USER MOD reduce.3.24.130724 H: found=0, std=0, add=972, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 972 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 1 GLY N :NH3+ -136:sc= 0 (180deg=-0.223) USER MOD Set 1.2: A 45 LYS NZ :NH3+ 165:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -0.455 K(o=-0.46,f=-1.6) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -1.52 K(o=-1.5,f=-0.95) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot -138:sc= 0.714 USER MOD Single : A 25 ASN : amide:sc= 0.25 X(o=0.25,f=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 HIS : no HD1:sc=-0.00389 X(o=-0.0039,f=-0.2) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 37 THR OG1 : rot 133:sc= 0.166 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0.0182 USER MOD Single : A 49 CYS SG : rot 87:sc= 0.00377 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot -129:sc= 1.34 USER MOD Single : A 64 GLN : amide:sc= -0.0102 X(o=-0.01,f=0) USER MOD Single : A 67 ASN : amide:sc= -11.2! C(o=-11!,f=-30!) USER MOD Single : A 68 ASN : amide:sc= -0.118 X(o=-0.12,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -1.24 K(o=-1.2,f=-2.3) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc=-0.00341 X(o=-0.0034,f=-0.0034) USER MOD Single : A 83 ASN : amide:sc= -0.156 X(o=-0.16,f=-0.16) USER MOD Single : A 84 HIS : no HD1:sc= 0.372 K(o=0.37,f=-1.9!) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 THR OG1 : rot -121:sc= 0.0364 USER MOD Single : A 98 THR OG1 : rot 93:sc= 0.869 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot 180:sc= -0.446 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.0545 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ -149:sc= -0.153 (180deg=-0.42) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.557 -10.950 -13.299 1.00 0.00 N ATOM 2 CA GLY A 1 -5.912 -10.940 -13.917 1.00 0.00 C ATOM 3 C GLY A 1 -6.705 -12.193 -13.597 1.00 0.00 C ATOM 4 O GLY A 1 -7.636 -12.148 -12.792 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.359 -10.019 -12.881 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.519 -11.678 -12.557 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.845 -11.160 -14.027 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.462 -10.066 -13.566 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.814 -10.842 -14.998 1.00 0.00 H new ATOM 10 N PRO A 2 -6.359 -13.335 -14.217 1.00 0.00 N ATOM 11 CA PRO A 2 -7.056 -14.607 -13.984 1.00 0.00 C ATOM 12 C PRO A 2 -7.069 -14.997 -12.510 1.00 0.00 C ATOM 13 O PRO A 2 -8.081 -15.471 -11.992 1.00 0.00 O ATOM 14 CB PRO A 2 -6.245 -15.619 -14.797 1.00 0.00 C ATOM 15 CG PRO A 2 -5.547 -14.808 -15.834 1.00 0.00 C ATOM 16 CD PRO A 2 -5.265 -13.479 -15.195 1.00 0.00 C ATOM 0 HA PRO A 2 -8.105 -14.553 -14.276 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -5.533 -16.152 -14.167 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -6.892 -16.369 -15.252 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -4.624 -15.292 -16.153 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -6.168 -14.691 -16.722 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -4.288 -13.464 -14.711 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -5.271 -12.671 -15.927 1.00 0.00 H new ATOM 24 N VAL A 3 -5.939 -14.796 -11.840 1.00 0.00 N ATOM 25 CA VAL A 3 -5.819 -15.127 -10.426 1.00 0.00 C ATOM 26 C VAL A 3 -5.858 -13.870 -9.563 1.00 0.00 C ATOM 27 O VAL A 3 -6.545 -13.829 -8.543 1.00 0.00 O ATOM 28 CB VAL A 3 -4.513 -15.893 -10.136 1.00 0.00 C ATOM 29 CG1 VAL A 3 -4.531 -16.467 -8.727 1.00 0.00 C ATOM 30 CG2 VAL A 3 -4.299 -16.992 -11.165 1.00 0.00 C ATOM 0 H VAL A 3 -5.093 -14.405 -12.255 1.00 0.00 H new ATOM 0 HA VAL A 3 -6.668 -15.764 -10.177 1.00 0.00 H new ATOM 0 HB VAL A 3 -3.680 -15.194 -10.207 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -3.601 -17.004 -8.541 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -4.633 -15.657 -8.005 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -5.372 -17.152 -8.624 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -3.372 -17.522 -10.944 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.134 -17.691 -11.129 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -4.237 -16.552 -12.160 1.00 0.00 H new ATOM 40 N ASN A 4 -5.115 -12.848 -9.984 1.00 0.00 N ATOM 41 CA ASN A 4 -5.058 -11.582 -9.258 1.00 0.00 C ATOM 42 C ASN A 4 -4.454 -11.777 -7.866 1.00 0.00 C ATOM 43 O ASN A 4 -5.094 -12.349 -6.983 1.00 0.00 O ATOM 44 CB ASN A 4 -6.455 -10.969 -9.140 1.00 0.00 C ATOM 45 CG ASN A 4 -6.420 -9.455 -9.079 1.00 0.00 C ATOM 46 OD1 ASN A 4 -6.595 -8.861 -8.016 1.00 0.00 O ATOM 47 ND2 ASN A 4 -6.190 -8.822 -10.223 1.00 0.00 N ATOM 0 H ASN A 4 -4.542 -12.873 -10.828 1.00 0.00 H new ATOM 0 HA ASN A 4 -4.419 -10.901 -9.820 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -7.059 -11.281 -9.992 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -6.943 -11.355 -8.245 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -6.153 -7.803 -10.243 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -6.050 -9.355 -11.082 1.00 0.00 H new ATOM 54 N PRO A 5 -3.211 -11.302 -7.649 1.00 0.00 N ATOM 55 CA PRO A 5 -2.530 -11.433 -6.354 1.00 0.00 C ATOM 56 C PRO A 5 -3.389 -10.944 -5.192 1.00 0.00 C ATOM 57 O PRO A 5 -3.338 -11.501 -4.095 1.00 0.00 O ATOM 58 CB PRO A 5 -1.293 -10.548 -6.513 1.00 0.00 C ATOM 59 CG PRO A 5 -1.025 -10.533 -7.978 1.00 0.00 C ATOM 60 CD PRO A 5 -2.371 -10.606 -8.644 1.00 0.00 C ATOM 0 HA PRO A 5 -2.301 -12.472 -6.119 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -1.474 -9.542 -6.133 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -0.445 -10.950 -5.959 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -0.494 -9.627 -8.269 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -0.399 -11.376 -8.269 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -2.760 -9.614 -8.873 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -2.324 -11.155 -9.584 1.00 0.00 H new ATOM 68 N ALA A 6 -4.175 -9.900 -5.437 1.00 0.00 N ATOM 69 CA ALA A 6 -5.041 -9.339 -4.407 1.00 0.00 C ATOM 70 C ALA A 6 -6.130 -10.330 -4.006 1.00 0.00 C ATOM 71 O ALA A 6 -6.512 -10.408 -2.838 1.00 0.00 O ATOM 72 CB ALA A 6 -5.662 -8.036 -4.891 1.00 0.00 C ATOM 0 H ALA A 6 -4.230 -9.426 -6.339 1.00 0.00 H new ATOM 0 HA ALA A 6 -4.432 -9.133 -3.527 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -6.306 -7.628 -4.112 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -4.873 -7.320 -5.121 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -6.252 -8.225 -5.788 1.00 0.00 H new ATOM 78 N GLU A 7 -6.626 -11.084 -4.982 1.00 0.00 N ATOM 79 CA GLU A 7 -7.670 -12.072 -4.732 1.00 0.00 C ATOM 80 C GLU A 7 -7.103 -13.300 -4.026 1.00 0.00 C ATOM 81 O GLU A 7 -7.683 -13.793 -3.058 1.00 0.00 O ATOM 82 CB GLU A 7 -8.334 -12.486 -6.047 1.00 0.00 C ATOM 83 CG GLU A 7 -9.404 -11.516 -6.519 1.00 0.00 C ATOM 84 CD GLU A 7 -10.808 -12.014 -6.238 1.00 0.00 C ATOM 85 OE1 GLU A 7 -11.306 -12.855 -7.015 1.00 0.00 O ATOM 86 OE2 GLU A 7 -11.410 -11.563 -5.241 1.00 0.00 O ATOM 0 H GLU A 7 -6.322 -11.030 -5.954 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.417 -11.616 -4.082 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -7.569 -12.574 -6.819 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.779 -13.474 -5.925 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -9.259 -10.554 -6.028 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.290 -11.348 -7.590 1.00 0.00 H new ATOM 93 N ASN A 8 -5.969 -13.790 -4.517 1.00 0.00 N ATOM 94 CA ASN A 8 -5.323 -14.962 -3.935 1.00 0.00 C ATOM 95 C ASN A 8 -4.927 -14.701 -2.485 1.00 0.00 C ATOM 96 O ASN A 8 -4.930 -15.611 -1.657 1.00 0.00 O ATOM 97 CB ASN A 8 -4.089 -15.349 -4.752 1.00 0.00 C ATOM 98 CG ASN A 8 -3.807 -16.837 -4.703 1.00 0.00 C ATOM 99 OD1 ASN A 8 -4.368 -17.613 -5.478 1.00 0.00 O ATOM 100 ND2 ASN A 8 -2.933 -17.245 -3.789 1.00 0.00 N ATOM 0 H ASN A 8 -5.478 -13.393 -5.318 1.00 0.00 H new ATOM 0 HA ASN A 8 -6.036 -15.786 -3.955 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -4.232 -15.043 -5.788 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -3.222 -14.805 -4.376 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -2.703 -18.236 -3.709 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -2.492 -16.568 -3.167 1.00 0.00 H new ATOM 107 N PHE A 9 -4.585 -13.452 -2.189 1.00 0.00 N ATOM 108 CA PHE A 9 -4.189 -13.066 -0.840 1.00 0.00 C ATOM 109 C PHE A 9 -5.411 -12.945 0.066 1.00 0.00 C ATOM 110 O PHE A 9 -5.431 -13.480 1.174 1.00 0.00 O ATOM 111 CB PHE A 9 -3.420 -11.741 -0.878 1.00 0.00 C ATOM 112 CG PHE A 9 -3.496 -10.950 0.399 1.00 0.00 C ATOM 113 CD1 PHE A 9 -2.787 -11.348 1.520 1.00 0.00 C ATOM 114 CD2 PHE A 9 -4.277 -9.808 0.475 1.00 0.00 C ATOM 115 CE1 PHE A 9 -2.854 -10.622 2.694 1.00 0.00 C ATOM 116 CE2 PHE A 9 -4.350 -9.078 1.646 1.00 0.00 C ATOM 117 CZ PHE A 9 -3.637 -9.486 2.757 1.00 0.00 C ATOM 0 H PHE A 9 -4.574 -12.689 -2.866 1.00 0.00 H new ATOM 0 HA PHE A 9 -3.538 -13.840 -0.434 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -2.374 -11.947 -1.104 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -3.808 -11.131 -1.694 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -2.174 -12.236 1.476 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -4.835 -9.485 -0.391 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -2.295 -10.942 3.561 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -4.963 -8.190 1.693 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.692 -8.917 3.674 1.00 0.00 H new ATOM 127 N ARG A 10 -6.427 -12.237 -0.418 1.00 0.00 N ATOM 128 CA ARG A 10 -7.658 -12.038 0.341 1.00 0.00 C ATOM 129 C ARG A 10 -8.296 -13.371 0.722 1.00 0.00 C ATOM 130 O ARG A 10 -8.853 -13.511 1.810 1.00 0.00 O ATOM 131 CB ARG A 10 -8.648 -11.202 -0.471 1.00 0.00 C ATOM 132 CG ARG A 10 -8.498 -9.705 -0.260 1.00 0.00 C ATOM 133 CD ARG A 10 -9.560 -8.928 -1.022 1.00 0.00 C ATOM 134 NE ARG A 10 -9.404 -7.485 -0.857 1.00 0.00 N ATOM 135 CZ ARG A 10 -10.426 -6.638 -0.778 1.00 0.00 C ATOM 136 NH1 ARG A 10 -11.672 -7.088 -0.848 1.00 0.00 N ATOM 137 NH2 ARG A 10 -10.202 -5.339 -0.629 1.00 0.00 N ATOM 0 H ARG A 10 -6.422 -11.790 -1.335 1.00 0.00 H new ATOM 0 HA ARG A 10 -7.404 -11.508 1.259 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.517 -11.426 -1.530 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -9.663 -11.498 -0.206 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -8.571 -9.477 0.803 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -7.508 -9.387 -0.587 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -9.504 -9.180 -2.081 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -10.549 -9.228 -0.674 1.00 0.00 H new ATOM 0 HE ARG A 10 -8.459 -7.106 -0.799 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -11.848 -8.086 -0.963 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -12.454 -6.436 -0.787 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -9.245 -4.989 -0.575 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -10.986 -4.690 -0.568 1.00 0.00 H new ATOM 151 N VAL A 11 -8.207 -14.348 -0.176 1.00 0.00 N ATOM 152 CA VAL A 11 -8.787 -15.664 0.073 1.00 0.00 C ATOM 153 C VAL A 11 -7.880 -16.510 0.964 1.00 0.00 C ATOM 154 O VAL A 11 -8.355 -17.217 1.852 1.00 0.00 O ATOM 155 CB VAL A 11 -9.066 -16.421 -1.242 1.00 0.00 C ATOM 156 CG1 VAL A 11 -7.775 -16.681 -2.003 1.00 0.00 C ATOM 157 CG2 VAL A 11 -9.798 -17.725 -0.962 1.00 0.00 C ATOM 0 H VAL A 11 -7.741 -14.254 -1.079 1.00 0.00 H new ATOM 0 HA VAL A 11 -9.734 -15.497 0.587 1.00 0.00 H new ATOM 0 HB VAL A 11 -9.704 -15.796 -1.866 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -7.998 -17.216 -2.926 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -7.295 -15.732 -2.241 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -7.105 -17.282 -1.388 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -9.986 -18.245 -1.901 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -9.186 -18.354 -0.315 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -10.746 -17.511 -0.469 1.00 0.00 H new ATOM 167 N LEU A 12 -6.576 -16.434 0.720 1.00 0.00 N ATOM 168 CA LEU A 12 -5.604 -17.191 1.502 1.00 0.00 C ATOM 169 C LEU A 12 -5.696 -16.839 2.983 1.00 0.00 C ATOM 170 O LEU A 12 -5.440 -17.677 3.847 1.00 0.00 O ATOM 171 CB LEU A 12 -4.187 -16.925 0.992 1.00 0.00 C ATOM 172 CG LEU A 12 -3.106 -17.830 1.586 1.00 0.00 C ATOM 173 CD1 LEU A 12 -2.683 -18.887 0.577 1.00 0.00 C ATOM 174 CD2 LEU A 12 -1.908 -17.005 2.030 1.00 0.00 C ATOM 0 H LEU A 12 -6.167 -15.855 -0.014 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.834 -18.250 1.385 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.180 -17.039 -0.092 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.929 -15.888 1.205 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.519 -18.335 2.459 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.914 -19.522 1.016 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.545 -19.496 0.306 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.287 -18.401 -0.315 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.148 -17.664 2.450 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.494 -16.474 1.173 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.222 -16.285 2.786 1.00 0.00 H new ATOM 186 N VAL A 13 -6.056 -15.592 3.273 1.00 0.00 N ATOM 187 CA VAL A 13 -6.177 -15.137 4.654 1.00 0.00 C ATOM 188 C VAL A 13 -7.614 -15.258 5.156 1.00 0.00 C ATOM 189 O VAL A 13 -7.891 -15.014 6.331 1.00 0.00 O ATOM 190 CB VAL A 13 -5.706 -13.680 4.815 1.00 0.00 C ATOM 191 CG1 VAL A 13 -4.229 -13.556 4.471 1.00 0.00 C ATOM 192 CG2 VAL A 13 -6.540 -12.745 3.955 1.00 0.00 C ATOM 0 H VAL A 13 -6.268 -14.881 2.573 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.534 -15.783 5.251 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.841 -13.390 5.857 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -3.913 -12.520 4.590 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.646 -14.192 5.137 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.068 -13.868 3.439 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.189 -11.721 4.085 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.444 -13.031 2.908 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.586 -12.811 4.255 1.00 0.00 H new ATOM 202 N LYS A 14 -8.523 -15.634 4.262 1.00 0.00 N ATOM 203 CA LYS A 14 -9.930 -15.782 4.617 1.00 0.00 C ATOM 204 C LYS A 14 -10.404 -17.219 4.411 1.00 0.00 C ATOM 205 O LYS A 14 -11.539 -17.452 3.993 1.00 0.00 O ATOM 206 CB LYS A 14 -10.787 -14.828 3.785 1.00 0.00 C ATOM 207 CG LYS A 14 -12.034 -14.351 4.507 1.00 0.00 C ATOM 208 CD LYS A 14 -13.160 -14.045 3.531 1.00 0.00 C ATOM 209 CE LYS A 14 -14.461 -13.750 4.259 1.00 0.00 C ATOM 210 NZ LYS A 14 -15.504 -13.216 3.337 1.00 0.00 N ATOM 0 H LYS A 14 -8.310 -15.842 3.286 1.00 0.00 H new ATOM 0 HA LYS A 14 -10.037 -15.535 5.673 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -10.186 -13.963 3.504 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -11.080 -15.327 2.861 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -12.361 -15.114 5.214 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -11.801 -13.458 5.087 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -12.885 -13.190 2.913 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -13.301 -14.892 2.859 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -14.827 -14.661 4.733 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -14.276 -13.029 5.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -16.376 -13.027 3.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -15.165 -12.333 2.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -15.699 -13.915 2.592 1.00 0.00 H new ATOM 224 N GLN A 15 -9.531 -18.178 4.705 1.00 0.00 N ATOM 225 CA GLN A 15 -9.869 -19.589 4.553 1.00 0.00 C ATOM 226 C GLN A 15 -9.855 -20.302 5.902 1.00 0.00 C ATOM 227 O GLN A 15 -10.688 -21.169 6.165 1.00 0.00 O ATOM 228 CB GLN A 15 -8.896 -20.272 3.590 1.00 0.00 C ATOM 229 CG GLN A 15 -7.436 -20.005 3.911 1.00 0.00 C ATOM 230 CD GLN A 15 -6.499 -20.957 3.192 1.00 0.00 C ATOM 231 OE1 GLN A 15 -5.502 -20.539 2.604 1.00 0.00 O ATOM 232 NE2 GLN A 15 -6.818 -22.245 3.235 1.00 0.00 N ATOM 0 H GLN A 15 -8.587 -18.004 5.049 1.00 0.00 H new ATOM 0 HA GLN A 15 -10.876 -19.650 4.141 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -9.073 -21.347 3.610 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -9.104 -19.933 2.575 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -7.189 -18.980 3.636 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -7.282 -20.092 4.987 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -7.655 -22.547 3.735 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -6.227 -22.933 2.769 1.00 0.00 H new ATOM 241 N LYS A 16 -8.901 -19.933 6.752 1.00 0.00 N ATOM 242 CA LYS A 16 -8.778 -20.536 8.074 1.00 0.00 C ATOM 243 C LYS A 16 -7.908 -19.675 8.985 1.00 0.00 C ATOM 244 O LYS A 16 -8.408 -19.025 9.903 1.00 0.00 O ATOM 245 CB LYS A 16 -8.190 -21.947 7.965 1.00 0.00 C ATOM 246 CG LYS A 16 -7.092 -22.072 6.921 1.00 0.00 C ATOM 247 CD LYS A 16 -6.607 -23.506 6.792 1.00 0.00 C ATOM 248 CE LYS A 16 -5.309 -23.586 6.004 1.00 0.00 C ATOM 249 NZ LYS A 16 -4.752 -24.967 5.993 1.00 0.00 N ATOM 0 H LYS A 16 -8.202 -19.219 6.548 1.00 0.00 H new ATOM 0 HA LYS A 16 -9.775 -20.601 8.510 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -7.791 -22.241 8.936 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -8.990 -22.647 7.724 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.464 -21.724 5.957 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.256 -21.427 7.192 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -6.458 -23.932 7.784 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -7.371 -24.107 6.299 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.485 -23.257 4.980 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.578 -22.903 6.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.868 -24.980 5.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.560 -25.272 6.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.439 -25.615 5.557 1.00 0.00 H new ATOM 263 N LYS A 17 -6.604 -19.673 8.721 1.00 0.00 N ATOM 264 CA LYS A 17 -5.661 -18.892 9.510 1.00 0.00 C ATOM 265 C LYS A 17 -4.258 -18.975 8.915 1.00 0.00 C ATOM 266 O LYS A 17 -3.386 -19.668 9.442 1.00 0.00 O ATOM 267 CB LYS A 17 -5.644 -19.377 10.963 1.00 0.00 C ATOM 268 CG LYS A 17 -5.469 -18.257 11.975 1.00 0.00 C ATOM 269 CD LYS A 17 -6.789 -17.566 12.275 1.00 0.00 C ATOM 270 CE LYS A 17 -6.574 -16.230 12.966 1.00 0.00 C ATOM 271 NZ LYS A 17 -6.311 -15.135 11.992 1.00 0.00 N ATOM 0 H LYS A 17 -6.177 -20.206 7.963 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.986 -17.852 9.491 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -6.575 -19.903 11.173 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.836 -20.098 11.087 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.051 -18.661 12.897 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.754 -17.528 11.593 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -7.340 -17.412 11.347 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -7.402 -18.209 12.907 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.454 -15.983 13.560 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.735 -16.310 13.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -6.170 -14.241 12.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.457 -15.357 11.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -7.122 -15.041 11.348 1.00 0.00 H new ATOM 285 N ALA A 18 -4.048 -18.263 7.812 1.00 0.00 N ATOM 286 CA ALA A 18 -2.753 -18.256 7.142 1.00 0.00 C ATOM 287 C ALA A 18 -1.791 -17.280 7.810 1.00 0.00 C ATOM 288 O ALA A 18 -0.650 -17.127 7.372 1.00 0.00 O ATOM 289 CB ALA A 18 -2.924 -17.904 5.672 1.00 0.00 C ATOM 0 H ALA A 18 -4.758 -17.684 7.364 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.327 -19.256 7.221 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.950 -17.902 5.183 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -3.569 -18.641 5.194 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -3.376 -16.916 5.585 1.00 0.00 H new ATOM 295 N SER A 19 -2.257 -16.633 8.876 1.00 0.00 N ATOM 296 CA SER A 19 -1.444 -15.666 9.613 1.00 0.00 C ATOM 297 C SER A 19 -1.051 -14.481 8.734 1.00 0.00 C ATOM 298 O SER A 19 -0.631 -14.652 7.590 1.00 0.00 O ATOM 299 CB SER A 19 -0.189 -16.339 10.173 1.00 0.00 C ATOM 300 OG SER A 19 -0.512 -17.546 10.842 1.00 0.00 O ATOM 0 H SER A 19 -3.197 -16.761 9.250 1.00 0.00 H new ATOM 0 HA SER A 19 -2.048 -15.290 10.439 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.509 -16.545 9.362 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.314 -15.661 10.862 1.00 0.00 H new ATOM 0 HG SER A 19 0.307 -17.957 11.189 1.00 0.00 H new ATOM 306 N PHE A 20 -1.199 -13.276 9.277 1.00 0.00 N ATOM 307 CA PHE A 20 -0.852 -12.059 8.551 1.00 0.00 C ATOM 308 C PHE A 20 0.660 -11.839 8.554 1.00 0.00 C ATOM 309 O PHE A 20 1.155 -10.846 9.090 1.00 0.00 O ATOM 310 CB PHE A 20 -1.561 -10.855 9.178 1.00 0.00 C ATOM 311 CG PHE A 20 -1.992 -9.820 8.178 1.00 0.00 C ATOM 312 CD1 PHE A 20 -3.013 -10.087 7.280 1.00 0.00 C ATOM 313 CD2 PHE A 20 -1.378 -8.579 8.139 1.00 0.00 C ATOM 314 CE1 PHE A 20 -3.413 -9.136 6.361 1.00 0.00 C ATOM 315 CE2 PHE A 20 -1.774 -7.623 7.222 1.00 0.00 C ATOM 316 CZ PHE A 20 -2.793 -7.902 6.333 1.00 0.00 C ATOM 0 H PHE A 20 -1.557 -13.117 10.219 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.180 -12.168 7.517 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -2.436 -11.205 9.726 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -0.895 -10.390 9.905 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.502 -11.050 7.299 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.581 -8.356 8.833 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -4.209 -9.357 5.666 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -1.287 -6.659 7.201 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.105 -7.156 5.617 1.00 0.00 H new ATOM 326 N GLU A 21 1.389 -12.769 7.943 1.00 0.00 N ATOM 327 CA GLU A 21 2.844 -12.684 7.878 1.00 0.00 C ATOM 328 C GLU A 21 3.358 -13.157 6.523 1.00 0.00 C ATOM 329 O GLU A 21 3.969 -12.390 5.779 1.00 0.00 O ATOM 330 CB GLU A 21 3.475 -13.519 8.995 1.00 0.00 C ATOM 331 CG GLU A 21 4.310 -12.701 9.967 1.00 0.00 C ATOM 332 CD GLU A 21 5.019 -13.563 10.993 1.00 0.00 C ATOM 333 OE1 GLU A 21 5.825 -14.427 10.589 1.00 0.00 O ATOM 334 OE2 GLU A 21 4.768 -13.373 12.202 1.00 0.00 O ATOM 0 H GLU A 21 0.995 -13.591 7.485 1.00 0.00 H new ATOM 0 HA GLU A 21 3.127 -11.640 8.009 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.685 -14.029 9.547 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.103 -14.291 8.550 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.048 -12.124 9.410 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.667 -11.986 10.480 1.00 0.00 H new ATOM 341 N GLU A 22 3.113 -14.426 6.212 1.00 0.00 N ATOM 342 CA GLU A 22 3.549 -15.000 4.944 1.00 0.00 C ATOM 343 C GLU A 22 2.834 -14.336 3.772 1.00 0.00 C ATOM 344 O GLU A 22 3.459 -13.969 2.776 1.00 0.00 O ATOM 345 CB GLU A 22 3.287 -16.507 4.929 1.00 0.00 C ATOM 346 CG GLU A 22 4.343 -17.315 5.665 1.00 0.00 C ATOM 347 CD GLU A 22 4.388 -18.762 5.213 1.00 0.00 C ATOM 348 OE1 GLU A 22 3.575 -19.566 5.715 1.00 0.00 O ATOM 349 OE2 GLU A 22 5.237 -19.091 4.358 1.00 0.00 O ATOM 0 H GLU A 22 2.615 -15.076 6.820 1.00 0.00 H new ATOM 0 HA GLU A 22 4.619 -14.822 4.840 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.313 -16.703 5.378 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.235 -16.848 3.895 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.320 -16.858 5.508 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.143 -17.278 6.736 1.00 0.00 H new ATOM 356 N ALA A 23 1.519 -14.181 3.901 1.00 0.00 N ATOM 357 CA ALA A 23 0.716 -13.562 2.853 1.00 0.00 C ATOM 358 C ALA A 23 0.997 -12.067 2.761 1.00 0.00 C ATOM 359 O ALA A 23 0.842 -11.460 1.700 1.00 0.00 O ATOM 360 CB ALA A 23 -0.763 -13.810 3.109 1.00 0.00 C ATOM 0 H ALA A 23 0.988 -14.476 4.721 1.00 0.00 H new ATOM 0 HA ALA A 23 0.989 -14.016 1.900 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.352 -13.343 2.320 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.956 -14.883 3.119 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.042 -13.382 4.072 1.00 0.00 H new ATOM 366 N SER A 24 1.412 -11.480 3.878 1.00 0.00 N ATOM 367 CA SER A 24 1.717 -10.055 3.926 1.00 0.00 C ATOM 368 C SER A 24 3.054 -9.771 3.252 1.00 0.00 C ATOM 369 O SER A 24 3.127 -9.006 2.288 1.00 0.00 O ATOM 370 CB SER A 24 1.748 -9.569 5.375 1.00 0.00 C ATOM 371 OG SER A 24 0.518 -9.829 6.028 1.00 0.00 O ATOM 0 H SER A 24 1.545 -11.969 4.763 1.00 0.00 H new ATOM 0 HA SER A 24 0.935 -9.518 3.389 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.559 -10.064 5.910 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.956 -8.499 5.398 1.00 0.00 H new ATOM 0 HG SER A 24 0.271 -9.057 6.579 1.00 0.00 H new ATOM 377 N ASN A 25 4.110 -10.387 3.774 1.00 0.00 N ATOM 378 CA ASN A 25 5.451 -10.210 3.225 1.00 0.00 C ATOM 379 C ASN A 25 5.473 -10.526 1.733 1.00 0.00 C ATOM 380 O ASN A 25 6.121 -9.830 0.950 1.00 0.00 O ATOM 381 CB ASN A 25 6.449 -11.105 3.963 1.00 0.00 C ATOM 382 CG ASN A 25 7.062 -10.416 5.167 1.00 0.00 C ATOM 383 OD1 ASN A 25 8.067 -9.714 5.050 1.00 0.00 O ATOM 384 ND2 ASN A 25 6.459 -10.616 6.333 1.00 0.00 N ATOM 0 H ASN A 25 4.063 -11.014 4.577 1.00 0.00 H new ATOM 0 HA ASN A 25 5.739 -9.168 3.362 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.946 -12.016 4.286 1.00 0.00 H new ATOM 0 HB3 ASN A 25 7.241 -11.405 3.277 1.00 0.00 H new ATOM 0 HD21 ASN A 25 6.827 -10.180 7.179 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.628 -11.206 6.383 1.00 0.00 H new ATOM 391 N GLN A 26 4.762 -11.581 1.346 1.00 0.00 N ATOM 392 CA GLN A 26 4.697 -11.989 -0.053 1.00 0.00 C ATOM 393 C GLN A 26 4.052 -10.899 -0.901 1.00 0.00 C ATOM 394 O GLN A 26 4.547 -10.562 -1.977 1.00 0.00 O ATOM 395 CB GLN A 26 3.911 -13.294 -0.194 1.00 0.00 C ATOM 396 CG GLN A 26 4.775 -14.540 -0.085 1.00 0.00 C ATOM 397 CD GLN A 26 4.027 -15.803 -0.466 1.00 0.00 C ATOM 398 OE1 GLN A 26 2.977 -16.110 0.096 1.00 0.00 O ATOM 399 NE2 GLN A 26 4.568 -16.543 -1.426 1.00 0.00 N ATOM 0 H GLN A 26 4.223 -12.169 1.982 1.00 0.00 H new ATOM 0 HA GLN A 26 5.715 -12.151 -0.407 1.00 0.00 H new ATOM 0 HB2 GLN A 26 3.140 -13.329 0.575 1.00 0.00 H new ATOM 0 HB3 GLN A 26 3.401 -13.299 -1.157 1.00 0.00 H new ATOM 0 HG2 GLN A 26 5.647 -14.430 -0.729 1.00 0.00 H new ATOM 0 HG3 GLN A 26 5.143 -14.634 0.937 1.00 0.00 H new ATOM 0 HE21 GLN A 26 5.441 -16.250 -1.865 1.00 0.00 H new ATOM 0 HE22 GLN A 26 4.111 -17.405 -1.725 1.00 0.00 H new ATOM 408 N LEU A 27 2.940 -10.359 -0.412 1.00 0.00 N ATOM 409 CA LEU A 27 2.229 -9.302 -1.120 1.00 0.00 C ATOM 410 C LEU A 27 3.148 -8.110 -1.372 1.00 0.00 C ATOM 411 O LEU A 27 3.165 -7.548 -2.468 1.00 0.00 O ATOM 412 CB LEU A 27 1.000 -8.857 -0.321 1.00 0.00 C ATOM 413 CG LEU A 27 -0.231 -8.490 -1.156 1.00 0.00 C ATOM 414 CD1 LEU A 27 0.055 -7.281 -2.035 1.00 0.00 C ATOM 415 CD2 LEU A 27 -0.678 -9.673 -2.004 1.00 0.00 C ATOM 0 H LEU A 27 2.512 -10.636 0.472 1.00 0.00 H new ATOM 0 HA LEU A 27 1.901 -9.697 -2.081 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.726 -9.657 0.367 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.276 -7.995 0.287 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.040 -8.233 -0.473 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.832 -7.038 -2.619 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.321 -6.430 -1.408 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.882 -7.508 -2.708 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.553 -9.391 -2.589 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.129 -9.965 -2.676 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.930 -10.511 -1.355 1.00 0.00 H new ATOM 427 N ILE A 28 3.911 -7.728 -0.351 1.00 0.00 N ATOM 428 CA ILE A 28 4.833 -6.604 -0.471 1.00 0.00 C ATOM 429 C ILE A 28 5.935 -6.914 -1.479 1.00 0.00 C ATOM 430 O ILE A 28 6.303 -6.063 -2.294 1.00 0.00 O ATOM 431 CB ILE A 28 5.465 -6.246 0.892 1.00 0.00 C ATOM 432 CG1 ILE A 28 4.478 -5.439 1.736 1.00 0.00 C ATOM 433 CG2 ILE A 28 6.761 -5.468 0.701 1.00 0.00 C ATOM 434 CD1 ILE A 28 4.111 -6.107 3.040 1.00 0.00 C ATOM 0 H ILE A 28 3.909 -8.178 0.564 1.00 0.00 H new ATOM 0 HA ILE A 28 4.257 -5.748 -0.822 1.00 0.00 H new ATOM 0 HB ILE A 28 5.700 -7.173 1.416 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.909 -4.460 1.947 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.571 -5.269 1.156 1.00 0.00 H new ATOM 0 HG21 ILE A 28 7.188 -5.227 1.675 1.00 0.00 H new ATOM 0 HG22 ILE A 28 7.469 -6.073 0.134 1.00 0.00 H new ATOM 0 HG23 ILE A 28 6.555 -4.546 0.157 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.408 -5.478 3.586 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.651 -7.074 2.837 1.00 0.00 H new ATOM 0 HD13 ILE A 28 5.009 -6.252 3.640 1.00 0.00 H new ATOM 446 N ASN A 29 6.457 -8.136 -1.422 1.00 0.00 N ATOM 447 CA ASN A 29 7.514 -8.559 -2.331 1.00 0.00 C ATOM 448 C ASN A 29 7.032 -8.492 -3.775 1.00 0.00 C ATOM 449 O ASN A 29 7.753 -8.030 -4.658 1.00 0.00 O ATOM 450 CB ASN A 29 7.968 -9.981 -1.996 1.00 0.00 C ATOM 451 CG ASN A 29 9.462 -10.167 -2.173 1.00 0.00 C ATOM 452 OD1 ASN A 29 9.912 -10.813 -3.119 1.00 0.00 O ATOM 453 ND2 ASN A 29 10.241 -9.600 -1.258 1.00 0.00 N ATOM 0 H ASN A 29 6.164 -8.850 -0.755 1.00 0.00 H new ATOM 0 HA ASN A 29 8.361 -7.883 -2.212 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.695 -10.214 -0.967 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.438 -10.688 -2.634 1.00 0.00 H new ATOM 0 HD21 ASN A 29 11.255 -9.692 -1.324 1.00 0.00 H new ATOM 0 HD22 ASN A 29 9.825 -9.073 -0.490 1.00 0.00 H new ATOM 460 N HIS A 30 5.809 -8.962 -4.005 1.00 0.00 N ATOM 461 CA HIS A 30 5.222 -8.945 -5.339 1.00 0.00 C ATOM 462 C HIS A 30 5.148 -7.516 -5.863 1.00 0.00 C ATOM 463 O HIS A 30 5.545 -7.237 -6.996 1.00 0.00 O ATOM 464 CB HIS A 30 3.826 -9.568 -5.316 1.00 0.00 C ATOM 465 CG HIS A 30 3.658 -10.698 -6.284 1.00 0.00 C ATOM 466 ND1 HIS A 30 4.505 -11.786 -6.324 1.00 0.00 N ATOM 467 CD2 HIS A 30 2.734 -10.907 -7.251 1.00 0.00 C ATOM 468 CE1 HIS A 30 4.109 -12.613 -7.276 1.00 0.00 C ATOM 469 NE2 HIS A 30 3.037 -12.103 -7.852 1.00 0.00 N ATOM 0 H HIS A 30 5.206 -9.359 -3.284 1.00 0.00 H new ATOM 0 HA HIS A 30 5.855 -9.533 -6.004 1.00 0.00 H new ATOM 0 HB2 HIS A 30 3.615 -9.929 -4.309 1.00 0.00 H new ATOM 0 HB3 HIS A 30 3.089 -8.796 -5.540 1.00 0.00 H new ATOM 0 HD2 HIS A 30 1.911 -10.254 -7.503 1.00 0.00 H new ATOM 0 HE1 HIS A 30 4.583 -13.548 -7.538 1.00 0.00 H new ATOM 0 HE2 HIS A 30 2.518 -12.529 -8.620 1.00 0.00 H new ATOM 478 N ILE A 31 4.632 -6.616 -5.031 1.00 0.00 N ATOM 479 CA ILE A 31 4.520 -5.212 -5.406 1.00 0.00 C ATOM 480 C ILE A 31 5.874 -4.676 -5.852 1.00 0.00 C ATOM 481 O ILE A 31 5.980 -3.991 -6.871 1.00 0.00 O ATOM 482 CB ILE A 31 3.992 -4.352 -4.239 1.00 0.00 C ATOM 483 CG1 ILE A 31 2.591 -4.811 -3.832 1.00 0.00 C ATOM 484 CG2 ILE A 31 3.980 -2.880 -4.624 1.00 0.00 C ATOM 485 CD1 ILE A 31 2.184 -4.356 -2.446 1.00 0.00 C ATOM 0 H ILE A 31 4.286 -6.834 -4.096 1.00 0.00 H new ATOM 0 HA ILE A 31 3.808 -5.150 -6.229 1.00 0.00 H new ATOM 0 HB ILE A 31 4.659 -4.478 -3.386 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.869 -4.433 -4.556 1.00 0.00 H new ATOM 0 HG13 ILE A 31 2.547 -5.899 -3.876 1.00 0.00 H new ATOM 0 HG21 ILE A 31 3.605 -2.289 -3.789 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.993 -2.560 -4.869 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.334 -2.736 -5.490 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.180 -4.718 -2.225 1.00 0.00 H new ATOM 0 HD12 ILE A 31 2.884 -4.756 -1.712 1.00 0.00 H new ATOM 0 HD13 ILE A 31 2.195 -3.267 -2.403 1.00 0.00 H new ATOM 497 N GLU A 32 6.908 -4.993 -5.078 1.00 0.00 N ATOM 498 CA GLU A 32 8.262 -4.558 -5.398 1.00 0.00 C ATOM 499 C GLU A 32 8.791 -5.317 -6.610 1.00 0.00 C ATOM 500 O GLU A 32 9.630 -4.810 -7.357 1.00 0.00 O ATOM 501 CB GLU A 32 9.189 -4.774 -4.201 1.00 0.00 C ATOM 502 CG GLU A 32 8.763 -4.015 -2.955 1.00 0.00 C ATOM 503 CD GLU A 32 9.799 -4.078 -1.851 1.00 0.00 C ATOM 504 OE1 GLU A 32 10.790 -3.319 -1.921 1.00 0.00 O ATOM 505 OE2 GLU A 32 9.622 -4.886 -0.915 1.00 0.00 O ATOM 0 H GLU A 32 6.833 -5.549 -4.226 1.00 0.00 H new ATOM 0 HA GLU A 32 8.234 -3.494 -5.633 1.00 0.00 H new ATOM 0 HB2 GLU A 32 9.229 -5.839 -3.971 1.00 0.00 H new ATOM 0 HB3 GLU A 32 10.199 -4.468 -4.475 1.00 0.00 H new ATOM 0 HG2 GLU A 32 8.577 -2.973 -3.215 1.00 0.00 H new ATOM 0 HG3 GLU A 32 7.822 -4.425 -2.589 1.00 0.00 H new ATOM 512 N GLN A 33 8.288 -6.533 -6.798 1.00 0.00 N ATOM 513 CA GLN A 33 8.700 -7.369 -7.917 1.00 0.00 C ATOM 514 C GLN A 33 8.232 -6.763 -9.232 1.00 0.00 C ATOM 515 O GLN A 33 8.854 -6.962 -10.276 1.00 0.00 O ATOM 516 CB GLN A 33 8.138 -8.783 -7.761 1.00 0.00 C ATOM 517 CG GLN A 33 9.149 -9.784 -7.223 1.00 0.00 C ATOM 518 CD GLN A 33 10.004 -10.392 -8.316 1.00 0.00 C ATOM 519 OE1 GLN A 33 10.948 -9.770 -8.801 1.00 0.00 O ATOM 520 NE2 GLN A 33 9.678 -11.619 -8.709 1.00 0.00 N ATOM 0 H GLN A 33 7.592 -6.961 -6.187 1.00 0.00 H new ATOM 0 HA GLN A 33 9.789 -7.423 -7.924 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.279 -8.752 -7.091 1.00 0.00 H new ATOM 0 HB3 GLN A 33 7.775 -9.130 -8.729 1.00 0.00 H new ATOM 0 HG2 GLN A 33 9.793 -9.289 -6.496 1.00 0.00 H new ATOM 0 HG3 GLN A 33 8.622 -10.578 -6.694 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.887 -12.099 -8.280 1.00 0.00 H new ATOM 0 HE22 GLN A 33 10.219 -12.081 -9.440 1.00 0.00 H new ATOM 529 N PHE A 34 7.128 -6.023 -9.175 1.00 0.00 N ATOM 530 CA PHE A 34 6.582 -5.377 -10.359 1.00 0.00 C ATOM 531 C PHE A 34 7.309 -4.065 -10.621 1.00 0.00 C ATOM 532 O PHE A 34 7.382 -3.597 -11.758 1.00 0.00 O ATOM 533 CB PHE A 34 5.082 -5.121 -10.187 1.00 0.00 C ATOM 534 CG PHE A 34 4.245 -6.367 -10.261 1.00 0.00 C ATOM 535 CD1 PHE A 34 4.260 -7.161 -11.397 1.00 0.00 C ATOM 536 CD2 PHE A 34 3.442 -6.742 -9.196 1.00 0.00 C ATOM 537 CE1 PHE A 34 3.490 -8.306 -11.468 1.00 0.00 C ATOM 538 CE2 PHE A 34 2.671 -7.886 -9.262 1.00 0.00 C ATOM 539 CZ PHE A 34 2.694 -8.669 -10.399 1.00 0.00 C ATOM 0 H PHE A 34 6.596 -5.857 -8.321 1.00 0.00 H new ATOM 0 HA PHE A 34 6.726 -6.039 -11.213 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.913 -4.637 -9.225 1.00 0.00 H new ATOM 0 HB3 PHE A 34 4.750 -4.425 -10.957 1.00 0.00 H new ATOM 0 HD1 PHE A 34 4.880 -6.882 -12.236 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.419 -6.133 -8.304 1.00 0.00 H new ATOM 0 HE1 PHE A 34 3.510 -8.917 -12.359 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.050 -8.168 -8.424 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.091 -9.563 -10.452 1.00 0.00 H new ATOM 549 N LEU A 35 7.845 -3.478 -9.555 1.00 0.00 N ATOM 550 CA LEU A 35 8.579 -2.222 -9.660 1.00 0.00 C ATOM 551 C LEU A 35 9.919 -2.443 -10.356 1.00 0.00 C ATOM 552 O LEU A 35 10.542 -1.500 -10.846 1.00 0.00 O ATOM 553 CB LEU A 35 8.806 -1.621 -8.271 1.00 0.00 C ATOM 554 CG LEU A 35 7.727 -0.644 -7.804 1.00 0.00 C ATOM 555 CD1 LEU A 35 7.509 -0.766 -6.305 1.00 0.00 C ATOM 556 CD2 LEU A 35 8.103 0.782 -8.177 1.00 0.00 C ATOM 0 H LEU A 35 7.785 -3.853 -8.608 1.00 0.00 H new ATOM 0 HA LEU A 35 7.986 -1.527 -10.254 1.00 0.00 H new ATOM 0 HB2 LEU A 35 8.877 -2.433 -7.548 1.00 0.00 H new ATOM 0 HB3 LEU A 35 9.767 -1.106 -8.267 1.00 0.00 H new ATOM 0 HG LEU A 35 6.793 -0.896 -8.307 1.00 0.00 H new ATOM 0 HD11 LEU A 35 6.738 -0.063 -5.991 1.00 0.00 H new ATOM 0 HD12 LEU A 35 7.194 -1.781 -6.065 1.00 0.00 H new ATOM 0 HD13 LEU A 35 8.439 -0.541 -5.783 1.00 0.00 H new ATOM 0 HD21 LEU A 35 7.324 1.464 -7.837 1.00 0.00 H new ATOM 0 HD22 LEU A 35 9.048 1.045 -7.702 1.00 0.00 H new ATOM 0 HD23 LEU A 35 8.207 0.860 -9.259 1.00 0.00 H new ATOM 568 N ASP A 36 10.352 -3.700 -10.392 1.00 0.00 N ATOM 569 CA ASP A 36 11.617 -4.058 -11.023 1.00 0.00 C ATOM 570 C ASP A 36 11.502 -3.998 -12.543 1.00 0.00 C ATOM 571 O ASP A 36 12.478 -4.223 -13.260 1.00 0.00 O ATOM 572 CB ASP A 36 12.048 -5.461 -10.588 1.00 0.00 C ATOM 573 CG ASP A 36 13.523 -5.713 -10.829 1.00 0.00 C ATOM 574 OD1 ASP A 36 14.341 -5.316 -9.973 1.00 0.00 O ATOM 575 OD2 ASP A 36 13.860 -6.308 -11.875 1.00 0.00 O ATOM 0 H ASP A 36 9.844 -4.488 -9.991 1.00 0.00 H new ATOM 0 HA ASP A 36 12.371 -3.338 -10.704 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.828 -5.594 -9.529 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.462 -6.203 -11.131 1.00 0.00 H new ATOM 580 N THR A 37 10.303 -3.693 -13.029 1.00 0.00 N ATOM 581 CA THR A 37 10.051 -3.599 -14.457 1.00 0.00 C ATOM 582 C THR A 37 9.200 -2.378 -14.772 1.00 0.00 C ATOM 583 O THR A 37 8.139 -2.176 -14.182 1.00 0.00 O ATOM 584 CB THR A 37 9.342 -4.858 -14.989 1.00 0.00 C ATOM 585 OG1 THR A 37 8.574 -5.467 -13.944 1.00 0.00 O ATOM 586 CG2 THR A 37 10.350 -5.858 -15.533 1.00 0.00 C ATOM 0 H THR A 37 9.487 -3.506 -12.447 1.00 0.00 H new ATOM 0 HA THR A 37 11.019 -3.508 -14.949 1.00 0.00 H new ATOM 0 HB THR A 37 8.678 -4.558 -15.800 1.00 0.00 H new ATOM 0 HG1 THR A 37 7.677 -5.677 -14.277 1.00 0.00 H new ATOM 0 HG21 THR A 37 9.825 -6.739 -15.903 1.00 0.00 H new ATOM 0 HG22 THR A 37 10.912 -5.402 -16.348 1.00 0.00 H new ATOM 0 HG23 THR A 37 11.036 -6.152 -14.739 1.00 0.00 H new ATOM 594 N ASN A 38 9.676 -1.571 -15.707 1.00 0.00 N ATOM 595 CA ASN A 38 8.967 -0.363 -16.113 1.00 0.00 C ATOM 596 C ASN A 38 7.830 -0.704 -17.070 1.00 0.00 C ATOM 597 O ASN A 38 8.058 -1.275 -18.136 1.00 0.00 O ATOM 598 CB ASN A 38 9.930 0.624 -16.774 1.00 0.00 C ATOM 599 CG ASN A 38 10.468 1.651 -15.796 1.00 0.00 C ATOM 600 OD1 ASN A 38 9.932 2.754 -15.682 1.00 0.00 O ATOM 601 ND2 ASN A 38 11.531 1.294 -15.086 1.00 0.00 N ATOM 0 H ASN A 38 10.554 -1.730 -16.202 1.00 0.00 H new ATOM 0 HA ASN A 38 8.545 0.101 -15.222 1.00 0.00 H new ATOM 0 HB2 ASN A 38 10.762 0.075 -17.215 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.418 1.136 -17.589 1.00 0.00 H new ATOM 0 HD21 ASN A 38 11.937 1.944 -14.413 1.00 0.00 H new ATOM 0 HD22 ASN A 38 11.942 0.369 -15.213 1.00 0.00 H new ATOM 608 N GLU A 39 6.609 -0.344 -16.684 1.00 0.00 N ATOM 609 CA GLU A 39 5.433 -0.618 -17.503 1.00 0.00 C ATOM 610 C GLU A 39 4.235 0.187 -17.006 1.00 0.00 C ATOM 611 O GLU A 39 4.112 0.460 -15.813 1.00 0.00 O ATOM 612 CB GLU A 39 5.101 -2.111 -17.473 1.00 0.00 C ATOM 613 CG GLU A 39 5.564 -2.866 -18.708 1.00 0.00 C ATOM 614 CD GLU A 39 4.976 -2.306 -19.989 1.00 0.00 C ATOM 615 OE1 GLU A 39 3.832 -2.675 -20.328 1.00 0.00 O ATOM 616 OE2 GLU A 39 5.659 -1.498 -20.652 1.00 0.00 O ATOM 0 H GLU A 39 6.409 0.139 -15.808 1.00 0.00 H new ATOM 0 HA GLU A 39 5.655 -0.323 -18.529 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.560 -2.558 -16.591 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.023 -2.232 -17.367 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.652 -2.829 -18.765 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.286 -3.916 -18.613 1.00 0.00 H new ATOM 623 N THR A 40 3.355 0.563 -17.929 1.00 0.00 N ATOM 624 CA THR A 40 2.169 1.336 -17.578 1.00 0.00 C ATOM 625 C THR A 40 1.099 0.460 -16.920 1.00 0.00 C ATOM 626 O THR A 40 0.572 0.816 -15.865 1.00 0.00 O ATOM 627 CB THR A 40 1.564 2.038 -18.811 1.00 0.00 C ATOM 628 OG1 THR A 40 2.610 2.570 -19.634 1.00 0.00 O ATOM 629 CG2 THR A 40 0.626 3.159 -18.388 1.00 0.00 C ATOM 0 H THR A 40 3.440 0.346 -18.922 1.00 0.00 H new ATOM 0 HA THR A 40 2.494 2.093 -16.864 1.00 0.00 H new ATOM 0 HB THR A 40 0.994 1.302 -19.378 1.00 0.00 H new ATOM 0 HG1 THR A 40 2.218 3.013 -20.416 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.211 3.640 -19.274 1.00 0.00 H new ATOM 0 HG22 THR A 40 -0.184 2.748 -17.785 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.178 3.893 -17.801 1.00 0.00 H new ATOM 637 N PRO A 41 0.757 -0.700 -17.524 1.00 0.00 N ATOM 638 CA PRO A 41 -0.256 -1.605 -16.971 1.00 0.00 C ATOM 639 C PRO A 41 0.227 -2.311 -15.707 1.00 0.00 C ATOM 640 O PRO A 41 -0.534 -3.026 -15.055 1.00 0.00 O ATOM 641 CB PRO A 41 -0.493 -2.632 -18.091 1.00 0.00 C ATOM 642 CG PRO A 41 0.194 -2.081 -19.297 1.00 0.00 C ATOM 643 CD PRO A 41 1.310 -1.222 -18.781 1.00 0.00 C ATOM 0 HA PRO A 41 -1.156 -1.064 -16.679 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -0.087 -3.607 -17.821 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -1.558 -2.770 -18.276 1.00 0.00 H new ATOM 0 HG2 PRO A 41 0.578 -2.883 -19.927 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -0.496 -1.499 -19.907 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.221 -1.797 -18.615 1.00 0.00 H new ATOM 0 HD3 PRO A 41 1.561 -0.422 -19.477 1.00 0.00 H new ATOM 651 N TYR A 42 1.496 -2.105 -15.366 1.00 0.00 N ATOM 652 CA TYR A 42 2.081 -2.726 -14.183 1.00 0.00 C ATOM 653 C TYR A 42 1.820 -1.887 -12.935 1.00 0.00 C ATOM 654 O TYR A 42 1.517 -2.425 -11.869 1.00 0.00 O ATOM 655 CB TYR A 42 3.587 -2.919 -14.375 1.00 0.00 C ATOM 656 CG TYR A 42 3.959 -4.276 -14.935 1.00 0.00 C ATOM 657 CD1 TYR A 42 3.339 -4.775 -16.074 1.00 0.00 C ATOM 658 CD2 TYR A 42 4.933 -5.056 -14.323 1.00 0.00 C ATOM 659 CE1 TYR A 42 3.679 -6.013 -16.587 1.00 0.00 C ATOM 660 CE2 TYR A 42 5.278 -6.294 -14.831 1.00 0.00 C ATOM 661 CZ TYR A 42 4.648 -6.768 -15.962 1.00 0.00 C ATOM 662 OH TYR A 42 4.990 -8.001 -16.470 1.00 0.00 O ATOM 0 H TYR A 42 2.138 -1.513 -15.892 1.00 0.00 H new ATOM 0 HA TYR A 42 1.609 -3.699 -14.047 1.00 0.00 H new ATOM 0 HB2 TYR A 42 3.961 -2.144 -15.044 1.00 0.00 H new ATOM 0 HB3 TYR A 42 4.087 -2.781 -13.416 1.00 0.00 H new ATOM 0 HD1 TYR A 42 2.579 -4.186 -16.566 1.00 0.00 H new ATOM 0 HD2 TYR A 42 5.428 -4.689 -13.436 1.00 0.00 H new ATOM 0 HE1 TYR A 42 3.188 -6.387 -17.473 1.00 0.00 H new ATOM 0 HE2 TYR A 42 6.038 -6.888 -14.344 1.00 0.00 H new ATOM 0 HH TYR A 42 5.689 -8.402 -15.913 1.00 0.00 H new ATOM 672 N PHE A 43 1.938 -0.570 -13.072 1.00 0.00 N ATOM 673 CA PHE A 43 1.714 0.336 -11.952 1.00 0.00 C ATOM 674 C PHE A 43 0.278 0.231 -11.449 1.00 0.00 C ATOM 675 O PHE A 43 0.003 0.465 -10.271 1.00 0.00 O ATOM 676 CB PHE A 43 2.026 1.778 -12.358 1.00 0.00 C ATOM 677 CG PHE A 43 3.498 2.080 -12.416 1.00 0.00 C ATOM 678 CD1 PHE A 43 4.310 1.851 -11.316 1.00 0.00 C ATOM 679 CD2 PHE A 43 4.070 2.590 -13.571 1.00 0.00 C ATOM 680 CE1 PHE A 43 5.663 2.126 -11.366 1.00 0.00 C ATOM 681 CE2 PHE A 43 5.423 2.867 -13.627 1.00 0.00 C ATOM 682 CZ PHE A 43 6.220 2.634 -12.523 1.00 0.00 C ATOM 0 H PHE A 43 2.187 -0.107 -13.946 1.00 0.00 H new ATOM 0 HA PHE A 43 2.385 0.046 -11.143 1.00 0.00 H new ATOM 0 HB2 PHE A 43 1.584 1.976 -13.334 1.00 0.00 H new ATOM 0 HB3 PHE A 43 1.551 2.457 -11.650 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.880 1.453 -10.409 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.451 2.773 -14.437 1.00 0.00 H new ATOM 0 HE1 PHE A 43 6.284 1.944 -10.501 1.00 0.00 H new ATOM 0 HE2 PHE A 43 5.856 3.265 -14.533 1.00 0.00 H new ATOM 0 HZ PHE A 43 7.278 2.849 -12.565 1.00 0.00 H new ATOM 692 N MET A 44 -0.634 -0.122 -12.349 1.00 0.00 N ATOM 693 CA MET A 44 -2.040 -0.270 -11.992 1.00 0.00 C ATOM 694 C MET A 44 -2.226 -1.460 -11.060 1.00 0.00 C ATOM 695 O MET A 44 -3.100 -1.455 -10.191 1.00 0.00 O ATOM 696 CB MET A 44 -2.894 -0.449 -13.249 1.00 0.00 C ATOM 697 CG MET A 44 -2.944 0.787 -14.132 1.00 0.00 C ATOM 698 SD MET A 44 -3.893 0.524 -15.642 1.00 0.00 S ATOM 699 CE MET A 44 -4.010 2.198 -16.266 1.00 0.00 C ATOM 0 H MET A 44 -0.425 -0.311 -13.329 1.00 0.00 H new ATOM 0 HA MET A 44 -2.362 0.635 -11.476 1.00 0.00 H new ATOM 0 HB2 MET A 44 -2.501 -1.284 -13.829 1.00 0.00 H new ATOM 0 HB3 MET A 44 -3.909 -0.716 -12.954 1.00 0.00 H new ATOM 0 HG2 MET A 44 -3.383 1.612 -13.571 1.00 0.00 H new ATOM 0 HG3 MET A 44 -1.928 1.084 -14.393 1.00 0.00 H new ATOM 0 HE1 MET A 44 -4.572 2.200 -17.200 1.00 0.00 H new ATOM 0 HE2 MET A 44 -4.521 2.824 -15.534 1.00 0.00 H new ATOM 0 HE3 MET A 44 -3.009 2.591 -16.444 1.00 0.00 H new ATOM 709 N LYS A 45 -1.395 -2.481 -11.249 1.00 0.00 N ATOM 710 CA LYS A 45 -1.453 -3.683 -10.426 1.00 0.00 C ATOM 711 C LYS A 45 -0.890 -3.408 -9.037 1.00 0.00 C ATOM 712 O LYS A 45 -1.301 -4.029 -8.055 1.00 0.00 O ATOM 713 CB LYS A 45 -0.676 -4.820 -11.091 1.00 0.00 C ATOM 714 CG LYS A 45 -1.206 -6.202 -10.748 1.00 0.00 C ATOM 715 CD LYS A 45 -1.353 -7.066 -11.990 1.00 0.00 C ATOM 716 CE LYS A 45 -2.230 -8.279 -11.724 1.00 0.00 C ATOM 717 NZ LYS A 45 -1.894 -9.417 -12.624 1.00 0.00 N ATOM 0 H LYS A 45 -0.671 -2.499 -11.968 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.497 -3.981 -10.326 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -0.707 -4.686 -12.172 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.370 -4.757 -10.792 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.531 -6.687 -10.044 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.172 -6.110 -10.251 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -1.784 -6.474 -12.797 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -0.369 -7.394 -12.325 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.113 -8.591 -10.686 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.277 -8.007 -11.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.322 -10.290 -12.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.264 -9.226 -13.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -0.861 -9.530 -12.669 1.00 0.00 H new ATOM 731 N SER A 46 0.049 -2.469 -8.958 1.00 0.00 N ATOM 732 CA SER A 46 0.663 -2.112 -7.686 1.00 0.00 C ATOM 733 C SER A 46 -0.344 -1.390 -6.803 1.00 0.00 C ATOM 734 O SER A 46 -0.549 -1.760 -5.648 1.00 0.00 O ATOM 735 CB SER A 46 1.891 -1.228 -7.915 1.00 0.00 C ATOM 736 OG SER A 46 2.533 -1.553 -9.136 1.00 0.00 O ATOM 0 H SER A 46 0.400 -1.944 -9.759 1.00 0.00 H new ATOM 0 HA SER A 46 0.981 -3.026 -7.185 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.592 -0.180 -7.926 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.591 -1.351 -7.088 1.00 0.00 H new ATOM 0 HG SER A 46 3.313 -0.973 -9.260 1.00 0.00 H new ATOM 742 N ILE A 47 -0.963 -0.348 -7.354 1.00 0.00 N ATOM 743 CA ILE A 47 -1.965 0.416 -6.624 1.00 0.00 C ATOM 744 C ILE A 47 -3.112 -0.490 -6.196 1.00 0.00 C ATOM 745 O ILE A 47 -3.599 -0.404 -5.066 1.00 0.00 O ATOM 746 CB ILE A 47 -2.523 1.574 -7.474 1.00 0.00 C ATOM 747 CG1 ILE A 47 -1.380 2.421 -8.037 1.00 0.00 C ATOM 748 CG2 ILE A 47 -3.466 2.435 -6.644 1.00 0.00 C ATOM 749 CD1 ILE A 47 -1.712 3.084 -9.356 1.00 0.00 C ATOM 0 H ILE A 47 -0.787 -0.016 -8.302 1.00 0.00 H new ATOM 0 HA ILE A 47 -1.478 0.836 -5.744 1.00 0.00 H new ATOM 0 HB ILE A 47 -3.084 1.153 -8.308 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.115 3.189 -7.310 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.501 1.790 -8.168 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -3.852 3.248 -7.258 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -4.296 1.825 -6.287 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -2.926 2.848 -5.792 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -0.856 3.668 -9.695 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.948 2.321 -10.098 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.571 3.742 -9.226 1.00 0.00 H new ATOM 761 N ASP A 48 -3.540 -1.360 -7.108 1.00 0.00 N ATOM 762 CA ASP A 48 -4.621 -2.295 -6.820 1.00 0.00 C ATOM 763 C ASP A 48 -4.227 -3.210 -5.666 1.00 0.00 C ATOM 764 O ASP A 48 -5.082 -3.739 -4.953 1.00 0.00 O ATOM 765 CB ASP A 48 -4.951 -3.128 -8.060 1.00 0.00 C ATOM 766 CG ASP A 48 -6.374 -3.653 -8.042 1.00 0.00 C ATOM 767 OD1 ASP A 48 -6.594 -4.751 -7.491 1.00 0.00 O ATOM 768 OD2 ASP A 48 -7.267 -2.966 -8.579 1.00 0.00 O ATOM 0 H ASP A 48 -3.155 -1.436 -8.050 1.00 0.00 H new ATOM 0 HA ASP A 48 -5.507 -1.726 -6.536 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.802 -2.520 -8.953 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -4.258 -3.967 -8.126 1.00 0.00 H new ATOM 773 N CYS A 49 -2.920 -3.382 -5.490 1.00 0.00 N ATOM 774 CA CYS A 49 -2.394 -4.219 -4.422 1.00 0.00 C ATOM 775 C CYS A 49 -2.335 -3.437 -3.116 1.00 0.00 C ATOM 776 O CYS A 49 -2.773 -3.923 -2.071 1.00 0.00 O ATOM 777 CB CYS A 49 -1.002 -4.743 -4.786 1.00 0.00 C ATOM 778 SG CYS A 49 -1.017 -6.325 -5.661 1.00 0.00 S ATOM 0 H CYS A 49 -2.206 -2.950 -6.076 1.00 0.00 H new ATOM 0 HA CYS A 49 -3.063 -5.070 -4.292 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -0.497 -4.002 -5.405 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -0.415 -4.850 -3.874 1.00 0.00 H new ATOM 0 HG CYS A 49 -1.134 -6.113 -6.938 1.00 0.00 H new ATOM 784 N ILE A 50 -1.793 -2.221 -3.180 1.00 0.00 N ATOM 785 CA ILE A 50 -1.687 -1.369 -2.002 1.00 0.00 C ATOM 786 C ILE A 50 -3.070 -1.062 -1.441 1.00 0.00 C ATOM 787 O ILE A 50 -3.224 -0.791 -0.251 1.00 0.00 O ATOM 788 CB ILE A 50 -0.952 -0.046 -2.327 1.00 0.00 C ATOM 789 CG1 ILE A 50 -0.142 0.431 -1.119 1.00 0.00 C ATOM 790 CG2 ILE A 50 -1.933 1.031 -2.771 1.00 0.00 C ATOM 791 CD1 ILE A 50 0.947 1.419 -1.475 1.00 0.00 C ATOM 0 H ILE A 50 -1.422 -1.807 -4.035 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.106 -1.911 -1.255 1.00 0.00 H new ATOM 0 HB ILE A 50 -0.265 -0.237 -3.151 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.817 0.891 -0.397 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.308 -0.433 -0.629 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.389 1.949 -2.993 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.460 0.697 -3.664 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -2.652 1.219 -1.974 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.480 1.714 -0.571 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.644 0.956 -2.173 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.502 2.300 -1.938 1.00 0.00 H new ATOM 803 N ARG A 51 -4.072 -1.108 -2.314 1.00 0.00 N ATOM 804 CA ARG A 51 -5.447 -0.845 -1.913 1.00 0.00 C ATOM 805 C ARG A 51 -6.014 -2.042 -1.163 1.00 0.00 C ATOM 806 O ARG A 51 -6.498 -1.911 -0.037 1.00 0.00 O ATOM 807 CB ARG A 51 -6.310 -0.539 -3.139 1.00 0.00 C ATOM 808 CG ARG A 51 -6.369 0.939 -3.487 1.00 0.00 C ATOM 809 CD ARG A 51 -7.641 1.585 -2.962 1.00 0.00 C ATOM 810 NE ARG A 51 -7.891 2.885 -3.580 1.00 0.00 N ATOM 811 CZ ARG A 51 -8.675 3.060 -4.640 1.00 0.00 C ATOM 812 NH1 ARG A 51 -9.284 2.021 -5.198 1.00 0.00 N ATOM 813 NH2 ARG A 51 -8.851 4.274 -5.142 1.00 0.00 N ATOM 0 H ARG A 51 -3.956 -1.325 -3.304 1.00 0.00 H new ATOM 0 HA ARG A 51 -5.456 0.022 -1.253 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.920 -1.090 -3.995 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -7.322 -0.903 -2.961 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -5.501 1.448 -3.067 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -6.317 1.061 -4.569 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -8.487 0.925 -3.151 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -7.567 1.706 -1.881 1.00 0.00 H new ATOM 0 HE ARG A 51 -7.439 3.705 -3.176 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -9.151 1.085 -4.814 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -9.885 2.158 -6.011 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -8.385 5.075 -4.715 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -9.452 4.407 -5.955 1.00 0.00 H new ATOM 827 N ALA A 52 -5.954 -3.208 -1.799 1.00 0.00 N ATOM 828 CA ALA A 52 -6.451 -4.437 -1.189 1.00 0.00 C ATOM 829 C ALA A 52 -5.782 -4.685 0.159 1.00 0.00 C ATOM 830 O ALA A 52 -6.410 -5.185 1.094 1.00 0.00 O ATOM 831 CB ALA A 52 -6.224 -5.618 -2.119 1.00 0.00 C ATOM 0 H ALA A 52 -5.567 -3.328 -2.735 1.00 0.00 H new ATOM 0 HA ALA A 52 -7.522 -4.325 -1.021 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.600 -6.528 -1.650 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.752 -5.449 -3.058 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.158 -5.726 -2.317 1.00 0.00 H new ATOM 837 N PHE A 53 -4.505 -4.326 0.252 1.00 0.00 N ATOM 838 CA PHE A 53 -3.748 -4.506 1.486 1.00 0.00 C ATOM 839 C PHE A 53 -4.125 -3.446 2.516 1.00 0.00 C ATOM 840 O PHE A 53 -4.436 -3.766 3.663 1.00 0.00 O ATOM 841 CB PHE A 53 -2.245 -4.447 1.201 1.00 0.00 C ATOM 842 CG PHE A 53 -1.417 -5.265 2.152 1.00 0.00 C ATOM 843 CD1 PHE A 53 -1.511 -5.071 3.521 1.00 0.00 C ATOM 844 CD2 PHE A 53 -0.541 -6.227 1.674 1.00 0.00 C ATOM 845 CE1 PHE A 53 -0.749 -5.819 4.396 1.00 0.00 C ATOM 846 CE2 PHE A 53 0.224 -6.980 2.546 1.00 0.00 C ATOM 847 CZ PHE A 53 0.120 -6.774 3.908 1.00 0.00 C ATOM 0 H PHE A 53 -3.973 -3.909 -0.512 1.00 0.00 H new ATOM 0 HA PHE A 53 -3.995 -5.486 1.894 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -2.063 -4.794 0.184 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.916 -3.409 1.247 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -2.189 -4.325 3.908 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.455 -6.390 0.610 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -0.833 -5.657 5.461 1.00 0.00 H new ATOM 0 HE2 PHE A 53 0.902 -7.728 2.163 1.00 0.00 H new ATOM 0 HZ PHE A 53 0.718 -7.360 4.590 1.00 0.00 H new ATOM 857 N ARG A 54 -4.077 -2.182 2.100 1.00 0.00 N ATOM 858 CA ARG A 54 -4.418 -1.069 2.981 1.00 0.00 C ATOM 859 C ARG A 54 -5.705 -1.350 3.745 1.00 0.00 C ATOM 860 O ARG A 54 -5.787 -1.107 4.948 1.00 0.00 O ATOM 861 CB ARG A 54 -4.579 0.222 2.175 1.00 0.00 C ATOM 862 CG ARG A 54 -3.341 1.103 2.170 1.00 0.00 C ATOM 863 CD ARG A 54 -3.671 2.524 1.743 1.00 0.00 C ATOM 864 NE ARG A 54 -3.971 3.383 2.885 1.00 0.00 N ATOM 865 CZ ARG A 54 -5.201 3.758 3.223 1.00 0.00 C ATOM 866 NH1 ARG A 54 -6.244 3.351 2.510 1.00 0.00 N ATOM 867 NH2 ARG A 54 -5.391 4.541 4.276 1.00 0.00 N ATOM 0 H ARG A 54 -3.805 -1.904 1.157 1.00 0.00 H new ATOM 0 HA ARG A 54 -3.603 -0.951 3.695 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -4.836 -0.033 1.147 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -5.416 0.790 2.581 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -2.897 1.115 3.166 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.596 0.682 1.494 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.830 2.940 1.187 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -4.525 2.510 1.066 1.00 0.00 H new ATOM 0 HE ARG A 54 -3.193 3.714 3.456 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -6.104 2.748 1.699 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -7.186 3.641 2.773 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -4.593 4.856 4.828 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -6.335 4.828 4.534 1.00 0.00 H new ATOM 881 N GLU A 55 -6.703 -1.872 3.039 1.00 0.00 N ATOM 882 CA GLU A 55 -7.997 -2.175 3.644 1.00 0.00 C ATOM 883 C GLU A 55 -7.910 -3.365 4.597 1.00 0.00 C ATOM 884 O GLU A 55 -8.436 -3.317 5.711 1.00 0.00 O ATOM 885 CB GLU A 55 -9.034 -2.459 2.556 1.00 0.00 C ATOM 886 CG GLU A 55 -9.559 -1.205 1.876 1.00 0.00 C ATOM 887 CD GLU A 55 -10.511 -1.516 0.736 1.00 0.00 C ATOM 888 OE1 GLU A 55 -10.034 -1.687 -0.406 1.00 0.00 O ATOM 889 OE2 GLU A 55 -11.733 -1.586 0.985 1.00 0.00 O ATOM 0 H GLU A 55 -6.641 -2.095 2.046 1.00 0.00 H new ATOM 0 HA GLU A 55 -8.302 -1.303 4.222 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -8.591 -3.112 1.804 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.871 -3.002 2.996 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -10.069 -0.583 2.612 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.719 -0.624 1.495 1.00 0.00 H new ATOM 896 N GLU A 56 -7.240 -4.427 4.161 1.00 0.00 N ATOM 897 CA GLU A 56 -7.102 -5.631 4.972 1.00 0.00 C ATOM 898 C GLU A 56 -6.322 -5.352 6.252 1.00 0.00 C ATOM 899 O GLU A 56 -6.517 -6.023 7.268 1.00 0.00 O ATOM 900 CB GLU A 56 -6.405 -6.732 4.171 1.00 0.00 C ATOM 901 CG GLU A 56 -7.321 -7.438 3.185 1.00 0.00 C ATOM 902 CD GLU A 56 -7.562 -8.891 3.550 1.00 0.00 C ATOM 903 OE1 GLU A 56 -8.049 -9.148 4.671 1.00 0.00 O ATOM 904 OE2 GLU A 56 -7.261 -9.769 2.716 1.00 0.00 O ATOM 0 H GLU A 56 -6.784 -4.478 3.250 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.103 -5.962 5.248 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.565 -6.299 3.628 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.993 -7.467 4.862 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -8.276 -6.914 3.143 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.885 -7.385 2.188 1.00 0.00 H new ATOM 911 N ALA A 57 -5.445 -4.353 6.205 1.00 0.00 N ATOM 912 CA ALA A 57 -4.632 -3.998 7.359 1.00 0.00 C ATOM 913 C ALA A 57 -5.373 -3.034 8.276 1.00 0.00 C ATOM 914 O ALA A 57 -5.546 -3.304 9.467 1.00 0.00 O ATOM 915 CB ALA A 57 -3.313 -3.390 6.909 1.00 0.00 C ATOM 0 H ALA A 57 -5.281 -3.777 5.380 1.00 0.00 H new ATOM 0 HA ALA A 57 -4.427 -4.909 7.921 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.716 -3.129 7.783 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.769 -4.111 6.299 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.508 -2.493 6.322 1.00 0.00 H new ATOM 921 N ILE A 58 -5.813 -1.907 7.718 1.00 0.00 N ATOM 922 CA ILE A 58 -6.533 -0.908 8.500 1.00 0.00 C ATOM 923 C ILE A 58 -7.738 -1.535 9.184 1.00 0.00 C ATOM 924 O ILE A 58 -8.024 -1.246 10.347 1.00 0.00 O ATOM 925 CB ILE A 58 -6.998 0.285 7.638 1.00 0.00 C ATOM 926 CG1 ILE A 58 -7.968 -0.176 6.549 1.00 0.00 C ATOM 927 CG2 ILE A 58 -5.801 0.994 7.024 1.00 0.00 C ATOM 928 CD1 ILE A 58 -9.401 0.242 6.797 1.00 0.00 C ATOM 0 H ILE A 58 -5.684 -1.666 6.735 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.836 -0.531 9.249 1.00 0.00 H new ATOM 0 HB ILE A 58 -7.524 0.989 8.283 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -7.642 0.226 5.590 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -7.924 -1.262 6.471 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -6.146 1.833 6.419 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -5.150 1.362 7.817 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.248 0.296 6.395 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -10.031 -0.120 5.985 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -9.746 -0.182 7.740 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -9.460 1.329 6.845 1.00 0.00 H new ATOM 940 N LYS A 59 -8.446 -2.391 8.452 1.00 0.00 N ATOM 941 CA LYS A 59 -9.615 -3.068 8.990 1.00 0.00 C ATOM 942 C LYS A 59 -9.295 -3.723 10.326 1.00 0.00 C ATOM 943 O LYS A 59 -9.947 -3.439 11.332 1.00 0.00 O ATOM 944 CB LYS A 59 -10.126 -4.121 8.006 1.00 0.00 C ATOM 945 CG LYS A 59 -11.192 -3.600 7.055 1.00 0.00 C ATOM 946 CD LYS A 59 -12.017 -4.733 6.468 1.00 0.00 C ATOM 947 CE LYS A 59 -13.238 -4.208 5.730 1.00 0.00 C ATOM 948 NZ LYS A 59 -12.864 -3.458 4.499 1.00 0.00 N ATOM 0 H LYS A 59 -8.228 -2.630 7.485 1.00 0.00 H new ATOM 0 HA LYS A 59 -10.393 -2.320 9.145 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -9.286 -4.500 7.424 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.531 -4.963 8.566 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -11.847 -2.908 7.585 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -10.719 -3.038 6.250 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.401 -5.317 5.785 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -12.334 -5.405 7.266 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -13.887 -5.042 5.464 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -13.810 -3.557 6.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -13.725 -3.117 4.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -12.265 -2.647 4.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -12.340 -4.085 3.856 1.00 0.00 H new ATOM 962 N PHE A 60 -8.285 -4.597 10.342 1.00 0.00 N ATOM 963 CA PHE A 60 -7.901 -5.285 11.575 1.00 0.00 C ATOM 964 C PHE A 60 -6.686 -6.183 11.359 1.00 0.00 C ATOM 965 O PHE A 60 -6.821 -7.390 11.165 1.00 0.00 O ATOM 966 CB PHE A 60 -9.070 -6.119 12.121 1.00 0.00 C ATOM 967 CG PHE A 60 -10.015 -6.631 11.065 1.00 0.00 C ATOM 968 CD1 PHE A 60 -9.571 -7.478 10.060 1.00 0.00 C ATOM 969 CD2 PHE A 60 -11.351 -6.263 11.081 1.00 0.00 C ATOM 970 CE1 PHE A 60 -10.441 -7.946 9.094 1.00 0.00 C ATOM 971 CE2 PHE A 60 -12.225 -6.727 10.117 1.00 0.00 C ATOM 972 CZ PHE A 60 -11.770 -7.570 9.123 1.00 0.00 C ATOM 0 H PHE A 60 -7.725 -4.842 9.525 1.00 0.00 H new ATOM 0 HA PHE A 60 -7.638 -4.519 12.304 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -8.668 -6.968 12.674 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -9.632 -5.513 12.832 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -8.533 -7.775 10.032 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -11.713 -5.605 11.857 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -10.082 -8.605 8.317 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -13.263 -6.431 10.141 1.00 0.00 H new ATOM 0 HZ PHE A 60 -12.452 -7.935 8.369 1.00 0.00 H new ATOM 982 N SER A 61 -5.499 -5.592 11.407 1.00 0.00 N ATOM 983 CA SER A 61 -4.269 -6.351 11.222 1.00 0.00 C ATOM 984 C SER A 61 -3.059 -5.578 11.733 1.00 0.00 C ATOM 985 O SER A 61 -2.752 -5.608 12.925 1.00 0.00 O ATOM 986 CB SER A 61 -4.085 -6.716 9.746 1.00 0.00 C ATOM 987 OG SER A 61 -4.326 -8.095 9.529 1.00 0.00 O ATOM 0 H SER A 61 -5.362 -4.595 11.572 1.00 0.00 H new ATOM 0 HA SER A 61 -4.350 -7.269 11.805 1.00 0.00 H new ATOM 0 HB2 SER A 61 -4.765 -6.124 9.134 1.00 0.00 H new ATOM 0 HB3 SER A 61 -3.072 -6.466 9.430 1.00 0.00 H new ATOM 0 HG SER A 61 -3.579 -8.482 9.027 1.00 0.00 H new ATOM 993 N GLU A 62 -2.375 -4.885 10.831 1.00 0.00 N ATOM 994 CA GLU A 62 -1.194 -4.112 11.199 1.00 0.00 C ATOM 995 C GLU A 62 -1.238 -2.724 10.574 1.00 0.00 C ATOM 996 O GLU A 62 -0.345 -2.342 9.818 1.00 0.00 O ATOM 997 CB GLU A 62 0.076 -4.845 10.763 1.00 0.00 C ATOM 998 CG GLU A 62 0.242 -6.211 11.407 1.00 0.00 C ATOM 999 CD GLU A 62 1.695 -6.563 11.662 1.00 0.00 C ATOM 1000 OE1 GLU A 62 2.423 -5.713 12.217 1.00 0.00 O ATOM 1001 OE2 GLU A 62 2.104 -7.688 11.308 1.00 0.00 O ATOM 0 H GLU A 62 -2.617 -4.842 9.841 1.00 0.00 H new ATOM 0 HA GLU A 62 -1.184 -4.000 12.283 1.00 0.00 H new ATOM 0 HB2 GLU A 62 0.064 -4.963 9.679 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.942 -4.230 11.007 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.304 -6.233 12.350 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.204 -6.969 10.763 1.00 0.00 H new ATOM 1008 N GLU A 63 -2.291 -1.980 10.888 1.00 0.00 N ATOM 1009 CA GLU A 63 -2.466 -0.629 10.364 1.00 0.00 C ATOM 1010 C GLU A 63 -1.237 0.243 10.618 1.00 0.00 C ATOM 1011 O GLU A 63 -0.812 0.989 9.737 1.00 0.00 O ATOM 1012 CB GLU A 63 -3.700 0.022 10.990 1.00 0.00 C ATOM 1013 CG GLU A 63 -3.760 -0.118 12.502 1.00 0.00 C ATOM 1014 CD GLU A 63 -4.837 0.749 13.124 1.00 0.00 C ATOM 1015 OE1 GLU A 63 -4.582 1.953 13.333 1.00 0.00 O ATOM 1016 OE2 GLU A 63 -5.935 0.223 13.402 1.00 0.00 O ATOM 0 H GLU A 63 -3.041 -2.290 11.506 1.00 0.00 H new ATOM 0 HA GLU A 63 -2.601 -0.711 9.286 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.713 1.081 10.731 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -4.595 -0.424 10.556 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.944 -1.161 12.760 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.793 0.150 12.927 1.00 0.00 H new ATOM 1023 N GLN A 64 -0.668 0.143 11.820 1.00 0.00 N ATOM 1024 CA GLN A 64 0.507 0.938 12.191 1.00 0.00 C ATOM 1025 C GLN A 64 1.750 0.499 11.424 1.00 0.00 C ATOM 1026 O GLN A 64 2.764 1.199 11.424 1.00 0.00 O ATOM 1027 CB GLN A 64 0.764 0.831 13.692 1.00 0.00 C ATOM 1028 CG GLN A 64 -0.366 1.382 14.547 1.00 0.00 C ATOM 1029 CD GLN A 64 -0.028 1.387 16.025 1.00 0.00 C ATOM 1030 OE1 GLN A 64 -0.693 0.730 16.826 1.00 0.00 O ATOM 1031 NE2 GLN A 64 1.009 2.129 16.394 1.00 0.00 N ATOM 0 H GLN A 64 -1.001 -0.481 12.555 1.00 0.00 H new ATOM 0 HA GLN A 64 0.297 1.975 11.929 1.00 0.00 H new ATOM 0 HB2 GLN A 64 0.926 -0.216 13.950 1.00 0.00 H new ATOM 0 HB3 GLN A 64 1.683 1.365 13.933 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -0.597 2.398 14.227 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -1.264 0.785 14.385 1.00 0.00 H new ATOM 0 HE21 GLN A 64 1.532 2.658 15.696 1.00 0.00 H new ATOM 0 HE22 GLN A 64 1.283 2.170 17.376 1.00 0.00 H new ATOM 1040 N ARG A 65 1.680 -0.658 10.787 1.00 0.00 N ATOM 1041 CA ARG A 65 2.802 -1.143 9.994 1.00 0.00 C ATOM 1042 C ARG A 65 2.794 -0.494 8.609 1.00 0.00 C ATOM 1043 O ARG A 65 3.754 0.168 8.217 1.00 0.00 O ATOM 1044 CB ARG A 65 2.742 -2.667 9.860 1.00 0.00 C ATOM 1045 CG ARG A 65 4.036 -3.287 9.362 1.00 0.00 C ATOM 1046 CD ARG A 65 3.825 -4.721 8.904 1.00 0.00 C ATOM 1047 NE ARG A 65 5.090 -5.416 8.676 1.00 0.00 N ATOM 1048 CZ ARG A 65 5.503 -6.454 9.397 1.00 0.00 C ATOM 1049 NH1 ARG A 65 4.755 -6.916 10.391 1.00 0.00 N ATOM 1050 NH2 ARG A 65 6.665 -7.033 9.123 1.00 0.00 N ATOM 0 H ARG A 65 0.868 -1.275 10.801 1.00 0.00 H new ATOM 0 HA ARG A 65 3.727 -0.873 10.504 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.492 -3.099 10.829 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.936 -2.931 9.176 1.00 0.00 H new ATOM 0 HG2 ARG A 65 4.431 -2.694 8.537 1.00 0.00 H new ATOM 0 HG3 ARG A 65 4.782 -3.263 10.157 1.00 0.00 H new ATOM 0 HD2 ARG A 65 3.246 -5.259 9.654 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.239 -4.725 7.985 1.00 0.00 H new ATOM 0 HE ARG A 65 5.691 -5.086 7.920 1.00 0.00 H new ATOM 0 HH11 ARG A 65 3.860 -6.475 10.604 1.00 0.00 H new ATOM 0 HH12 ARG A 65 5.075 -7.712 10.942 1.00 0.00 H new ATOM 0 HH21 ARG A 65 7.242 -6.682 8.359 1.00 0.00 H new ATOM 0 HH22 ARG A 65 6.981 -7.829 9.677 1.00 0.00 H new ATOM 1064 N PHE A 66 1.699 -0.698 7.879 1.00 0.00 N ATOM 1065 CA PHE A 66 1.546 -0.134 6.538 1.00 0.00 C ATOM 1066 C PHE A 66 1.907 1.351 6.493 1.00 0.00 C ATOM 1067 O PHE A 66 2.634 1.785 5.600 1.00 0.00 O ATOM 1068 CB PHE A 66 0.126 -0.344 6.019 1.00 0.00 C ATOM 1069 CG PHE A 66 0.090 -0.724 4.567 1.00 0.00 C ATOM 1070 CD1 PHE A 66 0.400 -2.014 4.168 1.00 0.00 C ATOM 1071 CD2 PHE A 66 -0.240 0.210 3.600 1.00 0.00 C ATOM 1072 CE1 PHE A 66 0.380 -2.365 2.833 1.00 0.00 C ATOM 1073 CE2 PHE A 66 -0.260 -0.134 2.263 1.00 0.00 C ATOM 1074 CZ PHE A 66 0.049 -1.425 1.879 1.00 0.00 C ATOM 0 H PHE A 66 0.902 -1.251 8.194 1.00 0.00 H new ATOM 0 HA PHE A 66 2.244 -0.664 5.890 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.360 -1.123 6.606 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -0.449 0.570 6.165 1.00 0.00 H new ATOM 0 HD1 PHE A 66 0.660 -2.754 4.910 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.485 1.220 3.895 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.623 -3.374 2.536 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -0.517 0.605 1.518 1.00 0.00 H new ATOM 0 HZ PHE A 66 0.031 -1.698 0.834 1.00 0.00 H new ATOM 1084 N ASN A 67 1.401 2.131 7.448 1.00 0.00 N ATOM 1085 CA ASN A 67 1.705 3.562 7.490 1.00 0.00 C ATOM 1086 C ASN A 67 3.194 3.758 7.749 1.00 0.00 C ATOM 1087 O ASN A 67 3.873 4.479 7.020 1.00 0.00 O ATOM 1088 CB ASN A 67 0.874 4.284 8.562 1.00 0.00 C ATOM 1089 CG ASN A 67 0.512 3.399 9.717 1.00 0.00 C ATOM 1090 OD1 ASN A 67 1.164 2.398 9.951 1.00 0.00 O ATOM 1091 ND2 ASN A 67 -0.528 3.779 10.453 1.00 0.00 N ATOM 0 H ASN A 67 0.787 1.803 8.193 1.00 0.00 H new ATOM 0 HA ASN A 67 1.442 3.998 6.526 1.00 0.00 H new ATOM 0 HB2 ASN A 67 1.435 5.143 8.931 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -0.038 4.670 8.108 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -0.814 3.222 11.258 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -1.040 4.628 10.212 1.00 0.00 H new ATOM 1098 N ASN A 68 3.679 3.129 8.816 1.00 0.00 N ATOM 1099 CA ASN A 68 5.097 3.193 9.163 1.00 0.00 C ATOM 1100 C ASN A 68 5.956 3.059 7.906 1.00 0.00 C ATOM 1101 O ASN A 68 6.850 3.873 7.658 1.00 0.00 O ATOM 1102 CB ASN A 68 5.453 2.090 10.162 1.00 0.00 C ATOM 1103 CG ASN A 68 6.895 2.170 10.623 1.00 0.00 C ATOM 1104 OD1 ASN A 68 7.206 2.830 11.614 1.00 0.00 O ATOM 1105 ND2 ASN A 68 7.785 1.496 9.903 1.00 0.00 N ATOM 0 H ASN A 68 3.113 2.570 9.455 1.00 0.00 H new ATOM 0 HA ASN A 68 5.296 4.160 9.625 1.00 0.00 H new ATOM 0 HB2 ASN A 68 4.794 2.161 11.027 1.00 0.00 H new ATOM 0 HB3 ASN A 68 5.275 1.117 9.704 1.00 0.00 H new ATOM 0 HD21 ASN A 68 8.771 1.513 10.165 1.00 0.00 H new ATOM 0 HD22 ASN A 68 7.483 0.962 9.088 1.00 0.00 H new ATOM 1112 N PHE A 69 5.677 2.027 7.114 1.00 0.00 N ATOM 1113 CA PHE A 69 6.405 1.794 5.870 1.00 0.00 C ATOM 1114 C PHE A 69 6.016 2.834 4.822 1.00 0.00 C ATOM 1115 O PHE A 69 6.825 3.207 3.973 1.00 0.00 O ATOM 1116 CB PHE A 69 6.119 0.387 5.340 1.00 0.00 C ATOM 1117 CG PHE A 69 7.192 -0.145 4.434 1.00 0.00 C ATOM 1118 CD1 PHE A 69 7.179 0.146 3.078 1.00 0.00 C ATOM 1119 CD2 PHE A 69 8.212 -0.936 4.937 1.00 0.00 C ATOM 1120 CE1 PHE A 69 8.165 -0.342 2.243 1.00 0.00 C ATOM 1121 CE2 PHE A 69 9.200 -1.428 4.105 1.00 0.00 C ATOM 1122 CZ PHE A 69 9.176 -1.130 2.756 1.00 0.00 C ATOM 0 H PHE A 69 4.951 1.338 7.312 1.00 0.00 H new ATOM 0 HA PHE A 69 7.472 1.883 6.075 1.00 0.00 H new ATOM 0 HB2 PHE A 69 5.998 -0.292 6.184 1.00 0.00 H new ATOM 0 HB3 PHE A 69 5.172 0.397 4.801 1.00 0.00 H new ATOM 0 HD1 PHE A 69 6.390 0.761 2.671 1.00 0.00 H new ATOM 0 HD2 PHE A 69 8.235 -1.171 5.991 1.00 0.00 H new ATOM 0 HE1 PHE A 69 8.145 -0.107 1.189 1.00 0.00 H new ATOM 0 HE2 PHE A 69 9.990 -2.044 4.509 1.00 0.00 H new ATOM 0 HZ PHE A 69 9.947 -1.513 2.104 1.00 0.00 H new ATOM 1132 N LEU A 70 4.765 3.284 4.886 1.00 0.00 N ATOM 1133 CA LEU A 70 4.260 4.290 3.955 1.00 0.00 C ATOM 1134 C LEU A 70 5.071 5.577 4.069 1.00 0.00 C ATOM 1135 O LEU A 70 5.335 6.247 3.069 1.00 0.00 O ATOM 1136 CB LEU A 70 2.777 4.582 4.218 1.00 0.00 C ATOM 1137 CG LEU A 70 1.874 4.550 2.979 1.00 0.00 C ATOM 1138 CD1 LEU A 70 0.455 4.970 3.338 1.00 0.00 C ATOM 1139 CD2 LEU A 70 2.431 5.448 1.884 1.00 0.00 C ATOM 0 H LEU A 70 4.082 2.967 5.574 1.00 0.00 H new ATOM 0 HA LEU A 70 4.362 3.895 2.944 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.403 3.855 4.939 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.694 5.564 4.683 1.00 0.00 H new ATOM 0 HG LEU A 70 1.847 3.527 2.605 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.170 4.941 2.445 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.052 4.287 4.086 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.466 5.983 3.740 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.775 5.411 1.014 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.491 6.473 2.250 1.00 0.00 H new ATOM 0 HD23 LEU A 70 3.426 5.104 1.603 1.00 0.00 H new ATOM 1151 N LYS A 71 5.462 5.918 5.296 1.00 0.00 N ATOM 1152 CA LYS A 71 6.254 7.118 5.540 1.00 0.00 C ATOM 1153 C LYS A 71 7.644 6.953 4.946 1.00 0.00 C ATOM 1154 O LYS A 71 8.235 7.905 4.433 1.00 0.00 O ATOM 1155 CB LYS A 71 6.356 7.399 7.040 1.00 0.00 C ATOM 1156 CG LYS A 71 5.012 7.422 7.750 1.00 0.00 C ATOM 1157 CD LYS A 71 5.169 7.206 9.246 1.00 0.00 C ATOM 1158 CE LYS A 71 4.174 8.040 10.036 1.00 0.00 C ATOM 1159 NZ LYS A 71 4.636 8.282 11.430 1.00 0.00 N ATOM 0 H LYS A 71 5.243 5.380 6.134 1.00 0.00 H new ATOM 0 HA LYS A 71 5.759 7.963 5.062 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.987 6.639 7.501 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.852 8.358 7.188 1.00 0.00 H new ATOM 0 HG2 LYS A 71 4.520 8.378 7.569 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.367 6.648 7.335 1.00 0.00 H new ATOM 0 HD2 LYS A 71 5.027 6.151 9.479 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.184 7.466 9.548 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.021 8.995 9.533 1.00 0.00 H new ATOM 0 HE3 LYS A 71 3.210 7.532 10.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 3.930 8.854 11.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 4.758 7.372 11.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 5.544 8.789 11.412 1.00 0.00 H new ATOM 1173 N ALA A 72 8.156 5.732 5.022 1.00 0.00 N ATOM 1174 CA ALA A 72 9.471 5.423 4.480 1.00 0.00 C ATOM 1175 C ALA A 72 9.413 5.418 2.959 1.00 0.00 C ATOM 1176 O ALA A 72 10.312 5.921 2.283 1.00 0.00 O ATOM 1177 CB ALA A 72 9.961 4.080 5.002 1.00 0.00 C ATOM 0 H ALA A 72 7.680 4.940 5.454 1.00 0.00 H new ATOM 0 HA ALA A 72 10.176 6.189 4.803 1.00 0.00 H new ATOM 0 HB1 ALA A 72 10.946 3.865 4.586 1.00 0.00 H new ATOM 0 HB2 ALA A 72 10.026 4.114 6.090 1.00 0.00 H new ATOM 0 HB3 ALA A 72 9.263 3.297 4.704 1.00 0.00 H new ATOM 1183 N LEU A 73 8.340 4.840 2.434 1.00 0.00 N ATOM 1184 CA LEU A 73 8.128 4.765 0.995 1.00 0.00 C ATOM 1185 C LEU A 73 7.978 6.161 0.398 1.00 0.00 C ATOM 1186 O LEU A 73 8.631 6.498 -0.586 1.00 0.00 O ATOM 1187 CB LEU A 73 6.883 3.925 0.691 1.00 0.00 C ATOM 1188 CG LEU A 73 6.320 4.070 -0.726 1.00 0.00 C ATOM 1189 CD1 LEU A 73 7.114 3.222 -1.706 1.00 0.00 C ATOM 1190 CD2 LEU A 73 4.849 3.684 -0.753 1.00 0.00 C ATOM 0 H LEU A 73 7.598 4.413 2.989 1.00 0.00 H new ATOM 0 HA LEU A 73 8.998 4.289 0.542 1.00 0.00 H new ATOM 0 HB2 LEU A 73 7.123 2.876 0.862 1.00 0.00 H new ATOM 0 HB3 LEU A 73 6.102 4.193 1.403 1.00 0.00 H new ATOM 0 HG LEU A 73 6.409 5.113 -1.028 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.699 3.338 -2.707 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.155 3.544 -1.705 1.00 0.00 H new ATOM 0 HD13 LEU A 73 7.058 2.175 -1.409 1.00 0.00 H new ATOM 0 HD21 LEU A 73 4.463 3.792 -1.767 1.00 0.00 H new ATOM 0 HD22 LEU A 73 4.739 2.648 -0.431 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.290 4.334 -0.080 1.00 0.00 H new ATOM 1202 N GLN A 74 7.118 6.968 1.007 1.00 0.00 N ATOM 1203 CA GLN A 74 6.873 8.328 0.538 1.00 0.00 C ATOM 1204 C GLN A 74 8.170 9.126 0.457 1.00 0.00 C ATOM 1205 O GLN A 74 8.481 9.720 -0.576 1.00 0.00 O ATOM 1206 CB GLN A 74 5.886 9.035 1.468 1.00 0.00 C ATOM 1207 CG GLN A 74 5.236 10.262 0.847 1.00 0.00 C ATOM 1208 CD GLN A 74 5.831 11.560 1.358 1.00 0.00 C ATOM 1209 OE1 GLN A 74 6.120 12.471 0.581 1.00 0.00 O ATOM 1210 NE2 GLN A 74 6.018 11.652 2.669 1.00 0.00 N ATOM 0 H GLN A 74 6.576 6.704 1.830 1.00 0.00 H new ATOM 0 HA GLN A 74 6.447 8.267 -0.463 1.00 0.00 H new ATOM 0 HB2 GLN A 74 5.107 8.331 1.761 1.00 0.00 H new ATOM 0 HB3 GLN A 74 6.406 9.332 2.379 1.00 0.00 H new ATOM 0 HG2 GLN A 74 5.347 10.218 -0.236 1.00 0.00 H new ATOM 0 HG3 GLN A 74 4.167 10.249 1.059 1.00 0.00 H new ATOM 0 HE21 GLN A 74 5.764 10.873 3.276 1.00 0.00 H new ATOM 0 HE22 GLN A 74 6.415 12.502 3.069 1.00 0.00 H new ATOM 1219 N GLU A 75 8.926 9.128 1.551 1.00 0.00 N ATOM 1220 CA GLU A 75 10.188 9.862 1.607 1.00 0.00 C ATOM 1221 C GLU A 75 11.184 9.324 0.585 1.00 0.00 C ATOM 1222 O GLU A 75 11.813 10.091 -0.147 1.00 0.00 O ATOM 1223 CB GLU A 75 10.787 9.776 3.012 1.00 0.00 C ATOM 1224 CG GLU A 75 10.371 10.919 3.923 1.00 0.00 C ATOM 1225 CD GLU A 75 11.004 10.830 5.297 1.00 0.00 C ATOM 1226 OE1 GLU A 75 10.564 9.981 6.101 1.00 0.00 O ATOM 1227 OE2 GLU A 75 11.942 11.608 5.570 1.00 0.00 O ATOM 0 H GLU A 75 8.688 8.631 2.409 1.00 0.00 H new ATOM 0 HA GLU A 75 9.981 10.905 1.367 1.00 0.00 H new ATOM 0 HB2 GLU A 75 10.488 8.832 3.468 1.00 0.00 H new ATOM 0 HB3 GLU A 75 11.874 9.762 2.934 1.00 0.00 H new ATOM 0 HG2 GLU A 75 10.648 11.866 3.460 1.00 0.00 H new ATOM 0 HG3 GLU A 75 9.286 10.920 4.026 1.00 0.00 H new ATOM 1234 N LYS A 76 11.320 8.003 0.540 1.00 0.00 N ATOM 1235 CA LYS A 76 12.244 7.354 -0.383 1.00 0.00 C ATOM 1236 C LYS A 76 11.951 7.745 -1.828 1.00 0.00 C ATOM 1237 O LYS A 76 12.817 8.284 -2.522 1.00 0.00 O ATOM 1238 CB LYS A 76 12.164 5.834 -0.230 1.00 0.00 C ATOM 1239 CG LYS A 76 13.373 5.103 -0.786 1.00 0.00 C ATOM 1240 CD LYS A 76 14.407 4.832 0.295 1.00 0.00 C ATOM 1241 CE LYS A 76 15.733 4.390 -0.301 1.00 0.00 C ATOM 1242 NZ LYS A 76 16.797 4.274 0.734 1.00 0.00 N ATOM 0 H LYS A 76 10.799 7.358 1.135 1.00 0.00 H new ATOM 0 HA LYS A 76 13.252 7.689 -0.137 1.00 0.00 H new ATOM 0 HB2 LYS A 76 12.056 5.589 0.827 1.00 0.00 H new ATOM 0 HB3 LYS A 76 11.268 5.473 -0.735 1.00 0.00 H new ATOM 0 HG2 LYS A 76 13.056 4.160 -1.232 1.00 0.00 H new ATOM 0 HG3 LYS A 76 13.824 5.696 -1.582 1.00 0.00 H new ATOM 0 HD2 LYS A 76 14.557 5.733 0.891 1.00 0.00 H new ATOM 0 HD3 LYS A 76 14.035 4.061 0.970 1.00 0.00 H new ATOM 0 HE2 LYS A 76 15.605 3.429 -0.799 1.00 0.00 H new ATOM 0 HE3 LYS A 76 16.044 5.104 -1.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 17.685 3.970 0.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 16.938 5.197 1.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 16.512 3.573 1.448 1.00 0.00 H new ATOM 1256 N VAL A 77 10.726 7.479 -2.278 1.00 0.00 N ATOM 1257 CA VAL A 77 10.337 7.802 -3.647 1.00 0.00 C ATOM 1258 C VAL A 77 10.356 9.310 -3.872 1.00 0.00 C ATOM 1259 O VAL A 77 10.556 9.778 -4.993 1.00 0.00 O ATOM 1260 CB VAL A 77 8.941 7.243 -4.006 1.00 0.00 C ATOM 1261 CG1 VAL A 77 8.733 5.868 -3.391 1.00 0.00 C ATOM 1262 CG2 VAL A 77 7.838 8.195 -3.572 1.00 0.00 C ATOM 0 H VAL A 77 9.992 7.044 -1.719 1.00 0.00 H new ATOM 0 HA VAL A 77 11.068 7.326 -4.301 1.00 0.00 H new ATOM 0 HB VAL A 77 8.893 7.145 -5.091 1.00 0.00 H new ATOM 0 HG11 VAL A 77 7.744 5.496 -3.658 1.00 0.00 H new ATOM 0 HG12 VAL A 77 9.492 5.182 -3.767 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.814 5.939 -2.306 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.868 7.774 -3.838 1.00 0.00 H new ATOM 0 HG22 VAL A 77 7.887 8.340 -2.493 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.967 9.154 -4.073 1.00 0.00 H new ATOM 1272 N GLU A 78 10.145 10.064 -2.796 1.00 0.00 N ATOM 1273 CA GLU A 78 10.149 11.519 -2.876 1.00 0.00 C ATOM 1274 C GLU A 78 11.484 12.016 -3.408 1.00 0.00 C ATOM 1275 O GLU A 78 11.532 12.803 -4.354 1.00 0.00 O ATOM 1276 CB GLU A 78 9.877 12.136 -1.502 1.00 0.00 C ATOM 1277 CG GLU A 78 8.499 12.765 -1.381 1.00 0.00 C ATOM 1278 CD GLU A 78 8.494 13.989 -0.486 1.00 0.00 C ATOM 1279 OE1 GLU A 78 8.710 13.832 0.735 1.00 0.00 O ATOM 1280 OE2 GLU A 78 8.274 15.103 -1.006 1.00 0.00 O ATOM 0 H GLU A 78 9.970 9.692 -1.863 1.00 0.00 H new ATOM 0 HA GLU A 78 9.357 11.824 -3.560 1.00 0.00 H new ATOM 0 HB2 GLU A 78 9.984 11.365 -0.739 1.00 0.00 H new ATOM 0 HB3 GLU A 78 10.633 12.894 -1.297 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.142 13.043 -2.373 1.00 0.00 H new ATOM 0 HG3 GLU A 78 7.800 12.028 -0.986 1.00 0.00 H new ATOM 1287 N ILE A 79 12.566 11.553 -2.792 1.00 0.00 N ATOM 1288 CA ILE A 79 13.907 11.948 -3.212 1.00 0.00 C ATOM 1289 C ILE A 79 14.150 11.589 -4.677 1.00 0.00 C ATOM 1290 O ILE A 79 13.939 12.411 -5.568 1.00 0.00 O ATOM 1291 CB ILE A 79 14.993 11.292 -2.337 1.00 0.00 C ATOM 1292 CG1 ILE A 79 14.757 11.619 -0.862 1.00 0.00 C ATOM 1293 CG2 ILE A 79 16.377 11.755 -2.770 1.00 0.00 C ATOM 1294 CD1 ILE A 79 14.754 10.399 0.033 1.00 0.00 C ATOM 0 H ILE A 79 12.542 10.907 -2.003 1.00 0.00 H new ATOM 0 HA ILE A 79 13.971 13.029 -3.092 1.00 0.00 H new ATOM 0 HB ILE A 79 14.936 10.211 -2.466 1.00 0.00 H new ATOM 0 HG12 ILE A 79 15.531 12.307 -0.522 1.00 0.00 H new ATOM 0 HG13 ILE A 79 13.803 12.137 -0.761 1.00 0.00 H new ATOM 0 HG21 ILE A 79 17.132 11.282 -2.142 1.00 0.00 H new ATOM 0 HG22 ILE A 79 16.545 11.477 -3.810 1.00 0.00 H new ATOM 0 HG23 ILE A 79 16.447 12.838 -2.668 1.00 0.00 H new ATOM 0 HD11 ILE A 79 14.581 10.705 1.065 1.00 0.00 H new ATOM 0 HD12 ILE A 79 13.962 9.719 -0.281 1.00 0.00 H new ATOM 0 HD13 ILE A 79 15.717 9.893 -0.039 1.00 0.00 H new ATOM 1306 N LYS A 80 14.597 10.360 -4.920 1.00 0.00 N ATOM 1307 CA LYS A 80 14.864 9.900 -6.278 1.00 0.00 C ATOM 1308 C LYS A 80 14.637 8.397 -6.401 1.00 0.00 C ATOM 1309 O LYS A 80 15.499 7.598 -6.037 1.00 0.00 O ATOM 1310 CB LYS A 80 16.297 10.245 -6.686 1.00 0.00 C ATOM 1311 CG LYS A 80 16.609 9.923 -8.139 1.00 0.00 C ATOM 1312 CD LYS A 80 17.897 10.591 -8.594 1.00 0.00 C ATOM 1313 CE LYS A 80 19.102 9.693 -8.361 1.00 0.00 C ATOM 1314 NZ LYS A 80 20.381 10.397 -8.650 1.00 0.00 N ATOM 0 H LYS A 80 14.781 9.666 -4.195 1.00 0.00 H new ATOM 0 HA LYS A 80 14.171 10.410 -6.947 1.00 0.00 H new ATOM 0 HB2 LYS A 80 16.470 11.307 -6.512 1.00 0.00 H new ATOM 0 HB3 LYS A 80 16.990 9.700 -6.045 1.00 0.00 H new ATOM 0 HG2 LYS A 80 16.694 8.843 -8.263 1.00 0.00 H new ATOM 0 HG3 LYS A 80 15.784 10.252 -8.771 1.00 0.00 H new ATOM 0 HD2 LYS A 80 17.825 10.838 -9.653 1.00 0.00 H new ATOM 0 HD3 LYS A 80 18.031 11.529 -8.056 1.00 0.00 H new ATOM 0 HE2 LYS A 80 19.103 9.347 -7.327 1.00 0.00 H new ATOM 0 HE3 LYS A 80 19.023 8.808 -8.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 21.179 9.752 -8.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 20.391 10.705 -9.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 20.468 11.227 -8.029 1.00 0.00 H new ATOM 1328 N GLN A 81 13.471 8.021 -6.918 1.00 0.00 N ATOM 1329 CA GLN A 81 13.127 6.614 -7.093 1.00 0.00 C ATOM 1330 C GLN A 81 11.894 6.469 -7.979 1.00 0.00 C ATOM 1331 O GLN A 81 12.007 6.231 -9.182 1.00 0.00 O ATOM 1332 CB GLN A 81 12.880 5.953 -5.734 1.00 0.00 C ATOM 1333 CG GLN A 81 13.980 4.992 -5.316 1.00 0.00 C ATOM 1334 CD GLN A 81 13.711 3.568 -5.762 1.00 0.00 C ATOM 1335 OE1 GLN A 81 13.844 3.239 -6.940 1.00 0.00 O ATOM 1336 NE2 GLN A 81 13.329 2.715 -4.819 1.00 0.00 N ATOM 0 H GLN A 81 12.748 8.672 -7.223 1.00 0.00 H new ATOM 0 HA GLN A 81 13.965 6.115 -7.580 1.00 0.00 H new ATOM 0 HB2 GLN A 81 12.779 6.729 -4.975 1.00 0.00 H new ATOM 0 HB3 GLN A 81 11.933 5.415 -5.768 1.00 0.00 H new ATOM 0 HG2 GLN A 81 14.929 5.327 -5.735 1.00 0.00 H new ATOM 0 HG3 GLN A 81 14.085 5.015 -4.231 1.00 0.00 H new ATOM 0 HE21 GLN A 81 13.232 3.031 -3.854 1.00 0.00 H new ATOM 0 HE22 GLN A 81 13.133 1.743 -5.059 1.00 0.00 H new ATOM 1345 N LEU A 82 10.718 6.613 -7.377 1.00 0.00 N ATOM 1346 CA LEU A 82 9.464 6.505 -8.111 1.00 0.00 C ATOM 1347 C LEU A 82 8.485 7.590 -7.674 1.00 0.00 C ATOM 1348 O LEU A 82 7.511 7.319 -6.972 1.00 0.00 O ATOM 1349 CB LEU A 82 8.840 5.121 -7.912 1.00 0.00 C ATOM 1350 CG LEU A 82 9.160 4.446 -6.579 1.00 0.00 C ATOM 1351 CD1 LEU A 82 7.945 3.696 -6.054 1.00 0.00 C ATOM 1352 CD2 LEU A 82 10.345 3.503 -6.731 1.00 0.00 C ATOM 0 H LEU A 82 10.608 6.805 -6.381 1.00 0.00 H new ATOM 0 HA LEU A 82 9.681 6.641 -9.170 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.758 5.212 -8.004 1.00 0.00 H new ATOM 0 HB3 LEU A 82 9.175 4.470 -8.720 1.00 0.00 H new ATOM 0 HG LEU A 82 9.424 5.218 -5.857 1.00 0.00 H new ATOM 0 HD11 LEU A 82 8.192 3.222 -5.104 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.121 4.395 -5.907 1.00 0.00 H new ATOM 0 HD13 LEU A 82 7.649 2.933 -6.774 1.00 0.00 H new ATOM 0 HD21 LEU A 82 10.559 3.031 -5.772 1.00 0.00 H new ATOM 0 HD22 LEU A 82 10.107 2.736 -7.468 1.00 0.00 H new ATOM 0 HD23 LEU A 82 11.218 4.066 -7.061 1.00 0.00 H new ATOM 1364 N ASN A 83 8.755 8.820 -8.097 1.00 0.00 N ATOM 1365 CA ASN A 83 7.902 9.952 -7.754 1.00 0.00 C ATOM 1366 C ASN A 83 6.588 9.884 -8.524 1.00 0.00 C ATOM 1367 O ASN A 83 5.622 10.571 -8.189 1.00 0.00 O ATOM 1368 CB ASN A 83 8.624 11.267 -8.054 1.00 0.00 C ATOM 1369 CG ASN A 83 7.744 12.480 -7.820 1.00 0.00 C ATOM 1370 OD1 ASN A 83 7.293 12.727 -6.702 1.00 0.00 O ATOM 1371 ND2 ASN A 83 7.495 13.243 -8.878 1.00 0.00 N ATOM 0 H ASN A 83 9.558 9.059 -8.678 1.00 0.00 H new ATOM 0 HA ASN A 83 7.680 9.908 -6.688 1.00 0.00 H new ATOM 0 HB2 ASN A 83 9.513 11.341 -7.427 1.00 0.00 H new ATOM 0 HB3 ASN A 83 8.964 11.263 -9.090 1.00 0.00 H new ATOM 0 HD21 ASN A 83 6.909 14.072 -8.782 1.00 0.00 H new ATOM 0 HD22 ASN A 83 7.890 13.000 -9.786 1.00 0.00 H new ATOM 1378 N HIS A 84 6.559 9.048 -9.557 1.00 0.00 N ATOM 1379 CA HIS A 84 5.364 8.884 -10.377 1.00 0.00 C ATOM 1380 C HIS A 84 4.281 8.141 -9.601 1.00 0.00 C ATOM 1381 O HIS A 84 3.108 8.516 -9.640 1.00 0.00 O ATOM 1382 CB HIS A 84 5.696 8.127 -11.665 1.00 0.00 C ATOM 1383 CG HIS A 84 7.111 8.305 -12.121 1.00 0.00 C ATOM 1384 ND1 HIS A 84 8.164 7.577 -11.609 1.00 0.00 N ATOM 1385 CD2 HIS A 84 7.646 9.136 -13.048 1.00 0.00 C ATOM 1386 CE1 HIS A 84 9.286 7.953 -12.199 1.00 0.00 C ATOM 1387 NE2 HIS A 84 8.998 8.896 -13.076 1.00 0.00 N ATOM 0 H HIS A 84 7.350 8.473 -9.846 1.00 0.00 H new ATOM 0 HA HIS A 84 4.992 9.875 -10.638 1.00 0.00 H new ATOM 0 HB2 HIS A 84 5.504 7.065 -11.511 1.00 0.00 H new ATOM 0 HB3 HIS A 84 5.024 8.461 -12.456 1.00 0.00 H new ATOM 0 HD2 HIS A 84 7.110 9.853 -13.652 1.00 0.00 H new ATOM 0 HE1 HIS A 84 10.270 7.556 -11.998 1.00 0.00 H new ATOM 0 HE2 HIS A 84 9.671 9.370 -13.678 1.00 0.00 H new ATOM 1396 N PHE A 85 4.681 7.084 -8.903 1.00 0.00 N ATOM 1397 CA PHE A 85 3.745 6.292 -8.116 1.00 0.00 C ATOM 1398 C PHE A 85 2.985 7.172 -7.132 1.00 0.00 C ATOM 1399 O PHE A 85 1.802 6.947 -6.874 1.00 0.00 O ATOM 1400 CB PHE A 85 4.479 5.183 -7.357 1.00 0.00 C ATOM 1401 CG PHE A 85 3.562 4.128 -6.804 1.00 0.00 C ATOM 1402 CD1 PHE A 85 2.903 3.252 -7.651 1.00 0.00 C ATOM 1403 CD2 PHE A 85 3.355 4.016 -5.437 1.00 0.00 C ATOM 1404 CE1 PHE A 85 2.057 2.282 -7.147 1.00 0.00 C ATOM 1405 CE2 PHE A 85 2.509 3.047 -4.927 1.00 0.00 C ATOM 1406 CZ PHE A 85 1.860 2.180 -5.784 1.00 0.00 C ATOM 0 H PHE A 85 5.646 6.757 -8.866 1.00 0.00 H new ATOM 0 HA PHE A 85 3.032 5.838 -8.804 1.00 0.00 H new ATOM 0 HB2 PHE A 85 5.201 4.712 -8.025 1.00 0.00 H new ATOM 0 HB3 PHE A 85 5.045 5.627 -6.538 1.00 0.00 H new ATOM 0 HD1 PHE A 85 3.052 3.328 -8.718 1.00 0.00 H new ATOM 0 HD2 PHE A 85 3.860 4.693 -4.763 1.00 0.00 H new ATOM 0 HE1 PHE A 85 1.551 1.605 -7.819 1.00 0.00 H new ATOM 0 HE2 PHE A 85 2.357 2.969 -3.861 1.00 0.00 H new ATOM 0 HZ PHE A 85 1.199 1.423 -5.389 1.00 0.00 H new ATOM 1416 N TRP A 86 3.667 8.177 -6.588 1.00 0.00 N ATOM 1417 CA TRP A 86 3.050 9.086 -5.634 1.00 0.00 C ATOM 1418 C TRP A 86 2.169 10.108 -6.345 1.00 0.00 C ATOM 1419 O TRP A 86 1.054 10.387 -5.904 1.00 0.00 O ATOM 1420 CB TRP A 86 4.114 9.798 -4.800 1.00 0.00 C ATOM 1421 CG TRP A 86 3.537 10.564 -3.652 1.00 0.00 C ATOM 1422 CD1 TRP A 86 3.426 11.919 -3.546 1.00 0.00 C ATOM 1423 CD2 TRP A 86 2.982 10.019 -2.451 1.00 0.00 C ATOM 1424 NE1 TRP A 86 2.835 12.252 -2.351 1.00 0.00 N ATOM 1425 CE2 TRP A 86 2.553 11.101 -1.659 1.00 0.00 C ATOM 1426 CE3 TRP A 86 2.808 8.720 -1.967 1.00 0.00 C ATOM 1427 CZ2 TRP A 86 1.959 10.922 -0.411 1.00 0.00 C ATOM 1428 CZ3 TRP A 86 2.219 8.543 -0.730 1.00 0.00 C ATOM 1429 CH2 TRP A 86 1.800 9.638 0.035 1.00 0.00 C ATOM 0 H TRP A 86 4.645 8.380 -6.793 1.00 0.00 H new ATOM 0 HA TRP A 86 2.422 8.494 -4.968 1.00 0.00 H new ATOM 0 HB2 TRP A 86 4.823 9.062 -4.420 1.00 0.00 H new ATOM 0 HB3 TRP A 86 4.674 10.479 -5.440 1.00 0.00 H new ATOM 0 HD1 TRP A 86 3.755 12.627 -4.292 1.00 0.00 H new ATOM 0 HE1 TRP A 86 2.638 13.200 -2.031 1.00 0.00 H new ATOM 0 HE3 TRP A 86 3.128 7.869 -2.550 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 1.636 11.765 0.182 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 2.079 7.543 -0.347 1.00 0.00 H new ATOM 0 HH2 TRP A 86 1.342 9.466 0.998 1.00 0.00 H new ATOM 1440 N GLU A 87 2.667 10.653 -7.453 1.00 0.00 N ATOM 1441 CA GLU A 87 1.912 11.638 -8.220 1.00 0.00 C ATOM 1442 C GLU A 87 0.643 11.001 -8.772 1.00 0.00 C ATOM 1443 O GLU A 87 -0.336 11.684 -9.075 1.00 0.00 O ATOM 1444 CB GLU A 87 2.763 12.194 -9.363 1.00 0.00 C ATOM 1445 CG GLU A 87 3.505 13.472 -9.005 1.00 0.00 C ATOM 1446 CD GLU A 87 4.164 14.120 -10.206 1.00 0.00 C ATOM 1447 OE1 GLU A 87 5.017 13.465 -10.841 1.00 0.00 O ATOM 1448 OE2 GLU A 87 3.827 15.284 -10.513 1.00 0.00 O ATOM 0 H GLU A 87 3.585 10.430 -7.837 1.00 0.00 H new ATOM 0 HA GLU A 87 1.640 12.462 -7.561 1.00 0.00 H new ATOM 0 HB2 GLU A 87 3.486 11.437 -9.667 1.00 0.00 H new ATOM 0 HB3 GLU A 87 2.121 12.386 -10.223 1.00 0.00 H new ATOM 0 HG2 GLU A 87 2.808 14.178 -8.553 1.00 0.00 H new ATOM 0 HG3 GLU A 87 4.264 13.249 -8.255 1.00 0.00 H new ATOM 1455 N ILE A 88 0.680 9.681 -8.893 1.00 0.00 N ATOM 1456 CA ILE A 88 -0.457 8.924 -9.394 1.00 0.00 C ATOM 1457 C ILE A 88 -1.422 8.606 -8.259 1.00 0.00 C ATOM 1458 O ILE A 88 -2.576 9.034 -8.275 1.00 0.00 O ATOM 1459 CB ILE A 88 -0.013 7.611 -10.073 1.00 0.00 C ATOM 1460 CG1 ILE A 88 0.742 7.911 -11.368 1.00 0.00 C ATOM 1461 CG2 ILE A 88 -1.215 6.719 -10.351 1.00 0.00 C ATOM 1462 CD1 ILE A 88 1.640 6.780 -11.822 1.00 0.00 C ATOM 0 H ILE A 88 1.490 9.111 -8.649 1.00 0.00 H new ATOM 0 HA ILE A 88 -0.957 9.543 -10.139 1.00 0.00 H new ATOM 0 HB ILE A 88 0.657 7.081 -9.396 1.00 0.00 H new ATOM 0 HG12 ILE A 88 0.022 8.131 -12.156 1.00 0.00 H new ATOM 0 HG13 ILE A 88 1.345 8.808 -11.228 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.882 5.798 -10.830 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.715 6.480 -9.413 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.910 7.240 -11.010 1.00 0.00 H new ATOM 0 HD11 ILE A 88 2.143 7.064 -12.746 1.00 0.00 H new ATOM 0 HD12 ILE A 88 2.384 6.575 -11.052 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.040 5.886 -11.995 1.00 0.00 H new ATOM 1474 N VAL A 89 -0.942 7.843 -7.278 1.00 0.00 N ATOM 1475 CA VAL A 89 -1.763 7.471 -6.129 1.00 0.00 C ATOM 1476 C VAL A 89 -2.423 8.688 -5.487 1.00 0.00 C ATOM 1477 O VAL A 89 -3.510 8.583 -4.926 1.00 0.00 O ATOM 1478 CB VAL A 89 -0.950 6.719 -5.056 1.00 0.00 C ATOM 1479 CG1 VAL A 89 -0.365 5.436 -5.625 1.00 0.00 C ATOM 1480 CG2 VAL A 89 0.142 7.610 -4.486 1.00 0.00 C ATOM 0 H VAL A 89 0.008 7.472 -7.256 1.00 0.00 H new ATOM 0 HA VAL A 89 -2.536 6.807 -6.517 1.00 0.00 H new ATOM 0 HB VAL A 89 -1.624 6.450 -4.243 1.00 0.00 H new ATOM 0 HG11 VAL A 89 0.205 4.921 -4.851 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.172 4.790 -5.971 1.00 0.00 H new ATOM 0 HG13 VAL A 89 0.292 5.675 -6.461 1.00 0.00 H new ATOM 0 HG21 VAL A 89 0.703 7.060 -3.731 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.815 7.918 -5.286 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.309 8.492 -4.032 1.00 0.00 H new ATOM 1490 N VAL A 90 -1.782 9.847 -5.595 1.00 0.00 N ATOM 1491 CA VAL A 90 -2.333 11.061 -5.008 1.00 0.00 C ATOM 1492 C VAL A 90 -3.571 11.489 -5.792 1.00 0.00 C ATOM 1493 O VAL A 90 -4.633 11.727 -5.219 1.00 0.00 O ATOM 1494 CB VAL A 90 -1.283 12.202 -4.949 1.00 0.00 C ATOM 1495 CG1 VAL A 90 -1.623 13.347 -5.894 1.00 0.00 C ATOM 1496 CG2 VAL A 90 -1.140 12.712 -3.524 1.00 0.00 C ATOM 0 H VAL A 90 -0.892 9.970 -6.077 1.00 0.00 H new ATOM 0 HA VAL A 90 -2.619 10.847 -3.978 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.331 11.786 -5.278 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.860 14.121 -5.817 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -1.661 12.975 -6.918 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -2.593 13.766 -5.624 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -0.400 13.512 -3.496 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -2.100 13.093 -3.176 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.817 11.897 -2.877 1.00 0.00 H new ATOM 1506 N GLN A 91 -3.416 11.587 -7.109 1.00 0.00 N ATOM 1507 CA GLN A 91 -4.523 11.948 -7.982 1.00 0.00 C ATOM 1508 C GLN A 91 -5.661 10.943 -7.837 1.00 0.00 C ATOM 1509 O GLN A 91 -6.835 11.315 -7.826 1.00 0.00 O ATOM 1510 CB GLN A 91 -4.056 12.007 -9.438 1.00 0.00 C ATOM 1511 CG GLN A 91 -3.449 13.345 -9.829 1.00 0.00 C ATOM 1512 CD GLN A 91 -4.471 14.300 -10.415 1.00 0.00 C ATOM 1513 OE1 GLN A 91 -5.193 14.979 -9.684 1.00 0.00 O ATOM 1514 NE2 GLN A 91 -4.536 14.355 -11.739 1.00 0.00 N ATOM 0 H GLN A 91 -2.534 11.421 -7.593 1.00 0.00 H new ATOM 0 HA GLN A 91 -4.886 12.934 -7.691 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -3.320 11.221 -9.607 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -4.903 11.797 -10.091 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -2.991 13.802 -8.952 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -2.653 13.180 -10.555 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -3.917 13.774 -12.305 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -5.204 14.979 -12.191 1.00 0.00 H new ATOM 1523 N ASP A 92 -5.302 9.665 -7.729 1.00 0.00 N ATOM 1524 CA ASP A 92 -6.286 8.595 -7.580 1.00 0.00 C ATOM 1525 C ASP A 92 -7.057 8.718 -6.266 1.00 0.00 C ATOM 1526 O ASP A 92 -8.000 7.966 -6.020 1.00 0.00 O ATOM 1527 CB ASP A 92 -5.597 7.231 -7.651 1.00 0.00 C ATOM 1528 CG ASP A 92 -6.426 6.203 -8.396 1.00 0.00 C ATOM 1529 OD1 ASP A 92 -6.363 6.179 -9.643 1.00 0.00 O ATOM 1530 OD2 ASP A 92 -7.139 5.422 -7.732 1.00 0.00 O ATOM 0 H ASP A 92 -4.334 9.345 -7.742 1.00 0.00 H new ATOM 0 HA ASP A 92 -6.999 8.686 -8.399 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -4.631 7.340 -8.143 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -5.401 6.873 -6.640 1.00 0.00 H new ATOM 1535 N GLY A 93 -6.652 9.666 -5.428 1.00 0.00 N ATOM 1536 CA GLY A 93 -7.324 9.868 -4.155 1.00 0.00 C ATOM 1537 C GLY A 93 -6.845 8.927 -3.064 1.00 0.00 C ATOM 1538 O GLY A 93 -7.618 8.554 -2.181 1.00 0.00 O ATOM 0 H GLY A 93 -5.872 10.298 -5.606 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -7.170 10.897 -3.830 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -8.397 9.735 -4.294 1.00 0.00 H new ATOM 1542 N ILE A 94 -5.573 8.541 -3.117 1.00 0.00 N ATOM 1543 CA ILE A 94 -5.009 7.648 -2.110 1.00 0.00 C ATOM 1544 C ILE A 94 -4.578 8.441 -0.880 1.00 0.00 C ATOM 1545 O ILE A 94 -3.713 9.313 -0.962 1.00 0.00 O ATOM 1546 CB ILE A 94 -3.803 6.852 -2.651 1.00 0.00 C ATOM 1547 CG1 ILE A 94 -4.245 5.909 -3.775 1.00 0.00 C ATOM 1548 CG2 ILE A 94 -3.128 6.072 -1.529 1.00 0.00 C ATOM 1549 CD1 ILE A 94 -5.115 4.761 -3.307 1.00 0.00 C ATOM 0 H ILE A 94 -4.917 8.831 -3.842 1.00 0.00 H new ATOM 0 HA ILE A 94 -5.790 6.938 -1.840 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.079 7.558 -3.059 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -4.790 6.483 -4.524 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.360 5.504 -4.266 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -2.280 5.517 -1.931 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.779 6.765 -0.763 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -3.842 5.375 -1.090 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -5.386 4.139 -4.160 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -4.566 4.161 -2.581 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -6.019 5.155 -2.843 1.00 0.00 H new ATOM 1561 N THR A 95 -5.188 8.128 0.255 1.00 0.00 N ATOM 1562 CA THR A 95 -4.886 8.815 1.504 1.00 0.00 C ATOM 1563 C THR A 95 -3.971 7.979 2.393 1.00 0.00 C ATOM 1564 O THR A 95 -3.388 6.990 1.949 1.00 0.00 O ATOM 1565 CB THR A 95 -6.178 9.170 2.268 1.00 0.00 C ATOM 1566 OG1 THR A 95 -5.884 10.042 3.367 1.00 0.00 O ATOM 1567 CG2 THR A 95 -6.873 7.916 2.780 1.00 0.00 C ATOM 0 H THR A 95 -5.898 7.400 0.337 1.00 0.00 H new ATOM 0 HA THR A 95 -4.366 9.737 1.246 1.00 0.00 H new ATOM 0 HB THR A 95 -6.847 9.679 1.574 1.00 0.00 H new ATOM 0 HG1 THR A 95 -6.174 9.623 4.204 1.00 0.00 H new ATOM 0 HG21 THR A 95 -7.781 8.196 3.315 1.00 0.00 H new ATOM 0 HG22 THR A 95 -7.131 7.274 1.938 1.00 0.00 H new ATOM 0 HG23 THR A 95 -6.205 7.380 3.454 1.00 0.00 H new ATOM 1575 N LEU A 96 -3.852 8.388 3.651 1.00 0.00 N ATOM 1576 CA LEU A 96 -2.999 7.696 4.606 1.00 0.00 C ATOM 1577 C LEU A 96 -3.844 7.003 5.663 1.00 0.00 C ATOM 1578 O LEU A 96 -5.055 7.217 5.743 1.00 0.00 O ATOM 1579 CB LEU A 96 -2.035 8.681 5.275 1.00 0.00 C ATOM 1580 CG LEU A 96 -0.680 8.863 4.581 1.00 0.00 C ATOM 1581 CD1 LEU A 96 0.318 7.832 5.084 1.00 0.00 C ATOM 1582 CD2 LEU A 96 -0.821 8.776 3.067 1.00 0.00 C ATOM 0 H LEU A 96 -4.338 9.199 4.033 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.419 6.946 4.068 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -2.524 9.653 5.337 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.857 8.348 6.297 1.00 0.00 H new ATOM 0 HG LEU A 96 -0.307 9.858 4.826 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.274 7.976 4.581 1.00 0.00 H new ATOM 0 HD12 LEU A 96 0.452 7.950 6.159 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -0.056 6.830 4.873 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.156 8.909 2.602 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.223 7.800 2.794 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.497 9.557 2.719 1.00 0.00 H new ATOM 1594 N ILE A 97 -3.203 6.172 6.472 1.00 0.00 N ATOM 1595 CA ILE A 97 -3.899 5.453 7.527 1.00 0.00 C ATOM 1596 C ILE A 97 -4.463 6.433 8.557 1.00 0.00 C ATOM 1597 O ILE A 97 -3.725 6.983 9.375 1.00 0.00 O ATOM 1598 CB ILE A 97 -2.959 4.437 8.215 1.00 0.00 C ATOM 1599 CG1 ILE A 97 -2.956 3.114 7.442 1.00 0.00 C ATOM 1600 CG2 ILE A 97 -3.363 4.211 9.666 1.00 0.00 C ATOM 1601 CD1 ILE A 97 -2.187 3.173 6.137 1.00 0.00 C ATOM 0 H ILE A 97 -2.203 5.980 6.417 1.00 0.00 H new ATOM 0 HA ILE A 97 -4.725 4.903 7.075 1.00 0.00 H new ATOM 0 HB ILE A 97 -1.949 4.848 8.211 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -2.525 2.336 8.072 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -3.985 2.822 7.234 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -2.684 3.492 10.125 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -3.313 5.155 10.209 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -4.381 3.824 9.704 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -2.229 2.201 5.646 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -2.631 3.927 5.487 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -1.148 3.433 6.338 1.00 0.00 H new ATOM 1613 N THR A 98 -5.770 6.667 8.494 1.00 0.00 N ATOM 1614 CA THR A 98 -6.426 7.580 9.422 1.00 0.00 C ATOM 1615 C THR A 98 -7.148 6.824 10.532 1.00 0.00 C ATOM 1616 O THR A 98 -7.682 5.738 10.312 1.00 0.00 O ATOM 1617 CB THR A 98 -7.436 8.488 8.697 1.00 0.00 C ATOM 1618 OG1 THR A 98 -6.956 8.808 7.386 1.00 0.00 O ATOM 1619 CG2 THR A 98 -7.672 9.770 9.482 1.00 0.00 C ATOM 0 H THR A 98 -6.394 6.238 7.811 1.00 0.00 H new ATOM 0 HA THR A 98 -5.640 8.195 9.861 1.00 0.00 H new ATOM 0 HB THR A 98 -8.381 7.950 8.616 1.00 0.00 H new ATOM 0 HG1 THR A 98 -7.306 8.158 6.742 1.00 0.00 H new ATOM 0 HG21 THR A 98 -8.389 10.395 8.950 1.00 0.00 H new ATOM 0 HG22 THR A 98 -8.066 9.525 10.469 1.00 0.00 H new ATOM 0 HG23 THR A 98 -6.731 10.309 9.590 1.00 0.00 H new ATOM 1627 N LYS A 99 -7.142 7.405 11.728 1.00 0.00 N ATOM 1628 CA LYS A 99 -7.797 6.810 12.891 1.00 0.00 C ATOM 1629 C LYS A 99 -9.173 6.247 12.542 1.00 0.00 C ATOM 1630 O LYS A 99 -9.392 5.037 12.605 1.00 0.00 O ATOM 1631 CB LYS A 99 -7.936 7.851 14.002 1.00 0.00 C ATOM 1632 CG LYS A 99 -8.101 9.274 13.489 1.00 0.00 C ATOM 1633 CD LYS A 99 -8.038 10.286 14.620 1.00 0.00 C ATOM 1634 CE LYS A 99 -7.149 11.467 14.263 1.00 0.00 C ATOM 1635 NZ LYS A 99 -7.812 12.768 14.550 1.00 0.00 N ATOM 0 H LYS A 99 -6.686 8.297 11.919 1.00 0.00 H new ATOM 0 HA LYS A 99 -7.173 5.984 13.233 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -8.796 7.596 14.622 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -7.056 7.805 14.643 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -7.320 9.492 12.761 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -9.055 9.366 12.970 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -9.043 10.642 14.848 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -7.659 9.803 15.521 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -6.217 11.403 14.825 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -6.888 11.418 13.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -7.173 13.547 14.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -8.688 12.841 13.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -8.038 12.826 15.563 1.00 0.00 H new ATOM 1649 N GLU A 100 -10.095 7.132 12.176 1.00 0.00 N ATOM 1650 CA GLU A 100 -11.456 6.729 11.827 1.00 0.00 C ATOM 1651 C GLU A 100 -11.463 5.612 10.786 1.00 0.00 C ATOM 1652 O GLU A 100 -12.400 4.816 10.726 1.00 0.00 O ATOM 1653 CB GLU A 100 -12.242 7.931 11.302 1.00 0.00 C ATOM 1654 CG GLU A 100 -13.653 8.026 11.861 1.00 0.00 C ATOM 1655 CD GLU A 100 -14.714 7.748 10.815 1.00 0.00 C ATOM 1656 OE1 GLU A 100 -14.947 8.626 9.958 1.00 0.00 O ATOM 1657 OE2 GLU A 100 -15.314 6.653 10.854 1.00 0.00 O ATOM 0 H GLU A 100 -9.925 8.136 12.113 1.00 0.00 H new ATOM 0 HA GLU A 100 -11.931 6.349 12.732 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -11.700 8.844 11.548 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -12.294 7.874 10.215 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -13.763 7.318 12.682 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -13.809 9.022 12.276 1.00 0.00 H new ATOM 1664 N GLU A 101 -10.416 5.556 9.970 1.00 0.00 N ATOM 1665 CA GLU A 101 -10.313 4.538 8.930 1.00 0.00 C ATOM 1666 C GLU A 101 -9.870 3.192 9.501 1.00 0.00 C ATOM 1667 O GLU A 101 -10.298 2.141 9.026 1.00 0.00 O ATOM 1668 CB GLU A 101 -9.337 4.989 7.840 1.00 0.00 C ATOM 1669 CG GLU A 101 -9.943 5.969 6.849 1.00 0.00 C ATOM 1670 CD GLU A 101 -9.103 6.122 5.596 1.00 0.00 C ATOM 1671 OE1 GLU A 101 -8.073 6.825 5.656 1.00 0.00 O ATOM 1672 OE2 GLU A 101 -9.477 5.541 4.556 1.00 0.00 O ATOM 0 H GLU A 101 -9.628 6.202 10.008 1.00 0.00 H new ATOM 0 HA GLU A 101 -11.305 4.409 8.496 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -8.468 5.451 8.310 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -8.979 4.113 7.299 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -10.942 5.631 6.574 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -10.056 6.942 7.328 1.00 0.00 H new ATOM 1679 N ALA A 102 -9.014 3.227 10.521 1.00 0.00 N ATOM 1680 CA ALA A 102 -8.517 2.000 11.134 1.00 0.00 C ATOM 1681 C ALA A 102 -8.762 1.977 12.641 1.00 0.00 C ATOM 1682 O ALA A 102 -9.661 1.285 13.121 1.00 0.00 O ATOM 1683 CB ALA A 102 -7.034 1.830 10.840 1.00 0.00 C ATOM 0 H ALA A 102 -8.653 4.086 10.937 1.00 0.00 H new ATOM 0 HA ALA A 102 -9.069 1.167 10.699 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -6.674 0.911 11.303 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -6.880 1.778 9.762 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -6.483 2.679 11.244 1.00 0.00 H new ATOM 1689 N SER A 103 -7.961 2.737 13.381 1.00 0.00 N ATOM 1690 CA SER A 103 -8.087 2.793 14.834 1.00 0.00 C ATOM 1691 C SER A 103 -8.639 4.141 15.279 1.00 0.00 C ATOM 1692 O SER A 103 -7.885 5.089 15.489 1.00 0.00 O ATOM 1693 CB SER A 103 -6.731 2.540 15.497 1.00 0.00 C ATOM 1694 OG SER A 103 -6.851 2.512 16.909 1.00 0.00 O ATOM 0 H SER A 103 -7.218 3.322 12.999 1.00 0.00 H new ATOM 0 HA SER A 103 -8.784 2.014 15.143 1.00 0.00 H new ATOM 0 HB2 SER A 103 -6.321 1.593 15.145 1.00 0.00 H new ATOM 0 HB3 SER A 103 -6.028 3.320 15.204 1.00 0.00 H new ATOM 0 HG SER A 103 -5.972 2.347 17.309 1.00 0.00 H new ATOM 1700 N GLY A 104 -9.963 4.215 15.400 1.00 0.00 N ATOM 1701 CA GLY A 104 -10.629 5.440 15.816 1.00 0.00 C ATOM 1702 C GLY A 104 -9.845 6.276 16.814 1.00 0.00 C ATOM 1703 O GLY A 104 -9.338 5.766 17.813 1.00 0.00 O ATOM 0 H GLY A 104 -10.595 3.436 15.214 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -10.831 6.046 14.933 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -11.593 5.183 16.254 1.00 0.00 H new ATOM 1707 N SER A 105 -9.770 7.574 16.525 1.00 0.00 N ATOM 1708 CA SER A 105 -9.074 8.543 17.374 1.00 0.00 C ATOM 1709 C SER A 105 -7.573 8.262 17.514 1.00 0.00 C ATOM 1710 O SER A 105 -6.817 9.146 17.916 1.00 0.00 O ATOM 1711 CB SER A 105 -9.719 8.583 18.760 1.00 0.00 C ATOM 1712 OG SER A 105 -11.118 8.785 18.666 1.00 0.00 O ATOM 0 H SER A 105 -10.191 7.986 15.693 1.00 0.00 H new ATOM 0 HA SER A 105 -9.171 9.510 16.881 1.00 0.00 H new ATOM 0 HB2 SER A 105 -9.518 7.649 19.285 1.00 0.00 H new ATOM 0 HB3 SER A 105 -9.272 9.383 19.350 1.00 0.00 H new ATOM 0 HG SER A 105 -11.507 8.805 19.565 1.00 0.00 H new ATOM 1718 N SER A 106 -7.135 7.048 17.190 1.00 0.00 N ATOM 1719 CA SER A 106 -5.724 6.698 17.320 1.00 0.00 C ATOM 1720 C SER A 106 -4.972 6.809 15.994 1.00 0.00 C ATOM 1721 O SER A 106 -4.867 5.836 15.250 1.00 0.00 O ATOM 1722 CB SER A 106 -5.584 5.279 17.874 1.00 0.00 C ATOM 1723 OG SER A 106 -5.364 5.297 19.274 1.00 0.00 O ATOM 0 H SER A 106 -7.730 6.297 16.839 1.00 0.00 H new ATOM 0 HA SER A 106 -5.278 7.413 18.011 1.00 0.00 H new ATOM 0 HB2 SER A 106 -6.485 4.708 17.652 1.00 0.00 H new ATOM 0 HB3 SER A 106 -4.756 4.772 17.379 1.00 0.00 H new ATOM 0 HG SER A 106 -5.280 4.378 19.604 1.00 0.00 H new ATOM 1729 N VAL A 107 -4.444 8.005 15.728 1.00 0.00 N ATOM 1730 CA VAL A 107 -3.664 8.286 14.519 1.00 0.00 C ATOM 1731 C VAL A 107 -3.249 9.755 14.512 1.00 0.00 C ATOM 1732 O VAL A 107 -4.050 10.636 14.820 1.00 0.00 O ATOM 1733 CB VAL A 107 -4.433 7.954 13.214 1.00 0.00 C ATOM 1734 CG1 VAL A 107 -4.136 8.973 12.120 1.00 0.00 C ATOM 1735 CG2 VAL A 107 -4.078 6.557 12.727 1.00 0.00 C ATOM 0 H VAL A 107 -4.545 8.810 16.347 1.00 0.00 H new ATOM 0 HA VAL A 107 -2.786 7.640 14.544 1.00 0.00 H new ATOM 0 HB VAL A 107 -5.498 7.995 13.440 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -4.691 8.711 11.219 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -4.437 9.965 12.456 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -3.068 8.972 11.902 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.627 6.341 11.810 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.007 6.501 12.531 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.345 5.827 13.491 1.00 0.00 H new ATOM 1745 N THR A 108 -1.995 10.013 14.160 1.00 0.00 N ATOM 1746 CA THR A 108 -1.476 11.374 14.136 1.00 0.00 C ATOM 1747 C THR A 108 -1.993 12.166 12.936 1.00 0.00 C ATOM 1748 O THR A 108 -2.284 11.605 11.880 1.00 0.00 O ATOM 1749 CB THR A 108 0.064 11.383 14.121 1.00 0.00 C ATOM 1750 OG1 THR A 108 0.549 12.727 14.221 1.00 0.00 O ATOM 1751 CG2 THR A 108 0.601 10.740 12.852 1.00 0.00 C ATOM 0 H THR A 108 -1.320 9.298 13.888 1.00 0.00 H new ATOM 0 HA THR A 108 -1.833 11.854 15.047 1.00 0.00 H new ATOM 0 HB THR A 108 0.413 10.805 14.977 1.00 0.00 H new ATOM 0 HG1 THR A 108 1.529 12.723 14.212 1.00 0.00 H new ATOM 0 HG21 THR A 108 1.691 10.760 12.867 1.00 0.00 H new ATOM 0 HG22 THR A 108 0.257 9.707 12.794 1.00 0.00 H new ATOM 0 HG23 THR A 108 0.240 11.292 11.984 1.00 0.00 H new ATOM 1759 N ALA A 109 -2.101 13.479 13.123 1.00 0.00 N ATOM 1760 CA ALA A 109 -2.566 14.386 12.078 1.00 0.00 C ATOM 1761 C ALA A 109 -1.464 14.644 11.057 1.00 0.00 C ATOM 1762 O ALA A 109 -1.704 15.198 9.986 1.00 0.00 O ATOM 1763 CB ALA A 109 -3.043 15.695 12.686 1.00 0.00 C ATOM 0 H ALA A 109 -1.869 13.943 14.001 1.00 0.00 H new ATOM 0 HA ALA A 109 -3.404 13.915 11.564 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -3.386 16.360 11.894 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -3.864 15.498 13.376 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -2.221 16.167 13.225 1.00 0.00 H new ATOM 1769 N GLU A 110 -0.252 14.237 11.410 1.00 0.00 N ATOM 1770 CA GLU A 110 0.909 14.432 10.550 1.00 0.00 C ATOM 1771 C GLU A 110 1.004 13.314 9.519 1.00 0.00 C ATOM 1772 O GLU A 110 1.705 13.434 8.515 1.00 0.00 O ATOM 1773 CB GLU A 110 2.190 14.488 11.385 1.00 0.00 C ATOM 1774 CG GLU A 110 3.119 15.626 10.995 1.00 0.00 C ATOM 1775 CD GLU A 110 4.367 15.680 11.854 1.00 0.00 C ATOM 1776 OE1 GLU A 110 5.298 14.888 11.598 1.00 0.00 O ATOM 1777 OE2 GLU A 110 4.413 16.513 12.784 1.00 0.00 O ATOM 0 H GLU A 110 -0.046 13.767 12.291 1.00 0.00 H new ATOM 0 HA GLU A 110 0.791 15.381 10.026 1.00 0.00 H new ATOM 0 HB2 GLU A 110 1.924 14.591 12.437 1.00 0.00 H new ATOM 0 HB3 GLU A 110 2.723 13.543 11.282 1.00 0.00 H new ATOM 0 HG2 GLU A 110 3.406 15.513 9.950 1.00 0.00 H new ATOM 0 HG3 GLU A 110 2.584 16.572 11.078 1.00 0.00 H new ATOM 1784 N GLU A 111 0.298 12.223 9.782 1.00 0.00 N ATOM 1785 CA GLU A 111 0.312 11.076 8.893 1.00 0.00 C ATOM 1786 C GLU A 111 -0.709 11.232 7.771 1.00 0.00 C ATOM 1787 O GLU A 111 -0.387 11.039 6.601 1.00 0.00 O ATOM 1788 CB GLU A 111 0.030 9.792 9.681 1.00 0.00 C ATOM 1789 CG GLU A 111 -0.443 8.641 8.817 1.00 0.00 C ATOM 1790 CD GLU A 111 -0.203 7.295 9.466 1.00 0.00 C ATOM 1791 OE1 GLU A 111 0.932 7.053 9.928 1.00 0.00 O ATOM 1792 OE2 GLU A 111 -1.149 6.484 9.518 1.00 0.00 O ATOM 0 H GLU A 111 -0.292 12.111 10.606 1.00 0.00 H new ATOM 0 HA GLU A 111 1.303 11.013 8.444 1.00 0.00 H new ATOM 0 HB2 GLU A 111 0.936 9.492 10.207 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -0.725 10.000 10.440 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -1.507 8.758 8.612 1.00 0.00 H new ATOM 0 HG3 GLU A 111 0.072 8.675 7.857 1.00 0.00 H new ATOM 1799 N ALA A 112 -1.935 11.591 8.129 1.00 0.00 N ATOM 1800 CA ALA A 112 -3.002 11.733 7.146 1.00 0.00 C ATOM 1801 C ALA A 112 -3.066 13.121 6.509 1.00 0.00 C ATOM 1802 O ALA A 112 -3.323 13.243 5.311 1.00 0.00 O ATOM 1803 CB ALA A 112 -4.341 11.390 7.782 1.00 0.00 C ATOM 0 H ALA A 112 -2.215 11.789 9.090 1.00 0.00 H new ATOM 0 HA ALA A 112 -2.775 11.035 6.340 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -5.134 11.498 7.042 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -4.320 10.362 8.143 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -4.530 12.064 8.618 1.00 0.00 H new ATOM 1809 N LYS A 113 -2.834 14.165 7.299 1.00 0.00 N ATOM 1810 CA LYS A 113 -2.921 15.531 6.788 1.00 0.00 C ATOM 1811 C LYS A 113 -1.614 16.026 6.172 1.00 0.00 C ATOM 1812 O LYS A 113 -1.615 16.587 5.078 1.00 0.00 O ATOM 1813 CB LYS A 113 -3.358 16.484 7.902 1.00 0.00 C ATOM 1814 CG LYS A 113 -4.489 15.941 8.760 1.00 0.00 C ATOM 1815 CD LYS A 113 -5.328 17.063 9.351 1.00 0.00 C ATOM 1816 CE LYS A 113 -6.814 16.764 9.242 1.00 0.00 C ATOM 1817 NZ LYS A 113 -7.580 17.936 8.737 1.00 0.00 N ATOM 0 H LYS A 113 -2.587 14.094 8.286 1.00 0.00 H new ATOM 0 HA LYS A 113 -3.665 15.517 5.991 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -2.501 16.701 8.540 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -3.672 17.429 7.458 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -5.123 15.289 8.159 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -4.077 15.331 9.564 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -5.060 17.206 10.398 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -5.105 17.997 8.834 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -6.966 15.916 8.574 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -7.198 16.473 10.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -8.589 17.692 8.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -7.456 18.738 9.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -7.231 18.198 7.793 1.00 0.00 H new ATOM 1831 N LYS A 114 -0.501 15.815 6.865 1.00 0.00 N ATOM 1832 CA LYS A 114 0.794 16.284 6.380 1.00 0.00 C ATOM 1833 C LYS A 114 1.216 15.588 5.089 1.00 0.00 C ATOM 1834 O LYS A 114 1.956 16.155 4.285 1.00 0.00 O ATOM 1835 CB LYS A 114 1.864 16.085 7.452 1.00 0.00 C ATOM 1836 CG LYS A 114 2.818 17.259 7.587 1.00 0.00 C ATOM 1837 CD LYS A 114 3.978 17.150 6.610 1.00 0.00 C ATOM 1838 CE LYS A 114 4.862 18.386 6.656 1.00 0.00 C ATOM 1839 NZ LYS A 114 6.212 18.124 6.084 1.00 0.00 N ATOM 0 H LYS A 114 -0.467 15.325 7.759 1.00 0.00 H new ATOM 0 HA LYS A 114 0.689 17.346 6.160 1.00 0.00 H new ATOM 0 HB2 LYS A 114 1.377 15.912 8.412 1.00 0.00 H new ATOM 0 HB3 LYS A 114 2.437 15.187 7.219 1.00 0.00 H new ATOM 0 HG2 LYS A 114 2.279 18.190 7.410 1.00 0.00 H new ATOM 0 HG3 LYS A 114 3.202 17.302 8.606 1.00 0.00 H new ATOM 0 HD2 LYS A 114 4.572 16.267 6.846 1.00 0.00 H new ATOM 0 HD3 LYS A 114 3.593 17.014 5.599 1.00 0.00 H new ATOM 0 HE2 LYS A 114 4.384 19.195 6.103 1.00 0.00 H new ATOM 0 HE3 LYS A 114 4.964 18.722 7.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 6.915 18.722 6.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 6.458 17.123 6.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 6.207 18.344 5.068 1.00 0.00 H new ATOM 1853 N PHE A 115 0.747 14.362 4.888 1.00 0.00 N ATOM 1854 CA PHE A 115 1.100 13.600 3.693 1.00 0.00 C ATOM 1855 C PHE A 115 0.397 14.131 2.448 1.00 0.00 C ATOM 1856 O PHE A 115 1.028 14.327 1.409 1.00 0.00 O ATOM 1857 CB PHE A 115 0.762 12.123 3.891 1.00 0.00 C ATOM 1858 CG PHE A 115 1.906 11.322 4.439 1.00 0.00 C ATOM 1859 CD1 PHE A 115 2.411 11.587 5.702 1.00 0.00 C ATOM 1860 CD2 PHE A 115 2.477 10.306 3.691 1.00 0.00 C ATOM 1861 CE1 PHE A 115 3.465 10.852 6.209 1.00 0.00 C ATOM 1862 CE2 PHE A 115 3.531 9.568 4.192 1.00 0.00 C ATOM 1863 CZ PHE A 115 4.025 9.842 5.453 1.00 0.00 C ATOM 0 H PHE A 115 0.124 13.875 5.533 1.00 0.00 H new ATOM 0 HA PHE A 115 2.173 13.712 3.540 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -0.088 12.039 4.568 1.00 0.00 H new ATOM 0 HB3 PHE A 115 0.453 11.697 2.937 1.00 0.00 H new ATOM 0 HD1 PHE A 115 1.976 12.377 6.296 1.00 0.00 H new ATOM 0 HD2 PHE A 115 2.094 10.089 2.705 1.00 0.00 H new ATOM 0 HE1 PHE A 115 3.850 11.067 7.195 1.00 0.00 H new ATOM 0 HE2 PHE A 115 3.968 8.778 3.599 1.00 0.00 H new ATOM 0 HZ PHE A 115 4.849 9.266 5.847 1.00 0.00 H new ATOM 1873 N LEU A 116 -0.907 14.363 2.551 1.00 0.00 N ATOM 1874 CA LEU A 116 -1.682 14.860 1.419 1.00 0.00 C ATOM 1875 C LEU A 116 -1.507 16.366 1.243 1.00 0.00 C ATOM 1876 O LEU A 116 -1.752 16.906 0.165 1.00 0.00 O ATOM 1877 CB LEU A 116 -3.162 14.518 1.598 1.00 0.00 C ATOM 1878 CG LEU A 116 -3.554 13.102 1.168 1.00 0.00 C ATOM 1879 CD1 LEU A 116 -4.472 12.467 2.198 1.00 0.00 C ATOM 1880 CD2 LEU A 116 -4.220 13.127 -0.201 1.00 0.00 C ATOM 0 H LEU A 116 -1.448 14.216 3.403 1.00 0.00 H new ATOM 0 HA LEU A 116 -1.309 14.371 0.519 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -3.426 14.649 2.647 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -3.756 15.232 1.028 1.00 0.00 H new ATOM 0 HG LEU A 116 -2.649 12.499 1.099 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -4.740 11.461 1.875 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -3.960 12.416 3.159 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -5.375 13.068 2.300 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -4.492 12.112 -0.492 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -5.117 13.745 -0.158 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -3.528 13.541 -0.935 1.00 0.00 H new ATOM 1892 N ALA A 117 -1.081 17.041 2.307 1.00 0.00 N ATOM 1893 CA ALA A 117 -0.872 18.483 2.262 1.00 0.00 C ATOM 1894 C ALA A 117 0.548 18.819 1.809 1.00 0.00 C ATOM 1895 O ALA A 117 1.480 18.053 2.055 1.00 0.00 O ATOM 1896 CB ALA A 117 -1.155 19.105 3.621 1.00 0.00 C ATOM 0 H ALA A 117 -0.874 16.612 3.209 1.00 0.00 H new ATOM 0 HA ALA A 117 -1.568 18.901 1.534 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -0.994 20.182 3.569 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -2.189 18.906 3.904 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -0.486 18.674 4.365 1.00 0.00 H new ATOM 1902 N PRO A 118 0.732 19.973 1.139 1.00 0.00 N ATOM 1903 CA PRO A 118 2.048 20.402 0.655 1.00 0.00 C ATOM 1904 C PRO A 118 2.951 20.887 1.784 1.00 0.00 C ATOM 1905 O PRO A 118 2.620 20.746 2.961 1.00 0.00 O ATOM 1906 CB PRO A 118 1.713 21.551 -0.295 1.00 0.00 C ATOM 1907 CG PRO A 118 0.437 22.112 0.229 1.00 0.00 C ATOM 1908 CD PRO A 118 -0.325 20.946 0.801 1.00 0.00 C ATOM 0 HA PRO A 118 2.598 19.587 0.185 1.00 0.00 H new ATOM 0 HB2 PRO A 118 2.503 22.302 -0.302 1.00 0.00 H new ATOM 0 HB3 PRO A 118 1.599 21.198 -1.320 1.00 0.00 H new ATOM 0 HG2 PRO A 118 0.627 22.866 0.993 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -0.131 22.598 -0.565 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -0.900 21.235 1.681 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -1.032 20.536 0.079 1.00 0.00 H new ATOM 1916 N LYS A 119 4.092 21.461 1.415 1.00 0.00 N ATOM 1917 CA LYS A 119 5.046 21.970 2.395 1.00 0.00 C ATOM 1918 C LYS A 119 5.127 23.491 2.335 1.00 0.00 C ATOM 1919 O LYS A 119 4.921 24.173 3.338 1.00 0.00 O ATOM 1920 CB LYS A 119 6.429 21.362 2.154 1.00 0.00 C ATOM 1921 CG LYS A 119 7.136 20.934 3.430 1.00 0.00 C ATOM 1922 CD LYS A 119 8.360 20.085 3.129 1.00 0.00 C ATOM 1923 CE LYS A 119 9.065 19.654 4.405 1.00 0.00 C ATOM 1924 NZ LYS A 119 10.298 18.867 4.120 1.00 0.00 N ATOM 0 H LYS A 119 4.379 21.585 0.444 1.00 0.00 H new ATOM 0 HA LYS A 119 4.699 21.682 3.388 1.00 0.00 H new ATOM 0 HB2 LYS A 119 6.327 20.498 1.497 1.00 0.00 H new ATOM 0 HB3 LYS A 119 7.050 22.089 1.631 1.00 0.00 H new ATOM 0 HG2 LYS A 119 7.434 21.817 3.996 1.00 0.00 H new ATOM 0 HG3 LYS A 119 6.446 20.370 4.058 1.00 0.00 H new ATOM 0 HD2 LYS A 119 8.062 19.204 2.561 1.00 0.00 H new ATOM 0 HD3 LYS A 119 9.051 20.650 2.503 1.00 0.00 H new ATOM 0 HE2 LYS A 119 9.324 20.535 4.992 1.00 0.00 H new ATOM 0 HE3 LYS A 119 8.385 19.056 5.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 10.749 18.592 5.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 10.048 18.013 3.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 10.958 19.446 3.563 1.00 0.00 H new ATOM 1938 N ASP A 120 5.430 24.015 1.151 1.00 0.00 N ATOM 1939 CA ASP A 120 5.540 25.457 0.959 1.00 0.00 C ATOM 1940 C ASP A 120 4.252 26.028 0.376 1.00 0.00 C ATOM 1941 O ASP A 120 3.817 27.116 0.754 1.00 0.00 O ATOM 1942 CB ASP A 120 6.718 25.782 0.037 1.00 0.00 C ATOM 1943 CG ASP A 120 8.058 25.595 0.723 1.00 0.00 C ATOM 1944 OD1 ASP A 120 8.582 24.463 0.703 1.00 0.00 O ATOM 1945 OD2 ASP A 120 8.581 26.583 1.279 1.00 0.00 O ATOM 0 H ASP A 120 5.604 23.463 0.311 1.00 0.00 H new ATOM 0 HA ASP A 120 5.712 25.916 1.933 1.00 0.00 H new ATOM 0 HB2 ASP A 120 6.672 25.143 -0.845 1.00 0.00 H new ATOM 0 HB3 ASP A 120 6.631 26.812 -0.310 1.00 0.00 H new TER 1950 ASP A 120