USER MOD reduce.3.24.130724 H: found=0, std=0, add=1026, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1023 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 74 HIS : no HD1:sc= -0.47 K(o=0.14,f=-0.72) USER MOD Set 1.2: A 77 LYS NZ :NH3+ -163:sc= 0.605 (180deg=0.501) USER MOD Set 2.1: A 69 THR OG1 : rot -81:sc= -2.47! USER MOD Set 2.2: A 72 GLN : amide:sc=-0.00758 K(o=-2.5,f=-1.9!) USER MOD Set 3.1: A 39 THR OG1 : rot -101:sc= -0.0479 USER MOD Set 3.2: A 40 THR OG1 : rot -140:sc= -2.16! USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.198 X(o=-0.2,f=-0.69) USER MOD Single : A 12 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0725) USER MOD Single : A 13 THR OG1 : rot 140:sc= -0.0602 USER MOD Single : A 15 ASN : amide:sc= -0.695 K(o=-0.7,f=-2.8!) USER MOD Single : A 16 SER OG : rot -61:sc= -0.792 USER MOD Single : A 18 THR OG1 : rot 44:sc= -4.14! USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 21 LYS NZ :NH3+ -110:sc= -5.38! (180deg=-10.1!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -162:sc= -0.0555 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0283 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -0.452 X(o=-0.45,f=-0.49) USER MOD Single : A 42 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.252) USER MOD Single : A 44 THR OG1 : rot -173:sc= -1.13! USER MOD Single : A 50 THR OG1 : rot -80:sc= -2.14 USER MOD Single : A 54 GLN : amide:sc= -0.0551 K(o=-0.055,f=-1.9!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HD1:sc= -0.0147 X(o=-0.015,f=6.3e-05) USER MOD Single : A 59 HIS : no HE2:sc= -6.88! C(o=-6.9!,f=-13!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.146 USER MOD Single : A 71 GLN : amide:sc= -1.75! K(o=-1.8!,f=-0.49) USER MOD Single : A 76 HIS : no HE2:sc= -6.18! C(o=-6.2!,f=-9.1!) USER MOD Single : A 78 GLN : amide:sc= -0.394 K(o=-0.39,f=-2) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -0.166 X(o=-0.17,f=-0.012) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 SER OG : rot -69:sc= 0.561 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -0.0242 X(o=-0.024,f=-0.045) USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 SER OG : rot 180:sc= 0.0135 USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.314 USER MOD Single : A 111 ASN : amide:sc=-0.000398 X(o=-0.0004,f=-0.0004) USER MOD Single : A 117 LYS NZ :NH3+ -147:sc= -2.66! (180deg=-2.76!) USER MOD Single : A 118 THR OG1 : rot 91:sc= 0.612 USER MOD Single : A 120 MET CE :methyl -137:sc= -6.47! (180deg=-11.9!) USER MOD Single : A 123 LYS NZ :NH3+ 146:sc= 0.0524 (180deg=0) USER MOD Single : A 124 TYR OH : rot 180:sc= -0.932 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 52 N ASP A 4 13.447 5.584 -26.588 1.00 0.00 N ATOM 53 CA ASP A 4 12.461 6.691 -26.721 1.00 0.00 C ATOM 54 C ASP A 4 13.056 7.987 -26.169 1.00 0.00 C ATOM 55 O ASP A 4 14.065 7.988 -25.491 1.00 0.00 O ATOM 56 CB ASP A 4 11.201 6.344 -25.933 1.00 0.00 C ATOM 57 CG ASP A 4 9.987 6.996 -26.595 1.00 0.00 C ATOM 58 OD1 ASP A 4 9.814 6.807 -27.788 1.00 0.00 O ATOM 59 OD2 ASP A 4 9.250 7.676 -25.900 1.00 0.00 O ATOM 0 HA ASP A 4 12.215 6.826 -27.774 1.00 0.00 H new ATOM 0 HB2 ASP A 4 11.070 5.263 -25.895 1.00 0.00 H new ATOM 0 HB3 ASP A 4 11.296 6.690 -24.904 1.00 0.00 H new ATOM 64 N ILE A 5 12.434 9.094 -26.462 1.00 0.00 N ATOM 65 CA ILE A 5 12.946 10.403 -25.966 1.00 0.00 C ATOM 66 C ILE A 5 12.720 10.524 -24.453 1.00 0.00 C ATOM 67 O ILE A 5 13.460 11.195 -23.761 1.00 0.00 O ATOM 68 CB ILE A 5 12.211 11.539 -26.684 1.00 0.00 C ATOM 69 CG1 ILE A 5 12.713 11.635 -28.127 1.00 0.00 C ATOM 70 CG2 ILE A 5 12.479 12.863 -25.966 1.00 0.00 C ATOM 71 CD1 ILE A 5 14.216 11.923 -28.125 1.00 0.00 C ATOM 0 H ILE A 5 11.587 9.149 -27.028 1.00 0.00 H new ATOM 0 HA ILE A 5 14.015 10.467 -26.169 1.00 0.00 H new ATOM 0 HB ILE A 5 11.140 11.336 -26.679 1.00 0.00 H new ATOM 0 HG12 ILE A 5 12.511 10.704 -28.657 1.00 0.00 H new ATOM 0 HG13 ILE A 5 12.181 12.425 -28.657 1.00 0.00 H new ATOM 0 HG21 ILE A 5 11.954 13.668 -26.480 1.00 0.00 H new ATOM 0 HG22 ILE A 5 12.124 12.797 -24.937 1.00 0.00 H new ATOM 0 HG23 ILE A 5 13.550 13.068 -25.968 1.00 0.00 H new ATOM 0 HD11 ILE A 5 14.575 11.992 -29.152 1.00 0.00 H new ATOM 0 HD12 ILE A 5 14.405 12.865 -27.611 1.00 0.00 H new ATOM 0 HD13 ILE A 5 14.740 11.117 -27.611 1.00 0.00 H new ATOM 83 N THR A 6 11.696 9.898 -23.936 1.00 0.00 N ATOM 84 CA THR A 6 11.421 10.007 -22.473 1.00 0.00 C ATOM 85 C THR A 6 12.676 9.640 -21.681 1.00 0.00 C ATOM 86 O THR A 6 13.100 10.367 -20.806 1.00 0.00 O ATOM 87 CB THR A 6 10.285 9.053 -22.097 1.00 0.00 C ATOM 88 OG1 THR A 6 9.111 9.414 -22.810 1.00 0.00 O ATOM 89 CG2 THR A 6 10.020 9.140 -20.594 1.00 0.00 C ATOM 0 H THR A 6 11.041 9.318 -24.461 1.00 0.00 H new ATOM 0 HA THR A 6 11.133 11.031 -22.236 1.00 0.00 H new ATOM 0 HB THR A 6 10.567 8.032 -22.354 1.00 0.00 H new ATOM 0 HG1 THR A 6 8.383 8.803 -22.572 1.00 0.00 H new ATOM 0 HG21 THR A 6 9.211 8.460 -20.327 1.00 0.00 H new ATOM 0 HG22 THR A 6 10.922 8.862 -20.049 1.00 0.00 H new ATOM 0 HG23 THR A 6 9.738 10.160 -20.333 1.00 0.00 H new ATOM 97 N LEU A 7 13.269 8.518 -21.970 1.00 0.00 N ATOM 98 CA LEU A 7 14.485 8.119 -21.222 1.00 0.00 C ATOM 99 C LEU A 7 15.609 9.123 -21.476 1.00 0.00 C ATOM 100 O LEU A 7 16.218 9.621 -20.552 1.00 0.00 O ATOM 101 CB LEU A 7 14.963 6.709 -21.614 1.00 0.00 C ATOM 102 CG LEU A 7 14.878 6.409 -23.121 1.00 0.00 C ATOM 103 CD1 LEU A 7 15.817 5.245 -23.434 1.00 0.00 C ATOM 104 CD2 LEU A 7 13.452 5.992 -23.499 1.00 0.00 C ATOM 0 H LEU A 7 12.964 7.863 -22.690 1.00 0.00 H new ATOM 0 HA LEU A 7 14.227 8.107 -20.163 1.00 0.00 H new ATOM 0 HB2 LEU A 7 15.996 6.584 -21.288 1.00 0.00 H new ATOM 0 HB3 LEU A 7 14.367 5.973 -21.074 1.00 0.00 H new ATOM 0 HG LEU A 7 15.155 7.301 -23.682 1.00 0.00 H new ATOM 0 HD11 LEU A 7 15.771 5.017 -24.499 1.00 0.00 H new ATOM 0 HD12 LEU A 7 16.837 5.518 -23.165 1.00 0.00 H new ATOM 0 HD13 LEU A 7 15.513 4.369 -22.862 1.00 0.00 H new ATOM 0 HD21 LEU A 7 13.405 5.783 -24.568 1.00 0.00 H new ATOM 0 HD22 LEU A 7 13.175 5.097 -22.941 1.00 0.00 H new ATOM 0 HD23 LEU A 7 12.761 6.799 -23.257 1.00 0.00 H new ATOM 116 N GLN A 8 15.896 9.439 -22.708 1.00 0.00 N ATOM 117 CA GLN A 8 16.985 10.419 -22.963 1.00 0.00 C ATOM 118 C GLN A 8 16.757 11.632 -22.074 1.00 0.00 C ATOM 119 O GLN A 8 17.681 12.284 -21.628 1.00 0.00 O ATOM 120 CB GLN A 8 16.976 10.840 -24.434 1.00 0.00 C ATOM 121 CG GLN A 8 17.738 9.805 -25.264 1.00 0.00 C ATOM 122 CD GLN A 8 17.360 9.953 -26.739 1.00 0.00 C ATOM 123 OE1 GLN A 8 16.380 9.388 -27.186 1.00 0.00 O ATOM 124 NE2 GLN A 8 18.098 10.695 -27.519 1.00 0.00 N ATOM 0 H GLN A 8 15.432 9.067 -23.537 1.00 0.00 H new ATOM 0 HA GLN A 8 17.952 9.969 -22.739 1.00 0.00 H new ATOM 0 HB2 GLN A 8 15.950 10.926 -24.793 1.00 0.00 H new ATOM 0 HB3 GLN A 8 17.436 11.822 -24.545 1.00 0.00 H new ATOM 0 HG2 GLN A 8 18.812 9.942 -25.138 1.00 0.00 H new ATOM 0 HG3 GLN A 8 17.502 8.799 -24.916 1.00 0.00 H new ATOM 0 HE21 GLN A 8 18.920 11.169 -27.144 1.00 0.00 H new ATOM 0 HE22 GLN A 8 17.853 10.801 -28.503 1.00 0.00 H new ATOM 133 N GLU A 9 15.527 11.913 -21.795 1.00 0.00 N ATOM 134 CA GLU A 9 15.195 13.060 -20.907 1.00 0.00 C ATOM 135 C GLU A 9 15.612 12.709 -19.475 1.00 0.00 C ATOM 136 O GLU A 9 16.255 13.482 -18.793 1.00 0.00 O ATOM 137 CB GLU A 9 13.689 13.327 -20.953 1.00 0.00 C ATOM 138 CG GLU A 9 13.397 14.419 -21.985 1.00 0.00 C ATOM 139 CD GLU A 9 11.927 14.342 -22.407 1.00 0.00 C ATOM 140 OE1 GLU A 9 11.384 13.250 -22.392 1.00 0.00 O ATOM 141 OE2 GLU A 9 11.372 15.376 -22.737 1.00 0.00 O ATOM 0 H GLU A 9 14.722 11.394 -22.146 1.00 0.00 H new ATOM 0 HA GLU A 9 15.724 13.953 -21.240 1.00 0.00 H new ATOM 0 HB2 GLU A 9 13.154 12.413 -21.213 1.00 0.00 H new ATOM 0 HB3 GLU A 9 13.333 13.636 -19.970 1.00 0.00 H new ATOM 0 HG2 GLU A 9 13.615 15.400 -21.563 1.00 0.00 H new ATOM 0 HG3 GLU A 9 14.043 14.295 -22.854 1.00 0.00 H new ATOM 148 N ILE A 10 15.242 11.542 -19.017 1.00 0.00 N ATOM 149 CA ILE A 10 15.604 11.117 -17.639 1.00 0.00 C ATOM 150 C ILE A 10 17.101 11.329 -17.405 1.00 0.00 C ATOM 151 O ILE A 10 17.519 11.666 -16.323 1.00 0.00 O ATOM 152 CB ILE A 10 15.231 9.632 -17.470 1.00 0.00 C ATOM 153 CG1 ILE A 10 14.829 9.361 -16.024 1.00 0.00 C ATOM 154 CG2 ILE A 10 16.410 8.724 -17.843 1.00 0.00 C ATOM 155 CD1 ILE A 10 13.417 8.775 -16.009 1.00 0.00 C ATOM 0 H ILE A 10 14.699 10.860 -19.547 1.00 0.00 H new ATOM 0 HA ILE A 10 15.060 11.713 -16.906 1.00 0.00 H new ATOM 0 HB ILE A 10 14.396 9.415 -18.136 1.00 0.00 H new ATOM 0 HG12 ILE A 10 15.531 8.668 -15.560 1.00 0.00 H new ATOM 0 HG13 ILE A 10 14.862 10.283 -15.444 1.00 0.00 H new ATOM 0 HG21 ILE A 10 16.121 7.681 -17.715 1.00 0.00 H new ATOM 0 HG22 ILE A 10 16.689 8.898 -18.882 1.00 0.00 H new ATOM 0 HG23 ILE A 10 17.259 8.947 -17.197 1.00 0.00 H new ATOM 0 HD11 ILE A 10 13.116 8.576 -14.980 1.00 0.00 H new ATOM 0 HD12 ILE A 10 12.723 9.485 -16.459 1.00 0.00 H new ATOM 0 HD13 ILE A 10 13.403 7.845 -16.577 1.00 0.00 H new ATOM 167 N ILE A 11 17.913 11.134 -18.406 1.00 0.00 N ATOM 168 CA ILE A 11 19.373 11.334 -18.211 1.00 0.00 C ATOM 169 C ILE A 11 19.638 12.819 -17.985 1.00 0.00 C ATOM 170 O ILE A 11 20.469 13.195 -17.186 1.00 0.00 O ATOM 171 CB ILE A 11 20.127 10.862 -19.453 1.00 0.00 C ATOM 172 CG1 ILE A 11 19.600 9.475 -19.870 1.00 0.00 C ATOM 173 CG2 ILE A 11 21.631 10.813 -19.155 1.00 0.00 C ATOM 174 CD1 ILE A 11 20.498 8.355 -19.326 1.00 0.00 C ATOM 0 H ILE A 11 17.631 10.847 -19.343 1.00 0.00 H new ATOM 0 HA ILE A 11 19.714 10.760 -17.349 1.00 0.00 H new ATOM 0 HB ILE A 11 19.965 11.558 -20.276 1.00 0.00 H new ATOM 0 HG12 ILE A 11 18.584 9.342 -19.499 1.00 0.00 H new ATOM 0 HG13 ILE A 11 19.554 9.412 -20.957 1.00 0.00 H new ATOM 0 HG21 ILE A 11 22.167 10.476 -20.042 1.00 0.00 H new ATOM 0 HG22 ILE A 11 21.979 11.808 -18.877 1.00 0.00 H new ATOM 0 HG23 ILE A 11 21.817 10.120 -18.334 1.00 0.00 H new ATOM 0 HD11 ILE A 11 20.102 7.388 -19.636 1.00 0.00 H new ATOM 0 HD12 ILE A 11 21.508 8.476 -19.718 1.00 0.00 H new ATOM 0 HD13 ILE A 11 20.523 8.405 -18.237 1.00 0.00 H new ATOM 186 N LYS A 12 18.933 13.663 -18.679 1.00 0.00 N ATOM 187 CA LYS A 12 19.137 15.124 -18.495 1.00 0.00 C ATOM 188 C LYS A 12 18.799 15.504 -17.051 1.00 0.00 C ATOM 189 O LYS A 12 19.465 16.320 -16.445 1.00 0.00 O ATOM 190 CB LYS A 12 18.221 15.892 -19.451 1.00 0.00 C ATOM 191 CG LYS A 12 18.811 17.278 -19.718 1.00 0.00 C ATOM 192 CD LYS A 12 18.855 17.534 -21.226 1.00 0.00 C ATOM 193 CE LYS A 12 18.788 19.038 -21.493 1.00 0.00 C ATOM 194 NZ LYS A 12 19.998 19.697 -20.925 1.00 0.00 N ATOM 0 H LYS A 12 18.224 13.405 -19.366 1.00 0.00 H new ATOM 0 HA LYS A 12 20.176 15.377 -18.707 1.00 0.00 H new ATOM 0 HB2 LYS A 12 18.113 15.344 -20.387 1.00 0.00 H new ATOM 0 HB3 LYS A 12 17.224 15.986 -19.020 1.00 0.00 H new ATOM 0 HG2 LYS A 12 18.209 18.042 -19.226 1.00 0.00 H new ATOM 0 HG3 LYS A 12 19.815 17.344 -19.298 1.00 0.00 H new ATOM 0 HD2 LYS A 12 19.770 17.120 -21.649 1.00 0.00 H new ATOM 0 HD3 LYS A 12 18.021 17.030 -21.715 1.00 0.00 H new ATOM 0 HE2 LYS A 12 18.728 19.226 -22.565 1.00 0.00 H new ATOM 0 HE3 LYS A 12 17.888 19.458 -21.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 20.058 20.674 -21.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 19.934 19.705 -19.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 20.848 19.172 -21.215 1.00 0.00 H new ATOM 208 N THR A 13 17.767 14.925 -16.490 1.00 0.00 N ATOM 209 CA THR A 13 17.399 15.269 -15.087 1.00 0.00 C ATOM 210 C THR A 13 18.439 14.705 -14.117 1.00 0.00 C ATOM 211 O THR A 13 18.943 15.402 -13.261 1.00 0.00 O ATOM 212 CB THR A 13 16.025 14.676 -14.763 1.00 0.00 C ATOM 213 OG1 THR A 13 15.030 15.355 -15.514 1.00 0.00 O ATOM 214 CG2 THR A 13 15.740 14.837 -13.269 1.00 0.00 C ATOM 0 H THR A 13 17.168 14.234 -16.941 1.00 0.00 H new ATOM 0 HA THR A 13 17.367 16.353 -14.982 1.00 0.00 H new ATOM 0 HB THR A 13 16.014 13.617 -15.021 1.00 0.00 H new ATOM 0 HG1 THR A 13 14.368 14.709 -15.839 1.00 0.00 H new ATOM 0 HG21 THR A 13 14.762 14.415 -13.038 1.00 0.00 H new ATOM 0 HG22 THR A 13 16.505 14.315 -12.694 1.00 0.00 H new ATOM 0 HG23 THR A 13 15.749 15.895 -13.009 1.00 0.00 H new ATOM 222 N LEU A 14 18.763 13.449 -14.243 1.00 0.00 N ATOM 223 CA LEU A 14 19.768 12.841 -13.327 1.00 0.00 C ATOM 224 C LEU A 14 21.092 13.598 -13.453 1.00 0.00 C ATOM 225 O LEU A 14 21.868 13.675 -12.522 1.00 0.00 O ATOM 226 CB LEU A 14 19.969 11.369 -13.703 1.00 0.00 C ATOM 227 CG LEU A 14 18.865 10.516 -13.062 1.00 0.00 C ATOM 228 CD1 LEU A 14 17.508 11.200 -13.248 1.00 0.00 C ATOM 229 CD2 LEU A 14 18.831 9.135 -13.726 1.00 0.00 C ATOM 0 H LEU A 14 18.375 12.816 -14.942 1.00 0.00 H new ATOM 0 HA LEU A 14 19.417 12.904 -12.297 1.00 0.00 H new ATOM 0 HB2 LEU A 14 19.948 11.254 -14.787 1.00 0.00 H new ATOM 0 HB3 LEU A 14 20.948 11.028 -13.366 1.00 0.00 H new ATOM 0 HG LEU A 14 19.072 10.405 -11.998 1.00 0.00 H new ATOM 0 HD11 LEU A 14 16.728 10.591 -12.791 1.00 0.00 H new ATOM 0 HD12 LEU A 14 17.527 12.181 -12.773 1.00 0.00 H new ATOM 0 HD13 LEU A 14 17.302 11.316 -14.312 1.00 0.00 H new ATOM 0 HD21 LEU A 14 18.047 8.531 -13.270 1.00 0.00 H new ATOM 0 HD22 LEU A 14 18.628 9.248 -14.791 1.00 0.00 H new ATOM 0 HD23 LEU A 14 19.794 8.642 -13.590 1.00 0.00 H new ATOM 241 N ASN A 15 21.354 14.154 -14.605 1.00 0.00 N ATOM 242 CA ASN A 15 22.624 14.905 -14.807 1.00 0.00 C ATOM 243 C ASN A 15 22.588 16.223 -14.006 1.00 0.00 C ATOM 244 O ASN A 15 23.516 16.535 -13.286 1.00 0.00 O ATOM 245 CB ASN A 15 22.786 15.228 -16.295 1.00 0.00 C ATOM 246 CG ASN A 15 24.112 15.957 -16.517 1.00 0.00 C ATOM 247 OD1 ASN A 15 24.299 17.062 -16.046 1.00 0.00 O ATOM 248 ND2 ASN A 15 25.050 15.382 -17.221 1.00 0.00 N ATOM 0 H ASN A 15 20.739 14.119 -15.418 1.00 0.00 H new ATOM 0 HA ASN A 15 23.460 14.296 -14.463 1.00 0.00 H new ATOM 0 HB2 ASN A 15 22.761 14.310 -16.882 1.00 0.00 H new ATOM 0 HB3 ASN A 15 21.957 15.848 -16.636 1.00 0.00 H new ATOM 0 HD21 ASN A 15 25.938 15.860 -17.375 1.00 0.00 H new ATOM 0 HD22 ASN A 15 24.895 14.455 -17.617 1.00 0.00 H new ATOM 255 N SER A 16 21.534 17.015 -14.124 1.00 0.00 N ATOM 256 CA SER A 16 21.491 18.298 -13.366 1.00 0.00 C ATOM 257 C SER A 16 21.621 18.029 -11.864 1.00 0.00 C ATOM 258 O SER A 16 22.398 18.663 -11.179 1.00 0.00 O ATOM 259 CB SER A 16 20.163 19.006 -13.641 1.00 0.00 C ATOM 260 OG SER A 16 19.127 18.373 -12.904 1.00 0.00 O ATOM 0 H SER A 16 20.719 16.823 -14.706 1.00 0.00 H new ATOM 0 HA SER A 16 22.320 18.928 -13.688 1.00 0.00 H new ATOM 0 HB2 SER A 16 20.234 20.057 -13.360 1.00 0.00 H new ATOM 0 HB3 SER A 16 19.936 18.976 -14.707 1.00 0.00 H new ATOM 0 HG SER A 16 19.047 17.439 -13.188 1.00 0.00 H new ATOM 266 N LEU A 17 20.858 17.109 -11.344 1.00 0.00 N ATOM 267 CA LEU A 17 20.933 16.820 -9.882 1.00 0.00 C ATOM 268 C LEU A 17 22.287 16.197 -9.529 1.00 0.00 C ATOM 269 O LEU A 17 22.784 16.360 -8.434 1.00 0.00 O ATOM 270 CB LEU A 17 19.809 15.856 -9.488 1.00 0.00 C ATOM 271 CG LEU A 17 18.522 16.233 -10.232 1.00 0.00 C ATOM 272 CD1 LEU A 17 17.330 15.510 -9.597 1.00 0.00 C ATOM 273 CD2 LEU A 17 18.303 17.746 -10.142 1.00 0.00 C ATOM 0 H LEU A 17 20.187 16.545 -11.865 1.00 0.00 H new ATOM 0 HA LEU A 17 20.822 17.756 -9.335 1.00 0.00 H new ATOM 0 HB2 LEU A 17 20.094 14.832 -9.729 1.00 0.00 H new ATOM 0 HB3 LEU A 17 19.643 15.896 -8.411 1.00 0.00 H new ATOM 0 HG LEU A 17 18.611 15.938 -11.278 1.00 0.00 H new ATOM 0 HD11 LEU A 17 16.417 15.779 -10.127 1.00 0.00 H new ATOM 0 HD12 LEU A 17 17.482 14.433 -9.660 1.00 0.00 H new ATOM 0 HD13 LEU A 17 17.242 15.803 -8.551 1.00 0.00 H new ATOM 0 HD21 LEU A 17 17.388 18.013 -10.671 1.00 0.00 H new ATOM 0 HD22 LEU A 17 18.216 18.039 -9.096 1.00 0.00 H new ATOM 0 HD23 LEU A 17 19.149 18.264 -10.595 1.00 0.00 H new ATOM 285 N THR A 18 22.891 15.477 -10.436 1.00 0.00 N ATOM 286 CA THR A 18 24.206 14.851 -10.113 1.00 0.00 C ATOM 287 C THR A 18 25.245 15.935 -9.858 1.00 0.00 C ATOM 288 O THR A 18 25.989 15.893 -8.900 1.00 0.00 O ATOM 289 CB THR A 18 24.660 13.962 -11.274 1.00 0.00 C ATOM 290 OG1 THR A 18 24.075 14.429 -12.481 1.00 0.00 O ATOM 291 CG2 THR A 18 24.221 12.520 -11.016 1.00 0.00 C ATOM 0 H THR A 18 22.537 15.297 -11.375 1.00 0.00 H new ATOM 0 HA THR A 18 24.098 14.240 -9.217 1.00 0.00 H new ATOM 0 HB THR A 18 25.746 13.999 -11.358 1.00 0.00 H new ATOM 0 HG1 THR A 18 24.141 15.406 -12.520 1.00 0.00 H new ATOM 0 HG21 THR A 18 24.544 11.888 -11.843 1.00 0.00 H new ATOM 0 HG22 THR A 18 24.670 12.163 -10.089 1.00 0.00 H new ATOM 0 HG23 THR A 18 23.135 12.480 -10.932 1.00 0.00 H new ATOM 299 N GLU A 19 25.287 16.905 -10.707 1.00 0.00 N ATOM 300 CA GLU A 19 26.266 18.014 -10.530 1.00 0.00 C ATOM 301 C GLU A 19 26.011 18.680 -9.186 1.00 0.00 C ATOM 302 O GLU A 19 26.901 19.197 -8.541 1.00 0.00 O ATOM 303 CB GLU A 19 26.103 19.037 -11.655 1.00 0.00 C ATOM 304 CG GLU A 19 27.279 20.017 -11.631 1.00 0.00 C ATOM 305 CD GLU A 19 27.504 20.580 -13.034 1.00 0.00 C ATOM 306 OE1 GLU A 19 26.670 20.336 -13.891 1.00 0.00 O ATOM 307 OE2 GLU A 19 28.508 21.245 -13.231 1.00 0.00 O ATOM 0 H GLU A 19 24.684 16.986 -11.526 1.00 0.00 H new ATOM 0 HA GLU A 19 27.281 17.619 -10.562 1.00 0.00 H new ATOM 0 HB2 GLU A 19 26.059 18.529 -12.619 1.00 0.00 H new ATOM 0 HB3 GLU A 19 25.164 19.577 -11.536 1.00 0.00 H new ATOM 0 HG2 GLU A 19 27.076 20.827 -10.931 1.00 0.00 H new ATOM 0 HG3 GLU A 19 28.180 19.512 -11.282 1.00 0.00 H new ATOM 314 N GLN A 20 24.790 18.646 -8.766 1.00 0.00 N ATOM 315 CA GLN A 20 24.414 19.251 -7.456 1.00 0.00 C ATOM 316 C GLN A 20 23.333 18.384 -6.809 1.00 0.00 C ATOM 317 O GLN A 20 22.222 18.300 -7.295 1.00 0.00 O ATOM 318 CB GLN A 20 23.874 20.665 -7.680 1.00 0.00 C ATOM 319 CG GLN A 20 24.838 21.444 -8.578 1.00 0.00 C ATOM 320 CD GLN A 20 24.545 22.941 -8.464 1.00 0.00 C ATOM 321 OE1 GLN A 20 24.575 23.497 -7.385 1.00 0.00 O ATOM 322 NE2 GLN A 20 24.261 23.621 -9.541 1.00 0.00 N ATOM 0 H GLN A 20 24.017 18.219 -9.277 1.00 0.00 H new ATOM 0 HA GLN A 20 25.287 19.303 -6.805 1.00 0.00 H new ATOM 0 HB2 GLN A 20 22.887 20.620 -8.141 1.00 0.00 H new ATOM 0 HB3 GLN A 20 23.757 21.176 -6.725 1.00 0.00 H new ATOM 0 HG2 GLN A 20 25.868 21.241 -8.286 1.00 0.00 H new ATOM 0 HG3 GLN A 20 24.730 21.119 -9.613 1.00 0.00 H new ATOM 0 HE21 GLN A 20 24.236 23.154 -10.447 1.00 0.00 H new ATOM 0 HE22 GLN A 20 24.064 24.620 -9.476 1.00 0.00 H new ATOM 331 N LYS A 21 23.642 17.728 -5.720 1.00 0.00 N ATOM 332 CA LYS A 21 22.621 16.863 -5.069 1.00 0.00 C ATOM 333 C LYS A 21 22.764 16.947 -3.551 1.00 0.00 C ATOM 334 O LYS A 21 22.998 15.959 -2.885 1.00 0.00 O ATOM 335 CB LYS A 21 22.825 15.414 -5.518 1.00 0.00 C ATOM 336 CG LYS A 21 21.618 14.577 -5.091 1.00 0.00 C ATOM 337 CD LYS A 21 20.628 14.477 -6.255 1.00 0.00 C ATOM 338 CE LYS A 21 19.229 14.861 -5.768 1.00 0.00 C ATOM 339 NZ LYS A 21 18.268 14.778 -6.904 1.00 0.00 N ATOM 0 H LYS A 21 24.551 17.755 -5.258 1.00 0.00 H new ATOM 0 HA LYS A 21 21.625 17.201 -5.356 1.00 0.00 H new ATOM 0 HB2 LYS A 21 22.947 15.371 -6.600 1.00 0.00 H new ATOM 0 HB3 LYS A 21 23.736 15.010 -5.078 1.00 0.00 H new ATOM 0 HG2 LYS A 21 21.941 13.581 -4.788 1.00 0.00 H new ATOM 0 HG3 LYS A 21 21.134 15.032 -4.226 1.00 0.00 H new ATOM 0 HD2 LYS A 21 20.936 15.136 -7.066 1.00 0.00 H new ATOM 0 HD3 LYS A 21 20.620 13.463 -6.654 1.00 0.00 H new ATOM 0 HE2 LYS A 21 18.917 14.195 -4.964 1.00 0.00 H new ATOM 0 HE3 LYS A 21 19.239 15.871 -5.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 17.965 15.736 -7.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 18.729 14.320 -7.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 17.438 14.220 -6.617 1.00 0.00 H new ATOM 353 N THR A 22 22.618 18.117 -2.996 1.00 0.00 N ATOM 354 CA THR A 22 22.739 18.256 -1.518 1.00 0.00 C ATOM 355 C THR A 22 21.355 18.092 -0.888 1.00 0.00 C ATOM 356 O THR A 22 20.955 17.001 -0.534 1.00 0.00 O ATOM 357 CB THR A 22 23.296 19.640 -1.178 1.00 0.00 C ATOM 358 OG1 THR A 22 24.643 19.728 -1.621 1.00 0.00 O ATOM 359 CG2 THR A 22 23.238 19.857 0.334 1.00 0.00 C ATOM 0 H THR A 22 22.421 18.981 -3.500 1.00 0.00 H new ATOM 0 HA THR A 22 23.413 17.493 -1.130 1.00 0.00 H new ATOM 0 HB THR A 22 22.700 20.405 -1.675 1.00 0.00 H new ATOM 0 HG1 THR A 22 25.001 20.614 -1.406 1.00 0.00 H new ATOM 0 HG21 THR A 22 23.635 20.843 0.576 1.00 0.00 H new ATOM 0 HG22 THR A 22 22.204 19.789 0.672 1.00 0.00 H new ATOM 0 HG23 THR A 22 23.834 19.094 0.834 1.00 0.00 H new ATOM 367 N LEU A 23 20.621 19.170 -0.771 1.00 0.00 N ATOM 368 CA LEU A 23 19.253 19.121 -0.188 1.00 0.00 C ATOM 369 C LEU A 23 19.147 18.012 0.854 1.00 0.00 C ATOM 370 O LEU A 23 18.137 17.347 0.975 1.00 0.00 O ATOM 371 CB LEU A 23 18.268 18.889 -1.318 1.00 0.00 C ATOM 372 CG LEU A 23 16.868 19.335 -0.884 1.00 0.00 C ATOM 373 CD1 LEU A 23 16.919 20.777 -0.370 1.00 0.00 C ATOM 374 CD2 LEU A 23 15.916 19.256 -2.078 1.00 0.00 C ATOM 0 H LEU A 23 20.923 20.100 -1.063 1.00 0.00 H new ATOM 0 HA LEU A 23 19.030 20.062 0.316 1.00 0.00 H new ATOM 0 HB2 LEU A 23 18.579 19.444 -2.203 1.00 0.00 H new ATOM 0 HB3 LEU A 23 18.255 17.834 -1.591 1.00 0.00 H new ATOM 0 HG LEU A 23 16.513 18.681 -0.088 1.00 0.00 H new ATOM 0 HD11 LEU A 23 15.921 21.089 -0.063 1.00 0.00 H new ATOM 0 HD12 LEU A 23 17.596 20.836 0.482 1.00 0.00 H new ATOM 0 HD13 LEU A 23 17.276 21.434 -1.163 1.00 0.00 H new ATOM 0 HD21 LEU A 23 14.920 19.573 -1.770 1.00 0.00 H new ATOM 0 HD22 LEU A 23 16.275 19.909 -2.874 1.00 0.00 H new ATOM 0 HD23 LEU A 23 15.874 18.230 -2.442 1.00 0.00 H new ATOM 386 N CYS A 24 20.179 17.827 1.621 1.00 0.00 N ATOM 387 CA CYS A 24 20.153 16.782 2.679 1.00 0.00 C ATOM 388 C CYS A 24 20.001 15.388 2.059 1.00 0.00 C ATOM 389 O CYS A 24 19.115 14.638 2.412 1.00 0.00 O ATOM 390 CB CYS A 24 18.973 17.067 3.602 1.00 0.00 C ATOM 391 SG CYS A 24 19.508 16.961 5.328 1.00 0.00 S ATOM 0 H CYS A 24 21.048 18.358 1.561 1.00 0.00 H new ATOM 0 HA CYS A 24 21.089 16.804 3.237 1.00 0.00 H new ATOM 0 HB2 CYS A 24 18.570 18.059 3.397 1.00 0.00 H new ATOM 0 HB3 CYS A 24 18.172 16.352 3.415 1.00 0.00 H new ATOM 396 N THR A 25 20.875 15.022 1.160 1.00 0.00 N ATOM 397 CA THR A 25 20.789 13.663 0.548 1.00 0.00 C ATOM 398 C THR A 25 21.185 12.639 1.612 1.00 0.00 C ATOM 399 O THR A 25 21.483 12.992 2.736 1.00 0.00 O ATOM 400 CB THR A 25 21.759 13.573 -0.631 1.00 0.00 C ATOM 401 OG1 THR A 25 22.182 14.880 -0.992 1.00 0.00 O ATOM 402 CG2 THR A 25 21.060 12.914 -1.821 1.00 0.00 C ATOM 0 H THR A 25 21.643 15.603 0.823 1.00 0.00 H new ATOM 0 HA THR A 25 19.777 13.470 0.192 1.00 0.00 H new ATOM 0 HB THR A 25 22.625 12.975 -0.346 1.00 0.00 H new ATOM 0 HG1 THR A 25 22.563 14.863 -1.895 1.00 0.00 H new ATOM 0 HG21 THR A 25 21.753 12.851 -2.660 1.00 0.00 H new ATOM 0 HG22 THR A 25 20.735 11.912 -1.542 1.00 0.00 H new ATOM 0 HG23 THR A 25 20.194 13.509 -2.110 1.00 0.00 H new ATOM 410 N GLU A 26 21.186 11.378 1.278 1.00 0.00 N ATOM 411 CA GLU A 26 21.560 10.336 2.281 1.00 0.00 C ATOM 412 C GLU A 26 20.373 10.064 3.211 1.00 0.00 C ATOM 413 O GLU A 26 20.380 9.121 3.977 1.00 0.00 O ATOM 414 CB GLU A 26 22.758 10.817 3.103 1.00 0.00 C ATOM 415 CG GLU A 26 23.463 9.610 3.730 1.00 0.00 C ATOM 416 CD GLU A 26 24.899 9.533 3.210 1.00 0.00 C ATOM 417 OE1 GLU A 26 25.404 10.550 2.767 1.00 0.00 O ATOM 418 OE2 GLU A 26 25.469 8.456 3.264 1.00 0.00 O ATOM 0 H GLU A 26 20.944 11.022 0.353 1.00 0.00 H new ATOM 0 HA GLU A 26 21.827 9.417 1.760 1.00 0.00 H new ATOM 0 HB2 GLU A 26 23.452 11.367 2.467 1.00 0.00 H new ATOM 0 HB3 GLU A 26 22.426 11.503 3.882 1.00 0.00 H new ATOM 0 HG2 GLU A 26 23.462 9.699 4.816 1.00 0.00 H new ATOM 0 HG3 GLU A 26 22.926 8.694 3.485 1.00 0.00 H new ATOM 425 N LEU A 27 19.348 10.870 3.142 1.00 0.00 N ATOM 426 CA LEU A 27 18.158 10.647 4.008 1.00 0.00 C ATOM 427 C LEU A 27 17.764 9.171 3.914 1.00 0.00 C ATOM 428 O LEU A 27 18.323 8.432 3.138 1.00 0.00 O ATOM 429 CB LEU A 27 17.006 11.527 3.496 1.00 0.00 C ATOM 430 CG LEU A 27 17.167 13.000 3.933 1.00 0.00 C ATOM 431 CD1 LEU A 27 15.837 13.501 4.497 1.00 0.00 C ATOM 432 CD2 LEU A 27 18.257 13.166 5.003 1.00 0.00 C ATOM 0 H LEU A 27 19.285 11.676 2.520 1.00 0.00 H new ATOM 0 HA LEU A 27 18.378 10.904 5.044 1.00 0.00 H new ATOM 0 HB2 LEU A 27 16.965 11.474 2.408 1.00 0.00 H new ATOM 0 HB3 LEU A 27 16.059 11.139 3.870 1.00 0.00 H new ATOM 0 HG LEU A 27 17.463 13.579 3.058 1.00 0.00 H new ATOM 0 HD11 LEU A 27 15.942 14.540 4.808 1.00 0.00 H new ATOM 0 HD12 LEU A 27 15.066 13.428 3.730 1.00 0.00 H new ATOM 0 HD13 LEU A 27 15.554 12.892 5.356 1.00 0.00 H new ATOM 0 HD21 LEU A 27 18.337 14.217 5.281 1.00 0.00 H new ATOM 0 HD22 LEU A 27 17.997 12.577 5.882 1.00 0.00 H new ATOM 0 HD23 LEU A 27 19.212 12.822 4.606 1.00 0.00 H new ATOM 444 N THR A 28 16.815 8.719 4.688 1.00 0.00 N ATOM 445 CA THR A 28 16.428 7.286 4.587 1.00 0.00 C ATOM 446 C THR A 28 15.102 7.174 3.836 1.00 0.00 C ATOM 447 O THR A 28 14.079 7.652 4.284 1.00 0.00 O ATOM 448 CB THR A 28 16.290 6.687 5.985 1.00 0.00 C ATOM 449 OG1 THR A 28 15.885 7.699 6.897 1.00 0.00 O ATOM 450 CG2 THR A 28 17.638 6.111 6.419 1.00 0.00 C ATOM 0 H THR A 28 16.299 9.270 5.374 1.00 0.00 H new ATOM 0 HA THR A 28 17.198 6.737 4.045 1.00 0.00 H new ATOM 0 HB THR A 28 15.542 5.895 5.974 1.00 0.00 H new ATOM 0 HG1 THR A 28 15.795 7.314 7.794 1.00 0.00 H new ATOM 0 HG21 THR A 28 17.546 5.682 7.417 1.00 0.00 H new ATOM 0 HG22 THR A 28 17.945 5.336 5.717 1.00 0.00 H new ATOM 0 HG23 THR A 28 18.385 6.904 6.433 1.00 0.00 H new ATOM 458 N VAL A 29 15.114 6.551 2.687 1.00 0.00 N ATOM 459 CA VAL A 29 13.856 6.413 1.898 1.00 0.00 C ATOM 460 C VAL A 29 13.442 4.941 1.862 1.00 0.00 C ATOM 461 O VAL A 29 14.169 4.071 2.297 1.00 0.00 O ATOM 462 CB VAL A 29 14.067 6.920 0.459 1.00 0.00 C ATOM 463 CG1 VAL A 29 12.954 7.896 0.053 1.00 0.00 C ATOM 464 CG2 VAL A 29 15.415 7.634 0.326 1.00 0.00 C ATOM 0 H VAL A 29 15.941 6.132 2.261 1.00 0.00 H new ATOM 0 HA VAL A 29 13.074 7.008 2.370 1.00 0.00 H new ATOM 0 HB VAL A 29 14.046 6.050 -0.197 1.00 0.00 H new ATOM 0 HG11 VAL A 29 13.126 8.240 -0.967 1.00 0.00 H new ATOM 0 HG12 VAL A 29 11.989 7.391 0.108 1.00 0.00 H new ATOM 0 HG13 VAL A 29 12.955 8.751 0.729 1.00 0.00 H new ATOM 0 HG21 VAL A 29 15.542 7.983 -0.699 1.00 0.00 H new ATOM 0 HG22 VAL A 29 15.444 8.485 1.006 1.00 0.00 H new ATOM 0 HG23 VAL A 29 16.219 6.942 0.576 1.00 0.00 H new ATOM 474 N THR A 30 12.276 4.657 1.352 1.00 0.00 N ATOM 475 CA THR A 30 11.812 3.241 1.293 1.00 0.00 C ATOM 476 C THR A 30 12.814 2.409 0.489 1.00 0.00 C ATOM 477 O THR A 30 13.223 2.784 -0.594 1.00 0.00 O ATOM 478 CB THR A 30 10.437 3.183 0.624 1.00 0.00 C ATOM 479 OG1 THR A 30 9.455 3.674 1.526 1.00 0.00 O ATOM 480 CG2 THR A 30 10.104 1.740 0.243 1.00 0.00 C ATOM 0 H THR A 30 11.624 5.344 0.973 1.00 0.00 H new ATOM 0 HA THR A 30 11.738 2.838 2.303 1.00 0.00 H new ATOM 0 HB THR A 30 10.448 3.796 -0.277 1.00 0.00 H new ATOM 0 HG1 THR A 30 8.573 3.640 1.100 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.124 1.706 -0.233 1.00 0.00 H new ATOM 0 HG22 THR A 30 10.857 1.364 -0.450 1.00 0.00 H new ATOM 0 HG23 THR A 30 10.094 1.120 1.140 1.00 0.00 H new ATOM 488 N ASP A 31 13.217 1.284 1.013 1.00 0.00 N ATOM 489 CA ASP A 31 14.198 0.430 0.285 1.00 0.00 C ATOM 490 C ASP A 31 13.482 -0.389 -0.794 1.00 0.00 C ATOM 491 O ASP A 31 12.366 -0.830 -0.617 1.00 0.00 O ATOM 492 CB ASP A 31 14.879 -0.519 1.272 1.00 0.00 C ATOM 493 CG ASP A 31 16.116 -1.137 0.616 1.00 0.00 C ATOM 494 OD1 ASP A 31 15.945 -1.994 -0.234 1.00 0.00 O ATOM 495 OD2 ASP A 31 17.213 -0.741 0.975 1.00 0.00 O ATOM 0 H ASP A 31 12.909 0.919 1.914 1.00 0.00 H new ATOM 0 HA ASP A 31 14.945 1.069 -0.187 1.00 0.00 H new ATOM 0 HB2 ASP A 31 15.165 0.022 2.174 1.00 0.00 H new ATOM 0 HB3 ASP A 31 14.186 -1.303 1.576 1.00 0.00 H new ATOM 500 N ILE A 32 14.129 -0.592 -1.909 1.00 0.00 N ATOM 501 CA ILE A 32 13.506 -1.382 -3.009 1.00 0.00 C ATOM 502 C ILE A 32 14.605 -2.178 -3.723 1.00 0.00 C ATOM 503 O ILE A 32 15.399 -2.847 -3.097 1.00 0.00 O ATOM 504 CB ILE A 32 12.820 -0.420 -3.993 1.00 0.00 C ATOM 505 CG1 ILE A 32 13.850 0.584 -4.515 1.00 0.00 C ATOM 506 CG2 ILE A 32 11.697 0.330 -3.276 1.00 0.00 C ATOM 507 CD1 ILE A 32 13.640 0.796 -6.017 1.00 0.00 C ATOM 0 H ILE A 32 15.067 -0.243 -2.106 1.00 0.00 H new ATOM 0 HA ILE A 32 12.761 -2.071 -2.611 1.00 0.00 H new ATOM 0 HB ILE A 32 12.402 -0.985 -4.826 1.00 0.00 H new ATOM 0 HG12 ILE A 32 13.751 1.532 -3.986 1.00 0.00 H new ATOM 0 HG13 ILE A 32 14.859 0.218 -4.326 1.00 0.00 H new ATOM 0 HG21 ILE A 32 11.211 1.012 -3.974 1.00 0.00 H new ATOM 0 HG22 ILE A 32 10.966 -0.384 -2.898 1.00 0.00 H new ATOM 0 HG23 ILE A 32 12.112 0.898 -2.444 1.00 0.00 H new ATOM 0 HD11 ILE A 32 14.373 1.511 -6.390 1.00 0.00 H new ATOM 0 HD12 ILE A 32 13.761 -0.153 -6.539 1.00 0.00 H new ATOM 0 HD13 ILE A 32 12.636 1.181 -6.193 1.00 0.00 H new ATOM 519 N PHE A 33 14.683 -2.081 -5.023 1.00 0.00 N ATOM 520 CA PHE A 33 15.745 -2.793 -5.768 1.00 0.00 C ATOM 521 C PHE A 33 15.910 -4.231 -5.246 1.00 0.00 C ATOM 522 O PHE A 33 16.950 -4.835 -5.402 1.00 0.00 O ATOM 523 CB PHE A 33 17.013 -1.998 -5.550 1.00 0.00 C ATOM 524 CG PHE A 33 16.992 -0.783 -6.446 1.00 0.00 C ATOM 525 CD1 PHE A 33 17.109 -0.927 -7.832 1.00 0.00 C ATOM 526 CD2 PHE A 33 16.838 0.492 -5.886 1.00 0.00 C ATOM 527 CE1 PHE A 33 17.072 0.203 -8.657 1.00 0.00 C ATOM 528 CE2 PHE A 33 16.803 1.620 -6.709 1.00 0.00 C ATOM 529 CZ PHE A 33 16.919 1.476 -8.096 1.00 0.00 C ATOM 0 H PHE A 33 14.047 -1.532 -5.601 1.00 0.00 H new ATOM 0 HA PHE A 33 15.500 -2.871 -6.827 1.00 0.00 H new ATOM 0 HB2 PHE A 33 17.092 -1.695 -4.506 1.00 0.00 H new ATOM 0 HB3 PHE A 33 17.885 -2.613 -5.770 1.00 0.00 H new ATOM 0 HD1 PHE A 33 17.228 -1.909 -8.265 1.00 0.00 H new ATOM 0 HD2 PHE A 33 16.746 0.603 -4.816 1.00 0.00 H new ATOM 0 HE1 PHE A 33 17.162 0.092 -9.728 1.00 0.00 H new ATOM 0 HE2 PHE A 33 16.687 2.602 -6.275 1.00 0.00 H new ATOM 0 HZ PHE A 33 16.890 2.347 -8.734 1.00 0.00 H new ATOM 539 N ALA A 34 14.890 -4.785 -4.636 1.00 0.00 N ATOM 540 CA ALA A 34 14.979 -6.183 -4.115 1.00 0.00 C ATOM 541 C ALA A 34 16.353 -6.451 -3.502 1.00 0.00 C ATOM 542 O ALA A 34 16.835 -7.566 -3.486 1.00 0.00 O ATOM 543 CB ALA A 34 14.723 -7.173 -5.253 1.00 0.00 C ATOM 0 H ALA A 34 13.994 -4.324 -4.476 1.00 0.00 H new ATOM 0 HA ALA A 34 14.224 -6.310 -3.339 1.00 0.00 H new ATOM 0 HB1 ALA A 34 14.788 -8.192 -4.871 1.00 0.00 H new ATOM 0 HB2 ALA A 34 13.729 -7.004 -5.666 1.00 0.00 H new ATOM 0 HB3 ALA A 34 15.469 -7.030 -6.034 1.00 0.00 H new ATOM 549 N ALA A 35 16.976 -5.437 -2.991 1.00 0.00 N ATOM 550 CA ALA A 35 18.316 -5.616 -2.360 1.00 0.00 C ATOM 551 C ALA A 35 19.365 -5.795 -3.451 1.00 0.00 C ATOM 552 O ALA A 35 19.919 -6.861 -3.629 1.00 0.00 O ATOM 553 CB ALA A 35 18.297 -6.851 -1.458 1.00 0.00 C ATOM 0 H ALA A 35 16.618 -4.482 -2.980 1.00 0.00 H new ATOM 0 HA ALA A 35 18.558 -4.738 -1.761 1.00 0.00 H new ATOM 0 HB1 ALA A 35 19.277 -6.981 -0.998 1.00 0.00 H new ATOM 0 HB2 ALA A 35 17.545 -6.722 -0.680 1.00 0.00 H new ATOM 0 HB3 ALA A 35 18.056 -7.732 -2.053 1.00 0.00 H new ATOM 559 N SER A 36 19.632 -4.758 -4.188 1.00 0.00 N ATOM 560 CA SER A 36 20.636 -4.853 -5.282 1.00 0.00 C ATOM 561 C SER A 36 20.432 -6.157 -6.044 1.00 0.00 C ATOM 562 O SER A 36 21.347 -6.703 -6.630 1.00 0.00 O ATOM 563 CB SER A 36 22.049 -4.807 -4.698 1.00 0.00 C ATOM 564 OG SER A 36 22.256 -3.555 -4.060 1.00 0.00 O ATOM 0 H SER A 36 19.196 -3.842 -4.080 1.00 0.00 H new ATOM 0 HA SER A 36 20.509 -4.012 -5.963 1.00 0.00 H new ATOM 0 HB2 SER A 36 22.185 -5.619 -3.983 1.00 0.00 H new ATOM 0 HB3 SER A 36 22.786 -4.951 -5.488 1.00 0.00 H new ATOM 0 HG SER A 36 23.160 -3.525 -3.684 1.00 0.00 H new ATOM 570 N LYS A 37 19.232 -6.653 -6.046 1.00 0.00 N ATOM 571 CA LYS A 37 18.948 -7.919 -6.775 1.00 0.00 C ATOM 572 C LYS A 37 18.881 -7.641 -8.277 1.00 0.00 C ATOM 573 O LYS A 37 18.807 -8.545 -9.085 1.00 0.00 O ATOM 574 CB LYS A 37 17.615 -8.502 -6.298 1.00 0.00 C ATOM 575 CG LYS A 37 17.481 -9.942 -6.798 1.00 0.00 C ATOM 576 CD LYS A 37 16.906 -10.818 -5.685 1.00 0.00 C ATOM 577 CE LYS A 37 18.037 -11.277 -4.761 1.00 0.00 C ATOM 578 NZ LYS A 37 18.014 -12.763 -4.647 1.00 0.00 N ATOM 0 H LYS A 37 18.430 -6.236 -5.573 1.00 0.00 H new ATOM 0 HA LYS A 37 19.744 -8.636 -6.576 1.00 0.00 H new ATOM 0 HB2 LYS A 37 17.564 -8.477 -5.209 1.00 0.00 H new ATOM 0 HB3 LYS A 37 16.788 -7.898 -6.670 1.00 0.00 H new ATOM 0 HG2 LYS A 37 16.832 -9.975 -7.673 1.00 0.00 H new ATOM 0 HG3 LYS A 37 18.454 -10.322 -7.108 1.00 0.00 H new ATOM 0 HD2 LYS A 37 16.161 -10.260 -5.117 1.00 0.00 H new ATOM 0 HD3 LYS A 37 16.399 -11.682 -6.113 1.00 0.00 H new ATOM 0 HE2 LYS A 37 18.999 -10.947 -5.154 1.00 0.00 H new ATOM 0 HE3 LYS A 37 17.923 -10.824 -3.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 18.782 -13.075 -4.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 17.101 -13.067 -4.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 18.143 -13.185 -5.589 1.00 0.00 H new ATOM 592 N ASN A 38 18.914 -6.395 -8.654 1.00 0.00 N ATOM 593 CA ASN A 38 18.862 -6.048 -10.103 1.00 0.00 C ATOM 594 C ASN A 38 17.651 -6.719 -10.755 1.00 0.00 C ATOM 595 O ASN A 38 17.670 -7.049 -11.925 1.00 0.00 O ATOM 596 CB ASN A 38 20.141 -6.534 -10.789 1.00 0.00 C ATOM 597 CG ASN A 38 20.203 -5.973 -12.209 1.00 0.00 C ATOM 598 OD1 ASN A 38 20.179 -4.772 -12.402 1.00 0.00 O ATOM 599 ND2 ASN A 38 20.282 -6.793 -13.221 1.00 0.00 N ATOM 0 H ASN A 38 18.975 -5.598 -8.020 1.00 0.00 H new ATOM 0 HA ASN A 38 18.775 -4.967 -10.210 1.00 0.00 H new ATOM 0 HB2 ASN A 38 21.015 -6.214 -10.222 1.00 0.00 H new ATOM 0 HB3 ASN A 38 20.160 -7.623 -10.816 1.00 0.00 H new ATOM 0 HD21 ASN A 38 20.324 -6.427 -14.172 1.00 0.00 H new ATOM 0 HD22 ASN A 38 20.302 -7.800 -13.061 1.00 0.00 H new ATOM 606 N THR A 39 16.593 -6.917 -10.017 1.00 0.00 N ATOM 607 CA THR A 39 15.386 -7.560 -10.608 1.00 0.00 C ATOM 608 C THR A 39 14.999 -6.816 -11.888 1.00 0.00 C ATOM 609 O THR A 39 15.677 -5.897 -12.307 1.00 0.00 O ATOM 610 CB THR A 39 14.231 -7.495 -9.605 1.00 0.00 C ATOM 611 OG1 THR A 39 13.128 -8.237 -10.105 1.00 0.00 O ATOM 612 CG2 THR A 39 13.816 -6.039 -9.394 1.00 0.00 C ATOM 0 H THR A 39 16.512 -6.662 -9.033 1.00 0.00 H new ATOM 0 HA THR A 39 15.600 -8.603 -10.842 1.00 0.00 H new ATOM 0 HB THR A 39 14.552 -7.919 -8.654 1.00 0.00 H new ATOM 0 HG1 THR A 39 12.466 -7.623 -10.485 1.00 0.00 H new ATOM 0 HG21 THR A 39 12.994 -5.995 -8.680 1.00 0.00 H new ATOM 0 HG22 THR A 39 14.663 -5.472 -9.008 1.00 0.00 H new ATOM 0 HG23 THR A 39 13.495 -5.611 -10.344 1.00 0.00 H new ATOM 620 N THR A 40 13.919 -7.200 -12.515 1.00 0.00 N ATOM 621 CA THR A 40 13.498 -6.506 -13.766 1.00 0.00 C ATOM 622 C THR A 40 13.652 -4.996 -13.580 1.00 0.00 C ATOM 623 O THR A 40 13.070 -4.409 -12.691 1.00 0.00 O ATOM 624 CB THR A 40 12.032 -6.835 -14.067 1.00 0.00 C ATOM 625 OG1 THR A 40 11.394 -7.275 -12.876 1.00 0.00 O ATOM 626 CG2 THR A 40 11.963 -7.939 -15.123 1.00 0.00 C ATOM 0 H THR A 40 13.312 -7.963 -12.215 1.00 0.00 H new ATOM 0 HA THR A 40 14.121 -6.840 -14.596 1.00 0.00 H new ATOM 0 HB THR A 40 11.528 -5.944 -14.442 1.00 0.00 H new ATOM 0 HG1 THR A 40 10.791 -8.019 -13.084 1.00 0.00 H new ATOM 0 HG21 THR A 40 10.920 -8.173 -15.337 1.00 0.00 H new ATOM 0 HG22 THR A 40 12.454 -7.601 -16.036 1.00 0.00 H new ATOM 0 HG23 THR A 40 12.466 -8.831 -14.750 1.00 0.00 H new ATOM 634 N GLU A 41 14.439 -4.361 -14.406 1.00 0.00 N ATOM 635 CA GLU A 41 14.634 -2.891 -14.262 1.00 0.00 C ATOM 636 C GLU A 41 13.277 -2.188 -14.262 1.00 0.00 C ATOM 637 O GLU A 41 13.022 -1.322 -13.453 1.00 0.00 O ATOM 638 CB GLU A 41 15.484 -2.365 -15.421 1.00 0.00 C ATOM 639 CG GLU A 41 16.693 -3.281 -15.624 1.00 0.00 C ATOM 640 CD GLU A 41 16.719 -3.779 -17.071 1.00 0.00 C ATOM 641 OE1 GLU A 41 16.972 -2.974 -17.950 1.00 0.00 O ATOM 642 OE2 GLU A 41 16.485 -4.959 -17.273 1.00 0.00 O ATOM 0 H GLU A 41 14.954 -4.796 -15.172 1.00 0.00 H new ATOM 0 HA GLU A 41 15.145 -2.689 -13.321 1.00 0.00 H new ATOM 0 HB2 GLU A 41 14.889 -2.323 -16.333 1.00 0.00 H new ATOM 0 HB3 GLU A 41 15.816 -1.348 -15.210 1.00 0.00 H new ATOM 0 HG2 GLU A 41 17.613 -2.742 -15.397 1.00 0.00 H new ATOM 0 HG3 GLU A 41 16.641 -4.127 -14.938 1.00 0.00 H new ATOM 649 N LYS A 42 12.406 -2.550 -15.159 1.00 0.00 N ATOM 650 CA LYS A 42 11.072 -1.892 -15.192 1.00 0.00 C ATOM 651 C LYS A 42 10.396 -2.045 -13.827 1.00 0.00 C ATOM 652 O LYS A 42 9.668 -1.180 -13.384 1.00 0.00 O ATOM 653 CB LYS A 42 10.204 -2.549 -16.269 1.00 0.00 C ATOM 654 CG LYS A 42 10.703 -2.130 -17.653 1.00 0.00 C ATOM 655 CD LYS A 42 9.511 -1.957 -18.596 1.00 0.00 C ATOM 656 CE LYS A 42 9.277 -3.256 -19.369 1.00 0.00 C ATOM 657 NZ LYS A 42 8.541 -4.223 -18.506 1.00 0.00 N ATOM 0 H LYS A 42 12.558 -3.268 -15.867 1.00 0.00 H new ATOM 0 HA LYS A 42 11.194 -0.833 -15.421 1.00 0.00 H new ATOM 0 HB2 LYS A 42 10.242 -3.634 -16.170 1.00 0.00 H new ATOM 0 HB3 LYS A 42 9.162 -2.254 -16.142 1.00 0.00 H new ATOM 0 HG2 LYS A 42 11.262 -1.197 -17.582 1.00 0.00 H new ATOM 0 HG3 LYS A 42 11.386 -2.882 -18.048 1.00 0.00 H new ATOM 0 HD2 LYS A 42 8.619 -1.695 -18.027 1.00 0.00 H new ATOM 0 HD3 LYS A 42 9.699 -1.138 -19.290 1.00 0.00 H new ATOM 0 HE2 LYS A 42 8.707 -3.054 -20.276 1.00 0.00 H new ATOM 0 HE3 LYS A 42 10.230 -3.683 -19.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 8.161 -4.993 -19.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 9.190 -4.618 -17.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 7.758 -3.734 -18.027 1.00 0.00 H new ATOM 671 N GLU A 43 10.634 -3.140 -13.158 1.00 0.00 N ATOM 672 CA GLU A 43 10.009 -3.350 -11.821 1.00 0.00 C ATOM 673 C GLU A 43 10.644 -2.406 -10.802 1.00 0.00 C ATOM 674 O GLU A 43 9.961 -1.742 -10.049 1.00 0.00 O ATOM 675 CB GLU A 43 10.219 -4.798 -11.376 1.00 0.00 C ATOM 676 CG GLU A 43 9.196 -5.699 -12.074 1.00 0.00 C ATOM 677 CD GLU A 43 7.847 -5.584 -11.362 1.00 0.00 C ATOM 678 OE1 GLU A 43 7.674 -6.244 -10.351 1.00 0.00 O ATOM 679 OE2 GLU A 43 7.007 -4.838 -11.842 1.00 0.00 O ATOM 0 H GLU A 43 11.235 -3.899 -13.480 1.00 0.00 H new ATOM 0 HA GLU A 43 8.941 -3.144 -11.888 1.00 0.00 H new ATOM 0 HB2 GLU A 43 11.231 -5.122 -11.620 1.00 0.00 H new ATOM 0 HB3 GLU A 43 10.111 -4.877 -10.294 1.00 0.00 H new ATOM 0 HG2 GLU A 43 9.093 -5.409 -13.120 1.00 0.00 H new ATOM 0 HG3 GLU A 43 9.539 -6.734 -12.062 1.00 0.00 H new ATOM 686 N THR A 44 11.948 -2.335 -10.769 1.00 0.00 N ATOM 687 CA THR A 44 12.600 -1.420 -9.787 1.00 0.00 C ATOM 688 C THR A 44 12.123 -0.002 -10.061 1.00 0.00 C ATOM 689 O THR A 44 12.052 0.822 -9.181 1.00 0.00 O ATOM 690 CB THR A 44 14.136 -1.490 -9.882 1.00 0.00 C ATOM 691 OG1 THR A 44 14.691 -1.002 -8.669 1.00 0.00 O ATOM 692 CG2 THR A 44 14.637 -0.628 -11.045 1.00 0.00 C ATOM 0 H THR A 44 12.582 -2.862 -11.369 1.00 0.00 H new ATOM 0 HA THR A 44 12.324 -1.727 -8.778 1.00 0.00 H new ATOM 0 HB THR A 44 14.439 -2.523 -10.052 1.00 0.00 H new ATOM 0 HG1 THR A 44 15.665 -0.938 -8.757 1.00 0.00 H new ATOM 0 HG21 THR A 44 15.724 -0.687 -11.100 1.00 0.00 H new ATOM 0 HG22 THR A 44 14.206 -0.990 -11.978 1.00 0.00 H new ATOM 0 HG23 THR A 44 14.338 0.408 -10.885 1.00 0.00 H new ATOM 700 N PHE A 45 11.804 0.278 -11.283 1.00 0.00 N ATOM 701 CA PHE A 45 11.319 1.638 -11.640 1.00 0.00 C ATOM 702 C PHE A 45 9.909 1.846 -11.082 1.00 0.00 C ATOM 703 O PHE A 45 9.516 2.949 -10.756 1.00 0.00 O ATOM 704 CB PHE A 45 11.309 1.785 -13.153 1.00 0.00 C ATOM 705 CG PHE A 45 12.755 1.901 -13.642 1.00 0.00 C ATOM 706 CD1 PHE A 45 13.669 2.734 -12.964 1.00 0.00 C ATOM 707 CD2 PHE A 45 13.196 1.169 -14.761 1.00 0.00 C ATOM 708 CE1 PHE A 45 14.993 2.829 -13.403 1.00 0.00 C ATOM 709 CE2 PHE A 45 14.522 1.273 -15.193 1.00 0.00 C ATOM 710 CZ PHE A 45 15.419 2.102 -14.515 1.00 0.00 C ATOM 0 H PHE A 45 11.857 -0.379 -12.061 1.00 0.00 H new ATOM 0 HA PHE A 45 11.982 2.389 -11.210 1.00 0.00 H new ATOM 0 HB2 PHE A 45 10.822 0.925 -13.613 1.00 0.00 H new ATOM 0 HB3 PHE A 45 10.739 2.668 -13.444 1.00 0.00 H new ATOM 0 HD1 PHE A 45 13.345 3.300 -12.103 1.00 0.00 H new ATOM 0 HD2 PHE A 45 12.508 0.525 -15.288 1.00 0.00 H new ATOM 0 HE1 PHE A 45 15.689 3.468 -12.879 1.00 0.00 H new ATOM 0 HE2 PHE A 45 14.854 0.711 -16.053 1.00 0.00 H new ATOM 0 HZ PHE A 45 16.442 2.180 -14.852 1.00 0.00 H new ATOM 720 N CYS A 46 9.135 0.793 -10.980 1.00 0.00 N ATOM 721 CA CYS A 46 7.748 0.938 -10.457 1.00 0.00 C ATOM 722 C CYS A 46 7.792 1.251 -8.954 1.00 0.00 C ATOM 723 O CYS A 46 7.208 2.212 -8.495 1.00 0.00 O ATOM 724 CB CYS A 46 6.995 -0.381 -10.721 1.00 0.00 C ATOM 725 SG CYS A 46 5.608 -0.583 -9.567 1.00 0.00 S ATOM 0 H CYS A 46 9.406 -0.156 -11.236 1.00 0.00 H new ATOM 0 HA CYS A 46 7.232 1.758 -10.956 1.00 0.00 H new ATOM 0 HB2 CYS A 46 6.624 -0.393 -11.746 1.00 0.00 H new ATOM 0 HB3 CYS A 46 7.681 -1.222 -10.620 1.00 0.00 H new ATOM 730 N ARG A 47 8.491 0.459 -8.190 1.00 0.00 N ATOM 731 CA ARG A 47 8.582 0.727 -6.723 1.00 0.00 C ATOM 732 C ARG A 47 9.457 1.960 -6.478 1.00 0.00 C ATOM 733 O ARG A 47 9.220 2.740 -5.577 1.00 0.00 O ATOM 734 CB ARG A 47 9.202 -0.486 -6.024 1.00 0.00 C ATOM 735 CG ARG A 47 9.027 -0.347 -4.510 1.00 0.00 C ATOM 736 CD ARG A 47 7.683 -0.947 -4.093 1.00 0.00 C ATOM 737 NE ARG A 47 7.145 -0.192 -2.926 1.00 0.00 N ATOM 738 CZ ARG A 47 6.198 0.688 -3.099 1.00 0.00 C ATOM 739 NH1 ARG A 47 5.232 0.451 -3.945 1.00 0.00 N ATOM 740 NH2 ARG A 47 6.214 1.807 -2.426 1.00 0.00 N ATOM 0 H ARG A 47 9.003 -0.361 -8.515 1.00 0.00 H new ATOM 0 HA ARG A 47 7.584 0.909 -6.325 1.00 0.00 H new ATOM 0 HB2 ARG A 47 8.727 -1.403 -6.373 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.260 -0.561 -6.273 1.00 0.00 H new ATOM 0 HG2 ARG A 47 9.840 -0.855 -3.991 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.073 0.704 -4.223 1.00 0.00 H new ATOM 0 HD2 ARG A 47 6.979 -0.903 -4.924 1.00 0.00 H new ATOM 0 HD3 ARG A 47 7.806 -1.999 -3.834 1.00 0.00 H new ATOM 0 HE ARG A 47 7.517 -0.364 -1.992 1.00 0.00 H new ATOM 0 HH11 ARG A 47 5.218 -0.423 -4.471 1.00 0.00 H new ATOM 0 HH12 ARG A 47 4.492 1.140 -4.080 1.00 0.00 H new ATOM 0 HH21 ARG A 47 6.968 1.993 -1.764 1.00 0.00 H new ATOM 0 HH22 ARG A 47 5.473 2.495 -2.562 1.00 0.00 H new ATOM 754 N ALA A 48 10.477 2.119 -7.270 1.00 0.00 N ATOM 755 CA ALA A 48 11.409 3.283 -7.097 1.00 0.00 C ATOM 756 C ALA A 48 10.725 4.579 -7.495 1.00 0.00 C ATOM 757 O ALA A 48 11.039 5.636 -7.001 1.00 0.00 O ATOM 758 CB ALA A 48 12.679 3.107 -7.943 1.00 0.00 C ATOM 0 H ALA A 48 10.713 1.491 -8.038 1.00 0.00 H new ATOM 0 HA ALA A 48 11.687 3.324 -6.044 1.00 0.00 H new ATOM 0 HB1 ALA A 48 13.335 3.965 -7.797 1.00 0.00 H new ATOM 0 HB2 ALA A 48 13.197 2.198 -7.637 1.00 0.00 H new ATOM 0 HB3 ALA A 48 12.407 3.033 -8.996 1.00 0.00 H new ATOM 764 N ALA A 49 9.807 4.502 -8.391 1.00 0.00 N ATOM 765 CA ALA A 49 9.103 5.739 -8.835 1.00 0.00 C ATOM 766 C ALA A 49 8.205 6.232 -7.706 1.00 0.00 C ATOM 767 O ALA A 49 8.212 7.395 -7.355 1.00 0.00 O ATOM 768 CB ALA A 49 8.257 5.446 -10.075 1.00 0.00 C ATOM 0 H ALA A 49 9.503 3.640 -8.844 1.00 0.00 H new ATOM 0 HA ALA A 49 9.838 6.504 -9.085 1.00 0.00 H new ATOM 0 HB1 ALA A 49 7.747 6.356 -10.391 1.00 0.00 H new ATOM 0 HB2 ALA A 49 8.901 5.093 -10.880 1.00 0.00 H new ATOM 0 HB3 ALA A 49 7.519 4.680 -9.839 1.00 0.00 H new ATOM 774 N THR A 50 7.435 5.357 -7.128 1.00 0.00 N ATOM 775 CA THR A 50 6.544 5.777 -6.017 1.00 0.00 C ATOM 776 C THR A 50 7.405 6.222 -4.835 1.00 0.00 C ATOM 777 O THR A 50 7.013 7.060 -4.050 1.00 0.00 O ATOM 778 CB THR A 50 5.670 4.595 -5.591 1.00 0.00 C ATOM 779 OG1 THR A 50 5.186 3.928 -6.750 1.00 0.00 O ATOM 780 CG2 THR A 50 4.491 5.100 -4.760 1.00 0.00 C ATOM 0 H THR A 50 7.384 4.369 -7.377 1.00 0.00 H new ATOM 0 HA THR A 50 5.907 6.599 -6.343 1.00 0.00 H new ATOM 0 HB THR A 50 6.261 3.903 -4.991 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.419 4.418 -7.113 1.00 0.00 H new ATOM 0 HG21 THR A 50 3.871 4.256 -4.458 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.864 5.612 -3.873 1.00 0.00 H new ATOM 0 HG23 THR A 50 3.896 5.793 -5.355 1.00 0.00 H new ATOM 788 N VAL A 51 8.573 5.654 -4.696 1.00 0.00 N ATOM 789 CA VAL A 51 9.460 6.034 -3.559 1.00 0.00 C ATOM 790 C VAL A 51 10.009 7.448 -3.771 1.00 0.00 C ATOM 791 O VAL A 51 9.892 8.294 -2.908 1.00 0.00 O ATOM 792 CB VAL A 51 10.605 5.007 -3.472 1.00 0.00 C ATOM 793 CG1 VAL A 51 11.871 5.646 -2.893 1.00 0.00 C ATOM 794 CG2 VAL A 51 10.179 3.844 -2.577 1.00 0.00 C ATOM 0 H VAL A 51 8.951 4.943 -5.321 1.00 0.00 H new ATOM 0 HA VAL A 51 8.899 6.032 -2.624 1.00 0.00 H new ATOM 0 HB VAL A 51 10.822 4.649 -4.478 1.00 0.00 H new ATOM 0 HG11 VAL A 51 12.664 4.900 -2.842 1.00 0.00 H new ATOM 0 HG12 VAL A 51 12.188 6.470 -3.533 1.00 0.00 H new ATOM 0 HG13 VAL A 51 11.663 6.023 -1.892 1.00 0.00 H new ATOM 0 HG21 VAL A 51 10.989 3.117 -2.515 1.00 0.00 H new ATOM 0 HG22 VAL A 51 9.950 4.218 -1.579 1.00 0.00 H new ATOM 0 HG23 VAL A 51 9.294 3.366 -2.998 1.00 0.00 H new ATOM 804 N LEU A 52 10.589 7.729 -4.905 1.00 0.00 N ATOM 805 CA LEU A 52 11.101 9.104 -5.124 1.00 0.00 C ATOM 806 C LEU A 52 9.911 10.051 -5.066 1.00 0.00 C ATOM 807 O LEU A 52 10.029 11.191 -4.677 1.00 0.00 O ATOM 808 CB LEU A 52 11.793 9.208 -6.485 1.00 0.00 C ATOM 809 CG LEU A 52 10.840 8.733 -7.582 1.00 0.00 C ATOM 810 CD1 LEU A 52 9.913 9.879 -7.982 1.00 0.00 C ATOM 811 CD2 LEU A 52 11.648 8.282 -8.801 1.00 0.00 C ATOM 0 H LEU A 52 10.728 7.076 -5.676 1.00 0.00 H new ATOM 0 HA LEU A 52 11.834 9.361 -4.360 1.00 0.00 H new ATOM 0 HB2 LEU A 52 12.095 10.238 -6.673 1.00 0.00 H new ATOM 0 HB3 LEU A 52 12.700 8.604 -6.490 1.00 0.00 H new ATOM 0 HG LEU A 52 10.247 7.898 -7.210 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.233 9.541 -8.764 1.00 0.00 H new ATOM 0 HD12 LEU A 52 9.337 10.201 -7.114 1.00 0.00 H new ATOM 0 HD13 LEU A 52 10.507 10.714 -8.353 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.968 7.943 -9.583 1.00 0.00 H new ATOM 0 HD22 LEU A 52 12.242 9.117 -9.173 1.00 0.00 H new ATOM 0 HD23 LEU A 52 12.310 7.464 -8.516 1.00 0.00 H new ATOM 823 N ARG A 53 8.752 9.575 -5.439 1.00 0.00 N ATOM 824 CA ARG A 53 7.547 10.435 -5.384 1.00 0.00 C ATOM 825 C ARG A 53 7.299 10.818 -3.927 1.00 0.00 C ATOM 826 O ARG A 53 7.072 11.968 -3.608 1.00 0.00 O ATOM 827 CB ARG A 53 6.341 9.666 -5.927 1.00 0.00 C ATOM 828 CG ARG A 53 5.107 10.572 -5.905 1.00 0.00 C ATOM 829 CD ARG A 53 3.846 9.716 -5.760 1.00 0.00 C ATOM 830 NE ARG A 53 2.646 10.544 -6.064 1.00 0.00 N ATOM 831 CZ ARG A 53 1.697 10.065 -6.820 1.00 0.00 C ATOM 832 NH1 ARG A 53 1.032 9.008 -6.442 1.00 0.00 N ATOM 833 NH2 ARG A 53 1.413 10.643 -7.954 1.00 0.00 N ATOM 0 H ARG A 53 8.594 8.626 -5.779 1.00 0.00 H new ATOM 0 HA ARG A 53 7.695 11.330 -5.989 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.539 9.328 -6.944 1.00 0.00 H new ATOM 0 HB3 ARG A 53 6.162 8.775 -5.324 1.00 0.00 H new ATOM 0 HG2 ARG A 53 5.177 11.279 -5.078 1.00 0.00 H new ATOM 0 HG3 ARG A 53 5.057 11.159 -6.822 1.00 0.00 H new ATOM 0 HD2 ARG A 53 3.893 8.863 -6.437 1.00 0.00 H new ATOM 0 HD3 ARG A 53 3.779 9.317 -4.748 1.00 0.00 H new ATOM 0 HE ARG A 53 2.566 11.486 -5.681 1.00 0.00 H new ATOM 0 HH11 ARG A 53 1.254 8.556 -5.555 1.00 0.00 H new ATOM 0 HH12 ARG A 53 0.290 8.634 -7.033 1.00 0.00 H new ATOM 0 HH21 ARG A 53 1.933 11.469 -8.250 1.00 0.00 H new ATOM 0 HH22 ARG A 53 0.671 10.269 -8.545 1.00 0.00 H new ATOM 847 N GLN A 54 7.343 9.862 -3.035 1.00 0.00 N ATOM 848 CA GLN A 54 7.110 10.182 -1.599 1.00 0.00 C ATOM 849 C GLN A 54 8.243 11.055 -1.063 1.00 0.00 C ATOM 850 O GLN A 54 8.071 11.828 -0.142 1.00 0.00 O ATOM 851 CB GLN A 54 7.028 8.889 -0.788 1.00 0.00 C ATOM 852 CG GLN A 54 5.844 8.052 -1.277 1.00 0.00 C ATOM 853 CD GLN A 54 5.601 6.895 -0.308 1.00 0.00 C ATOM 854 OE1 GLN A 54 5.997 6.953 0.838 1.00 0.00 O ATOM 855 NE2 GLN A 54 4.959 5.837 -0.724 1.00 0.00 N ATOM 0 H GLN A 54 7.529 8.880 -3.239 1.00 0.00 H new ATOM 0 HA GLN A 54 6.170 10.726 -1.507 1.00 0.00 H new ATOM 0 HB2 GLN A 54 7.954 8.323 -0.892 1.00 0.00 H new ATOM 0 HB3 GLN A 54 6.912 9.119 0.271 1.00 0.00 H new ATOM 0 HG2 GLN A 54 4.951 8.673 -1.349 1.00 0.00 H new ATOM 0 HG3 GLN A 54 6.046 7.667 -2.276 1.00 0.00 H new ATOM 0 HE21 GLN A 54 4.626 5.788 -1.687 1.00 0.00 H new ATOM 0 HE22 GLN A 54 4.790 5.059 -0.086 1.00 0.00 H new ATOM 864 N PHE A 55 9.399 10.910 -1.619 1.00 0.00 N ATOM 865 CA PHE A 55 10.575 11.696 -1.143 1.00 0.00 C ATOM 866 C PHE A 55 10.443 13.179 -1.507 1.00 0.00 C ATOM 867 O PHE A 55 10.595 14.037 -0.666 1.00 0.00 O ATOM 868 CB PHE A 55 11.852 11.148 -1.791 1.00 0.00 C ATOM 869 CG PHE A 55 13.043 11.624 -0.999 1.00 0.00 C ATOM 870 CD1 PHE A 55 13.373 10.999 0.209 1.00 0.00 C ATOM 871 CD2 PHE A 55 13.808 12.698 -1.464 1.00 0.00 C ATOM 872 CE1 PHE A 55 14.468 11.449 0.954 1.00 0.00 C ATOM 873 CE2 PHE A 55 14.906 13.149 -0.722 1.00 0.00 C ATOM 874 CZ PHE A 55 15.236 12.525 0.489 1.00 0.00 C ATOM 0 H PHE A 55 9.592 10.275 -2.393 1.00 0.00 H new ATOM 0 HA PHE A 55 10.621 11.603 -0.058 1.00 0.00 H new ATOM 0 HB2 PHE A 55 11.826 10.059 -1.814 1.00 0.00 H new ATOM 0 HB3 PHE A 55 11.926 11.487 -2.824 1.00 0.00 H new ATOM 0 HD1 PHE A 55 12.782 10.169 0.566 1.00 0.00 H new ATOM 0 HD2 PHE A 55 13.552 13.180 -2.396 1.00 0.00 H new ATOM 0 HE1 PHE A 55 14.721 10.968 1.887 1.00 0.00 H new ATOM 0 HE2 PHE A 55 15.498 13.977 -1.082 1.00 0.00 H new ATOM 0 HZ PHE A 55 16.082 12.873 1.063 1.00 0.00 H new ATOM 884 N TYR A 56 10.183 13.496 -2.749 1.00 0.00 N ATOM 885 CA TYR A 56 10.073 14.938 -3.138 1.00 0.00 C ATOM 886 C TYR A 56 8.772 15.556 -2.582 1.00 0.00 C ATOM 887 O TYR A 56 8.774 16.695 -2.159 1.00 0.00 O ATOM 888 CB TYR A 56 10.156 15.097 -4.677 1.00 0.00 C ATOM 889 CG TYR A 56 8.834 14.806 -5.358 1.00 0.00 C ATOM 890 CD1 TYR A 56 7.737 15.653 -5.163 1.00 0.00 C ATOM 891 CD2 TYR A 56 8.715 13.697 -6.212 1.00 0.00 C ATOM 892 CE1 TYR A 56 6.524 15.394 -5.809 1.00 0.00 C ATOM 893 CE2 TYR A 56 7.500 13.442 -6.860 1.00 0.00 C ATOM 894 CZ TYR A 56 6.405 14.287 -6.657 1.00 0.00 C ATOM 895 OH TYR A 56 5.208 14.033 -7.297 1.00 0.00 O ATOM 0 H TYR A 56 10.043 12.827 -3.506 1.00 0.00 H new ATOM 0 HA TYR A 56 10.913 15.478 -2.700 1.00 0.00 H new ATOM 0 HB2 TYR A 56 10.471 16.112 -4.919 1.00 0.00 H new ATOM 0 HB3 TYR A 56 10.920 14.425 -5.069 1.00 0.00 H new ATOM 0 HD1 TYR A 56 7.828 16.510 -4.511 1.00 0.00 H new ATOM 0 HD2 TYR A 56 9.559 13.042 -6.369 1.00 0.00 H new ATOM 0 HE1 TYR A 56 5.679 16.048 -5.653 1.00 0.00 H new ATOM 0 HE2 TYR A 56 7.409 12.591 -7.518 1.00 0.00 H new ATOM 0 HH TYR A 56 5.296 13.228 -7.849 1.00 0.00 H new ATOM 905 N SER A 57 7.654 14.846 -2.567 1.00 0.00 N ATOM 906 CA SER A 57 6.412 15.468 -2.027 1.00 0.00 C ATOM 907 C SER A 57 6.544 15.646 -0.512 1.00 0.00 C ATOM 908 O SER A 57 6.213 16.678 0.036 1.00 0.00 O ATOM 909 CB SER A 57 5.214 14.566 -2.332 1.00 0.00 C ATOM 910 OG SER A 57 4.038 15.356 -2.426 1.00 0.00 O ATOM 0 H SER A 57 7.560 13.886 -2.900 1.00 0.00 H new ATOM 0 HA SER A 57 6.263 16.441 -2.495 1.00 0.00 H new ATOM 0 HB2 SER A 57 5.379 14.028 -3.265 1.00 0.00 H new ATOM 0 HB3 SER A 57 5.100 13.817 -1.548 1.00 0.00 H new ATOM 0 HG SER A 57 3.271 14.779 -2.623 1.00 0.00 H new ATOM 916 N HIS A 58 7.018 14.640 0.168 1.00 0.00 N ATOM 917 CA HIS A 58 7.169 14.731 1.649 1.00 0.00 C ATOM 918 C HIS A 58 8.299 15.699 2.014 1.00 0.00 C ATOM 919 O HIS A 58 8.285 16.312 3.064 1.00 0.00 O ATOM 920 CB HIS A 58 7.488 13.346 2.211 1.00 0.00 C ATOM 921 CG HIS A 58 6.904 13.218 3.591 1.00 0.00 C ATOM 922 ND1 HIS A 58 6.022 12.203 3.930 1.00 0.00 N ATOM 923 CD2 HIS A 58 7.066 13.970 4.729 1.00 0.00 C ATOM 924 CE1 HIS A 58 5.689 12.372 5.223 1.00 0.00 C ATOM 925 NE2 HIS A 58 6.298 13.433 5.757 1.00 0.00 N ATOM 0 H HIS A 58 7.310 13.752 -0.240 1.00 0.00 H new ATOM 0 HA HIS A 58 6.237 15.101 2.076 1.00 0.00 H new ATOM 0 HB2 HIS A 58 7.079 12.574 1.559 1.00 0.00 H new ATOM 0 HB3 HIS A 58 8.567 13.196 2.246 1.00 0.00 H new ATOM 0 HD2 HIS A 58 7.694 14.845 4.813 1.00 0.00 H new ATOM 0 HE1 HIS A 58 5.011 11.727 5.763 1.00 0.00 H new ATOM 0 HE2 HIS A 58 6.217 13.776 6.714 1.00 0.00 H new ATOM 933 N HIS A 59 9.289 15.831 1.172 1.00 0.00 N ATOM 934 CA HIS A 59 10.421 16.742 1.491 1.00 0.00 C ATOM 935 C HIS A 59 9.944 18.193 1.492 1.00 0.00 C ATOM 936 O HIS A 59 10.458 19.009 2.231 1.00 0.00 O ATOM 937 CB HIS A 59 11.516 16.567 0.443 1.00 0.00 C ATOM 938 CG HIS A 59 12.703 15.878 1.062 1.00 0.00 C ATOM 939 ND1 HIS A 59 13.918 16.519 1.243 1.00 0.00 N ATOM 940 CD2 HIS A 59 12.878 14.601 1.545 1.00 0.00 C ATOM 941 CE1 HIS A 59 14.762 15.640 1.813 1.00 0.00 C ATOM 942 NE2 HIS A 59 14.179 14.456 2.019 1.00 0.00 N ATOM 0 H HIS A 59 9.361 15.346 0.277 1.00 0.00 H new ATOM 0 HA HIS A 59 10.811 16.497 2.479 1.00 0.00 H new ATOM 0 HB2 HIS A 59 11.140 15.982 -0.396 1.00 0.00 H new ATOM 0 HB3 HIS A 59 11.812 17.538 0.047 1.00 0.00 H new ATOM 0 HD1 HIS A 59 14.134 17.483 0.990 1.00 0.00 H new ATOM 0 HD2 HIS A 59 12.122 13.830 1.555 1.00 0.00 H new ATOM 0 HE1 HIS A 59 15.786 15.864 2.072 1.00 0.00 H new ATOM 950 N GLU A 60 8.966 18.526 0.681 1.00 0.00 N ATOM 951 CA GLU A 60 8.463 19.934 0.663 1.00 0.00 C ATOM 952 C GLU A 60 8.397 20.433 2.105 1.00 0.00 C ATOM 953 O GLU A 60 8.619 21.592 2.395 1.00 0.00 O ATOM 954 CB GLU A 60 7.072 19.976 0.028 1.00 0.00 C ATOM 955 CG GLU A 60 7.205 19.833 -1.490 1.00 0.00 C ATOM 956 CD GLU A 60 6.039 20.547 -2.175 1.00 0.00 C ATOM 957 OE1 GLU A 60 4.911 20.137 -1.960 1.00 0.00 O ATOM 958 OE2 GLU A 60 6.295 21.491 -2.903 1.00 0.00 O ATOM 0 H GLU A 60 8.499 17.888 0.037 1.00 0.00 H new ATOM 0 HA GLU A 60 9.129 20.569 0.078 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.453 19.173 0.428 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.575 20.914 0.274 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.152 20.257 -1.824 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.213 18.779 -1.767 1.00 0.00 H new ATOM 965 N LYS A 61 8.140 19.532 3.011 1.00 0.00 N ATOM 966 CA LYS A 61 8.106 19.891 4.455 1.00 0.00 C ATOM 967 C LYS A 61 9.442 19.443 5.057 1.00 0.00 C ATOM 968 O LYS A 61 10.487 19.709 4.500 1.00 0.00 O ATOM 969 CB LYS A 61 6.946 19.165 5.140 1.00 0.00 C ATOM 970 CG LYS A 61 5.623 19.623 4.524 1.00 0.00 C ATOM 971 CD LYS A 61 5.023 20.744 5.375 1.00 0.00 C ATOM 972 CE LYS A 61 3.957 20.162 6.307 1.00 0.00 C ATOM 973 NZ LYS A 61 3.895 20.972 7.557 1.00 0.00 N ATOM 0 H LYS A 61 7.950 18.550 2.809 1.00 0.00 H new ATOM 0 HA LYS A 61 7.961 20.962 4.593 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.059 18.087 5.025 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.953 19.374 6.210 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.787 19.974 3.505 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.928 18.785 4.465 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.805 21.231 5.958 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.583 21.507 4.733 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.986 20.163 5.812 1.00 0.00 H new ATOM 0 HE3 LYS A 61 4.193 19.125 6.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.171 20.577 8.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.820 20.949 8.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.650 21.955 7.322 1.00 0.00 H new ATOM 987 N ASP A 62 9.442 18.756 6.170 1.00 0.00 N ATOM 988 CA ASP A 62 10.742 18.310 6.732 1.00 0.00 C ATOM 989 C ASP A 62 11.618 19.533 6.983 1.00 0.00 C ATOM 990 O ASP A 62 12.819 19.505 6.801 1.00 0.00 O ATOM 991 CB ASP A 62 11.432 17.377 5.732 1.00 0.00 C ATOM 992 CG ASP A 62 12.346 16.407 6.484 1.00 0.00 C ATOM 993 OD1 ASP A 62 13.409 16.830 6.905 1.00 0.00 O ATOM 994 OD2 ASP A 62 11.966 15.256 6.623 1.00 0.00 O ATOM 0 H ASP A 62 8.613 18.491 6.702 1.00 0.00 H new ATOM 0 HA ASP A 62 10.581 17.777 7.669 1.00 0.00 H new ATOM 0 HB2 ASP A 62 10.687 16.823 5.162 1.00 0.00 H new ATOM 0 HB3 ASP A 62 12.012 17.959 5.016 1.00 0.00 H new ATOM 999 N THR A 63 11.016 20.608 7.401 1.00 0.00 N ATOM 1000 CA THR A 63 11.793 21.850 7.669 1.00 0.00 C ATOM 1001 C THR A 63 13.057 21.496 8.450 1.00 0.00 C ATOM 1002 O THR A 63 14.049 22.195 8.397 1.00 0.00 O ATOM 1003 CB THR A 63 10.939 22.820 8.490 1.00 0.00 C ATOM 1004 OG1 THR A 63 9.568 22.479 8.345 1.00 0.00 O ATOM 1005 CG2 THR A 63 11.168 24.249 7.996 1.00 0.00 C ATOM 0 H THR A 63 10.013 20.682 7.570 1.00 0.00 H new ATOM 0 HA THR A 63 12.067 22.320 6.725 1.00 0.00 H new ATOM 0 HB THR A 63 11.221 22.754 9.541 1.00 0.00 H new ATOM 0 HG1 THR A 63 9.020 23.098 8.871 1.00 0.00 H new ATOM 0 HG21 THR A 63 10.559 24.938 8.581 1.00 0.00 H new ATOM 0 HG22 THR A 63 12.221 24.509 8.109 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.887 24.320 6.945 1.00 0.00 H new ATOM 1013 N ARG A 64 13.025 20.414 9.178 1.00 0.00 N ATOM 1014 CA ARG A 64 14.222 20.004 9.969 1.00 0.00 C ATOM 1015 C ARG A 64 15.492 20.219 9.139 1.00 0.00 C ATOM 1016 O ARG A 64 16.431 20.854 9.577 1.00 0.00 O ATOM 1017 CB ARG A 64 14.103 18.526 10.345 1.00 0.00 C ATOM 1018 CG ARG A 64 15.196 18.168 11.353 1.00 0.00 C ATOM 1019 CD ARG A 64 14.869 16.822 12.004 1.00 0.00 C ATOM 1020 NE ARG A 64 16.048 15.919 11.898 1.00 0.00 N ATOM 1021 CZ ARG A 64 16.302 15.061 12.847 1.00 0.00 C ATOM 1022 NH1 ARG A 64 15.364 14.254 13.265 1.00 0.00 N ATOM 1023 NH2 ARG A 64 17.492 15.008 13.380 1.00 0.00 N ATOM 0 H ARG A 64 12.220 19.794 9.260 1.00 0.00 H new ATOM 0 HA ARG A 64 14.278 20.608 10.874 1.00 0.00 H new ATOM 0 HB2 ARG A 64 13.120 18.326 10.772 1.00 0.00 H new ATOM 0 HB3 ARG A 64 14.197 17.904 9.455 1.00 0.00 H new ATOM 0 HG2 ARG A 64 16.164 18.117 10.854 1.00 0.00 H new ATOM 0 HG3 ARG A 64 15.271 18.944 12.115 1.00 0.00 H new ATOM 0 HD2 ARG A 64 14.602 16.968 13.051 1.00 0.00 H new ATOM 0 HD3 ARG A 64 14.006 16.370 11.515 1.00 0.00 H new ATOM 0 HE ARG A 64 16.658 15.971 11.082 1.00 0.00 H new ATOM 0 HH11 ARG A 64 14.433 14.295 12.849 1.00 0.00 H new ATOM 0 HH12 ARG A 64 15.562 13.583 14.007 1.00 0.00 H new ATOM 0 HH21 ARG A 64 18.225 15.638 13.055 1.00 0.00 H new ATOM 0 HH22 ARG A 64 17.689 14.336 14.122 1.00 0.00 H new ATOM 1037 N CYS A 65 15.530 19.695 7.943 1.00 0.00 N ATOM 1038 CA CYS A 65 16.739 19.873 7.089 1.00 0.00 C ATOM 1039 C CYS A 65 16.326 20.466 5.742 1.00 0.00 C ATOM 1040 O CYS A 65 16.683 19.963 4.695 1.00 0.00 O ATOM 1041 CB CYS A 65 17.411 18.516 6.864 1.00 0.00 C ATOM 1042 SG CYS A 65 19.036 18.766 6.105 1.00 0.00 S ATOM 0 H CYS A 65 14.777 19.152 7.521 1.00 0.00 H new ATOM 0 HA CYS A 65 17.438 20.546 7.585 1.00 0.00 H new ATOM 0 HB2 CYS A 65 17.518 17.989 7.812 1.00 0.00 H new ATOM 0 HB3 CYS A 65 16.790 17.892 6.221 1.00 0.00 H new ATOM 1047 N LEU A 66 15.575 21.535 5.757 1.00 0.00 N ATOM 1048 CA LEU A 66 15.139 22.157 4.476 1.00 0.00 C ATOM 1049 C LEU A 66 16.264 23.027 3.915 1.00 0.00 C ATOM 1050 O LEU A 66 16.721 22.829 2.806 1.00 0.00 O ATOM 1051 CB LEU A 66 13.905 23.028 4.723 1.00 0.00 C ATOM 1052 CG LEU A 66 12.644 22.271 4.297 1.00 0.00 C ATOM 1053 CD1 LEU A 66 11.431 23.197 4.406 1.00 0.00 C ATOM 1054 CD2 LEU A 66 12.793 21.801 2.849 1.00 0.00 C ATOM 0 H LEU A 66 15.246 22.003 6.601 1.00 0.00 H new ATOM 0 HA LEU A 66 14.896 21.370 3.761 1.00 0.00 H new ATOM 0 HB2 LEU A 66 13.842 23.295 5.778 1.00 0.00 H new ATOM 0 HB3 LEU A 66 13.988 23.960 4.163 1.00 0.00 H new ATOM 0 HG LEU A 66 12.504 21.408 4.948 1.00 0.00 H new ATOM 0 HD11 LEU A 66 10.533 22.658 4.103 1.00 0.00 H new ATOM 0 HD12 LEU A 66 11.321 23.533 5.437 1.00 0.00 H new ATOM 0 HD13 LEU A 66 11.573 24.060 3.756 1.00 0.00 H new ATOM 0 HD21 LEU A 66 11.895 21.262 2.547 1.00 0.00 H new ATOM 0 HD22 LEU A 66 12.934 22.664 2.199 1.00 0.00 H new ATOM 0 HD23 LEU A 66 13.657 21.141 2.768 1.00 0.00 H new ATOM 1066 N GLY A 67 16.714 23.995 4.668 1.00 0.00 N ATOM 1067 CA GLY A 67 17.804 24.878 4.166 1.00 0.00 C ATOM 1068 C GLY A 67 17.962 26.087 5.102 1.00 0.00 C ATOM 1069 O GLY A 67 17.491 27.165 4.799 1.00 0.00 O ATOM 0 H GLY A 67 16.375 24.211 5.605 1.00 0.00 H new ATOM 0 HA2 GLY A 67 18.740 24.322 4.113 1.00 0.00 H new ATOM 0 HA3 GLY A 67 17.576 25.216 3.155 1.00 0.00 H new ATOM 1073 N ALA A 68 18.616 25.931 6.237 1.00 0.00 N ATOM 1074 CA ALA A 68 18.785 27.092 7.160 1.00 0.00 C ATOM 1075 C ALA A 68 19.140 28.338 6.344 1.00 0.00 C ATOM 1076 O ALA A 68 18.843 29.451 6.729 1.00 0.00 O ATOM 1077 CB ALA A 68 19.910 26.795 8.154 1.00 0.00 C ATOM 0 H ALA A 68 19.033 25.056 6.555 1.00 0.00 H new ATOM 0 HA ALA A 68 17.857 27.264 7.705 1.00 0.00 H new ATOM 0 HB1 ALA A 68 20.033 27.643 8.828 1.00 0.00 H new ATOM 0 HB2 ALA A 68 19.659 25.905 8.732 1.00 0.00 H new ATOM 0 HB3 ALA A 68 20.840 26.625 7.611 1.00 0.00 H new ATOM 1083 N THR A 69 19.761 28.151 5.212 1.00 0.00 N ATOM 1084 CA THR A 69 20.126 29.312 4.356 1.00 0.00 C ATOM 1085 C THR A 69 18.929 29.656 3.458 1.00 0.00 C ATOM 1086 O THR A 69 18.577 28.884 2.591 1.00 0.00 O ATOM 1087 CB THR A 69 21.320 28.931 3.477 1.00 0.00 C ATOM 1088 OG1 THR A 69 21.428 27.516 3.417 1.00 0.00 O ATOM 1089 CG2 THR A 69 22.600 29.517 4.071 1.00 0.00 C ATOM 0 H THR A 69 20.032 27.240 4.843 1.00 0.00 H new ATOM 0 HA THR A 69 20.387 30.169 4.977 1.00 0.00 H new ATOM 0 HB THR A 69 21.174 29.328 2.472 1.00 0.00 H new ATOM 0 HG1 THR A 69 21.882 27.188 4.221 1.00 0.00 H new ATOM 0 HG21 THR A 69 23.450 29.245 3.444 1.00 0.00 H new ATOM 0 HG22 THR A 69 22.516 30.603 4.117 1.00 0.00 H new ATOM 0 HG23 THR A 69 22.749 29.122 5.076 1.00 0.00 H new ATOM 1097 N ALA A 70 18.290 30.794 3.631 1.00 0.00 N ATOM 1098 CA ALA A 70 17.138 31.111 2.748 1.00 0.00 C ATOM 1099 C ALA A 70 17.562 30.857 1.304 1.00 0.00 C ATOM 1100 O ALA A 70 16.757 30.521 0.459 1.00 0.00 O ATOM 1101 CB ALA A 70 16.745 32.579 2.922 1.00 0.00 C ATOM 0 H ALA A 70 18.517 31.498 4.333 1.00 0.00 H new ATOM 0 HA ALA A 70 16.282 30.487 3.004 1.00 0.00 H new ATOM 0 HB1 ALA A 70 15.900 32.809 2.273 1.00 0.00 H new ATOM 0 HB2 ALA A 70 16.466 32.760 3.960 1.00 0.00 H new ATOM 0 HB3 ALA A 70 17.589 33.216 2.657 1.00 0.00 H new ATOM 1107 N GLN A 71 18.828 31.000 1.018 1.00 0.00 N ATOM 1108 CA GLN A 71 19.304 30.750 -0.372 1.00 0.00 C ATOM 1109 C GLN A 71 19.224 29.249 -0.658 1.00 0.00 C ATOM 1110 O GLN A 71 18.751 28.828 -1.694 1.00 0.00 O ATOM 1111 CB GLN A 71 20.752 31.225 -0.514 1.00 0.00 C ATOM 1112 CG GLN A 71 21.313 30.760 -1.860 1.00 0.00 C ATOM 1113 CD GLN A 71 20.378 31.204 -2.985 1.00 0.00 C ATOM 1114 OE1 GLN A 71 20.237 30.522 -3.980 1.00 0.00 O ATOM 1115 NE2 GLN A 71 19.727 32.330 -2.869 1.00 0.00 N ATOM 0 H GLN A 71 19.550 31.278 1.683 1.00 0.00 H new ATOM 0 HA GLN A 71 18.681 31.296 -1.080 1.00 0.00 H new ATOM 0 HB2 GLN A 71 20.798 32.312 -0.445 1.00 0.00 H new ATOM 0 HB3 GLN A 71 21.358 30.828 0.301 1.00 0.00 H new ATOM 0 HG2 GLN A 71 22.308 31.177 -2.014 1.00 0.00 H new ATOM 0 HG3 GLN A 71 21.417 29.675 -1.867 1.00 0.00 H new ATOM 0 HE21 GLN A 71 19.845 32.903 -2.034 1.00 0.00 H new ATOM 0 HE22 GLN A 71 19.101 32.636 -3.614 1.00 0.00 H new ATOM 1124 N GLN A 72 19.675 28.441 0.263 1.00 0.00 N ATOM 1125 CA GLN A 72 19.619 26.968 0.056 1.00 0.00 C ATOM 1126 C GLN A 72 18.161 26.539 -0.111 1.00 0.00 C ATOM 1127 O GLN A 72 17.858 25.577 -0.786 1.00 0.00 O ATOM 1128 CB GLN A 72 20.229 26.260 1.269 1.00 0.00 C ATOM 1129 CG GLN A 72 20.409 24.773 0.953 1.00 0.00 C ATOM 1130 CD GLN A 72 20.841 24.029 2.219 1.00 0.00 C ATOM 1131 OE1 GLN A 72 21.323 24.633 3.157 1.00 0.00 O ATOM 1132 NE2 GLN A 72 20.686 22.736 2.285 1.00 0.00 N ATOM 0 H GLN A 72 20.080 28.739 1.150 1.00 0.00 H new ATOM 0 HA GLN A 72 20.182 26.700 -0.838 1.00 0.00 H new ATOM 0 HB2 GLN A 72 21.190 26.709 1.520 1.00 0.00 H new ATOM 0 HB3 GLN A 72 19.583 26.383 2.138 1.00 0.00 H new ATOM 0 HG2 GLN A 72 19.476 24.356 0.574 1.00 0.00 H new ATOM 0 HG3 GLN A 72 21.157 24.645 0.170 1.00 0.00 H new ATOM 0 HE21 GLN A 72 20.281 22.230 1.497 1.00 0.00 H new ATOM 0 HE22 GLN A 72 20.969 22.231 3.124 1.00 0.00 H new ATOM 1141 N PHE A 73 17.254 27.251 0.504 1.00 0.00 N ATOM 1142 CA PHE A 73 15.814 26.892 0.384 1.00 0.00 C ATOM 1143 C PHE A 73 15.413 26.894 -1.090 1.00 0.00 C ATOM 1144 O PHE A 73 14.671 26.044 -1.542 1.00 0.00 O ATOM 1145 CB PHE A 73 14.970 27.915 1.149 1.00 0.00 C ATOM 1146 CG PHE A 73 13.506 27.582 0.985 1.00 0.00 C ATOM 1147 CD1 PHE A 73 13.037 26.305 1.320 1.00 0.00 C ATOM 1148 CD2 PHE A 73 12.617 28.549 0.500 1.00 0.00 C ATOM 1149 CE1 PHE A 73 11.681 25.997 1.171 1.00 0.00 C ATOM 1150 CE2 PHE A 73 11.260 28.238 0.349 1.00 0.00 C ATOM 1151 CZ PHE A 73 10.791 26.963 0.685 1.00 0.00 C ATOM 0 H PHE A 73 17.450 28.066 1.085 1.00 0.00 H new ATOM 0 HA PHE A 73 15.647 25.900 0.803 1.00 0.00 H new ATOM 0 HB2 PHE A 73 15.240 27.908 2.205 1.00 0.00 H new ATOM 0 HB3 PHE A 73 15.170 28.919 0.776 1.00 0.00 H new ATOM 0 HD1 PHE A 73 13.723 25.559 1.693 1.00 0.00 H new ATOM 0 HD2 PHE A 73 12.978 29.534 0.243 1.00 0.00 H new ATOM 0 HE1 PHE A 73 11.320 25.013 1.431 1.00 0.00 H new ATOM 0 HE2 PHE A 73 10.575 28.983 -0.027 1.00 0.00 H new ATOM 0 HZ PHE A 73 9.744 26.724 0.570 1.00 0.00 H new ATOM 1161 N HIS A 74 15.892 27.844 -1.848 1.00 0.00 N ATOM 1162 CA HIS A 74 15.532 27.889 -3.294 1.00 0.00 C ATOM 1163 C HIS A 74 15.964 26.598 -3.961 1.00 0.00 C ATOM 1164 O HIS A 74 15.331 26.096 -4.869 1.00 0.00 O ATOM 1165 CB HIS A 74 16.240 29.070 -3.953 1.00 0.00 C ATOM 1166 CG HIS A 74 15.251 29.864 -4.760 1.00 0.00 C ATOM 1167 ND1 HIS A 74 14.063 29.317 -5.220 1.00 0.00 N ATOM 1168 CD2 HIS A 74 15.258 31.166 -5.197 1.00 0.00 C ATOM 1169 CE1 HIS A 74 13.411 30.277 -5.899 1.00 0.00 C ATOM 1170 NE2 HIS A 74 14.095 31.424 -5.917 1.00 0.00 N ATOM 0 H HIS A 74 16.514 28.587 -1.530 1.00 0.00 H new ATOM 0 HA HIS A 74 14.454 28.007 -3.401 1.00 0.00 H new ATOM 0 HB2 HIS A 74 16.696 29.704 -3.193 1.00 0.00 H new ATOM 0 HB3 HIS A 74 17.045 28.712 -4.595 1.00 0.00 H new ATOM 0 HD2 HIS A 74 16.046 31.881 -5.010 1.00 0.00 H new ATOM 0 HE1 HIS A 74 12.450 30.138 -6.373 1.00 0.00 H new ATOM 0 HE2 HIS A 74 13.824 32.300 -6.363 1.00 0.00 H new ATOM 1178 N ARG A 75 17.033 26.067 -3.498 1.00 0.00 N ATOM 1179 CA ARG A 75 17.556 24.792 -4.061 1.00 0.00 C ATOM 1180 C ARG A 75 16.611 23.656 -3.669 1.00 0.00 C ATOM 1181 O ARG A 75 16.468 22.681 -4.376 1.00 0.00 O ATOM 1182 CB ARG A 75 18.952 24.514 -3.498 1.00 0.00 C ATOM 1183 CG ARG A 75 19.994 25.262 -4.332 1.00 0.00 C ATOM 1184 CD ARG A 75 20.896 24.252 -5.044 1.00 0.00 C ATOM 1185 NE ARG A 75 21.996 23.835 -4.129 1.00 0.00 N ATOM 1186 CZ ARG A 75 22.863 24.714 -3.709 1.00 0.00 C ATOM 1187 NH1 ARG A 75 23.789 25.156 -4.516 1.00 0.00 N ATOM 1188 NH2 ARG A 75 22.806 25.154 -2.481 1.00 0.00 N ATOM 0 H ARG A 75 17.589 26.459 -2.738 1.00 0.00 H new ATOM 0 HA ARG A 75 17.618 24.866 -5.147 1.00 0.00 H new ATOM 0 HB2 ARG A 75 19.006 24.832 -2.457 1.00 0.00 H new ATOM 0 HB3 ARG A 75 19.157 23.444 -3.515 1.00 0.00 H new ATOM 0 HG2 ARG A 75 19.500 25.903 -5.062 1.00 0.00 H new ATOM 0 HG3 ARG A 75 20.591 25.911 -3.691 1.00 0.00 H new ATOM 0 HD2 ARG A 75 20.315 23.382 -5.351 1.00 0.00 H new ATOM 0 HD3 ARG A 75 21.310 24.694 -5.950 1.00 0.00 H new ATOM 0 HE ARG A 75 22.071 22.862 -3.831 1.00 0.00 H new ATOM 0 HH11 ARG A 75 23.835 24.814 -5.476 1.00 0.00 H new ATOM 0 HH12 ARG A 75 24.467 25.844 -4.187 1.00 0.00 H new ATOM 0 HH21 ARG A 75 22.083 24.810 -1.849 1.00 0.00 H new ATOM 0 HH22 ARG A 75 23.485 25.841 -2.154 1.00 0.00 H new ATOM 1202 N HIS A 76 15.963 23.783 -2.545 1.00 0.00 N ATOM 1203 CA HIS A 76 15.022 22.719 -2.098 1.00 0.00 C ATOM 1204 C HIS A 76 13.871 22.601 -3.103 1.00 0.00 C ATOM 1205 O HIS A 76 13.511 21.519 -3.522 1.00 0.00 O ATOM 1206 CB HIS A 76 14.464 23.080 -0.712 1.00 0.00 C ATOM 1207 CG HIS A 76 13.241 22.252 -0.415 1.00 0.00 C ATOM 1208 ND1 HIS A 76 13.286 20.871 -0.312 1.00 0.00 N ATOM 1209 CD2 HIS A 76 11.932 22.602 -0.196 1.00 0.00 C ATOM 1210 CE1 HIS A 76 12.037 20.444 -0.042 1.00 0.00 C ATOM 1211 NE2 HIS A 76 11.174 21.459 0.040 1.00 0.00 N ATOM 0 H HIS A 76 16.045 24.581 -1.915 1.00 0.00 H new ATOM 0 HA HIS A 76 15.548 21.766 -2.039 1.00 0.00 H new ATOM 0 HB2 HIS A 76 15.223 22.908 0.051 1.00 0.00 H new ATOM 0 HB3 HIS A 76 14.212 24.140 -0.677 1.00 0.00 H new ATOM 0 HD1 HIS A 76 14.114 20.285 -0.421 1.00 0.00 H new ATOM 0 HD2 HIS A 76 11.548 23.612 -0.205 1.00 0.00 H new ATOM 0 HE1 HIS A 76 11.767 19.407 0.092 1.00 0.00 H new ATOM 1219 N LYS A 77 13.286 23.702 -3.487 1.00 0.00 N ATOM 1220 CA LYS A 77 12.155 23.643 -4.457 1.00 0.00 C ATOM 1221 C LYS A 77 12.663 23.214 -5.838 1.00 0.00 C ATOM 1222 O LYS A 77 11.946 22.604 -6.607 1.00 0.00 O ATOM 1223 CB LYS A 77 11.505 25.023 -4.562 1.00 0.00 C ATOM 1224 CG LYS A 77 10.823 25.368 -3.237 1.00 0.00 C ATOM 1225 CD LYS A 77 11.466 26.624 -2.644 1.00 0.00 C ATOM 1226 CE LYS A 77 10.816 27.866 -3.254 1.00 0.00 C ATOM 1227 NZ LYS A 77 11.593 29.077 -2.862 1.00 0.00 N ATOM 0 H LYS A 77 13.541 24.638 -3.172 1.00 0.00 H new ATOM 0 HA LYS A 77 11.424 22.915 -4.106 1.00 0.00 H new ATOM 0 HB2 LYS A 77 12.258 25.774 -4.802 1.00 0.00 H new ATOM 0 HB3 LYS A 77 10.776 25.032 -5.372 1.00 0.00 H new ATOM 0 HG2 LYS A 77 9.757 25.533 -3.396 1.00 0.00 H new ATOM 0 HG3 LYS A 77 10.916 24.535 -2.540 1.00 0.00 H new ATOM 0 HD2 LYS A 77 11.344 26.631 -1.561 1.00 0.00 H new ATOM 0 HD3 LYS A 77 12.538 26.626 -2.844 1.00 0.00 H new ATOM 0 HE2 LYS A 77 10.784 27.777 -4.340 1.00 0.00 H new ATOM 0 HE3 LYS A 77 9.785 27.956 -2.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 11.015 29.927 -3.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 11.848 29.015 -1.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 12.459 29.135 -3.436 1.00 0.00 H new ATOM 1241 N GLN A 78 13.884 23.537 -6.167 1.00 0.00 N ATOM 1242 CA GLN A 78 14.421 23.159 -7.506 1.00 0.00 C ATOM 1243 C GLN A 78 14.635 21.643 -7.588 1.00 0.00 C ATOM 1244 O GLN A 78 14.318 21.020 -8.579 1.00 0.00 O ATOM 1245 CB GLN A 78 15.756 23.872 -7.732 1.00 0.00 C ATOM 1246 CG GLN A 78 16.338 23.450 -9.084 1.00 0.00 C ATOM 1247 CD GLN A 78 15.545 24.114 -10.211 1.00 0.00 C ATOM 1248 OE1 GLN A 78 14.492 23.640 -10.589 1.00 0.00 O ATOM 1249 NE2 GLN A 78 16.008 25.200 -10.766 1.00 0.00 N ATOM 0 H GLN A 78 14.533 24.046 -5.567 1.00 0.00 H new ATOM 0 HA GLN A 78 13.704 23.455 -8.272 1.00 0.00 H new ATOM 0 HB2 GLN A 78 15.612 24.952 -7.707 1.00 0.00 H new ATOM 0 HB3 GLN A 78 16.453 23.625 -6.931 1.00 0.00 H new ATOM 0 HG2 GLN A 78 17.388 23.737 -9.146 1.00 0.00 H new ATOM 0 HG3 GLN A 78 16.298 22.366 -9.187 1.00 0.00 H new ATOM 0 HE21 GLN A 78 16.892 25.598 -10.449 1.00 0.00 H new ATOM 0 HE22 GLN A 78 15.486 25.651 -11.517 1.00 0.00 H new ATOM 1258 N LEU A 79 15.183 21.048 -6.564 1.00 0.00 N ATOM 1259 CA LEU A 79 15.424 19.580 -6.594 1.00 0.00 C ATOM 1260 C LEU A 79 14.100 18.839 -6.503 1.00 0.00 C ATOM 1261 O LEU A 79 13.882 17.901 -7.218 1.00 0.00 O ATOM 1262 CB LEU A 79 16.330 19.176 -5.430 1.00 0.00 C ATOM 1263 CG LEU A 79 17.750 19.685 -5.688 1.00 0.00 C ATOM 1264 CD1 LEU A 79 18.156 20.655 -4.576 1.00 0.00 C ATOM 1265 CD2 LEU A 79 18.720 18.503 -5.713 1.00 0.00 C ATOM 0 H LEU A 79 15.474 21.517 -5.707 1.00 0.00 H new ATOM 0 HA LEU A 79 15.915 19.318 -7.531 1.00 0.00 H new ATOM 0 HB2 LEU A 79 15.948 19.590 -4.497 1.00 0.00 H new ATOM 0 HB3 LEU A 79 16.335 18.092 -5.319 1.00 0.00 H new ATOM 0 HG LEU A 79 17.781 20.200 -6.648 1.00 0.00 H new ATOM 0 HD11 LEU A 79 19.167 21.017 -4.760 1.00 0.00 H new ATOM 0 HD12 LEU A 79 17.466 21.499 -4.559 1.00 0.00 H new ATOM 0 HD13 LEU A 79 18.124 20.141 -3.615 1.00 0.00 H new ATOM 0 HD21 LEU A 79 19.731 18.866 -5.897 1.00 0.00 H new ATOM 0 HD22 LEU A 79 18.689 17.986 -4.754 1.00 0.00 H new ATOM 0 HD23 LEU A 79 18.432 17.813 -6.506 1.00 0.00 H new ATOM 1277 N ILE A 80 13.219 19.242 -5.634 1.00 0.00 N ATOM 1278 CA ILE A 80 11.906 18.534 -5.540 1.00 0.00 C ATOM 1279 C ILE A 80 11.116 18.782 -6.831 1.00 0.00 C ATOM 1280 O ILE A 80 10.329 17.958 -7.247 1.00 0.00 O ATOM 1281 CB ILE A 80 11.116 19.073 -4.340 1.00 0.00 C ATOM 1282 CG1 ILE A 80 11.630 18.425 -3.051 1.00 0.00 C ATOM 1283 CG2 ILE A 80 9.628 18.748 -4.501 1.00 0.00 C ATOM 1284 CD1 ILE A 80 13.158 18.442 -3.040 1.00 0.00 C ATOM 0 H ILE A 80 13.345 20.022 -4.989 1.00 0.00 H new ATOM 0 HA ILE A 80 12.070 17.465 -5.407 1.00 0.00 H new ATOM 0 HB ILE A 80 11.249 20.154 -4.290 1.00 0.00 H new ATOM 0 HG12 ILE A 80 11.244 18.962 -2.184 1.00 0.00 H new ATOM 0 HG13 ILE A 80 11.268 17.400 -2.978 1.00 0.00 H new ATOM 0 HG21 ILE A 80 9.076 19.135 -3.644 1.00 0.00 H new ATOM 0 HG22 ILE A 80 9.251 19.210 -5.414 1.00 0.00 H new ATOM 0 HG23 ILE A 80 9.496 17.668 -4.560 1.00 0.00 H new ATOM 0 HD11 ILE A 80 13.520 17.980 -2.122 1.00 0.00 H new ATOM 0 HD12 ILE A 80 13.534 17.886 -3.899 1.00 0.00 H new ATOM 0 HD13 ILE A 80 13.511 19.472 -3.092 1.00 0.00 H new ATOM 1296 N ARG A 81 11.322 19.904 -7.473 1.00 0.00 N ATOM 1297 CA ARG A 81 10.582 20.172 -8.737 1.00 0.00 C ATOM 1298 C ARG A 81 11.091 19.196 -9.788 1.00 0.00 C ATOM 1299 O ARG A 81 10.333 18.500 -10.435 1.00 0.00 O ATOM 1300 CB ARG A 81 10.849 21.606 -9.199 1.00 0.00 C ATOM 1301 CG ARG A 81 9.770 22.030 -10.199 1.00 0.00 C ATOM 1302 CD ARG A 81 10.107 21.468 -11.581 1.00 0.00 C ATOM 1303 NE ARG A 81 10.342 22.593 -12.530 1.00 0.00 N ATOM 1304 CZ ARG A 81 9.400 22.955 -13.357 1.00 0.00 C ATOM 1305 NH1 ARG A 81 8.956 22.114 -14.251 1.00 0.00 N ATOM 1306 NH2 ARG A 81 8.900 24.160 -13.291 1.00 0.00 N ATOM 0 H ARG A 81 11.965 20.638 -7.178 1.00 0.00 H new ATOM 0 HA ARG A 81 9.510 20.048 -8.584 1.00 0.00 H new ATOM 0 HB2 ARG A 81 10.852 22.281 -8.343 1.00 0.00 H new ATOM 0 HB3 ARG A 81 11.834 21.673 -9.661 1.00 0.00 H new ATOM 0 HG2 ARG A 81 8.795 21.666 -9.874 1.00 0.00 H new ATOM 0 HG3 ARG A 81 9.706 23.117 -10.242 1.00 0.00 H new ATOM 0 HD2 ARG A 81 10.993 20.836 -11.522 1.00 0.00 H new ATOM 0 HD3 ARG A 81 9.291 20.840 -11.939 1.00 0.00 H new ATOM 0 HE ARG A 81 11.239 23.079 -12.533 1.00 0.00 H new ATOM 0 HH11 ARG A 81 9.345 21.173 -14.304 1.00 0.00 H new ATOM 0 HH12 ARG A 81 8.220 22.398 -14.897 1.00 0.00 H new ATOM 0 HH21 ARG A 81 9.246 24.818 -12.593 1.00 0.00 H new ATOM 0 HH22 ARG A 81 8.164 24.443 -13.938 1.00 0.00 H new ATOM 1320 N PHE A 82 12.381 19.123 -9.933 1.00 0.00 N ATOM 1321 CA PHE A 82 12.979 18.186 -10.894 1.00 0.00 C ATOM 1322 C PHE A 82 12.736 16.766 -10.380 1.00 0.00 C ATOM 1323 O PHE A 82 12.614 15.831 -11.145 1.00 0.00 O ATOM 1324 CB PHE A 82 14.471 18.503 -10.985 1.00 0.00 C ATOM 1325 CG PHE A 82 14.705 19.502 -12.092 1.00 0.00 C ATOM 1326 CD1 PHE A 82 14.568 19.112 -13.430 1.00 0.00 C ATOM 1327 CD2 PHE A 82 15.057 20.821 -11.780 1.00 0.00 C ATOM 1328 CE1 PHE A 82 14.785 20.041 -14.455 1.00 0.00 C ATOM 1329 CE2 PHE A 82 15.274 21.750 -12.805 1.00 0.00 C ATOM 1330 CZ PHE A 82 15.138 21.358 -14.143 1.00 0.00 C ATOM 0 H PHE A 82 13.052 19.688 -9.412 1.00 0.00 H new ATOM 0 HA PHE A 82 12.540 18.275 -11.888 1.00 0.00 H new ATOM 0 HB2 PHE A 82 14.827 18.905 -10.036 1.00 0.00 H new ATOM 0 HB3 PHE A 82 15.037 17.591 -11.177 1.00 0.00 H new ATOM 0 HD1 PHE A 82 14.295 18.095 -13.671 1.00 0.00 H new ATOM 0 HD2 PHE A 82 15.161 21.122 -10.748 1.00 0.00 H new ATOM 0 HE1 PHE A 82 14.680 19.740 -15.487 1.00 0.00 H new ATOM 0 HE2 PHE A 82 15.546 22.767 -12.564 1.00 0.00 H new ATOM 0 HZ PHE A 82 15.306 22.073 -14.934 1.00 0.00 H new ATOM 1340 N LEU A 83 12.640 16.602 -9.082 1.00 0.00 N ATOM 1341 CA LEU A 83 12.375 15.262 -8.519 1.00 0.00 C ATOM 1342 C LEU A 83 10.987 14.821 -8.951 1.00 0.00 C ATOM 1343 O LEU A 83 10.729 13.663 -9.198 1.00 0.00 O ATOM 1344 CB LEU A 83 12.445 15.379 -7.003 1.00 0.00 C ATOM 1345 CG LEU A 83 13.886 15.183 -6.546 1.00 0.00 C ATOM 1346 CD1 LEU A 83 13.952 15.276 -5.021 1.00 0.00 C ATOM 1347 CD2 LEU A 83 14.390 13.806 -6.985 1.00 0.00 C ATOM 0 H LEU A 83 12.736 17.349 -8.394 1.00 0.00 H new ATOM 0 HA LEU A 83 13.102 14.529 -8.868 1.00 0.00 H new ATOM 0 HB2 LEU A 83 12.081 16.356 -6.685 1.00 0.00 H new ATOM 0 HB3 LEU A 83 11.800 14.632 -6.539 1.00 0.00 H new ATOM 0 HG LEU A 83 14.510 15.957 -6.993 1.00 0.00 H new ATOM 0 HD11 LEU A 83 14.982 15.136 -4.692 1.00 0.00 H new ATOM 0 HD12 LEU A 83 13.599 16.256 -4.701 1.00 0.00 H new ATOM 0 HD13 LEU A 83 13.323 14.502 -4.582 1.00 0.00 H new ATOM 0 HD21 LEU A 83 15.420 13.673 -6.655 1.00 0.00 H new ATOM 0 HD22 LEU A 83 13.764 13.031 -6.542 1.00 0.00 H new ATOM 0 HD23 LEU A 83 14.345 13.731 -8.072 1.00 0.00 H new ATOM 1359 N LYS A 84 10.104 15.761 -9.059 1.00 0.00 N ATOM 1360 CA LYS A 84 8.716 15.459 -9.498 1.00 0.00 C ATOM 1361 C LYS A 84 8.741 15.104 -10.982 1.00 0.00 C ATOM 1362 O LYS A 84 8.213 14.091 -11.394 1.00 0.00 O ATOM 1363 CB LYS A 84 7.828 16.685 -9.277 1.00 0.00 C ATOM 1364 CG LYS A 84 6.359 16.285 -9.438 1.00 0.00 C ATOM 1365 CD LYS A 84 5.806 16.881 -10.733 1.00 0.00 C ATOM 1366 CE LYS A 84 4.296 16.645 -10.801 1.00 0.00 C ATOM 1367 NZ LYS A 84 3.755 17.244 -12.052 1.00 0.00 N ATOM 0 H LYS A 84 10.284 16.745 -8.859 1.00 0.00 H new ATOM 0 HA LYS A 84 8.316 14.624 -8.922 1.00 0.00 H new ATOM 0 HB2 LYS A 84 7.997 17.096 -8.282 1.00 0.00 H new ATOM 0 HB3 LYS A 84 8.084 17.467 -9.992 1.00 0.00 H new ATOM 0 HG2 LYS A 84 6.267 15.199 -9.457 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.779 16.639 -8.586 1.00 0.00 H new ATOM 0 HD2 LYS A 84 6.020 17.949 -10.774 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.295 16.424 -11.594 1.00 0.00 H new ATOM 0 HE2 LYS A 84 4.083 15.576 -10.775 1.00 0.00 H new ATOM 0 HE3 LYS A 84 3.809 17.088 -9.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.728 17.083 -12.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 3.946 18.266 -12.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 4.212 16.801 -12.875 1.00 0.00 H new ATOM 1381 N ARG A 85 9.369 15.919 -11.793 1.00 0.00 N ATOM 1382 CA ARG A 85 9.430 15.592 -13.240 1.00 0.00 C ATOM 1383 C ARG A 85 9.980 14.184 -13.362 1.00 0.00 C ATOM 1384 O ARG A 85 9.651 13.435 -14.260 1.00 0.00 O ATOM 1385 CB ARG A 85 10.352 16.578 -13.962 1.00 0.00 C ATOM 1386 CG ARG A 85 10.508 16.153 -15.423 1.00 0.00 C ATOM 1387 CD ARG A 85 11.841 16.670 -15.967 1.00 0.00 C ATOM 1388 NE ARG A 85 11.891 16.460 -17.441 1.00 0.00 N ATOM 1389 CZ ARG A 85 12.720 17.155 -18.171 1.00 0.00 C ATOM 1390 NH1 ARG A 85 13.750 17.736 -17.618 1.00 0.00 N ATOM 1391 NH2 ARG A 85 12.520 17.272 -19.456 1.00 0.00 N ATOM 0 H ARG A 85 9.834 16.783 -11.516 1.00 0.00 H new ATOM 0 HA ARG A 85 8.441 15.661 -13.692 1.00 0.00 H new ATOM 0 HB2 ARG A 85 9.939 17.585 -13.907 1.00 0.00 H new ATOM 0 HB3 ARG A 85 11.326 16.606 -13.474 1.00 0.00 H new ATOM 0 HG2 ARG A 85 10.468 15.067 -15.503 1.00 0.00 H new ATOM 0 HG3 ARG A 85 9.684 16.547 -16.017 1.00 0.00 H new ATOM 0 HD2 ARG A 85 11.954 17.729 -15.736 1.00 0.00 H new ATOM 0 HD3 ARG A 85 12.669 16.149 -15.486 1.00 0.00 H new ATOM 0 HE ARG A 85 11.277 15.773 -17.880 1.00 0.00 H new ATOM 0 HH11 ARG A 85 13.908 17.647 -16.614 1.00 0.00 H new ATOM 0 HH12 ARG A 85 14.397 18.279 -18.190 1.00 0.00 H new ATOM 0 HH21 ARG A 85 11.715 16.820 -19.890 1.00 0.00 H new ATOM 0 HH22 ARG A 85 13.169 17.815 -20.026 1.00 0.00 H new ATOM 1405 N LEU A 86 10.810 13.826 -12.435 1.00 0.00 N ATOM 1406 CA LEU A 86 11.403 12.464 -12.431 1.00 0.00 C ATOM 1407 C LEU A 86 10.322 11.437 -12.079 1.00 0.00 C ATOM 1408 O LEU A 86 10.197 10.424 -12.725 1.00 0.00 O ATOM 1409 CB LEU A 86 12.530 12.400 -11.395 1.00 0.00 C ATOM 1410 CG LEU A 86 13.637 11.466 -11.890 1.00 0.00 C ATOM 1411 CD1 LEU A 86 14.095 11.902 -13.284 1.00 0.00 C ATOM 1412 CD2 LEU A 86 14.823 11.527 -10.926 1.00 0.00 C ATOM 0 H LEU A 86 11.110 14.426 -11.666 1.00 0.00 H new ATOM 0 HA LEU A 86 11.807 12.240 -13.418 1.00 0.00 H new ATOM 0 HB2 LEU A 86 12.934 13.397 -11.221 1.00 0.00 H new ATOM 0 HB3 LEU A 86 12.140 12.044 -10.442 1.00 0.00 H new ATOM 0 HG LEU A 86 13.254 10.447 -11.937 1.00 0.00 H new ATOM 0 HD11 LEU A 86 14.883 11.235 -13.633 1.00 0.00 H new ATOM 0 HD12 LEU A 86 13.252 11.860 -13.974 1.00 0.00 H new ATOM 0 HD13 LEU A 86 14.477 12.922 -13.239 1.00 0.00 H new ATOM 0 HD21 LEU A 86 15.612 10.862 -11.277 1.00 0.00 H new ATOM 0 HD22 LEU A 86 15.202 12.548 -10.880 1.00 0.00 H new ATOM 0 HD23 LEU A 86 14.501 11.214 -9.933 1.00 0.00 H new ATOM 1424 N ASP A 87 9.542 11.683 -11.057 1.00 0.00 N ATOM 1425 CA ASP A 87 8.484 10.706 -10.676 1.00 0.00 C ATOM 1426 C ASP A 87 7.537 10.449 -11.858 1.00 0.00 C ATOM 1427 O ASP A 87 7.116 9.334 -12.093 1.00 0.00 O ATOM 1428 CB ASP A 87 7.683 11.278 -9.503 1.00 0.00 C ATOM 1429 CG ASP A 87 6.598 10.281 -9.091 1.00 0.00 C ATOM 1430 OD1 ASP A 87 6.906 9.103 -9.001 1.00 0.00 O ATOM 1431 OD2 ASP A 87 5.478 10.711 -8.870 1.00 0.00 O ATOM 0 H ASP A 87 9.594 12.517 -10.472 1.00 0.00 H new ATOM 0 HA ASP A 87 8.953 9.764 -10.393 1.00 0.00 H new ATOM 0 HB2 ASP A 87 8.345 11.480 -8.661 1.00 0.00 H new ATOM 0 HB3 ASP A 87 7.230 12.228 -9.787 1.00 0.00 H new ATOM 1436 N ARG A 88 7.183 11.473 -12.588 1.00 0.00 N ATOM 1437 CA ARG A 88 6.244 11.289 -13.736 1.00 0.00 C ATOM 1438 C ARG A 88 6.922 10.523 -14.883 1.00 0.00 C ATOM 1439 O ARG A 88 6.380 9.575 -15.415 1.00 0.00 O ATOM 1440 CB ARG A 88 5.802 12.662 -14.245 1.00 0.00 C ATOM 1441 CG ARG A 88 4.424 12.999 -13.671 1.00 0.00 C ATOM 1442 CD ARG A 88 3.566 13.655 -14.754 1.00 0.00 C ATOM 1443 NE ARG A 88 2.283 14.122 -14.156 1.00 0.00 N ATOM 1444 CZ ARG A 88 1.766 15.261 -14.528 1.00 0.00 C ATOM 1445 NH1 ARG A 88 2.067 15.764 -15.695 1.00 0.00 N ATOM 1446 NH2 ARG A 88 0.948 15.897 -13.735 1.00 0.00 N ATOM 0 H ARG A 88 7.503 12.430 -12.440 1.00 0.00 H new ATOM 0 HA ARG A 88 5.384 10.713 -13.393 1.00 0.00 H new ATOM 0 HB2 ARG A 88 6.526 13.421 -13.950 1.00 0.00 H new ATOM 0 HB3 ARG A 88 5.764 12.663 -15.334 1.00 0.00 H new ATOM 0 HG2 ARG A 88 3.939 12.093 -13.307 1.00 0.00 H new ATOM 0 HG3 ARG A 88 4.528 13.670 -12.818 1.00 0.00 H new ATOM 0 HD2 ARG A 88 4.100 14.495 -15.197 1.00 0.00 H new ATOM 0 HD3 ARG A 88 3.368 12.944 -15.556 1.00 0.00 H new ATOM 0 HE ARG A 88 1.809 13.551 -13.456 1.00 0.00 H new ATOM 0 HH11 ARG A 88 2.706 15.267 -16.315 1.00 0.00 H new ATOM 0 HH12 ARG A 88 1.663 16.654 -15.986 1.00 0.00 H new ATOM 0 HH21 ARG A 88 0.712 15.504 -12.824 1.00 0.00 H new ATOM 0 HH22 ARG A 88 0.544 16.787 -14.026 1.00 0.00 H new ATOM 1460 N ASN A 89 8.089 10.948 -15.284 1.00 0.00 N ATOM 1461 CA ASN A 89 8.802 10.276 -16.416 1.00 0.00 C ATOM 1462 C ASN A 89 9.197 8.840 -16.050 1.00 0.00 C ATOM 1463 O ASN A 89 9.318 7.989 -16.906 1.00 0.00 O ATOM 1464 CB ASN A 89 10.054 11.081 -16.772 1.00 0.00 C ATOM 1465 CG ASN A 89 9.651 12.320 -17.575 1.00 0.00 C ATOM 1466 OD1 ASN A 89 10.007 12.454 -18.729 1.00 0.00 O ATOM 1467 ND2 ASN A 89 8.918 13.241 -17.009 1.00 0.00 N ATOM 0 H ASN A 89 8.586 11.739 -14.874 1.00 0.00 H new ATOM 0 HA ASN A 89 8.129 10.233 -17.272 1.00 0.00 H new ATOM 0 HB2 ASN A 89 10.579 11.378 -15.864 1.00 0.00 H new ATOM 0 HB3 ASN A 89 10.742 10.466 -17.352 1.00 0.00 H new ATOM 0 HD21 ASN A 89 8.645 14.071 -17.536 1.00 0.00 H new ATOM 0 HD22 ASN A 89 8.618 13.130 -16.040 1.00 0.00 H new ATOM 1474 N LEU A 90 9.420 8.561 -14.797 1.00 0.00 N ATOM 1475 CA LEU A 90 9.820 7.177 -14.404 1.00 0.00 C ATOM 1476 C LEU A 90 8.785 6.170 -14.914 1.00 0.00 C ATOM 1477 O LEU A 90 9.100 5.030 -15.195 1.00 0.00 O ATOM 1478 CB LEU A 90 9.913 7.080 -12.883 1.00 0.00 C ATOM 1479 CG LEU A 90 11.379 7.190 -12.453 1.00 0.00 C ATOM 1480 CD1 LEU A 90 11.616 8.536 -11.771 1.00 0.00 C ATOM 1481 CD2 LEU A 90 11.705 6.067 -11.471 1.00 0.00 C ATOM 0 H LEU A 90 9.344 9.227 -14.028 1.00 0.00 H new ATOM 0 HA LEU A 90 10.791 6.951 -14.844 1.00 0.00 H new ATOM 0 HB2 LEU A 90 9.327 7.874 -12.421 1.00 0.00 H new ATOM 0 HB3 LEU A 90 9.493 6.134 -12.542 1.00 0.00 H new ATOM 0 HG LEU A 90 12.018 7.110 -13.332 1.00 0.00 H new ATOM 0 HD11 LEU A 90 12.660 8.611 -11.466 1.00 0.00 H new ATOM 0 HD12 LEU A 90 11.382 9.342 -12.466 1.00 0.00 H new ATOM 0 HD13 LEU A 90 10.975 8.617 -10.893 1.00 0.00 H new ATOM 0 HD21 LEU A 90 12.748 6.144 -11.164 1.00 0.00 H new ATOM 0 HD22 LEU A 90 11.062 6.151 -10.595 1.00 0.00 H new ATOM 0 HD23 LEU A 90 11.538 5.103 -11.952 1.00 0.00 H new ATOM 1493 N TRP A 91 7.553 6.579 -15.029 1.00 0.00 N ATOM 1494 CA TRP A 91 6.494 5.657 -15.508 1.00 0.00 C ATOM 1495 C TRP A 91 6.768 5.251 -16.961 1.00 0.00 C ATOM 1496 O TRP A 91 6.463 4.149 -17.370 1.00 0.00 O ATOM 1497 CB TRP A 91 5.149 6.373 -15.398 1.00 0.00 C ATOM 1498 CG TRP A 91 4.826 6.585 -13.962 1.00 0.00 C ATOM 1499 CD1 TRP A 91 4.613 7.787 -13.398 1.00 0.00 C ATOM 1500 CD2 TRP A 91 4.672 5.599 -12.900 1.00 0.00 C ATOM 1501 NE1 TRP A 91 4.349 7.612 -12.052 1.00 0.00 N ATOM 1502 CE2 TRP A 91 4.370 6.280 -11.696 1.00 0.00 C ATOM 1503 CE3 TRP A 91 4.766 4.196 -12.862 1.00 0.00 C ATOM 1504 CZ2 TRP A 91 4.169 5.595 -10.499 1.00 0.00 C ATOM 1505 CZ3 TRP A 91 4.564 3.502 -11.658 1.00 0.00 C ATOM 1506 CH2 TRP A 91 4.265 4.201 -10.478 1.00 0.00 C ATOM 0 H TRP A 91 7.234 7.523 -14.809 1.00 0.00 H new ATOM 0 HA TRP A 91 6.481 4.751 -14.902 1.00 0.00 H new ATOM 0 HB2 TRP A 91 5.188 7.329 -15.920 1.00 0.00 H new ATOM 0 HB3 TRP A 91 4.368 5.781 -15.876 1.00 0.00 H new ATOM 0 HD1 TRP A 91 4.643 8.736 -13.913 1.00 0.00 H new ATOM 0 HE1 TRP A 91 4.162 8.375 -11.402 1.00 0.00 H new ATOM 0 HE3 TRP A 91 4.995 3.649 -13.765 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 3.941 6.138 -9.594 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 4.639 2.425 -11.640 1.00 0.00 H new ATOM 0 HH2 TRP A 91 4.109 3.662 -9.555 1.00 0.00 H new ATOM 1517 N GLY A 92 7.348 6.122 -17.744 1.00 0.00 N ATOM 1518 CA GLY A 92 7.640 5.762 -19.160 1.00 0.00 C ATOM 1519 C GLY A 92 8.615 4.584 -19.182 1.00 0.00 C ATOM 1520 O GLY A 92 8.391 3.589 -19.842 1.00 0.00 O ATOM 0 H GLY A 92 7.630 7.062 -17.465 1.00 0.00 H new ATOM 0 HA2 GLY A 92 6.719 5.498 -19.679 1.00 0.00 H new ATOM 0 HA3 GLY A 92 8.069 6.616 -19.685 1.00 0.00 H new ATOM 1524 N LEU A 93 9.695 4.689 -18.457 1.00 0.00 N ATOM 1525 CA LEU A 93 10.685 3.575 -18.423 1.00 0.00 C ATOM 1526 C LEU A 93 10.007 2.300 -17.905 1.00 0.00 C ATOM 1527 O LEU A 93 10.392 1.202 -18.256 1.00 0.00 O ATOM 1528 CB LEU A 93 11.858 3.951 -17.513 1.00 0.00 C ATOM 1529 CG LEU A 93 12.865 4.795 -18.300 1.00 0.00 C ATOM 1530 CD1 LEU A 93 13.391 3.991 -19.490 1.00 0.00 C ATOM 1531 CD2 LEU A 93 12.196 6.079 -18.804 1.00 0.00 C ATOM 0 H LEU A 93 9.935 5.499 -17.886 1.00 0.00 H new ATOM 0 HA LEU A 93 11.062 3.396 -19.430 1.00 0.00 H new ATOM 0 HB2 LEU A 93 11.497 4.508 -16.649 1.00 0.00 H new ATOM 0 HB3 LEU A 93 12.340 3.050 -17.133 1.00 0.00 H new ATOM 0 HG LEU A 93 13.694 5.060 -17.644 1.00 0.00 H new ATOM 0 HD11 LEU A 93 14.107 4.594 -20.048 1.00 0.00 H new ATOM 0 HD12 LEU A 93 13.881 3.086 -19.130 1.00 0.00 H new ATOM 0 HD13 LEU A 93 12.560 3.719 -20.141 1.00 0.00 H new ATOM 0 HD21 LEU A 93 12.921 6.672 -19.362 1.00 0.00 H new ATOM 0 HD22 LEU A 93 11.359 5.822 -19.454 1.00 0.00 H new ATOM 0 HD23 LEU A 93 11.832 6.657 -17.955 1.00 0.00 H new ATOM 1543 N ALA A 94 9.002 2.429 -17.073 1.00 0.00 N ATOM 1544 CA ALA A 94 8.315 1.217 -16.545 1.00 0.00 C ATOM 1545 C ALA A 94 7.187 0.814 -17.496 1.00 0.00 C ATOM 1546 O ALA A 94 7.331 -0.085 -18.301 1.00 0.00 O ATOM 1547 CB ALA A 94 7.734 1.520 -15.163 1.00 0.00 C ATOM 0 H ALA A 94 8.631 3.319 -16.740 1.00 0.00 H new ATOM 0 HA ALA A 94 9.032 0.400 -16.466 1.00 0.00 H new ATOM 0 HB1 ALA A 94 7.231 0.633 -14.777 1.00 0.00 H new ATOM 0 HB2 ALA A 94 8.538 1.805 -14.485 1.00 0.00 H new ATOM 0 HB3 ALA A 94 7.018 2.338 -15.241 1.00 0.00 H new ATOM 1553 N GLY A 95 6.064 1.473 -17.413 1.00 0.00 N ATOM 1554 CA GLY A 95 4.929 1.126 -18.313 1.00 0.00 C ATOM 1555 C GLY A 95 3.718 0.701 -17.477 1.00 0.00 C ATOM 1556 O GLY A 95 2.584 0.860 -17.888 1.00 0.00 O ATOM 0 H GLY A 95 5.884 2.236 -16.761 1.00 0.00 H new ATOM 0 HA2 GLY A 95 4.671 1.983 -18.935 1.00 0.00 H new ATOM 0 HA3 GLY A 95 5.220 0.319 -18.986 1.00 0.00 H new ATOM 1560 N LEU A 96 3.945 0.166 -16.310 1.00 0.00 N ATOM 1561 CA LEU A 96 2.810 -0.267 -15.454 1.00 0.00 C ATOM 1562 C LEU A 96 2.744 0.636 -14.219 1.00 0.00 C ATOM 1563 O LEU A 96 3.665 1.372 -13.925 1.00 0.00 O ATOM 1564 CB LEU A 96 3.040 -1.709 -15.010 1.00 0.00 C ATOM 1565 CG LEU A 96 1.694 -2.418 -14.847 1.00 0.00 C ATOM 1566 CD1 LEU A 96 1.280 -3.039 -16.183 1.00 0.00 C ATOM 1567 CD2 LEU A 96 1.821 -3.518 -13.791 1.00 0.00 C ATOM 0 H LEU A 96 4.871 0.010 -15.912 1.00 0.00 H new ATOM 0 HA LEU A 96 1.876 -0.199 -16.013 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.652 -2.233 -15.745 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.588 -1.727 -14.068 1.00 0.00 H new ATOM 0 HG LEU A 96 0.940 -1.697 -14.532 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.321 -3.544 -16.068 1.00 0.00 H new ATOM 0 HD12 LEU A 96 1.189 -2.256 -16.936 1.00 0.00 H new ATOM 0 HD13 LEU A 96 2.034 -3.760 -16.499 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.862 -4.023 -13.675 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.575 -4.239 -14.106 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.116 -3.076 -12.839 1.00 0.00 H new ATOM 1579 N ASN A 97 1.660 0.585 -13.492 1.00 0.00 N ATOM 1580 CA ASN A 97 1.535 1.439 -12.278 1.00 0.00 C ATOM 1581 C ASN A 97 1.289 0.554 -11.054 1.00 0.00 C ATOM 1582 O ASN A 97 0.645 0.955 -10.106 1.00 0.00 O ATOM 1583 CB ASN A 97 0.363 2.405 -12.453 1.00 0.00 C ATOM 1584 CG ASN A 97 0.676 3.720 -11.735 1.00 0.00 C ATOM 1585 OD1 ASN A 97 1.421 4.538 -12.237 1.00 0.00 O ATOM 1586 ND2 ASN A 97 0.132 3.960 -10.573 1.00 0.00 N ATOM 0 H ASN A 97 0.856 -0.012 -13.687 1.00 0.00 H new ATOM 0 HA ASN A 97 2.455 2.006 -12.137 1.00 0.00 H new ATOM 0 HB2 ASN A 97 0.185 2.590 -13.512 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -0.549 1.965 -12.049 1.00 0.00 H new ATOM 0 HD21 ASN A 97 0.332 4.834 -10.087 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -0.494 3.274 -10.151 1.00 0.00 H new ATOM 1593 N SER A 98 1.800 -0.646 -11.068 1.00 0.00 N ATOM 1594 CA SER A 98 1.598 -1.554 -9.905 1.00 0.00 C ATOM 1595 C SER A 98 2.661 -1.264 -8.843 1.00 0.00 C ATOM 1596 O SER A 98 3.527 -2.074 -8.582 1.00 0.00 O ATOM 1597 CB SER A 98 1.723 -3.008 -10.367 1.00 0.00 C ATOM 1598 OG SER A 98 1.675 -3.870 -9.239 1.00 0.00 O ATOM 0 H SER A 98 2.348 -1.037 -11.834 1.00 0.00 H new ATOM 0 HA SER A 98 0.607 -1.390 -9.482 1.00 0.00 H new ATOM 0 HB2 SER A 98 0.916 -3.251 -11.059 1.00 0.00 H new ATOM 0 HB3 SER A 98 2.659 -3.150 -10.907 1.00 0.00 H new ATOM 0 HG SER A 98 2.488 -3.754 -8.704 1.00 0.00 H new ATOM 1604 N CYS A 99 2.605 -0.111 -8.229 1.00 0.00 N ATOM 1605 CA CYS A 99 3.618 0.230 -7.192 1.00 0.00 C ATOM 1606 C CYS A 99 2.917 0.568 -5.872 1.00 0.00 C ATOM 1607 O CYS A 99 2.977 1.691 -5.413 1.00 0.00 O ATOM 1608 CB CYS A 99 4.427 1.441 -7.659 1.00 0.00 C ATOM 1609 SG CYS A 99 4.809 1.265 -9.418 1.00 0.00 S ATOM 0 H CYS A 99 1.902 0.607 -8.402 1.00 0.00 H new ATOM 0 HA CYS A 99 4.280 -0.622 -7.039 1.00 0.00 H new ATOM 0 HB2 CYS A 99 3.862 2.357 -7.488 1.00 0.00 H new ATOM 0 HB3 CYS A 99 5.348 1.522 -7.082 1.00 0.00 H new ATOM 1614 N PRO A 100 2.277 -0.417 -5.295 1.00 0.00 N ATOM 1615 CA PRO A 100 1.546 -0.270 -3.998 1.00 0.00 C ATOM 1616 C PRO A 100 2.537 -0.195 -2.834 1.00 0.00 C ATOM 1617 O PRO A 100 2.707 0.836 -2.215 1.00 0.00 O ATOM 1618 CB PRO A 100 0.706 -1.537 -3.923 1.00 0.00 C ATOM 1619 CG PRO A 100 1.394 -2.573 -4.801 1.00 0.00 C ATOM 1620 CD PRO A 100 2.198 -1.808 -5.854 1.00 0.00 C ATOM 0 HA PRO A 100 0.945 0.637 -3.939 1.00 0.00 H new ATOM 0 HB2 PRO A 100 0.630 -1.891 -2.895 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -0.310 -1.349 -4.271 1.00 0.00 H new ATOM 0 HG2 PRO A 100 2.048 -3.210 -4.205 1.00 0.00 H new ATOM 0 HG3 PRO A 100 0.660 -3.225 -5.275 1.00 0.00 H new ATOM 0 HD2 PRO A 100 3.189 -2.241 -5.995 1.00 0.00 H new ATOM 0 HD3 PRO A 100 1.703 -1.822 -6.825 1.00 0.00 H new ATOM 1628 N VAL A 101 3.197 -1.281 -2.531 1.00 0.00 N ATOM 1629 CA VAL A 101 4.178 -1.267 -1.410 1.00 0.00 C ATOM 1630 C VAL A 101 5.156 -2.436 -1.580 1.00 0.00 C ATOM 1631 O VAL A 101 6.074 -2.371 -2.375 1.00 0.00 O ATOM 1632 CB VAL A 101 3.433 -1.397 -0.078 1.00 0.00 C ATOM 1633 CG1 VAL A 101 4.444 -1.577 1.055 1.00 0.00 C ATOM 1634 CG2 VAL A 101 2.609 -0.131 0.169 1.00 0.00 C ATOM 0 H VAL A 101 3.099 -2.175 -3.011 1.00 0.00 H new ATOM 0 HA VAL A 101 4.733 -0.329 -1.417 1.00 0.00 H new ATOM 0 HB VAL A 101 2.770 -2.261 -0.114 1.00 0.00 H new ATOM 0 HG11 VAL A 101 3.915 -1.670 2.003 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.032 -2.477 0.878 1.00 0.00 H new ATOM 0 HG13 VAL A 101 5.107 -0.712 1.092 1.00 0.00 H new ATOM 0 HG21 VAL A 101 2.078 -0.222 1.117 1.00 0.00 H new ATOM 0 HG22 VAL A 101 3.272 0.733 0.206 1.00 0.00 H new ATOM 0 HG23 VAL A 101 1.889 -0.002 -0.639 1.00 0.00 H new ATOM 1644 N LYS A 102 4.978 -3.502 -0.845 1.00 0.00 N ATOM 1645 CA LYS A 102 5.907 -4.658 -0.976 1.00 0.00 C ATOM 1646 C LYS A 102 7.333 -4.183 -0.727 1.00 0.00 C ATOM 1647 O LYS A 102 8.154 -4.134 -1.621 1.00 0.00 O ATOM 1648 CB LYS A 102 5.798 -5.251 -2.383 1.00 0.00 C ATOM 1649 CG LYS A 102 4.574 -6.167 -2.456 1.00 0.00 C ATOM 1650 CD LYS A 102 4.924 -7.422 -3.259 1.00 0.00 C ATOM 1651 CE LYS A 102 5.370 -8.531 -2.306 1.00 0.00 C ATOM 1652 NZ LYS A 102 5.243 -9.852 -2.986 1.00 0.00 N ATOM 0 H LYS A 102 4.230 -3.620 -0.161 1.00 0.00 H new ATOM 0 HA LYS A 102 5.644 -5.424 -0.246 1.00 0.00 H new ATOM 0 HB2 LYS A 102 5.713 -4.453 -3.120 1.00 0.00 H new ATOM 0 HB3 LYS A 102 6.701 -5.812 -2.624 1.00 0.00 H new ATOM 0 HG2 LYS A 102 4.252 -6.443 -1.452 1.00 0.00 H new ATOM 0 HG3 LYS A 102 3.741 -5.643 -2.925 1.00 0.00 H new ATOM 0 HD2 LYS A 102 4.059 -7.750 -3.836 1.00 0.00 H new ATOM 0 HD3 LYS A 102 5.718 -7.200 -3.972 1.00 0.00 H new ATOM 0 HE2 LYS A 102 6.402 -8.367 -1.998 1.00 0.00 H new ATOM 0 HE3 LYS A 102 4.761 -8.515 -1.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 5.546 -10.607 -2.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 4.252 -10.008 -3.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 5.842 -9.864 -3.836 1.00 0.00 H new ATOM 1666 N GLU A 103 7.626 -3.834 0.490 1.00 0.00 N ATOM 1667 CA GLU A 103 8.999 -3.358 0.822 1.00 0.00 C ATOM 1668 C GLU A 103 9.007 -2.765 2.232 1.00 0.00 C ATOM 1669 O GLU A 103 8.163 -1.966 2.587 1.00 0.00 O ATOM 1670 CB GLU A 103 9.422 -2.282 -0.183 1.00 0.00 C ATOM 1671 CG GLU A 103 10.560 -2.814 -1.060 1.00 0.00 C ATOM 1672 CD GLU A 103 11.670 -3.380 -0.170 1.00 0.00 C ATOM 1673 OE1 GLU A 103 11.936 -2.786 0.862 1.00 0.00 O ATOM 1674 OE2 GLU A 103 12.234 -4.396 -0.539 1.00 0.00 O ATOM 0 H GLU A 103 6.974 -3.857 1.274 1.00 0.00 H new ATOM 0 HA GLU A 103 9.695 -4.196 0.775 1.00 0.00 H new ATOM 0 HB2 GLU A 103 8.573 -1.998 -0.805 1.00 0.00 H new ATOM 0 HB3 GLU A 103 9.745 -1.385 0.345 1.00 0.00 H new ATOM 0 HG2 GLU A 103 10.186 -3.589 -1.729 1.00 0.00 H new ATOM 0 HG3 GLU A 103 10.954 -2.014 -1.687 1.00 0.00 H new ATOM 1681 N ALA A 104 9.955 -3.152 3.042 1.00 0.00 N ATOM 1682 CA ALA A 104 10.017 -2.612 4.430 1.00 0.00 C ATOM 1683 C ALA A 104 11.448 -2.164 4.740 1.00 0.00 C ATOM 1684 O ALA A 104 11.667 -1.188 5.429 1.00 0.00 O ATOM 1685 CB ALA A 104 9.596 -3.697 5.422 1.00 0.00 C ATOM 0 H ALA A 104 10.689 -3.819 2.802 1.00 0.00 H new ATOM 0 HA ALA A 104 9.342 -1.761 4.517 1.00 0.00 H new ATOM 0 HB1 ALA A 104 9.642 -3.300 6.436 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.577 -4.015 5.203 1.00 0.00 H new ATOM 0 HB3 ALA A 104 10.269 -4.550 5.335 1.00 0.00 H new ATOM 1691 N ASN A 105 12.425 -2.872 4.239 1.00 0.00 N ATOM 1692 CA ASN A 105 13.838 -2.485 4.508 1.00 0.00 C ATOM 1693 C ASN A 105 13.997 -0.973 4.336 1.00 0.00 C ATOM 1694 O ASN A 105 13.120 -0.301 3.832 1.00 0.00 O ATOM 1695 CB ASN A 105 14.761 -3.210 3.525 1.00 0.00 C ATOM 1696 CG ASN A 105 14.697 -4.717 3.782 1.00 0.00 C ATOM 1697 OD1 ASN A 105 14.980 -5.172 4.873 1.00 0.00 O ATOM 1698 ND2 ASN A 105 14.336 -5.517 2.815 1.00 0.00 N ATOM 0 H ASN A 105 12.305 -3.700 3.656 1.00 0.00 H new ATOM 0 HA ASN A 105 14.102 -2.763 5.528 1.00 0.00 H new ATOM 0 HB2 ASN A 105 14.461 -2.992 2.500 1.00 0.00 H new ATOM 0 HB3 ASN A 105 15.785 -2.854 3.640 1.00 0.00 H new ATOM 0 HD21 ASN A 105 14.292 -6.523 2.975 1.00 0.00 H new ATOM 0 HD22 ASN A 105 14.098 -5.136 1.899 1.00 0.00 H new ATOM 1705 N GLN A 106 15.109 -0.433 4.751 1.00 0.00 N ATOM 1706 CA GLN A 106 15.324 1.035 4.612 1.00 0.00 C ATOM 1707 C GLN A 106 16.472 1.294 3.634 1.00 0.00 C ATOM 1708 O GLN A 106 17.333 0.457 3.438 1.00 0.00 O ATOM 1709 CB GLN A 106 15.672 1.632 5.976 1.00 0.00 C ATOM 1710 CG GLN A 106 14.571 1.290 6.981 1.00 0.00 C ATOM 1711 CD GLN A 106 14.675 2.217 8.192 1.00 0.00 C ATOM 1712 OE1 GLN A 106 15.479 1.993 9.076 1.00 0.00 O ATOM 1713 NE2 GLN A 106 13.894 3.258 8.271 1.00 0.00 N ATOM 0 H GLN A 106 15.879 -0.945 5.181 1.00 0.00 H new ATOM 0 HA GLN A 106 14.413 1.500 4.234 1.00 0.00 H new ATOM 0 HB2 GLN A 106 16.629 1.241 6.322 1.00 0.00 H new ATOM 0 HB3 GLN A 106 15.781 2.713 5.894 1.00 0.00 H new ATOM 0 HG2 GLN A 106 13.592 1.395 6.513 1.00 0.00 H new ATOM 0 HG3 GLN A 106 14.663 0.251 7.297 1.00 0.00 H new ATOM 0 HE21 GLN A 106 13.219 3.447 7.530 1.00 0.00 H new ATOM 0 HE22 GLN A 106 13.958 3.884 9.074 1.00 0.00 H new ATOM 1722 N SER A 107 16.492 2.444 3.019 1.00 0.00 N ATOM 1723 CA SER A 107 17.586 2.754 2.056 1.00 0.00 C ATOM 1724 C SER A 107 17.995 4.219 2.215 1.00 0.00 C ATOM 1725 O SER A 107 17.482 4.926 3.059 1.00 0.00 O ATOM 1726 CB SER A 107 17.090 2.509 0.629 1.00 0.00 C ATOM 1727 OG SER A 107 18.202 2.433 -0.251 1.00 0.00 O ATOM 0 H SER A 107 15.799 3.182 3.141 1.00 0.00 H new ATOM 0 HA SER A 107 18.445 2.113 2.254 1.00 0.00 H new ATOM 0 HB2 SER A 107 16.515 1.584 0.586 1.00 0.00 H new ATOM 0 HB3 SER A 107 16.423 3.314 0.321 1.00 0.00 H new ATOM 0 HG SER A 107 17.886 2.274 -1.165 1.00 0.00 H new ATOM 1733 N THR A 108 18.916 4.683 1.416 1.00 0.00 N ATOM 1734 CA THR A 108 19.354 6.101 1.534 1.00 0.00 C ATOM 1735 C THR A 108 19.067 6.847 0.221 1.00 0.00 C ATOM 1736 O THR A 108 19.450 6.406 -0.842 1.00 0.00 O ATOM 1737 CB THR A 108 20.858 6.143 1.817 1.00 0.00 C ATOM 1738 OG1 THR A 108 21.539 5.335 0.867 1.00 0.00 O ATOM 1739 CG2 THR A 108 21.130 5.615 3.225 1.00 0.00 C ATOM 0 H THR A 108 19.383 4.142 0.688 1.00 0.00 H new ATOM 0 HA THR A 108 18.809 6.579 2.348 1.00 0.00 H new ATOM 0 HB THR A 108 21.213 7.171 1.743 1.00 0.00 H new ATOM 0 HG1 THR A 108 22.502 5.362 1.045 1.00 0.00 H new ATOM 0 HG21 THR A 108 22.201 5.646 3.424 1.00 0.00 H new ATOM 0 HG22 THR A 108 20.607 6.235 3.953 1.00 0.00 H new ATOM 0 HG23 THR A 108 20.776 4.587 3.303 1.00 0.00 H new ATOM 1747 N LEU A 109 18.410 7.976 0.290 1.00 0.00 N ATOM 1748 CA LEU A 109 18.114 8.759 -0.951 1.00 0.00 C ATOM 1749 C LEU A 109 19.407 8.904 -1.754 1.00 0.00 C ATOM 1750 O LEU A 109 19.426 8.721 -2.954 1.00 0.00 O ATOM 1751 CB LEU A 109 17.603 10.153 -0.552 1.00 0.00 C ATOM 1752 CG LEU A 109 17.033 10.905 -1.767 1.00 0.00 C ATOM 1753 CD1 LEU A 109 18.090 11.042 -2.858 1.00 0.00 C ATOM 1754 CD2 LEU A 109 15.832 10.156 -2.330 1.00 0.00 C ATOM 0 H LEU A 109 18.064 8.392 1.155 1.00 0.00 H new ATOM 0 HA LEU A 109 17.358 8.250 -1.550 1.00 0.00 H new ATOM 0 HB2 LEU A 109 16.833 10.056 0.213 1.00 0.00 H new ATOM 0 HB3 LEU A 109 18.417 10.730 -0.113 1.00 0.00 H new ATOM 0 HG LEU A 109 16.726 11.898 -1.438 1.00 0.00 H new ATOM 0 HD11 LEU A 109 17.668 11.577 -3.709 1.00 0.00 H new ATOM 0 HD12 LEU A 109 18.944 11.596 -2.469 1.00 0.00 H new ATOM 0 HD13 LEU A 109 18.414 10.051 -3.177 1.00 0.00 H new ATOM 0 HD21 LEU A 109 15.436 10.697 -3.190 1.00 0.00 H new ATOM 0 HD22 LEU A 109 16.139 9.157 -2.640 1.00 0.00 H new ATOM 0 HD23 LEU A 109 15.060 10.078 -1.564 1.00 0.00 H new ATOM 1766 N GLU A 110 20.489 9.233 -1.107 1.00 0.00 N ATOM 1767 CA GLU A 110 21.768 9.383 -1.851 1.00 0.00 C ATOM 1768 C GLU A 110 21.966 8.141 -2.717 1.00 0.00 C ATOM 1769 O GLU A 110 22.315 8.225 -3.878 1.00 0.00 O ATOM 1770 CB GLU A 110 22.928 9.511 -0.862 1.00 0.00 C ATOM 1771 CG GLU A 110 24.255 9.435 -1.621 1.00 0.00 C ATOM 1772 CD GLU A 110 25.357 10.094 -0.790 1.00 0.00 C ATOM 1773 OE1 GLU A 110 25.791 9.485 0.173 1.00 0.00 O ATOM 1774 OE2 GLU A 110 25.749 11.198 -1.133 1.00 0.00 O ATOM 0 H GLU A 110 20.543 9.403 -0.103 1.00 0.00 H new ATOM 0 HA GLU A 110 21.738 10.276 -2.475 1.00 0.00 H new ATOM 0 HB2 GLU A 110 22.858 10.456 -0.323 1.00 0.00 H new ATOM 0 HB3 GLU A 110 22.876 8.716 -0.118 1.00 0.00 H new ATOM 0 HG2 GLU A 110 24.511 8.395 -1.824 1.00 0.00 H new ATOM 0 HG3 GLU A 110 24.164 9.935 -2.585 1.00 0.00 H new ATOM 1781 N ASN A 111 21.730 6.988 -2.157 1.00 0.00 N ATOM 1782 CA ASN A 111 21.886 5.731 -2.936 1.00 0.00 C ATOM 1783 C ASN A 111 20.774 5.633 -3.977 1.00 0.00 C ATOM 1784 O ASN A 111 20.948 5.042 -5.005 1.00 0.00 O ATOM 1785 CB ASN A 111 21.824 4.526 -1.996 1.00 0.00 C ATOM 1786 CG ASN A 111 22.078 3.244 -2.793 1.00 0.00 C ATOM 1787 OD1 ASN A 111 23.181 3.003 -3.243 1.00 0.00 O ATOM 1788 ND2 ASN A 111 21.097 2.406 -2.987 1.00 0.00 N ATOM 0 H ASN A 111 21.434 6.863 -1.189 1.00 0.00 H new ATOM 0 HA ASN A 111 22.852 5.738 -3.441 1.00 0.00 H new ATOM 0 HB2 ASN A 111 22.568 4.629 -1.206 1.00 0.00 H new ATOM 0 HB3 ASN A 111 20.849 4.479 -1.512 1.00 0.00 H new ATOM 0 HD21 ASN A 111 21.256 1.549 -3.516 1.00 0.00 H new ATOM 0 HD22 ASN A 111 20.171 2.608 -2.609 1.00 0.00 H new ATOM 1795 N PHE A 112 19.627 6.194 -3.732 1.00 0.00 N ATOM 1796 CA PHE A 112 18.543 6.108 -4.753 1.00 0.00 C ATOM 1797 C PHE A 112 18.996 6.848 -6.007 1.00 0.00 C ATOM 1798 O PHE A 112 18.732 6.433 -7.111 1.00 0.00 O ATOM 1799 CB PHE A 112 17.280 6.772 -4.198 1.00 0.00 C ATOM 1800 CG PHE A 112 16.133 6.577 -5.162 1.00 0.00 C ATOM 1801 CD1 PHE A 112 15.925 7.500 -6.196 1.00 0.00 C ATOM 1802 CD2 PHE A 112 15.281 5.475 -5.024 1.00 0.00 C ATOM 1803 CE1 PHE A 112 14.862 7.320 -7.090 1.00 0.00 C ATOM 1804 CE2 PHE A 112 14.219 5.296 -5.920 1.00 0.00 C ATOM 1805 CZ PHE A 112 14.009 6.218 -6.952 1.00 0.00 C ATOM 0 H PHE A 112 19.391 6.704 -2.880 1.00 0.00 H new ATOM 0 HA PHE A 112 18.331 5.066 -4.993 1.00 0.00 H new ATOM 0 HB2 PHE A 112 17.029 6.343 -3.228 1.00 0.00 H new ATOM 0 HB3 PHE A 112 17.457 7.836 -4.040 1.00 0.00 H new ATOM 0 HD1 PHE A 112 16.584 8.349 -6.303 1.00 0.00 H new ATOM 0 HD2 PHE A 112 15.442 4.763 -4.228 1.00 0.00 H new ATOM 0 HE1 PHE A 112 14.700 8.031 -7.886 1.00 0.00 H new ATOM 0 HE2 PHE A 112 13.562 4.446 -5.814 1.00 0.00 H new ATOM 0 HZ PHE A 112 13.189 6.080 -7.642 1.00 0.00 H new ATOM 1815 N LEU A 113 19.677 7.942 -5.852 1.00 0.00 N ATOM 1816 CA LEU A 113 20.157 8.685 -7.046 1.00 0.00 C ATOM 1817 C LEU A 113 21.296 7.894 -7.705 1.00 0.00 C ATOM 1818 O LEU A 113 21.420 7.856 -8.912 1.00 0.00 O ATOM 1819 CB LEU A 113 20.658 10.066 -6.623 1.00 0.00 C ATOM 1820 CG LEU A 113 19.580 10.774 -5.797 1.00 0.00 C ATOM 1821 CD1 LEU A 113 20.250 11.622 -4.718 1.00 0.00 C ATOM 1822 CD2 LEU A 113 18.749 11.677 -6.713 1.00 0.00 C ATOM 0 H LEU A 113 19.923 8.355 -4.952 1.00 0.00 H new ATOM 0 HA LEU A 113 19.341 8.807 -7.758 1.00 0.00 H new ATOM 0 HB2 LEU A 113 21.573 9.969 -6.038 1.00 0.00 H new ATOM 0 HB3 LEU A 113 20.904 10.660 -7.503 1.00 0.00 H new ATOM 0 HG LEU A 113 18.930 10.034 -5.330 1.00 0.00 H new ATOM 0 HD11 LEU A 113 19.487 12.128 -4.127 1.00 0.00 H new ATOM 0 HD12 LEU A 113 20.846 10.980 -4.069 1.00 0.00 H new ATOM 0 HD13 LEU A 113 20.897 12.363 -5.187 1.00 0.00 H new ATOM 0 HD21 LEU A 113 17.981 12.182 -6.127 1.00 0.00 H new ATOM 0 HD22 LEU A 113 19.398 12.420 -7.178 1.00 0.00 H new ATOM 0 HD23 LEU A 113 18.276 11.073 -7.487 1.00 0.00 H new ATOM 1834 N GLU A 114 22.134 7.265 -6.916 1.00 0.00 N ATOM 1835 CA GLU A 114 23.267 6.477 -7.489 1.00 0.00 C ATOM 1836 C GLU A 114 22.724 5.220 -8.173 1.00 0.00 C ATOM 1837 O GLU A 114 23.038 4.913 -9.304 1.00 0.00 O ATOM 1838 CB GLU A 114 24.190 6.066 -6.348 1.00 0.00 C ATOM 1839 CG GLU A 114 25.621 6.497 -6.650 1.00 0.00 C ATOM 1840 CD GLU A 114 25.990 6.095 -8.078 1.00 0.00 C ATOM 1841 OE1 GLU A 114 26.333 4.941 -8.277 1.00 0.00 O ATOM 1842 OE2 GLU A 114 25.924 6.946 -8.949 1.00 0.00 O ATOM 0 H GLU A 114 22.081 7.264 -5.897 1.00 0.00 H new ATOM 0 HA GLU A 114 23.808 7.078 -8.220 1.00 0.00 H new ATOM 0 HB2 GLU A 114 23.854 6.521 -5.416 1.00 0.00 H new ATOM 0 HB3 GLU A 114 24.149 4.986 -6.208 1.00 0.00 H new ATOM 0 HG2 GLU A 114 25.719 7.576 -6.529 1.00 0.00 H new ATOM 0 HG3 GLU A 114 26.308 6.033 -5.942 1.00 0.00 H new ATOM 1849 N ARG A 115 21.910 4.503 -7.463 1.00 0.00 N ATOM 1850 CA ARG A 115 21.293 3.251 -7.979 1.00 0.00 C ATOM 1851 C ARG A 115 20.404 3.577 -9.174 1.00 0.00 C ATOM 1852 O ARG A 115 20.492 2.974 -10.225 1.00 0.00 O ATOM 1853 CB ARG A 115 20.425 2.657 -6.861 1.00 0.00 C ATOM 1854 CG ARG A 115 20.759 1.176 -6.679 1.00 0.00 C ATOM 1855 CD ARG A 115 20.397 0.409 -7.951 1.00 0.00 C ATOM 1856 NE ARG A 115 20.333 -1.049 -7.649 1.00 0.00 N ATOM 1857 CZ ARG A 115 20.640 -1.920 -8.572 1.00 0.00 C ATOM 1858 NH1 ARG A 115 21.741 -1.781 -9.258 1.00 0.00 N ATOM 1859 NH2 ARG A 115 19.846 -2.928 -8.807 1.00 0.00 N ATOM 0 H ARG A 115 21.635 4.740 -6.510 1.00 0.00 H new ATOM 0 HA ARG A 115 22.066 2.547 -8.286 1.00 0.00 H new ATOM 0 HB2 ARG A 115 20.597 3.195 -5.929 1.00 0.00 H new ATOM 0 HB3 ARG A 115 19.369 2.774 -7.106 1.00 0.00 H new ATOM 0 HG2 ARG A 115 21.820 1.056 -6.460 1.00 0.00 H new ATOM 0 HG3 ARG A 115 20.210 0.771 -5.829 1.00 0.00 H new ATOM 0 HD2 ARG A 115 19.438 0.754 -8.336 1.00 0.00 H new ATOM 0 HD3 ARG A 115 21.139 0.599 -8.727 1.00 0.00 H new ATOM 0 HE ARG A 115 20.050 -1.366 -6.722 1.00 0.00 H new ATOM 0 HH11 ARG A 115 22.361 -0.992 -9.073 1.00 0.00 H new ATOM 0 HH12 ARG A 115 21.982 -2.461 -9.979 1.00 0.00 H new ATOM 0 HH21 ARG A 115 18.986 -3.036 -8.270 1.00 0.00 H new ATOM 0 HH22 ARG A 115 20.086 -3.609 -9.528 1.00 0.00 H new ATOM 1873 N LEU A 116 19.543 4.530 -9.001 1.00 0.00 N ATOM 1874 CA LEU A 116 18.619 4.931 -10.093 1.00 0.00 C ATOM 1875 C LEU A 116 19.430 5.334 -11.339 1.00 0.00 C ATOM 1876 O LEU A 116 19.104 4.943 -12.443 1.00 0.00 O ATOM 1877 CB LEU A 116 17.789 6.126 -9.616 1.00 0.00 C ATOM 1878 CG LEU A 116 16.726 6.454 -10.665 1.00 0.00 C ATOM 1879 CD1 LEU A 116 15.336 6.179 -10.085 1.00 0.00 C ATOM 1880 CD2 LEU A 116 16.834 7.928 -11.058 1.00 0.00 C ATOM 0 H LEU A 116 19.436 5.059 -8.135 1.00 0.00 H new ATOM 0 HA LEU A 116 17.965 4.098 -10.349 1.00 0.00 H new ATOM 0 HB2 LEU A 116 17.316 5.897 -8.661 1.00 0.00 H new ATOM 0 HB3 LEU A 116 18.434 6.989 -9.453 1.00 0.00 H new ATOM 0 HG LEU A 116 16.881 5.832 -11.547 1.00 0.00 H new ATOM 0 HD11 LEU A 116 14.577 6.413 -10.832 1.00 0.00 H new ATOM 0 HD12 LEU A 116 15.259 5.128 -9.806 1.00 0.00 H new ATOM 0 HD13 LEU A 116 15.180 6.800 -9.203 1.00 0.00 H new ATOM 0 HD21 LEU A 116 16.076 8.162 -11.806 1.00 0.00 H new ATOM 0 HD22 LEU A 116 16.679 8.552 -10.177 1.00 0.00 H new ATOM 0 HD23 LEU A 116 17.824 8.123 -11.471 1.00 0.00 H new ATOM 1892 N LYS A 117 20.475 6.126 -11.185 1.00 0.00 N ATOM 1893 CA LYS A 117 21.265 6.545 -12.381 1.00 0.00 C ATOM 1894 C LYS A 117 22.055 5.364 -12.957 1.00 0.00 C ATOM 1895 O LYS A 117 22.327 5.309 -14.139 1.00 0.00 O ATOM 1896 CB LYS A 117 22.238 7.656 -11.979 1.00 0.00 C ATOM 1897 CG LYS A 117 23.190 7.945 -13.142 1.00 0.00 C ATOM 1898 CD LYS A 117 22.415 8.607 -14.284 1.00 0.00 C ATOM 1899 CE LYS A 117 23.366 9.477 -15.108 1.00 0.00 C ATOM 1900 NZ LYS A 117 22.815 9.649 -16.483 1.00 0.00 N ATOM 0 H LYS A 117 20.805 6.492 -10.292 1.00 0.00 H new ATOM 0 HA LYS A 117 20.575 6.906 -13.144 1.00 0.00 H new ATOM 0 HB2 LYS A 117 21.687 8.558 -11.713 1.00 0.00 H new ATOM 0 HB3 LYS A 117 22.804 7.357 -11.097 1.00 0.00 H new ATOM 0 HG2 LYS A 117 23.998 8.597 -12.811 1.00 0.00 H new ATOM 0 HG3 LYS A 117 23.649 7.019 -13.489 1.00 0.00 H new ATOM 0 HD2 LYS A 117 21.960 7.846 -14.918 1.00 0.00 H new ATOM 0 HD3 LYS A 117 21.604 9.215 -13.883 1.00 0.00 H new ATOM 0 HE2 LYS A 117 23.493 10.449 -14.631 1.00 0.00 H new ATOM 0 HE3 LYS A 117 24.352 9.014 -15.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 23.598 9.714 -17.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 22.215 8.833 -16.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 22.247 10.520 -16.523 1.00 0.00 H new ATOM 1914 N THR A 118 22.446 4.428 -12.136 1.00 0.00 N ATOM 1915 CA THR A 118 23.237 3.272 -12.650 1.00 0.00 C ATOM 1916 C THR A 118 22.365 2.384 -13.544 1.00 0.00 C ATOM 1917 O THR A 118 22.747 2.032 -14.642 1.00 0.00 O ATOM 1918 CB THR A 118 23.757 2.448 -11.471 1.00 0.00 C ATOM 1919 OG1 THR A 118 24.285 3.321 -10.482 1.00 0.00 O ATOM 1920 CG2 THR A 118 24.853 1.497 -11.953 1.00 0.00 C ATOM 0 H THR A 118 22.253 4.413 -11.135 1.00 0.00 H new ATOM 0 HA THR A 118 24.074 3.651 -13.236 1.00 0.00 H new ATOM 0 HB THR A 118 22.939 1.867 -11.045 1.00 0.00 H new ATOM 0 HG1 THR A 118 23.580 3.556 -9.843 1.00 0.00 H new ATOM 0 HG21 THR A 118 25.222 0.911 -11.111 1.00 0.00 H new ATOM 0 HG22 THR A 118 24.446 0.827 -12.711 1.00 0.00 H new ATOM 0 HG23 THR A 118 25.673 2.074 -12.381 1.00 0.00 H new ATOM 1928 N ILE A 119 21.208 2.004 -13.080 1.00 0.00 N ATOM 1929 CA ILE A 119 20.332 1.123 -13.900 1.00 0.00 C ATOM 1930 C ILE A 119 19.905 1.833 -15.189 1.00 0.00 C ATOM 1931 O ILE A 119 19.917 1.252 -16.251 1.00 0.00 O ATOM 1932 CB ILE A 119 19.108 0.742 -13.093 1.00 0.00 C ATOM 1933 CG1 ILE A 119 19.528 -0.218 -11.981 1.00 0.00 C ATOM 1934 CG2 ILE A 119 18.078 0.061 -13.998 1.00 0.00 C ATOM 1935 CD1 ILE A 119 19.292 0.442 -10.624 1.00 0.00 C ATOM 0 H ILE A 119 20.831 2.265 -12.169 1.00 0.00 H new ATOM 0 HA ILE A 119 20.888 0.226 -14.171 1.00 0.00 H new ATOM 0 HB ILE A 119 18.661 1.637 -12.661 1.00 0.00 H new ATOM 0 HG12 ILE A 119 18.958 -1.144 -12.051 1.00 0.00 H new ATOM 0 HG13 ILE A 119 20.580 -0.482 -12.091 1.00 0.00 H new ATOM 0 HG21 ILE A 119 17.201 -0.210 -13.411 1.00 0.00 H new ATOM 0 HG22 ILE A 119 17.785 0.745 -14.794 1.00 0.00 H new ATOM 0 HG23 ILE A 119 18.515 -0.838 -14.434 1.00 0.00 H new ATOM 0 HD11 ILE A 119 19.591 -0.242 -9.830 1.00 0.00 H new ATOM 0 HD12 ILE A 119 19.881 1.356 -10.557 1.00 0.00 H new ATOM 0 HD13 ILE A 119 18.235 0.683 -10.516 1.00 0.00 H new ATOM 1947 N MET A 120 19.514 3.074 -15.107 1.00 0.00 N ATOM 1948 CA MET A 120 19.075 3.802 -16.336 1.00 0.00 C ATOM 1949 C MET A 120 20.144 3.720 -17.413 1.00 0.00 C ATOM 1950 O MET A 120 19.844 3.558 -18.569 1.00 0.00 O ATOM 1951 CB MET A 120 18.815 5.267 -15.990 1.00 0.00 C ATOM 1952 CG MET A 120 17.407 5.403 -15.420 1.00 0.00 C ATOM 1953 SD MET A 120 17.425 6.483 -13.972 1.00 0.00 S ATOM 1954 CE MET A 120 15.694 6.228 -13.507 1.00 0.00 C ATOM 0 H MET A 120 19.478 3.617 -14.244 1.00 0.00 H new ATOM 0 HA MET A 120 18.162 3.341 -16.712 1.00 0.00 H new ATOM 0 HB2 MET A 120 19.550 5.618 -15.265 1.00 0.00 H new ATOM 0 HB3 MET A 120 18.922 5.888 -16.879 1.00 0.00 H new ATOM 0 HG2 MET A 120 16.737 5.809 -16.178 1.00 0.00 H new ATOM 0 HG3 MET A 120 17.021 4.421 -15.146 1.00 0.00 H new ATOM 0 HE1 MET A 120 15.247 7.183 -13.231 1.00 0.00 H new ATOM 0 HE2 MET A 120 15.150 5.802 -14.350 1.00 0.00 H new ATOM 0 HE3 MET A 120 15.642 5.545 -12.659 1.00 0.00 H new ATOM 1964 N ARG A 121 21.384 3.830 -17.063 1.00 0.00 N ATOM 1965 CA ARG A 121 22.434 3.737 -18.113 1.00 0.00 C ATOM 1966 C ARG A 121 22.323 2.371 -18.782 1.00 0.00 C ATOM 1967 O ARG A 121 22.555 2.214 -19.964 1.00 0.00 O ATOM 1968 CB ARG A 121 23.808 3.866 -17.464 1.00 0.00 C ATOM 1969 CG ARG A 121 24.461 5.182 -17.895 1.00 0.00 C ATOM 1970 CD ARG A 121 24.845 5.990 -16.655 1.00 0.00 C ATOM 1971 NE ARG A 121 25.949 5.297 -15.932 1.00 0.00 N ATOM 1972 CZ ARG A 121 27.017 4.919 -16.580 1.00 0.00 C ATOM 1973 NH1 ARG A 121 27.863 5.810 -17.021 1.00 0.00 N ATOM 1974 NH2 ARG A 121 27.238 3.650 -16.787 1.00 0.00 N ATOM 0 H ARG A 121 21.719 3.978 -16.111 1.00 0.00 H new ATOM 0 HA ARG A 121 22.304 4.531 -18.848 1.00 0.00 H new ATOM 0 HB2 ARG A 121 23.713 3.835 -16.379 1.00 0.00 H new ATOM 0 HB3 ARG A 121 24.438 3.025 -17.753 1.00 0.00 H new ATOM 0 HG2 ARG A 121 25.345 4.981 -18.499 1.00 0.00 H new ATOM 0 HG3 ARG A 121 23.773 5.755 -18.517 1.00 0.00 H new ATOM 0 HD2 ARG A 121 25.159 6.993 -16.944 1.00 0.00 H new ATOM 0 HD3 ARG A 121 23.981 6.103 -16.000 1.00 0.00 H new ATOM 0 HE ARG A 121 25.870 5.118 -14.931 1.00 0.00 H new ATOM 0 HH11 ARG A 121 27.689 6.802 -16.859 1.00 0.00 H new ATOM 0 HH12 ARG A 121 28.698 5.514 -17.527 1.00 0.00 H new ATOM 0 HH21 ARG A 121 26.576 2.954 -16.443 1.00 0.00 H new ATOM 0 HH22 ARG A 121 28.072 3.354 -17.293 1.00 0.00 H new ATOM 1988 N GLU A 122 21.977 1.380 -18.014 1.00 0.00 N ATOM 1989 CA GLU A 122 21.849 -0.004 -18.555 1.00 0.00 C ATOM 1990 C GLU A 122 20.631 -0.125 -19.484 1.00 0.00 C ATOM 1991 O GLU A 122 20.735 -0.629 -20.584 1.00 0.00 O ATOM 1992 CB GLU A 122 21.654 -0.978 -17.383 1.00 0.00 C ATOM 1993 CG GLU A 122 22.923 -1.074 -16.515 1.00 0.00 C ATOM 1994 CD GLU A 122 22.537 -1.560 -15.116 1.00 0.00 C ATOM 1995 OE1 GLU A 122 21.744 -2.484 -15.029 1.00 0.00 O ATOM 1996 OE2 GLU A 122 23.039 -0.999 -14.157 1.00 0.00 O ATOM 0 H GLU A 122 21.774 1.469 -17.018 1.00 0.00 H new ATOM 0 HA GLU A 122 22.752 -0.237 -19.119 1.00 0.00 H new ATOM 0 HB2 GLU A 122 20.816 -0.648 -16.769 1.00 0.00 H new ATOM 0 HB3 GLU A 122 21.399 -1.966 -17.767 1.00 0.00 H new ATOM 0 HG2 GLU A 122 23.637 -1.761 -16.968 1.00 0.00 H new ATOM 0 HG3 GLU A 122 23.411 -0.101 -16.454 1.00 0.00 H new ATOM 2003 N LYS A 123 19.477 0.306 -19.050 1.00 0.00 N ATOM 2004 CA LYS A 123 18.266 0.177 -19.917 1.00 0.00 C ATOM 2005 C LYS A 123 18.400 1.089 -21.137 1.00 0.00 C ATOM 2006 O LYS A 123 17.990 0.749 -22.230 1.00 0.00 O ATOM 2007 CB LYS A 123 17.024 0.577 -19.118 1.00 0.00 C ATOM 2008 CG LYS A 123 15.819 -0.225 -19.617 1.00 0.00 C ATOM 2009 CD LYS A 123 14.528 0.479 -19.194 1.00 0.00 C ATOM 2010 CE LYS A 123 13.373 -0.522 -19.205 1.00 0.00 C ATOM 2011 NZ LYS A 123 12.432 -0.183 -20.310 1.00 0.00 N ATOM 0 H LYS A 123 19.319 0.739 -18.140 1.00 0.00 H new ATOM 0 HA LYS A 123 18.172 -0.857 -20.250 1.00 0.00 H new ATOM 0 HB2 LYS A 123 17.185 0.390 -18.056 1.00 0.00 H new ATOM 0 HB3 LYS A 123 16.835 1.645 -19.228 1.00 0.00 H new ATOM 0 HG2 LYS A 123 15.856 -0.320 -20.702 1.00 0.00 H new ATOM 0 HG3 LYS A 123 15.846 -1.235 -19.208 1.00 0.00 H new ATOM 0 HD2 LYS A 123 14.644 0.906 -18.198 1.00 0.00 H new ATOM 0 HD3 LYS A 123 14.313 1.305 -19.872 1.00 0.00 H new ATOM 0 HE2 LYS A 123 13.756 -1.534 -19.337 1.00 0.00 H new ATOM 0 HE3 LYS A 123 12.850 -0.501 -18.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 12.026 -1.057 -20.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 11.668 0.419 -19.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 12.944 0.326 -21.059 1.00 0.00 H new ATOM 2025 N TYR A 124 18.963 2.241 -20.950 1.00 0.00 N ATOM 2026 CA TYR A 124 19.129 3.195 -22.080 1.00 0.00 C ATOM 2027 C TYR A 124 20.182 2.666 -23.056 1.00 0.00 C ATOM 2028 O TYR A 124 20.075 2.840 -24.253 1.00 0.00 O ATOM 2029 CB TYR A 124 19.571 4.558 -21.535 1.00 0.00 C ATOM 2030 CG TYR A 124 19.706 5.531 -22.677 1.00 0.00 C ATOM 2031 CD1 TYR A 124 18.840 5.451 -23.774 1.00 0.00 C ATOM 2032 CD2 TYR A 124 20.706 6.507 -22.644 1.00 0.00 C ATOM 2033 CE1 TYR A 124 18.975 6.350 -24.838 1.00 0.00 C ATOM 2034 CE2 TYR A 124 20.844 7.405 -23.710 1.00 0.00 C ATOM 2035 CZ TYR A 124 19.977 7.326 -24.807 1.00 0.00 C ATOM 2036 OH TYR A 124 20.114 8.211 -25.857 1.00 0.00 O ATOM 0 H TYR A 124 19.321 2.570 -20.053 1.00 0.00 H new ATOM 0 HA TYR A 124 18.179 3.302 -22.604 1.00 0.00 H new ATOM 0 HB2 TYR A 124 18.843 4.927 -20.812 1.00 0.00 H new ATOM 0 HB3 TYR A 124 20.521 4.462 -21.010 1.00 0.00 H new ATOM 0 HD1 TYR A 124 18.068 4.696 -23.799 1.00 0.00 H new ATOM 0 HD2 TYR A 124 21.372 6.569 -21.796 1.00 0.00 H new ATOM 0 HE1 TYR A 124 18.305 6.290 -25.683 1.00 0.00 H new ATOM 0 HE2 TYR A 124 21.618 8.158 -23.686 1.00 0.00 H new ATOM 0 HH TYR A 124 20.857 8.823 -25.674 1.00 0.00 H new ATOM 2046 N SER A 125 21.200 2.023 -22.555 1.00 0.00 N ATOM 2047 CA SER A 125 22.259 1.487 -23.454 1.00 0.00 C ATOM 2048 C SER A 125 21.689 0.341 -24.287 1.00 0.00 C ATOM 2049 O SER A 125 21.726 0.361 -25.502 1.00 0.00 O ATOM 2050 CB SER A 125 23.432 0.976 -22.614 1.00 0.00 C ATOM 2051 OG SER A 125 24.205 0.068 -23.386 1.00 0.00 O ATOM 0 H SER A 125 21.344 1.846 -21.561 1.00 0.00 H new ATOM 0 HA SER A 125 22.607 2.279 -24.118 1.00 0.00 H new ATOM 0 HB2 SER A 125 24.051 1.812 -22.288 1.00 0.00 H new ATOM 0 HB3 SER A 125 23.062 0.483 -21.715 1.00 0.00 H new ATOM 0 HG SER A 125 24.957 -0.259 -22.850 1.00 0.00 H new ATOM 2057 N LYS A 126 21.165 -0.655 -23.640 1.00 0.00 N ATOM 2058 CA LYS A 126 20.588 -1.811 -24.385 1.00 0.00 C ATOM 2059 C LYS A 126 19.073 -1.637 -24.500 1.00 0.00 C ATOM 2060 O LYS A 126 18.336 -2.595 -24.622 1.00 0.00 O ATOM 2061 CB LYS A 126 20.899 -3.106 -23.633 1.00 0.00 C ATOM 2062 CG LYS A 126 22.415 -3.303 -23.559 1.00 0.00 C ATOM 2063 CD LYS A 126 22.805 -3.726 -22.140 1.00 0.00 C ATOM 2064 CE LYS A 126 22.464 -5.203 -21.936 1.00 0.00 C ATOM 2065 NZ LYS A 126 22.487 -5.520 -20.480 1.00 0.00 N ATOM 0 H LYS A 126 21.109 -0.723 -22.624 1.00 0.00 H new ATOM 0 HA LYS A 126 21.024 -1.857 -25.383 1.00 0.00 H new ATOM 0 HB2 LYS A 126 20.478 -3.066 -22.629 1.00 0.00 H new ATOM 0 HB3 LYS A 126 20.436 -3.953 -24.139 1.00 0.00 H new ATOM 0 HG2 LYS A 126 22.729 -4.062 -24.276 1.00 0.00 H new ATOM 0 HG3 LYS A 126 22.926 -2.379 -23.828 1.00 0.00 H new ATOM 0 HD2 LYS A 126 23.871 -3.562 -21.980 1.00 0.00 H new ATOM 0 HD3 LYS A 126 22.276 -3.115 -21.409 1.00 0.00 H new ATOM 0 HE2 LYS A 126 21.480 -5.421 -22.351 1.00 0.00 H new ATOM 0 HE3 LYS A 126 23.180 -5.830 -22.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 22.255 -6.524 -20.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 23.435 -5.327 -20.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 21.787 -4.931 -19.985 1.00 0.00 H new