USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 712 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 85 HIS : no HD1:sc= -0.498 K(o=-0.65,f=-1.5) USER MOD Set 1.2: A 86 CYS SG : rot 180:sc= -0.156 USER MOD Set 2.1: A 66 HIS : no HD1:sc= -2.22 K(o=-3.4,f=-4.6) USER MOD Set 2.2: A 68 HIS : no HE2:sc= -1.22 K(o=-3.4,f=-8.6!) USER MOD Set 3.1: A 19 GLN :FLIP amide:sc= 0.0406 X(o=0.11!,f=0.5) USER MOD Set 3.2: A 46 GLN : amide:sc= 0.455 X(o=0.5,f=0.11) USER MOD Single : A 6 THR OG1 : rot -32:sc= 0.29 USER MOD Single : A 8 HIS : no HD1:sc= -0.455 X(o=-0.45,f=-0.71) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ -128:sc= 0 (180deg=-0.00938) USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 22 CYS SG : rot 180:sc= 0.00911 USER MOD Single : A 23 ASN : amide:sc=-0.00355 X(o=-0.0035,f=-0.0035) USER MOD Single : A 30 THR OG1 : rot 152:sc= 1.21 USER MOD Single : A 31 ASN : amide:sc= 0.278 K(o=0.28,f=-4.8!) USER MOD Single : A 35 GLN : amide:sc= -0.0156 K(o=-0.016,f=-0.93) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot -160:sc= -0.0149 USER MOD Single : A 55 ASN : amide:sc= -0.0523 X(o=-0.052,f=0) USER MOD Single : A 57 HIS : no HD1:sc= -0.0369 X(o=-0.037,f=0) USER MOD Single : A 58 CYS SG : rot 180:sc= -0.83 USER MOD Single : A 79 ASN : amide:sc= -0.318 K(o=-0.32,f=-4.3!) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HE2:sc= -4.58! C(o=-4.6!,f=-4.4!) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 100 HIS : no HE2:sc= 0.163 K(o=0.16,f=-3.8!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 MET CE :methyl -162:sc=-0.00465 (180deg=-0.168) USER MOD Single : A 110 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 59 N THR A 6 -13.399 -5.564 3.786 1.00 0.00 N ATOM 60 CA THR A 6 -12.174 -4.929 4.256 1.00 0.00 C ATOM 61 C THR A 6 -11.006 -5.925 4.246 1.00 0.00 C ATOM 62 O THR A 6 -11.249 -7.127 4.386 1.00 0.00 O ATOM 63 CB THR A 6 -12.463 -4.384 5.668 1.00 0.00 C ATOM 64 OG1 THR A 6 -13.084 -5.355 6.494 1.00 0.00 O ATOM 65 CG2 THR A 6 -13.433 -3.199 5.639 1.00 0.00 C ATOM 0 HA THR A 6 -11.875 -4.112 3.599 1.00 0.00 H new ATOM 0 HB THR A 6 -11.488 -4.092 6.057 1.00 0.00 H new ATOM 0 HG1 THR A 6 -13.644 -5.942 5.944 1.00 0.00 H new ATOM 0 HG21 THR A 6 -13.608 -2.847 6.656 1.00 0.00 H new ATOM 0 HG22 THR A 6 -13.004 -2.392 5.045 1.00 0.00 H new ATOM 0 HG23 THR A 6 -14.378 -3.513 5.196 1.00 0.00 H new ATOM 73 N PRO A 7 -9.742 -5.480 4.111 1.00 0.00 N ATOM 74 CA PRO A 7 -8.622 -6.406 4.093 1.00 0.00 C ATOM 75 C PRO A 7 -8.433 -7.096 5.454 1.00 0.00 C ATOM 76 O PRO A 7 -8.436 -8.334 5.499 1.00 0.00 O ATOM 77 CB PRO A 7 -7.418 -5.565 3.659 1.00 0.00 C ATOM 78 CG PRO A 7 -7.794 -4.132 4.025 1.00 0.00 C ATOM 79 CD PRO A 7 -9.302 -4.128 3.799 1.00 0.00 C ATOM 0 HA PRO A 7 -8.778 -7.235 3.403 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -6.510 -5.879 4.173 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -7.230 -5.664 2.590 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -7.536 -3.894 5.057 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -7.286 -3.404 3.393 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -9.794 -3.397 4.441 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -9.545 -3.863 2.770 1.00 0.00 H new ATOM 87 N HIS A 8 -8.279 -6.351 6.554 1.00 0.00 N ATOM 88 CA HIS A 8 -7.958 -6.919 7.866 1.00 0.00 C ATOM 89 C HIS A 8 -8.310 -5.922 8.978 1.00 0.00 C ATOM 90 O HIS A 8 -8.034 -4.734 8.807 1.00 0.00 O ATOM 91 CB HIS A 8 -6.440 -7.167 7.884 1.00 0.00 C ATOM 92 CG HIS A 8 -5.952 -8.148 8.915 1.00 0.00 C ATOM 93 ND1 HIS A 8 -4.974 -7.922 9.856 1.00 0.00 N ATOM 94 CD2 HIS A 8 -6.300 -9.469 8.987 1.00 0.00 C ATOM 95 CE1 HIS A 8 -4.776 -9.075 10.517 1.00 0.00 C ATOM 96 NE2 HIS A 8 -5.559 -10.044 10.020 1.00 0.00 N ATOM 0 H HIS A 8 -8.374 -5.335 6.559 1.00 0.00 H new ATOM 0 HA HIS A 8 -8.522 -7.837 8.033 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -6.137 -7.522 6.899 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -5.937 -6.214 8.049 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -7.018 -9.975 8.358 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -4.083 -9.204 11.335 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -5.604 -11.013 10.336 1.00 0.00 H new ATOM 104 N PRO A 9 -8.799 -6.343 10.157 1.00 0.00 N ATOM 105 CA PRO A 9 -9.213 -5.397 11.193 1.00 0.00 C ATOM 106 C PRO A 9 -8.040 -4.718 11.906 1.00 0.00 C ATOM 107 O PRO A 9 -8.228 -3.636 12.471 1.00 0.00 O ATOM 108 CB PRO A 9 -10.057 -6.203 12.178 1.00 0.00 C ATOM 109 CG PRO A 9 -9.566 -7.633 11.998 1.00 0.00 C ATOM 110 CD PRO A 9 -9.142 -7.704 10.534 1.00 0.00 C ATOM 0 HA PRO A 9 -9.770 -4.576 10.741 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.914 -5.858 13.202 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -11.121 -6.115 11.957 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -8.733 -7.854 12.665 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -10.352 -8.355 12.220 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -8.291 -8.372 10.405 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -9.948 -8.091 9.911 1.00 0.00 H new ATOM 118 N GLN A 10 -6.848 -5.329 11.909 1.00 0.00 N ATOM 119 CA GLN A 10 -5.669 -4.651 12.426 1.00 0.00 C ATOM 120 C GLN A 10 -5.191 -3.547 11.492 1.00 0.00 C ATOM 121 O GLN A 10 -4.582 -2.619 12.000 1.00 0.00 O ATOM 122 CB GLN A 10 -4.505 -5.609 12.709 1.00 0.00 C ATOM 123 CG GLN A 10 -4.631 -6.292 14.075 1.00 0.00 C ATOM 124 CD GLN A 10 -3.256 -6.704 14.586 1.00 0.00 C ATOM 125 OE1 GLN A 10 -2.809 -7.827 14.383 1.00 0.00 O ATOM 126 NE2 GLN A 10 -2.529 -5.789 15.214 1.00 0.00 N ATOM 0 H GLN A 10 -6.683 -6.275 11.564 1.00 0.00 H new ATOM 0 HA GLN A 10 -5.985 -4.210 13.371 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -4.465 -6.368 11.928 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -3.566 -5.058 12.666 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -5.103 -5.614 14.786 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -5.274 -7.168 13.994 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -2.912 -4.858 15.377 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -1.588 -6.017 15.533 1.00 0.00 H new ATOM 135 N LEU A 11 -5.413 -3.639 10.173 1.00 0.00 N ATOM 136 CA LEU A 11 -4.848 -2.673 9.233 1.00 0.00 C ATOM 137 C LEU A 11 -5.265 -1.242 9.600 1.00 0.00 C ATOM 138 O LEU A 11 -6.461 -0.948 9.692 1.00 0.00 O ATOM 139 CB LEU A 11 -5.239 -3.077 7.804 1.00 0.00 C ATOM 140 CG LEU A 11 -4.726 -2.097 6.732 1.00 0.00 C ATOM 141 CD1 LEU A 11 -4.243 -2.857 5.493 1.00 0.00 C ATOM 142 CD2 LEU A 11 -5.819 -1.119 6.313 1.00 0.00 C ATOM 0 H LEU A 11 -5.977 -4.370 9.739 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.760 -2.683 9.291 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -4.846 -4.072 7.595 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -6.325 -3.143 7.737 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.896 -1.542 7.170 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.885 -2.147 4.747 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -3.432 -3.530 5.772 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.068 -3.435 5.076 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.428 -0.439 5.556 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.664 -1.672 5.903 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.146 -0.546 7.180 1.00 0.00 H new ATOM 154 N ILE A 12 -4.281 -0.360 9.804 1.00 0.00 N ATOM 155 CA ILE A 12 -4.483 1.028 10.206 1.00 0.00 C ATOM 156 C ILE A 12 -4.204 1.890 8.984 1.00 0.00 C ATOM 157 O ILE A 12 -3.051 2.215 8.699 1.00 0.00 O ATOM 158 CB ILE A 12 -3.593 1.406 11.417 1.00 0.00 C ATOM 159 CG1 ILE A 12 -3.852 0.539 12.668 1.00 0.00 C ATOM 160 CG2 ILE A 12 -3.740 2.891 11.806 1.00 0.00 C ATOM 161 CD1 ILE A 12 -5.326 0.406 13.067 1.00 0.00 C ATOM 0 H ILE A 12 -3.297 -0.603 9.690 1.00 0.00 H new ATOM 0 HA ILE A 12 -5.506 1.189 10.546 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.576 1.215 11.076 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.447 -0.458 12.492 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.300 0.963 13.507 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.098 3.109 12.659 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.449 3.518 10.963 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -4.777 3.097 12.071 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -5.407 -0.220 13.955 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -5.736 1.393 13.280 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -5.885 -0.050 12.249 1.00 0.00 H new ATOM 173 N TRP A 13 -5.277 2.267 8.282 1.00 0.00 N ATOM 174 CA TRP A 13 -5.199 3.182 7.153 1.00 0.00 C ATOM 175 C TRP A 13 -4.429 4.454 7.527 1.00 0.00 C ATOM 176 O TRP A 13 -4.614 4.977 8.632 1.00 0.00 O ATOM 177 CB TRP A 13 -6.595 3.548 6.647 1.00 0.00 C ATOM 178 CG TRP A 13 -7.446 2.393 6.243 1.00 0.00 C ATOM 179 CD1 TRP A 13 -8.419 1.805 6.977 1.00 0.00 C ATOM 180 CD2 TRP A 13 -7.343 1.619 5.014 1.00 0.00 C ATOM 181 NE1 TRP A 13 -8.963 0.763 6.254 1.00 0.00 N ATOM 182 CE2 TRP A 13 -8.263 0.538 5.092 1.00 0.00 C ATOM 183 CE3 TRP A 13 -6.536 1.701 3.859 1.00 0.00 C ATOM 184 CZ2 TRP A 13 -8.320 -0.467 4.121 1.00 0.00 C ATOM 185 CZ3 TRP A 13 -6.578 0.690 2.882 1.00 0.00 C ATOM 186 CH2 TRP A 13 -7.425 -0.420 3.043 1.00 0.00 C ATOM 0 H TRP A 13 -6.222 1.943 8.485 1.00 0.00 H new ATOM 0 HA TRP A 13 -4.661 2.672 6.354 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -7.113 4.105 7.428 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -6.491 4.218 5.794 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -8.721 2.103 7.970 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -9.781 0.227 6.545 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -5.880 2.548 3.724 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -9.042 -1.266 4.200 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -5.956 0.767 2.003 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -7.386 -1.236 2.337 1.00 0.00 H new ATOM 197 N PRO A 14 -3.650 5.017 6.594 1.00 0.00 N ATOM 198 CA PRO A 14 -3.610 4.629 5.189 1.00 0.00 C ATOM 199 C PRO A 14 -2.850 3.325 4.920 1.00 0.00 C ATOM 200 O PRO A 14 -2.171 2.799 5.807 1.00 0.00 O ATOM 201 CB PRO A 14 -2.882 5.769 4.504 1.00 0.00 C ATOM 202 CG PRO A 14 -1.925 6.269 5.582 1.00 0.00 C ATOM 203 CD PRO A 14 -2.791 6.161 6.828 1.00 0.00 C ATOM 0 HA PRO A 14 -4.623 4.450 4.830 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -2.347 5.430 3.617 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -3.570 6.551 4.182 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -1.028 5.654 5.651 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -1.597 7.292 5.397 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -2.181 6.020 7.721 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -3.376 7.068 6.981 1.00 0.00 H new ATOM 211 N ALA A 15 -2.960 2.811 3.692 1.00 0.00 N ATOM 212 CA ALA A 15 -2.217 1.635 3.272 1.00 0.00 C ATOM 213 C ALA A 15 -1.664 1.798 1.858 1.00 0.00 C ATOM 214 O ALA A 15 -1.987 2.756 1.150 1.00 0.00 O ATOM 215 CB ALA A 15 -3.101 0.392 3.406 1.00 0.00 C ATOM 0 H ALA A 15 -3.565 3.201 2.969 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.353 1.511 3.925 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.541 -0.488 3.090 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.407 0.274 4.445 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.985 0.505 2.778 1.00 0.00 H new ATOM 221 N LEU A 16 -0.820 0.840 1.468 1.00 0.00 N ATOM 222 CA LEU A 16 -0.050 0.830 0.233 1.00 0.00 C ATOM 223 C LEU A 16 -0.108 -0.578 -0.349 1.00 0.00 C ATOM 224 O LEU A 16 0.466 -1.508 0.227 1.00 0.00 O ATOM 225 CB LEU A 16 1.404 1.265 0.521 1.00 0.00 C ATOM 226 CG LEU A 16 1.581 2.798 0.568 1.00 0.00 C ATOM 227 CD1 LEU A 16 2.933 3.185 1.184 1.00 0.00 C ATOM 228 CD2 LEU A 16 1.515 3.409 -0.840 1.00 0.00 C ATOM 0 H LEU A 16 -0.650 0.011 2.037 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.464 1.533 -0.490 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.722 0.839 1.473 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.059 0.853 -0.247 1.00 0.00 H new ATOM 0 HG LEU A 16 0.767 3.184 1.182 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.027 4.271 1.203 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.994 2.798 2.201 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.740 2.761 0.586 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.643 4.489 -0.774 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.308 2.987 -1.457 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.547 3.185 -1.289 1.00 0.00 H new ATOM 240 N LEU A 17 -0.831 -0.755 -1.460 1.00 0.00 N ATOM 241 CA LEU A 17 -0.921 -2.021 -2.204 1.00 0.00 C ATOM 242 C LEU A 17 0.119 -2.004 -3.329 1.00 0.00 C ATOM 243 O LEU A 17 0.226 -0.976 -4.011 1.00 0.00 O ATOM 244 CB LEU A 17 -2.344 -2.172 -2.784 1.00 0.00 C ATOM 245 CG LEU A 17 -2.595 -3.454 -3.613 1.00 0.00 C ATOM 246 CD1 LEU A 17 -2.882 -4.646 -2.697 1.00 0.00 C ATOM 247 CD2 LEU A 17 -3.770 -3.243 -4.574 1.00 0.00 C ATOM 0 H LEU A 17 -1.383 -0.006 -1.878 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.723 -2.866 -1.544 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.057 -2.148 -1.960 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.554 -1.307 -3.413 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.695 -3.667 -4.190 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.055 -5.536 -3.302 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.028 -4.814 -2.040 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.767 -4.438 -2.096 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.936 -4.153 -5.151 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.668 -3.006 -4.004 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.543 -2.420 -5.251 1.00 0.00 H new ATOM 259 N LYS A 18 0.843 -3.105 -3.581 1.00 0.00 N ATOM 260 CA LYS A 18 1.847 -3.164 -4.653 1.00 0.00 C ATOM 261 C LYS A 18 1.654 -4.412 -5.515 1.00 0.00 C ATOM 262 O LYS A 18 2.318 -5.427 -5.292 1.00 0.00 O ATOM 263 CB LYS A 18 3.273 -2.988 -4.088 1.00 0.00 C ATOM 264 CG LYS A 18 4.127 -2.077 -4.978 1.00 0.00 C ATOM 265 CD LYS A 18 4.545 -2.711 -6.299 1.00 0.00 C ATOM 266 CE LYS A 18 5.523 -3.871 -6.147 1.00 0.00 C ATOM 267 NZ LYS A 18 6.869 -3.456 -5.694 1.00 0.00 N ATOM 0 H LYS A 18 0.750 -3.972 -3.052 1.00 0.00 H new ATOM 0 HA LYS A 18 1.701 -2.322 -5.329 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.217 -2.567 -3.084 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.752 -3.963 -3.999 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.569 -1.164 -5.186 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.022 -1.785 -4.428 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.655 -3.065 -6.818 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.999 -1.947 -6.930 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.115 -4.589 -5.435 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.614 -4.386 -7.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.587 -3.845 -6.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.930 -2.418 -5.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 7.037 -3.814 -4.732 1.00 0.00 H new ATOM 281 N GLN A 19 0.760 -4.294 -6.502 1.00 0.00 N ATOM 282 CA GLN A 19 0.311 -5.341 -7.405 1.00 0.00 C ATOM 283 C GLN A 19 1.508 -6.121 -7.935 1.00 0.00 C ATOM 284 O GLN A 19 2.491 -5.519 -8.378 1.00 0.00 O ATOM 285 CB GLN A 19 -0.509 -4.731 -8.562 1.00 0.00 C ATOM 286 CG GLN A 19 -2.033 -4.907 -8.442 1.00 0.00 C ATOM 287 CD GLN A 19 -2.555 -5.983 -9.399 1.00 0.00 C ATOM 288 OE1 GLN A 19 -2.876 -7.166 -8.913 1.00 0.00 O flip ATOM 289 NE2 GLN A 19 -2.653 -5.780 -10.607 1.00 0.00 N flip ATOM 0 H GLN A 19 0.305 -3.403 -6.698 1.00 0.00 H new ATOM 0 HA GLN A 19 -0.333 -6.031 -6.860 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -0.285 -3.666 -8.624 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -0.179 -5.181 -9.498 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -2.289 -5.176 -7.417 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -2.527 -3.959 -8.656 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -2.407 -4.868 -10.993 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -2.980 -6.523 -11.224 1.00 0.00 H new ATOM 298 N GLN A 20 1.429 -7.452 -7.899 1.00 0.00 N ATOM 299 CA GLN A 20 2.489 -8.288 -8.424 1.00 0.00 C ATOM 300 C GLN A 20 2.684 -8.015 -9.918 1.00 0.00 C ATOM 301 O GLN A 20 1.745 -8.012 -10.723 1.00 0.00 O ATOM 302 CB GLN A 20 2.268 -9.776 -8.103 1.00 0.00 C ATOM 303 CG GLN A 20 3.171 -10.187 -6.932 1.00 0.00 C ATOM 304 CD GLN A 20 3.150 -11.686 -6.675 1.00 0.00 C ATOM 305 OE1 GLN A 20 2.346 -12.421 -7.228 1.00 0.00 O ATOM 306 NE2 GLN A 20 4.068 -12.186 -5.867 1.00 0.00 N ATOM 0 H GLN A 20 0.639 -7.966 -7.510 1.00 0.00 H new ATOM 0 HA GLN A 20 3.419 -8.024 -7.921 1.00 0.00 H new ATOM 0 HB2 GLN A 20 1.223 -9.953 -7.849 1.00 0.00 H new ATOM 0 HB3 GLN A 20 2.491 -10.385 -8.979 1.00 0.00 H new ATOM 0 HG2 GLN A 20 4.194 -9.872 -7.139 1.00 0.00 H new ATOM 0 HG3 GLN A 20 2.852 -9.663 -6.031 1.00 0.00 H new ATOM 0 HE21 GLN A 20 4.736 -11.566 -5.409 1.00 0.00 H new ATOM 0 HE22 GLN A 20 4.109 -13.192 -5.702 1.00 0.00 H new ATOM 315 N GLY A 21 3.936 -7.740 -10.260 1.00 0.00 N ATOM 316 CA GLY A 21 4.397 -7.331 -11.572 1.00 0.00 C ATOM 317 C GLY A 21 4.573 -5.822 -11.617 1.00 0.00 C ATOM 318 O GLY A 21 5.646 -5.347 -11.998 1.00 0.00 O ATOM 0 H GLY A 21 4.699 -7.801 -9.586 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.342 -7.822 -11.803 1.00 0.00 H new ATOM 0 HA3 GLY A 21 3.681 -7.644 -12.332 1.00 0.00 H new ATOM 322 N CYS A 22 3.559 -5.077 -11.173 1.00 0.00 N ATOM 323 CA CYS A 22 3.563 -3.630 -11.181 1.00 0.00 C ATOM 324 C CYS A 22 4.583 -3.079 -10.194 1.00 0.00 C ATOM 325 O CYS A 22 5.130 -3.779 -9.335 1.00 0.00 O ATOM 326 CB CYS A 22 2.166 -3.111 -10.811 1.00 0.00 C ATOM 327 SG CYS A 22 0.907 -3.835 -11.896 1.00 0.00 S ATOM 0 H CYS A 22 2.702 -5.478 -10.793 1.00 0.00 H new ATOM 0 HA CYS A 22 3.834 -3.294 -12.182 1.00 0.00 H new ATOM 0 HB2 CYS A 22 1.944 -3.357 -9.773 1.00 0.00 H new ATOM 0 HB3 CYS A 22 2.143 -2.024 -10.893 1.00 0.00 H new ATOM 0 HG CYS A 22 -0.265 -3.383 -11.562 1.00 0.00 H new ATOM 333 N ASN A 23 4.800 -1.777 -10.308 1.00 0.00 N ATOM 334 CA ASN A 23 5.749 -1.011 -9.519 1.00 0.00 C ATOM 335 C ASN A 23 5.040 0.210 -8.940 1.00 0.00 C ATOM 336 O ASN A 23 5.420 0.703 -7.881 1.00 0.00 O ATOM 337 CB ASN A 23 6.927 -0.575 -10.411 1.00 0.00 C ATOM 338 CG ASN A 23 7.473 -1.730 -11.232 1.00 0.00 C ATOM 339 OD1 ASN A 23 8.113 -2.634 -10.703 1.00 0.00 O ATOM 340 ND2 ASN A 23 7.115 -1.801 -12.502 1.00 0.00 N ATOM 0 H ASN A 23 4.296 -1.202 -10.983 1.00 0.00 H new ATOM 0 HA ASN A 23 6.137 -1.621 -8.703 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.601 0.223 -11.078 1.00 0.00 H new ATOM 0 HB3 ASN A 23 7.722 -0.165 -9.788 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.370 -2.616 -13.059 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.583 -1.040 -12.925 1.00 0.00 H new ATOM 347 N GLU A 24 4.039 0.722 -9.659 1.00 0.00 N ATOM 348 CA GLU A 24 3.329 1.959 -9.393 1.00 0.00 C ATOM 349 C GLU A 24 2.422 1.749 -8.180 1.00 0.00 C ATOM 350 O GLU A 24 1.377 1.105 -8.297 1.00 0.00 O ATOM 351 CB GLU A 24 2.579 2.344 -10.682 1.00 0.00 C ATOM 352 CG GLU A 24 2.312 3.850 -10.818 1.00 0.00 C ATOM 353 CD GLU A 24 2.011 4.221 -12.285 1.00 0.00 C ATOM 354 OE1 GLU A 24 2.848 3.933 -13.172 1.00 0.00 O ATOM 355 OE2 GLU A 24 0.945 4.814 -12.550 1.00 0.00 O ATOM 0 H GLU A 24 3.687 0.250 -10.492 1.00 0.00 H new ATOM 0 HA GLU A 24 3.990 2.787 -9.139 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.158 2.008 -11.542 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.628 1.812 -10.711 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.470 4.134 -10.186 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.178 4.411 -10.466 1.00 0.00 H new ATOM 362 N LEU A 25 2.869 2.179 -6.994 1.00 0.00 N ATOM 363 CA LEU A 25 2.181 1.925 -5.728 1.00 0.00 C ATOM 364 C LEU A 25 0.727 2.385 -5.796 1.00 0.00 C ATOM 365 O LEU A 25 0.413 3.360 -6.476 1.00 0.00 O ATOM 366 CB LEU A 25 2.882 2.657 -4.556 1.00 0.00 C ATOM 367 CG LEU A 25 3.757 1.786 -3.641 1.00 0.00 C ATOM 368 CD1 LEU A 25 2.950 0.684 -2.943 1.00 0.00 C ATOM 369 CD2 LEU A 25 4.972 1.219 -4.374 1.00 0.00 C ATOM 0 H LEU A 25 3.728 2.719 -6.888 1.00 0.00 H new ATOM 0 HA LEU A 25 2.215 0.850 -5.554 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.503 3.451 -4.970 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.117 3.136 -3.945 1.00 0.00 H new ATOM 0 HG LEU A 25 4.136 2.445 -2.859 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.612 0.095 -2.308 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.169 1.136 -2.332 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.495 0.036 -3.692 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.560 0.611 -3.687 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.638 0.603 -5.209 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.585 2.038 -4.749 1.00 0.00 H new ATOM 381 N LEU A 26 -0.128 1.735 -5.002 1.00 0.00 N ATOM 382 CA LEU A 26 -1.520 2.112 -4.789 1.00 0.00 C ATOM 383 C LEU A 26 -1.637 2.745 -3.398 1.00 0.00 C ATOM 384 O LEU A 26 -1.815 1.998 -2.431 1.00 0.00 O ATOM 385 CB LEU A 26 -2.484 0.918 -4.989 1.00 0.00 C ATOM 386 CG LEU A 26 -3.523 1.098 -6.101 1.00 0.00 C ATOM 387 CD1 LEU A 26 -4.377 2.343 -5.891 1.00 0.00 C ATOM 388 CD2 LEU A 26 -2.886 1.128 -7.489 1.00 0.00 C ATOM 0 H LEU A 26 0.143 0.905 -4.474 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.823 2.843 -5.538 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.894 0.028 -5.206 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.007 0.733 -4.051 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.173 0.225 -6.046 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.099 2.430 -6.703 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.906 2.265 -4.941 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.737 3.225 -5.878 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.662 1.257 -8.243 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.181 1.957 -7.548 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.359 0.191 -7.668 1.00 0.00 H new ATOM 400 N PRO A 27 -1.406 4.062 -3.243 1.00 0.00 N ATOM 401 CA PRO A 27 -1.730 4.759 -2.004 1.00 0.00 C ATOM 402 C PRO A 27 -3.245 4.783 -1.825 1.00 0.00 C ATOM 403 O PRO A 27 -3.991 4.875 -2.809 1.00 0.00 O ATOM 404 CB PRO A 27 -1.153 6.164 -2.184 1.00 0.00 C ATOM 405 CG PRO A 27 -1.288 6.403 -3.685 1.00 0.00 C ATOM 406 CD PRO A 27 -1.058 5.022 -4.286 1.00 0.00 C ATOM 0 HA PRO A 27 -1.318 4.282 -1.115 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -1.707 6.904 -1.606 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -0.114 6.218 -1.859 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -2.272 6.794 -3.942 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -0.554 7.125 -4.044 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -1.675 4.875 -5.172 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -0.020 4.900 -4.597 1.00 0.00 H new ATOM 414 N LEU A 28 -3.696 4.642 -0.577 1.00 0.00 N ATOM 415 CA LEU A 28 -5.107 4.629 -0.219 1.00 0.00 C ATOM 416 C LEU A 28 -5.215 5.292 1.149 1.00 0.00 C ATOM 417 O LEU A 28 -4.775 4.723 2.155 1.00 0.00 O ATOM 418 CB LEU A 28 -5.648 3.190 -0.162 1.00 0.00 C ATOM 419 CG LEU A 28 -5.369 2.291 -1.393 1.00 0.00 C ATOM 420 CD1 LEU A 28 -5.193 0.846 -0.940 1.00 0.00 C ATOM 421 CD2 LEU A 28 -6.494 2.393 -2.418 1.00 0.00 C ATOM 0 H LEU A 28 -3.075 4.532 0.225 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.699 5.161 -0.964 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.226 2.703 0.717 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.727 3.238 -0.013 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.452 2.635 -1.872 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.997 0.214 -1.806 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.354 0.782 -0.247 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.102 0.507 -0.443 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.269 1.751 -3.270 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.432 2.076 -1.962 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.586 3.425 -2.756 1.00 0.00 H new ATOM 433 N ARG A 29 -5.782 6.498 1.191 1.00 0.00 N ATOM 434 CA ARG A 29 -5.904 7.294 2.412 1.00 0.00 C ATOM 435 C ARG A 29 -6.721 6.545 3.461 1.00 0.00 C ATOM 436 O ARG A 29 -6.341 6.508 4.632 1.00 0.00 O ATOM 437 CB ARG A 29 -6.599 8.642 2.151 1.00 0.00 C ATOM 438 CG ARG A 29 -5.863 9.687 1.293 1.00 0.00 C ATOM 439 CD ARG A 29 -5.547 10.962 2.087 1.00 0.00 C ATOM 440 NE ARG A 29 -5.332 12.131 1.223 1.00 0.00 N ATOM 441 CZ ARG A 29 -6.208 13.108 0.946 1.00 0.00 C ATOM 442 NH1 ARG A 29 -7.506 12.981 1.217 1.00 0.00 N ATOM 443 NH2 ARG A 29 -5.781 14.242 0.417 1.00 0.00 N ATOM 0 H ARG A 29 -6.174 6.955 0.368 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.889 7.473 2.768 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.557 8.435 1.674 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.815 9.098 3.117 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.936 9.257 0.914 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.474 9.941 0.427 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.367 11.170 2.774 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -4.657 10.796 2.694 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.414 12.208 0.785 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -7.856 12.124 1.646 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -8.150 13.740 0.996 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.788 14.371 0.221 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -6.444 14.987 0.205 1.00 0.00 H new ATOM 457 N THR A 30 -7.871 5.998 3.070 1.00 0.00 N ATOM 458 CA THR A 30 -8.839 5.395 3.976 1.00 0.00 C ATOM 459 C THR A 30 -9.404 4.127 3.340 1.00 0.00 C ATOM 460 O THR A 30 -9.164 3.838 2.164 1.00 0.00 O ATOM 461 CB THR A 30 -9.953 6.407 4.329 1.00 0.00 C ATOM 462 OG1 THR A 30 -10.566 6.915 3.162 1.00 0.00 O ATOM 463 CG2 THR A 30 -9.436 7.581 5.157 1.00 0.00 C ATOM 0 H THR A 30 -8.159 5.963 2.092 1.00 0.00 H new ATOM 0 HA THR A 30 -8.348 5.120 4.910 1.00 0.00 H new ATOM 0 HB THR A 30 -10.680 5.856 4.925 1.00 0.00 H new ATOM 0 HG1 THR A 30 -11.490 7.171 3.363 1.00 0.00 H new ATOM 0 HG21 THR A 30 -10.259 8.261 5.377 1.00 0.00 H new ATOM 0 HG22 THR A 30 -9.013 7.210 6.090 1.00 0.00 H new ATOM 0 HG23 THR A 30 -8.667 8.112 4.596 1.00 0.00 H new ATOM 471 N ASN A 31 -10.226 3.396 4.095 1.00 0.00 N ATOM 472 CA ASN A 31 -10.951 2.237 3.586 1.00 0.00 C ATOM 473 C ASN A 31 -11.946 2.634 2.492 1.00 0.00 C ATOM 474 O ASN A 31 -12.322 1.792 1.675 1.00 0.00 O ATOM 475 CB ASN A 31 -11.682 1.533 4.738 1.00 0.00 C ATOM 476 CG ASN A 31 -11.792 0.032 4.531 1.00 0.00 C ATOM 477 OD1 ASN A 31 -11.413 -0.728 5.409 1.00 0.00 O ATOM 478 ND2 ASN A 31 -12.301 -0.429 3.400 1.00 0.00 N ATOM 0 H ASN A 31 -10.406 3.594 5.079 1.00 0.00 H new ATOM 0 HA ASN A 31 -10.228 1.552 3.143 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -11.155 1.729 5.672 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -12.681 1.956 4.841 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -12.382 -1.435 3.250 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -12.612 0.221 2.678 1.00 0.00 H new ATOM 485 N ASP A 32 -12.339 3.915 2.447 1.00 0.00 N ATOM 486 CA ASP A 32 -13.135 4.485 1.358 1.00 0.00 C ATOM 487 C ASP A 32 -12.414 4.236 0.043 1.00 0.00 C ATOM 488 O ASP A 32 -13.030 3.880 -0.959 1.00 0.00 O ATOM 489 CB ASP A 32 -13.296 6.015 1.480 1.00 0.00 C ATOM 490 CG ASP A 32 -13.900 6.516 2.787 1.00 0.00 C ATOM 491 OD1 ASP A 32 -15.045 6.141 3.111 1.00 0.00 O ATOM 492 OD2 ASP A 32 -13.205 7.294 3.484 1.00 0.00 O ATOM 0 H ASP A 32 -12.109 4.590 3.176 1.00 0.00 H new ATOM 0 HA ASP A 32 -14.117 4.014 1.403 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -12.316 6.476 1.354 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -13.920 6.363 0.657 1.00 0.00 H new ATOM 497 N ASP A 33 -11.093 4.430 0.047 1.00 0.00 N ATOM 498 CA ASP A 33 -10.279 4.364 -1.150 1.00 0.00 C ATOM 499 C ASP A 33 -9.930 2.935 -1.511 1.00 0.00 C ATOM 500 O ASP A 33 -9.826 2.615 -2.694 1.00 0.00 O ATOM 501 CB ASP A 33 -9.043 5.253 -1.024 1.00 0.00 C ATOM 502 CG ASP A 33 -9.286 6.506 -1.847 1.00 0.00 C ATOM 503 OD1 ASP A 33 -9.055 6.472 -3.073 1.00 0.00 O ATOM 504 OD2 ASP A 33 -9.707 7.521 -1.242 1.00 0.00 O ATOM 0 H ASP A 33 -10.562 4.639 0.893 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.870 4.755 -1.979 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.863 5.511 0.020 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.157 4.728 -1.380 1.00 0.00 H new ATOM 509 N TRP A 34 -9.831 2.050 -0.512 1.00 0.00 N ATOM 510 CA TRP A 34 -9.724 0.621 -0.778 1.00 0.00 C ATOM 511 C TRP A 34 -10.920 0.161 -1.611 1.00 0.00 C ATOM 512 O TRP A 34 -10.735 -0.557 -2.592 1.00 0.00 O ATOM 513 CB TRP A 34 -9.630 -0.188 0.516 1.00 0.00 C ATOM 514 CG TRP A 34 -9.656 -1.676 0.317 1.00 0.00 C ATOM 515 CD1 TRP A 34 -10.762 -2.455 0.291 1.00 0.00 C ATOM 516 CD2 TRP A 34 -8.555 -2.549 -0.066 1.00 0.00 C ATOM 517 NE1 TRP A 34 -10.420 -3.731 -0.110 1.00 0.00 N ATOM 518 CE2 TRP A 34 -9.075 -3.836 -0.380 1.00 0.00 C ATOM 519 CE3 TRP A 34 -7.178 -2.346 -0.281 1.00 0.00 C ATOM 520 CZ2 TRP A 34 -8.270 -4.856 -0.910 1.00 0.00 C ATOM 521 CZ3 TRP A 34 -6.366 -3.354 -0.822 1.00 0.00 C ATOM 522 CH2 TRP A 34 -6.906 -4.613 -1.136 1.00 0.00 C ATOM 0 H TRP A 34 -9.823 2.300 0.477 1.00 0.00 H new ATOM 0 HA TRP A 34 -8.805 0.447 -1.338 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -8.709 0.082 1.033 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -10.457 0.094 1.168 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -11.760 -2.129 0.545 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -11.083 -4.501 -0.196 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -6.738 -1.394 -0.024 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -8.697 -5.821 -1.142 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -5.318 -3.161 -0.999 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -6.276 -5.388 -1.548 1.00 0.00 H new ATOM 533 N GLN A 35 -12.132 0.589 -1.237 1.00 0.00 N ATOM 534 CA GLN A 35 -13.337 0.326 -2.005 1.00 0.00 C ATOM 535 C GLN A 35 -13.260 1.016 -3.371 1.00 0.00 C ATOM 536 O GLN A 35 -13.504 0.377 -4.390 1.00 0.00 O ATOM 537 CB GLN A 35 -14.545 0.790 -1.184 1.00 0.00 C ATOM 538 CG GLN A 35 -14.848 -0.143 -0.001 1.00 0.00 C ATOM 539 CD GLN A 35 -15.565 -1.426 -0.442 1.00 0.00 C ATOM 540 OE1 GLN A 35 -16.375 -1.407 -1.358 1.00 0.00 O ATOM 541 NE2 GLN A 35 -15.293 -2.578 0.150 1.00 0.00 N ATOM 0 H GLN A 35 -12.296 1.129 -0.388 1.00 0.00 H new ATOM 0 HA GLN A 35 -13.441 -0.741 -2.202 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -14.360 1.797 -0.810 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -15.420 0.846 -1.831 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -13.916 -0.404 0.501 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -15.465 0.384 0.726 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -14.620 -2.612 0.916 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -15.756 -3.432 -0.159 1.00 0.00 H new ATOM 550 N ARG A 36 -12.883 2.299 -3.422 1.00 0.00 N ATOM 551 CA ARG A 36 -12.743 3.031 -4.695 1.00 0.00 C ATOM 552 C ARG A 36 -11.836 2.323 -5.709 1.00 0.00 C ATOM 553 O ARG A 36 -12.038 2.521 -6.906 1.00 0.00 O ATOM 554 CB ARG A 36 -12.251 4.469 -4.471 1.00 0.00 C ATOM 555 CG ARG A 36 -13.320 5.382 -3.847 1.00 0.00 C ATOM 556 CD ARG A 36 -12.702 6.523 -3.030 1.00 0.00 C ATOM 557 NE ARG A 36 -13.595 7.684 -2.931 1.00 0.00 N ATOM 558 CZ ARG A 36 -13.212 8.910 -2.557 1.00 0.00 C ATOM 559 NH1 ARG A 36 -11.984 9.120 -2.080 1.00 0.00 N ATOM 560 NH2 ARG A 36 -14.053 9.928 -2.713 1.00 0.00 N ATOM 0 H ARG A 36 -12.668 2.857 -2.596 1.00 0.00 H new ATOM 0 HA ARG A 36 -13.746 3.058 -5.122 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.375 4.450 -3.823 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -11.933 4.891 -5.425 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -13.944 5.800 -4.637 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -13.972 4.789 -3.205 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -12.465 6.163 -2.029 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -11.762 6.828 -3.490 1.00 0.00 H new ATOM 0 HE ARG A 36 -14.578 7.546 -3.164 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -11.329 8.343 -1.998 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -11.700 10.058 -1.797 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -14.977 9.769 -3.114 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -13.774 10.868 -2.432 1.00 0.00 H new ATOM 696 N LEU A 45 -6.504 -8.040 -8.810 1.00 0.00 N ATOM 697 CA LEU A 45 -6.129 -8.436 -7.465 1.00 0.00 C ATOM 698 C LEU A 45 -5.543 -9.834 -7.608 1.00 0.00 C ATOM 699 O LEU A 45 -6.236 -10.734 -8.080 1.00 0.00 O ATOM 700 CB LEU A 45 -7.354 -8.427 -6.536 1.00 0.00 C ATOM 701 CG LEU A 45 -7.925 -7.020 -6.286 1.00 0.00 C ATOM 702 CD1 LEU A 45 -9.292 -7.143 -5.607 1.00 0.00 C ATOM 703 CD2 LEU A 45 -6.983 -6.149 -5.438 1.00 0.00 C ATOM 0 HA LEU A 45 -5.410 -7.750 -7.018 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.133 -9.055 -6.969 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.079 -8.874 -5.581 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.030 -6.524 -7.251 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -9.700 -6.148 -5.428 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -9.970 -7.703 -6.252 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -9.181 -7.666 -4.657 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.431 -5.166 -5.290 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.821 -6.624 -4.470 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.028 -6.039 -5.952 1.00 0.00 H new ATOM 715 N GLN A 46 -4.266 -10.006 -7.281 1.00 0.00 N ATOM 716 CA GLN A 46 -3.524 -11.257 -7.395 1.00 0.00 C ATOM 717 C GLN A 46 -3.085 -11.696 -5.999 1.00 0.00 C ATOM 718 O GLN A 46 -2.869 -10.861 -5.110 1.00 0.00 O ATOM 719 CB GLN A 46 -2.316 -11.075 -8.327 1.00 0.00 C ATOM 720 CG GLN A 46 -2.743 -10.676 -9.750 1.00 0.00 C ATOM 721 CD GLN A 46 -1.580 -10.160 -10.593 1.00 0.00 C ATOM 722 OE1 GLN A 46 -1.275 -10.675 -11.665 1.00 0.00 O ATOM 723 NE2 GLN A 46 -0.932 -9.090 -10.168 1.00 0.00 N ATOM 0 H GLN A 46 -3.696 -9.244 -6.914 1.00 0.00 H new ATOM 0 HA GLN A 46 -4.159 -12.030 -7.828 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -1.655 -10.311 -7.919 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -1.745 -12.003 -8.366 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -3.191 -11.538 -10.245 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -3.513 -9.907 -9.691 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -1.184 -8.661 -9.278 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -0.179 -8.693 -10.730 1.00 0.00 H new ATOM 732 N TYR A 47 -2.929 -13.006 -5.814 1.00 0.00 N ATOM 733 CA TYR A 47 -2.266 -13.565 -4.645 1.00 0.00 C ATOM 734 C TYR A 47 -0.862 -12.982 -4.606 1.00 0.00 C ATOM 735 O TYR A 47 -0.222 -12.815 -5.642 1.00 0.00 O ATOM 736 CB TYR A 47 -2.283 -15.100 -4.708 1.00 0.00 C ATOM 737 CG TYR A 47 -3.643 -15.689 -5.048 1.00 0.00 C ATOM 738 CD1 TYR A 47 -4.792 -15.261 -4.353 1.00 0.00 C ATOM 739 CD2 TYR A 47 -3.771 -16.618 -6.100 1.00 0.00 C ATOM 740 CE1 TYR A 47 -6.065 -15.711 -4.737 1.00 0.00 C ATOM 741 CE2 TYR A 47 -5.041 -17.101 -6.467 1.00 0.00 C ATOM 742 CZ TYR A 47 -6.195 -16.636 -5.796 1.00 0.00 C ATOM 743 OH TYR A 47 -7.420 -17.089 -6.171 1.00 0.00 O ATOM 0 H TYR A 47 -3.261 -13.709 -6.475 1.00 0.00 H new ATOM 0 HA TYR A 47 -2.782 -13.303 -3.721 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -1.559 -15.431 -5.452 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -1.956 -15.497 -3.747 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.692 -14.582 -3.519 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -2.892 -16.960 -6.626 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -6.944 -15.350 -4.223 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.134 -17.827 -7.261 1.00 0.00 H new ATOM 0 HH TYR A 47 -7.322 -17.718 -6.916 1.00 0.00 H new ATOM 753 N GLY A 48 -0.405 -12.611 -3.415 1.00 0.00 N ATOM 754 CA GLY A 48 0.914 -12.035 -3.258 1.00 0.00 C ATOM 755 C GLY A 48 0.978 -10.517 -3.433 1.00 0.00 C ATOM 756 O GLY A 48 2.081 -9.978 -3.333 1.00 0.00 O ATOM 0 H GLY A 48 -0.933 -12.701 -2.547 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.290 -12.288 -2.267 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.585 -12.498 -3.981 1.00 0.00 H new ATOM 760 N ASP A 49 -0.144 -9.814 -3.647 1.00 0.00 N ATOM 761 CA ASP A 49 -0.180 -8.389 -4.031 1.00 0.00 C ATOM 762 C ASP A 49 0.343 -7.412 -2.966 1.00 0.00 C ATOM 763 O ASP A 49 0.533 -6.234 -3.258 1.00 0.00 O ATOM 764 CB ASP A 49 -1.621 -7.982 -4.386 1.00 0.00 C ATOM 765 CG ASP A 49 -1.952 -7.953 -5.874 1.00 0.00 C ATOM 766 OD1 ASP A 49 -1.092 -8.187 -6.750 1.00 0.00 O ATOM 767 OD2 ASP A 49 -3.128 -7.654 -6.178 1.00 0.00 O ATOM 0 H ASP A 49 -1.073 -10.226 -3.557 1.00 0.00 H new ATOM 0 HA ASP A 49 0.495 -8.312 -4.884 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.306 -8.672 -3.894 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.812 -6.993 -3.971 1.00 0.00 H new ATOM 772 N LYS A 50 0.567 -7.901 -1.743 1.00 0.00 N ATOM 773 CA LYS A 50 1.117 -7.237 -0.554 1.00 0.00 C ATOM 774 C LYS A 50 0.409 -5.939 -0.136 1.00 0.00 C ATOM 775 O LYS A 50 0.322 -4.968 -0.889 1.00 0.00 O ATOM 776 CB LYS A 50 2.619 -6.958 -0.742 1.00 0.00 C ATOM 777 CG LYS A 50 3.393 -6.922 0.590 1.00 0.00 C ATOM 778 CD LYS A 50 4.854 -6.501 0.365 1.00 0.00 C ATOM 779 CE LYS A 50 5.665 -7.620 -0.309 1.00 0.00 C ATOM 780 NZ LYS A 50 6.237 -7.198 -1.601 1.00 0.00 N ATOM 0 H LYS A 50 0.344 -8.875 -1.538 1.00 0.00 H new ATOM 0 HA LYS A 50 0.944 -7.943 0.258 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.048 -7.726 -1.385 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.745 -6.005 -1.256 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.911 -6.225 1.276 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.362 -7.905 1.060 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.884 -5.605 -0.254 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.311 -6.244 1.321 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.469 -7.934 0.356 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.023 -8.487 -0.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 6.774 -7.986 -2.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 5.470 -6.923 -2.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.871 -6.387 -1.452 1.00 0.00 H new ATOM 794 N LEU A 51 0.017 -5.860 1.130 1.00 0.00 N ATOM 795 CA LEU A 51 -0.382 -4.621 1.776 1.00 0.00 C ATOM 796 C LEU A 51 0.645 -4.285 2.851 1.00 0.00 C ATOM 797 O LEU A 51 1.357 -5.157 3.359 1.00 0.00 O ATOM 798 CB LEU A 51 -1.806 -4.747 2.354 1.00 0.00 C ATOM 799 CG LEU A 51 -2.931 -4.371 1.374 1.00 0.00 C ATOM 800 CD1 LEU A 51 -4.282 -4.785 1.964 1.00 0.00 C ATOM 801 CD2 LEU A 51 -2.955 -2.866 1.091 1.00 0.00 C ATOM 0 H LEU A 51 -0.032 -6.672 1.746 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.410 -3.807 1.051 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.960 -5.774 2.686 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.883 -4.112 3.236 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.744 -4.895 0.437 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.079 -4.519 1.270 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.291 -5.862 2.131 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.439 -4.269 2.911 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.763 -2.639 0.395 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.116 -2.323 2.022 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.004 -2.563 0.654 1.00 0.00 H new ATOM 813 N VAL A 52 0.692 -3.002 3.187 1.00 0.00 N ATOM 814 CA VAL A 52 1.508 -2.366 4.207 1.00 0.00 C ATOM 815 C VAL A 52 0.628 -1.238 4.739 1.00 0.00 C ATOM 816 O VAL A 52 -0.013 -0.552 3.934 1.00 0.00 O ATOM 817 CB VAL A 52 2.798 -1.814 3.555 1.00 0.00 C ATOM 818 CG1 VAL A 52 3.588 -0.879 4.483 1.00 0.00 C ATOM 819 CG2 VAL A 52 3.717 -2.948 3.089 1.00 0.00 C ATOM 0 H VAL A 52 0.105 -2.320 2.707 1.00 0.00 H new ATOM 0 HA VAL A 52 1.821 -3.042 5.003 1.00 0.00 H new ATOM 0 HB VAL A 52 2.464 -1.232 2.696 1.00 0.00 H new ATOM 0 HG11 VAL A 52 4.481 -0.525 3.968 1.00 0.00 H new ATOM 0 HG12 VAL A 52 2.966 -0.027 4.757 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.878 -1.420 5.383 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.614 -2.526 2.636 1.00 0.00 H new ATOM 0 HG22 VAL A 52 3.997 -3.564 3.944 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.194 -3.562 2.356 1.00 0.00 H new ATOM 829 N ASP A 53 0.590 -1.006 6.049 1.00 0.00 N ATOM 830 CA ASP A 53 -0.171 0.071 6.683 1.00 0.00 C ATOM 831 C ASP A 53 0.754 1.048 7.424 1.00 0.00 C ATOM 832 O ASP A 53 1.982 0.897 7.404 1.00 0.00 O ATOM 833 CB ASP A 53 -1.243 -0.552 7.586 1.00 0.00 C ATOM 834 CG ASP A 53 -0.755 -1.087 8.937 1.00 0.00 C ATOM 835 OD1 ASP A 53 0.466 -1.250 9.144 1.00 0.00 O ATOM 836 OD2 ASP A 53 -1.627 -1.333 9.800 1.00 0.00 O ATOM 0 H ASP A 53 1.103 -1.578 6.720 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.674 0.672 5.925 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.014 0.196 7.771 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.717 -1.370 7.043 1.00 0.00 H new ATOM 841 N SER A 54 0.187 2.073 8.066 1.00 0.00 N ATOM 842 CA SER A 54 0.949 3.053 8.856 1.00 0.00 C ATOM 843 C SER A 54 1.623 2.457 10.105 1.00 0.00 C ATOM 844 O SER A 54 2.395 3.148 10.773 1.00 0.00 O ATOM 845 CB SER A 54 0.038 4.216 9.269 1.00 0.00 C ATOM 846 OG SER A 54 0.150 5.306 8.366 1.00 0.00 O ATOM 0 H SER A 54 -0.817 2.250 8.054 1.00 0.00 H new ATOM 0 HA SER A 54 1.752 3.405 8.208 1.00 0.00 H new ATOM 0 HB2 SER A 54 -0.997 3.875 9.304 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.299 4.546 10.274 1.00 0.00 H new ATOM 0 HG SER A 54 -0.172 6.124 8.799 1.00 0.00 H new ATOM 852 N ASN A 55 1.339 1.199 10.438 1.00 0.00 N ATOM 853 CA ASN A 55 1.960 0.441 11.522 1.00 0.00 C ATOM 854 C ASN A 55 3.034 -0.518 10.995 1.00 0.00 C ATOM 855 O ASN A 55 3.592 -1.278 11.790 1.00 0.00 O ATOM 856 CB ASN A 55 0.883 -0.322 12.313 1.00 0.00 C ATOM 857 CG ASN A 55 0.265 0.535 13.401 1.00 0.00 C ATOM 858 OD1 ASN A 55 0.550 0.348 14.581 1.00 0.00 O ATOM 859 ND2 ASN A 55 -0.561 1.499 13.044 1.00 0.00 N ATOM 0 H ASN A 55 0.637 0.656 9.936 1.00 0.00 H new ATOM 0 HA ASN A 55 2.456 1.145 12.190 1.00 0.00 H new ATOM 0 HB2 ASN A 55 0.103 -0.660 11.631 1.00 0.00 H new ATOM 0 HB3 ASN A 55 1.324 -1.213 12.760 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -0.975 2.104 13.753 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -0.786 1.639 12.059 1.00 0.00 H new ATOM 866 N PHE A 56 3.352 -0.482 9.690 1.00 0.00 N ATOM 867 CA PHE A 56 4.323 -1.356 9.031 1.00 0.00 C ATOM 868 C PHE A 56 3.937 -2.836 9.180 1.00 0.00 C ATOM 869 O PHE A 56 4.792 -3.706 9.010 1.00 0.00 O ATOM 870 CB PHE A 56 5.758 -1.063 9.525 1.00 0.00 C ATOM 871 CG PHE A 56 6.388 0.226 9.034 1.00 0.00 C ATOM 872 CD1 PHE A 56 5.863 1.484 9.388 1.00 0.00 C ATOM 873 CD2 PHE A 56 7.527 0.164 8.210 1.00 0.00 C ATOM 874 CE1 PHE A 56 6.463 2.660 8.908 1.00 0.00 C ATOM 875 CE2 PHE A 56 8.131 1.339 7.738 1.00 0.00 C ATOM 876 CZ PHE A 56 7.598 2.592 8.083 1.00 0.00 C ATOM 0 H PHE A 56 2.922 0.182 9.047 1.00 0.00 H new ATOM 0 HA PHE A 56 4.306 -1.139 7.963 1.00 0.00 H new ATOM 0 HB2 PHE A 56 5.748 -1.045 10.615 1.00 0.00 H new ATOM 0 HB3 PHE A 56 6.399 -1.892 9.226 1.00 0.00 H new ATOM 0 HD1 PHE A 56 4.997 1.545 10.030 1.00 0.00 H new ATOM 0 HD2 PHE A 56 7.940 -0.796 7.939 1.00 0.00 H new ATOM 0 HE1 PHE A 56 6.050 3.621 9.175 1.00 0.00 H new ATOM 0 HE2 PHE A 56 9.007 1.280 7.109 1.00 0.00 H new ATOM 0 HZ PHE A 56 8.058 3.498 7.716 1.00 0.00 H new ATOM 886 N HIS A 57 2.679 -3.176 9.471 1.00 0.00 N ATOM 887 CA HIS A 57 2.244 -4.566 9.448 1.00 0.00 C ATOM 888 C HIS A 57 2.167 -5.006 7.990 1.00 0.00 C ATOM 889 O HIS A 57 1.354 -4.470 7.233 1.00 0.00 O ATOM 890 CB HIS A 57 0.918 -4.732 10.185 1.00 0.00 C ATOM 891 CG HIS A 57 1.007 -4.538 11.679 1.00 0.00 C ATOM 892 ND1 HIS A 57 -0.048 -4.621 12.556 1.00 0.00 N ATOM 893 CD2 HIS A 57 2.132 -4.273 12.414 1.00 0.00 C ATOM 894 CE1 HIS A 57 0.411 -4.369 13.787 1.00 0.00 C ATOM 895 NE2 HIS A 57 1.741 -4.192 13.753 1.00 0.00 N ATOM 0 H HIS A 57 1.950 -2.508 9.724 1.00 0.00 H new ATOM 0 HA HIS A 57 2.955 -5.204 9.972 1.00 0.00 H new ATOM 0 HB2 HIS A 57 0.200 -4.019 9.780 1.00 0.00 H new ATOM 0 HB3 HIS A 57 0.526 -5.729 9.983 1.00 0.00 H new ATOM 0 HD2 HIS A 57 3.134 -4.150 12.030 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -0.199 -4.316 14.677 1.00 0.00 H new ATOM 0 HE2 HIS A 57 2.351 -4.029 14.554 1.00 0.00 H new ATOM 903 N CYS A 58 3.058 -5.915 7.574 1.00 0.00 N ATOM 904 CA CYS A 58 2.991 -6.445 6.229 1.00 0.00 C ATOM 905 C CYS A 58 1.895 -7.490 6.196 1.00 0.00 C ATOM 906 O CYS A 58 1.685 -8.261 7.139 1.00 0.00 O ATOM 907 CB CYS A 58 4.292 -7.111 5.762 1.00 0.00 C ATOM 908 SG CYS A 58 4.785 -6.447 4.152 1.00 0.00 S ATOM 0 H CYS A 58 3.817 -6.286 8.146 1.00 0.00 H new ATOM 0 HA CYS A 58 2.802 -5.605 5.560 1.00 0.00 H new ATOM 0 HB2 CYS A 58 5.082 -6.938 6.493 1.00 0.00 H new ATOM 0 HB3 CYS A 58 4.153 -8.190 5.692 1.00 0.00 H new ATOM 0 HG CYS A 58 5.889 -7.016 3.767 1.00 0.00 H new ATOM 914 N PHE A 59 1.279 -7.558 5.031 1.00 0.00 N ATOM 915 CA PHE A 59 0.106 -8.336 4.754 1.00 0.00 C ATOM 916 C PHE A 59 0.256 -8.894 3.339 1.00 0.00 C ATOM 917 O PHE A 59 0.793 -8.222 2.465 1.00 0.00 O ATOM 918 CB PHE A 59 -1.064 -7.353 4.913 1.00 0.00 C ATOM 919 CG PHE A 59 -1.350 -6.898 6.340 1.00 0.00 C ATOM 920 CD1 PHE A 59 -1.383 -7.817 7.408 1.00 0.00 C ATOM 921 CD2 PHE A 59 -1.558 -5.534 6.606 1.00 0.00 C ATOM 922 CE1 PHE A 59 -1.618 -7.382 8.723 1.00 0.00 C ATOM 923 CE2 PHE A 59 -1.783 -5.093 7.920 1.00 0.00 C ATOM 924 CZ PHE A 59 -1.814 -6.014 8.980 1.00 0.00 C ATOM 0 H PHE A 59 1.608 -7.041 4.215 1.00 0.00 H new ATOM 0 HA PHE A 59 -0.055 -9.190 5.412 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -0.861 -6.473 4.303 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -1.964 -7.819 4.511 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -1.226 -8.868 7.213 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -1.545 -4.821 5.795 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -1.648 -8.096 9.533 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -1.933 -4.042 8.116 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.988 -5.672 9.990 1.00 0.00 H new ATOM 934 N VAL A 60 -0.207 -10.117 3.099 1.00 0.00 N ATOM 935 CA VAL A 60 -0.233 -10.846 1.838 1.00 0.00 C ATOM 936 C VAL A 60 -1.678 -11.334 1.626 1.00 0.00 C ATOM 937 O VAL A 60 -2.398 -11.585 2.597 1.00 0.00 O ATOM 938 CB VAL A 60 0.815 -11.985 1.918 1.00 0.00 C ATOM 939 CG1 VAL A 60 0.707 -12.974 0.754 1.00 0.00 C ATOM 940 CG2 VAL A 60 2.241 -11.407 1.918 1.00 0.00 C ATOM 0 H VAL A 60 -0.610 -10.673 3.853 1.00 0.00 H new ATOM 0 HA VAL A 60 0.037 -10.236 0.976 1.00 0.00 H new ATOM 0 HB VAL A 60 0.609 -12.517 2.847 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.466 -13.749 0.863 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.282 -13.432 0.756 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.861 -12.446 -0.187 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.964 -12.221 1.975 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.404 -10.840 1.001 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.367 -10.749 2.778 1.00 0.00 H new ATOM 950 N LEU A 61 -2.117 -11.402 0.365 1.00 0.00 N ATOM 951 CA LEU A 61 -3.384 -12.007 -0.050 1.00 0.00 C ATOM 952 C LEU A 61 -3.130 -13.485 -0.293 1.00 0.00 C ATOM 953 O LEU A 61 -2.131 -13.798 -0.947 1.00 0.00 O ATOM 954 CB LEU A 61 -3.858 -11.380 -1.380 1.00 0.00 C ATOM 955 CG LEU A 61 -5.234 -11.921 -1.834 1.00 0.00 C ATOM 956 CD1 LEU A 61 -6.389 -11.342 -1.021 1.00 0.00 C ATOM 957 CD2 LEU A 61 -5.501 -11.597 -3.301 1.00 0.00 C ATOM 0 H LEU A 61 -1.583 -11.025 -0.418 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.140 -11.847 0.718 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.916 -10.297 -1.267 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.119 -11.580 -2.156 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.186 -12.999 -1.679 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -7.331 -11.755 -1.382 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -6.259 -11.599 0.030 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -6.403 -10.258 -1.130 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.476 -11.991 -3.589 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.490 -10.516 -3.443 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.728 -12.052 -3.921 1.00 0.00 H new ATOM 969 N GLU A 62 -4.041 -14.358 0.127 1.00 0.00 N ATOM 970 CA GLU A 62 -3.952 -15.796 -0.107 1.00 0.00 C ATOM 971 C GLU A 62 -5.114 -16.294 -0.967 1.00 0.00 C ATOM 972 O GLU A 62 -6.109 -15.591 -1.165 1.00 0.00 O ATOM 973 CB GLU A 62 -3.899 -16.534 1.240 1.00 0.00 C ATOM 974 CG GLU A 62 -2.612 -16.222 2.013 1.00 0.00 C ATOM 975 CD GLU A 62 -2.221 -17.376 2.939 1.00 0.00 C ATOM 976 OE1 GLU A 62 -2.004 -18.506 2.437 1.00 0.00 O ATOM 977 OE2 GLU A 62 -2.088 -17.156 4.160 1.00 0.00 O ATOM 0 H GLU A 62 -4.874 -14.082 0.647 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.036 -16.005 -0.660 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.762 -16.251 1.843 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.968 -17.608 1.068 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.802 -16.028 1.310 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.750 -15.314 2.600 1.00 0.00 H new ATOM 984 N GLU A 63 -5.003 -17.545 -1.426 1.00 0.00 N ATOM 985 CA GLU A 63 -5.982 -18.226 -2.262 1.00 0.00 C ATOM 986 C GLU A 63 -7.370 -18.298 -1.605 1.00 0.00 C ATOM 987 O GLU A 63 -8.386 -18.396 -2.296 1.00 0.00 O ATOM 988 CB GLU A 63 -5.527 -19.664 -2.569 1.00 0.00 C ATOM 989 CG GLU A 63 -4.208 -19.793 -3.345 1.00 0.00 C ATOM 990 CD GLU A 63 -2.955 -19.957 -2.487 1.00 0.00 C ATOM 991 OE1 GLU A 63 -2.896 -19.393 -1.365 1.00 0.00 O ATOM 992 OE2 GLU A 63 -1.978 -20.586 -2.960 1.00 0.00 O ATOM 0 H GLU A 63 -4.194 -18.129 -1.214 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.056 -17.640 -3.178 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.427 -20.203 -1.627 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.313 -20.160 -3.139 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -4.283 -20.649 -4.015 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.086 -18.908 -3.970 1.00 0.00 H new ATOM 999 N ASP A 64 -7.423 -18.234 -0.273 1.00 0.00 N ATOM 1000 CA ASP A 64 -8.663 -18.246 0.511 1.00 0.00 C ATOM 1001 C ASP A 64 -9.473 -16.941 0.394 1.00 0.00 C ATOM 1002 O ASP A 64 -10.557 -16.799 0.960 1.00 0.00 O ATOM 1003 CB ASP A 64 -8.335 -18.579 1.971 1.00 0.00 C ATOM 1004 CG ASP A 64 -9.434 -19.403 2.654 1.00 0.00 C ATOM 1005 OD1 ASP A 64 -10.052 -20.223 1.939 1.00 0.00 O ATOM 1006 OD2 ASP A 64 -9.654 -19.297 3.887 1.00 0.00 O ATOM 0 H ASP A 64 -6.585 -18.171 0.306 1.00 0.00 H new ATOM 0 HA ASP A 64 -9.309 -19.020 0.096 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -7.396 -19.131 2.011 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -8.184 -17.653 2.525 1.00 0.00 H new ATOM 1011 N ALA A 65 -8.951 -15.983 -0.379 1.00 0.00 N ATOM 1012 CA ALA A 65 -9.476 -14.652 -0.648 1.00 0.00 C ATOM 1013 C ALA A 65 -9.499 -13.733 0.581 1.00 0.00 C ATOM 1014 O ALA A 65 -10.085 -12.644 0.514 1.00 0.00 O ATOM 1015 CB ALA A 65 -10.829 -14.721 -1.365 1.00 0.00 C ATOM 0 H ALA A 65 -8.073 -16.139 -0.873 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.769 -14.178 -1.329 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -11.194 -13.711 -1.551 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -10.712 -15.245 -2.313 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -11.545 -15.256 -0.741 1.00 0.00 H new ATOM 1021 N HIS A 66 -8.832 -14.128 1.667 1.00 0.00 N ATOM 1022 CA HIS A 66 -8.561 -13.280 2.818 1.00 0.00 C ATOM 1023 C HIS A 66 -7.134 -12.730 2.755 1.00 0.00 C ATOM 1024 O HIS A 66 -6.370 -13.067 1.847 1.00 0.00 O ATOM 1025 CB HIS A 66 -8.864 -14.056 4.112 1.00 0.00 C ATOM 1026 CG HIS A 66 -8.044 -15.303 4.350 1.00 0.00 C ATOM 1027 ND1 HIS A 66 -8.502 -16.447 4.970 1.00 0.00 N ATOM 1028 CD2 HIS A 66 -6.732 -15.517 4.014 1.00 0.00 C ATOM 1029 CE1 HIS A 66 -7.496 -17.332 5.012 1.00 0.00 C ATOM 1030 NE2 HIS A 66 -6.401 -16.798 4.447 1.00 0.00 N ATOM 0 H HIS A 66 -8.458 -15.072 1.768 1.00 0.00 H new ATOM 0 HA HIS A 66 -9.218 -12.410 2.808 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -8.718 -13.383 4.957 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -9.918 -14.335 4.105 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -6.078 -14.822 3.508 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -7.557 -18.324 5.436 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -5.491 -17.249 4.352 1.00 0.00 H new ATOM 1038 N TRP A 67 -6.763 -11.934 3.758 1.00 0.00 N ATOM 1039 CA TRP A 67 -5.433 -11.375 3.945 1.00 0.00 C ATOM 1040 C TRP A 67 -4.889 -11.938 5.277 1.00 0.00 C ATOM 1041 O TRP A 67 -5.555 -11.774 6.305 1.00 0.00 O ATOM 1042 CB TRP A 67 -5.552 -9.832 3.897 1.00 0.00 C ATOM 1043 CG TRP A 67 -5.738 -9.206 2.540 1.00 0.00 C ATOM 1044 CD1 TRP A 67 -6.908 -8.989 1.895 1.00 0.00 C ATOM 1045 CD2 TRP A 67 -4.702 -8.684 1.649 1.00 0.00 C ATOM 1046 NE1 TRP A 67 -6.657 -8.396 0.666 1.00 0.00 N ATOM 1047 CE2 TRP A 67 -5.309 -8.207 0.454 1.00 0.00 C ATOM 1048 CE3 TRP A 67 -3.299 -8.567 1.730 1.00 0.00 C ATOM 1049 CZ2 TRP A 67 -4.559 -7.692 -0.617 1.00 0.00 C ATOM 1050 CZ3 TRP A 67 -2.533 -8.064 0.663 1.00 0.00 C ATOM 1051 CH2 TRP A 67 -3.160 -7.630 -0.516 1.00 0.00 C ATOM 0 H TRP A 67 -7.413 -11.652 4.492 1.00 0.00 H new ATOM 0 HA TRP A 67 -4.723 -11.650 3.165 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -6.392 -9.537 4.525 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -4.654 -9.408 4.346 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -7.886 -9.239 2.278 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -7.383 -8.132 -0.000 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -2.799 -8.872 2.637 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -5.055 -7.346 -1.512 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -1.458 -8.011 0.751 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -2.571 -7.252 -1.338 1.00 0.00 H new ATOM 1062 N HIS A 68 -3.741 -12.639 5.272 1.00 0.00 N ATOM 1063 CA HIS A 68 -3.094 -13.221 6.464 1.00 0.00 C ATOM 1064 C HIS A 68 -1.773 -12.495 6.813 1.00 0.00 C ATOM 1065 O HIS A 68 -1.116 -11.960 5.916 1.00 0.00 O ATOM 1066 CB HIS A 68 -2.852 -14.726 6.247 1.00 0.00 C ATOM 1067 CG HIS A 68 -3.728 -15.599 7.102 1.00 0.00 C ATOM 1068 ND1 HIS A 68 -5.025 -15.972 6.840 1.00 0.00 N ATOM 1069 CD2 HIS A 68 -3.352 -16.219 8.260 1.00 0.00 C ATOM 1070 CE1 HIS A 68 -5.441 -16.760 7.841 1.00 0.00 C ATOM 1071 NE2 HIS A 68 -4.465 -16.905 8.754 1.00 0.00 N ATOM 0 H HIS A 68 -3.222 -12.822 4.413 1.00 0.00 H new ATOM 0 HA HIS A 68 -3.766 -13.087 7.312 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -3.024 -14.967 5.198 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.807 -14.953 6.459 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -5.575 -15.697 6.026 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -2.372 -16.185 8.712 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -6.419 -17.213 7.905 1.00 0.00 H new ATOM 1079 N PRO A 69 -1.381 -12.385 8.097 1.00 0.00 N ATOM 1080 CA PRO A 69 -0.263 -11.540 8.517 1.00 0.00 C ATOM 1081 C PRO A 69 1.086 -12.046 8.003 1.00 0.00 C ATOM 1082 O PRO A 69 1.328 -13.251 7.928 1.00 0.00 O ATOM 1083 CB PRO A 69 -0.310 -11.512 10.045 1.00 0.00 C ATOM 1084 CG PRO A 69 -1.022 -12.811 10.400 1.00 0.00 C ATOM 1085 CD PRO A 69 -2.022 -12.970 9.260 1.00 0.00 C ATOM 0 HA PRO A 69 -0.361 -10.540 8.094 1.00 0.00 H new ATOM 0 HB2 PRO A 69 0.690 -11.471 10.477 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -0.853 -10.642 10.414 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -0.329 -13.651 10.451 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -1.519 -12.749 11.368 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -2.260 -14.020 9.090 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -2.960 -12.463 9.487 1.00 0.00 H new ATOM 1093 N ALA A 70 1.985 -11.107 7.696 1.00 0.00 N ATOM 1094 CA ALA A 70 3.265 -11.370 7.058 1.00 0.00 C ATOM 1095 C ALA A 70 4.383 -10.532 7.706 1.00 0.00 C ATOM 1096 O ALA A 70 5.220 -9.976 6.990 1.00 0.00 O ATOM 1097 CB ALA A 70 3.122 -11.133 5.547 1.00 0.00 C ATOM 0 H ALA A 70 1.832 -10.118 7.892 1.00 0.00 H new ATOM 0 HA ALA A 70 3.558 -12.410 7.205 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.076 -11.327 5.056 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.363 -11.804 5.144 1.00 0.00 H new ATOM 0 HB3 ALA A 70 2.825 -10.100 5.367 1.00 0.00 H new ATOM 1103 N ALA A 71 4.395 -10.464 9.048 1.00 0.00 N ATOM 1104 CA ALA A 71 5.386 -9.816 9.920 1.00 0.00 C ATOM 1105 C ALA A 71 5.388 -8.283 9.823 1.00 0.00 C ATOM 1106 O ALA A 71 4.837 -7.713 8.880 1.00 0.00 O ATOM 1107 CB ALA A 71 6.782 -10.398 9.643 1.00 0.00 C ATOM 0 H ALA A 71 3.650 -10.897 9.594 1.00 0.00 H new ATOM 0 HA ALA A 71 5.097 -10.036 10.948 1.00 0.00 H new ATOM 0 HB1 ALA A 71 7.513 -9.915 10.291 1.00 0.00 H new ATOM 0 HB2 ALA A 71 6.775 -11.470 9.840 1.00 0.00 H new ATOM 0 HB3 ALA A 71 7.049 -10.222 8.601 1.00 0.00 H new ATOM 1113 N PRO A 72 6.016 -7.581 10.785 1.00 0.00 N ATOM 1114 CA PRO A 72 6.294 -6.165 10.627 1.00 0.00 C ATOM 1115 C PRO A 72 7.368 -5.923 9.565 1.00 0.00 C ATOM 1116 O PRO A 72 8.077 -6.842 9.133 1.00 0.00 O ATOM 1117 CB PRO A 72 6.763 -5.673 11.990 1.00 0.00 C ATOM 1118 CG PRO A 72 7.373 -6.923 12.617 1.00 0.00 C ATOM 1119 CD PRO A 72 6.462 -8.033 12.096 1.00 0.00 C ATOM 0 HA PRO A 72 5.406 -5.629 10.291 1.00 0.00 H new ATOM 0 HB2 PRO A 72 7.494 -4.870 11.899 1.00 0.00 H new ATOM 0 HB3 PRO A 72 5.936 -5.286 12.585 1.00 0.00 H new ATOM 0 HG2 PRO A 72 8.408 -7.069 12.307 1.00 0.00 H new ATOM 0 HG3 PRO A 72 7.370 -6.873 13.706 1.00 0.00 H new ATOM 0 HD2 PRO A 72 6.997 -8.980 12.024 1.00 0.00 H new ATOM 0 HD3 PRO A 72 5.617 -8.194 12.765 1.00 0.00 H new ATOM 1127 N LEU A 73 7.519 -4.656 9.185 1.00 0.00 N ATOM 1128 CA LEU A 73 8.364 -4.207 8.094 1.00 0.00 C ATOM 1129 C LEU A 73 9.364 -3.171 8.644 1.00 0.00 C ATOM 1130 O LEU A 73 8.975 -2.360 9.488 1.00 0.00 O ATOM 1131 CB LEU A 73 7.384 -3.757 6.989 1.00 0.00 C ATOM 1132 CG LEU A 73 7.974 -3.389 5.624 1.00 0.00 C ATOM 1133 CD1 LEU A 73 7.007 -3.481 4.445 1.00 0.00 C ATOM 1134 CD2 LEU A 73 8.427 -1.968 5.676 1.00 0.00 C ATOM 0 H LEU A 73 7.035 -3.888 9.650 1.00 0.00 H new ATOM 0 HA LEU A 73 9.015 -4.956 7.644 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.659 -4.557 6.837 1.00 0.00 H new ATOM 0 HB3 LEU A 73 6.833 -2.893 7.360 1.00 0.00 H new ATOM 0 HG LEU A 73 8.769 -4.114 5.452 1.00 0.00 H new ATOM 0 HD11 LEU A 73 7.524 -3.200 3.528 1.00 0.00 H new ATOM 0 HD12 LEU A 73 6.638 -4.503 4.356 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.167 -2.806 4.610 1.00 0.00 H new ATOM 0 HD21 LEU A 73 8.851 -1.686 4.712 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.578 -1.323 5.901 1.00 0.00 H new ATOM 0 HD23 LEU A 73 9.184 -1.856 6.452 1.00 0.00 H new ATOM 1146 N PRO A 74 10.625 -3.146 8.164 1.00 0.00 N ATOM 1147 CA PRO A 74 11.678 -2.291 8.714 1.00 0.00 C ATOM 1148 C PRO A 74 11.567 -0.840 8.216 1.00 0.00 C ATOM 1149 O PRO A 74 10.958 -0.598 7.176 1.00 0.00 O ATOM 1150 CB PRO A 74 12.993 -2.938 8.264 1.00 0.00 C ATOM 1151 CG PRO A 74 12.641 -3.698 6.991 1.00 0.00 C ATOM 1152 CD PRO A 74 11.175 -4.056 7.170 1.00 0.00 C ATOM 0 HA PRO A 74 11.606 -2.222 9.799 1.00 0.00 H new ATOM 0 HB2 PRO A 74 13.759 -2.186 8.076 1.00 0.00 H new ATOM 0 HB3 PRO A 74 13.385 -3.608 9.029 1.00 0.00 H new ATOM 0 HG2 PRO A 74 12.797 -3.084 6.104 1.00 0.00 H new ATOM 0 HG3 PRO A 74 13.258 -4.589 6.874 1.00 0.00 H new ATOM 0 HD2 PRO A 74 10.639 -3.963 6.226 1.00 0.00 H new ATOM 0 HD3 PRO A 74 11.069 -5.091 7.496 1.00 0.00 H new ATOM 1160 N PRO A 75 12.234 0.131 8.861 1.00 0.00 N ATOM 1161 CA PRO A 75 12.166 1.544 8.473 1.00 0.00 C ATOM 1162 C PRO A 75 12.760 1.860 7.099 1.00 0.00 C ATOM 1163 O PRO A 75 12.652 2.988 6.622 1.00 0.00 O ATOM 1164 CB PRO A 75 12.925 2.293 9.560 1.00 0.00 C ATOM 1165 CG PRO A 75 13.844 1.248 10.172 1.00 0.00 C ATOM 1166 CD PRO A 75 13.041 -0.037 10.059 1.00 0.00 C ATOM 0 HA PRO A 75 11.121 1.841 8.383 1.00 0.00 H new ATOM 0 HB2 PRO A 75 13.492 3.126 9.146 1.00 0.00 H new ATOM 0 HB3 PRO A 75 12.245 2.709 10.304 1.00 0.00 H new ATOM 0 HG2 PRO A 75 14.789 1.180 9.634 1.00 0.00 H new ATOM 0 HG3 PRO A 75 14.084 1.482 11.209 1.00 0.00 H new ATOM 0 HD2 PRO A 75 13.695 -0.905 9.977 1.00 0.00 H new ATOM 0 HD3 PRO A 75 12.416 -0.191 10.938 1.00 0.00 H new ATOM 1174 N GLU A 76 13.410 0.888 6.473 1.00 0.00 N ATOM 1175 CA GLU A 76 13.928 0.943 5.112 1.00 0.00 C ATOM 1176 C GLU A 76 13.096 0.095 4.133 1.00 0.00 C ATOM 1177 O GLU A 76 13.185 0.325 2.926 1.00 0.00 O ATOM 1178 CB GLU A 76 15.408 0.518 5.108 1.00 0.00 C ATOM 1179 CG GLU A 76 15.658 -0.767 5.913 1.00 0.00 C ATOM 1180 CD GLU A 76 16.728 -1.649 5.281 1.00 0.00 C ATOM 1181 OE1 GLU A 76 17.935 -1.490 5.570 1.00 0.00 O ATOM 1182 OE2 GLU A 76 16.343 -2.555 4.512 1.00 0.00 O ATOM 0 H GLU A 76 13.600 -0.007 6.924 1.00 0.00 H new ATOM 0 HA GLU A 76 13.850 1.972 4.761 1.00 0.00 H new ATOM 0 HB2 GLU A 76 15.736 0.367 4.079 1.00 0.00 H new ATOM 0 HB3 GLU A 76 16.014 1.324 5.521 1.00 0.00 H new ATOM 0 HG2 GLU A 76 15.960 -0.504 6.927 1.00 0.00 H new ATOM 0 HG3 GLU A 76 14.728 -1.329 5.993 1.00 0.00 H new ATOM 1189 N GLY A 77 12.251 -0.835 4.605 1.00 0.00 N ATOM 1190 CA GLY A 77 11.427 -1.675 3.741 1.00 0.00 C ATOM 1191 C GLY A 77 10.358 -0.870 2.997 1.00 0.00 C ATOM 1192 O GLY A 77 9.935 -1.267 1.908 1.00 0.00 O ATOM 0 H GLY A 77 12.124 -1.021 5.600 1.00 0.00 H new ATOM 0 HA2 GLY A 77 12.064 -2.184 3.018 1.00 0.00 H new ATOM 0 HA3 GLY A 77 10.945 -2.447 4.341 1.00 0.00 H new ATOM 1196 N LEU A 78 9.897 0.235 3.598 1.00 0.00 N ATOM 1197 CA LEU A 78 8.905 1.135 3.017 1.00 0.00 C ATOM 1198 C LEU A 78 9.528 1.776 1.782 1.00 0.00 C ATOM 1199 O LEU A 78 8.966 1.742 0.689 1.00 0.00 O ATOM 1200 CB LEU A 78 8.498 2.196 4.060 1.00 0.00 C ATOM 1201 CG LEU A 78 7.679 3.380 3.499 1.00 0.00 C ATOM 1202 CD1 LEU A 78 6.353 2.928 2.879 1.00 0.00 C ATOM 1203 CD2 LEU A 78 7.397 4.388 4.618 1.00 0.00 C ATOM 0 H LEU A 78 10.213 0.530 4.522 1.00 0.00 H new ATOM 0 HA LEU A 78 8.003 0.596 2.728 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.916 1.710 4.843 1.00 0.00 H new ATOM 0 HB3 LEU A 78 9.400 2.588 4.529 1.00 0.00 H new ATOM 0 HG LEU A 78 8.274 3.842 2.711 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.814 3.796 2.499 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.551 2.237 2.060 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.749 2.429 3.636 1.00 0.00 H new ATOM 0 HD21 LEU A 78 6.819 5.222 4.219 1.00 0.00 H new ATOM 0 HD22 LEU A 78 6.831 3.901 5.412 1.00 0.00 H new ATOM 0 HD23 LEU A 78 8.340 4.759 5.020 1.00 0.00 H new ATOM 1215 N ASN A 79 10.731 2.320 1.967 1.00 0.00 N ATOM 1216 CA ASN A 79 11.517 2.998 0.951 1.00 0.00 C ATOM 1217 C ASN A 79 11.837 2.035 -0.193 1.00 0.00 C ATOM 1218 O ASN A 79 11.974 2.481 -1.327 1.00 0.00 O ATOM 1219 CB ASN A 79 12.828 3.559 1.549 1.00 0.00 C ATOM 1220 CG ASN A 79 12.663 4.375 2.830 1.00 0.00 C ATOM 1221 OD1 ASN A 79 12.042 3.913 3.778 1.00 0.00 O ATOM 1222 ND2 ASN A 79 13.214 5.575 2.913 1.00 0.00 N ATOM 0 H ASN A 79 11.200 2.296 2.872 1.00 0.00 H new ATOM 0 HA ASN A 79 10.930 3.832 0.567 1.00 0.00 H new ATOM 0 HB2 ASN A 79 13.501 2.726 1.752 1.00 0.00 H new ATOM 0 HB3 ASN A 79 13.312 4.184 0.799 1.00 0.00 H new ATOM 0 HD21 ASN A 79 13.122 6.120 3.770 1.00 0.00 H new ATOM 0 HD22 ASN A 79 13.730 5.955 2.120 1.00 0.00 H new ATOM 1229 N ASP A 80 11.971 0.727 0.069 1.00 0.00 N ATOM 1230 CA ASP A 80 12.166 -0.279 -0.982 1.00 0.00 C ATOM 1231 C ASP A 80 10.922 -0.371 -1.856 1.00 0.00 C ATOM 1232 O ASP A 80 11.029 -0.382 -3.082 1.00 0.00 O ATOM 1233 CB ASP A 80 12.424 -1.688 -0.426 1.00 0.00 C ATOM 1234 CG ASP A 80 13.845 -1.957 0.047 1.00 0.00 C ATOM 1235 OD1 ASP A 80 14.785 -1.474 -0.622 1.00 0.00 O ATOM 1236 OD2 ASP A 80 14.015 -2.719 1.024 1.00 0.00 O ATOM 0 H ASP A 80 11.947 0.339 1.012 1.00 0.00 H new ATOM 0 HA ASP A 80 13.040 0.048 -1.546 1.00 0.00 H new ATOM 0 HB2 ASP A 80 11.744 -1.860 0.408 1.00 0.00 H new ATOM 0 HB3 ASP A 80 12.173 -2.416 -1.198 1.00 0.00 H new ATOM 1241 N LEU A 81 9.735 -0.466 -1.251 1.00 0.00 N ATOM 1242 CA LEU A 81 8.490 -0.571 -2.003 1.00 0.00 C ATOM 1243 C LEU A 81 8.272 0.709 -2.794 1.00 0.00 C ATOM 1244 O LEU A 81 8.067 0.645 -4.004 1.00 0.00 O ATOM 1245 CB LEU A 81 7.302 -0.864 -1.068 1.00 0.00 C ATOM 1246 CG LEU A 81 7.187 -2.359 -0.717 1.00 0.00 C ATOM 1247 CD1 LEU A 81 6.193 -2.560 0.427 1.00 0.00 C ATOM 1248 CD2 LEU A 81 6.737 -3.181 -1.935 1.00 0.00 C ATOM 0 H LEU A 81 9.614 -0.472 -0.238 1.00 0.00 H new ATOM 0 HA LEU A 81 8.561 -1.407 -2.699 1.00 0.00 H new ATOM 0 HB2 LEU A 81 7.414 -0.286 -0.151 1.00 0.00 H new ATOM 0 HB3 LEU A 81 6.379 -0.533 -1.543 1.00 0.00 H new ATOM 0 HG LEU A 81 8.173 -2.705 -0.408 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.122 -3.621 0.665 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.535 -2.013 1.306 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.213 -2.189 0.127 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.665 -4.233 -1.658 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.763 -2.827 -2.273 1.00 0.00 H new ATOM 0 HD23 LEU A 81 7.464 -3.067 -2.739 1.00 0.00 H new ATOM 1260 N ILE A 82 8.356 1.867 -2.140 1.00 0.00 N ATOM 1261 CA ILE A 82 8.185 3.168 -2.776 1.00 0.00 C ATOM 1262 C ILE A 82 9.209 3.366 -3.901 1.00 0.00 C ATOM 1263 O ILE A 82 8.867 3.995 -4.903 1.00 0.00 O ATOM 1264 CB ILE A 82 8.218 4.285 -1.709 1.00 0.00 C ATOM 1265 CG1 ILE A 82 6.965 4.225 -0.799 1.00 0.00 C ATOM 1266 CG2 ILE A 82 8.381 5.679 -2.337 1.00 0.00 C ATOM 1267 CD1 ILE A 82 5.662 4.735 -1.440 1.00 0.00 C ATOM 0 H ILE A 82 8.547 1.926 -1.140 1.00 0.00 H new ATOM 0 HA ILE A 82 7.206 3.217 -3.254 1.00 0.00 H new ATOM 0 HB ILE A 82 9.096 4.109 -1.088 1.00 0.00 H new ATOM 0 HG12 ILE A 82 6.815 3.193 -0.483 1.00 0.00 H new ATOM 0 HG13 ILE A 82 7.161 4.809 0.100 1.00 0.00 H new ATOM 0 HG21 ILE A 82 8.399 6.433 -1.550 1.00 0.00 H new ATOM 0 HG22 ILE A 82 9.314 5.718 -2.899 1.00 0.00 H new ATOM 0 HG23 ILE A 82 7.545 5.876 -3.008 1.00 0.00 H new ATOM 0 HD11 ILE A 82 4.846 4.651 -0.722 1.00 0.00 H new ATOM 0 HD12 ILE A 82 5.784 5.779 -1.730 1.00 0.00 H new ATOM 0 HD13 ILE A 82 5.432 4.137 -2.322 1.00 0.00 H new ATOM 1279 N ARG A 83 10.423 2.806 -3.806 1.00 0.00 N ATOM 1280 CA ARG A 83 11.391 2.852 -4.889 1.00 0.00 C ATOM 1281 C ARG A 83 10.792 2.368 -6.199 1.00 0.00 C ATOM 1282 O ARG A 83 11.080 2.970 -7.221 1.00 0.00 O ATOM 1283 CB ARG A 83 12.649 2.032 -4.560 1.00 0.00 C ATOM 1284 CG ARG A 83 13.881 2.923 -4.655 1.00 0.00 C ATOM 1285 CD ARG A 83 15.150 2.088 -4.813 1.00 0.00 C ATOM 1286 NE ARG A 83 16.337 2.947 -4.730 1.00 0.00 N ATOM 1287 CZ ARG A 83 17.612 2.557 -4.678 1.00 0.00 C ATOM 1288 NH1 ARG A 83 17.956 1.276 -4.759 1.00 0.00 N ATOM 1289 NH2 ARG A 83 18.538 3.494 -4.534 1.00 0.00 N ATOM 0 H ARG A 83 10.752 2.312 -2.976 1.00 0.00 H new ATOM 0 HA ARG A 83 11.677 3.897 -5.004 1.00 0.00 H new ATOM 0 HB2 ARG A 83 12.569 1.611 -3.558 1.00 0.00 H new ATOM 0 HB3 ARG A 83 12.740 1.194 -5.251 1.00 0.00 H new ATOM 0 HG2 ARG A 83 13.780 3.601 -5.503 1.00 0.00 H new ATOM 0 HG3 ARG A 83 13.957 3.541 -3.760 1.00 0.00 H new ATOM 0 HD2 ARG A 83 15.190 1.324 -4.036 1.00 0.00 H new ATOM 0 HD3 ARG A 83 15.135 1.568 -5.771 1.00 0.00 H new ATOM 0 HE ARG A 83 16.169 3.953 -4.710 1.00 0.00 H new ATOM 0 HH11 ARG A 83 17.237 0.560 -4.864 1.00 0.00 H new ATOM 0 HH12 ARG A 83 18.939 1.008 -4.716 1.00 0.00 H new ATOM 0 HH21 ARG A 83 18.265 4.475 -4.467 1.00 0.00 H new ATOM 0 HH22 ARG A 83 19.523 3.235 -4.490 1.00 0.00 H new ATOM 1303 N ALA A 84 9.953 1.331 -6.178 1.00 0.00 N ATOM 1304 CA ALA A 84 9.270 0.838 -7.369 1.00 0.00 C ATOM 1305 C ALA A 84 8.500 1.964 -8.066 1.00 0.00 C ATOM 1306 O ALA A 84 8.780 2.279 -9.222 1.00 0.00 O ATOM 1307 CB ALA A 84 8.412 -0.384 -7.014 1.00 0.00 C ATOM 0 H ALA A 84 9.729 0.810 -5.330 1.00 0.00 H new ATOM 0 HA ALA A 84 10.002 0.496 -8.100 1.00 0.00 H new ATOM 0 HB1 ALA A 84 7.906 -0.745 -7.909 1.00 0.00 H new ATOM 0 HB2 ALA A 84 9.050 -1.173 -6.614 1.00 0.00 H new ATOM 0 HB3 ALA A 84 7.670 -0.103 -6.266 1.00 0.00 H new ATOM 1313 N HIS A 85 7.581 2.608 -7.347 1.00 0.00 N ATOM 1314 CA HIS A 85 6.807 3.749 -7.831 1.00 0.00 C ATOM 1315 C HIS A 85 7.752 4.857 -8.319 1.00 0.00 C ATOM 1316 O HIS A 85 7.599 5.397 -9.411 1.00 0.00 O ATOM 1317 CB HIS A 85 5.872 4.212 -6.700 1.00 0.00 C ATOM 1318 CG HIS A 85 5.040 5.432 -7.007 1.00 0.00 C ATOM 1319 ND1 HIS A 85 3.693 5.485 -7.328 1.00 0.00 N ATOM 1320 CD2 HIS A 85 5.500 6.718 -6.929 1.00 0.00 C ATOM 1321 CE1 HIS A 85 3.369 6.785 -7.457 1.00 0.00 C ATOM 1322 NE2 HIS A 85 4.434 7.560 -7.212 1.00 0.00 N ATOM 0 H HIS A 85 7.349 2.344 -6.389 1.00 0.00 H new ATOM 0 HA HIS A 85 6.192 3.473 -8.688 1.00 0.00 H new ATOM 0 HB2 HIS A 85 5.202 3.391 -6.446 1.00 0.00 H new ATOM 0 HB3 HIS A 85 6.474 4.417 -5.815 1.00 0.00 H new ATOM 0 HD2 HIS A 85 6.508 7.022 -6.691 1.00 0.00 H new ATOM 0 HE1 HIS A 85 2.388 7.152 -7.721 1.00 0.00 H new ATOM 0 HE2 HIS A 85 4.457 8.580 -7.230 1.00 0.00 H new ATOM 1330 N CYS A 86 8.778 5.186 -7.539 1.00 0.00 N ATOM 1331 CA CYS A 86 9.636 6.312 -7.880 1.00 0.00 C ATOM 1332 C CYS A 86 10.555 6.022 -9.065 1.00 0.00 C ATOM 1333 O CYS A 86 10.989 6.961 -9.726 1.00 0.00 O ATOM 1334 CB CYS A 86 10.477 6.698 -6.666 1.00 0.00 C ATOM 1335 SG CYS A 86 9.381 7.214 -5.317 1.00 0.00 S ATOM 0 H CYS A 86 9.031 4.697 -6.681 1.00 0.00 H new ATOM 0 HA CYS A 86 8.984 7.134 -8.174 1.00 0.00 H new ATOM 0 HB2 CYS A 86 11.089 5.853 -6.350 1.00 0.00 H new ATOM 0 HB3 CYS A 86 11.160 7.507 -6.925 1.00 0.00 H new ATOM 0 HG CYS A 86 10.094 7.541 -4.280 1.00 0.00 H new ATOM 1341 N ALA A 87 10.869 4.761 -9.346 1.00 0.00 N ATOM 1342 CA ALA A 87 11.773 4.353 -10.416 1.00 0.00 C ATOM 1343 C ALA A 87 11.035 3.942 -11.697 1.00 0.00 C ATOM 1344 O ALA A 87 11.672 3.724 -12.731 1.00 0.00 O ATOM 1345 CB ALA A 87 12.634 3.193 -9.914 1.00 0.00 C ATOM 0 H ALA A 87 10.491 3.973 -8.821 1.00 0.00 H new ATOM 0 HA ALA A 87 12.391 5.212 -10.677 1.00 0.00 H new ATOM 0 HB1 ALA A 87 13.315 2.877 -10.704 1.00 0.00 H new ATOM 0 HB2 ALA A 87 13.209 3.516 -9.046 1.00 0.00 H new ATOM 0 HB3 ALA A 87 11.992 2.358 -9.633 1.00 0.00 H new ATOM 1351 N THR A 88 9.707 3.824 -11.640 1.00 0.00 N ATOM 1352 CA THR A 88 8.875 3.700 -12.830 1.00 0.00 C ATOM 1353 C THR A 88 8.459 5.109 -13.309 1.00 0.00 C ATOM 1354 O THR A 88 8.200 5.282 -14.498 1.00 0.00 O ATOM 1355 CB THR A 88 7.753 2.668 -12.552 1.00 0.00 C ATOM 1356 OG1 THR A 88 7.242 2.062 -13.722 1.00 0.00 O ATOM 1357 CG2 THR A 88 6.573 3.198 -11.741 1.00 0.00 C ATOM 0 H THR A 88 9.182 3.812 -10.766 1.00 0.00 H new ATOM 0 HA THR A 88 9.404 3.286 -13.689 1.00 0.00 H new ATOM 0 HB THR A 88 8.274 1.926 -11.947 1.00 0.00 H new ATOM 0 HG1 THR A 88 6.541 1.422 -13.479 1.00 0.00 H new ATOM 0 HG21 THR A 88 5.842 2.402 -11.600 1.00 0.00 H new ATOM 0 HG22 THR A 88 6.925 3.544 -10.769 1.00 0.00 H new ATOM 0 HG23 THR A 88 6.108 4.027 -12.274 1.00 0.00 H new ATOM 1365 N LEU A 89 8.496 6.144 -12.446 1.00 0.00 N ATOM 1366 CA LEU A 89 8.054 7.507 -12.787 1.00 0.00 C ATOM 1367 C LEU A 89 9.178 8.558 -12.761 1.00 0.00 C ATOM 1368 O LEU A 89 9.063 9.598 -13.413 1.00 0.00 O ATOM 1369 CB LEU A 89 6.922 7.939 -11.840 1.00 0.00 C ATOM 1370 CG LEU A 89 5.711 6.992 -11.753 1.00 0.00 C ATOM 1371 CD1 LEU A 89 4.655 7.517 -10.785 1.00 0.00 C ATOM 1372 CD2 LEU A 89 5.056 6.776 -13.120 1.00 0.00 C ATOM 0 H LEU A 89 8.836 6.055 -11.488 1.00 0.00 H new ATOM 0 HA LEU A 89 7.703 7.461 -13.818 1.00 0.00 H new ATOM 0 HB2 LEU A 89 7.338 8.056 -10.839 1.00 0.00 H new ATOM 0 HB3 LEU A 89 6.568 8.921 -12.155 1.00 0.00 H new ATOM 0 HG LEU A 89 6.099 6.041 -11.387 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.816 6.822 -10.750 1.00 0.00 H new ATOM 0 HD12 LEU A 89 5.089 7.612 -9.790 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.305 8.492 -11.123 1.00 0.00 H new ATOM 0 HD21 LEU A 89 4.206 6.102 -13.014 1.00 0.00 H new ATOM 0 HD22 LEU A 89 4.713 7.733 -13.514 1.00 0.00 H new ATOM 0 HD23 LEU A 89 5.782 6.340 -13.806 1.00 0.00 H new ATOM 1384 N GLY A 90 10.281 8.306 -12.050 1.00 0.00 N ATOM 1385 CA GLY A 90 11.484 9.137 -12.075 1.00 0.00 C ATOM 1386 C GLY A 90 11.657 10.085 -10.893 1.00 0.00 C ATOM 1387 O GLY A 90 12.376 11.075 -11.016 1.00 0.00 O ATOM 0 H GLY A 90 10.362 7.501 -11.429 1.00 0.00 H new ATOM 0 HA2 GLY A 90 12.354 8.483 -12.123 1.00 0.00 H new ATOM 0 HA3 GLY A 90 11.477 9.726 -12.992 1.00 0.00 H new ATOM 1391 N HIS A 91 10.986 9.842 -9.770 1.00 0.00 N ATOM 1392 CA HIS A 91 10.729 10.888 -8.778 1.00 0.00 C ATOM 1393 C HIS A 91 11.909 11.201 -7.850 1.00 0.00 C ATOM 1394 O HIS A 91 12.085 12.362 -7.478 1.00 0.00 O ATOM 1395 CB HIS A 91 9.485 10.519 -7.969 1.00 0.00 C ATOM 1396 CG HIS A 91 8.238 10.451 -8.813 1.00 0.00 C ATOM 1397 ND1 HIS A 91 7.991 11.155 -9.975 1.00 0.00 N ATOM 1398 CD2 HIS A 91 7.102 9.758 -8.509 1.00 0.00 C ATOM 1399 CE1 HIS A 91 6.723 10.922 -10.341 1.00 0.00 C ATOM 1400 NE2 HIS A 91 6.151 10.073 -9.478 1.00 0.00 N ATOM 0 H HIS A 91 10.608 8.928 -9.522 1.00 0.00 H new ATOM 0 HA HIS A 91 10.568 11.809 -9.338 1.00 0.00 H new ATOM 0 HB2 HIS A 91 9.644 9.555 -7.486 1.00 0.00 H new ATOM 0 HB3 HIS A 91 9.342 11.253 -7.176 1.00 0.00 H new ATOM 0 HD1 HIS A 91 8.657 11.749 -10.469 1.00 0.00 H new ATOM 0 HD2 HIS A 91 6.965 9.089 -7.672 1.00 0.00 H new ATOM 0 HE1 HIS A 91 6.236 11.354 -11.203 1.00 0.00 H new ATOM 1494 N HIS A 98 13.963 9.179 1.446 1.00 0.00 N ATOM 1495 CA HIS A 98 12.797 9.149 0.559 1.00 0.00 C ATOM 1496 C HIS A 98 11.630 9.824 1.292 1.00 0.00 C ATOM 1497 O HIS A 98 11.190 10.905 0.913 1.00 0.00 O ATOM 1498 CB HIS A 98 12.454 7.715 0.086 1.00 0.00 C ATOM 1499 CG HIS A 98 12.836 7.414 -1.347 1.00 0.00 C ATOM 1500 ND1 HIS A 98 13.859 6.592 -1.781 1.00 0.00 N ATOM 1501 CD2 HIS A 98 12.183 7.880 -2.460 1.00 0.00 C ATOM 1502 CE1 HIS A 98 13.835 6.590 -3.124 1.00 0.00 C ATOM 1503 NE2 HIS A 98 12.835 7.356 -3.582 1.00 0.00 N ATOM 0 HA HIS A 98 13.016 9.698 -0.357 1.00 0.00 H new ATOM 0 HB2 HIS A 98 12.956 7.002 0.739 1.00 0.00 H new ATOM 0 HB3 HIS A 98 11.382 7.555 0.203 1.00 0.00 H new ATOM 0 HD2 HIS A 98 11.322 8.532 -2.469 1.00 0.00 H new ATOM 0 HE1 HIS A 98 14.527 6.046 -3.749 1.00 0.00 H new ATOM 0 HE2 HIS A 98 12.596 7.524 -4.559 1.00 0.00 H new ATOM 1511 N LEU A 99 11.125 9.195 2.353 1.00 0.00 N ATOM 1512 CA LEU A 99 9.876 9.581 2.991 1.00 0.00 C ATOM 1513 C LEU A 99 10.029 9.440 4.483 1.00 0.00 C ATOM 1514 O LEU A 99 10.664 8.499 4.959 1.00 0.00 O ATOM 1515 CB LEU A 99 8.749 8.676 2.485 1.00 0.00 C ATOM 1516 CG LEU A 99 8.379 8.938 1.012 1.00 0.00 C ATOM 1517 CD1 LEU A 99 7.476 7.794 0.574 1.00 0.00 C ATOM 1518 CD2 LEU A 99 7.673 10.287 0.835 1.00 0.00 C ATOM 0 H LEU A 99 11.579 8.396 2.795 1.00 0.00 H new ATOM 0 HA LEU A 99 9.632 10.616 2.750 1.00 0.00 H new ATOM 0 HB2 LEU A 99 9.049 7.634 2.598 1.00 0.00 H new ATOM 0 HB3 LEU A 99 7.866 8.823 3.107 1.00 0.00 H new ATOM 0 HG LEU A 99 9.280 8.984 0.400 1.00 0.00 H new ATOM 0 HD11 LEU A 99 7.187 7.937 -0.467 1.00 0.00 H new ATOM 0 HD12 LEU A 99 8.010 6.849 0.676 1.00 0.00 H new ATOM 0 HD13 LEU A 99 6.583 7.775 1.199 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.429 10.435 -0.217 1.00 0.00 H new ATOM 0 HD22 LEU A 99 6.757 10.298 1.425 1.00 0.00 H new ATOM 0 HD23 LEU A 99 8.331 11.089 1.171 1.00 0.00 H new ATOM 1530 N HIS A 100 9.413 10.382 5.192 1.00 0.00 N ATOM 1531 CA HIS A 100 9.516 10.508 6.632 1.00 0.00 C ATOM 1532 C HIS A 100 8.666 9.434 7.324 1.00 0.00 C ATOM 1533 O HIS A 100 9.059 8.909 8.364 1.00 0.00 O ATOM 1534 CB HIS A 100 9.084 11.918 7.064 1.00 0.00 C ATOM 1535 CG HIS A 100 9.339 13.049 6.085 1.00 0.00 C ATOM 1536 ND1 HIS A 100 8.421 14.002 5.700 1.00 0.00 N ATOM 1537 CD2 HIS A 100 10.492 13.297 5.387 1.00 0.00 C ATOM 1538 CE1 HIS A 100 9.018 14.825 4.827 1.00 0.00 C ATOM 1539 NE2 HIS A 100 10.289 14.451 4.622 1.00 0.00 N ATOM 0 H HIS A 100 8.817 11.092 4.766 1.00 0.00 H new ATOM 0 HA HIS A 100 10.553 10.358 6.931 1.00 0.00 H new ATOM 0 HB2 HIS A 100 8.016 11.893 7.281 1.00 0.00 H new ATOM 0 HB3 HIS A 100 9.594 12.157 7.997 1.00 0.00 H new ATOM 0 HD1 HIS A 100 7.456 14.069 6.023 1.00 0.00 H new ATOM 0 HD2 HIS A 100 11.396 12.707 5.421 1.00 0.00 H new ATOM 0 HE1 HIS A 100 8.542 15.671 4.355 1.00 0.00 H new ATOM 1547 N SER A 101 7.504 9.109 6.742 1.00 0.00 N ATOM 1548 CA SER A 101 6.670 7.971 7.117 1.00 0.00 C ATOM 1549 C SER A 101 5.647 7.682 6.008 1.00 0.00 C ATOM 1550 O SER A 101 5.686 8.301 4.941 1.00 0.00 O ATOM 1551 CB SER A 101 6.009 8.172 8.499 1.00 0.00 C ATOM 1552 OG SER A 101 4.880 9.030 8.502 1.00 0.00 O ATOM 0 H SER A 101 7.110 9.651 5.973 1.00 0.00 H new ATOM 0 HA SER A 101 7.306 7.092 7.220 1.00 0.00 H new ATOM 0 HB2 SER A 101 5.708 7.199 8.887 1.00 0.00 H new ATOM 0 HB3 SER A 101 6.754 8.573 9.187 1.00 0.00 H new ATOM 0 HG SER A 101 4.524 9.099 9.413 1.00 0.00 H new ATOM 1558 N VAL A 102 4.728 6.744 6.261 1.00 0.00 N ATOM 1559 CA VAL A 102 3.637 6.382 5.360 1.00 0.00 C ATOM 1560 C VAL A 102 2.718 7.581 5.098 1.00 0.00 C ATOM 1561 O VAL A 102 2.299 7.769 3.960 1.00 0.00 O ATOM 1562 CB VAL A 102 2.858 5.185 5.946 1.00 0.00 C ATOM 1563 CG1 VAL A 102 1.675 4.766 5.061 1.00 0.00 C ATOM 1564 CG2 VAL A 102 3.774 3.968 6.156 1.00 0.00 C ATOM 0 H VAL A 102 4.726 6.202 7.125 1.00 0.00 H new ATOM 0 HA VAL A 102 4.053 6.085 4.397 1.00 0.00 H new ATOM 0 HB VAL A 102 2.471 5.524 6.907 1.00 0.00 H new ATOM 0 HG11 VAL A 102 1.161 3.921 5.518 1.00 0.00 H new ATOM 0 HG12 VAL A 102 0.982 5.601 4.961 1.00 0.00 H new ATOM 0 HG13 VAL A 102 2.042 4.478 4.076 1.00 0.00 H new ATOM 0 HG21 VAL A 102 3.194 3.143 6.570 1.00 0.00 H new ATOM 0 HG22 VAL A 102 4.203 3.667 5.201 1.00 0.00 H new ATOM 0 HG23 VAL A 102 4.575 4.231 6.847 1.00 0.00 H new ATOM 1574 N MET A 103 2.385 8.394 6.108 1.00 0.00 N ATOM 1575 CA MET A 103 1.495 9.544 5.927 1.00 0.00 C ATOM 1576 C MET A 103 2.044 10.465 4.835 1.00 0.00 C ATOM 1577 O MET A 103 1.308 10.861 3.928 1.00 0.00 O ATOM 1578 CB MET A 103 1.315 10.294 7.257 1.00 0.00 C ATOM 1579 CG MET A 103 0.289 11.440 7.189 1.00 0.00 C ATOM 1580 SD MET A 103 -1.342 11.129 7.922 1.00 0.00 S ATOM 1581 CE MET A 103 -1.973 9.830 6.832 1.00 0.00 C ATOM 0 H MET A 103 2.721 8.274 7.063 1.00 0.00 H new ATOM 0 HA MET A 103 0.514 9.192 5.609 1.00 0.00 H new ATOM 0 HB2 MET A 103 1.004 9.585 8.024 1.00 0.00 H new ATOM 0 HB3 MET A 103 2.278 10.699 7.569 1.00 0.00 H new ATOM 0 HG2 MET A 103 0.721 12.311 7.681 1.00 0.00 H new ATOM 0 HG3 MET A 103 0.145 11.704 6.141 1.00 0.00 H new ATOM 0 HE1 MET A 103 -3.055 9.757 6.941 1.00 0.00 H new ATOM 0 HE2 MET A 103 -1.728 10.072 5.798 1.00 0.00 H new ATOM 0 HE3 MET A 103 -1.516 8.877 7.099 1.00 0.00 H new ATOM 1591 N ASP A 104 3.347 10.751 4.893 1.00 0.00 N ATOM 1592 CA ASP A 104 4.023 11.592 3.912 1.00 0.00 C ATOM 1593 C ASP A 104 4.035 10.919 2.544 1.00 0.00 C ATOM 1594 O ASP A 104 3.944 11.610 1.534 1.00 0.00 O ATOM 1595 CB ASP A 104 5.472 11.894 4.326 1.00 0.00 C ATOM 1596 CG ASP A 104 5.567 12.647 5.647 1.00 0.00 C ATOM 1597 OD1 ASP A 104 5.681 11.938 6.663 1.00 0.00 O ATOM 1598 OD2 ASP A 104 5.655 13.901 5.674 1.00 0.00 O ATOM 0 H ASP A 104 3.963 10.402 5.627 1.00 0.00 H new ATOM 0 HA ASP A 104 3.468 12.529 3.861 1.00 0.00 H new ATOM 0 HB2 ASP A 104 6.024 10.958 4.407 1.00 0.00 H new ATOM 0 HB3 ASP A 104 5.953 12.481 3.544 1.00 0.00 H new ATOM 1603 N ALA A 105 4.138 9.584 2.496 1.00 0.00 N ATOM 1604 CA ALA A 105 4.062 8.818 1.252 1.00 0.00 C ATOM 1605 C ALA A 105 2.761 9.120 0.516 1.00 0.00 C ATOM 1606 O ALA A 105 2.773 9.461 -0.661 1.00 0.00 O ATOM 1607 CB ALA A 105 4.162 7.302 1.516 1.00 0.00 C ATOM 0 H ALA A 105 4.277 9.006 3.325 1.00 0.00 H new ATOM 0 HA ALA A 105 4.908 9.118 0.633 1.00 0.00 H new ATOM 0 HB1 ALA A 105 4.102 6.763 0.570 1.00 0.00 H new ATOM 0 HB2 ALA A 105 5.112 7.079 2.001 1.00 0.00 H new ATOM 0 HB3 ALA A 105 3.342 6.991 2.164 1.00 0.00 H new ATOM 1613 N ILE A 106 1.633 8.982 1.207 1.00 0.00 N ATOM 1614 CA ILE A 106 0.311 9.158 0.622 1.00 0.00 C ATOM 1615 C ILE A 106 0.165 10.591 0.087 1.00 0.00 C ATOM 1616 O ILE A 106 -0.489 10.804 -0.938 1.00 0.00 O ATOM 1617 CB ILE A 106 -0.745 8.812 1.694 1.00 0.00 C ATOM 1618 CG1 ILE A 106 -0.620 7.363 2.209 1.00 0.00 C ATOM 1619 CG2 ILE A 106 -2.188 9.063 1.241 1.00 0.00 C ATOM 1620 CD1 ILE A 106 -0.963 6.239 1.232 1.00 0.00 C ATOM 0 H ILE A 106 1.613 8.743 2.198 1.00 0.00 H new ATOM 0 HA ILE A 106 0.165 8.491 -0.227 1.00 0.00 H new ATOM 0 HB ILE A 106 -0.525 9.499 2.511 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.405 7.213 2.549 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -1.264 7.259 3.082 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -2.873 8.797 2.046 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -2.313 10.117 0.991 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -2.405 8.454 0.364 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -0.832 5.276 1.725 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -1.998 6.342 0.907 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -0.304 6.296 0.366 1.00 0.00 H new ATOM 1632 N ASP A 107 0.783 11.572 0.753 1.00 0.00 N ATOM 1633 CA ASP A 107 0.752 12.973 0.331 1.00 0.00 C ATOM 1634 C ASP A 107 1.764 13.286 -0.775 1.00 0.00 C ATOM 1635 O ASP A 107 1.539 14.211 -1.555 1.00 0.00 O ATOM 1636 CB ASP A 107 0.949 13.900 1.542 1.00 0.00 C ATOM 1637 CG ASP A 107 -0.287 14.776 1.716 1.00 0.00 C ATOM 1638 OD1 ASP A 107 -1.242 14.337 2.406 1.00 0.00 O ATOM 1639 OD2 ASP A 107 -0.389 15.828 1.048 1.00 0.00 O ATOM 0 H ASP A 107 1.321 11.414 1.605 1.00 0.00 H new ATOM 0 HA ASP A 107 -0.233 13.155 -0.099 1.00 0.00 H new ATOM 0 HB2 ASP A 107 1.119 13.309 2.442 1.00 0.00 H new ATOM 0 HB3 ASP A 107 1.832 14.522 1.398 1.00 0.00 H new ATOM 1644 N PHE A 108 2.871 12.540 -0.851 1.00 0.00 N ATOM 1645 CA PHE A 108 3.859 12.604 -1.923 1.00 0.00 C ATOM 1646 C PHE A 108 3.201 12.089 -3.202 1.00 0.00 C ATOM 1647 O PHE A 108 2.985 12.860 -4.128 1.00 0.00 O ATOM 1648 CB PHE A 108 5.125 11.811 -1.528 1.00 0.00 C ATOM 1649 CG PHE A 108 6.297 11.846 -2.504 1.00 0.00 C ATOM 1650 CD1 PHE A 108 6.808 13.073 -2.971 1.00 0.00 C ATOM 1651 CD2 PHE A 108 6.937 10.648 -2.887 1.00 0.00 C ATOM 1652 CE1 PHE A 108 7.945 13.101 -3.800 1.00 0.00 C ATOM 1653 CE2 PHE A 108 8.075 10.677 -3.714 1.00 0.00 C ATOM 1654 CZ PHE A 108 8.582 11.905 -4.171 1.00 0.00 C ATOM 0 H PHE A 108 3.109 11.850 -0.138 1.00 0.00 H new ATOM 0 HA PHE A 108 4.189 13.628 -2.098 1.00 0.00 H new ATOM 0 HB2 PHE A 108 5.474 12.187 -0.566 1.00 0.00 H new ATOM 0 HB3 PHE A 108 4.840 10.770 -1.379 1.00 0.00 H new ATOM 0 HD1 PHE A 108 6.325 13.997 -2.691 1.00 0.00 H new ATOM 0 HD2 PHE A 108 6.550 9.701 -2.542 1.00 0.00 H new ATOM 0 HE1 PHE A 108 8.330 14.047 -4.153 1.00 0.00 H new ATOM 0 HE2 PHE A 108 8.559 9.754 -3.998 1.00 0.00 H new ATOM 0 HZ PHE A 108 9.457 11.929 -4.804 1.00 0.00 H new ATOM 1664 N LEU A 109 2.835 10.803 -3.241 1.00 0.00 N ATOM 1665 CA LEU A 109 2.257 10.128 -4.390 1.00 0.00 C ATOM 1666 C LEU A 109 1.081 10.912 -4.986 1.00 0.00 C ATOM 1667 O LEU A 109 1.030 11.081 -6.199 1.00 0.00 O ATOM 1668 CB LEU A 109 1.854 8.700 -3.976 1.00 0.00 C ATOM 1669 CG LEU A 109 3.036 7.703 -3.932 1.00 0.00 C ATOM 1670 CD1 LEU A 109 4.062 7.810 -2.806 1.00 0.00 C ATOM 1671 CD2 LEU A 109 2.487 6.273 -3.890 1.00 0.00 C ATOM 0 H LEU A 109 2.941 10.186 -2.436 1.00 0.00 H new ATOM 0 HA LEU A 109 3.002 10.070 -5.183 1.00 0.00 H new ATOM 0 HB2 LEU A 109 1.385 8.736 -2.993 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.104 8.328 -4.674 1.00 0.00 H new ATOM 0 HG LEU A 109 3.587 7.971 -4.833 1.00 0.00 H new ATOM 0 HD11 LEU A 109 4.819 7.036 -2.929 1.00 0.00 H new ATOM 0 HD12 LEU A 109 4.537 8.791 -2.838 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.563 7.680 -1.846 1.00 0.00 H new ATOM 0 HD21 LEU A 109 3.316 5.566 -3.859 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.869 6.147 -3.001 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.885 6.088 -4.780 1.00 0.00 H new ATOM 1683 N ASN A 110 0.144 11.408 -4.166 1.00 0.00 N ATOM 1684 CA ASN A 110 -1.012 12.152 -4.689 1.00 0.00 C ATOM 1685 C ASN A 110 -0.638 13.517 -5.264 1.00 0.00 C ATOM 1686 O ASN A 110 -1.442 14.121 -5.974 1.00 0.00 O ATOM 1687 CB ASN A 110 -2.074 12.373 -3.599 1.00 0.00 C ATOM 1688 CG ASN A 110 -3.283 11.486 -3.802 1.00 0.00 C ATOM 1689 OD1 ASN A 110 -4.131 11.746 -4.649 1.00 0.00 O ATOM 1690 ND2 ASN A 110 -3.401 10.438 -3.009 1.00 0.00 N ATOM 0 H ASN A 110 0.162 11.310 -3.151 1.00 0.00 H new ATOM 0 HA ASN A 110 -1.409 11.532 -5.492 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -1.637 12.173 -2.621 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -2.385 13.418 -3.602 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -4.211 9.824 -3.093 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -2.682 10.242 -2.312 1.00 0.00 H new ATOM 1697 N ALA A 111 0.517 14.070 -4.899 1.00 0.00 N ATOM 1698 CA ALA A 111 0.985 15.362 -5.381 1.00 0.00 C ATOM 1699 C ALA A 111 1.886 15.211 -6.607 1.00 0.00 C ATOM 1700 O ALA A 111 2.074 16.177 -7.349 1.00 0.00 O ATOM 1701 CB ALA A 111 1.730 16.042 -4.240 1.00 0.00 C ATOM 0 H ALA A 111 1.163 13.623 -4.249 1.00 0.00 H new ATOM 0 HA ALA A 111 0.135 15.968 -5.694 1.00 0.00 H new ATOM 0 HB1 ALA A 111 2.094 17.015 -4.571 1.00 0.00 H new ATOM 0 HB2 ALA A 111 1.056 16.176 -3.394 1.00 0.00 H new ATOM 0 HB3 ALA A 111 2.574 15.423 -3.937 1.00 0.00 H new ATOM 1707 N LEU A 112 2.437 14.015 -6.824 1.00 0.00 N ATOM 1708 CA LEU A 112 3.270 13.691 -7.968 1.00 0.00 C ATOM 1709 C LEU A 112 2.413 13.615 -9.224 1.00 0.00 C ATOM 1710 O LEU A 112 2.691 14.325 -10.188 1.00 0.00 O ATOM 1711 CB LEU A 112 4.002 12.366 -7.707 1.00 0.00 C ATOM 1712 CG LEU A 112 5.124 12.497 -6.659 1.00 0.00 C ATOM 1713 CD1 LEU A 112 5.506 11.123 -6.097 1.00 0.00 C ATOM 1714 CD2 LEU A 112 6.339 13.218 -7.246 1.00 0.00 C ATOM 0 H LEU A 112 2.308 13.228 -6.187 1.00 0.00 H new ATOM 0 HA LEU A 112 4.017 14.471 -8.118 1.00 0.00 H new ATOM 0 HB2 LEU A 112 3.283 11.620 -7.370 1.00 0.00 H new ATOM 0 HB3 LEU A 112 4.426 12.001 -8.642 1.00 0.00 H new ATOM 0 HG LEU A 112 4.750 13.102 -5.833 1.00 0.00 H new ATOM 0 HD11 LEU A 112 6.300 11.240 -5.359 1.00 0.00 H new ATOM 0 HD12 LEU A 112 4.635 10.668 -5.625 1.00 0.00 H new ATOM 0 HD13 LEU A 112 5.855 10.483 -6.907 1.00 0.00 H new ATOM 0 HD21 LEU A 112 7.117 13.298 -6.487 1.00 0.00 H new ATOM 0 HD22 LEU A 112 6.720 12.655 -8.098 1.00 0.00 H new ATOM 0 HD23 LEU A 112 6.047 14.216 -7.573 1.00 0.00 H new