00 H new ATOM 0 HB3 ASN A 55 6.831 4.169 -2.108 1.00 0.00 H new ATOM 0 HD21 ASN A 55 9.141 5.811 0.292 1.00 0.00 H new ATOM 0 HD22 ASN A 55 9.074 4.306 -0.631 1.00 0.00 H new ATOM 900 N ASP A 56 4.017 2.574 -2.374 1.00 0.00 N ATOM 901 CA ASP A 56 3.369 2.088 -3.587 1.00 0.00 C ATOM 902 C ASP A 56 1.896 1.780 -3.330 1.00 0.00 C ATOM 903 O ASP A 56 1.556 0.726 -2.793 1.00 0.00 O ATOM 904 CB ASP A 56 4.081 0.836 -4.104 1.00 0.00 C ATOM 905 CG ASP A 56 5.556 1.075 -4.363 1.00 0.00 C ATOM 906 OD1 ASP A 56 6.180 1.830 -3.589 1.00 0.00 O ATOM 907 OD2 ASP A 56 6.086 0.505 -5.340 1.00 0.00 O ATOM 0 H ASP A 56 4.168 1.860 -1.661 1.00 0.00 H new ATOM 0 HA ASP A 56 3.432 2.871 -4.342 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.968 0.031 -3.378 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.602 0.503 -5.025 1.00 0.00 H new ATOM 912 N ARG A 57 1.027 2.708 -3.720 1.00 0.00 N ATOM 913 CA ARG A 57 -0.410 2.536 -3.533 1.00 0.00 C ATOM 914 C ARG A 57 -0.927 1.356 -4.348 1.00 0.00 C ATOM 915 O ARG A 57 -0.507 1.143 -5.485 1.00 0.00 O ATOM 916 CB ARG A 57 -1.153 3.812 -3.934 1.00 0.00 C ATOM 917 CG ARG A 57 -1.210 4.856 -2.829 1.00 0.00 C ATOM 918 CD ARG A 57 -0.830 6.236 -3.341 1.00 0.00 C ATOM 919 NE ARG A 57 -0.567 7.172 -2.251 1.00 0.00 N ATOM 920 CZ ARG A 57 0.526 7.139 -1.493 1.00 0.00 C ATOM 921 NH1 ARG A 57 1.461 6.222 -1.704 1.00 0.00 N ATOM 922 NH2 ARG A 57 0.685 8.027 -0.521 1.00 0.00 N ATOM 0 H ARG A 57 1.292 3.586 -4.167 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.593 2.333 -2.478 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -0.667 4.246 -4.808 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -2.169 3.553 -4.230 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -2.215 4.887 -2.409 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -0.536 4.569 -2.022 1.00 0.00 H new ATOM 0 HD2 ARG A 57 0.055 6.157 -3.972 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -1.634 6.625 -3.966 1.00 0.00 H new ATOM 0 HE ARG A 57 -1.262 7.893 -2.060 1.00 0.00 H new ATOM 0 HH11 ARG A 57 1.344 5.537 -2.451 1.00 0.00 H new ATOM 0 HH12 ARG A 57 2.297 6.202 -1.120 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -0.030 8.735 -0.355 1.00 0.00 H new ATOM 0 HH22 ARG A 57 1.523 8.002 0.060 1.00 0.00 H new ATOM 936 N VAL A 58 -1.842 0.591 -3.760 1.00 0.00 N ATOM 937 CA VAL A 58 -2.416 -0.569 -4.433 1.00 0.00 C ATOM 938 C VAL A 58 -3.637 -0.179 -5.258 1.00 0.00 C ATOM 939 O VAL A 58 -4.538 0.502 -4.769 1.00 0.00 O ATOM 940 CB VAL A 58 -2.819 -1.660 -3.425 1.00 0.00 C ATOM 941 CG1 VAL A 58 -3.208 -2.940 -4.151 1.00 0.00 C ATOM 942 CG2 VAL A 58 -1.691 -1.920 -2.438 1.00 0.00 C ATOM 0 H VAL A 58 -2.202 0.754 -2.819 1.00 0.00 H new ATOM 0 HA VAL A 58 -1.645 -0.963 -5.095 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.686 -1.309 -2.865 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.490 -3.700 -3.422 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.051 -2.741 -4.813 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.362 -3.297 -4.738 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -1.995 -2.694 -1.734 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.803 -2.249 -2.978 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -1.465 -1.003 -1.894 1.00 0.00 H new ATOM 952 N ALA A 59 -3.661 -0.617 -6.514 1.00 0.00 N ATOM 953 CA ALA A 59 -4.771 -0.315 -7.407 1.00 0.00 C ATOM 954 C ALA A 59 -5.540 -1.580 -7.774 1.00 0.00 C ATOM 955 O ALA A 59 -6.763 -1.556 -7.915 1.00 0.00 O ATOM 956 CB ALA A 59 -4.266 0.383 -8.662 1.00 0.00 C ATOM 0 H ALA A 59 -2.923 -1.182 -6.934 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.454 0.354 -6.884 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.107 0.602 -9.320 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.769 1.313 -8.386 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.560 -0.266 -9.180 1.00 0.00 H new ATOM 962 N MET A 60 -4.816 -2.683 -7.930 1.00 0.00 N ATOM 963 CA MET A 60 -5.431 -3.957 -8.281 1.00 0.00 C ATOM 964 C MET A 60 -4.638 -5.127 -7.707 1.00 0.00 C ATOM 965 O MET A 60 -3.420 -5.049 -7.553 1.00 0.00 O ATOM 966 CB MET A 60 -5.533 -4.093 -9.802 1.00 0.00 C ATOM 967 CG MET A 60 -6.525 -5.152 -10.254 1.00 0.00 C ATOM 968 SD MET A 60 -6.384 -5.532 -12.010 1.00 0.00 S ATOM 969 CE MET A 60 -4.814 -6.395 -12.044 1.00 0.00 C ATOM 0 H MET A 60 -3.803 -2.720 -7.819 1.00 0.00 H new ATOM 0 HA MET A 60 -6.432 -3.978 -7.850 1.00 0.00 H new ATOM 0 HB2 MET A 60 -5.823 -3.131 -10.226 1.00 0.00 H new ATOM 0 HB3 MET A 60 -4.549 -4.334 -10.203 1.00 0.00 H new ATOM 0 HG2 MET A 60 -6.367 -6.062 -9.676 1.00 0.00 H new ATOM 0 HG3 MET A 60 -7.538 -4.810 -10.041 1.00 0.00 H new ATOM 0 HE1 MET A 60 -4.872 -7.229 -12.743 1.00 0.00 H new ATOM 0 HE2 MET A 60 -4.029 -5.709 -12.362 1.00 0.00 H new ATOM 0 HE3 MET A 60 -4.585 -6.773 -11.048 1.00 0.00 H new ATOM 979 N VAL A 61 -5.341 -6.211 -7.394 1.00 0.00 N ATOM 980 CA VAL A 61 -4.708 -7.402 -6.839 1.00 0.00 C ATOM 981 C VAL A 61 -5.287 -8.666 -7.463 1.00 0.00 C ATOM 982 O VAL A 61 -6.483 -8.933 -7.355 1.00 0.00 O ATOM 983 CB VAL A 61 -4.884 -7.475 -5.310 1.00 0.00 C ATOM 984 CG1 VAL A 61 -4.032 -6.419 -4.623 1.00 0.00 C ATOM 985 CG2 VAL A 61 -6.350 -7.319 -4.933 1.00 0.00 C ATOM 0 H VAL A 61 -6.351 -6.289 -7.516 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.645 -7.333 -7.071 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.549 -8.455 -4.970 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.170 -6.486 -3.544 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.982 -6.584 -4.866 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.333 -5.429 -4.966 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -6.455 -7.373 -3.849 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.716 -6.354 -5.285 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -6.931 -8.118 -5.394 1.00 0.00 H new ATOM 995 N ASN A 62 -4.429 -9.442 -8.118 1.00 0.00 N ATOM 996 CA ASN A 62 -4.855 -10.680 -8.763 1.00 0.00 C ATOM 997 C ASN A 62 -5.980 -10.419 -9.761 1.00 0.00 C ATOM 998 O ASN A 62 -6.851 -11.265 -9.964 1.00 0.00 O ATOM 999 CB ASN A 62 -5.315 -11.695 -7.714 1.00 0.00 C ATOM 1000 CG ASN A 62 -5.164 -13.126 -8.191 1.00 0.00 C ATOM 1001 OD1 ASN A 62 -4.109 -13.793 -7.736 1.00 0.00 O flip ATOM 1002 ND2 ASN A 62 -5.984 -13.627 -8.959 1.00 0.00 N flip ATOM 0 H ASN A 62 -3.435 -9.236 -8.216 1.00 0.00 H new ATOM 0 HA ASN A 62 -4.002 -11.087 -9.305 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -4.737 -11.556 -6.800 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -6.359 -11.507 -7.463 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -6.780 -13.078 -9.284 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -5.868 -14.591 -9.271 1.00 0.00 H new ATOM 1009 N GLY A 63 -5.953 -9.244 -10.382 1.00 0.00 N ATOM 1010 CA GLY A 63 -6.975 -8.895 -11.353 1.00 0.00 C ATOM 1011 C GLY A 63 -8.198 -8.253 -10.722 1.00 0.00 C ATOM 1012 O GLY A 63 -9.182 -7.979 -11.410 1.00 0.00 O ATOM 0 H GLY A 63 -5.243 -8.528 -10.231 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.551 -8.211 -12.089 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.279 -9.793 -11.891 1.00 0.00 H new ATOM 1016 N VAL A 64 -8.143 -8.012 -9.414 1.00 0.00 N ATOM 1017 CA VAL A 64 -9.262 -7.401 -8.705 1.00 0.00 C ATOM 1018 C VAL A 64 -8.928 -5.977 -8.272 1.00 0.00 C ATOM 1019 O VAL A 64 -7.873 -5.725 -7.691 1.00 0.00 O ATOM 1020 CB VAL A 64 -9.657 -8.221 -7.464 1.00 0.00 C ATOM 1021 CG1 VAL A 64 -10.942 -7.684 -6.854 1.00 0.00 C ATOM 1022 CG2 VAL A 64 -9.803 -9.693 -7.820 1.00 0.00 C ATOM 0 H VAL A 64 -7.338 -8.230 -8.826 1.00 0.00 H new ATOM 0 HA VAL A 64 -10.101 -7.380 -9.400 1.00 0.00 H new ATOM 0 HB VAL A 64 -8.863 -8.127 -6.723 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -11.204 -8.277 -5.978 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -10.798 -6.645 -6.559 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -11.746 -7.745 -7.587 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -10.083 -10.257 -6.930 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -10.576 -9.809 -8.580 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -8.856 -10.070 -8.205 1.00 0.00 H new ATOM 1032 N SER A 65 -9.835 -5.049 -8.560 1.00 0.00 N ATOM 1033 CA SER A 65 -9.636 -3.649 -8.198 1.00 0.00 C ATOM 1034 C SER A 65 -9.486 -3.494 -6.688 1.00 0.00 C ATOM 1035 O SER A 65 -10.143 -4.191 -5.914 1.00 0.00 O ATOM 1036 CB SER A 65 -10.808 -2.801 -8.699 1.00 0.00 C ATOM 1037 OG SER A 65 -10.451 -2.070 -9.859 1.00 0.00 O ATOM 0 H SER A 65 -10.713 -5.240 -9.042 1.00 0.00 H new ATOM 0 HA SER A 65 -8.718 -3.302 -8.672 1.00 0.00 H new ATOM 0 HB2 SER A 65 -11.659 -3.446 -8.919 1.00 0.00 H new ATOM 0 HB3 SER A 65 -11.124 -2.113 -7.915 1.00 0.00 H new ATOM 0 HG SER A 65 -11.217 -1.538 -10.159 1.00 0.00 H new ATOM 1043 N MET A 66 -8.615 -2.579 -6.275 1.00 0.00 N ATOM 1044 CA MET A 66 -8.378 -2.334 -4.856 1.00 0.00 C ATOM 1045 C MET A 66 -8.617 -0.868 -4.508 1.00 0.00 C ATOM 1046 O MET A 66 -7.901 -0.289 -3.690 1.00 0.00 O ATOM 1047 CB MET A 66 -6.949 -2.733 -4.480 1.00 0.00 C ATOM 1048 CG MET A 66 -6.780 -4.221 -4.224 1.00 0.00 C ATOM 1049 SD MET A 66 -7.278 -4.700 -2.560 1.00 0.00 S ATOM 1050 CE MET A 66 -5.683 -4.996 -1.802 1.00 0.00 C ATOM 0 H MET A 66 -8.062 -1.995 -6.902 1.00 0.00 H new ATOM 0 HA MET A 66 -9.080 -2.942 -4.286 1.00 0.00 H new ATOM 0 HB2 MET A 66 -6.274 -2.432 -5.281 1.00 0.00 H new ATOM 0 HB3 MET A 66 -6.650 -2.183 -3.588 1.00 0.00 H new ATOM 0 HG2 MET A 66 -7.370 -4.780 -4.951 1.00 0.00 H new ATOM 0 HG3 MET A 66 -5.737 -4.496 -4.380 1.00 0.00 H new ATOM 0 HE1 MET A 66 -5.788 -4.986 -0.717 1.00 0.00 H new ATOM 0 HE2 MET A 66 -5.303 -5.967 -2.121 1.00 0.00 H new ATOM 0 HE3 MET A 66 -4.985 -4.216 -2.106 1.00 0.00 H new ATOM 1060 N ASP A 67 -9.629 -0.274 -5.131 1.00 0.00 N ATOM 1061 CA ASP A 67 -9.963 1.125 -4.885 1.00 0.00 C ATOM 1062 C ASP A 67 -11.383 1.264 -4.346 1.00 0.00 C ATOM 1063 O ASP A 67 -11.999 2.323 -4.462 1.00 0.00 O ATOM 1064 CB ASP A 67 -9.811 1.940 -6.171 1.00 0.00 C ATOM 1065 CG ASP A 67 -10.672 1.405 -7.298 1.00 0.00 C ATOM 1066 OD1 ASP A 67 -11.078 0.227 -7.228 1.00 0.00 O ATOM 1067 OD2 ASP A 67 -10.938 2.165 -8.253 1.00 0.00 O ATOM 0 H ASP A 67 -10.232 -0.739 -5.810 1.00 0.00 H new ATOM 0 HA ASP A 67 -9.273 1.509 -4.134 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -10.079 2.978 -5.974 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -8.766 1.934 -6.481 1.00 0.00 H new ATOM 1072 N ASN A 68 -11.901 0.189 -3.754 1.00 0.00 N ATOM 1073 CA ASN A 68 -13.251 0.194 -3.196 1.00 0.00 C ATOM 1074 C ASN A 68 -13.643 -1.202 -2.716 1.00 0.00 C ATOM 1075 O ASN A 68 -14.726 -1.698 -3.031 1.00 0.00 O ATOM 1076 CB ASN A 68 -14.258 0.698 -4.237 1.00 0.00 C ATOM 1077 CG ASN A 68 -15.081 1.866 -3.727 1.00 0.00 C ATOM 1078 OD1 ASN A 68 -14.605 2.673 -2.929 1.00 0.00 O ATOM 1079 ND2 ASN A 68 -16.323 1.959 -4.186 1.00 0.00 N ATOM 0 H ASN A 68 -11.406 -0.696 -3.649 1.00 0.00 H new ATOM 0 HA ASN A 68 -13.263 0.869 -2.340 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -13.725 0.999 -5.139 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -14.925 -0.117 -4.518 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -16.925 2.723 -3.878 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -16.676 1.267 -4.847 1.00 0.00 H new ATOM 1086 N VAL A 69 -12.756 -1.833 -1.953 1.00 0.00 N ATOM 1087 CA VAL A 69 -13.013 -3.172 -1.435 1.00 0.00 C ATOM 1088 C VAL A 69 -12.705 -3.261 0.057 1.00 0.00 C ATOM 1089 O VAL A 69 -11.871 -2.519 0.576 1.00 0.00 O ATOM 1090 CB VAL A 69 -12.180 -4.230 -2.181 1.00 0.00 C ATOM 1091 CG1 VAL A 69 -12.688 -4.404 -3.604 1.00 0.00 C ATOM 1092 CG2 VAL A 69 -10.706 -3.852 -2.175 1.00 0.00 C ATOM 0 H VAL A 69 -11.855 -1.440 -1.680 1.00 0.00 H new ATOM 0 HA VAL A 69 -14.073 -3.371 -1.594 1.00 0.00 H new ATOM 0 HB VAL A 69 -12.288 -5.183 -1.662 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -12.087 -5.156 -4.116 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -13.729 -4.726 -3.582 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -12.612 -3.456 -4.136 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -10.133 -4.612 -2.707 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -10.576 -2.888 -2.667 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -10.352 -3.785 -1.146 1.00 0.00 H new ATOM 1102 N GLU A 70 -13.385 -4.178 0.737 1.00 0.00 N ATOM 1103 CA GLU A 70 -13.189 -4.374 2.169 1.00 0.00 C ATOM 1104 C GLU A 70 -11.812 -4.962 2.455 1.00 0.00 C ATOM 1105 O GLU A 70 -11.237 -5.657 1.617 1.00 0.00 O ATOM 1106 CB GLU A 70 -14.267 -5.303 2.730 1.00 0.00 C ATOM 1107 CG GLU A 70 -14.459 -5.171 4.234 1.00 0.00 C ATOM 1108 CD GLU A 70 -15.635 -5.980 4.745 1.00 0.00 C ATOM 1109 OE1 GLU A 70 -16.770 -5.730 4.288 1.00 0.00 O ATOM 1110 OE2 GLU A 70 -15.421 -6.863 5.601 1.00 0.00 O ATOM 0 H GLU A 70 -14.078 -4.798 0.319 1.00 0.00 H new ATOM 0 HA GLU A 70 -13.262 -3.400 2.654 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -15.213 -5.092 2.231 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -14.005 -6.334 2.494 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -13.551 -5.496 4.742 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -14.608 -4.121 4.487 1.00 0.00 H new ATOM 1117 N HIS A 71 -11.293 -4.687 3.646 1.00 0.00 N ATOM 1118 CA HIS A 71 -9.987 -5.198 4.047 1.00 0.00 C ATOM 1119 C HIS A 71 -9.965 -6.723 3.978 1.00 0.00 C ATOM 1120 O HIS A 71 -9.007 -7.320 3.485 1.00 0.00 O ATOM 1121 CB HIS A 71 -9.651 -4.727 5.467 1.00 0.00 C ATOM 1122 CG HIS A 71 -8.389 -5.318 6.020 1.00 0.00 C ATOM 1123 ND1 HIS A 71 -7.480 -6.014 5.250 1.00 0.00 N ATOM 1124 CD2 HIS A 71 -7.890 -5.315 7.278 1.00 0.00 C ATOM 1125 CE1 HIS A 71 -6.477 -6.414 6.012 1.00 0.00 C ATOM 1126 NE2 HIS A 71 -6.703 -6.003 7.246 1.00 0.00 N ATOM 0 H HIS A 71 -11.756 -4.113 4.351 1.00 0.00 H new ATOM 0 HA HIS A 71 -9.236 -4.810 3.359 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -9.563 -3.641 5.468 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -10.479 -4.980 6.129 1.00 0.00 H new ATOM 0 HD1 HIS A 71 -7.568 -6.192 4.250 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -8.342 -4.857 8.145 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -5.619 -6.980 5.682 1.00 0.00 H new ATOM 1135 N ALA A 72 -11.032 -7.345 4.469 1.00 0.00 N ATOM 1136 CA ALA A 72 -11.142 -8.799 4.461 1.00 0.00 C ATOM 1137 C ALA A 72 -11.280 -9.328 3.038 1.00 0.00 C ATOM 1138 O ALA A 72 -10.725 -10.373 2.697 1.00 0.00 O ATOM 1139 CB ALA A 72 -12.326 -9.242 5.307 1.00 0.00 C ATOM 0 H ALA A 72 -11.833 -6.864 4.878 1.00 0.00 H new ATOM 0 HA ALA A 72 -10.229 -9.212 4.889 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -12.397 -10.330 5.293 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -12.188 -8.901 6.333 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -13.243 -8.813 4.902 1.00 0.00 H new ATOM 1145 N PHE A 73 -12.022 -8.599 2.210 1.00 0.00 N ATOM 1146 CA PHE A 73 -12.230 -8.994 0.822 1.00 0.00 C ATOM 1147 C PHE A 73 -10.934 -8.879 0.027 1.00 0.00 C ATOM 1148 O PHE A 73 -10.676 -9.672 -0.878 1.00 0.00 O ATOM 1149 CB PHE A 73 -13.319 -8.129 0.182 1.00 0.00 C ATOM 1150 CG PHE A 73 -14.464 -8.922 -0.378 1.00 0.00 C ATOM 1151 CD1 PHE A 73 -14.234 -10.013 -1.200 1.00 0.00 C ATOM 1152 CD2 PHE A 73 -15.772 -8.575 -0.082 1.00 0.00 C ATOM 1153 CE1 PHE A 73 -15.288 -10.744 -1.716 1.00 0.00 C ATOM 1154 CE2 PHE A 73 -16.830 -9.302 -0.595 1.00 0.00 C ATOM 1155 CZ PHE A 73 -16.587 -10.388 -1.414 1.00 0.00 C ATOM 0 H PHE A 73 -12.489 -7.732 2.476 1.00 0.00 H new ATOM 0 HA PHE A 73 -12.551 -10.035 0.808 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -13.701 -7.431 0.927 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -12.876 -7.533 -0.616 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -13.220 -10.296 -1.441 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -15.968 -7.727 0.557 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -15.095 -11.593 -2.355 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -17.845 -9.021 -0.356 1.00 0.00 H new ATOM 0 HZ PHE A 73 -17.412 -10.957 -1.817 1.00 0.00 H new ATOM 1165 N ALA A 74 -10.123 -7.884 0.372 1.00 0.00 N ATOM 1166 CA ALA A 74 -8.853 -7.661 -0.309 1.00 0.00 C ATOM 1167 C ALA A 74 -7.822 -8.714 0.086 1.00 0.00 C ATOM 1168 O ALA A 74 -7.130 -9.269 -0.767 1.00 0.00 O ATOM 1169 CB ALA A 74 -8.329 -6.267 -0.002 1.00 0.00 C ATOM 0 H ALA A 74 -10.323 -7.219 1.119 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.026 -7.746 -1.382 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -7.380 -6.113 -0.516 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.051 -5.524 -0.342 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.180 -6.163 1.073 1.00 0.00 H new ATOM 1175 N VAL A 75 -7.722 -8.982 1.385 1.00 0.00 N ATOM 1176 CA VAL A 75 -6.771 -9.964 1.890 1.00 0.00 C ATOM 1177 C VAL A 75 -7.124 -11.375 1.425 1.00 0.00 C ATOM 1178 O VAL A 75 -6.255 -12.132 0.995 1.00 0.00 O ATOM 1179 CB VAL A 75 -6.705 -9.941 3.431 1.00 0.00 C ATOM 1180 CG1 VAL A 75 -8.061 -10.279 4.031 1.00 0.00 C ATOM 1181 CG2 VAL A 75 -5.634 -10.898 3.937 1.00 0.00 C ATOM 0 H VAL A 75 -8.288 -8.533 2.105 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.796 -9.691 1.487 1.00 0.00 H new ATOM 0 HB VAL A 75 -6.436 -8.933 3.748 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -7.993 -10.257 5.119 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -8.798 -9.548 3.699 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -8.365 -11.274 3.706 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -5.603 -10.867 5.026 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -5.867 -11.911 3.609 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -4.664 -10.602 3.538 1.00 0.00 H new ATOM 1191 N GLN A 76 -8.402 -11.725 1.516 1.00 0.00 N ATOM 1192 CA GLN A 76 -8.860 -13.047 1.105 1.00 0.00 C ATOM 1193 C GLN A 76 -8.673 -13.251 -0.398 1.00 0.00 C ATOM 1194 O GLN A 76 -8.576 -14.383 -0.870 1.00 0.00 O ATOM 1195 CB GLN A 76 -10.330 -13.244 1.483 1.00 0.00 C ATOM 1196 CG GLN A 76 -11.286 -12.349 0.711 1.00 0.00 C ATOM 1197 CD GLN A 76 -12.195 -13.129 -0.219 1.00 0.00 C ATOM 1198 OE1 GLN A 76 -12.941 -14.007 0.215 1.00 0.00 O ATOM 1199 NE2 GLN A 76 -12.137 -12.812 -1.507 1.00 0.00 N ATOM 0 H GLN A 76 -9.138 -11.114 1.870 1.00 0.00 H new ATOM 0 HA GLN A 76 -8.257 -13.789 1.628 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -10.603 -14.285 1.312 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -10.450 -13.054 2.550 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -11.894 -11.781 1.415 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -10.712 -11.627 0.130 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -11.504 -12.077 -1.823 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -12.725 -13.303 -2.180 1.00 0.00 H new ATOM 1208 N GLN A 77 -8.626 -12.151 -1.145 1.00 0.00 N ATOM 1209 CA GLN A 77 -8.451 -12.218 -2.591 1.00 0.00 C ATOM 1210 C GLN A 77 -7.028 -12.633 -2.953 1.00 0.00 C ATOM 1211 O GLN A 77 -6.821 -13.545 -3.753 1.00 0.00 O ATOM 1212 CB GLN A 77 -8.778 -10.866 -3.229 1.00 0.00 C ATOM 1213 CG GLN A 77 -9.663 -10.971 -4.461 1.00 0.00 C ATOM 1214 CD GLN A 77 -11.077 -10.489 -4.205 1.00 0.00 C ATOM 1215 OE1 GLN A 77 -11.288 -9.388 -3.698 1.00 0.00 O ATOM 1216 NE2 GLN A 77 -12.056 -11.315 -4.557 1.00 0.00 N ATOM 0 H GLN A 77 -8.707 -11.205 -0.773 1.00 0.00 H new ATOM 0 HA GLN A 77 -9.137 -12.971 -2.978 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -9.272 -10.235 -2.490 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -7.848 -10.368 -3.502 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -9.225 -10.386 -5.270 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -9.691 -12.008 -4.796 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -11.835 -12.219 -4.975 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -13.029 -11.045 -4.410 1.00 0.00 H new ATOM 1225 N LEU A 78 -6.050 -11.955 -2.360 1.00 0.00 N ATOM 1226 CA LEU A 78 -4.646 -12.253 -2.623 1.00 0.00 C ATOM 1227 C LEU A 78 -4.237 -13.571 -1.974 1.00 0.00 C ATOM 1228 O LEU A 78 -3.391 -14.295 -2.499 1.00 0.00 O ATOM 1229 CB LEU A 78 -3.755 -11.117 -2.114 1.00 0.00 C ATOM 1230 CG LEU A 78 -3.913 -10.782 -0.629 1.00 0.00 C ATOM 1231 CD1 LEU A 78 -2.987 -11.644 0.216 1.00 0.00 C ATOM 1232 CD2 LEU A 78 -3.641 -9.305 -0.385 1.00 0.00 C ATOM 0 H LEU A 78 -6.203 -11.197 -1.695 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.517 -12.347 -3.701 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -2.714 -11.381 -2.302 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -3.967 -10.221 -2.697 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.941 -10.996 -0.335 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.114 -11.391 1.269 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.229 -12.696 0.064 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.953 -11.464 -0.078 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.758 -9.084 0.676 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.624 -9.066 -0.696 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.346 -8.705 -0.960 1.00 0.00 H new ATOM 1244 N ARG A 79 -4.845 -13.880 -0.834 1.00 0.00 N ATOM 1245 CA ARG A 79 -4.545 -15.115 -0.118 1.00 0.00 C ATOM 1246 C ARG A 79 -5.122 -16.323 -0.850 1.00 0.00 C ATOM 1247 O ARG A 79 -4.630 -17.442 -0.705 1.00 0.00 O ATOM 1248 CB ARG A 79 -5.101 -15.054 1.306 1.00 0.00 C ATOM 1249 CG ARG A 79 -4.194 -15.701 2.341 1.00 0.00 C ATOM 1250 CD ARG A 79 -4.711 -15.476 3.753 1.00 0.00 C ATOM 1251 NE ARG A 79 -4.432 -16.612 4.627 1.00 0.00 N ATOM 1252 CZ ARG A 79 -5.065 -16.838 5.776 1.00 0.00 C ATOM 1253 NH1 ARG A 79 -6.013 -16.008 6.194 1.00 0.00 N ATOM 1254 NH2 ARG A 79 -4.748 -17.896 6.510 1.00 0.00 N ATOM 0 H ARG A 79 -5.548 -13.293 -0.386 1.00 0.00 H new ATOM 0 HA ARG A 79 -3.461 -15.223 -0.072 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -5.264 -14.012 1.579 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -6.073 -15.546 1.329 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -4.122 -16.771 2.145 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -3.188 -15.292 2.251 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -4.252 -14.579 4.168 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -5.786 -15.299 3.721 1.00 0.00 H new ATOM 0 HE ARG A 79 -3.709 -17.272 4.340 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -6.260 -15.192 5.634 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -6.495 -16.186 7.075 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -4.019 -18.536 6.194 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -5.233 -18.070 7.391 1.00 0.00 H new ATOM 1268 N LYS A 80 -6.168 -16.090 -1.638 1.00 0.00 N ATOM 1269 CA LYS A 80 -6.811 -17.160 -2.392 1.00 0.00 C ATOM 1270 C LYS A 80 -5.856 -17.760 -3.422 1.00 0.00 C ATOM 1271 O LYS A 80 -6.067 -18.876 -3.897 1.00 0.00 O ATOM 1272 CB LYS A 80 -8.067 -16.636 -3.089 1.00 0.00 C ATOM 1273 CG LYS A 80 -8.918 -17.730 -3.713 1.00 0.00 C ATOM 1274 CD LYS A 80 -9.989 -18.220 -2.751 1.00 0.00 C ATOM 1275 CE LYS A 80 -10.249 -19.709 -2.916 1.00 0.00 C ATOM 1276 NZ LYS A 80 -9.720 -20.499 -1.770 1.00 0.00 N ATOM 0 H LYS A 80 -6.588 -15.170 -1.770 1.00 0.00 H new ATOM 0 HA LYS A 80 -7.092 -17.944 -1.689 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -8.670 -16.085 -2.367 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -7.774 -15.929 -3.865 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -9.388 -17.353 -4.621 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -8.281 -18.565 -4.006 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -9.680 -18.015 -1.726 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -10.913 -17.667 -2.922 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -11.321 -19.881 -3.011 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -9.787 -20.057 -3.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -9.919 -21.508 -1.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -8.693 -20.356 -1.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -10.179 -20.185 -0.891 1.00 0.00 H new ATOM 1290 N SER A 81 -4.805 -17.017 -3.765 1.00 0.00 N ATOM 1291 CA SER A 81 -3.822 -17.482 -4.738 1.00 0.00 C ATOM 1292 C SER A 81 -3.292 -18.864 -4.361 1.00 0.00 C ATOM 1293 O SER A 81 -3.551 -19.848 -5.053 1.00 0.00 O ATOM 1294 CB SER A 81 -2.662 -16.490 -4.837 1.00 0.00 C ATOM 1295 OG SER A 81 -3.010 -15.378 -5.645 1.00 0.00 O ATOM 0 H SER A 81 -4.614 -16.091 -3.383 1.00 0.00 H new ATOM 0 HA SER A 81 -4.315 -17.553 -5.707 1.00 0.00 H new ATOM 0 HB2 SER A 81 -2.386 -16.147 -3.840 1.00 0.00 H new ATOM 0 HB3 SER A 81 -1.788 -16.988 -5.256 1.00 0.00 H new ATOM 0 HG SER A 81 -3.531 -15.684 -6.416 1.00 0.00 H new ATOM 1301 N GLY A 82 -2.553 -18.927 -3.258 1.00 0.00 N ATOM 1302 CA GLY A 82 -2.002 -20.192 -2.806 1.00 0.00 C ATOM 1303 C GLY A 82 -0.493 -20.248 -2.933 1.00 0.00 C ATOM 1304 O GLY A 82 0.196 -20.719 -2.029 1.00 0.00 O ATOM 0 H GLY A 82 -2.326 -18.126 -2.669 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -2.282 -20.355 -1.765 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -2.442 -21.004 -3.385 1.00 0.00 H new ATOM 1308 N LYS A 83 0.023 -19.766 -4.060 1.00 0.00 N ATOM 1309 CA LYS A 83 1.461 -19.765 -4.302 1.00 0.00 C ATOM 1310 C LYS A 83 1.812 -18.879 -5.494 1.00 0.00 C ATOM 1311 O LYS A 83 2.763 -19.153 -6.226 1.00 0.00 O ATOM 1312 CB LYS A 83 1.957 -21.194 -4.545 1.00 0.00 C ATOM 1313 CG LYS A 83 2.672 -21.803 -3.348 1.00 0.00 C ATOM 1314 CD LYS A 83 2.437 -23.302 -3.262 1.00 0.00 C ATOM 1315 CE LYS A 83 3.330 -23.945 -2.212 1.00 0.00 C ATOM 1316 NZ LYS A 83 3.250 -25.431 -2.249 1.00 0.00 N ATOM 0 H LYS A 83 -0.533 -19.372 -4.819 1.00 0.00 H new ATOM 0 HA LYS A 83 1.955 -19.362 -3.418 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.108 -21.824 -4.810 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.633 -21.194 -5.400 1.00 0.00 H new ATOM 0 HG2 LYS A 83 3.741 -21.605 -3.422 1.00 0.00 H new ATOM 0 HG3 LYS A 83 2.322 -21.326 -2.433 1.00 0.00 H new ATOM 0 HD2 LYS A 83 1.392 -23.495 -3.020 1.00 0.00 H new ATOM 0 HD3 LYS A 83 2.629 -23.758 -4.233 1.00 0.00 H new ATOM 0 HE2 LYS A 83 4.362 -23.633 -2.373 1.00 0.00 H new ATOM 0 HE3 LYS A 83 3.040 -23.590 -1.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 3.873 -25.830 -1.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 2.270 -25.730 -2.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 3.551 -25.772 -3.184 1.00 0.00 H new ATOM 1330 N ASN A 84 1.037 -17.816 -5.684 1.00 0.00 N ATOM 1331 CA ASN A 84 1.267 -16.891 -6.788 1.00 0.00 C ATOM 1332 C ASN A 84 0.288 -15.721 -6.732 1.00 0.00 C ATOM 1333 O ASN A 84 -0.556 -15.561 -7.615 1.00 0.00 O ATOM 1334 CB ASN A 84 1.141 -17.619 -8.129 1.00 0.00 C ATOM 1335 CG ASN A 84 -0.052 -18.554 -8.174 1.00 0.00 C ATOM 1336 OD1 ASN A 84 0.101 -19.775 -8.192 1.00 0.00 O ATOM 1337 ND2 ASN A 84 -1.252 -17.984 -8.192 1.00 0.00 N ATOM 0 H ASN A 84 0.245 -17.574 -5.088 1.00 0.00 H new ATOM 0 HA ASN A 84 2.279 -16.497 -6.694 1.00 0.00 H new ATOM 0 HB2 ASN A 84 1.053 -16.885 -8.930 1.00 0.00 H new ATOM 0 HB3 ASN A 84 2.052 -18.188 -8.316 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -2.091 -18.563 -8.222 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -1.334 -16.967 -8.176 1.00 0.00 H new ATOM 1344 N ALA A 85 0.410 -14.904 -5.692 1.00 0.00 N ATOM 1345 CA ALA A 85 -0.460 -13.747 -5.522 1.00 0.00 C ATOM 1346 C ALA A 85 0.221 -12.478 -6.021 1.00 0.00 C ATOM 1347 O ALA A 85 1.138 -11.963 -5.381 1.00 0.00 O ATOM 1348 CB ALA A 85 -0.861 -13.596 -4.064 1.00 0.00 C ATOM 0 H ALA A 85 1.104 -15.022 -4.953 1.00 0.00 H new ATOM 0 HA ALA A 85 -1.360 -13.906 -6.117 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -1.511 -12.728 -3.953 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -1.392 -14.490 -3.738 1.00 0.00 H new ATOM 0 HB3 ALA A 85 0.032 -13.462 -3.453 1.00 0.00 H new ATOM 1354 N LYS A 86 -0.227 -11.982 -7.169 1.00 0.00 N ATOM 1355 CA LYS A 86 0.347 -10.775 -7.752 1.00 0.00 C ATOM 1356 C LYS A 86 -0.470 -9.542 -7.381 1.00 0.00 C ATOM 1357 O LYS A 86 -1.700 -9.580 -7.363 1.00 0.00 O ATOM 1358 CB LYS A 86 0.450 -10.912 -9.275 1.00 0.00 C ATOM 1359 CG LYS A 86 -0.847 -10.612 -10.013 1.00 0.00 C ATOM 1360 CD LYS A 86 -0.924 -11.358 -11.335 1.00 0.00 C ATOM 1361 CE LYS A 86 -2.326 -11.879 -11.601 1.00 0.00 C ATOM 1362 NZ LYS A 86 -2.312 -13.131 -12.405 1.00 0.00 N ATOM 0 H LYS A 86 -0.984 -12.396 -7.713 1.00 0.00 H new ATOM 0 HA LYS A 86 1.350 -10.649 -7.344 1.00 0.00 H new ATOM 0 HB2 LYS A 86 1.227 -10.239 -9.638 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.768 -11.926 -9.518 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.695 -10.891 -9.387 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -0.923 -9.540 -10.195 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -0.621 -10.695 -12.146 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -0.221 -12.191 -11.325 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.830 -12.063 -10.652 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.902 -11.117 -12.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -3.288 -13.453 -12.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -1.854 -12.950 -13.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -1.784 -13.866 -11.893 1.00 0.00 H new ATOM 1376 N ILE A 87 0.226 -8.450 -7.085 1.00 0.00 N ATOM 1377 CA ILE A 87 -0.431 -7.203 -6.713 1.00 0.00 C ATOM 1378 C ILE A 87 0.109 -6.031 -7.525 1.00 0.00 C ATOM 1379 O ILE A 87 1.322 -5.851 -7.643 1.00 0.00 O ATOM 1380 CB ILE A 87 -0.251 -6.901 -5.212 1.00 0.00 C ATOM 1381 CG1 ILE A 87 -0.695 -8.101 -4.373 1.00 0.00 C ATOM 1382 CG2 ILE A 87 -1.031 -5.653 -4.821 1.00 0.00 C ATOM 1383 CD1 ILE A 87 0.449 -8.986 -3.930 1.00 0.00 C ATOM 0 H ILE A 87 1.245 -8.403 -7.095 1.00 0.00 H new ATOM 0 HA ILE A 87 -1.492 -7.329 -6.927 1.00 0.00 H new ATOM 0 HB ILE A 87 0.806 -6.716 -5.018 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -1.227 -7.741 -3.492 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.401 -8.697 -4.951 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -0.892 -5.455 -3.758 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -0.670 -4.802 -5.399 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -2.090 -5.807 -5.026 1.00 0.00 H new ATOM 0 HD11 ILE A 87 0.060 -9.816 -3.340 1.00 0.00 H new ATOM 0 HD12 ILE A 87 0.968 -9.376 -4.806 1.00 0.00 H new ATOM 0 HD13 ILE A 87 1.145 -8.405 -3.324 1.00 0.00 H new ATOM 1395 N THR A 88 -0.799 -5.235 -8.079 1.00 0.00 N ATOM 1396 CA THR A 88 -0.414 -4.076 -8.877 1.00 0.00 C ATOM 1397 C THR A 88 -0.486 -2.803 -8.039 1.00 0.00 C ATOM 1398 O THR A 88 -1.540 -2.460 -7.505 1.00 0.00 O ATOM 1399 CB THR A 88 -1.322 -3.949 -10.101 1.00 0.00 C ATOM 1400 OG1 THR A 88 -1.687 -5.228 -10.589 1.00 0.00 O ATOM 1401 CG2 THR A 88 -0.684 -3.186 -11.241 1.00 0.00 C ATOM 0 H THR A 88 -1.806 -5.371 -7.990 1.00 0.00 H new ATOM 0 HA THR A 88 0.613 -4.216 -9.213 1.00 0.00 H new ATOM 0 HB THR A 88 -2.195 -3.394 -9.758 1.00 0.00 H new ATOM 0 HG1 THR A 88 -1.832 -5.180 -11.557 1.00 0.00 H new ATOM 0 HG21 THR A 88 -1.381 -3.132 -12.078 1.00 0.00 H new ATOM 0 HG22 THR A 88 -0.436 -2.178 -10.910 1.00 0.00 H new ATOM 0 HG23 THR A 88 0.225 -3.698 -11.558 1.00 0.00 H new ATOM 1409 N ILE A 89 0.643 -2.112 -7.924 1.00 0.00 N ATOM 1410 CA ILE A 89 0.702 -0.880 -7.143 1.00 0.00 C ATOM 1411 C ILE A 89 1.326 0.257 -7.942 1.00 0.00 C ATOM 1412 O ILE A 89 1.947 0.034 -8.982 1.00 0.00 O ATOM 1413 CB ILE A 89 1.508 -1.077 -5.844 1.00 0.00 C ATOM 1414 CG1 ILE A 89 2.797 -1.857 -6.121 1.00 0.00 C ATOM 1415 CG2 ILE A 89 0.664 -1.795 -4.802 1.00 0.00 C ATOM 1416 CD1 ILE A 89 3.786 -1.106 -6.987 1.00 0.00 C ATOM 0 H ILE A 89 1.526 -2.381 -8.359 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.327 -0.620 -6.893 1.00 0.00 H new ATOM 0 HB ILE A 89 1.780 -0.096 -5.455 1.00 0.00 H new ATOM 0 HG12 ILE A 89 3.273 -2.105 -5.172 1.00 0.00 H new ATOM 0 HG13 ILE A 89 2.544 -2.800 -6.607 1.00 0.00 H new ATOM 0 HG21 ILE A 89 1.246 -1.927 -3.890 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -0.224 -1.203 -4.583 1.00 0.00 H new ATOM 0 HG23 ILE A 89 0.364 -2.770 -5.186 1.00 0.00 H new ATOM 0 HD11 ILE A 89 4.674 -1.719 -7.141 1.00 0.00 H new ATOM 0 HD12 ILE A 89 3.329 -0.881 -7.951 1.00 0.00 H new ATOM 0 HD13 ILE A 89 4.069 -0.176 -6.494 1.00 0.00 H new ATOM 1428 N ARG A 90 1.161 1.478 -7.444 1.00 0.00 N ATOM 1429 CA ARG A 90 1.711 2.654 -8.104 1.00 0.00 C ATOM 1430 C ARG A 90 2.340 3.601 -7.087 1.00 0.00 C ATOM 1431 O ARG A 90 1.880 3.699 -5.951 1.00 0.00 O ATOM 1432 CB ARG A 90 0.623 3.384 -8.894 1.00 0.00 C ATOM 1433 CG ARG A 90 -0.692 3.514 -8.141 1.00 0.00 C ATOM 1434 CD ARG A 90 -1.734 2.537 -8.660 1.00 0.00 C ATOM 1435 NE ARG A 90 -3.055 3.151 -8.764 1.00 0.00 N ATOM 1436 CZ ARG A 90 -3.430 3.939 -9.770 1.00 0.00 C ATOM 1437 NH1 ARG A 90 -2.586 4.212 -10.757 1.00 0.00 N ATOM 1438 NH2 ARG A 90 -4.650 4.455 -9.788 1.00 0.00 N ATOM 0 H ARG A 90 0.650 1.678 -6.584 1.00 0.00 H new ATOM 0 HA ARG A 90 2.486 2.321 -8.795 1.00 0.00 H new ATOM 0 HB2 ARG A 90 0.982 4.379 -9.156 1.00 0.00 H new ATOM 0 HB3 ARG A 90 0.446 2.852 -9.829 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -0.523 3.336 -7.079 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -1.068 4.533 -8.237 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -1.428 2.167 -9.638 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -1.786 1.675 -7.995 1.00 0.00 H new ATOM 0 HE ARG A 90 -3.730 2.965 -8.022 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -1.645 3.818 -10.747 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -2.878 4.816 -11.525 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -5.302 4.249 -9.031 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -4.937 5.059 -10.559 1.00 0.00 H new ATOM 1452 N ARG A 91 3.394 4.295 -7.502 1.00 0.00 N ATOM 1453 CA ARG A 91 4.082 5.231 -6.619 1.00 0.00 C ATOM 1454 C ARG A 91 4.483 6.503 -7.363 1.00 0.00 C ATOM 1455 O ARG A 91 4.830 6.465 -8.542 1.00 0.00 O ATOM 1456 CB ARG A 91 5.321 4.573 -6.008 1.00 0.00 C ATOM 1457 CG ARG A 91 6.394 4.227 -7.029 1.00 0.00 C ATOM 1458 CD ARG A 91 6.143 2.868 -7.660 1.00 0.00 C ATOM 1459 NE ARG A 91 7.289 2.405 -8.439 1.00 0.00 N ATOM 1460 CZ ARG A 91 7.455 1.146 -8.837 1.00 0.00 C ATOM 1461 NH1 ARG A 91 6.549 0.224 -8.538 1.00 0.00 N ATOM 1462 NH2 ARG A 91 8.529 0.810 -9.539 1.00 0.00 N ATOM 0 H ARG A 91 3.790 4.228 -8.440 1.00 0.00 H new ATOM 0 HA ARG A 91 3.391 5.505 -5.822 1.00 0.00 H new ATOM 0 HB2 ARG A 91 5.746 5.242 -5.260 1.00 0.00 H new ATOM 0 HB3 ARG A 91 5.020 3.664 -5.488 1.00 0.00 H new ATOM 0 HG2 ARG A 91 6.419 4.991 -7.806 1.00 0.00 H new ATOM 0 HG3 ARG A 91 7.372 4.231 -6.547 1.00 0.00 H new ATOM 0 HD2 ARG A 91 5.919 2.142 -6.879 1.00 0.00 H new ATOM 0 HD3 ARG A 91 5.266 2.924 -8.304 1.00 0.00 H new ATOM 0 HE ARG A 91 8.004 3.087 -8.693 1.00 0.00 H new ATOM 0 HH11 ARG A 91 5.720 0.479 -8.001 1.00 0.00 H new ATOM 0 HH12 ARG A 91 6.681 -0.740 -8.846 1.00 0.00 H new ATOM 0 HH21 ARG A 91 9.227 1.516 -9.773 1.00 0.00 H new ATOM 0 HH22 ARG A 91 8.657 -0.155 -9.845 1.00 0.00 H new ATOM 1476 N LYS A 92 4.435 7.627 -6.655 1.00 0.00 N ATOM 1477 CA LYS A 92 4.797 8.916 -7.235 1.00 0.00 C ATOM 1478 C LYS A 92 5.518 9.795 -6.214 1.00 0.00 C ATOM 1479 O LYS A 92 6.459 10.511 -6.554 1.00 0.00 O ATOM 1480 CB LYS A 92 3.554 9.639 -7.761 1.00 0.00 C ATOM 1481 CG LYS A 92 2.430 9.748 -6.744 1.00 0.00 C ATOM 1482 CD LYS A 92 1.586 10.990 -6.979 1.00 0.00 C ATOM 1483 CE LYS A 92 0.108 10.709 -6.760 1.00 0.00 C ATOM 1484 NZ LYS A 92 -0.718 11.942 -6.893 1.00 0.00 N ATOM 0 H LYS A 92 4.148 7.671 -5.677 1.00 0.00 H new ATOM 0 HA LYS A 92 5.475 8.727 -8.067 1.00 0.00 H new ATOM 0 HB2 LYS A 92 3.837 10.641 -8.084 1.00 0.00 H new ATOM 0 HB3 LYS A 92 3.185 9.113 -8.641 1.00 0.00 H new ATOM 0 HG2 LYS A 92 1.799 8.861 -6.801 1.00 0.00 H new ATOM 0 HG3 LYS A 92 2.849 9.776 -5.738 1.00 0.00 H new ATOM 0 HD2 LYS A 92 1.910 11.784 -6.306 1.00 0.00 H new ATOM 0 HD3 LYS A 92 1.742 11.350 -7.996 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -0.231 9.966 -7.481 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -0.037 10.280 -5.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -1.719 11.708 -6.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -0.412 12.643 -6.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -0.600 12.338 -7.848 1.00 0.00 H new ATOM 1498 N LYS A 93 5.070 9.738 -4.962 1.00 0.00 N ATOM 1499 CA LYS A 93 5.674 10.532 -3.898 1.00 0.00 C ATOM 1500 C LYS A 93 6.165 9.637 -2.765 1.00 0.00 C ATOM 1501 O LYS A 93 6.934 10.130 -1.913 1.00 0.00 O ATOM 1502 CB LYS A 93 4.667 11.549 -3.358 1.00 0.00 C ATOM 1503 CG LYS A 93 3.407 10.915 -2.791 1.00 0.00 C ATOM 1504 CD LYS A 93 2.180 11.767 -3.071 1.00 0.00 C ATOM 1505 CE LYS A 93 0.938 11.190 -2.412 1.00 0.00 C ATOM 1506 NZ LYS A 93 -0.268 11.336 -3.273 1.00 0.00 N ATOM 1507 OXT LYS A 93 5.776 8.450 -2.738 1.00 0.00 O ATOM 0 H LYS A 93 4.292 9.151 -4.661 1.00 0.00 H new ATOM 0 HA LYS A 93 6.529 11.063 -4.316 1.00 0.00 H new ATOM 0 HB2 LYS A 93 5.146 12.144 -2.580 1.00 0.00 H new ATOM 0 HB3 LYS A 93 4.390 12.234 -4.159 1.00 0.00 H new ATOM 0 HG2 LYS A 93 3.270 9.924 -3.225 1.00 0.00 H new ATOM 0 HG3 LYS A 93 3.519 10.779 -1.715 1.00 0.00 H new ATOM 0 HD2 LYS A 93 2.349 12.780 -2.707 1.00 0.00 H new ATOM 0 HD3 LYS A 93 2.023 11.837 -4.147 1.00 0.00 H new ATOM 0 HE2 LYS A 93 1.101 10.135 -2.192 1.00 0.00 H new ATOM 0 HE3 LYS A 93 0.767 11.691 -1.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -1.057 11.707 -2.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -0.061 11.995 -4.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -0.529 10.409 -3.665 1.00 0.00 H new TER 1521 LYS A 93