USER MOD reduce.3.24.130724 H: found=0, std=0, add=729, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 732 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 40 SER OG : rot -40:sc= 1.2 USER MOD Set 1.2: A 42 ASN : amide:sc= -0.0383 X(o=1.2,f=0.94) USER MOD Set 2.1: A 31 SER OG : rot -47:sc= 0.00305 USER MOD Set 2.2: A 122 GLN : amide:sc= -2.04 K(o=-2,f=-5.9!) USER MOD Set 3.1: A 7 GLN :FLIP amide:sc= -2.66! C(o=-3.7!,f=-2.3!) USER MOD Set 3.2: A 28 THR OG1 : rot 79:sc= 0.327 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 180:sc= -0.686 USER MOD Single : A 12 LYS NZ :NH3+ -160:sc= 0.341 (180deg=0.182) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot -82:sc= 1.86 USER MOD Single : A 30 SER OG : rot 180:sc= -0.088 USER MOD Single : A 32 ASN : amide:sc= -0.0065 X(o=-0.0065,f=0.043) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -4.37! C(o=-4.4!,f=-5.3!) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS :FLIP no HD1:sc= -1.56 F(o=-7.4!,f=-1.6) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 37:sc= 0.748 USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 157:sc= -11.7! (180deg=-12.8!) USER MOD Single : A 58 THR OG1 : rot -72:sc= -1.94! USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.975 USER MOD Single : A 96 SER OG : rot -85:sc= 0.247 USER MOD Single : A 97 SER OG : rot -24:sc= 0.71 USER MOD Single : A 98 THR OG1 : rot -47:sc= 1.14 USER MOD Single : A 100 GLN : amide:sc= -0.548 X(o=-0.55,f=-0.09) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 HIS : no HD1:sc= -6.88! C(o=-6.9!,f=-7.8!) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 121 SER OG : rot 79:sc= 1.19 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 37 N ILE A 3 -12.472 -11.870 12.582 1.00 0.00 N ATOM 38 CA ILE A 3 -12.247 -10.532 13.109 1.00 0.00 C ATOM 39 C ILE A 3 -12.081 -9.524 11.975 1.00 0.00 C ATOM 40 O ILE A 3 -11.336 -9.765 11.026 1.00 0.00 O ATOM 41 CB ILE A 3 -10.998 -10.483 14.012 1.00 0.00 C ATOM 42 CG1 ILE A 3 -10.991 -11.666 14.982 1.00 0.00 C ATOM 43 CG2 ILE A 3 -10.948 -9.166 14.773 1.00 0.00 C ATOM 44 CD1 ILE A 3 -12.190 -11.698 15.906 1.00 0.00 C ATOM 0 HA ILE A 3 -13.122 -10.272 13.704 1.00 0.00 H new ATOM 0 HB ILE A 3 -10.111 -10.552 13.382 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -10.958 -12.594 14.411 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -10.081 -11.628 15.582 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -10.061 -9.145 15.406 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -10.908 -8.338 14.065 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -11.839 -9.070 15.393 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -12.118 -12.563 16.565 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -12.213 -10.787 16.504 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -13.103 -11.767 15.315 1.00 0.00 H new ATOM 56 N PRO A 4 -12.774 -8.376 12.050 1.00 0.00 N ATOM 57 CA PRO A 4 -12.693 -7.343 11.016 1.00 0.00 C ATOM 58 C PRO A 4 -11.260 -6.902 10.744 1.00 0.00 C ATOM 59 O PRO A 4 -10.527 -6.533 11.663 1.00 0.00 O ATOM 60 CB PRO A 4 -13.507 -6.184 11.595 1.00 0.00 C ATOM 61 CG PRO A 4 -14.433 -6.818 12.574 1.00 0.00 C ATOM 62 CD PRO A 4 -13.691 -7.995 13.141 1.00 0.00 C ATOM 0 HA PRO A 4 -13.066 -7.704 10.058 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -12.862 -5.451 12.079 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -14.057 -5.658 10.814 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -14.711 -6.116 13.360 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -15.356 -7.135 12.089 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -13.148 -7.729 14.048 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -14.367 -8.809 13.401 1.00 0.00 H new ATOM 70 N ILE A 5 -10.875 -6.940 9.477 1.00 0.00 N ATOM 71 CA ILE A 5 -9.530 -6.541 9.072 1.00 0.00 C ATOM 72 C ILE A 5 -9.485 -5.072 8.648 1.00 0.00 C ATOM 73 O ILE A 5 -8.414 -4.468 8.586 1.00 0.00 O ATOM 74 CB ILE A 5 -9.001 -7.419 7.920 1.00 0.00 C ATOM 75 CG1 ILE A 5 -9.289 -8.895 8.197 1.00 0.00 C ATOM 76 CG2 ILE A 5 -7.510 -7.194 7.723 1.00 0.00 C ATOM 77 CD1 ILE A 5 -8.569 -9.433 9.415 1.00 0.00 C ATOM 0 H ILE A 5 -11.474 -7.243 8.709 1.00 0.00 H new ATOM 0 HA ILE A 5 -8.890 -6.678 9.943 1.00 0.00 H new ATOM 0 HB ILE A 5 -9.517 -7.134 7.003 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -10.362 -9.029 8.331 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -9.001 -9.483 7.325 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -7.152 -7.821 6.906 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -7.329 -6.146 7.482 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -6.979 -7.453 8.639 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -8.820 -10.485 9.551 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -7.493 -9.332 9.276 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -8.875 -8.870 10.297 1.00 0.00 H new ATOM 89 N LYS A 6 -10.654 -4.496 8.370 1.00 0.00 N ATOM 90 CA LYS A 6 -10.756 -3.095 7.969 1.00 0.00 C ATOM 91 C LYS A 6 -12.179 -2.770 7.563 1.00 0.00 C ATOM 92 O LYS A 6 -12.647 -3.222 6.534 1.00 0.00 O ATOM 93 CB LYS A 6 -9.830 -2.771 6.785 1.00 0.00 C ATOM 94 CG LYS A 6 -8.918 -1.581 7.015 1.00 0.00 C ATOM 95 CD LYS A 6 -8.064 -1.747 8.262 1.00 0.00 C ATOM 96 CE LYS A 6 -7.678 -0.401 8.854 1.00 0.00 C ATOM 97 NZ LYS A 6 -6.909 -0.550 10.121 1.00 0.00 N ATOM 0 H LYS A 6 -11.549 -4.983 8.416 1.00 0.00 H new ATOM 0 HA LYS A 6 -10.455 -2.495 8.828 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -9.218 -3.646 6.567 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -10.441 -2.581 5.902 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.271 -1.448 6.148 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.519 -0.676 7.106 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -8.610 -2.329 9.004 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -7.163 -2.309 8.016 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -7.082 0.156 8.131 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -8.578 0.184 9.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -6.665 0.391 10.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -7.487 -1.059 10.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -6.037 -1.086 9.937 1.00 0.00 H new ATOM 111 N GLN A 7 -12.855 -1.969 8.354 1.00 0.00 N ATOM 112 CA GLN A 7 -14.219 -1.575 8.028 1.00 0.00 C ATOM 113 C GLN A 7 -14.326 -0.058 8.012 1.00 0.00 C ATOM 114 O GLN A 7 -14.177 0.592 9.047 1.00 0.00 O ATOM 115 CB GLN A 7 -15.223 -2.149 9.030 1.00 0.00 C ATOM 116 CG GLN A 7 -14.842 -3.511 9.579 1.00 0.00 C ATOM 117 CD GLN A 7 -15.764 -3.962 10.696 1.00 0.00 C ATOM 118 OE1 GLN A 7 -15.253 -3.962 11.923 1.00 0.00 O flip ATOM 119 NE2 GLN A 7 -16.923 -4.307 10.461 1.00 0.00 N flip ATOM 0 H GLN A 7 -12.492 -1.577 9.223 1.00 0.00 H new ATOM 0 HA GLN A 7 -14.457 -1.975 7.042 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -15.330 -1.451 9.861 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -16.198 -2.223 8.549 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -14.866 -4.244 8.773 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -13.817 -3.477 9.949 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -17.275 -4.292 9.504 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -17.530 -4.608 11.223 1.00 0.00 H new ATOM 128 N SER A 8 -14.576 0.505 6.840 1.00 0.00 N ATOM 129 CA SER A 8 -14.688 1.953 6.715 1.00 0.00 C ATOM 130 C SER A 8 -15.423 2.350 5.442 1.00 0.00 C ATOM 131 O SER A 8 -15.895 1.497 4.689 1.00 0.00 O ATOM 132 CB SER A 8 -13.299 2.594 6.734 1.00 0.00 C ATOM 133 OG SER A 8 -12.353 1.744 7.357 1.00 0.00 O ATOM 0 H SER A 8 -14.704 -0.011 5.969 1.00 0.00 H new ATOM 0 HA SER A 8 -15.266 2.314 7.565 1.00 0.00 H new ATOM 0 HB2 SER A 8 -12.981 2.811 5.714 1.00 0.00 H new ATOM 0 HB3 SER A 8 -13.342 3.546 7.264 1.00 0.00 H new ATOM 0 HG SER A 8 -11.473 2.176 7.355 1.00 0.00 H new ATOM 139 N PHE A 9 -15.514 3.655 5.212 1.00 0.00 N ATOM 140 CA PHE A 9 -16.191 4.177 4.032 1.00 0.00 C ATOM 141 C PHE A 9 -15.199 4.415 2.901 1.00 0.00 C ATOM 142 O PHE A 9 -14.220 5.145 3.062 1.00 0.00 O ATOM 143 CB PHE A 9 -16.923 5.481 4.366 1.00 0.00 C ATOM 144 CG PHE A 9 -17.554 5.492 5.732 1.00 0.00 C ATOM 145 CD1 PHE A 9 -18.128 4.343 6.255 1.00 0.00 C ATOM 146 CD2 PHE A 9 -17.573 6.651 6.491 1.00 0.00 C ATOM 147 CE1 PHE A 9 -18.708 4.352 7.509 1.00 0.00 C ATOM 148 CE2 PHE A 9 -18.152 6.665 7.746 1.00 0.00 C ATOM 149 CZ PHE A 9 -18.720 5.514 8.256 1.00 0.00 C ATOM 0 H PHE A 9 -15.127 4.371 5.828 1.00 0.00 H new ATOM 0 HA PHE A 9 -16.920 3.435 3.706 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -16.219 6.310 4.295 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -17.696 5.654 3.618 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -18.122 3.431 5.676 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -17.130 7.554 6.097 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -19.152 3.451 7.905 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -18.160 7.575 8.327 1.00 0.00 H new ATOM 0 HZ PHE A 9 -19.173 5.522 9.237 1.00 0.00 H new ATOM 159 N LEU A 10 -15.458 3.794 1.756 1.00 0.00 N ATOM 160 CA LEU A 10 -14.587 3.938 0.596 1.00 0.00 C ATOM 161 C LEU A 10 -15.314 4.636 -0.545 1.00 0.00 C ATOM 162 O LEU A 10 -16.539 4.577 -0.642 1.00 0.00 O ATOM 163 CB LEU A 10 -14.094 2.570 0.125 1.00 0.00 C ATOM 164 CG LEU A 10 -12.822 2.067 0.809 1.00 0.00 C ATOM 165 CD1 LEU A 10 -13.117 1.660 2.244 1.00 0.00 C ATOM 166 CD2 LEU A 10 -12.223 0.901 0.035 1.00 0.00 C ATOM 0 H LEU A 10 -16.264 3.186 1.606 1.00 0.00 H new ATOM 0 HA LEU A 10 -13.732 4.546 0.893 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -14.887 1.840 0.286 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -13.916 2.615 -0.949 1.00 0.00 H new ATOM 0 HG LEU A 10 -12.094 2.878 0.823 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -12.202 1.304 2.717 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -13.500 2.519 2.795 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -13.862 0.864 2.251 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -11.319 0.557 0.537 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -12.945 0.086 -0.011 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -11.976 1.224 -0.976 1.00 0.00 H new ATOM 178 N LEU A 11 -14.551 5.286 -1.412 1.00 0.00 N ATOM 179 CA LEU A 11 -15.128 5.982 -2.555 1.00 0.00 C ATOM 180 C LEU A 11 -15.182 5.054 -3.766 1.00 0.00 C ATOM 181 O LEU A 11 -14.286 4.232 -3.963 1.00 0.00 O ATOM 182 CB LEU A 11 -14.317 7.239 -2.884 1.00 0.00 C ATOM 183 CG LEU A 11 -15.113 8.546 -2.874 1.00 0.00 C ATOM 184 CD1 LEU A 11 -15.812 8.736 -1.538 1.00 0.00 C ATOM 185 CD2 LEU A 11 -14.201 9.727 -3.176 1.00 0.00 C ATOM 0 H LEU A 11 -13.535 5.347 -1.347 1.00 0.00 H new ATOM 0 HA LEU A 11 -16.144 6.284 -2.300 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -13.500 7.324 -2.167 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -13.866 7.114 -3.868 1.00 0.00 H new ATOM 0 HG LEU A 11 -15.874 8.492 -3.652 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -16.373 9.671 -1.550 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -16.496 7.905 -1.364 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -15.070 8.769 -0.740 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -14.783 10.648 -3.165 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -13.417 9.784 -2.421 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -13.749 9.595 -4.159 1.00 0.00 H new ATOM 197 N LYS A 12 -16.233 5.180 -4.569 1.00 0.00 N ATOM 198 CA LYS A 12 -16.390 4.340 -5.754 1.00 0.00 C ATOM 199 C LYS A 12 -16.851 5.160 -6.955 1.00 0.00 C ATOM 200 O LYS A 12 -17.977 5.657 -6.985 1.00 0.00 O ATOM 201 CB LYS A 12 -17.387 3.211 -5.475 1.00 0.00 C ATOM 202 CG LYS A 12 -16.775 1.823 -5.569 1.00 0.00 C ATOM 203 CD LYS A 12 -17.088 1.165 -6.904 1.00 0.00 C ATOM 204 CE LYS A 12 -16.007 1.455 -7.933 1.00 0.00 C ATOM 205 NZ LYS A 12 -16.560 1.528 -9.313 1.00 0.00 N ATOM 0 H LYS A 12 -16.986 5.852 -4.423 1.00 0.00 H new ATOM 0 HA LYS A 12 -15.418 3.908 -5.991 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -17.808 3.347 -4.479 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -18.213 3.284 -6.183 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -15.695 1.891 -5.440 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -17.154 1.201 -4.758 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -17.182 0.088 -6.767 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -18.049 1.525 -7.272 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -15.516 2.397 -7.688 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -15.245 0.677 -7.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -15.794 1.387 -10.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -17.279 0.787 -9.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -16.994 2.461 -9.464 1.00 0.00 H new ATOM 219 N ARG A 13 -15.971 5.297 -7.944 1.00 0.00 N ATOM 220 CA ARG A 13 -16.283 6.058 -9.151 1.00 0.00 C ATOM 221 C ARG A 13 -17.549 5.530 -9.822 1.00 0.00 C ATOM 222 O ARG A 13 -17.846 4.338 -9.759 1.00 0.00 O ATOM 223 CB ARG A 13 -15.107 6.004 -10.131 1.00 0.00 C ATOM 224 CG ARG A 13 -14.912 4.644 -10.782 1.00 0.00 C ATOM 225 CD ARG A 13 -13.445 4.366 -11.066 1.00 0.00 C ATOM 226 NE ARG A 13 -13.203 2.955 -11.361 1.00 0.00 N ATOM 227 CZ ARG A 13 -13.403 2.401 -12.554 1.00 0.00 C ATOM 228 NH1 ARG A 13 -13.852 3.131 -13.568 1.00 0.00 N ATOM 229 NH2 ARG A 13 -13.156 1.110 -12.734 1.00 0.00 N ATOM 0 H ARG A 13 -15.036 4.891 -7.933 1.00 0.00 H new ATOM 0 HA ARG A 13 -16.458 7.094 -8.861 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -15.261 6.751 -10.910 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -14.194 6.278 -9.603 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -15.311 3.867 -10.130 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -15.478 4.601 -11.712 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -13.117 4.974 -11.909 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -12.846 4.665 -10.206 1.00 0.00 H new ATOM 0 HE ARG A 13 -12.860 2.359 -10.607 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -14.046 4.124 -13.435 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -14.003 2.699 -14.480 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -12.813 0.543 -11.958 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -13.309 0.684 -13.648 1.00 0.00 H new ATOM 319 N LYS A 20 -14.187 11.146 -13.725 1.00 0.00 N ATOM 320 CA LYS A 20 -14.506 10.237 -12.629 1.00 0.00 C ATOM 321 C LYS A 20 -15.439 10.897 -11.618 1.00 0.00 C ATOM 322 O LYS A 20 -15.520 12.123 -11.534 1.00 0.00 O ATOM 323 CB LYS A 20 -13.223 9.768 -11.939 1.00 0.00 C ATOM 324 CG LYS A 20 -12.881 8.313 -12.223 1.00 0.00 C ATOM 325 CD LYS A 20 -11.651 7.867 -11.452 1.00 0.00 C ATOM 326 CE LYS A 20 -10.628 7.205 -12.361 1.00 0.00 C ATOM 327 NZ LYS A 20 -9.264 7.214 -11.764 1.00 0.00 N ATOM 0 HA LYS A 20 -15.020 9.372 -13.047 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -12.394 10.398 -12.262 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -13.327 9.906 -10.863 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.728 7.681 -11.956 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -12.709 8.181 -13.291 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -11.198 8.728 -10.960 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -11.946 7.170 -10.668 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.930 6.177 -12.559 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -10.607 7.722 -13.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -8.597 6.753 -12.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.964 8.196 -11.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -9.277 6.699 -10.861 1.00 0.00 H new ATOM 341 N GLU A 21 -16.136 10.068 -10.850 1.00 0.00 N ATOM 342 CA GLU A 21 -17.066 10.545 -9.836 1.00 0.00 C ATOM 343 C GLU A 21 -17.298 9.452 -8.802 1.00 0.00 C ATOM 344 O GLU A 21 -18.113 8.551 -9.004 1.00 0.00 O ATOM 345 CB GLU A 21 -18.391 10.967 -10.471 1.00 0.00 C ATOM 346 CG GLU A 21 -19.088 12.095 -9.731 1.00 0.00 C ATOM 347 CD GLU A 21 -20.599 11.975 -9.774 1.00 0.00 C ATOM 348 OE1 GLU A 21 -21.206 12.480 -10.742 1.00 0.00 O ATOM 349 OE2 GLU A 21 -21.174 11.378 -8.841 1.00 0.00 O ATOM 0 H GLU A 21 -16.073 9.052 -10.912 1.00 0.00 H new ATOM 0 HA GLU A 21 -16.635 11.418 -9.346 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -18.209 11.277 -11.500 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -19.056 10.104 -10.511 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -18.757 12.102 -8.692 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -18.790 13.049 -10.167 1.00 0.00 H new ATOM 356 N TRP A 22 -16.559 9.532 -7.710 1.00 0.00 N ATOM 357 CA TRP A 22 -16.650 8.546 -6.645 1.00 0.00 C ATOM 358 C TRP A 22 -17.693 8.943 -5.606 1.00 0.00 C ATOM 359 O TRP A 22 -17.771 10.100 -5.199 1.00 0.00 O ATOM 360 CB TRP A 22 -15.286 8.367 -5.973 1.00 0.00 C ATOM 361 CG TRP A 22 -14.144 8.245 -6.941 1.00 0.00 C ATOM 362 CD1 TRP A 22 -13.791 9.136 -7.915 1.00 0.00 C ATOM 363 CD2 TRP A 22 -13.197 7.173 -7.019 1.00 0.00 C ATOM 364 NE1 TRP A 22 -12.690 8.680 -8.597 1.00 0.00 N ATOM 365 CE2 TRP A 22 -12.306 7.479 -8.066 1.00 0.00 C ATOM 366 CE3 TRP A 22 -13.013 5.981 -6.308 1.00 0.00 C ATOM 367 CZ2 TRP A 22 -11.254 6.641 -8.415 1.00 0.00 C ATOM 368 CZ3 TRP A 22 -11.965 5.151 -6.661 1.00 0.00 C ATOM 369 CH2 TRP A 22 -11.103 5.486 -7.701 1.00 0.00 C ATOM 0 H TRP A 22 -15.883 10.276 -7.536 1.00 0.00 H new ATOM 0 HA TRP A 22 -16.960 7.601 -7.091 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -15.102 9.215 -5.314 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -15.315 7.476 -5.345 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -14.304 10.064 -8.119 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -12.233 9.159 -9.373 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -13.677 5.715 -5.499 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -10.581 6.893 -9.221 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -11.813 4.228 -6.121 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -10.294 4.816 -7.950 1.00 0.00 H new ATOM 380 N LYS A 23 -18.485 7.966 -5.178 1.00 0.00 N ATOM 381 CA LYS A 23 -19.519 8.200 -4.180 1.00 0.00 C ATOM 382 C LYS A 23 -19.154 7.520 -2.864 1.00 0.00 C ATOM 383 O LYS A 23 -18.294 6.640 -2.828 1.00 0.00 O ATOM 384 CB LYS A 23 -20.870 7.683 -4.681 1.00 0.00 C ATOM 385 CG LYS A 23 -21.769 8.775 -5.239 1.00 0.00 C ATOM 386 CD LYS A 23 -23.240 8.441 -5.042 1.00 0.00 C ATOM 387 CE LYS A 23 -24.103 9.067 -6.124 1.00 0.00 C ATOM 388 NZ LYS A 23 -25.549 9.029 -5.773 1.00 0.00 N ATOM 0 H LYS A 23 -18.429 7.003 -5.508 1.00 0.00 H new ATOM 0 HA LYS A 23 -19.595 9.274 -4.009 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -20.699 6.934 -5.454 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -21.385 7.183 -3.861 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -21.541 9.721 -4.749 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -21.564 8.909 -6.301 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -23.373 7.359 -5.050 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -23.567 8.795 -4.064 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -23.795 10.101 -6.281 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -23.944 8.540 -7.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -26.103 9.466 -6.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -25.850 8.041 -5.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -25.705 9.553 -4.889 1.00 0.00 H new ATOM 402 N LYS A 24 -19.809 7.935 -1.786 1.00 0.00 N ATOM 403 CA LYS A 24 -19.547 7.364 -0.470 1.00 0.00 C ATOM 404 C LYS A 24 -20.025 5.917 -0.396 1.00 0.00 C ATOM 405 O LYS A 24 -21.198 5.626 -0.632 1.00 0.00 O ATOM 406 CB LYS A 24 -20.232 8.197 0.614 1.00 0.00 C ATOM 407 CG LYS A 24 -19.383 9.354 1.118 1.00 0.00 C ATOM 408 CD LYS A 24 -18.747 9.036 2.462 1.00 0.00 C ATOM 409 CE LYS A 24 -18.809 10.228 3.405 1.00 0.00 C ATOM 410 NZ LYS A 24 -18.851 9.806 4.832 1.00 0.00 N ATOM 0 H LYS A 24 -20.524 8.663 -1.797 1.00 0.00 H new ATOM 0 HA LYS A 24 -18.470 7.378 -0.304 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -21.170 8.589 0.221 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -20.484 7.549 1.454 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -18.604 9.579 0.390 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -20.001 10.247 1.209 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -19.257 8.186 2.915 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -17.708 8.742 2.313 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -17.941 10.866 3.241 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -19.692 10.826 3.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -18.893 10.647 5.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -19.693 9.218 4.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -17.997 9.257 5.057 1.00 0.00 H new ATOM 424 N LYS A 25 -19.107 5.015 -0.062 1.00 0.00 N ATOM 425 CA LYS A 25 -19.425 3.597 0.050 1.00 0.00 C ATOM 426 C LYS A 25 -18.987 3.058 1.408 1.00 0.00 C ATOM 427 O LYS A 25 -18.336 3.759 2.179 1.00 0.00 O ATOM 428 CB LYS A 25 -18.750 2.808 -1.074 1.00 0.00 C ATOM 429 CG LYS A 25 -19.691 1.856 -1.794 1.00 0.00 C ATOM 430 CD LYS A 25 -19.647 2.055 -3.301 1.00 0.00 C ATOM 431 CE LYS A 25 -20.935 1.592 -3.963 1.00 0.00 C ATOM 432 NZ LYS A 25 -21.799 2.739 -4.359 1.00 0.00 N ATOM 0 H LYS A 25 -18.133 5.243 0.136 1.00 0.00 H new ATOM 0 HA LYS A 25 -20.505 3.478 -0.040 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -18.330 3.507 -1.797 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -17.918 2.240 -0.659 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -19.421 0.827 -1.555 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -20.709 2.010 -1.436 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -19.480 3.109 -3.525 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -18.804 1.503 -3.717 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -20.697 0.996 -4.844 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -21.483 0.944 -3.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -22.667 2.381 -4.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -22.048 3.294 -3.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -21.286 3.344 -5.032 1.00 0.00 H new ATOM 446 N TYR A 26 -19.346 1.811 1.692 1.00 0.00 N ATOM 447 CA TYR A 26 -18.988 1.180 2.958 1.00 0.00 C ATOM 448 C TYR A 26 -18.400 -0.206 2.719 1.00 0.00 C ATOM 449 O TYR A 26 -19.086 -1.102 2.235 1.00 0.00 O ATOM 450 CB TYR A 26 -20.218 1.076 3.860 1.00 0.00 C ATOM 451 CG TYR A 26 -19.947 0.432 5.202 1.00 0.00 C ATOM 452 CD1 TYR A 26 -20.001 -0.948 5.357 1.00 0.00 C ATOM 453 CD2 TYR A 26 -19.646 1.204 6.317 1.00 0.00 C ATOM 454 CE1 TYR A 26 -19.761 -1.539 6.583 1.00 0.00 C ATOM 455 CE2 TYR A 26 -19.406 0.621 7.546 1.00 0.00 C ATOM 456 CZ TYR A 26 -19.464 -0.750 7.674 1.00 0.00 C ATOM 457 OH TYR A 26 -19.227 -1.334 8.897 1.00 0.00 O ATOM 0 H TYR A 26 -19.885 1.216 1.063 1.00 0.00 H new ATOM 0 HA TYR A 26 -18.236 1.797 3.450 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -20.621 2.075 4.023 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -20.987 0.503 3.343 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -20.234 -1.569 4.505 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -19.599 2.279 6.221 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -19.806 -2.613 6.686 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -19.174 1.237 8.403 1.00 0.00 H new ATOM 0 HH TYR A 26 -20.081 -1.536 9.334 1.00 0.00 H new ATOM 467 N VAL A 27 -17.126 -0.375 3.055 1.00 0.00 N ATOM 468 CA VAL A 27 -16.456 -1.659 2.867 1.00 0.00 C ATOM 469 C VAL A 27 -16.045 -2.273 4.190 1.00 0.00 C ATOM 470 O VAL A 27 -15.691 -1.563 5.132 1.00 0.00 O ATOM 471 CB VAL A 27 -15.188 -1.529 1.997 1.00 0.00 C ATOM 472 CG1 VAL A 27 -14.888 -2.847 1.300 1.00 0.00 C ATOM 473 CG2 VAL A 27 -15.337 -0.407 0.981 1.00 0.00 C ATOM 0 H VAL A 27 -16.538 0.355 3.457 1.00 0.00 H new ATOM 0 HA VAL A 27 -17.182 -2.298 2.365 1.00 0.00 H new ATOM 0 HB VAL A 27 -14.350 -1.282 2.649 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -13.991 -2.740 0.690 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -14.729 -3.625 2.046 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -15.729 -3.122 0.663 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -14.430 -0.337 0.381 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -16.187 -0.615 0.331 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -15.501 0.536 1.502 1.00 0.00 H new ATOM 483 N THR A 28 -16.058 -3.597 4.245 1.00 0.00 N ATOM 484 CA THR A 28 -15.647 -4.301 5.445 1.00 0.00 C ATOM 485 C THR A 28 -14.803 -5.521 5.102 1.00 0.00 C ATOM 486 O THR A 28 -15.307 -6.519 4.585 1.00 0.00 O ATOM 487 CB THR A 28 -16.842 -4.744 6.289 1.00 0.00 C ATOM 488 OG1 THR A 28 -17.553 -3.624 6.783 1.00 0.00 O ATOM 489 CG2 THR A 28 -16.431 -5.598 7.478 1.00 0.00 C ATOM 0 H THR A 28 -16.348 -4.200 3.475 1.00 0.00 H new ATOM 0 HA THR A 28 -15.053 -3.596 6.027 1.00 0.00 H new ATOM 0 HB THR A 28 -17.471 -5.338 5.627 1.00 0.00 H new ATOM 0 HG1 THR A 28 -18.128 -3.264 6.076 1.00 0.00 H new ATOM 0 HG21 THR A 28 -17.318 -5.885 8.043 1.00 0.00 H new ATOM 0 HG22 THR A 28 -15.921 -6.494 7.124 1.00 0.00 H new ATOM 0 HG23 THR A 28 -15.760 -5.028 8.121 1.00 0.00 H new ATOM 497 N LEU A 29 -13.528 -5.440 5.435 1.00 0.00 N ATOM 498 CA LEU A 29 -12.610 -6.533 5.223 1.00 0.00 C ATOM 499 C LEU A 29 -12.615 -7.399 6.467 1.00 0.00 C ATOM 500 O LEU A 29 -12.266 -6.931 7.547 1.00 0.00 O ATOM 501 CB LEU A 29 -11.202 -6.007 4.955 1.00 0.00 C ATOM 502 CG LEU A 29 -10.514 -6.604 3.733 1.00 0.00 C ATOM 503 CD1 LEU A 29 -10.320 -8.100 3.916 1.00 0.00 C ATOM 504 CD2 LEU A 29 -11.318 -6.315 2.476 1.00 0.00 C ATOM 0 H LEU A 29 -13.105 -4.614 5.859 1.00 0.00 H new ATOM 0 HA LEU A 29 -12.920 -7.115 4.355 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -11.252 -4.925 4.833 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -10.585 -6.201 5.832 1.00 0.00 H new ATOM 0 HG LEU A 29 -9.533 -6.141 3.624 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -9.828 -8.513 3.036 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -9.703 -8.282 4.796 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -11.290 -8.579 4.048 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -10.812 -6.748 1.613 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -12.312 -6.752 2.571 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -11.407 -5.237 2.341 1.00 0.00 H new ATOM 516 N SER A 30 -13.036 -8.643 6.323 1.00 0.00 N ATOM 517 CA SER A 30 -13.106 -9.550 7.461 1.00 0.00 C ATOM 518 C SER A 30 -12.035 -10.622 7.375 1.00 0.00 C ATOM 519 O SER A 30 -11.479 -10.878 6.306 1.00 0.00 O ATOM 520 CB SER A 30 -14.487 -10.202 7.539 1.00 0.00 C ATOM 521 OG SER A 30 -14.593 -11.034 8.682 1.00 0.00 O ATOM 0 H SER A 30 -13.334 -9.049 5.436 1.00 0.00 H new ATOM 0 HA SER A 30 -12.934 -8.964 8.364 1.00 0.00 H new ATOM 0 HB2 SER A 30 -15.256 -9.430 7.574 1.00 0.00 H new ATOM 0 HB3 SER A 30 -14.667 -10.790 6.639 1.00 0.00 H new ATOM 0 HG SER A 30 -15.485 -11.438 8.711 1.00 0.00 H new ATOM 527 N SER A 31 -11.755 -11.254 8.508 1.00 0.00 N ATOM 528 CA SER A 31 -10.754 -12.310 8.555 1.00 0.00 C ATOM 529 C SER A 31 -11.297 -13.615 7.965 1.00 0.00 C ATOM 530 O SER A 31 -10.606 -14.633 7.952 1.00 0.00 O ATOM 531 CB SER A 31 -10.291 -12.546 9.994 1.00 0.00 C ATOM 532 OG SER A 31 -8.977 -13.075 10.027 1.00 0.00 O ATOM 0 H SER A 31 -12.205 -11.055 9.402 1.00 0.00 H new ATOM 0 HA SER A 31 -9.904 -11.987 7.954 1.00 0.00 H new ATOM 0 HB2 SER A 31 -10.323 -11.608 10.548 1.00 0.00 H new ATOM 0 HB3 SER A 31 -10.976 -13.233 10.491 1.00 0.00 H new ATOM 0 HG SER A 31 -8.904 -13.810 9.383 1.00 0.00 H new ATOM 538 N ASN A 32 -12.540 -13.579 7.476 1.00 0.00 N ATOM 539 CA ASN A 32 -13.174 -14.755 6.886 1.00 0.00 C ATOM 540 C ASN A 32 -12.921 -14.823 5.388 1.00 0.00 C ATOM 541 O ASN A 32 -13.706 -15.407 4.642 1.00 0.00 O ATOM 542 CB ASN A 32 -14.677 -14.744 7.163 1.00 0.00 C ATOM 543 CG ASN A 32 -15.271 -16.139 7.192 1.00 0.00 C ATOM 544 OD1 ASN A 32 -15.659 -16.683 6.159 1.00 0.00 O ATOM 545 ND2 ASN A 32 -15.344 -16.725 8.381 1.00 0.00 N ATOM 0 H ASN A 32 -13.126 -12.744 7.479 1.00 0.00 H new ATOM 0 HA ASN A 32 -12.733 -15.639 7.346 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -14.864 -14.253 8.118 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -15.180 -14.154 6.397 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -15.734 -17.664 8.464 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -15.010 -16.236 9.212 1.00 0.00 H new ATOM 552 N GLY A 33 -11.823 -14.219 4.952 1.00 0.00 N ATOM 553 CA GLY A 33 -11.491 -14.219 3.544 1.00 0.00 C ATOM 554 C GLY A 33 -12.633 -13.712 2.691 1.00 0.00 C ATOM 555 O GLY A 33 -12.905 -14.253 1.619 1.00 0.00 O ATOM 0 H GLY A 33 -11.157 -13.729 5.550 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.612 -13.596 3.379 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -11.228 -15.230 3.234 1.00 0.00 H new ATOM 559 N PHE A 34 -13.308 -12.672 3.168 1.00 0.00 N ATOM 560 CA PHE A 34 -14.431 -12.103 2.440 1.00 0.00 C ATOM 561 C PHE A 34 -14.424 -10.581 2.496 1.00 0.00 C ATOM 562 O PHE A 34 -14.410 -9.985 3.573 1.00 0.00 O ATOM 563 CB PHE A 34 -15.750 -12.638 2.998 1.00 0.00 C ATOM 564 CG PHE A 34 -16.565 -13.374 1.980 1.00 0.00 C ATOM 565 CD1 PHE A 34 -16.911 -12.766 0.785 1.00 0.00 C ATOM 566 CD2 PHE A 34 -16.977 -14.673 2.214 1.00 0.00 C ATOM 567 CE1 PHE A 34 -17.658 -13.444 -0.160 1.00 0.00 C ATOM 568 CE2 PHE A 34 -17.723 -15.358 1.273 1.00 0.00 C ATOM 569 CZ PHE A 34 -18.064 -14.742 0.084 1.00 0.00 C ATOM 0 H PHE A 34 -13.097 -12.209 4.052 1.00 0.00 H new ATOM 0 HA PHE A 34 -14.332 -12.402 1.396 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -15.540 -13.303 3.836 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -16.335 -11.806 3.390 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -16.594 -11.752 0.589 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -16.713 -15.158 3.142 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -17.924 -12.960 -1.088 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -18.039 -16.373 1.467 1.00 0.00 H new ATOM 0 HZ PHE A 34 -18.647 -15.274 -0.653 1.00 0.00 H new ATOM 579 N LEU A 35 -14.453 -9.960 1.323 1.00 0.00 N ATOM 580 CA LEU A 35 -14.471 -8.509 1.223 1.00 0.00 C ATOM 581 C LEU A 35 -15.867 -8.040 0.826 1.00 0.00 C ATOM 582 O LEU A 35 -16.358 -8.377 -0.252 1.00 0.00 O ATOM 583 CB LEU A 35 -13.429 -8.042 0.198 1.00 0.00 C ATOM 584 CG LEU A 35 -13.684 -6.670 -0.431 1.00 0.00 C ATOM 585 CD1 LEU A 35 -13.990 -5.631 0.640 1.00 0.00 C ATOM 586 CD2 LEU A 35 -12.488 -6.240 -1.270 1.00 0.00 C ATOM 0 H LEU A 35 -14.465 -10.443 0.425 1.00 0.00 H new ATOM 0 HA LEU A 35 -14.219 -8.075 2.191 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -12.453 -8.023 0.683 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -13.374 -8.782 -0.600 1.00 0.00 H new ATOM 0 HG LEU A 35 -14.554 -6.749 -1.083 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -14.168 -4.664 0.169 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -14.878 -5.932 1.196 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -13.144 -5.552 1.323 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -12.685 -5.263 -1.710 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -11.602 -6.181 -0.638 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -12.320 -6.968 -2.063 1.00 0.00 H new ATOM 598 N LEU A 36 -16.513 -7.279 1.703 1.00 0.00 N ATOM 599 CA LEU A 36 -17.863 -6.794 1.432 1.00 0.00 C ATOM 600 C LEU A 36 -17.891 -5.282 1.248 1.00 0.00 C ATOM 601 O LEU A 36 -17.130 -4.554 1.883 1.00 0.00 O ATOM 602 CB LEU A 36 -18.805 -7.191 2.569 1.00 0.00 C ATOM 603 CG LEU A 36 -18.514 -8.550 3.208 1.00 0.00 C ATOM 604 CD1 LEU A 36 -17.619 -8.386 4.425 1.00 0.00 C ATOM 605 CD2 LEU A 36 -19.811 -9.249 3.587 1.00 0.00 C ATOM 0 H LEU A 36 -16.128 -6.986 2.601 1.00 0.00 H new ATOM 0 HA LEU A 36 -18.197 -7.255 0.502 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -18.758 -6.425 3.343 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -19.826 -7.197 2.188 1.00 0.00 H new ATOM 0 HG LEU A 36 -17.991 -9.169 2.479 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -17.423 -9.363 4.867 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -16.677 -7.928 4.125 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -18.115 -7.750 5.158 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -19.585 -10.214 4.040 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -20.361 -8.634 4.299 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -20.417 -9.400 2.694 1.00 0.00 H new ATOM 617 N TYR A 37 -18.785 -4.818 0.380 1.00 0.00 N ATOM 618 CA TYR A 37 -18.928 -3.394 0.123 1.00 0.00 C ATOM 619 C TYR A 37 -20.374 -3.050 -0.239 1.00 0.00 C ATOM 620 O TYR A 37 -20.965 -3.650 -1.143 1.00 0.00 O ATOM 621 CB TYR A 37 -17.940 -2.939 -0.966 1.00 0.00 C ATOM 622 CG TYR A 37 -18.517 -2.826 -2.362 1.00 0.00 C ATOM 623 CD1 TYR A 37 -18.832 -3.960 -3.101 1.00 0.00 C ATOM 624 CD2 TYR A 37 -18.729 -1.584 -2.947 1.00 0.00 C ATOM 625 CE1 TYR A 37 -19.344 -3.858 -4.381 1.00 0.00 C ATOM 626 CE2 TYR A 37 -19.239 -1.473 -4.226 1.00 0.00 C ATOM 627 CZ TYR A 37 -19.544 -2.613 -4.939 1.00 0.00 C ATOM 628 OH TYR A 37 -20.052 -2.507 -6.213 1.00 0.00 O ATOM 0 H TYR A 37 -19.420 -5.410 -0.156 1.00 0.00 H new ATOM 0 HA TYR A 37 -18.684 -2.849 1.035 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -17.532 -1.969 -0.680 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -17.106 -3.640 -0.992 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -18.674 -4.937 -2.668 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -18.491 -0.689 -2.392 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -19.586 -4.749 -4.941 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -19.398 -0.499 -4.665 1.00 0.00 H new ATOM 0 HH TYR A 37 -20.133 -1.561 -6.455 1.00 0.00 H new ATOM 638 N HIS A 38 -20.934 -2.093 0.496 1.00 0.00 N ATOM 639 CA HIS A 38 -22.308 -1.661 0.288 1.00 0.00 C ATOM 640 C HIS A 38 -22.356 -0.187 -0.111 1.00 0.00 C ATOM 641 O HIS A 38 -21.390 0.550 0.087 1.00 0.00 O ATOM 642 CB HIS A 38 -23.131 -1.863 1.566 1.00 0.00 C ATOM 643 CG HIS A 38 -22.899 -3.174 2.260 1.00 0.00 C ATOM 644 ND1 HIS A 38 -21.643 -3.666 2.561 1.00 0.00 N ATOM 645 CD2 HIS A 38 -23.779 -4.096 2.724 1.00 0.00 C ATOM 646 CE1 HIS A 38 -21.763 -4.829 3.175 1.00 0.00 C ATOM 647 NE2 HIS A 38 -23.046 -5.110 3.287 1.00 0.00 N ATOM 0 H HIS A 38 -20.450 -1.600 1.247 1.00 0.00 H new ATOM 0 HA HIS A 38 -22.731 -2.264 -0.516 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -22.903 -1.054 2.260 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -24.189 -1.781 1.317 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -24.856 -4.042 2.662 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -20.948 -5.445 3.526 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -23.432 -5.948 3.723 1.00 0.00 H new ATOM 656 N PRO A 39 -23.488 0.264 -0.680 1.00 0.00 N ATOM 657 CA PRO A 39 -23.657 1.658 -1.104 1.00 0.00 C ATOM 658 C PRO A 39 -23.289 2.657 -0.008 1.00 0.00 C ATOM 659 O PRO A 39 -22.711 3.707 -0.286 1.00 0.00 O ATOM 660 CB PRO A 39 -25.148 1.749 -1.431 1.00 0.00 C ATOM 661 CG PRO A 39 -25.541 0.361 -1.798 1.00 0.00 C ATOM 662 CD PRO A 39 -24.687 -0.548 -0.957 1.00 0.00 C ATOM 0 HA PRO A 39 -23.004 1.908 -1.940 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -25.720 2.109 -0.576 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -25.332 2.442 -2.252 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -26.600 0.191 -1.604 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -25.378 0.177 -2.860 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -25.195 -0.839 -0.038 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -24.436 -1.467 -1.487 1.00 0.00 H new ATOM 670 N SER A 40 -23.631 2.328 1.236 1.00 0.00 N ATOM 671 CA SER A 40 -23.335 3.208 2.365 1.00 0.00 C ATOM 672 C SER A 40 -23.464 2.466 3.694 1.00 0.00 C ATOM 673 O SER A 40 -23.598 1.243 3.724 1.00 0.00 O ATOM 674 CB SER A 40 -24.270 4.419 2.352 1.00 0.00 C ATOM 675 OG SER A 40 -25.584 4.052 2.735 1.00 0.00 O ATOM 0 H SER A 40 -24.111 1.464 1.487 1.00 0.00 H new ATOM 0 HA SER A 40 -22.304 3.548 2.263 1.00 0.00 H new ATOM 0 HB2 SER A 40 -23.890 5.183 3.030 1.00 0.00 H new ATOM 0 HB3 SER A 40 -24.288 4.858 1.355 1.00 0.00 H new ATOM 0 HG SER A 40 -25.810 3.184 2.340 1.00 0.00 H new ATOM 681 N ILE A 41 -23.424 3.219 4.793 1.00 0.00 N ATOM 682 CA ILE A 41 -23.536 2.635 6.127 1.00 0.00 C ATOM 683 C ILE A 41 -24.929 2.052 6.352 1.00 0.00 C ATOM 684 O ILE A 41 -25.069 0.939 6.859 1.00 0.00 O ATOM 685 CB ILE A 41 -23.215 3.674 7.225 1.00 0.00 C ATOM 686 CG1 ILE A 41 -21.724 4.017 7.196 1.00 0.00 C ATOM 687 CG2 ILE A 41 -23.611 3.153 8.602 1.00 0.00 C ATOM 688 CD1 ILE A 41 -21.350 5.005 6.113 1.00 0.00 C ATOM 0 H ILE A 41 -23.315 4.233 4.785 1.00 0.00 H new ATOM 0 HA ILE A 41 -22.804 1.830 6.192 1.00 0.00 H new ATOM 0 HB ILE A 41 -23.794 4.576 7.027 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -21.435 4.426 8.164 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -21.152 3.100 7.053 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -23.375 3.903 9.357 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -24.681 2.946 8.619 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -23.061 2.237 8.816 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -20.278 5.200 6.153 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -21.607 4.591 5.138 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -21.895 5.937 6.266 1.00 0.00 H new ATOM 700 N ASN A 42 -25.958 2.799 5.957 1.00 0.00 N ATOM 701 CA ASN A 42 -27.335 2.334 6.104 1.00 0.00 C ATOM 702 C ASN A 42 -27.484 0.940 5.494 1.00 0.00 C ATOM 703 O ASN A 42 -28.344 0.156 5.889 1.00 0.00 O ATOM 704 CB ASN A 42 -28.299 3.308 5.422 1.00 0.00 C ATOM 705 CG ASN A 42 -28.168 4.720 5.958 1.00 0.00 C ATOM 706 OD1 ASN A 42 -27.400 5.527 5.437 1.00 0.00 O ATOM 707 ND2 ASN A 42 -28.921 5.025 7.009 1.00 0.00 N ATOM 0 H ASN A 42 -25.865 3.723 5.535 1.00 0.00 H new ATOM 0 HA ASN A 42 -27.577 2.286 7.166 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -28.110 3.311 4.349 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -29.323 2.962 5.564 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -28.875 5.960 7.415 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -29.545 4.325 7.410 1.00 0.00 H new ATOM 714 N ASP A 43 -26.628 0.638 4.525 1.00 0.00 N ATOM 715 CA ASP A 43 -26.652 -0.657 3.867 1.00 0.00 C ATOM 716 C ASP A 43 -26.018 -1.725 4.753 1.00 0.00 C ATOM 717 O ASP A 43 -26.529 -2.837 4.858 1.00 0.00 O ATOM 718 CB ASP A 43 -25.917 -0.574 2.530 1.00 0.00 C ATOM 719 CG ASP A 43 -26.555 0.425 1.584 1.00 0.00 C ATOM 720 OD1 ASP A 43 -27.492 0.037 0.854 1.00 0.00 O ATOM 721 OD2 ASP A 43 -26.119 1.594 1.573 1.00 0.00 O ATOM 0 H ASP A 43 -25.910 1.274 4.179 1.00 0.00 H new ATOM 0 HA ASP A 43 -27.690 -0.936 3.687 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -24.879 -0.293 2.706 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -25.906 -1.558 2.062 1.00 0.00 H new ATOM 726 N TYR A 44 -24.907 -1.376 5.395 1.00 0.00 N ATOM 727 CA TYR A 44 -24.209 -2.302 6.283 1.00 0.00 C ATOM 728 C TYR A 44 -25.047 -2.565 7.531 1.00 0.00 C ATOM 729 O TYR A 44 -25.291 -3.713 7.907 1.00 0.00 O ATOM 730 CB TYR A 44 -22.837 -1.730 6.664 1.00 0.00 C ATOM 731 CG TYR A 44 -22.405 -2.030 8.087 1.00 0.00 C ATOM 732 CD1 TYR A 44 -22.044 -3.317 8.467 1.00 0.00 C ATOM 733 CD2 TYR A 44 -22.357 -1.025 9.047 1.00 0.00 C ATOM 734 CE1 TYR A 44 -21.651 -3.595 9.762 1.00 0.00 C ATOM 735 CE2 TYR A 44 -21.964 -1.296 10.344 1.00 0.00 C ATOM 736 CZ TYR A 44 -21.612 -2.582 10.697 1.00 0.00 C ATOM 737 OH TYR A 44 -21.220 -2.854 11.987 1.00 0.00 O ATOM 0 H TYR A 44 -24.470 -0.458 5.317 1.00 0.00 H new ATOM 0 HA TYR A 44 -24.058 -3.248 5.763 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -22.088 -2.128 5.979 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -22.856 -0.649 6.523 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -22.071 -4.113 7.738 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -22.631 -0.017 8.775 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -21.376 -4.601 10.041 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -21.933 -0.504 11.078 1.00 0.00 H new ATOM 0 HH TYR A 44 -21.247 -2.031 12.518 1.00 0.00 H new ATOM 747 N ILE A 45 -25.480 -1.483 8.162 1.00 0.00 N ATOM 748 CA ILE A 45 -26.292 -1.552 9.368 1.00 0.00 C ATOM 749 C ILE A 45 -27.583 -2.325 9.122 1.00 0.00 C ATOM 750 O ILE A 45 -27.844 -3.355 9.743 1.00 0.00 O ATOM 751 CB ILE A 45 -26.640 -0.123 9.855 1.00 0.00 C ATOM 752 CG1 ILE A 45 -25.454 0.480 10.607 1.00 0.00 C ATOM 753 CG2 ILE A 45 -27.896 -0.106 10.725 1.00 0.00 C ATOM 754 CD1 ILE A 45 -25.592 1.966 10.851 1.00 0.00 C ATOM 0 H ILE A 45 -25.278 -0.532 7.852 1.00 0.00 H new ATOM 0 HA ILE A 45 -25.713 -2.074 10.130 1.00 0.00 H new ATOM 0 HB ILE A 45 -26.850 0.485 8.975 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -25.343 -0.029 11.564 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -24.542 0.295 10.040 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -28.103 0.915 11.045 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -28.741 -0.485 10.151 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -27.740 -0.736 11.601 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -24.716 2.329 11.389 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -25.673 2.486 9.896 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -26.487 2.156 11.444 1.00 0.00 H new ATOM 766 N HIS A 46 -28.391 -1.784 8.229 1.00 0.00 N ATOM 767 CA HIS A 46 -29.682 -2.358 7.885 1.00 0.00 C ATOM 768 C HIS A 46 -29.548 -3.618 7.032 1.00 0.00 C ATOM 769 O HIS A 46 -30.439 -4.468 7.026 1.00 0.00 O ATOM 770 CB HIS A 46 -30.518 -1.287 7.183 1.00 0.00 C ATOM 771 CG HIS A 46 -30.502 0.015 7.931 1.00 0.00 C ATOM 772 ND1 HIS A 46 -29.500 0.907 8.134 1.00 0.00 N flip ATOM 773 CD2 HIS A 46 -31.586 0.506 8.626 1.00 0.00 C flip ATOM 774 CE1 HIS A 46 -29.989 1.900 8.936 1.00 0.00 C flip ATOM 775 NE2 HIS A 46 -31.245 1.637 9.221 1.00 0.00 N flip ATOM 0 H HIS A 46 -28.170 -0.929 7.718 1.00 0.00 H new ATOM 0 HA HIS A 46 -30.184 -2.674 8.799 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -30.135 -1.131 6.174 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -31.546 -1.636 7.084 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -32.559 0.041 8.677 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -29.434 2.760 9.280 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -31.855 2.210 9.804 1.00 0.00 H new ATOM 784 N SER A 47 -28.430 -3.741 6.322 1.00 0.00 N ATOM 785 CA SER A 47 -28.176 -4.907 5.473 1.00 0.00 C ATOM 786 C SER A 47 -28.974 -4.829 4.176 1.00 0.00 C ATOM 787 O SER A 47 -29.954 -5.551 3.989 1.00 0.00 O ATOM 788 CB SER A 47 -28.513 -6.202 6.218 1.00 0.00 C ATOM 789 OG SER A 47 -27.629 -7.247 5.851 1.00 0.00 O ATOM 0 H SER A 47 -27.682 -3.047 6.316 1.00 0.00 H new ATOM 0 HA SER A 47 -27.115 -4.909 5.224 1.00 0.00 H new ATOM 0 HB2 SER A 47 -28.454 -6.032 7.293 1.00 0.00 H new ATOM 0 HB3 SER A 47 -29.539 -6.495 5.997 1.00 0.00 H new ATOM 0 HG SER A 47 -27.864 -8.062 6.342 1.00 0.00 H new ATOM 795 N THR A 48 -28.537 -3.954 3.279 1.00 0.00 N ATOM 796 CA THR A 48 -29.190 -3.781 1.988 1.00 0.00 C ATOM 797 C THR A 48 -28.160 -3.448 0.922 1.00 0.00 C ATOM 798 O THR A 48 -27.474 -2.432 1.005 1.00 0.00 O ATOM 799 CB THR A 48 -30.244 -2.675 2.064 1.00 0.00 C ATOM 800 OG1 THR A 48 -29.637 -1.417 2.299 1.00 0.00 O ATOM 801 CG2 THR A 48 -31.267 -2.903 3.153 1.00 0.00 C ATOM 0 H THR A 48 -27.728 -3.350 3.424 1.00 0.00 H new ATOM 0 HA THR A 48 -29.686 -4.715 1.723 1.00 0.00 H new ATOM 0 HB THR A 48 -30.752 -2.691 1.100 1.00 0.00 H new ATOM 0 HG1 THR A 48 -28.785 -1.370 1.817 1.00 0.00 H new ATOM 0 HG21 THR A 48 -31.986 -2.084 3.154 1.00 0.00 H new ATOM 0 HG22 THR A 48 -31.788 -3.843 2.971 1.00 0.00 H new ATOM 0 HG23 THR A 48 -30.766 -2.947 4.120 1.00 0.00 H new ATOM 809 N HIS A 49 -28.042 -4.318 -0.072 1.00 0.00 N ATOM 810 CA HIS A 49 -27.072 -4.118 -1.141 1.00 0.00 C ATOM 811 C HIS A 49 -25.657 -4.174 -0.573 1.00 0.00 C ATOM 812 O HIS A 49 -25.089 -3.153 -0.188 1.00 0.00 O ATOM 813 CB HIS A 49 -27.307 -2.777 -1.841 1.00 0.00 C ATOM 814 CG HIS A 49 -28.157 -2.884 -3.069 1.00 0.00 C ATOM 815 ND1 HIS A 49 -29.522 -2.691 -3.060 1.00 0.00 N ATOM 816 CD2 HIS A 49 -27.829 -3.166 -4.353 1.00 0.00 C ATOM 817 CE1 HIS A 49 -29.997 -2.849 -4.282 1.00 0.00 C ATOM 818 NE2 HIS A 49 -28.989 -3.138 -5.086 1.00 0.00 N ATOM 0 H HIS A 49 -28.603 -5.165 -0.161 1.00 0.00 H new ATOM 0 HA HIS A 49 -27.195 -4.914 -1.876 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -27.780 -2.089 -1.141 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -26.344 -2.344 -2.112 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -26.838 -3.374 -4.730 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -31.033 -2.758 -4.574 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -29.061 -3.312 -6.088 1.00 0.00 H new ATOM 827 N GLY A 50 -25.103 -5.379 -0.519 1.00 0.00 N ATOM 828 CA GLY A 50 -23.768 -5.569 0.008 1.00 0.00 C ATOM 829 C GLY A 50 -23.016 -6.635 -0.751 1.00 0.00 C ATOM 830 O GLY A 50 -23.085 -7.818 -0.416 1.00 0.00 O ATOM 0 H GLY A 50 -25.561 -6.234 -0.834 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -23.219 -4.629 -0.044 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -23.828 -5.845 1.061 1.00 0.00 H new ATOM 834 N LYS A 51 -22.309 -6.215 -1.786 1.00 0.00 N ATOM 835 CA LYS A 51 -21.549 -7.141 -2.615 1.00 0.00 C ATOM 836 C LYS A 51 -20.368 -7.725 -1.848 1.00 0.00 C ATOM 837 O LYS A 51 -19.748 -7.046 -1.031 1.00 0.00 O ATOM 838 CB LYS A 51 -21.055 -6.434 -3.880 1.00 0.00 C ATOM 839 CG LYS A 51 -21.722 -6.930 -5.153 1.00 0.00 C ATOM 840 CD LYS A 51 -20.738 -6.995 -6.311 1.00 0.00 C ATOM 841 CE LYS A 51 -20.913 -5.818 -7.257 1.00 0.00 C ATOM 842 NZ LYS A 51 -21.775 -6.166 -8.421 1.00 0.00 N ATOM 0 H LYS A 51 -22.244 -5.239 -2.074 1.00 0.00 H new ATOM 0 HA LYS A 51 -22.210 -7.961 -2.897 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -21.232 -5.363 -3.780 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -19.977 -6.572 -3.966 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -22.148 -7.919 -4.980 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -22.548 -6.268 -5.413 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -19.719 -7.004 -5.924 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -20.879 -7.927 -6.858 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -21.353 -4.980 -6.717 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -19.937 -5.490 -7.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -21.870 -5.338 -9.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -21.342 -6.949 -8.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -22.715 -6.455 -8.083 1.00 0.00 H new ATOM 856 N GLU A 52 -20.065 -8.992 -2.121 1.00 0.00 N ATOM 857 CA GLU A 52 -18.959 -9.679 -1.466 1.00 0.00 C ATOM 858 C GLU A 52 -18.045 -10.321 -2.502 1.00 0.00 C ATOM 859 O GLU A 52 -18.507 -10.980 -3.433 1.00 0.00 O ATOM 860 CB GLU A 52 -19.487 -10.742 -0.502 1.00 0.00 C ATOM 861 CG GLU A 52 -20.552 -10.224 0.450 1.00 0.00 C ATOM 862 CD GLU A 52 -21.198 -11.330 1.262 1.00 0.00 C ATOM 863 OE1 GLU A 52 -20.611 -12.429 1.339 1.00 0.00 O ATOM 864 OE2 GLU A 52 -22.291 -11.095 1.820 1.00 0.00 O ATOM 0 H GLU A 52 -20.574 -9.564 -2.795 1.00 0.00 H new ATOM 0 HA GLU A 52 -18.386 -8.946 -0.899 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -19.898 -11.571 -1.078 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -18.655 -11.140 0.079 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -20.106 -9.495 1.127 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -21.320 -9.701 -0.120 1.00 0.00 H new ATOM 871 N MET A 53 -16.746 -10.117 -2.331 1.00 0.00 N ATOM 872 CA MET A 53 -15.757 -10.665 -3.245 1.00 0.00 C ATOM 873 C MET A 53 -14.851 -11.657 -2.523 1.00 0.00 C ATOM 874 O MET A 53 -14.206 -11.315 -1.530 1.00 0.00 O ATOM 875 CB MET A 53 -14.935 -9.527 -3.862 1.00 0.00 C ATOM 876 CG MET A 53 -13.563 -9.948 -4.368 1.00 0.00 C ATOM 877 SD MET A 53 -13.080 -9.112 -5.889 1.00 0.00 S ATOM 878 CE MET A 53 -13.870 -7.528 -5.660 1.00 0.00 C ATOM 0 H MET A 53 -16.353 -9.573 -1.563 1.00 0.00 H new ATOM 0 HA MET A 53 -16.271 -11.200 -4.044 1.00 0.00 H new ATOM 0 HB2 MET A 53 -15.498 -9.095 -4.690 1.00 0.00 H new ATOM 0 HB3 MET A 53 -14.809 -8.741 -3.118 1.00 0.00 H new ATOM 0 HG2 MET A 53 -12.820 -9.743 -3.597 1.00 0.00 H new ATOM 0 HG3 MET A 53 -13.560 -11.025 -4.536 1.00 0.00 H new ATOM 0 HE1 MET A 53 -13.364 -6.778 -6.268 1.00 0.00 H new ATOM 0 HE2 MET A 53 -14.915 -7.595 -5.963 1.00 0.00 H new ATOM 0 HE3 MET A 53 -13.814 -7.242 -4.610 1.00 0.00 H new ATOM 888 N ASP A 54 -14.808 -12.888 -3.025 1.00 0.00 N ATOM 889 CA ASP A 54 -13.978 -13.929 -2.426 1.00 0.00 C ATOM 890 C ASP A 54 -12.522 -13.484 -2.360 1.00 0.00 C ATOM 891 O ASP A 54 -11.971 -12.979 -3.339 1.00 0.00 O ATOM 892 CB ASP A 54 -14.094 -15.228 -3.226 1.00 0.00 C ATOM 893 CG ASP A 54 -14.099 -16.455 -2.336 1.00 0.00 C ATOM 894 OD1 ASP A 54 -14.958 -16.528 -1.432 1.00 0.00 O ATOM 895 OD2 ASP A 54 -13.245 -17.342 -2.544 1.00 0.00 O ATOM 0 H ASP A 54 -15.337 -13.189 -3.844 1.00 0.00 H new ATOM 0 HA ASP A 54 -14.333 -14.107 -1.411 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -15.010 -15.207 -3.817 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -13.263 -15.295 -3.928 1.00 0.00 H new ATOM 900 N LEU A 55 -11.905 -13.666 -1.198 1.00 0.00 N ATOM 901 CA LEU A 55 -10.515 -13.274 -1.005 1.00 0.00 C ATOM 902 C LEU A 55 -9.570 -14.455 -1.214 1.00 0.00 C ATOM 903 O LEU A 55 -8.463 -14.474 -0.680 1.00 0.00 O ATOM 904 CB LEU A 55 -10.320 -12.696 0.396 1.00 0.00 C ATOM 905 CG LEU A 55 -10.576 -11.192 0.518 1.00 0.00 C ATOM 906 CD1 LEU A 55 -10.604 -10.773 1.980 1.00 0.00 C ATOM 907 CD2 LEU A 55 -9.517 -10.409 -0.243 1.00 0.00 C ATOM 0 H LEU A 55 -12.345 -14.082 -0.377 1.00 0.00 H new ATOM 0 HA LEU A 55 -10.277 -12.512 -1.748 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -10.984 -13.219 1.084 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.300 -12.903 0.719 1.00 0.00 H new ATOM 0 HG LEU A 55 -11.549 -10.970 0.079 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -10.787 -9.701 2.048 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -11.399 -11.310 2.497 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -9.646 -11.008 2.444 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -9.714 -9.341 -0.146 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.533 -10.635 0.167 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.544 -10.689 -1.296 1.00 0.00 H new ATOM 919 N LEU A 56 -10.013 -15.440 -1.989 1.00 0.00 N ATOM 920 CA LEU A 56 -9.199 -16.619 -2.259 1.00 0.00 C ATOM 921 C LEU A 56 -8.216 -16.363 -3.397 1.00 0.00 C ATOM 922 O LEU A 56 -7.002 -16.436 -3.208 1.00 0.00 O ATOM 923 CB LEU A 56 -10.094 -17.813 -2.602 1.00 0.00 C ATOM 924 CG LEU A 56 -9.464 -19.186 -2.355 1.00 0.00 C ATOM 925 CD1 LEU A 56 -10.497 -20.159 -1.808 1.00 0.00 C ATOM 926 CD2 LEU A 56 -8.846 -19.724 -3.636 1.00 0.00 C ATOM 0 H LEU A 56 -10.928 -15.445 -2.440 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.627 -16.845 -1.359 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -11.011 -17.740 -2.017 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -10.379 -17.744 -3.652 1.00 0.00 H new ATOM 0 HG LEU A 56 -8.674 -19.075 -1.612 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -10.030 -21.129 -1.639 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -10.893 -19.778 -0.867 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -11.310 -20.268 -2.526 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.402 -20.701 -3.444 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -9.618 -19.820 -4.400 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -8.074 -19.037 -3.984 1.00 0.00 H new ATOM 938 N ARG A 57 -8.748 -16.067 -4.578 1.00 0.00 N ATOM 939 CA ARG A 57 -7.914 -15.807 -5.747 1.00 0.00 C ATOM 940 C ARG A 57 -8.111 -14.384 -6.259 1.00 0.00 C ATOM 941 O ARG A 57 -8.222 -14.157 -7.464 1.00 0.00 O ATOM 942 CB ARG A 57 -8.234 -16.811 -6.857 1.00 0.00 C ATOM 943 CG ARG A 57 -7.052 -17.120 -7.759 1.00 0.00 C ATOM 944 CD ARG A 57 -7.259 -18.418 -8.523 1.00 0.00 C ATOM 945 NE ARG A 57 -6.717 -19.569 -7.807 1.00 0.00 N ATOM 946 CZ ARG A 57 -7.040 -20.833 -8.079 1.00 0.00 C ATOM 947 NH1 ARG A 57 -7.901 -21.110 -9.050 1.00 0.00 N ATOM 948 NH2 ARG A 57 -6.499 -21.820 -7.379 1.00 0.00 N ATOM 0 H ARG A 57 -9.751 -16.001 -4.752 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.872 -15.920 -5.449 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.588 -17.738 -6.406 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.051 -16.420 -7.464 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.907 -16.301 -8.463 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -6.144 -17.190 -7.160 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.324 -18.569 -8.698 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -6.783 -18.343 -9.501 1.00 0.00 H new ATOM 0 HE ARG A 57 -6.052 -19.395 -7.054 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -8.319 -20.354 -9.592 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -8.145 -22.079 -9.254 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -5.836 -21.612 -6.632 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -6.746 -22.788 -7.587 1.00 0.00 H new ATOM 962 N THR A 58 -8.150 -13.426 -5.338 1.00 0.00 N ATOM 963 CA THR A 58 -8.330 -12.026 -5.705 1.00 0.00 C ATOM 964 C THR A 58 -6.984 -11.320 -5.825 1.00 0.00 C ATOM 965 O THR A 58 -5.970 -11.799 -5.316 1.00 0.00 O ATOM 966 CB THR A 58 -9.200 -11.308 -4.673 1.00 0.00 C ATOM 967 OG1 THR A 58 -9.156 -11.978 -3.431 1.00 0.00 O ATOM 968 CG2 THR A 58 -10.653 -11.197 -5.080 1.00 0.00 C ATOM 0 H THR A 58 -8.060 -13.593 -4.336 1.00 0.00 H new ATOM 0 HA THR A 58 -8.829 -11.995 -6.673 1.00 0.00 H new ATOM 0 HB THR A 58 -8.784 -10.303 -4.599 1.00 0.00 H new ATOM 0 HG1 THR A 58 -9.659 -12.817 -3.494 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.210 -10.677 -4.301 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.728 -10.639 -6.014 1.00 0.00 H new ATOM 0 HG23 THR A 58 -11.069 -12.195 -5.219 1.00 0.00 H new ATOM 976 N THR A 59 -6.985 -10.175 -6.498 1.00 0.00 N ATOM 977 CA THR A 59 -5.771 -9.396 -6.687 1.00 0.00 C ATOM 978 C THR A 59 -6.014 -7.931 -6.343 1.00 0.00 C ATOM 979 O THR A 59 -7.148 -7.456 -6.386 1.00 0.00 O ATOM 980 CB THR A 59 -5.282 -9.520 -8.132 1.00 0.00 C ATOM 981 OG1 THR A 59 -6.319 -9.995 -8.974 1.00 0.00 O ATOM 982 CG2 THR A 59 -4.102 -10.452 -8.288 1.00 0.00 C ATOM 0 H THR A 59 -7.817 -9.766 -6.923 1.00 0.00 H new ATOM 0 HA THR A 59 -5.005 -9.788 -6.018 1.00 0.00 H new ATOM 0 HB THR A 59 -4.970 -8.515 -8.417 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.987 -10.066 -9.893 1.00 0.00 H new ATOM 0 HG21 THR A 59 -3.807 -10.493 -9.337 1.00 0.00 H new ATOM 0 HG22 THR A 59 -3.267 -10.085 -7.690 1.00 0.00 H new ATOM 0 HG23 THR A 59 -4.380 -11.450 -7.950 1.00 0.00 H new ATOM 990 N VAL A 60 -4.946 -7.219 -6.009 1.00 0.00 N ATOM 991 CA VAL A 60 -5.051 -5.806 -5.667 1.00 0.00 C ATOM 992 C VAL A 60 -4.318 -4.949 -6.693 1.00 0.00 C ATOM 993 O VAL A 60 -3.097 -5.036 -6.830 1.00 0.00 O ATOM 994 CB VAL A 60 -4.486 -5.519 -4.262 1.00 0.00 C ATOM 995 CG1 VAL A 60 -5.414 -6.068 -3.191 1.00 0.00 C ATOM 996 CG2 VAL A 60 -3.086 -6.099 -4.117 1.00 0.00 C ATOM 0 H VAL A 60 -3.999 -7.595 -5.967 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.111 -5.551 -5.672 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.419 -4.439 -4.132 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.998 -5.856 -2.206 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -6.393 -5.597 -3.281 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.517 -7.146 -3.317 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.705 -5.885 -3.118 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.122 -7.178 -4.269 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.427 -5.650 -4.860 1.00 0.00 H new ATOM 1407 N PHE A 90 -4.855 8.353 -3.367 1.00 0.00 N ATOM 1408 CA PHE A 90 -4.695 6.953 -2.990 1.00 0.00 C ATOM 1409 C PHE A 90 -5.927 6.130 -3.361 1.00 0.00 C ATOM 1410 O PHE A 90 -6.957 6.199 -2.690 1.00 0.00 O ATOM 1411 CB PHE A 90 -4.417 6.844 -1.487 1.00 0.00 C ATOM 1412 CG PHE A 90 -3.168 7.564 -1.053 1.00 0.00 C ATOM 1413 CD1 PHE A 90 -3.056 8.939 -1.197 1.00 0.00 C ATOM 1414 CD2 PHE A 90 -2.105 6.865 -0.507 1.00 0.00 C ATOM 1415 CE1 PHE A 90 -1.909 9.599 -0.800 1.00 0.00 C ATOM 1416 CE2 PHE A 90 -0.955 7.521 -0.109 1.00 0.00 C ATOM 1417 CZ PHE A 90 -0.858 8.890 -0.258 1.00 0.00 C ATOM 0 HA PHE A 90 -3.847 6.549 -3.543 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -5.268 7.247 -0.938 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -4.333 5.791 -1.217 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -3.874 9.500 -1.624 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -2.175 5.794 -0.391 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -1.836 10.670 -0.914 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -0.134 6.964 0.318 1.00 0.00 H new ATOM 0 HZ PHE A 90 0.040 9.405 0.050 1.00 0.00 H new ATOM 1427 N GLU A 91 -5.809 5.350 -4.434 1.00 0.00 N ATOM 1428 CA GLU A 91 -6.910 4.507 -4.901 1.00 0.00 C ATOM 1429 C GLU A 91 -6.415 3.093 -5.206 1.00 0.00 C ATOM 1430 O GLU A 91 -5.424 2.915 -5.914 1.00 0.00 O ATOM 1431 CB GLU A 91 -7.560 5.112 -6.151 1.00 0.00 C ATOM 1432 CG GLU A 91 -7.668 6.631 -6.131 1.00 0.00 C ATOM 1433 CD GLU A 91 -7.339 7.258 -7.473 1.00 0.00 C ATOM 1434 OE1 GLU A 91 -7.218 6.510 -8.466 1.00 0.00 O ATOM 1435 OE2 GLU A 91 -7.205 8.498 -7.531 1.00 0.00 O ATOM 0 H GLU A 91 -4.961 5.284 -4.997 1.00 0.00 H new ATOM 0 HA GLU A 91 -7.655 4.455 -4.107 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -6.984 4.812 -7.026 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -8.558 4.690 -6.267 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -8.679 6.916 -5.839 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -6.994 7.029 -5.373 1.00 0.00 H new ATOM 1442 N PHE A 92 -7.109 2.089 -4.669 1.00 0.00 N ATOM 1443 CA PHE A 92 -6.731 0.693 -4.892 1.00 0.00 C ATOM 1444 C PHE A 92 -7.898 -0.103 -5.477 1.00 0.00 C ATOM 1445 O PHE A 92 -9.061 0.244 -5.272 1.00 0.00 O ATOM 1446 CB PHE A 92 -6.244 0.052 -3.588 1.00 0.00 C ATOM 1447 CG PHE A 92 -7.327 -0.189 -2.572 1.00 0.00 C ATOM 1448 CD1 PHE A 92 -8.213 -1.243 -2.722 1.00 0.00 C ATOM 1449 CD2 PHE A 92 -7.451 0.634 -1.463 1.00 0.00 C ATOM 1450 CE1 PHE A 92 -9.205 -1.471 -1.786 1.00 0.00 C ATOM 1451 CE2 PHE A 92 -8.440 0.411 -0.524 1.00 0.00 C ATOM 1452 CZ PHE A 92 -9.319 -0.644 -0.686 1.00 0.00 C ATOM 0 H PHE A 92 -7.932 2.215 -4.079 1.00 0.00 H new ATOM 0 HA PHE A 92 -5.914 0.675 -5.613 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -5.764 -0.898 -3.822 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -5.483 0.693 -3.144 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -8.128 -1.894 -3.580 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -6.767 1.459 -1.332 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -9.890 -2.296 -1.915 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -8.526 1.060 0.335 1.00 0.00 H new ATOM 0 HZ PHE A 92 -10.093 -0.821 0.046 1.00 0.00 H new ATOM 1462 N LEU A 93 -7.580 -1.162 -6.218 1.00 0.00 N ATOM 1463 CA LEU A 93 -8.605 -1.995 -6.845 1.00 0.00 C ATOM 1464 C LEU A 93 -8.598 -3.418 -6.290 1.00 0.00 C ATOM 1465 O LEU A 93 -7.604 -3.875 -5.726 1.00 0.00 O ATOM 1466 CB LEU A 93 -8.398 -2.035 -8.360 1.00 0.00 C ATOM 1467 CG LEU A 93 -8.728 -0.734 -9.096 1.00 0.00 C ATOM 1468 CD1 LEU A 93 -7.461 -0.081 -9.627 1.00 0.00 C ATOM 1469 CD2 LEU A 93 -9.710 -0.994 -10.230 1.00 0.00 C ATOM 0 H LEU A 93 -6.623 -1.464 -6.399 1.00 0.00 H new ATOM 0 HA LEU A 93 -9.573 -1.548 -6.617 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.359 -2.295 -8.562 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -9.013 -2.834 -8.774 1.00 0.00 H new ATOM 0 HG LEU A 93 -9.195 -0.050 -8.387 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -7.718 0.842 -10.147 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -6.792 0.144 -8.796 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -6.964 -0.761 -10.319 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -9.932 -0.057 -10.741 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -9.271 -1.698 -10.937 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -10.631 -1.413 -9.825 1.00 0.00 H new ATOM 1481 N ILE A 94 -9.721 -4.111 -6.468 1.00 0.00 N ATOM 1482 CA ILE A 94 -9.871 -5.487 -6.002 1.00 0.00 C ATOM 1483 C ILE A 94 -10.411 -6.370 -7.124 1.00 0.00 C ATOM 1484 O ILE A 94 -11.574 -6.260 -7.499 1.00 0.00 O ATOM 1485 CB ILE A 94 -10.837 -5.562 -4.800 1.00 0.00 C ATOM 1486 CG1 ILE A 94 -10.562 -4.423 -3.814 1.00 0.00 C ATOM 1487 CG2 ILE A 94 -10.730 -6.909 -4.102 1.00 0.00 C ATOM 1488 CD1 ILE A 94 -9.199 -4.503 -3.159 1.00 0.00 C ATOM 0 H ILE A 94 -10.547 -3.737 -6.936 1.00 0.00 H new ATOM 0 HA ILE A 94 -8.887 -5.841 -5.693 1.00 0.00 H new ATOM 0 HB ILE A 94 -11.854 -5.454 -5.177 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -10.648 -3.471 -4.338 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -11.329 -4.431 -3.040 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -11.420 -6.938 -3.259 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -10.982 -7.704 -4.804 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -9.711 -7.052 -3.742 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -9.075 -3.664 -2.474 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -9.115 -5.439 -2.606 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -8.424 -4.464 -3.925 1.00 0.00 H new ATOM 1500 N VAL A 95 -9.567 -7.243 -7.665 1.00 0.00 N ATOM 1501 CA VAL A 95 -9.985 -8.125 -8.752 1.00 0.00 C ATOM 1502 C VAL A 95 -10.268 -9.537 -8.257 1.00 0.00 C ATOM 1503 O VAL A 95 -9.474 -10.116 -7.517 1.00 0.00 O ATOM 1504 CB VAL A 95 -8.925 -8.191 -9.870 1.00 0.00 C ATOM 1505 CG1 VAL A 95 -9.384 -9.104 -11.002 1.00 0.00 C ATOM 1506 CG2 VAL A 95 -8.617 -6.797 -10.396 1.00 0.00 C ATOM 0 H VAL A 95 -8.597 -7.359 -7.372 1.00 0.00 H new ATOM 0 HA VAL A 95 -10.904 -7.698 -9.153 1.00 0.00 H new ATOM 0 HB VAL A 95 -8.011 -8.610 -9.448 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -8.619 -9.134 -11.778 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -9.547 -10.110 -10.615 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -10.314 -8.722 -11.423 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -7.867 -6.863 -11.184 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -9.527 -6.350 -10.797 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -8.236 -6.178 -9.584 1.00 0.00 H new ATOM 1516 N SER A 96 -11.398 -10.090 -8.685 1.00 0.00 N ATOM 1517 CA SER A 96 -11.784 -11.441 -8.300 1.00 0.00 C ATOM 1518 C SER A 96 -11.431 -12.433 -9.404 1.00 0.00 C ATOM 1519 O SER A 96 -10.797 -12.071 -10.394 1.00 0.00 O ATOM 1520 CB SER A 96 -13.284 -11.505 -7.997 1.00 0.00 C ATOM 1521 OG SER A 96 -13.960 -10.373 -8.514 1.00 0.00 O ATOM 0 H SER A 96 -12.063 -9.621 -9.300 1.00 0.00 H new ATOM 0 HA SER A 96 -11.233 -11.709 -7.399 1.00 0.00 H new ATOM 0 HB2 SER A 96 -13.706 -12.412 -8.429 1.00 0.00 H new ATOM 0 HB3 SER A 96 -13.438 -11.563 -6.919 1.00 0.00 H new ATOM 0 HG SER A 96 -13.902 -9.635 -7.871 1.00 0.00 H new ATOM 1527 N SER A 97 -11.841 -13.682 -9.226 1.00 0.00 N ATOM 1528 CA SER A 97 -11.561 -14.719 -10.210 1.00 0.00 C ATOM 1529 C SER A 97 -12.609 -14.737 -11.319 1.00 0.00 C ATOM 1530 O SER A 97 -12.495 -15.504 -12.275 1.00 0.00 O ATOM 1531 CB SER A 97 -11.491 -16.090 -9.534 1.00 0.00 C ATOM 1532 OG SER A 97 -11.227 -17.112 -10.478 1.00 0.00 O ATOM 0 H SER A 97 -12.367 -14.001 -8.412 1.00 0.00 H new ATOM 0 HA SER A 97 -10.596 -14.492 -10.662 1.00 0.00 H new ATOM 0 HB2 SER A 97 -10.711 -16.084 -8.773 1.00 0.00 H new ATOM 0 HB3 SER A 97 -12.432 -16.296 -9.024 1.00 0.00 H new ATOM 0 HG SER A 97 -11.514 -16.818 -11.368 1.00 0.00 H new ATOM 1538 N THR A 98 -13.629 -13.891 -11.196 1.00 0.00 N ATOM 1539 CA THR A 98 -14.679 -13.824 -12.203 1.00 0.00 C ATOM 1540 C THR A 98 -14.613 -12.514 -12.977 1.00 0.00 C ATOM 1541 O THR A 98 -15.597 -12.090 -13.586 1.00 0.00 O ATOM 1542 CB THR A 98 -16.054 -13.986 -11.557 1.00 0.00 C ATOM 1543 OG1 THR A 98 -17.076 -13.966 -12.538 1.00 0.00 O ATOM 1544 CG2 THR A 98 -16.371 -12.909 -10.543 1.00 0.00 C ATOM 0 H THR A 98 -13.749 -13.247 -10.414 1.00 0.00 H new ATOM 0 HA THR A 98 -14.522 -14.643 -12.904 1.00 0.00 H new ATOM 0 HB THR A 98 -16.018 -14.947 -11.043 1.00 0.00 H new ATOM 0 HG1 THR A 98 -16.925 -13.217 -13.152 1.00 0.00 H new ATOM 0 HG21 THR A 98 -17.362 -13.085 -10.123 1.00 0.00 H new ATOM 0 HG22 THR A 98 -15.629 -12.931 -9.744 1.00 0.00 H new ATOM 0 HG23 THR A 98 -16.351 -11.934 -11.030 1.00 0.00 H new ATOM 1552 N GLY A 99 -13.446 -11.886 -12.957 1.00 0.00 N ATOM 1553 CA GLY A 99 -13.263 -10.632 -13.669 1.00 0.00 C ATOM 1554 C GLY A 99 -13.768 -9.422 -12.901 1.00 0.00 C ATOM 1555 O GLY A 99 -13.365 -8.294 -13.185 1.00 0.00 O ATOM 0 H GLY A 99 -12.620 -12.221 -12.461 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -12.204 -10.498 -13.887 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -13.781 -10.687 -14.626 1.00 0.00 H new ATOM 1559 N GLN A 100 -14.647 -9.648 -11.926 1.00 0.00 N ATOM 1560 CA GLN A 100 -15.196 -8.555 -11.128 1.00 0.00 C ATOM 1561 C GLN A 100 -14.078 -7.744 -10.482 1.00 0.00 C ATOM 1562 O GLN A 100 -13.210 -8.296 -9.807 1.00 0.00 O ATOM 1563 CB GLN A 100 -16.137 -9.104 -10.051 1.00 0.00 C ATOM 1564 CG GLN A 100 -17.553 -8.558 -10.146 1.00 0.00 C ATOM 1565 CD GLN A 100 -18.565 -9.623 -10.521 1.00 0.00 C ATOM 1566 OE1 GLN A 100 -19.388 -9.427 -11.416 1.00 0.00 O ATOM 1567 NE2 GLN A 100 -18.510 -10.759 -9.835 1.00 0.00 N ATOM 0 H GLN A 100 -14.992 -10.573 -11.671 1.00 0.00 H new ATOM 0 HA GLN A 100 -15.761 -7.899 -11.790 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -16.169 -10.191 -10.128 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -15.730 -8.866 -9.068 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -17.833 -8.117 -9.190 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -17.581 -7.759 -10.886 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -17.811 -10.878 -9.101 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -19.166 -11.512 -10.042 1.00 0.00 H new ATOM 1576 N THR A 101 -14.101 -6.432 -10.696 1.00 0.00 N ATOM 1577 CA THR A 101 -13.081 -5.557 -10.136 1.00 0.00 C ATOM 1578 C THR A 101 -13.702 -4.418 -9.331 1.00 0.00 C ATOM 1579 O THR A 101 -14.379 -3.551 -9.883 1.00 0.00 O ATOM 1580 CB THR A 101 -12.204 -4.985 -11.250 1.00 0.00 C ATOM 1581 OG1 THR A 101 -12.030 -5.933 -12.288 1.00 0.00 O ATOM 1582 CG2 THR A 101 -10.829 -4.568 -10.774 1.00 0.00 C ATOM 0 H THR A 101 -14.812 -5.955 -11.251 1.00 0.00 H new ATOM 0 HA THR A 101 -12.467 -6.154 -9.462 1.00 0.00 H new ATOM 0 HB THR A 101 -12.731 -4.100 -11.607 1.00 0.00 H new ATOM 0 HG1 THR A 101 -11.468 -5.548 -12.992 1.00 0.00 H new ATOM 0 HG21 THR A 101 -10.258 -4.171 -11.613 1.00 0.00 H new ATOM 0 HG22 THR A 101 -10.927 -3.800 -10.006 1.00 0.00 H new ATOM 0 HG23 THR A 101 -10.310 -5.432 -10.359 1.00 0.00 H new ATOM 1590 N TRP A 102 -13.449 -4.421 -8.028 1.00 0.00 N ATOM 1591 CA TRP A 102 -13.959 -3.385 -7.141 1.00 0.00 C ATOM 1592 C TRP A 102 -12.929 -2.277 -6.982 1.00 0.00 C ATOM 1593 O TRP A 102 -11.934 -2.449 -6.277 1.00 0.00 O ATOM 1594 CB TRP A 102 -14.264 -3.956 -5.761 1.00 0.00 C ATOM 1595 CG TRP A 102 -15.331 -5.002 -5.732 1.00 0.00 C ATOM 1596 CD1 TRP A 102 -15.961 -5.587 -6.793 1.00 0.00 C ATOM 1597 CD2 TRP A 102 -15.889 -5.592 -4.558 1.00 0.00 C ATOM 1598 NE1 TRP A 102 -16.875 -6.513 -6.341 1.00 0.00 N ATOM 1599 CE2 TRP A 102 -16.853 -6.528 -4.970 1.00 0.00 C ATOM 1600 CE3 TRP A 102 -15.662 -5.415 -3.193 1.00 0.00 C ATOM 1601 CZ2 TRP A 102 -17.589 -7.283 -4.059 1.00 0.00 C ATOM 1602 CZ3 TRP A 102 -16.397 -6.167 -2.298 1.00 0.00 C ATOM 1603 CH2 TRP A 102 -17.342 -7.084 -2.734 1.00 0.00 C ATOM 0 H TRP A 102 -12.890 -5.135 -7.561 1.00 0.00 H new ATOM 0 HA TRP A 102 -14.873 -2.990 -7.584 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -13.348 -4.381 -5.350 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -14.560 -3.139 -5.103 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -15.771 -5.358 -7.831 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -17.472 -7.094 -6.931 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -14.927 -4.705 -2.844 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -18.327 -7.998 -4.391 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -16.233 -6.039 -1.238 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -17.896 -7.655 -2.004 1.00 0.00 H new ATOM 1614 N HIS A 103 -13.162 -1.140 -7.619 1.00 0.00 N ATOM 1615 CA HIS A 103 -12.234 -0.025 -7.506 1.00 0.00 C ATOM 1616 C HIS A 103 -12.679 0.930 -6.408 1.00 0.00 C ATOM 1617 O HIS A 103 -13.745 1.539 -6.495 1.00 0.00 O ATOM 1618 CB HIS A 103 -12.111 0.722 -8.834 1.00 0.00 C ATOM 1619 CG HIS A 103 -10.985 1.705 -8.836 1.00 0.00 C ATOM 1620 ND1 HIS A 103 -10.184 1.912 -7.736 1.00 0.00 N ATOM 1621 CD2 HIS A 103 -10.528 2.543 -9.798 1.00 0.00 C ATOM 1622 CE1 HIS A 103 -9.286 2.831 -8.012 1.00 0.00 C ATOM 1623 NE2 HIS A 103 -9.467 3.231 -9.259 1.00 0.00 N ATOM 0 H HIS A 103 -13.974 -0.965 -8.212 1.00 0.00 H new ATOM 0 HA HIS A 103 -11.255 -0.428 -7.247 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -11.962 0.003 -9.639 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -13.045 1.244 -9.041 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -10.922 2.650 -10.798 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -8.529 3.197 -7.335 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -8.910 3.936 -9.743 1.00 0.00 H new ATOM 1632 N PHE A 104 -11.864 1.057 -5.367 1.00 0.00 N ATOM 1633 CA PHE A 104 -12.189 1.937 -4.254 1.00 0.00 C ATOM 1634 C PHE A 104 -11.110 2.990 -4.032 1.00 0.00 C ATOM 1635 O PHE A 104 -9.988 2.869 -4.524 1.00 0.00 O ATOM 1636 CB PHE A 104 -12.363 1.134 -2.965 1.00 0.00 C ATOM 1637 CG PHE A 104 -13.389 0.038 -3.046 1.00 0.00 C ATOM 1638 CD1 PHE A 104 -14.681 0.306 -3.461 1.00 0.00 C ATOM 1639 CD2 PHE A 104 -13.058 -1.260 -2.689 1.00 0.00 C ATOM 1640 CE1 PHE A 104 -15.626 -0.700 -3.524 1.00 0.00 C ATOM 1641 CE2 PHE A 104 -13.997 -2.269 -2.748 1.00 0.00 C ATOM 1642 CZ PHE A 104 -15.284 -1.989 -3.166 1.00 0.00 C ATOM 0 H PHE A 104 -10.977 0.563 -5.272 1.00 0.00 H new ATOM 0 HA PHE A 104 -13.122 2.438 -4.510 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -11.403 0.696 -2.693 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -12.641 1.816 -2.162 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -14.954 1.313 -3.739 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -12.054 -1.484 -2.361 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -16.631 -0.479 -3.853 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -13.727 -3.276 -2.468 1.00 0.00 H new ATOM 0 HZ PHE A 104 -16.021 -2.777 -3.213 1.00 0.00 H new ATOM 1652 N GLU A 105 -11.465 4.009 -3.260 1.00 0.00 N ATOM 1653 CA GLU A 105 -10.546 5.086 -2.927 1.00 0.00 C ATOM 1654 C GLU A 105 -10.517 5.283 -1.415 1.00 0.00 C ATOM 1655 O GLU A 105 -11.450 5.841 -0.834 1.00 0.00 O ATOM 1656 CB GLU A 105 -10.961 6.386 -3.620 1.00 0.00 C ATOM 1657 CG GLU A 105 -10.060 7.566 -3.292 1.00 0.00 C ATOM 1658 CD GLU A 105 -10.782 8.653 -2.519 1.00 0.00 C ATOM 1659 OE1 GLU A 105 -10.884 8.533 -1.280 1.00 0.00 O ATOM 1660 OE2 GLU A 105 -11.245 9.625 -3.151 1.00 0.00 O ATOM 0 H GLU A 105 -12.393 4.111 -2.850 1.00 0.00 H new ATOM 0 HA GLU A 105 -9.549 4.817 -3.276 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -10.961 6.229 -4.699 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -11.984 6.630 -3.333 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -9.207 7.217 -2.710 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -9.664 7.985 -4.217 1.00 0.00 H new ATOM 1667 N ALA A 106 -9.452 4.800 -0.785 1.00 0.00 N ATOM 1668 CA ALA A 106 -9.300 4.902 0.662 1.00 0.00 C ATOM 1669 C ALA A 106 -9.441 6.341 1.141 1.00 0.00 C ATOM 1670 O ALA A 106 -8.715 7.230 0.694 1.00 0.00 O ATOM 1671 CB ALA A 106 -7.955 4.334 1.091 1.00 0.00 C ATOM 0 H ALA A 106 -8.678 4.332 -1.256 1.00 0.00 H new ATOM 0 HA ALA A 106 -10.098 4.319 1.122 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -7.854 4.416 2.173 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -7.893 3.286 0.799 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -7.153 4.893 0.608 1.00 0.00 H new ATOM 1677 N ALA A 107 -10.376 6.564 2.060 1.00 0.00 N ATOM 1678 CA ALA A 107 -10.606 7.894 2.608 1.00 0.00 C ATOM 1679 C ALA A 107 -9.345 8.428 3.278 1.00 0.00 C ATOM 1680 O ALA A 107 -9.113 9.636 3.319 1.00 0.00 O ATOM 1681 CB ALA A 107 -11.762 7.866 3.597 1.00 0.00 C ATOM 0 H ALA A 107 -10.986 5.840 2.440 1.00 0.00 H new ATOM 0 HA ALA A 107 -10.865 8.563 1.787 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -11.922 8.867 3.998 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -12.666 7.529 3.090 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -11.527 7.182 4.412 1.00 0.00 H new ATOM 1687 N SER A 108 -8.528 7.514 3.793 1.00 0.00 N ATOM 1688 CA SER A 108 -7.285 7.882 4.454 1.00 0.00 C ATOM 1689 C SER A 108 -6.088 7.298 3.710 1.00 0.00 C ATOM 1690 O SER A 108 -6.190 6.248 3.076 1.00 0.00 O ATOM 1691 CB SER A 108 -7.290 7.399 5.905 1.00 0.00 C ATOM 1692 OG SER A 108 -7.484 8.481 6.801 1.00 0.00 O ATOM 0 H SER A 108 -8.707 6.510 3.764 1.00 0.00 H new ATOM 0 HA SER A 108 -7.202 8.969 4.446 1.00 0.00 H new ATOM 0 HB2 SER A 108 -8.080 6.661 6.044 1.00 0.00 H new ATOM 0 HB3 SER A 108 -6.347 6.901 6.129 1.00 0.00 H new ATOM 0 HG SER A 108 -7.485 8.147 7.722 1.00 0.00 H new ATOM 1698 N PHE A 109 -4.954 7.986 3.790 1.00 0.00 N ATOM 1699 CA PHE A 109 -3.738 7.539 3.122 1.00 0.00 C ATOM 1700 C PHE A 109 -3.231 6.237 3.730 1.00 0.00 C ATOM 1701 O PHE A 109 -2.805 5.331 3.014 1.00 0.00 O ATOM 1702 CB PHE A 109 -2.660 8.622 3.209 1.00 0.00 C ATOM 1703 CG PHE A 109 -2.902 9.797 2.294 1.00 0.00 C ATOM 1704 CD1 PHE A 109 -4.118 9.956 1.642 1.00 0.00 C ATOM 1705 CD2 PHE A 109 -1.910 10.742 2.085 1.00 0.00 C ATOM 1706 CE1 PHE A 109 -4.336 11.031 0.803 1.00 0.00 C ATOM 1707 CE2 PHE A 109 -2.123 11.819 1.246 1.00 0.00 C ATOM 1708 CZ PHE A 109 -3.338 11.963 0.605 1.00 0.00 C ATOM 0 H PHE A 109 -4.852 8.857 4.312 1.00 0.00 H new ATOM 0 HA PHE A 109 -3.971 7.356 2.073 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -2.600 8.980 4.237 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -1.693 8.179 2.969 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -4.903 9.230 1.793 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -0.958 10.635 2.584 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -5.287 11.142 0.302 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -1.341 12.547 1.092 1.00 0.00 H new ATOM 0 HZ PHE A 109 -3.507 12.804 -0.051 1.00 0.00 H new ATOM 1718 N GLU A 110 -3.287 6.144 5.052 1.00 0.00 N ATOM 1719 CA GLU A 110 -2.841 4.946 5.752 1.00 0.00 C ATOM 1720 C GLU A 110 -3.847 3.814 5.570 1.00 0.00 C ATOM 1721 O GLU A 110 -3.479 2.640 5.526 1.00 0.00 O ATOM 1722 CB GLU A 110 -2.650 5.239 7.242 1.00 0.00 C ATOM 1723 CG GLU A 110 -1.262 5.754 7.588 1.00 0.00 C ATOM 1724 CD GLU A 110 -0.292 4.637 7.923 1.00 0.00 C ATOM 1725 OE1 GLU A 110 -0.179 3.688 7.119 1.00 0.00 O ATOM 1726 OE2 GLU A 110 0.353 4.713 8.990 1.00 0.00 O ATOM 0 H GLU A 110 -3.637 6.883 5.661 1.00 0.00 H new ATOM 0 HA GLU A 110 -1.886 4.638 5.327 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -3.390 5.975 7.557 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -2.843 4.329 7.810 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -0.872 6.329 6.748 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -1.332 6.436 8.436 1.00 0.00 H new ATOM 1733 N GLU A 111 -5.122 4.180 5.468 1.00 0.00 N ATOM 1734 CA GLU A 111 -6.190 3.204 5.295 1.00 0.00 C ATOM 1735 C GLU A 111 -5.989 2.375 4.030 1.00 0.00 C ATOM 1736 O GLU A 111 -6.220 1.166 4.030 1.00 0.00 O ATOM 1737 CB GLU A 111 -7.549 3.910 5.249 1.00 0.00 C ATOM 1738 CG GLU A 111 -8.487 3.491 6.368 1.00 0.00 C ATOM 1739 CD GLU A 111 -8.022 3.972 7.729 1.00 0.00 C ATOM 1740 OE1 GLU A 111 -7.396 5.051 7.795 1.00 0.00 O ATOM 1741 OE2 GLU A 111 -8.283 3.270 8.729 1.00 0.00 O ATOM 0 H GLU A 111 -5.440 5.149 5.502 1.00 0.00 H new ATOM 0 HA GLU A 111 -6.164 2.527 6.149 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -7.392 4.987 5.301 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -8.025 3.704 4.290 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -9.484 3.885 6.168 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -8.570 2.404 6.380 1.00 0.00 H new ATOM 1748 N ARG A 112 -5.559 3.024 2.950 1.00 0.00 N ATOM 1749 CA ARG A 112 -5.340 2.325 1.687 1.00 0.00 C ATOM 1750 C ARG A 112 -4.349 1.179 1.865 1.00 0.00 C ATOM 1751 O ARG A 112 -4.468 0.137 1.219 1.00 0.00 O ATOM 1752 CB ARG A 112 -4.842 3.292 0.607 1.00 0.00 C ATOM 1753 CG ARG A 112 -3.435 3.820 0.849 1.00 0.00 C ATOM 1754 CD ARG A 112 -2.474 3.405 -0.257 1.00 0.00 C ATOM 1755 NE ARG A 112 -2.623 1.997 -0.629 1.00 0.00 N ATOM 1756 CZ ARG A 112 -3.192 1.579 -1.758 1.00 0.00 C ATOM 1757 NH1 ARG A 112 -3.720 2.447 -2.613 1.00 0.00 N ATOM 1758 NH2 ARG A 112 -3.239 0.283 -2.032 1.00 0.00 N ATOM 0 H ARG A 112 -5.357 4.023 2.924 1.00 0.00 H new ATOM 0 HA ARG A 112 -6.295 1.910 1.366 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -4.868 2.787 -0.358 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -5.530 4.135 0.544 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -3.462 4.908 0.917 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -3.068 3.450 1.806 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -2.643 4.029 -1.134 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -1.450 3.585 0.069 1.00 0.00 H new ATOM 0 HE ARG A 112 -2.269 1.292 0.017 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -3.692 3.446 -2.408 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -4.153 2.115 -3.475 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -2.840 -0.391 -1.379 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -3.674 -0.040 -2.896 1.00 0.00 H new ATOM 1772 N ASP A 113 -3.376 1.375 2.749 1.00 0.00 N ATOM 1773 CA ASP A 113 -2.373 0.353 3.012 1.00 0.00 C ATOM 1774 C ASP A 113 -2.959 -0.778 3.851 1.00 0.00 C ATOM 1775 O ASP A 113 -2.712 -1.953 3.587 1.00 0.00 O ATOM 1776 CB ASP A 113 -1.160 0.959 3.720 1.00 0.00 C ATOM 1777 CG ASP A 113 -0.095 1.425 2.747 1.00 0.00 C ATOM 1778 OD1 ASP A 113 -0.360 2.383 1.991 1.00 0.00 O ATOM 1779 OD2 ASP A 113 1.004 0.830 2.740 1.00 0.00 O ATOM 0 H ASP A 113 -3.262 2.230 3.293 1.00 0.00 H new ATOM 0 HA ASP A 113 -2.051 -0.057 2.055 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -1.483 1.802 4.331 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -0.731 0.220 4.397 1.00 0.00 H new ATOM 1784 N ALA A 114 -3.743 -0.419 4.862 1.00 0.00 N ATOM 1785 CA ALA A 114 -4.364 -1.419 5.719 1.00 0.00 C ATOM 1786 C ALA A 114 -5.279 -2.311 4.899 1.00 0.00 C ATOM 1787 O ALA A 114 -5.236 -3.533 5.012 1.00 0.00 O ATOM 1788 CB ALA A 114 -5.129 -0.753 6.852 1.00 0.00 C ATOM 0 H ALA A 114 -3.961 0.547 5.106 1.00 0.00 H new ATOM 0 HA ALA A 114 -3.582 -2.037 6.160 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -5.586 -1.517 7.481 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -4.444 -0.153 7.450 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -5.907 -0.111 6.438 1.00 0.00 H new ATOM 1794 N TRP A 115 -6.096 -1.686 4.061 1.00 0.00 N ATOM 1795 CA TRP A 115 -7.010 -2.412 3.196 1.00 0.00 C ATOM 1796 C TRP A 115 -6.244 -3.277 2.207 1.00 0.00 C ATOM 1797 O TRP A 115 -6.497 -4.476 2.097 1.00 0.00 O ATOM 1798 CB TRP A 115 -7.899 -1.427 2.459 1.00 0.00 C ATOM 1799 CG TRP A 115 -9.073 -1.018 3.277 1.00 0.00 C ATOM 1800 CD1 TRP A 115 -9.187 0.090 4.059 1.00 0.00 C ATOM 1801 CD2 TRP A 115 -10.290 -1.738 3.425 1.00 0.00 C ATOM 1802 NE1 TRP A 115 -10.417 0.122 4.655 1.00 0.00 N ATOM 1803 CE2 TRP A 115 -11.116 -0.993 4.281 1.00 0.00 C ATOM 1804 CE3 TRP A 115 -10.766 -2.935 2.903 1.00 0.00 C ATOM 1805 CZ2 TRP A 115 -12.391 -1.415 4.626 1.00 0.00 C ATOM 1806 CZ3 TRP A 115 -12.033 -3.348 3.256 1.00 0.00 C ATOM 1807 CH2 TRP A 115 -12.828 -2.594 4.101 1.00 0.00 C ATOM 0 H TRP A 115 -6.142 -0.672 3.964 1.00 0.00 H new ATOM 0 HA TRP A 115 -7.629 -3.068 3.808 1.00 0.00 H new ATOM 0 HB2 TRP A 115 -7.318 -0.544 2.191 1.00 0.00 H new ATOM 0 HB3 TRP A 115 -8.244 -1.876 1.528 1.00 0.00 H new ATOM 0 HD1 TRP A 115 -8.417 0.836 4.190 1.00 0.00 H new ATOM 0 HE1 TRP A 115 -10.757 0.856 5.276 1.00 0.00 H new ATOM 0 HE3 TRP A 115 -10.157 -3.528 2.236 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 -13.015 -0.831 5.286 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 -12.413 -4.280 2.865 1.00 0.00 H new ATOM 0 HH2 TRP A 115 -13.817 -2.948 4.350 1.00 0.00 H new ATOM 1818 N VAL A 116 -5.294 -2.675 1.496 1.00 0.00 N ATOM 1819 CA VAL A 116 -4.494 -3.415 0.531 1.00 0.00 C ATOM 1820 C VAL A 116 -3.782 -4.577 1.217 1.00 0.00 C ATOM 1821 O VAL A 116 -3.576 -5.634 0.619 1.00 0.00 O ATOM 1822 CB VAL A 116 -3.473 -2.501 -0.191 1.00 0.00 C ATOM 1823 CG1 VAL A 116 -2.173 -2.372 0.594 1.00 0.00 C ATOM 1824 CG2 VAL A 116 -3.203 -3.016 -1.596 1.00 0.00 C ATOM 0 H VAL A 116 -5.062 -1.684 1.571 1.00 0.00 H new ATOM 0 HA VAL A 116 -5.170 -3.810 -0.227 1.00 0.00 H new ATOM 0 HB VAL A 116 -3.911 -1.505 -0.258 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -1.484 -1.723 0.053 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -2.381 -1.944 1.575 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -1.723 -3.357 0.716 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -2.484 -2.363 -2.091 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -2.798 -4.027 -1.542 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -4.133 -3.028 -2.164 1.00 0.00 H new ATOM 1834 N GLN A 117 -3.425 -4.379 2.484 1.00 0.00 N ATOM 1835 CA GLN A 117 -2.757 -5.417 3.255 1.00 0.00 C ATOM 1836 C GLN A 117 -3.780 -6.395 3.817 1.00 0.00 C ATOM 1837 O GLN A 117 -3.498 -7.581 3.979 1.00 0.00 O ATOM 1838 CB GLN A 117 -1.940 -4.799 4.391 1.00 0.00 C ATOM 1839 CG GLN A 117 -0.909 -5.745 4.984 1.00 0.00 C ATOM 1840 CD GLN A 117 -0.147 -5.127 6.139 1.00 0.00 C ATOM 1841 OE1 GLN A 117 -0.258 -5.574 7.281 1.00 0.00 O ATOM 1842 NE2 GLN A 117 0.632 -4.092 5.847 1.00 0.00 N ATOM 0 H GLN A 117 -3.588 -3.511 2.995 1.00 0.00 H new ATOM 0 HA GLN A 117 -2.079 -5.957 2.594 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -1.433 -3.909 4.020 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -2.618 -4.474 5.180 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -1.408 -6.652 5.326 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -0.205 -6.043 4.207 1.00 0.00 H new ATOM 0 HE21 GLN A 117 0.694 -3.755 4.886 1.00 0.00 H new ATOM 0 HE22 GLN A 117 1.169 -3.634 6.583 1.00 0.00 H new ATOM 1851 N ALA A 118 -4.977 -5.888 4.099 1.00 0.00 N ATOM 1852 CA ALA A 118 -6.052 -6.715 4.627 1.00 0.00 C ATOM 1853 C ALA A 118 -6.508 -7.711 3.573 1.00 0.00 C ATOM 1854 O ALA A 118 -6.640 -8.904 3.840 1.00 0.00 O ATOM 1855 CB ALA A 118 -7.218 -5.848 5.079 1.00 0.00 C ATOM 0 H ALA A 118 -5.225 -4.907 3.970 1.00 0.00 H new ATOM 0 HA ALA A 118 -5.679 -7.265 5.491 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -8.013 -6.483 5.471 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -6.882 -5.164 5.858 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -7.595 -5.275 4.232 1.00 0.00 H new ATOM 1861 N ILE A 119 -6.724 -7.206 2.367 1.00 0.00 N ATOM 1862 CA ILE A 119 -7.141 -8.041 1.253 1.00 0.00 C ATOM 1863 C ILE A 119 -6.033 -9.031 0.912 1.00 0.00 C ATOM 1864 O ILE A 119 -6.268 -10.236 0.834 1.00 0.00 O ATOM 1865 CB ILE A 119 -7.497 -7.188 0.012 1.00 0.00 C ATOM 1866 CG1 ILE A 119 -8.869 -6.536 0.194 1.00 0.00 C ATOM 1867 CG2 ILE A 119 -7.477 -8.028 -1.260 1.00 0.00 C ATOM 1868 CD1 ILE A 119 -8.819 -5.189 0.884 1.00 0.00 C ATOM 0 H ILE A 119 -6.617 -6.218 2.136 1.00 0.00 H new ATOM 0 HA ILE A 119 -8.037 -8.586 1.549 1.00 0.00 H new ATOM 0 HB ILE A 119 -6.743 -6.408 -0.088 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -9.336 -6.416 -0.783 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -9.506 -7.206 0.772 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -7.731 -7.401 -2.114 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -6.482 -8.449 -1.402 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -8.204 -8.836 -1.174 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -9.829 -4.790 0.977 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -8.382 -5.304 1.876 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -8.210 -4.502 0.297 1.00 0.00 H new ATOM 1880 N GLU A 120 -4.819 -8.516 0.734 1.00 0.00 N ATOM 1881 CA GLU A 120 -3.678 -9.364 0.426 1.00 0.00 C ATOM 1882 C GLU A 120 -3.435 -10.349 1.563 1.00 0.00 C ATOM 1883 O GLU A 120 -3.000 -11.479 1.341 1.00 0.00 O ATOM 1884 CB GLU A 120 -2.427 -8.516 0.187 1.00 0.00 C ATOM 1885 CG GLU A 120 -2.226 -8.129 -1.269 1.00 0.00 C ATOM 1886 CD GLU A 120 -1.437 -9.167 -2.044 1.00 0.00 C ATOM 1887 OE1 GLU A 120 -0.590 -9.848 -1.430 1.00 0.00 O ATOM 1888 OE2 GLU A 120 -1.667 -9.296 -3.265 1.00 0.00 O ATOM 0 H GLU A 120 -4.604 -7.521 0.798 1.00 0.00 H new ATOM 0 HA GLU A 120 -3.897 -9.922 -0.485 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -2.491 -7.610 0.790 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -1.552 -9.067 0.532 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -3.198 -7.989 -1.742 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -1.707 -7.172 -1.319 1.00 0.00 H new ATOM 1895 N SER A 121 -3.731 -9.912 2.785 1.00 0.00 N ATOM 1896 CA SER A 121 -3.556 -10.755 3.960 1.00 0.00 C ATOM 1897 C SER A 121 -4.480 -11.962 3.890 1.00 0.00 C ATOM 1898 O SER A 121 -4.050 -13.100 4.073 1.00 0.00 O ATOM 1899 CB SER A 121 -3.832 -9.959 5.237 1.00 0.00 C ATOM 1900 OG SER A 121 -2.679 -9.252 5.656 1.00 0.00 O ATOM 0 H SER A 121 -4.093 -8.979 2.985 1.00 0.00 H new ATOM 0 HA SER A 121 -2.523 -11.103 3.980 1.00 0.00 H new ATOM 0 HB2 SER A 121 -4.649 -9.258 5.063 1.00 0.00 H new ATOM 0 HB3 SER A 121 -4.155 -10.635 6.028 1.00 0.00 H new ATOM 0 HG SER A 121 -2.582 -8.438 5.120 1.00 0.00 H new ATOM 1906 N GLN A 122 -5.755 -11.705 3.615 1.00 0.00 N ATOM 1907 CA GLN A 122 -6.736 -12.775 3.513 1.00 0.00 C ATOM 1908 C GLN A 122 -6.377 -13.723 2.376 1.00 0.00 C ATOM 1909 O GLN A 122 -6.515 -14.941 2.500 1.00 0.00 O ATOM 1910 CB GLN A 122 -8.134 -12.195 3.290 1.00 0.00 C ATOM 1911 CG GLN A 122 -8.657 -11.393 4.470 1.00 0.00 C ATOM 1912 CD GLN A 122 -8.589 -12.162 5.775 1.00 0.00 C ATOM 1913 OE1 GLN A 122 -9.199 -13.222 5.918 1.00 0.00 O ATOM 1914 NE2 GLN A 122 -7.843 -11.629 6.737 1.00 0.00 N ATOM 0 H GLN A 122 -6.130 -10.769 3.460 1.00 0.00 H new ATOM 0 HA GLN A 122 -6.731 -13.335 4.448 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -8.116 -11.556 2.407 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -8.827 -13.010 3.080 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -8.079 -10.474 4.564 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -9.690 -11.102 4.278 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -7.355 -10.748 6.575 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -7.759 -12.101 7.638 1.00 0.00 H new ATOM 1923 N ILE A 123 -5.908 -13.156 1.270 1.00 0.00 N ATOM 1924 CA ILE A 123 -5.520 -13.950 0.114 1.00 0.00 C ATOM 1925 C ILE A 123 -4.304 -14.808 0.429 1.00 0.00 C ATOM 1926 O ILE A 123 -4.234 -15.972 0.038 1.00 0.00 O ATOM 1927 CB ILE A 123 -5.212 -13.061 -1.105 1.00 0.00 C ATOM 1928 CG1 ILE A 123 -6.378 -12.112 -1.376 1.00 0.00 C ATOM 1929 CG2 ILE A 123 -4.932 -13.919 -2.328 1.00 0.00 C ATOM 1930 CD1 ILE A 123 -5.970 -10.823 -2.059 1.00 0.00 C ATOM 0 H ILE A 123 -5.788 -12.150 1.151 1.00 0.00 H new ATOM 0 HA ILE A 123 -6.365 -14.595 -0.128 1.00 0.00 H new ATOM 0 HB ILE A 123 -4.324 -12.468 -0.888 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -7.114 -12.624 -1.996 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -6.867 -11.873 -0.432 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -4.716 -13.276 -3.182 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -4.074 -14.563 -2.132 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -5.804 -14.534 -2.548 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -6.851 -10.201 -2.218 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -5.257 -10.289 -1.431 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -5.508 -11.051 -3.020 1.00 0.00 H new ATOM 1942 N LEU A 124 -3.350 -14.226 1.143 1.00 0.00 N ATOM 1943 CA LEU A 124 -2.137 -14.939 1.519 1.00 0.00 C ATOM 1944 C LEU A 124 -2.471 -16.155 2.375 1.00 0.00 C ATOM 1945 O LEU A 124 -1.831 -17.200 2.266 1.00 0.00 O ATOM 1946 CB LEU A 124 -1.185 -14.011 2.276 1.00 0.00 C ATOM 1947 CG LEU A 124 0.178 -14.617 2.612 1.00 0.00 C ATOM 1948 CD1 LEU A 124 1.073 -14.635 1.382 1.00 0.00 C ATOM 1949 CD2 LEU A 124 0.840 -13.845 3.743 1.00 0.00 C ATOM 0 H LEU A 124 -3.393 -13.262 1.473 1.00 0.00 H new ATOM 0 HA LEU A 124 -1.646 -15.280 0.607 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -1.029 -13.111 1.681 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -1.666 -13.700 3.203 1.00 0.00 H new ATOM 0 HG LEU A 124 0.026 -15.645 2.940 1.00 0.00 H new ATOM 0 HD11 LEU A 124 2.038 -15.070 1.641 1.00 0.00 H new ATOM 0 HD12 LEU A 124 0.604 -15.232 0.600 1.00 0.00 H new ATOM 0 HD13 LEU A 124 1.218 -13.616 1.023 1.00 0.00 H new ATOM 0 HD21 LEU A 124 1.809 -14.290 3.969 1.00 0.00 H new ATOM 0 HD22 LEU A 124 0.979 -12.807 3.442 1.00 0.00 H new ATOM 0 HD23 LEU A 124 0.207 -13.884 4.630 1.00 0.00 H new ATOM 1961 N ALA A 125 -3.483 -16.012 3.225 1.00 0.00 N ATOM 1962 CA ALA A 125 -3.906 -17.102 4.096 1.00 0.00 C ATOM 1963 C ALA A 125 -4.704 -18.146 3.321 1.00 0.00 C ATOM 1964 O ALA A 125 -4.714 -19.324 3.679 1.00 0.00 O ATOM 1965 CB ALA A 125 -4.726 -16.561 5.258 1.00 0.00 C ATOM 0 H ALA A 125 -4.024 -15.154 3.329 1.00 0.00 H new ATOM 0 HA ALA A 125 -3.013 -17.586 4.491 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -5.035 -17.386 5.900 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -4.122 -15.859 5.834 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -5.609 -16.050 4.874 1.00 0.00 H new ATOM 1971 N SER A 126 -5.376 -17.705 2.262 1.00 0.00 N ATOM 1972 CA SER A 126 -6.183 -18.602 1.440 1.00 0.00 C ATOM 1973 C SER A 126 -5.339 -19.272 0.359 1.00 0.00 C ATOM 1974 O SER A 126 -5.573 -20.429 0.007 1.00 0.00 O ATOM 1975 CB SER A 126 -7.338 -17.833 0.794 1.00 0.00 C ATOM 1976 OG SER A 126 -8.489 -17.852 1.622 1.00 0.00 O ATOM 0 H SER A 126 -5.378 -16.733 1.953 1.00 0.00 H new ATOM 0 HA SER A 126 -6.585 -19.379 2.090 1.00 0.00 H new ATOM 0 HB2 SER A 126 -7.035 -16.802 0.610 1.00 0.00 H new ATOM 0 HB3 SER A 126 -7.575 -18.273 -0.175 1.00 0.00 H new ATOM 0 HG SER A 126 -9.212 -17.353 1.188 1.00 0.00 H new