USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 600 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 42 MET CE :methyl 134:sc= -3.23! (180deg=-1.27) USER MOD Set 1.2: A 59 GLN : amide:sc= -6.36! C(o=-9.6!,f=-20!) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.266! USER MOD Single : A 13 GLN : amide:sc= -0.0065 X(o=-0.0065,f=-0.33) USER MOD Single : A 14 ASN : amide:sc= -0.677 K(o=-0.68,f=-0.0059) USER MOD Single : A 17 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0199) USER MOD Single : A 24 ASN : amide:sc= -3.78! C(o=-3.8!,f=-3.1!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 33 THR OG1 : rot -170:sc= -0.976 USER MOD Single : A 35 ASN : amide:sc= 0.574 K(o=0.57,f=-0.0027) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot -60:sc= -11.7! USER MOD Single : A 43 LYS NZ :NH3+ 142:sc= 0.71 (180deg=-0.667) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot -126:sc= 1.46 USER MOD Single : A 56 TYR OH : rot 178:sc= -1.21 USER MOD Single : A 58 TYR OH : rot 32:sc= 0.203 USER MOD Single : A 61 TYR OH : rot 180:sc= -3.48! USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot -32:sc= 0.114 USER MOD Single : A 67 LYS NZ :NH3+ 177:sc= -8.2! (180deg=-8.31!) USER MOD Single : A 74 SER OG : rot 129:sc= -0.763! USER MOD Single : A 83 LYS NZ :NH3+ 149:sc= -0.626 (180deg=-1.3!) USER MOD Single : A 88 ASN : amide:sc= -2.15! C(o=-2.1!,f=-5!) USER MOD ----------------------------------------------------------------- ATOM 10 N GLU A 2 -9.381 8.542 -6.244 1.00 0.00 N ATOM 11 CA GLU A 2 -8.296 9.552 -6.081 1.00 0.00 C ATOM 12 C GLU A 2 -6.964 8.856 -5.784 1.00 0.00 C ATOM 13 O GLU A 2 -6.901 7.651 -5.646 1.00 0.00 O ATOM 14 CB GLU A 2 -8.729 10.412 -4.893 1.00 0.00 C ATOM 15 CG GLU A 2 -8.789 9.547 -3.632 1.00 0.00 C ATOM 16 CD GLU A 2 -10.097 8.756 -3.617 1.00 0.00 C ATOM 17 OE1 GLU A 2 -11.046 9.206 -4.238 1.00 0.00 O ATOM 18 OE2 GLU A 2 -10.128 7.712 -2.985 1.00 0.00 O ATOM 0 HA GLU A 2 -8.148 10.147 -6.982 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -8.027 11.234 -4.750 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -9.705 10.857 -5.089 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -7.939 8.865 -3.605 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -8.722 10.175 -2.744 1.00 0.00 H new ATOM 25 N TRP A 3 -5.901 9.607 -5.683 1.00 0.00 N ATOM 26 CA TRP A 3 -4.575 8.987 -5.394 1.00 0.00 C ATOM 27 C TRP A 3 -3.758 9.893 -4.470 1.00 0.00 C ATOM 28 O TRP A 3 -3.891 11.100 -4.493 1.00 0.00 O ATOM 29 CB TRP A 3 -3.891 8.849 -6.757 1.00 0.00 C ATOM 30 CG TRP A 3 -4.061 10.114 -7.536 1.00 0.00 C ATOM 31 CD1 TRP A 3 -5.145 10.426 -8.282 1.00 0.00 C ATOM 32 CD2 TRP A 3 -3.141 11.236 -7.661 1.00 0.00 C ATOM 33 NE1 TRP A 3 -4.949 11.669 -8.856 1.00 0.00 N ATOM 34 CE2 TRP A 3 -3.728 12.208 -8.504 1.00 0.00 C ATOM 35 CE3 TRP A 3 -1.865 11.502 -7.130 1.00 0.00 C ATOM 36 CZ2 TRP A 3 -3.074 13.403 -8.809 1.00 0.00 C ATOM 37 CZ3 TRP A 3 -1.204 12.704 -7.435 1.00 0.00 C ATOM 38 CH2 TRP A 3 -1.808 13.651 -8.274 1.00 0.00 C ATOM 0 H TRP A 3 -5.893 10.622 -5.788 1.00 0.00 H new ATOM 0 HA TRP A 3 -4.671 8.025 -4.891 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -2.831 8.633 -6.623 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -4.320 8.011 -7.307 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -6.020 9.806 -8.409 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -5.624 12.131 -9.465 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -1.391 10.778 -6.484 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -3.544 14.131 -9.454 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 -0.226 12.899 -7.021 1.00 0.00 H new ATOM 0 HH2 TRP A 3 -1.294 14.572 -8.507 1.00 0.00 H new ATOM 49 N GLU A 4 -2.914 9.320 -3.653 1.00 0.00 N ATOM 50 CA GLU A 4 -2.095 10.156 -2.727 1.00 0.00 C ATOM 51 C GLU A 4 -0.786 9.453 -2.383 1.00 0.00 C ATOM 52 O GLU A 4 -0.754 8.267 -2.126 1.00 0.00 O ATOM 53 CB GLU A 4 -2.954 10.318 -1.479 1.00 0.00 C ATOM 54 CG GLU A 4 -3.984 11.410 -1.733 1.00 0.00 C ATOM 55 CD GLU A 4 -4.763 11.691 -0.448 1.00 0.00 C ATOM 56 OE1 GLU A 4 -5.497 10.816 -0.020 1.00 0.00 O ATOM 57 OE2 GLU A 4 -4.611 12.777 0.088 1.00 0.00 O ATOM 0 H GLU A 4 -2.757 8.314 -3.587 1.00 0.00 H new ATOM 0 HA GLU A 4 -1.828 11.115 -3.172 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -3.451 9.378 -1.238 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.331 10.578 -0.623 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.488 12.318 -2.076 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.667 11.102 -2.524 1.00 0.00 H new ATOM 64 N ILE A 5 0.298 10.174 -2.383 1.00 0.00 N ATOM 65 CA ILE A 5 1.604 9.547 -2.066 1.00 0.00 C ATOM 66 C ILE A 5 1.767 9.372 -0.550 1.00 0.00 C ATOM 67 O ILE A 5 0.859 9.628 0.215 1.00 0.00 O ATOM 68 CB ILE A 5 2.661 10.502 -2.636 1.00 0.00 C ATOM 69 CG1 ILE A 5 2.973 11.616 -1.629 1.00 0.00 C ATOM 70 CG2 ILE A 5 2.164 11.127 -3.944 1.00 0.00 C ATOM 71 CD1 ILE A 5 1.738 12.497 -1.435 1.00 0.00 C ATOM 0 H ILE A 5 0.334 11.172 -2.590 1.00 0.00 H new ATOM 0 HA ILE A 5 1.696 8.550 -2.497 1.00 0.00 H new ATOM 0 HB ILE A 5 3.568 9.929 -2.831 1.00 0.00 H new ATOM 0 HG12 ILE A 5 3.276 11.183 -0.676 1.00 0.00 H new ATOM 0 HG13 ILE A 5 3.809 12.218 -1.986 1.00 0.00 H new ATOM 0 HG21 ILE A 5 2.924 11.802 -4.337 1.00 0.00 H new ATOM 0 HG22 ILE A 5 1.967 10.340 -4.672 1.00 0.00 H new ATOM 0 HG23 ILE A 5 1.246 11.684 -3.755 1.00 0.00 H new ATOM 0 HD11 ILE A 5 1.964 13.287 -0.719 1.00 0.00 H new ATOM 0 HD12 ILE A 5 1.455 12.942 -2.389 1.00 0.00 H new ATOM 0 HD13 ILE A 5 0.914 11.891 -1.059 1.00 0.00 H new ATOM 83 N ILE A 6 2.916 8.925 -0.116 1.00 0.00 N ATOM 84 CA ILE A 6 3.130 8.719 1.350 1.00 0.00 C ATOM 85 C ILE A 6 4.197 9.695 1.876 1.00 0.00 C ATOM 86 O ILE A 6 4.577 10.628 1.199 1.00 0.00 O ATOM 87 CB ILE A 6 3.572 7.246 1.501 1.00 0.00 C ATOM 88 CG1 ILE A 6 5.100 7.126 1.461 1.00 0.00 C ATOM 89 CG2 ILE A 6 2.976 6.398 0.372 1.00 0.00 C ATOM 90 CD1 ILE A 6 5.647 7.768 0.182 1.00 0.00 C ATOM 0 H ILE A 6 3.713 8.694 -0.709 1.00 0.00 H new ATOM 0 HA ILE A 6 2.229 8.914 1.932 1.00 0.00 H new ATOM 0 HB ILE A 6 3.212 6.886 2.465 1.00 0.00 H new ATOM 0 HG12 ILE A 6 5.533 7.612 2.335 1.00 0.00 H new ATOM 0 HG13 ILE A 6 5.391 6.076 1.503 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.294 5.362 0.488 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.888 6.450 0.413 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.321 6.778 -0.590 1.00 0.00 H new ATOM 0 HD11 ILE A 6 6.733 7.677 0.165 1.00 0.00 H new ATOM 0 HD12 ILE A 6 5.227 7.263 -0.687 1.00 0.00 H new ATOM 0 HD13 ILE A 6 5.371 8.822 0.157 1.00 0.00 H new ATOM 102 N ASP A 7 4.679 9.493 3.077 1.00 0.00 N ATOM 103 CA ASP A 7 5.713 10.425 3.626 1.00 0.00 C ATOM 104 C ASP A 7 6.830 9.654 4.340 1.00 0.00 C ATOM 105 O ASP A 7 7.203 9.975 5.451 1.00 0.00 O ATOM 106 CB ASP A 7 4.959 11.314 4.615 1.00 0.00 C ATOM 107 CG ASP A 7 5.906 12.378 5.171 1.00 0.00 C ATOM 108 OD1 ASP A 7 6.523 13.069 4.376 1.00 0.00 O ATOM 109 OD2 ASP A 7 6.001 12.486 6.383 1.00 0.00 O ATOM 0 H ASP A 7 4.405 8.731 3.697 1.00 0.00 H new ATOM 0 HA ASP A 7 6.196 11.001 2.837 1.00 0.00 H new ATOM 0 HB2 ASP A 7 4.112 11.789 4.120 1.00 0.00 H new ATOM 0 HB3 ASP A 7 4.556 10.710 5.428 1.00 0.00 H new ATOM 114 N ILE A 8 7.365 8.649 3.701 1.00 0.00 N ATOM 115 CA ILE A 8 8.462 7.846 4.317 1.00 0.00 C ATOM 116 C ILE A 8 8.194 7.657 5.806 1.00 0.00 C ATOM 117 O ILE A 8 9.098 7.627 6.617 1.00 0.00 O ATOM 118 CB ILE A 8 9.736 8.663 4.092 1.00 0.00 C ATOM 119 CG1 ILE A 8 10.956 7.806 4.436 1.00 0.00 C ATOM 120 CG2 ILE A 8 9.722 9.906 4.984 1.00 0.00 C ATOM 121 CD1 ILE A 8 12.209 8.428 3.818 1.00 0.00 C ATOM 0 H ILE A 8 7.086 8.346 2.768 1.00 0.00 H new ATOM 0 HA ILE A 8 8.544 6.851 3.880 1.00 0.00 H new ATOM 0 HB ILE A 8 9.785 8.971 3.048 1.00 0.00 H new ATOM 0 HG12 ILE A 8 11.069 7.734 5.518 1.00 0.00 H new ATOM 0 HG13 ILE A 8 10.818 6.792 4.061 1.00 0.00 H new ATOM 0 HG21 ILE A 8 10.632 10.483 4.819 1.00 0.00 H new ATOM 0 HG22 ILE A 8 8.854 10.519 4.740 1.00 0.00 H new ATOM 0 HG23 ILE A 8 9.670 9.603 6.030 1.00 0.00 H new ATOM 0 HD11 ILE A 8 13.078 7.817 4.064 1.00 0.00 H new ATOM 0 HD12 ILE A 8 12.094 8.477 2.735 1.00 0.00 H new ATOM 0 HD13 ILE A 8 12.349 9.434 4.214 1.00 0.00 H new ATOM 133 N GLY A 9 6.950 7.548 6.168 1.00 0.00 N ATOM 134 CA GLY A 9 6.612 7.381 7.613 1.00 0.00 C ATOM 135 C GLY A 9 5.505 6.336 7.820 1.00 0.00 C ATOM 136 O GLY A 9 5.701 5.365 8.528 1.00 0.00 O ATOM 0 H GLY A 9 6.153 7.567 5.532 1.00 0.00 H new ATOM 0 HA2 GLY A 9 7.504 7.080 8.163 1.00 0.00 H new ATOM 0 HA3 GLY A 9 6.291 8.338 8.025 1.00 0.00 H new ATOM 140 N PRO A 10 4.367 6.577 7.225 1.00 0.00 N ATOM 141 CA PRO A 10 3.217 5.663 7.390 1.00 0.00 C ATOM 142 C PRO A 10 3.280 4.496 6.403 1.00 0.00 C ATOM 143 O PRO A 10 3.255 3.346 6.794 1.00 0.00 O ATOM 144 CB PRO A 10 2.018 6.563 7.109 1.00 0.00 C ATOM 145 CG PRO A 10 2.535 7.679 6.246 1.00 0.00 C ATOM 146 CD PRO A 10 4.044 7.698 6.344 1.00 0.00 C ATOM 0 HA PRO A 10 3.182 5.197 8.375 1.00 0.00 H new ATOM 0 HB2 PRO A 10 1.226 6.012 6.602 1.00 0.00 H new ATOM 0 HB3 PRO A 10 1.594 6.950 8.036 1.00 0.00 H new ATOM 0 HG2 PRO A 10 2.224 7.534 5.211 1.00 0.00 H new ATOM 0 HG3 PRO A 10 2.122 8.633 6.572 1.00 0.00 H new ATOM 0 HD2 PRO A 10 4.507 7.579 5.364 1.00 0.00 H new ATOM 0 HD3 PRO A 10 4.403 8.642 6.754 1.00 0.00 H new ATOM 154 N PHE A 11 3.354 4.770 5.132 1.00 0.00 N ATOM 155 CA PHE A 11 3.411 3.656 4.146 1.00 0.00 C ATOM 156 C PHE A 11 4.668 2.818 4.387 1.00 0.00 C ATOM 157 O PHE A 11 4.701 1.635 4.107 1.00 0.00 O ATOM 158 CB PHE A 11 3.445 4.332 2.777 1.00 0.00 C ATOM 159 CG PHE A 11 2.036 4.709 2.377 1.00 0.00 C ATOM 160 CD1 PHE A 11 1.288 5.584 3.175 1.00 0.00 C ATOM 161 CD2 PHE A 11 1.477 4.187 1.203 1.00 0.00 C ATOM 162 CE1 PHE A 11 -0.014 5.937 2.802 1.00 0.00 C ATOM 163 CE2 PHE A 11 0.175 4.540 0.830 1.00 0.00 C ATOM 164 CZ PHE A 11 -0.570 5.415 1.629 1.00 0.00 C ATOM 0 H PHE A 11 3.377 5.709 4.735 1.00 0.00 H new ATOM 0 HA PHE A 11 2.561 2.978 4.227 1.00 0.00 H new ATOM 0 HB2 PHE A 11 4.077 5.220 2.811 1.00 0.00 H new ATOM 0 HB3 PHE A 11 3.879 3.660 2.036 1.00 0.00 H new ATOM 0 HD1 PHE A 11 1.717 5.987 4.080 1.00 0.00 H new ATOM 0 HD2 PHE A 11 2.051 3.512 0.586 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -0.589 6.612 3.419 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -0.255 4.137 -0.075 1.00 0.00 H new ATOM 0 HZ PHE A 11 -1.574 5.687 1.340 1.00 0.00 H new ATOM 174 N THR A 12 5.696 3.414 4.931 1.00 0.00 N ATOM 175 CA THR A 12 6.932 2.648 5.220 1.00 0.00 C ATOM 176 C THR A 12 6.625 1.606 6.287 1.00 0.00 C ATOM 177 O THR A 12 6.758 0.413 6.077 1.00 0.00 O ATOM 178 CB THR A 12 7.916 3.686 5.763 1.00 0.00 C ATOM 179 OG1 THR A 12 7.592 3.989 7.110 1.00 0.00 O ATOM 180 CG2 THR A 12 7.852 4.964 4.925 1.00 0.00 C ATOM 0 H THR A 12 5.728 4.401 5.186 1.00 0.00 H new ATOM 0 HA THR A 12 7.330 2.130 4.347 1.00 0.00 H new ATOM 0 HB THR A 12 8.925 3.277 5.711 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.224 4.653 7.457 1.00 0.00 H new ATOM 0 HG21 THR A 12 8.557 5.695 5.322 1.00 0.00 H new ATOM 0 HG22 THR A 12 8.110 4.735 3.891 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.843 5.375 4.964 1.00 0.00 H new ATOM 188 N GLN A 13 6.195 2.055 7.433 1.00 0.00 N ATOM 189 CA GLN A 13 5.856 1.100 8.524 1.00 0.00 C ATOM 190 C GLN A 13 4.753 0.162 8.044 1.00 0.00 C ATOM 191 O GLN A 13 4.560 -0.919 8.566 1.00 0.00 O ATOM 192 CB GLN A 13 5.368 1.969 9.683 1.00 0.00 C ATOM 193 CG GLN A 13 5.121 1.091 10.912 1.00 0.00 C ATOM 194 CD GLN A 13 4.883 1.978 12.135 1.00 0.00 C ATOM 195 OE1 GLN A 13 5.644 2.888 12.397 1.00 0.00 O ATOM 196 NE2 GLN A 13 3.851 1.750 12.900 1.00 0.00 N ATOM 0 H GLN A 13 6.064 3.041 7.661 1.00 0.00 H new ATOM 0 HA GLN A 13 6.702 0.482 8.824 1.00 0.00 H new ATOM 0 HB2 GLN A 13 6.108 2.735 9.913 1.00 0.00 H new ATOM 0 HB3 GLN A 13 4.451 2.486 9.402 1.00 0.00 H new ATOM 0 HG2 GLN A 13 4.258 0.447 10.744 1.00 0.00 H new ATOM 0 HG3 GLN A 13 5.977 0.439 11.084 1.00 0.00 H new ATOM 0 HE21 GLN A 13 3.212 0.986 12.680 1.00 0.00 H new ATOM 0 HE22 GLN A 13 3.683 2.336 13.718 1.00 0.00 H new ATOM 205 N ASN A 14 4.042 0.570 7.035 1.00 0.00 N ATOM 206 CA ASN A 14 2.955 -0.287 6.487 1.00 0.00 C ATOM 207 C ASN A 14 3.570 -1.474 5.761 1.00 0.00 C ATOM 208 O ASN A 14 3.305 -2.619 6.069 1.00 0.00 O ATOM 209 CB ASN A 14 2.191 0.610 5.513 1.00 0.00 C ATOM 210 CG ASN A 14 1.010 1.260 6.236 1.00 0.00 C ATOM 211 OD1 ASN A 14 -0.007 1.539 5.634 1.00 0.00 O ATOM 212 ND2 ASN A 14 1.103 1.513 7.514 1.00 0.00 N ATOM 0 H ASN A 14 4.166 1.465 6.562 1.00 0.00 H new ATOM 0 HA ASN A 14 2.297 -0.683 7.261 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.853 1.378 5.113 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.834 0.024 4.666 1.00 0.00 H new ATOM 0 HD21 ASN A 14 0.321 1.945 8.007 1.00 0.00 H new ATOM 0 HD22 ASN A 14 1.957 1.279 8.019 1.00 0.00 H new ATOM 219 N LEU A 15 4.406 -1.199 4.810 1.00 0.00 N ATOM 220 CA LEU A 15 5.073 -2.295 4.056 1.00 0.00 C ATOM 221 C LEU A 15 5.529 -3.378 5.031 1.00 0.00 C ATOM 222 O LEU A 15 5.059 -4.495 4.994 1.00 0.00 O ATOM 223 CB LEU A 15 6.280 -1.632 3.386 1.00 0.00 C ATOM 224 CG LEU A 15 6.988 -2.638 2.474 1.00 0.00 C ATOM 225 CD1 LEU A 15 8.013 -1.903 1.608 1.00 0.00 C ATOM 226 CD2 LEU A 15 7.711 -3.687 3.324 1.00 0.00 C ATOM 0 H LEU A 15 4.661 -0.256 4.517 1.00 0.00 H new ATOM 0 HA LEU A 15 4.415 -2.769 3.327 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.956 -0.768 2.806 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.972 -1.266 4.144 1.00 0.00 H new ATOM 0 HG LEU A 15 6.250 -3.129 1.840 1.00 0.00 H new ATOM 0 HD11 LEU A 15 8.519 -2.617 0.958 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.505 -1.154 1.000 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.746 -1.413 2.249 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.213 -4.401 2.671 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.448 -3.196 3.959 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.987 -4.212 3.947 1.00 0.00 H new ATOM 238 N GLY A 16 6.441 -3.051 5.907 1.00 0.00 N ATOM 239 CA GLY A 16 6.933 -4.060 6.890 1.00 0.00 C ATOM 240 C GLY A 16 5.757 -4.888 7.411 1.00 0.00 C ATOM 241 O GLY A 16 5.831 -6.097 7.511 1.00 0.00 O ATOM 0 H GLY A 16 6.867 -2.128 5.985 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.669 -4.712 6.419 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.434 -3.560 7.719 1.00 0.00 H new ATOM 245 N LYS A 17 4.670 -4.247 7.744 1.00 0.00 N ATOM 246 CA LYS A 17 3.488 -4.996 8.261 1.00 0.00 C ATOM 247 C LYS A 17 2.675 -5.583 7.107 1.00 0.00 C ATOM 248 O LYS A 17 2.764 -6.754 6.796 1.00 0.00 O ATOM 249 CB LYS A 17 2.665 -3.956 9.021 1.00 0.00 C ATOM 250 CG LYS A 17 2.910 -4.108 10.523 1.00 0.00 C ATOM 251 CD LYS A 17 4.391 -3.866 10.825 1.00 0.00 C ATOM 252 CE LYS A 17 4.962 -5.068 11.581 1.00 0.00 C ATOM 253 NZ LYS A 17 6.295 -5.311 10.963 1.00 0.00 N ATOM 0 H LYS A 17 4.549 -3.236 7.681 1.00 0.00 H new ATOM 0 HA LYS A 17 3.779 -5.834 8.895 1.00 0.00 H new ATOM 0 HB2 LYS A 17 2.940 -2.952 8.697 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.605 -4.083 8.800 1.00 0.00 H new ATOM 0 HG2 LYS A 17 2.294 -3.399 11.076 1.00 0.00 H new ATOM 0 HG3 LYS A 17 2.619 -5.106 10.851 1.00 0.00 H new ATOM 0 HD2 LYS A 17 4.942 -3.712 9.897 1.00 0.00 H new ATOM 0 HD3 LYS A 17 4.508 -2.960 11.420 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.053 -4.858 12.647 1.00 0.00 H new ATOM 0 HE3 LYS A 17 4.316 -5.940 11.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 6.800 -6.042 11.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 6.169 -5.630 9.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 6.848 -4.430 10.972 1.00 0.00 H new ATOM 267 N PHE A 18 1.875 -4.768 6.490 1.00 0.00 N ATOM 268 CA PHE A 18 1.023 -5.239 5.356 1.00 0.00 C ATOM 269 C PHE A 18 1.764 -6.263 4.501 1.00 0.00 C ATOM 270 O PHE A 18 1.170 -7.144 3.910 1.00 0.00 O ATOM 271 CB PHE A 18 0.713 -3.983 4.542 1.00 0.00 C ATOM 272 CG PHE A 18 -0.520 -3.312 5.100 1.00 0.00 C ATOM 273 CD1 PHE A 18 -0.745 -3.301 6.482 1.00 0.00 C ATOM 274 CD2 PHE A 18 -1.437 -2.702 4.236 1.00 0.00 C ATOM 275 CE1 PHE A 18 -1.888 -2.678 6.999 1.00 0.00 C ATOM 276 CE2 PHE A 18 -2.579 -2.080 4.753 1.00 0.00 C ATOM 277 CZ PHE A 18 -2.806 -2.069 6.135 1.00 0.00 C ATOM 0 H PHE A 18 1.769 -3.780 6.722 1.00 0.00 H new ATOM 0 HA PHE A 18 0.118 -5.733 5.710 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.560 -3.297 4.575 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.556 -4.245 3.496 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.038 -3.772 7.149 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -1.263 -2.711 3.170 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.061 -2.667 8.065 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -3.286 -1.608 4.086 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.689 -1.591 6.534 1.00 0.00 H new ATOM 287 N ALA A 19 3.053 -6.160 4.435 1.00 0.00 N ATOM 288 CA ALA A 19 3.835 -7.133 3.624 1.00 0.00 C ATOM 289 C ALA A 19 3.963 -8.450 4.386 1.00 0.00 C ATOM 290 O ALA A 19 3.306 -9.417 4.070 1.00 0.00 O ATOM 291 CB ALA A 19 5.207 -6.491 3.419 1.00 0.00 C ATOM 0 H ALA A 19 3.605 -5.444 4.907 1.00 0.00 H new ATOM 0 HA ALA A 19 3.357 -7.354 2.670 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.836 -7.157 2.828 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.090 -5.542 2.896 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.675 -6.316 4.388 1.00 0.00 H new ATOM 297 N VAL A 20 4.797 -8.492 5.394 1.00 0.00 N ATOM 298 CA VAL A 20 4.967 -9.749 6.185 1.00 0.00 C ATOM 299 C VAL A 20 3.628 -10.480 6.331 1.00 0.00 C ATOM 300 O VAL A 20 3.582 -11.689 6.435 1.00 0.00 O ATOM 301 CB VAL A 20 5.491 -9.287 7.545 1.00 0.00 C ATOM 302 CG1 VAL A 20 5.275 -10.389 8.586 1.00 0.00 C ATOM 303 CG2 VAL A 20 6.986 -8.981 7.434 1.00 0.00 C ATOM 0 H VAL A 20 5.370 -7.707 5.704 1.00 0.00 H new ATOM 0 HA VAL A 20 5.647 -10.452 5.704 1.00 0.00 H new ATOM 0 HB VAL A 20 4.953 -8.390 7.853 1.00 0.00 H new ATOM 0 HG11 VAL A 20 5.650 -10.054 9.553 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.211 -10.610 8.666 1.00 0.00 H new ATOM 0 HG13 VAL A 20 5.810 -11.288 8.280 1.00 0.00 H new ATOM 0 HG21 VAL A 20 7.363 -8.651 8.402 1.00 0.00 H new ATOM 0 HG22 VAL A 20 7.519 -9.880 7.124 1.00 0.00 H new ATOM 0 HG23 VAL A 20 7.142 -8.194 6.697 1.00 0.00 H new ATOM 313 N ASP A 21 2.536 -9.764 6.327 1.00 0.00 N ATOM 314 CA ASP A 21 1.212 -10.437 6.448 1.00 0.00 C ATOM 315 C ASP A 21 0.641 -10.722 5.060 1.00 0.00 C ATOM 316 O ASP A 21 0.717 -11.831 4.571 1.00 0.00 O ATOM 317 CB ASP A 21 0.327 -9.448 7.208 1.00 0.00 C ATOM 318 CG ASP A 21 -1.072 -10.042 7.381 1.00 0.00 C ATOM 319 OD1 ASP A 21 -1.183 -11.064 8.036 1.00 0.00 O ATOM 320 OD2 ASP A 21 -2.009 -9.463 6.854 1.00 0.00 O ATOM 0 H ASP A 21 2.504 -8.748 6.246 1.00 0.00 H new ATOM 0 HA ASP A 21 1.279 -11.394 6.965 1.00 0.00 H new ATOM 0 HB2 ASP A 21 0.763 -9.228 8.182 1.00 0.00 H new ATOM 0 HB3 ASP A 21 0.268 -8.505 6.665 1.00 0.00 H new ATOM 325 N GLU A 22 0.072 -9.740 4.415 1.00 0.00 N ATOM 326 CA GLU A 22 -0.495 -9.991 3.060 1.00 0.00 C ATOM 327 C GLU A 22 0.531 -10.710 2.197 1.00 0.00 C ATOM 328 O GLU A 22 0.182 -11.438 1.297 1.00 0.00 O ATOM 329 CB GLU A 22 -0.851 -8.616 2.488 1.00 0.00 C ATOM 330 CG GLU A 22 -1.631 -7.814 3.531 1.00 0.00 C ATOM 331 CD GLU A 22 -2.999 -7.431 2.962 1.00 0.00 C ATOM 332 OE1 GLU A 22 -3.431 -8.078 2.023 1.00 0.00 O ATOM 333 OE2 GLU A 22 -3.592 -6.496 3.477 1.00 0.00 O ATOM 0 H GLU A 22 -0.024 -8.786 4.763 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.378 -10.629 3.094 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.056 -8.081 2.207 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.447 -8.731 1.582 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.755 -8.403 4.440 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.076 -6.917 3.806 1.00 0.00 H new ATOM 340 N GLU A 23 1.790 -10.545 2.488 1.00 0.00 N ATOM 341 CA GLU A 23 2.833 -11.264 1.698 1.00 0.00 C ATOM 342 C GLU A 23 2.875 -12.709 2.173 1.00 0.00 C ATOM 343 O GLU A 23 2.555 -13.621 1.438 1.00 0.00 O ATOM 344 CB GLU A 23 4.157 -10.556 1.988 1.00 0.00 C ATOM 345 CG GLU A 23 5.225 -11.043 1.007 1.00 0.00 C ATOM 346 CD GLU A 23 6.161 -9.886 0.654 1.00 0.00 C ATOM 347 OE1 GLU A 23 6.062 -8.853 1.295 1.00 0.00 O ATOM 348 OE2 GLU A 23 6.962 -10.053 -0.251 1.00 0.00 O ATOM 0 H GLU A 23 2.143 -9.947 3.235 1.00 0.00 H new ATOM 0 HA GLU A 23 2.631 -11.259 0.627 1.00 0.00 H new ATOM 0 HB2 GLU A 23 4.031 -9.477 1.898 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.471 -10.756 3.012 1.00 0.00 H new ATOM 0 HG2 GLU A 23 5.793 -11.862 1.449 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.754 -11.432 0.104 1.00 0.00 H new ATOM 355 N ASN A 24 3.222 -12.931 3.413 1.00 0.00 N ATOM 356 CA ASN A 24 3.220 -14.330 3.915 1.00 0.00 C ATOM 357 C ASN A 24 1.879 -14.942 3.536 1.00 0.00 C ATOM 358 O ASN A 24 1.809 -16.011 2.962 1.00 0.00 O ATOM 359 CB ASN A 24 3.367 -14.231 5.435 1.00 0.00 C ATOM 360 CG ASN A 24 4.809 -13.860 5.813 1.00 0.00 C ATOM 361 OD1 ASN A 24 5.109 -13.675 6.976 1.00 0.00 O ATOM 362 ND2 ASN A 24 5.722 -13.739 4.883 1.00 0.00 N ATOM 0 H ASN A 24 3.501 -12.218 4.086 1.00 0.00 H new ATOM 0 HA ASN A 24 4.019 -14.945 3.501 1.00 0.00 H new ATOM 0 HB2 ASN A 24 2.678 -13.481 5.825 1.00 0.00 H new ATOM 0 HB3 ASN A 24 3.097 -15.182 5.895 1.00 0.00 H new ATOM 0 HD21 ASN A 24 6.678 -13.491 5.136 1.00 0.00 H new ATOM 0 HD22 ASN A 24 5.477 -13.893 3.905 1.00 0.00 H new ATOM 369 N LYS A 25 0.807 -14.244 3.811 1.00 0.00 N ATOM 370 CA LYS A 25 -0.523 -14.771 3.415 1.00 0.00 C ATOM 371 C LYS A 25 -0.495 -15.060 1.918 1.00 0.00 C ATOM 372 O LYS A 25 -0.822 -16.140 1.469 1.00 0.00 O ATOM 373 CB LYS A 25 -1.522 -13.657 3.736 1.00 0.00 C ATOM 374 CG LYS A 25 -2.193 -13.941 5.081 1.00 0.00 C ATOM 375 CD LYS A 25 -1.126 -14.075 6.169 1.00 0.00 C ATOM 376 CE LYS A 25 -1.130 -15.505 6.715 1.00 0.00 C ATOM 377 NZ LYS A 25 -0.275 -15.454 7.934 1.00 0.00 N ATOM 0 H LYS A 25 0.799 -13.342 4.288 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.792 -15.690 3.935 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.011 -12.695 3.769 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.274 -13.591 2.950 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -2.883 -13.135 5.332 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -2.781 -14.857 5.019 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.144 -13.833 5.762 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.321 -13.367 6.974 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.141 -15.833 6.956 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.733 -16.208 5.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -0.229 -16.399 8.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 0.683 -15.145 7.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.682 -14.782 8.615 1.00 0.00 H new ATOM 391 N ILE A 26 -0.083 -14.095 1.150 1.00 0.00 N ATOM 392 CA ILE A 26 -0.004 -14.300 -0.330 1.00 0.00 C ATOM 393 C ILE A 26 0.751 -15.599 -0.625 1.00 0.00 C ATOM 394 O ILE A 26 0.576 -16.213 -1.659 1.00 0.00 O ATOM 395 CB ILE A 26 0.746 -13.064 -0.886 1.00 0.00 C ATOM 396 CG1 ILE A 26 -0.235 -12.176 -1.661 1.00 0.00 C ATOM 397 CG2 ILE A 26 1.888 -13.473 -1.827 1.00 0.00 C ATOM 398 CD1 ILE A 26 -1.062 -13.033 -2.623 1.00 0.00 C ATOM 0 H ILE A 26 0.203 -13.172 1.477 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.986 -14.392 -0.795 1.00 0.00 H new ATOM 0 HB ILE A 26 1.170 -12.523 -0.040 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.894 -11.654 -0.967 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.311 -11.414 -2.217 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.391 -12.580 -2.198 1.00 0.00 H new ATOM 0 HG22 ILE A 26 2.602 -14.093 -1.285 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.483 -14.036 -2.668 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.757 -12.397 -3.171 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.397 -13.535 -3.327 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.621 -13.778 -2.057 1.00 0.00 H new ATOM 410 N GLY A 27 1.589 -16.012 0.277 1.00 0.00 N ATOM 411 CA GLY A 27 2.366 -17.264 0.058 1.00 0.00 C ATOM 412 C GLY A 27 3.853 -16.920 -0.047 1.00 0.00 C ATOM 413 O GLY A 27 4.638 -17.669 -0.595 1.00 0.00 O ATOM 0 H GLY A 27 1.772 -15.537 1.161 1.00 0.00 H new ATOM 0 HA2 GLY A 27 2.198 -17.959 0.881 1.00 0.00 H new ATOM 0 HA3 GLY A 27 2.030 -17.760 -0.852 1.00 0.00 H new ATOM 417 N GLN A 28 4.243 -15.792 0.478 1.00 0.00 N ATOM 418 CA GLN A 28 5.676 -15.393 0.419 1.00 0.00 C ATOM 419 C GLN A 28 6.265 -15.382 1.829 1.00 0.00 C ATOM 420 O GLN A 28 6.696 -14.361 2.329 1.00 0.00 O ATOM 421 CB GLN A 28 5.676 -13.985 -0.177 1.00 0.00 C ATOM 422 CG GLN A 28 6.277 -14.025 -1.583 1.00 0.00 C ATOM 423 CD GLN A 28 7.631 -13.313 -1.580 1.00 0.00 C ATOM 424 OE1 GLN A 28 7.729 -12.166 -1.968 1.00 0.00 O ATOM 425 NE2 GLN A 28 8.688 -13.949 -1.154 1.00 0.00 N ATOM 0 H GLN A 28 3.628 -15.127 0.947 1.00 0.00 H new ATOM 0 HA GLN A 28 6.277 -16.080 -0.177 1.00 0.00 H new ATOM 0 HB2 GLN A 28 4.659 -13.595 -0.216 1.00 0.00 H new ATOM 0 HB3 GLN A 28 6.252 -13.310 0.457 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.398 -15.058 -1.909 1.00 0.00 H new ATOM 0 HG3 GLN A 28 5.603 -13.544 -2.292 1.00 0.00 H new ATOM 0 HE21 GLN A 28 8.607 -14.912 -0.828 1.00 0.00 H new ATOM 0 HE22 GLN A 28 9.595 -13.483 -1.147 1.00 0.00 H new ATOM 486 N LEU A 32 11.639 -12.694 5.895 1.00 0.00 N ATOM 487 CA LEU A 32 11.213 -11.360 6.402 1.00 0.00 C ATOM 488 C LEU A 32 10.800 -10.454 5.244 1.00 0.00 C ATOM 489 O LEU A 32 10.827 -10.842 4.092 1.00 0.00 O ATOM 490 CB LEU A 32 12.442 -10.791 7.108 1.00 0.00 C ATOM 491 CG LEU A 32 13.064 -11.867 7.995 1.00 0.00 C ATOM 492 CD1 LEU A 32 14.275 -12.473 7.286 1.00 0.00 C ATOM 493 CD2 LEU A 32 13.506 -11.238 9.317 1.00 0.00 C ATOM 0 HA LEU A 32 10.354 -11.433 7.069 1.00 0.00 H new ATOM 0 HB2 LEU A 32 13.169 -10.445 6.373 1.00 0.00 H new ATOM 0 HB3 LEU A 32 12.161 -9.926 7.710 1.00 0.00 H new ATOM 0 HG LEU A 32 12.331 -12.650 8.191 1.00 0.00 H new ATOM 0 HD11 LEU A 32 14.720 -13.241 7.918 1.00 0.00 H new ATOM 0 HD12 LEU A 32 13.959 -12.918 6.342 1.00 0.00 H new ATOM 0 HD13 LEU A 32 15.011 -11.693 7.091 1.00 0.00 H new ATOM 0 HD21 LEU A 32 13.951 -12.003 9.953 1.00 0.00 H new ATOM 0 HD22 LEU A 32 14.241 -10.457 9.121 1.00 0.00 H new ATOM 0 HD23 LEU A 32 12.642 -10.805 9.821 1.00 0.00 H new ATOM 505 N THR A 33 10.415 -9.250 5.549 1.00 0.00 N ATOM 506 CA THR A 33 9.993 -8.302 4.483 1.00 0.00 C ATOM 507 C THR A 33 10.043 -6.870 5.021 1.00 0.00 C ATOM 508 O THR A 33 9.072 -6.142 4.967 1.00 0.00 O ATOM 509 CB THR A 33 8.553 -8.703 4.150 1.00 0.00 C ATOM 510 OG1 THR A 33 8.246 -9.944 4.774 1.00 0.00 O ATOM 511 CG2 THR A 33 8.389 -8.841 2.636 1.00 0.00 C ATOM 0 H THR A 33 10.374 -8.878 6.498 1.00 0.00 H new ATOM 0 HA THR A 33 10.637 -8.340 3.605 1.00 0.00 H new ATOM 0 HB THR A 33 7.875 -7.933 4.517 1.00 0.00 H new ATOM 0 HG1 THR A 33 7.388 -10.277 4.436 1.00 0.00 H new ATOM 0 HG21 THR A 33 7.363 -9.126 2.406 1.00 0.00 H new ATOM 0 HG22 THR A 33 8.617 -7.889 2.157 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.070 -9.606 2.264 1.00 0.00 H new ATOM 519 N PHE A 34 11.167 -6.462 5.552 1.00 0.00 N ATOM 520 CA PHE A 34 11.260 -5.077 6.101 1.00 0.00 C ATOM 521 C PHE A 34 12.722 -4.631 6.253 1.00 0.00 C ATOM 522 O PHE A 34 13.051 -3.863 7.136 1.00 0.00 O ATOM 523 CB PHE A 34 10.580 -5.151 7.469 1.00 0.00 C ATOM 524 CG PHE A 34 11.489 -5.852 8.451 1.00 0.00 C ATOM 525 CD1 PHE A 34 11.883 -7.175 8.219 1.00 0.00 C ATOM 526 CD2 PHE A 34 11.937 -5.178 9.593 1.00 0.00 C ATOM 527 CE1 PHE A 34 12.727 -7.824 9.130 1.00 0.00 C ATOM 528 CE2 PHE A 34 12.781 -5.826 10.504 1.00 0.00 C ATOM 529 CZ PHE A 34 13.175 -7.149 10.271 1.00 0.00 C ATOM 0 H PHE A 34 12.016 -7.022 5.629 1.00 0.00 H new ATOM 0 HA PHE A 34 10.789 -4.351 5.439 1.00 0.00 H new ATOM 0 HB2 PHE A 34 10.348 -4.147 7.826 1.00 0.00 H new ATOM 0 HB3 PHE A 34 9.634 -5.687 7.387 1.00 0.00 H new ATOM 0 HD1 PHE A 34 11.537 -7.695 7.338 1.00 0.00 H new ATOM 0 HD2 PHE A 34 11.632 -4.158 9.772 1.00 0.00 H new ATOM 0 HE1 PHE A 34 13.032 -8.845 8.952 1.00 0.00 H new ATOM 0 HE2 PHE A 34 13.127 -5.306 11.385 1.00 0.00 H new ATOM 0 HZ PHE A 34 13.826 -7.649 10.973 1.00 0.00 H new ATOM 539 N ASN A 35 13.599 -5.078 5.394 1.00 0.00 N ATOM 540 CA ASN A 35 15.031 -4.635 5.504 1.00 0.00 C ATOM 541 C ASN A 35 15.263 -3.449 4.560 1.00 0.00 C ATOM 542 O ASN A 35 16.230 -2.720 4.652 1.00 0.00 O ATOM 543 CB ASN A 35 15.858 -5.845 5.066 1.00 0.00 C ATOM 544 CG ASN A 35 17.249 -5.769 5.698 1.00 0.00 C ATOM 545 OD1 ASN A 35 17.667 -6.680 6.384 1.00 0.00 O ATOM 546 ND2 ASN A 35 17.986 -4.711 5.496 1.00 0.00 N ATOM 0 H ASN A 35 13.396 -5.722 4.629 1.00 0.00 H new ATOM 0 HA ASN A 35 15.300 -4.313 6.510 1.00 0.00 H new ATOM 0 HB2 ASN A 35 15.360 -6.767 5.367 1.00 0.00 H new ATOM 0 HB3 ASN A 35 15.941 -5.868 3.979 1.00 0.00 H new ATOM 0 HD21 ASN A 35 18.914 -4.649 5.914 1.00 0.00 H new ATOM 0 HD22 ASN A 35 17.634 -3.947 4.920 1.00 0.00 H new ATOM 553 N LYS A 36 14.371 -3.306 3.634 1.00 0.00 N ATOM 554 CA LYS A 36 14.425 -2.244 2.586 1.00 0.00 C ATOM 555 C LYS A 36 14.265 -0.776 3.035 1.00 0.00 C ATOM 556 O LYS A 36 14.754 -0.340 4.057 1.00 0.00 O ATOM 557 CB LYS A 36 13.181 -2.595 1.839 1.00 0.00 C ATOM 558 CG LYS A 36 11.911 -2.110 2.636 1.00 0.00 C ATOM 559 CD LYS A 36 12.040 -2.367 4.145 1.00 0.00 C ATOM 560 CE LYS A 36 10.838 -1.753 4.867 1.00 0.00 C ATOM 561 NZ LYS A 36 11.335 -0.455 5.404 1.00 0.00 N ATOM 0 H LYS A 36 13.557 -3.915 3.552 1.00 0.00 H new ATOM 0 HA LYS A 36 15.398 -2.249 2.094 1.00 0.00 H new ATOM 0 HB2 LYS A 36 13.198 -2.133 0.852 1.00 0.00 H new ATOM 0 HB3 LYS A 36 13.133 -3.673 1.685 1.00 0.00 H new ATOM 0 HG2 LYS A 36 11.760 -1.045 2.462 1.00 0.00 H new ATOM 0 HG3 LYS A 36 11.028 -2.623 2.256 1.00 0.00 H new ATOM 0 HD2 LYS A 36 12.088 -3.438 4.340 1.00 0.00 H new ATOM 0 HD3 LYS A 36 12.966 -1.933 4.522 1.00 0.00 H new ATOM 0 HE2 LYS A 36 10.001 -1.604 4.185 1.00 0.00 H new ATOM 0 HE3 LYS A 36 10.484 -2.402 5.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 10.567 0.027 5.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 12.127 -0.629 6.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 11.659 0.145 4.618 1.00 0.00 H new ATOM 575 N VAL A 37 13.546 -0.032 2.198 1.00 0.00 N ATOM 576 CA VAL A 37 13.267 1.408 2.425 1.00 0.00 C ATOM 577 C VAL A 37 12.056 1.776 1.544 1.00 0.00 C ATOM 578 O VAL A 37 11.488 0.923 0.894 1.00 0.00 O ATOM 579 CB VAL A 37 14.561 2.110 1.972 1.00 0.00 C ATOM 580 CG1 VAL A 37 14.258 3.373 1.155 1.00 0.00 C ATOM 581 CG2 VAL A 37 15.376 2.493 3.206 1.00 0.00 C ATOM 0 H VAL A 37 13.135 -0.398 1.340 1.00 0.00 H new ATOM 0 HA VAL A 37 13.023 1.686 3.450 1.00 0.00 H new ATOM 0 HB VAL A 37 15.122 1.423 1.339 1.00 0.00 H new ATOM 0 HG11 VAL A 37 15.193 3.843 0.852 1.00 0.00 H new ATOM 0 HG12 VAL A 37 13.683 3.104 0.269 1.00 0.00 H new ATOM 0 HG13 VAL A 37 13.682 4.070 1.763 1.00 0.00 H new ATOM 0 HG21 VAL A 37 16.295 2.991 2.895 1.00 0.00 H new ATOM 0 HG22 VAL A 37 14.792 3.167 3.833 1.00 0.00 H new ATOM 0 HG23 VAL A 37 15.624 1.595 3.772 1.00 0.00 H new ATOM 591 N ILE A 38 11.646 3.015 1.509 1.00 0.00 N ATOM 592 CA ILE A 38 10.468 3.371 0.654 1.00 0.00 C ATOM 593 C ILE A 38 10.554 4.824 0.181 1.00 0.00 C ATOM 594 O ILE A 38 10.613 5.749 0.968 1.00 0.00 O ATOM 595 CB ILE A 38 9.233 3.140 1.546 1.00 0.00 C ATOM 596 CG1 ILE A 38 8.043 3.974 1.024 1.00 0.00 C ATOM 597 CG2 ILE A 38 9.542 3.504 3.006 1.00 0.00 C ATOM 598 CD1 ILE A 38 8.031 5.382 1.640 1.00 0.00 C ATOM 0 H ILE A 38 12.065 3.788 2.025 1.00 0.00 H new ATOM 0 HA ILE A 38 10.424 2.766 -0.251 1.00 0.00 H new ATOM 0 HB ILE A 38 8.969 2.083 1.508 1.00 0.00 H new ATOM 0 HG12 ILE A 38 8.099 4.051 -0.062 1.00 0.00 H new ATOM 0 HG13 ILE A 38 7.109 3.464 1.259 1.00 0.00 H new ATOM 0 HG21 ILE A 38 8.657 3.334 3.619 1.00 0.00 H new ATOM 0 HG22 ILE A 38 10.360 2.883 3.370 1.00 0.00 H new ATOM 0 HG23 ILE A 38 9.828 4.554 3.066 1.00 0.00 H new ATOM 0 HD11 ILE A 38 7.181 5.942 1.251 1.00 0.00 H new ATOM 0 HD12 ILE A 38 7.949 5.304 2.724 1.00 0.00 H new ATOM 0 HD13 ILE A 38 8.955 5.900 1.382 1.00 0.00 H new ATOM 610 N ARG A 39 10.553 5.024 -1.110 1.00 0.00 N ATOM 611 CA ARG A 39 10.624 6.407 -1.658 1.00 0.00 C ATOM 612 C ARG A 39 9.455 6.653 -2.627 1.00 0.00 C ATOM 613 O ARG A 39 8.682 7.567 -2.424 1.00 0.00 O ATOM 614 CB ARG A 39 11.968 6.495 -2.382 1.00 0.00 C ATOM 615 CG ARG A 39 12.903 7.429 -1.611 1.00 0.00 C ATOM 616 CD ARG A 39 12.810 8.841 -2.192 1.00 0.00 C ATOM 617 NE ARG A 39 14.220 9.313 -2.280 1.00 0.00 N ATOM 618 CZ ARG A 39 14.945 9.406 -1.199 1.00 0.00 C ATOM 619 NH1 ARG A 39 14.381 9.327 -0.025 1.00 0.00 N ATOM 620 NH2 ARG A 39 16.236 9.577 -1.293 1.00 0.00 N ATOM 0 H ARG A 39 10.506 4.284 -1.811 1.00 0.00 H new ATOM 0 HA ARG A 39 10.548 7.163 -0.876 1.00 0.00 H new ATOM 0 HB2 ARG A 39 12.414 5.504 -2.465 1.00 0.00 H new ATOM 0 HB3 ARG A 39 11.823 6.865 -3.397 1.00 0.00 H new ATOM 0 HG2 ARG A 39 12.633 7.441 -0.555 1.00 0.00 H new ATOM 0 HG3 ARG A 39 13.929 7.066 -1.673 1.00 0.00 H new ATOM 0 HD2 ARG A 39 12.334 8.834 -3.172 1.00 0.00 H new ATOM 0 HD3 ARG A 39 12.214 9.493 -1.553 1.00 0.00 H new ATOM 0 HE ARG A 39 14.619 9.563 -3.185 1.00 0.00 H new ATOM 0 HH11 ARG A 39 13.373 9.192 0.048 1.00 0.00 H new ATOM 0 HH12 ARG A 39 14.949 9.400 0.819 1.00 0.00 H new ATOM 0 HH21 ARG A 39 16.677 9.638 -2.211 1.00 0.00 H new ATOM 0 HH22 ARG A 39 16.804 9.650 -0.449 1.00 0.00 H new ATOM 634 N PRO A 40 9.346 5.830 -3.649 1.00 0.00 N ATOM 635 CA PRO A 40 8.248 5.990 -4.620 1.00 0.00 C ATOM 636 C PRO A 40 6.978 5.274 -4.134 1.00 0.00 C ATOM 637 O PRO A 40 6.321 4.550 -4.865 1.00 0.00 O ATOM 638 CB PRO A 40 8.810 5.376 -5.898 1.00 0.00 C ATOM 639 CG PRO A 40 9.882 4.419 -5.460 1.00 0.00 C ATOM 640 CD PRO A 40 10.208 4.696 -4.006 1.00 0.00 C ATOM 0 HA PRO A 40 7.944 7.027 -4.765 1.00 0.00 H new ATOM 0 HB2 PRO A 40 8.031 4.859 -6.458 1.00 0.00 H new ATOM 0 HB3 PRO A 40 9.218 6.145 -6.554 1.00 0.00 H new ATOM 0 HG2 PRO A 40 9.545 3.390 -5.583 1.00 0.00 H new ATOM 0 HG3 PRO A 40 10.772 4.539 -6.077 1.00 0.00 H new ATOM 0 HD2 PRO A 40 10.002 3.828 -3.380 1.00 0.00 H new ATOM 0 HD3 PRO A 40 11.262 4.941 -3.875 1.00 0.00 H new ATOM 648 N CYS A 41 6.622 5.493 -2.901 1.00 0.00 N ATOM 649 CA CYS A 41 5.388 4.861 -2.354 1.00 0.00 C ATOM 650 C CYS A 41 4.172 5.732 -2.694 1.00 0.00 C ATOM 651 O CYS A 41 4.171 6.928 -2.467 1.00 0.00 O ATOM 652 CB CYS A 41 5.608 4.819 -0.844 1.00 0.00 C ATOM 653 SG CYS A 41 5.107 3.204 -0.207 1.00 0.00 S ATOM 0 H CYS A 41 7.133 6.084 -2.245 1.00 0.00 H new ATOM 0 HA CYS A 41 5.204 3.869 -2.766 1.00 0.00 H new ATOM 0 HB2 CYS A 41 6.657 5.003 -0.613 1.00 0.00 H new ATOM 0 HB3 CYS A 41 5.032 5.608 -0.360 1.00 0.00 H new ATOM 0 HG CYS A 41 3.848 3.007 -0.465 1.00 0.00 H new ATOM 659 N MET A 42 3.138 5.153 -3.243 1.00 0.00 N ATOM 660 CA MET A 42 1.938 5.966 -3.599 1.00 0.00 C ATOM 661 C MET A 42 0.653 5.276 -3.125 1.00 0.00 C ATOM 662 O MET A 42 0.636 4.094 -2.846 1.00 0.00 O ATOM 663 CB MET A 42 1.962 6.055 -5.124 1.00 0.00 C ATOM 664 CG MET A 42 2.802 7.258 -5.555 1.00 0.00 C ATOM 665 SD MET A 42 2.649 7.492 -7.343 1.00 0.00 S ATOM 666 CE MET A 42 3.392 5.919 -7.842 1.00 0.00 C ATOM 0 H MET A 42 3.072 4.158 -3.460 1.00 0.00 H new ATOM 0 HA MET A 42 1.957 6.948 -3.126 1.00 0.00 H new ATOM 0 HB2 MET A 42 2.377 5.139 -5.545 1.00 0.00 H new ATOM 0 HB3 MET A 42 0.947 6.151 -5.509 1.00 0.00 H new ATOM 0 HG2 MET A 42 2.469 8.154 -5.031 1.00 0.00 H new ATOM 0 HG3 MET A 42 3.847 7.101 -5.286 1.00 0.00 H new ATOM 0 HE1 MET A 42 2.777 5.455 -8.613 1.00 0.00 H new ATOM 0 HE2 MET A 42 4.393 6.098 -8.235 1.00 0.00 H new ATOM 0 HE3 MET A 42 3.454 5.256 -6.979 1.00 0.00 H new ATOM 676 N LYS A 43 -0.430 6.004 -3.033 1.00 0.00 N ATOM 677 CA LYS A 43 -1.711 5.380 -2.583 1.00 0.00 C ATOM 678 C LYS A 43 -2.836 5.717 -3.567 1.00 0.00 C ATOM 679 O LYS A 43 -2.774 6.698 -4.282 1.00 0.00 O ATOM 680 CB LYS A 43 -1.994 5.995 -1.211 1.00 0.00 C ATOM 681 CG LYS A 43 -3.148 5.245 -0.544 1.00 0.00 C ATOM 682 CD LYS A 43 -3.944 6.209 0.338 1.00 0.00 C ATOM 683 CE LYS A 43 -4.931 6.998 -0.527 1.00 0.00 C ATOM 684 NZ LYS A 43 -5.281 8.196 0.286 1.00 0.00 N ATOM 0 H LYS A 43 -0.483 6.999 -3.249 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.646 4.293 -2.534 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.102 5.942 -0.586 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.246 7.050 -1.319 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.798 4.809 -1.302 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.761 4.422 0.056 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.481 5.655 1.108 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.267 6.892 0.851 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.482 7.284 -1.478 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.816 6.405 -0.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.370 9.024 -0.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.184 8.032 0.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.534 8.370 0.988 1.00 0.00 H new ATOM 698 N LYS A 44 -3.864 4.912 -3.613 1.00 0.00 N ATOM 699 CA LYS A 44 -4.987 5.190 -4.556 1.00 0.00 C ATOM 700 C LYS A 44 -6.261 4.470 -4.103 1.00 0.00 C ATOM 701 O LYS A 44 -6.337 3.258 -4.107 1.00 0.00 O ATOM 702 CB LYS A 44 -4.515 4.643 -5.903 1.00 0.00 C ATOM 703 CG LYS A 44 -4.619 5.740 -6.964 1.00 0.00 C ATOM 704 CD LYS A 44 -4.871 5.105 -8.332 1.00 0.00 C ATOM 705 CE LYS A 44 -6.302 5.409 -8.781 1.00 0.00 C ATOM 706 NZ LYS A 44 -6.561 4.464 -9.904 1.00 0.00 N ATOM 0 H LYS A 44 -3.975 4.076 -3.040 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.227 6.252 -4.604 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.485 4.294 -5.825 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.121 3.785 -6.192 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.429 6.426 -6.715 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.700 6.326 -6.987 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.160 5.493 -9.061 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.717 4.027 -8.278 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.012 5.259 -7.967 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.403 6.445 -9.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -7.525 4.611 -10.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.875 4.635 -10.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.465 3.486 -9.564 1.00 0.00 H new ATOM 720 N THR A 45 -7.265 5.207 -3.714 1.00 0.00 N ATOM 721 CA THR A 45 -8.531 4.560 -3.265 1.00 0.00 C ATOM 722 C THR A 45 -9.709 5.044 -4.112 1.00 0.00 C ATOM 723 O THR A 45 -9.701 6.133 -4.649 1.00 0.00 O ATOM 724 CB THR A 45 -8.710 5.002 -1.808 1.00 0.00 C ATOM 725 OG1 THR A 45 -7.737 4.356 -0.998 1.00 0.00 O ATOM 726 CG2 THR A 45 -10.117 4.630 -1.317 1.00 0.00 C ATOM 0 H THR A 45 -7.264 6.227 -3.687 1.00 0.00 H new ATOM 0 HA THR A 45 -8.491 3.475 -3.365 1.00 0.00 H new ATOM 0 HB THR A 45 -8.584 6.083 -1.741 1.00 0.00 H new ATOM 0 HG1 THR A 45 -8.182 3.898 -0.254 1.00 0.00 H new ATOM 0 HG21 THR A 45 -10.237 4.947 -0.281 1.00 0.00 H new ATOM 0 HG22 THR A 45 -10.862 5.128 -1.937 1.00 0.00 H new ATOM 0 HG23 THR A 45 -10.252 3.550 -1.384 1.00 0.00 H new ATOM 734 N ILE A 46 -10.735 4.245 -4.212 1.00 0.00 N ATOM 735 CA ILE A 46 -11.933 4.652 -4.994 1.00 0.00 C ATOM 736 C ILE A 46 -13.144 4.597 -4.074 1.00 0.00 C ATOM 737 O ILE A 46 -14.042 3.796 -4.247 1.00 0.00 O ATOM 738 CB ILE A 46 -12.067 3.618 -6.102 1.00 0.00 C ATOM 739 CG1 ILE A 46 -13.392 3.845 -6.832 1.00 0.00 C ATOM 740 CG2 ILE A 46 -12.052 2.222 -5.483 1.00 0.00 C ATOM 741 CD1 ILE A 46 -13.117 4.158 -8.302 1.00 0.00 C ATOM 0 H ILE A 46 -10.794 3.322 -3.782 1.00 0.00 H new ATOM 0 HA ILE A 46 -11.853 5.659 -5.403 1.00 0.00 H new ATOM 0 HB ILE A 46 -11.241 3.711 -6.807 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -14.021 2.959 -6.749 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -13.938 4.668 -6.370 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -12.148 1.474 -6.270 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -11.113 2.070 -4.950 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -12.884 2.124 -4.786 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -14.061 4.320 -8.822 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -12.504 5.057 -8.374 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -12.589 3.321 -8.760 1.00 0.00 H new ATOM 898 N GLY A 55 -13.636 1.259 -2.196 1.00 0.00 N ATOM 899 CA GLY A 55 -12.456 0.380 -2.430 1.00 0.00 C ATOM 900 C GLY A 55 -11.177 1.104 -2.022 1.00 0.00 C ATOM 901 O GLY A 55 -10.935 2.227 -2.413 1.00 0.00 O ATOM 0 HA2 GLY A 55 -12.560 -0.542 -1.858 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -12.405 0.099 -3.482 1.00 0.00 H new ATOM 905 N TYR A 56 -10.352 0.464 -1.240 1.00 0.00 N ATOM 906 CA TYR A 56 -9.086 1.111 -0.809 1.00 0.00 C ATOM 907 C TYR A 56 -7.884 0.276 -1.257 1.00 0.00 C ATOM 908 O TYR A 56 -7.533 -0.709 -0.637 1.00 0.00 O ATOM 909 CB TYR A 56 -9.163 1.164 0.716 1.00 0.00 C ATOM 910 CG TYR A 56 -8.004 1.972 1.250 1.00 0.00 C ATOM 911 CD1 TYR A 56 -6.707 1.446 1.211 1.00 0.00 C ATOM 912 CD2 TYR A 56 -8.226 3.248 1.783 1.00 0.00 C ATOM 913 CE1 TYR A 56 -5.633 2.196 1.704 1.00 0.00 C ATOM 914 CE2 TYR A 56 -7.151 3.997 2.277 1.00 0.00 C ATOM 915 CZ TYR A 56 -5.855 3.471 2.238 1.00 0.00 C ATOM 916 OH TYR A 56 -4.796 4.210 2.724 1.00 0.00 O ATOM 0 H TYR A 56 -10.502 -0.479 -0.882 1.00 0.00 H new ATOM 0 HA TYR A 56 -8.963 2.103 -1.244 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -10.107 1.611 1.028 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -9.137 0.155 1.128 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -6.535 0.462 0.801 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -9.226 3.654 1.813 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -4.632 1.791 1.672 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -7.322 4.981 2.688 1.00 0.00 H new ATOM 0 HH TYR A 56 -5.119 5.084 3.028 1.00 0.00 H new ATOM 926 N GLU A 57 -7.247 0.668 -2.325 1.00 0.00 N ATOM 927 CA GLU A 57 -6.063 -0.092 -2.811 1.00 0.00 C ATOM 928 C GLU A 57 -4.859 0.847 -2.888 1.00 0.00 C ATOM 929 O GLU A 57 -4.987 2.035 -2.676 1.00 0.00 O ATOM 930 CB GLU A 57 -6.456 -0.594 -4.202 1.00 0.00 C ATOM 931 CG GLU A 57 -5.212 -1.091 -4.939 1.00 0.00 C ATOM 932 CD GLU A 57 -5.625 -1.725 -6.269 1.00 0.00 C ATOM 933 OE1 GLU A 57 -6.804 -1.986 -6.437 1.00 0.00 O ATOM 934 OE2 GLU A 57 -4.754 -1.942 -7.095 1.00 0.00 O ATOM 0 H GLU A 57 -7.497 1.484 -2.883 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.789 -0.918 -2.155 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -7.186 -1.399 -4.116 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.930 0.208 -4.768 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.526 -0.262 -5.116 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.680 -1.819 -4.327 1.00 0.00 H new ATOM 941 N TYR A 58 -3.690 0.345 -3.177 1.00 0.00 N ATOM 942 CA TYR A 58 -2.518 1.277 -3.240 1.00 0.00 C ATOM 943 C TYR A 58 -1.320 0.688 -3.986 1.00 0.00 C ATOM 944 O TYR A 58 -1.280 -0.479 -4.331 1.00 0.00 O ATOM 945 CB TYR A 58 -2.163 1.561 -1.769 1.00 0.00 C ATOM 946 CG TYR A 58 -1.000 0.703 -1.275 1.00 0.00 C ATOM 947 CD1 TYR A 58 -0.878 -0.647 -1.653 1.00 0.00 C ATOM 948 CD2 TYR A 58 -0.057 1.261 -0.402 1.00 0.00 C ATOM 949 CE1 TYR A 58 0.175 -1.420 -1.156 1.00 0.00 C ATOM 950 CE2 TYR A 58 0.997 0.487 0.087 1.00 0.00 C ATOM 951 CZ TYR A 58 1.112 -0.853 -0.286 1.00 0.00 C ATOM 952 OH TYR A 58 2.150 -1.620 0.202 1.00 0.00 O ATOM 0 H TYR A 58 -3.493 -0.638 -3.368 1.00 0.00 H new ATOM 0 HA TYR A 58 -2.772 2.178 -3.798 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -1.907 2.615 -1.657 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -3.038 1.377 -1.145 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -1.598 -1.086 -2.327 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -0.146 2.296 -0.106 1.00 0.00 H new ATOM 0 HE1 TYR A 58 0.265 -2.457 -1.444 1.00 0.00 H new ATOM 0 HE2 TYR A 58 1.724 0.926 0.754 1.00 0.00 H new ATOM 0 HH TYR A 58 2.405 -2.289 -0.467 1.00 0.00 H new ATOM 962 N GLN A 59 -0.327 1.509 -4.184 1.00 0.00 N ATOM 963 CA GLN A 59 0.922 1.066 -4.851 1.00 0.00 C ATOM 964 C GLN A 59 2.100 1.479 -3.963 1.00 0.00 C ATOM 965 O GLN A 59 2.248 2.632 -3.614 1.00 0.00 O ATOM 966 CB GLN A 59 0.956 1.804 -6.192 1.00 0.00 C ATOM 967 CG GLN A 59 0.538 3.262 -5.989 1.00 0.00 C ATOM 968 CD GLN A 59 0.612 4.007 -7.325 1.00 0.00 C ATOM 969 OE1 GLN A 59 0.766 5.212 -7.353 1.00 0.00 O ATOM 970 NE2 GLN A 59 0.509 3.337 -8.440 1.00 0.00 N ATOM 0 H GLN A 59 -0.332 2.490 -3.904 1.00 0.00 H new ATOM 0 HA GLN A 59 0.974 -0.011 -5.008 1.00 0.00 H new ATOM 0 HB2 GLN A 59 1.958 1.759 -6.618 1.00 0.00 H new ATOM 0 HB3 GLN A 59 0.286 1.319 -6.902 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -0.476 3.308 -5.591 1.00 0.00 H new ATOM 0 HG3 GLN A 59 1.190 3.740 -5.258 1.00 0.00 H new ATOM 0 HE21 GLN A 59 0.380 2.325 -8.417 1.00 0.00 H new ATOM 0 HE22 GLN A 59 0.558 3.825 -9.334 1.00 0.00 H new ATOM 979 N LEU A 60 2.925 0.554 -3.583 1.00 0.00 N ATOM 980 CA LEU A 60 4.072 0.893 -2.702 1.00 0.00 C ATOM 981 C LEU A 60 5.359 0.576 -3.440 1.00 0.00 C ATOM 982 O LEU A 60 6.042 -0.383 -3.146 1.00 0.00 O ATOM 983 CB LEU A 60 3.884 -0.008 -1.479 1.00 0.00 C ATOM 984 CG LEU A 60 5.114 0.043 -0.575 1.00 0.00 C ATOM 985 CD1 LEU A 60 4.695 0.463 0.836 1.00 0.00 C ATOM 986 CD2 LEU A 60 5.744 -1.345 -0.513 1.00 0.00 C ATOM 0 H LEU A 60 2.856 -0.429 -3.845 1.00 0.00 H new ATOM 0 HA LEU A 60 4.120 1.943 -2.415 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.003 0.308 -0.920 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.706 -1.034 -1.801 1.00 0.00 H new ATOM 0 HG LEU A 60 5.830 0.762 -0.973 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.573 0.499 1.481 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.231 1.449 0.799 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.982 -0.259 1.234 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.623 -1.317 0.131 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.022 -2.055 -0.110 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.038 -1.656 -1.515 1.00 0.00 H new ATOM 998 N TYR A 61 5.684 1.376 -4.415 1.00 0.00 N ATOM 999 CA TYR A 61 6.909 1.125 -5.199 1.00 0.00 C ATOM 1000 C TYR A 61 8.136 1.441 -4.346 1.00 0.00 C ATOM 1001 O TYR A 61 8.445 2.583 -4.085 1.00 0.00 O ATOM 1002 CB TYR A 61 6.771 2.065 -6.386 1.00 0.00 C ATOM 1003 CG TYR A 61 7.654 1.600 -7.520 1.00 0.00 C ATOM 1004 CD1 TYR A 61 9.006 1.321 -7.290 1.00 0.00 C ATOM 1005 CD2 TYR A 61 7.116 1.451 -8.804 1.00 0.00 C ATOM 1006 CE1 TYR A 61 9.821 0.892 -8.344 1.00 0.00 C ATOM 1007 CE2 TYR A 61 7.931 1.022 -9.858 1.00 0.00 C ATOM 1008 CZ TYR A 61 9.283 0.742 -9.628 1.00 0.00 C ATOM 1009 OH TYR A 61 10.086 0.321 -10.668 1.00 0.00 O ATOM 0 H TYR A 61 5.147 2.195 -4.699 1.00 0.00 H new ATOM 0 HA TYR A 61 7.031 0.091 -5.520 1.00 0.00 H new ATOM 0 HB2 TYR A 61 5.732 2.099 -6.714 1.00 0.00 H new ATOM 0 HB3 TYR A 61 7.046 3.078 -6.092 1.00 0.00 H new ATOM 0 HD1 TYR A 61 9.420 1.437 -6.299 1.00 0.00 H new ATOM 0 HD2 TYR A 61 6.073 1.667 -8.981 1.00 0.00 H new ATOM 0 HE1 TYR A 61 10.864 0.677 -8.167 1.00 0.00 H new ATOM 0 HE2 TYR A 61 7.517 0.907 -10.849 1.00 0.00 H new ATOM 0 HH TYR A 61 9.556 0.269 -11.490 1.00 0.00 H new ATOM 1019 N VAL A 62 8.822 0.422 -3.903 1.00 0.00 N ATOM 1020 CA VAL A 62 10.027 0.603 -3.049 1.00 0.00 C ATOM 1021 C VAL A 62 10.798 -0.704 -3.059 1.00 0.00 C ATOM 1022 O VAL A 62 10.815 -1.431 -4.032 1.00 0.00 O ATOM 1023 CB VAL A 62 9.501 0.877 -1.629 1.00 0.00 C ATOM 1024 CG1 VAL A 62 8.539 2.062 -1.618 1.00 0.00 C ATOM 1025 CG2 VAL A 62 8.774 -0.357 -1.100 1.00 0.00 C ATOM 0 H VAL A 62 8.590 -0.551 -4.103 1.00 0.00 H new ATOM 0 HA VAL A 62 10.673 1.411 -3.393 1.00 0.00 H new ATOM 0 HB VAL A 62 10.355 1.111 -0.993 1.00 0.00 H new ATOM 0 HG11 VAL A 62 8.183 2.232 -0.602 1.00 0.00 H new ATOM 0 HG12 VAL A 62 9.055 2.953 -1.976 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.691 1.848 -2.268 1.00 0.00 H new ATOM 0 HG21 VAL A 62 8.404 -0.158 -0.094 1.00 0.00 H new ATOM 0 HG22 VAL A 62 7.936 -0.594 -1.755 1.00 0.00 H new ATOM 0 HG23 VAL A 62 9.463 -1.201 -1.072 1.00 0.00 H new ATOM 1035 N TYR A 63 11.382 -1.029 -1.961 1.00 0.00 N ATOM 1036 CA TYR A 63 12.107 -2.316 -1.841 1.00 0.00 C ATOM 1037 C TYR A 63 11.707 -2.933 -0.505 1.00 0.00 C ATOM 1038 O TYR A 63 11.231 -2.216 0.347 1.00 0.00 O ATOM 1039 CB TYR A 63 13.594 -1.954 -1.856 1.00 0.00 C ATOM 1040 CG TYR A 63 14.409 -3.178 -1.514 1.00 0.00 C ATOM 1041 CD1 TYR A 63 14.234 -4.362 -2.240 1.00 0.00 C ATOM 1042 CD2 TYR A 63 15.336 -3.130 -0.467 1.00 0.00 C ATOM 1043 CE1 TYR A 63 14.985 -5.499 -1.917 1.00 0.00 C ATOM 1044 CE2 TYR A 63 16.088 -4.266 -0.146 1.00 0.00 C ATOM 1045 CZ TYR A 63 15.912 -5.451 -0.870 1.00 0.00 C ATOM 1046 OH TYR A 63 16.652 -6.571 -0.551 1.00 0.00 O ATOM 0 H TYR A 63 11.392 -0.451 -1.120 1.00 0.00 H new ATOM 0 HA TYR A 63 11.884 -3.026 -2.637 1.00 0.00 H new ATOM 0 HB2 TYR A 63 13.878 -1.577 -2.838 1.00 0.00 H new ATOM 0 HB3 TYR A 63 13.794 -1.158 -1.139 1.00 0.00 H new ATOM 0 HD1 TYR A 63 13.520 -4.399 -3.049 1.00 0.00 H new ATOM 0 HD2 TYR A 63 15.471 -2.217 0.093 1.00 0.00 H new ATOM 0 HE1 TYR A 63 14.849 -6.413 -2.476 1.00 0.00 H new ATOM 0 HE2 TYR A 63 16.805 -4.228 0.661 1.00 0.00 H new ATOM 0 HH TYR A 63 17.249 -6.366 0.199 1.00 0.00 H new ATOM 1056 N ALA A 64 11.911 -4.225 -0.310 1.00 0.00 N ATOM 1057 CA ALA A 64 11.564 -4.895 1.002 1.00 0.00 C ATOM 1058 C ALA A 64 12.703 -5.838 1.394 1.00 0.00 C ATOM 1059 O ALA A 64 13.862 -5.524 1.216 1.00 0.00 O ATOM 1060 CB ALA A 64 10.284 -5.687 0.745 1.00 0.00 C ATOM 0 H ALA A 64 12.307 -4.851 -1.011 1.00 0.00 H new ATOM 0 HA ALA A 64 11.423 -4.177 1.810 1.00 0.00 H new ATOM 0 HB1 ALA A 64 9.981 -6.196 1.660 1.00 0.00 H new ATOM 0 HB2 ALA A 64 9.493 -5.007 0.429 1.00 0.00 H new ATOM 0 HB3 ALA A 64 10.463 -6.424 -0.038 1.00 0.00 H new ATOM 1066 N SER A 65 12.393 -6.986 1.917 1.00 0.00 N ATOM 1067 CA SER A 65 13.470 -7.946 2.266 1.00 0.00 C ATOM 1068 C SER A 65 13.777 -8.784 1.014 1.00 0.00 C ATOM 1069 O SER A 65 14.647 -9.633 1.011 1.00 0.00 O ATOM 1070 CB SER A 65 12.896 -8.821 3.380 1.00 0.00 C ATOM 1071 OG SER A 65 13.916 -9.680 3.873 1.00 0.00 O ATOM 0 H SER A 65 11.444 -7.301 2.118 1.00 0.00 H new ATOM 0 HA SER A 65 14.391 -7.465 2.594 1.00 0.00 H new ATOM 0 HB2 SER A 65 12.509 -8.197 4.186 1.00 0.00 H new ATOM 0 HB3 SER A 65 12.060 -9.409 3.002 1.00 0.00 H new ATOM 0 HG SER A 65 14.532 -9.908 3.145 1.00 0.00 H new ATOM 1077 N ASP A 66 13.052 -8.536 -0.056 1.00 0.00 N ATOM 1078 CA ASP A 66 13.266 -9.289 -1.327 1.00 0.00 C ATOM 1079 C ASP A 66 12.243 -8.830 -2.381 1.00 0.00 C ATOM 1080 O ASP A 66 11.788 -9.603 -3.201 1.00 0.00 O ATOM 1081 CB ASP A 66 13.043 -10.757 -0.962 1.00 0.00 C ATOM 1082 CG ASP A 66 14.188 -11.602 -1.524 1.00 0.00 C ATOM 1083 OD1 ASP A 66 14.454 -11.490 -2.709 1.00 0.00 O ATOM 1084 OD2 ASP A 66 14.779 -12.348 -0.759 1.00 0.00 O ATOM 0 H ASP A 66 12.313 -7.834 -0.097 1.00 0.00 H new ATOM 0 HA ASP A 66 14.258 -9.125 -1.748 1.00 0.00 H new ATOM 0 HB2 ASP A 66 12.991 -10.870 0.121 1.00 0.00 H new ATOM 0 HB3 ASP A 66 12.091 -11.102 -1.364 1.00 0.00 H new ATOM 1089 N LYS A 67 11.877 -7.572 -2.353 1.00 0.00 N ATOM 1090 CA LYS A 67 10.879 -7.038 -3.336 1.00 0.00 C ATOM 1091 C LYS A 67 11.424 -5.760 -3.983 1.00 0.00 C ATOM 1092 O LYS A 67 11.261 -4.679 -3.469 1.00 0.00 O ATOM 1093 CB LYS A 67 9.633 -6.753 -2.489 1.00 0.00 C ATOM 1094 CG LYS A 67 8.884 -5.509 -2.991 1.00 0.00 C ATOM 1095 CD LYS A 67 9.111 -4.359 -2.024 1.00 0.00 C ATOM 1096 CE LYS A 67 8.757 -3.052 -2.718 1.00 0.00 C ATOM 1097 NZ LYS A 67 7.308 -2.873 -2.453 1.00 0.00 N ATOM 0 H LYS A 67 12.229 -6.885 -1.686 1.00 0.00 H new ATOM 0 HA LYS A 67 10.662 -7.727 -4.152 1.00 0.00 H new ATOM 0 HB2 LYS A 67 8.967 -7.616 -2.517 1.00 0.00 H new ATOM 0 HB3 LYS A 67 9.924 -6.609 -1.449 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.235 -5.236 -3.986 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.818 -5.722 -3.076 1.00 0.00 H new ATOM 0 HD2 LYS A 67 8.498 -4.490 -1.132 1.00 0.00 H new ATOM 0 HD3 LYS A 67 10.150 -4.342 -1.696 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.339 -2.221 -2.320 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.962 -3.102 -3.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 6.991 -1.967 -2.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 6.776 -3.651 -2.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 7.140 -2.875 -1.427 1.00 0.00 H new ATOM 1111 N LEU A 68 12.056 -5.880 -5.110 1.00 0.00 N ATOM 1112 CA LEU A 68 12.607 -4.670 -5.801 1.00 0.00 C ATOM 1113 C LEU A 68 11.558 -4.055 -6.730 1.00 0.00 C ATOM 1114 O LEU A 68 11.646 -4.189 -7.934 1.00 0.00 O ATOM 1115 CB LEU A 68 13.775 -5.191 -6.640 1.00 0.00 C ATOM 1116 CG LEU A 68 15.104 -4.908 -5.936 1.00 0.00 C ATOM 1117 CD1 LEU A 68 15.172 -3.435 -5.530 1.00 0.00 C ATOM 1118 CD2 LEU A 68 15.216 -5.788 -4.691 1.00 0.00 C ATOM 0 H LEU A 68 12.220 -6.764 -5.591 1.00 0.00 H new ATOM 0 HA LEU A 68 12.905 -3.902 -5.087 1.00 0.00 H new ATOM 0 HB2 LEU A 68 13.664 -6.263 -6.804 1.00 0.00 H new ATOM 0 HB3 LEU A 68 13.767 -4.716 -7.621 1.00 0.00 H new ATOM 0 HG LEU A 68 15.927 -5.130 -6.615 1.00 0.00 H new ATOM 0 HD11 LEU A 68 16.120 -3.239 -5.029 1.00 0.00 H new ATOM 0 HD12 LEU A 68 15.095 -2.809 -6.419 1.00 0.00 H new ATOM 0 HD13 LEU A 68 14.350 -3.206 -4.852 1.00 0.00 H new ATOM 0 HD21 LEU A 68 16.162 -5.588 -4.188 1.00 0.00 H new ATOM 0 HD22 LEU A 68 14.391 -5.567 -4.014 1.00 0.00 H new ATOM 0 HD23 LEU A 68 15.175 -6.838 -4.982 1.00 0.00 H new ATOM 1130 N PHE A 69 10.568 -3.377 -6.206 1.00 0.00 N ATOM 1131 CA PHE A 69 9.545 -2.769 -7.106 1.00 0.00 C ATOM 1132 C PHE A 69 8.377 -2.209 -6.292 1.00 0.00 C ATOM 1133 O PHE A 69 8.504 -1.174 -5.685 1.00 0.00 O ATOM 1134 CB PHE A 69 9.076 -3.872 -8.066 1.00 0.00 C ATOM 1135 CG PHE A 69 9.218 -5.250 -7.446 1.00 0.00 C ATOM 1136 CD1 PHE A 69 8.652 -5.534 -6.197 1.00 0.00 C ATOM 1137 CD2 PHE A 69 9.934 -6.242 -8.128 1.00 0.00 C ATOM 1138 CE1 PHE A 69 8.800 -6.807 -5.635 1.00 0.00 C ATOM 1139 CE2 PHE A 69 10.083 -7.515 -7.564 1.00 0.00 C ATOM 1140 CZ PHE A 69 9.514 -7.798 -6.318 1.00 0.00 C ATOM 0 H PHE A 69 10.426 -3.220 -5.208 1.00 0.00 H new ATOM 0 HA PHE A 69 9.966 -1.934 -7.666 1.00 0.00 H new ATOM 0 HB2 PHE A 69 8.034 -3.700 -8.337 1.00 0.00 H new ATOM 0 HB3 PHE A 69 9.657 -3.825 -8.987 1.00 0.00 H new ATOM 0 HD1 PHE A 69 8.101 -4.771 -5.668 1.00 0.00 H new ATOM 0 HD2 PHE A 69 10.372 -6.025 -9.091 1.00 0.00 H new ATOM 0 HE1 PHE A 69 8.362 -7.025 -4.672 1.00 0.00 H new ATOM 0 HE2 PHE A 69 10.637 -8.278 -8.091 1.00 0.00 H new ATOM 0 HZ PHE A 69 9.626 -8.780 -5.883 1.00 0.00 H new ATOM 1150 N ARG A 70 7.236 -2.855 -6.277 1.00 0.00 N ATOM 1151 CA ARG A 70 6.094 -2.289 -5.497 1.00 0.00 C ATOM 1152 C ARG A 70 5.316 -3.355 -4.744 1.00 0.00 C ATOM 1153 O ARG A 70 5.134 -4.464 -5.205 1.00 0.00 O ATOM 1154 CB ARG A 70 5.162 -1.672 -6.534 1.00 0.00 C ATOM 1155 CG ARG A 70 3.900 -1.105 -5.844 1.00 0.00 C ATOM 1156 CD ARG A 70 2.851 -0.783 -6.910 1.00 0.00 C ATOM 1157 NE ARG A 70 3.553 0.091 -7.889 1.00 0.00 N ATOM 1158 CZ ARG A 70 3.450 -0.148 -9.169 1.00 0.00 C ATOM 1159 NH1 ARG A 70 2.396 0.255 -9.825 1.00 0.00 N ATOM 1160 NH2 ARG A 70 4.401 -0.790 -9.791 1.00 0.00 N ATOM 0 H ARG A 70 7.049 -3.733 -6.761 1.00 0.00 H new ATOM 0 HA ARG A 70 6.470 -1.582 -4.758 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.679 -0.878 -7.072 1.00 0.00 H new ATOM 0 HB3 ARG A 70 4.877 -2.423 -7.271 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.503 -1.829 -5.132 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.151 -0.207 -5.280 1.00 0.00 H new ATOM 0 HD2 ARG A 70 2.480 -1.691 -7.386 1.00 0.00 H new ATOM 0 HD3 ARG A 70 1.989 -0.276 -6.475 1.00 0.00 H new ATOM 0 HE ARG A 70 4.115 0.877 -7.560 1.00 0.00 H new ATOM 0 HH11 ARG A 70 1.653 0.756 -9.338 1.00 0.00 H new ATOM 0 HH12 ARG A 70 2.315 0.069 -10.825 1.00 0.00 H new ATOM 0 HH21 ARG A 70 5.224 -1.105 -9.278 1.00 0.00 H new ATOM 0 HH22 ARG A 70 4.321 -0.977 -10.791 1.00 0.00 H new ATOM 1174 N ALA A 71 4.794 -2.985 -3.616 1.00 0.00 N ATOM 1175 CA ALA A 71 3.948 -3.914 -2.840 1.00 0.00 C ATOM 1176 C ALA A 71 2.518 -3.407 -2.982 1.00 0.00 C ATOM 1177 O ALA A 71 2.150 -2.416 -2.387 1.00 0.00 O ATOM 1178 CB ALA A 71 4.426 -3.811 -1.393 1.00 0.00 C ATOM 0 H ALA A 71 4.921 -2.065 -3.195 1.00 0.00 H new ATOM 0 HA ALA A 71 4.001 -4.951 -3.171 1.00 0.00 H new ATOM 0 HB1 ALA A 71 3.835 -4.479 -0.766 1.00 0.00 H new ATOM 0 HB2 ALA A 71 5.477 -4.095 -1.336 1.00 0.00 H new ATOM 0 HB3 ALA A 71 4.308 -2.786 -1.043 1.00 0.00 H new ATOM 1184 N ASP A 72 1.723 -4.034 -3.799 1.00 0.00 N ATOM 1185 CA ASP A 72 0.335 -3.538 -3.991 1.00 0.00 C ATOM 1186 C ASP A 72 -0.574 -4.080 -2.894 1.00 0.00 C ATOM 1187 O ASP A 72 -0.256 -5.050 -2.239 1.00 0.00 O ATOM 1188 CB ASP A 72 -0.093 -4.077 -5.357 1.00 0.00 C ATOM 1189 CG ASP A 72 -0.810 -2.975 -6.138 1.00 0.00 C ATOM 1190 OD1 ASP A 72 -0.132 -2.099 -6.649 1.00 0.00 O ATOM 1191 OD2 ASP A 72 -2.028 -3.025 -6.212 1.00 0.00 O ATOM 0 H ASP A 72 1.972 -4.863 -4.339 1.00 0.00 H new ATOM 0 HA ASP A 72 0.275 -2.451 -3.945 1.00 0.00 H new ATOM 0 HB2 ASP A 72 0.779 -4.423 -5.913 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -0.752 -4.936 -5.231 1.00 0.00 H new ATOM 1196 N ILE A 73 -1.705 -3.466 -2.693 1.00 0.00 N ATOM 1197 CA ILE A 73 -2.639 -3.963 -1.646 1.00 0.00 C ATOM 1198 C ILE A 73 -4.037 -3.375 -1.872 1.00 0.00 C ATOM 1199 O ILE A 73 -4.280 -2.203 -1.674 1.00 0.00 O ATOM 1200 CB ILE A 73 -2.020 -3.538 -0.296 1.00 0.00 C ATOM 1201 CG1 ILE A 73 -2.205 -4.672 0.714 1.00 0.00 C ATOM 1202 CG2 ILE A 73 -2.680 -2.268 0.255 1.00 0.00 C ATOM 1203 CD1 ILE A 73 -3.681 -4.771 1.106 1.00 0.00 C ATOM 0 H ILE A 73 -2.023 -2.644 -3.206 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.766 -5.045 -1.671 1.00 0.00 H new ATOM 0 HB ILE A 73 -0.963 -3.329 -0.458 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.868 -5.615 0.284 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.594 -4.489 1.598 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.218 -2.001 1.205 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.548 -1.452 -0.455 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.744 -2.448 0.407 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -3.813 -5.579 1.826 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.003 -3.830 1.553 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -4.280 -4.974 0.219 1.00 0.00 H new ATOM 1215 N SER A 74 -4.957 -4.191 -2.295 1.00 0.00 N ATOM 1216 CA SER A 74 -6.338 -3.692 -2.535 1.00 0.00 C ATOM 1217 C SER A 74 -7.250 -4.223 -1.425 1.00 0.00 C ATOM 1218 O SER A 74 -6.949 -5.223 -0.808 1.00 0.00 O ATOM 1219 CB SER A 74 -6.740 -4.274 -3.890 1.00 0.00 C ATOM 1220 OG SER A 74 -7.672 -3.403 -4.517 1.00 0.00 O ATOM 0 H SER A 74 -4.814 -5.183 -2.485 1.00 0.00 H new ATOM 0 HA SER A 74 -6.409 -2.604 -2.535 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.860 -4.399 -4.521 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.180 -5.262 -3.758 1.00 0.00 H new ATOM 0 HG SER A 74 -7.374 -3.207 -5.430 1.00 0.00 H new ATOM 1226 N GLU A 75 -8.351 -3.578 -1.148 1.00 0.00 N ATOM 1227 CA GLU A 75 -9.231 -4.100 -0.057 1.00 0.00 C ATOM 1228 C GLU A 75 -10.689 -3.667 -0.235 1.00 0.00 C ATOM 1229 O GLU A 75 -11.050 -2.538 0.032 1.00 0.00 O ATOM 1230 CB GLU A 75 -8.655 -3.506 1.229 1.00 0.00 C ATOM 1231 CG GLU A 75 -7.339 -4.209 1.569 1.00 0.00 C ATOM 1232 CD GLU A 75 -6.967 -3.921 3.025 1.00 0.00 C ATOM 1233 OE1 GLU A 75 -7.399 -4.669 3.885 1.00 0.00 O ATOM 1234 OE2 GLU A 75 -6.255 -2.956 3.253 1.00 0.00 O ATOM 0 H GLU A 75 -8.676 -2.732 -1.616 1.00 0.00 H new ATOM 0 HA GLU A 75 -9.245 -5.190 -0.052 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -8.487 -2.436 1.105 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -9.365 -3.624 2.047 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -7.438 -5.283 1.414 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -6.547 -3.862 0.905 1.00 0.00 H new ATOM 1241 N ASP A 76 -11.531 -4.569 -0.666 1.00 0.00 N ATOM 1242 CA ASP A 76 -12.974 -4.228 -0.843 1.00 0.00 C ATOM 1243 C ASP A 76 -13.476 -3.338 0.303 1.00 0.00 C ATOM 1244 O ASP A 76 -12.869 -3.261 1.352 1.00 0.00 O ATOM 1245 CB ASP A 76 -13.696 -5.579 -0.808 1.00 0.00 C ATOM 1246 CG ASP A 76 -13.765 -6.089 0.633 1.00 0.00 C ATOM 1247 OD1 ASP A 76 -14.559 -5.558 1.392 1.00 0.00 O ATOM 1248 OD2 ASP A 76 -13.022 -7.002 0.954 1.00 0.00 O ATOM 0 H ASP A 76 -11.281 -5.529 -0.904 1.00 0.00 H new ATOM 0 HA ASP A 76 -13.149 -3.676 -1.767 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -14.701 -5.476 -1.216 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -13.170 -6.300 -1.434 1.00 0.00 H new ATOM 1365 N LYS A 83 -9.239 -8.131 -1.215 1.00 0.00 N ATOM 1366 CA LYS A 83 -7.992 -8.081 -0.400 1.00 0.00 C ATOM 1367 C LYS A 83 -6.880 -8.826 -1.147 1.00 0.00 C ATOM 1368 O LYS A 83 -6.990 -10.006 -1.414 1.00 0.00 O ATOM 1369 CB LYS A 83 -8.339 -8.799 0.905 1.00 0.00 C ATOM 1370 CG LYS A 83 -7.603 -8.130 2.066 1.00 0.00 C ATOM 1371 CD LYS A 83 -7.090 -9.201 3.030 1.00 0.00 C ATOM 1372 CE LYS A 83 -6.117 -10.127 2.297 1.00 0.00 C ATOM 1373 NZ LYS A 83 -6.820 -11.439 2.222 1.00 0.00 N ATOM 0 HA LYS A 83 -7.645 -7.065 -0.214 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -9.415 -8.766 1.075 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -8.058 -9.850 0.840 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -6.770 -7.536 1.689 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -8.272 -7.446 2.588 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -6.592 -8.732 3.879 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -7.926 -9.777 3.428 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -5.883 -9.747 1.303 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -5.173 -10.215 2.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -6.530 -11.939 1.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -6.574 -12.013 3.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -7.848 -11.281 2.202 1.00 0.00 H new ATOM 1387 N LEU A 84 -5.822 -8.152 -1.502 1.00 0.00 N ATOM 1388 CA LEU A 84 -4.728 -8.837 -2.249 1.00 0.00 C ATOM 1389 C LEU A 84 -3.509 -7.921 -2.363 1.00 0.00 C ATOM 1390 O LEU A 84 -3.637 -6.719 -2.473 1.00 0.00 O ATOM 1391 CB LEU A 84 -5.321 -9.108 -3.632 1.00 0.00 C ATOM 1392 CG LEU A 84 -4.839 -10.464 -4.148 1.00 0.00 C ATOM 1393 CD1 LEU A 84 -3.313 -10.532 -4.066 1.00 0.00 C ATOM 1394 CD2 LEU A 84 -5.446 -11.579 -3.294 1.00 0.00 C ATOM 0 H LEU A 84 -5.667 -7.162 -1.309 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.393 -9.749 -1.754 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.410 -9.095 -3.579 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.026 -8.320 -4.325 1.00 0.00 H new ATOM 0 HG LEU A 84 -5.151 -10.588 -5.185 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.972 -11.499 -4.434 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.880 -9.738 -4.675 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.998 -10.407 -3.030 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -5.103 -12.546 -3.661 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -5.135 -11.453 -2.257 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -6.533 -11.533 -3.355 1.00 0.00 H new ATOM 1406 N LEU A 85 -2.331 -8.477 -2.350 1.00 0.00 N ATOM 1407 CA LEU A 85 -1.112 -7.630 -2.469 1.00 0.00 C ATOM 1408 C LEU A 85 -0.108 -8.302 -3.421 1.00 0.00 C ATOM 1409 O LEU A 85 -0.167 -9.492 -3.655 1.00 0.00 O ATOM 1410 CB LEU A 85 -0.587 -7.505 -1.025 1.00 0.00 C ATOM 1411 CG LEU A 85 0.823 -8.087 -0.888 1.00 0.00 C ATOM 1412 CD1 LEU A 85 1.442 -7.608 0.426 1.00 0.00 C ATOM 1413 CD2 LEU A 85 0.738 -9.611 -0.887 1.00 0.00 C ATOM 0 H LEU A 85 -2.159 -9.479 -2.262 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.298 -6.643 -2.893 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.579 -6.456 -0.729 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.263 -8.023 -0.345 1.00 0.00 H new ATOM 0 HG LEU A 85 1.442 -7.756 -1.722 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.446 -8.020 0.527 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.495 -6.519 0.428 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.827 -7.942 1.261 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.739 -10.031 -0.790 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.123 -9.941 -0.049 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.291 -9.951 -1.821 1.00 0.00 H new ATOM 1425 N ARG A 86 0.802 -7.549 -3.986 1.00 0.00 N ATOM 1426 CA ARG A 86 1.783 -8.161 -4.935 1.00 0.00 C ATOM 1427 C ARG A 86 3.168 -7.524 -4.780 1.00 0.00 C ATOM 1428 O ARG A 86 3.298 -6.357 -4.484 1.00 0.00 O ATOM 1429 CB ARG A 86 1.234 -7.874 -6.340 1.00 0.00 C ATOM 1430 CG ARG A 86 -0.297 -7.873 -6.325 1.00 0.00 C ATOM 1431 CD ARG A 86 -0.822 -7.877 -7.762 1.00 0.00 C ATOM 1432 NE ARG A 86 -1.844 -8.960 -7.797 1.00 0.00 N ATOM 1433 CZ ARG A 86 -2.641 -9.071 -8.825 1.00 0.00 C ATOM 1434 NH1 ARG A 86 -3.719 -8.339 -8.898 1.00 0.00 N ATOM 1435 NH2 ARG A 86 -2.361 -9.915 -9.780 1.00 0.00 N ATOM 0 H ARG A 86 0.908 -6.546 -3.834 1.00 0.00 H new ATOM 0 HA ARG A 86 1.899 -9.228 -4.746 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.601 -6.910 -6.691 1.00 0.00 H new ATOM 0 HB3 ARG A 86 1.597 -8.627 -7.040 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -0.666 -8.747 -5.789 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -0.665 -6.995 -5.795 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.259 -6.914 -8.025 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.020 -8.068 -8.475 1.00 0.00 H new ATOM 0 HE ARG A 86 -1.921 -9.614 -7.018 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -3.939 -7.680 -8.152 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -4.341 -8.426 -9.701 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -1.519 -10.488 -9.723 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -2.984 -10.001 -10.583 1.00 0.00 H new ATOM 1449 N PHE A 87 4.202 -8.292 -4.999 1.00 0.00 N ATOM 1450 CA PHE A 87 5.593 -7.755 -4.887 1.00 0.00 C ATOM 1451 C PHE A 87 6.301 -7.898 -6.234 1.00 0.00 C ATOM 1452 O PHE A 87 7.004 -8.861 -6.466 1.00 0.00 O ATOM 1453 CB PHE A 87 6.279 -8.632 -3.832 1.00 0.00 C ATOM 1454 CG PHE A 87 5.332 -8.874 -2.683 1.00 0.00 C ATOM 1455 CD1 PHE A 87 5.230 -7.936 -1.649 1.00 0.00 C ATOM 1456 CD2 PHE A 87 4.543 -10.031 -2.660 1.00 0.00 C ATOM 1457 CE1 PHE A 87 4.338 -8.154 -0.596 1.00 0.00 C ATOM 1458 CE2 PHE A 87 3.654 -10.250 -1.603 1.00 0.00 C ATOM 1459 CZ PHE A 87 3.552 -9.308 -0.572 1.00 0.00 C ATOM 0 H PHE A 87 4.143 -9.278 -5.253 1.00 0.00 H new ATOM 0 HA PHE A 87 5.613 -6.701 -4.611 1.00 0.00 H new ATOM 0 HB2 PHE A 87 6.581 -9.582 -4.274 1.00 0.00 H new ATOM 0 HB3 PHE A 87 7.186 -8.145 -3.473 1.00 0.00 H new ATOM 0 HD1 PHE A 87 5.840 -7.045 -1.665 1.00 0.00 H new ATOM 0 HD2 PHE A 87 4.621 -10.754 -3.459 1.00 0.00 H new ATOM 0 HE1 PHE A 87 4.256 -7.429 0.200 1.00 0.00 H new ATOM 0 HE2 PHE A 87 3.048 -11.143 -1.582 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.864 -9.474 0.244 1.00 0.00 H new ATOM 1469 N ASN A 88 6.141 -6.954 -7.128 1.00 0.00 N ATOM 1470 CA ASN A 88 6.841 -7.085 -8.440 1.00 0.00 C ATOM 1471 C ASN A 88 6.770 -5.799 -9.243 1.00 0.00 C ATOM 1472 O ASN A 88 6.436 -4.750 -8.737 1.00 0.00 O ATOM 1473 CB ASN A 88 6.168 -8.217 -9.212 1.00 0.00 C ATOM 1474 CG ASN A 88 4.724 -8.419 -8.740 1.00 0.00 C ATOM 1475 OD1 ASN A 88 4.484 -9.067 -7.740 1.00 0.00 O ATOM 1476 ND2 ASN A 88 3.746 -7.889 -9.423 1.00 0.00 N ATOM 0 H ASN A 88 5.570 -6.117 -7.010 1.00 0.00 H new ATOM 0 HA ASN A 88 7.896 -7.298 -8.268 1.00 0.00 H new ATOM 0 HB2 ASN A 88 6.178 -7.991 -10.278 1.00 0.00 H new ATOM 0 HB3 ASN A 88 6.732 -9.140 -9.076 1.00 0.00 H new ATOM 0 HD21 ASN A 88 2.782 -8.019 -9.117 1.00 0.00 H new ATOM 0 HD22 ASN A 88 3.946 -7.345 -10.262 1.00 0.00 H new ATOM 1483 N GLY A 89 7.127 -5.878 -10.492 1.00 0.00 N ATOM 1484 CA GLY A 89 7.157 -4.662 -11.335 1.00 0.00 C ATOM 1485 C GLY A 89 8.528 -4.051 -11.094 1.00 0.00 C ATOM 1486 O GLY A 89 8.650 -2.928 -10.646 1.00 0.00 O ATOM 0 H GLY A 89 7.400 -6.740 -10.965 1.00 0.00 H new ATOM 0 HA2 GLY A 89 7.014 -4.907 -12.387 1.00 0.00 H new ATOM 0 HA3 GLY A 89 6.362 -3.970 -11.058 1.00 0.00 H new ATOM 1490 N PRO A 90 9.525 -4.861 -11.347 1.00 0.00 N ATOM 1491 CA PRO A 90 10.927 -4.460 -11.098 1.00 0.00 C ATOM 1492 C PRO A 90 11.329 -3.252 -11.947 1.00 0.00 C ATOM 1493 O PRO A 90 10.814 -3.033 -13.025 1.00 0.00 O ATOM 1494 CB PRO A 90 11.731 -5.705 -11.476 1.00 0.00 C ATOM 1495 CG PRO A 90 10.842 -6.447 -12.414 1.00 0.00 C ATOM 1496 CD PRO A 90 9.446 -6.216 -11.907 1.00 0.00 C ATOM 0 HA PRO A 90 11.096 -4.146 -10.068 1.00 0.00 H new ATOM 0 HB2 PRO A 90 12.676 -5.439 -11.950 1.00 0.00 H new ATOM 0 HB3 PRO A 90 11.972 -6.305 -10.598 1.00 0.00 H new ATOM 0 HG2 PRO A 90 10.955 -6.081 -13.435 1.00 0.00 H new ATOM 0 HG3 PRO A 90 11.084 -7.510 -12.427 1.00 0.00 H new ATOM 0 HD2 PRO A 90 8.709 -6.281 -12.707 1.00 0.00 H new ATOM 0 HD3 PRO A 90 9.163 -6.950 -11.153 1.00 0.00 H new ATOM 1504 N VAL A 91 12.249 -2.466 -11.459 1.00 0.00 N ATOM 1505 CA VAL A 91 12.699 -1.270 -12.212 1.00 0.00 C ATOM 1506 C VAL A 91 13.495 -1.689 -13.452 1.00 0.00 C ATOM 1507 O VAL A 91 13.843 -2.855 -13.541 1.00 0.00 O ATOM 1508 CB VAL A 91 13.593 -0.528 -11.223 1.00 0.00 C ATOM 1509 CG1 VAL A 91 12.746 -0.005 -10.061 1.00 0.00 C ATOM 1510 CG2 VAL A 91 14.659 -1.484 -10.684 1.00 0.00 C ATOM 0 H VAL A 91 12.711 -2.606 -10.560 1.00 0.00 H new ATOM 0 HA VAL A 91 11.871 -0.658 -12.569 1.00 0.00 H new ATOM 0 HB VAL A 91 14.075 0.309 -11.728 1.00 0.00 H new ATOM 0 HG11 VAL A 91 13.385 0.525 -9.355 1.00 0.00 H new ATOM 0 HG12 VAL A 91 11.985 0.675 -10.443 1.00 0.00 H new ATOM 0 HG13 VAL A 91 12.264 -0.842 -9.556 1.00 0.00 H new ATOM 0 HG21 VAL A 91 15.298 -0.955 -9.977 1.00 0.00 H new ATOM 0 HG22 VAL A 91 14.176 -2.321 -10.180 1.00 0.00 H new ATOM 0 HG23 VAL A 91 15.263 -1.858 -11.510 1.00 0.00 H new