USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 614 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 13 LYS NZ :NH3+ 164:sc= -1.21 (180deg=-2.34!) USER MOD Set 1.2: A 16 ASN : amide:sc= -3.14 K(o=-8.6,f=-18!) USER MOD Set 1.3: A 18 HIS : no HD1:sc= -2.27 K(o=-8.6,f=-9.5!) USER MOD Set 1.4: A 63 MET CE :methyl 175:sc= -1.97 (180deg=-0.429) USER MOD Single : A 3 HIS : no HD1:sc= -0.186 X(o=-0.19,f=-0.059) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.971 X(o=-0.97,f=-1.1) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -106:sc= 0 (180deg=-0.417) USER MOD Single : A 26 HIS : no HD1:sc= -1.96 K(o=-2,f=-2.6!) USER MOD Single : A 27 ASN : amide:sc= -0.162 K(o=-0.16,f=-0.89) USER MOD Single : A 28 GLN : amide:sc= -0.176 X(o=-0.18,f=-0.012) USER MOD Single : A 34 LYS NZ :NH3+ 171:sc= 0.00382 (180deg=0.00098) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 GLN :FLIP amide:sc= -1.55 F(o=-2.3,f=-1.5) USER MOD Single : A 39 GLN : amide:sc= -0.715 X(o=-0.71,f=-0.5) USER MOD Single : A 40 ASN :FLIP amide:sc= -1.55 F(o=-2.5,f=-1.5) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= -0.0713 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 MET CE :methyl 179:sc= 0 (180deg=-0.00504) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -1.54 K(o=-1.5,f=-6.3!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00646) USER MOD Single : A 61 HIS : no HD1:sc= -0.0776 K(o=-0.078,f=-0.67) USER MOD Single : A 62 SER OG : rot 68:sc= 1.1 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.0146 X(o=-0.015,f=-0.18) USER MOD Single : A 72 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.00389) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 40 N HIS A 3 -11.540 -5.299 8.779 1.00 0.00 N ATOM 41 CA HIS A 3 -10.553 -5.837 9.707 1.00 0.00 C ATOM 42 C HIS A 3 -9.270 -6.217 8.977 1.00 0.00 C ATOM 43 O HIS A 3 -8.172 -6.023 9.492 1.00 0.00 O ATOM 44 CB HIS A 3 -11.119 -7.057 10.436 1.00 0.00 C ATOM 45 CG HIS A 3 -11.823 -6.720 11.714 1.00 0.00 C ATOM 46 ND1 HIS A 3 -12.924 -7.412 12.171 1.00 0.00 N ATOM 47 CD2 HIS A 3 -11.576 -5.757 12.635 1.00 0.00 C ATOM 48 CE1 HIS A 3 -13.325 -6.890 13.318 1.00 0.00 C ATOM 49 NE2 HIS A 3 -12.524 -5.886 13.620 1.00 0.00 N ATOM 0 HA HIS A 3 -10.318 -5.063 10.437 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -11.813 -7.575 9.774 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -10.306 -7.751 10.651 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -10.782 -5.025 12.601 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -14.165 -7.228 13.907 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -12.597 -5.300 14.452 1.00 0.00 H new ATOM 58 N GLU A 4 -9.419 -6.760 7.774 1.00 0.00 N ATOM 59 CA GLU A 4 -8.273 -7.172 6.969 1.00 0.00 C ATOM 60 C GLU A 4 -7.571 -5.972 6.328 1.00 0.00 C ATOM 61 O GLU A 4 -6.534 -6.115 5.684 1.00 0.00 O ATOM 62 CB GLU A 4 -8.716 -8.155 5.884 1.00 0.00 C ATOM 63 CG GLU A 4 -9.668 -7.550 4.865 1.00 0.00 C ATOM 64 CD GLU A 4 -10.313 -8.595 3.975 1.00 0.00 C ATOM 65 OE1 GLU A 4 -11.152 -9.368 4.482 1.00 0.00 O ATOM 66 OE2 GLU A 4 -9.978 -8.639 2.773 1.00 0.00 O ATOM 0 H GLU A 4 -10.324 -6.926 7.333 1.00 0.00 H new ATOM 0 HA GLU A 4 -7.562 -7.661 7.635 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -7.834 -8.532 5.366 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -9.199 -9.011 6.356 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -10.446 -6.993 5.387 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -9.125 -6.836 4.246 1.00 0.00 H new ATOM 73 N PHE A 5 -8.136 -4.791 6.506 1.00 0.00 N ATOM 74 CA PHE A 5 -7.556 -3.581 5.952 1.00 0.00 C ATOM 75 C PHE A 5 -6.609 -2.938 6.949 1.00 0.00 C ATOM 76 O PHE A 5 -5.707 -2.191 6.579 1.00 0.00 O ATOM 77 CB PHE A 5 -8.647 -2.596 5.558 1.00 0.00 C ATOM 78 CG PHE A 5 -9.082 -2.717 4.125 1.00 0.00 C ATOM 79 CD1 PHE A 5 -9.376 -3.956 3.577 1.00 0.00 C ATOM 80 CD2 PHE A 5 -9.197 -1.591 3.326 1.00 0.00 C ATOM 81 CE1 PHE A 5 -9.777 -4.068 2.260 1.00 0.00 C ATOM 82 CE2 PHE A 5 -9.596 -1.698 2.007 1.00 0.00 C ATOM 83 CZ PHE A 5 -9.887 -2.938 1.474 1.00 0.00 C ATOM 0 H PHE A 5 -8.998 -4.644 7.031 1.00 0.00 H new ATOM 0 HA PHE A 5 -6.992 -3.853 5.060 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -9.511 -2.747 6.205 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.290 -1.582 5.735 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -9.291 -4.843 4.187 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -8.972 -0.619 3.739 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -10.004 -5.039 1.845 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -9.680 -0.813 1.394 1.00 0.00 H new ATOM 0 HZ PHE A 5 -10.200 -3.024 0.444 1.00 0.00 H new ATOM 93 N ARG A 6 -6.818 -3.239 8.217 1.00 0.00 N ATOM 94 CA ARG A 6 -5.974 -2.709 9.268 1.00 0.00 C ATOM 95 C ARG A 6 -5.244 -3.849 9.951 1.00 0.00 C ATOM 96 O ARG A 6 -4.125 -3.683 10.436 1.00 0.00 O ATOM 97 CB ARG A 6 -6.804 -1.916 10.282 1.00 0.00 C ATOM 98 CG ARG A 6 -5.996 -1.401 11.463 1.00 0.00 C ATOM 99 CD ARG A 6 -5.944 -2.419 12.591 1.00 0.00 C ATOM 100 NE ARG A 6 -6.483 -1.882 13.838 1.00 0.00 N ATOM 101 CZ ARG A 6 -6.895 -2.636 14.855 1.00 0.00 C ATOM 102 NH1 ARG A 6 -6.831 -3.961 14.777 1.00 0.00 N ATOM 103 NH2 ARG A 6 -7.372 -2.065 15.952 1.00 0.00 N ATOM 0 H ARG A 6 -7.567 -3.849 8.543 1.00 0.00 H new ATOM 0 HA ARG A 6 -5.244 -2.028 8.829 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -7.270 -1.071 9.775 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -7.610 -2.549 10.653 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -4.983 -1.166 11.137 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.436 -0.473 11.829 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -6.508 -3.307 12.305 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -4.912 -2.734 12.748 1.00 0.00 H new ATOM 0 HE ARG A 6 -6.548 -0.869 13.935 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -6.465 -4.405 13.935 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -7.148 -4.534 15.559 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -7.423 -1.048 16.017 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -7.688 -2.642 16.731 1.00 0.00 H new ATOM 117 N ASP A 7 -5.877 -5.015 9.971 1.00 0.00 N ATOM 118 CA ASP A 7 -5.273 -6.182 10.575 1.00 0.00 C ATOM 119 C ASP A 7 -4.472 -6.960 9.545 1.00 0.00 C ATOM 120 O ASP A 7 -3.455 -7.564 9.878 1.00 0.00 O ATOM 121 CB ASP A 7 -6.332 -7.082 11.216 1.00 0.00 C ATOM 122 CG ASP A 7 -7.257 -6.322 12.147 1.00 0.00 C ATOM 123 OD1 ASP A 7 -7.690 -5.211 11.780 1.00 0.00 O ATOM 124 OD2 ASP A 7 -7.549 -6.839 13.246 1.00 0.00 O ATOM 0 H ASP A 7 -6.804 -5.171 9.576 1.00 0.00 H new ATOM 0 HA ASP A 7 -4.598 -5.842 11.360 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -6.922 -7.558 10.432 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -5.838 -7.879 11.772 1.00 0.00 H new ATOM 129 N GLU A 8 -4.905 -6.929 8.285 1.00 0.00 N ATOM 130 CA GLU A 8 -4.162 -7.626 7.250 1.00 0.00 C ATOM 131 C GLU A 8 -3.153 -6.682 6.628 1.00 0.00 C ATOM 132 O GLU A 8 -2.121 -7.112 6.113 1.00 0.00 O ATOM 133 CB GLU A 8 -5.089 -8.213 6.185 1.00 0.00 C ATOM 134 CG GLU A 8 -4.932 -9.714 6.002 1.00 0.00 C ATOM 135 CD GLU A 8 -4.828 -10.119 4.544 1.00 0.00 C ATOM 136 OE1 GLU A 8 -4.343 -9.302 3.734 1.00 0.00 O ATOM 137 OE2 GLU A 8 -5.233 -11.253 4.214 1.00 0.00 O ATOM 0 H GLU A 8 -5.743 -6.442 7.967 1.00 0.00 H new ATOM 0 HA GLU A 8 -3.636 -8.463 7.709 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -6.122 -7.994 6.454 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.896 -7.717 5.234 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.041 -10.049 6.532 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -5.783 -10.222 6.456 1.00 0.00 H new ATOM 144 N ILE A 9 -3.444 -5.385 6.684 1.00 0.00 N ATOM 145 CA ILE A 9 -2.529 -4.408 6.126 1.00 0.00 C ATOM 146 C ILE A 9 -1.464 -4.009 7.134 1.00 0.00 C ATOM 147 O ILE A 9 -0.347 -3.660 6.760 1.00 0.00 O ATOM 148 CB ILE A 9 -3.260 -3.146 5.645 1.00 0.00 C ATOM 149 CG1 ILE A 9 -4.418 -3.530 4.718 1.00 0.00 C ATOM 150 CG2 ILE A 9 -2.283 -2.206 4.953 1.00 0.00 C ATOM 151 CD1 ILE A 9 -5.028 -2.358 3.975 1.00 0.00 C ATOM 0 H ILE A 9 -4.290 -4.997 7.102 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.055 -4.887 5.269 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.677 -2.622 6.505 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.062 -4.261 3.992 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -5.195 -4.018 5.307 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.812 -1.315 4.616 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -1.497 -1.919 5.652 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.839 -2.710 4.095 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.840 -2.712 3.340 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -5.417 -1.635 4.692 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.266 -1.882 3.357 1.00 0.00 H new ATOM 163 N SER A 10 -1.802 -4.045 8.415 1.00 0.00 N ATOM 164 CA SER A 10 -0.839 -3.667 9.435 1.00 0.00 C ATOM 165 C SER A 10 -0.039 -4.863 9.941 1.00 0.00 C ATOM 166 O SER A 10 1.044 -4.696 10.496 1.00 0.00 O ATOM 167 CB SER A 10 -1.533 -2.965 10.601 1.00 0.00 C ATOM 168 OG SER A 10 -0.624 -2.147 11.319 1.00 0.00 O ATOM 0 H SER A 10 -2.717 -4.326 8.767 1.00 0.00 H new ATOM 0 HA SER A 10 -0.137 -2.975 8.970 1.00 0.00 H new ATOM 0 HB2 SER A 10 -2.356 -2.357 10.225 1.00 0.00 H new ATOM 0 HB3 SER A 10 -1.966 -3.708 11.271 1.00 0.00 H new ATOM 0 HG SER A 10 -1.093 -1.708 12.059 1.00 0.00 H new ATOM 174 N VAL A 11 -0.575 -6.064 9.773 1.00 0.00 N ATOM 175 CA VAL A 11 0.122 -7.256 10.250 1.00 0.00 C ATOM 176 C VAL A 11 1.023 -7.868 9.186 1.00 0.00 C ATOM 177 O VAL A 11 2.122 -8.334 9.485 1.00 0.00 O ATOM 178 CB VAL A 11 -0.861 -8.323 10.771 1.00 0.00 C ATOM 179 CG1 VAL A 11 -0.112 -9.560 11.250 1.00 0.00 C ATOM 180 CG2 VAL A 11 -1.718 -7.752 11.890 1.00 0.00 C ATOM 0 H VAL A 11 -1.472 -6.240 9.320 1.00 0.00 H new ATOM 0 HA VAL A 11 0.750 -6.922 11.076 1.00 0.00 H new ATOM 0 HB VAL A 11 -1.514 -8.618 9.949 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.826 -10.300 11.613 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.459 -9.982 10.423 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.567 -9.284 12.057 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -2.407 -8.517 12.247 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.077 -7.429 12.710 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.285 -6.900 11.515 1.00 0.00 H new ATOM 190 N LEU A 12 0.550 -7.889 7.952 1.00 0.00 N ATOM 191 CA LEU A 12 1.314 -8.473 6.856 1.00 0.00 C ATOM 192 C LEU A 12 2.199 -7.446 6.178 1.00 0.00 C ATOM 193 O LEU A 12 3.293 -7.763 5.718 1.00 0.00 O ATOM 194 CB LEU A 12 0.376 -9.085 5.819 1.00 0.00 C ATOM 195 CG LEU A 12 -0.951 -9.595 6.371 1.00 0.00 C ATOM 196 CD1 LEU A 12 -1.927 -9.875 5.239 1.00 0.00 C ATOM 197 CD2 LEU A 12 -0.734 -10.841 7.217 1.00 0.00 C ATOM 0 H LEU A 12 -0.357 -7.510 7.681 1.00 0.00 H new ATOM 0 HA LEU A 12 1.949 -9.248 7.285 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.170 -8.338 5.052 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.890 -9.912 5.329 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.380 -8.821 7.008 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.868 -10.238 5.652 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.106 -8.958 4.678 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.507 -10.630 4.575 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.692 -11.190 7.602 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.282 -11.622 6.605 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.072 -10.604 8.050 1.00 0.00 H new ATOM 209 N LYS A 13 1.709 -6.222 6.085 1.00 0.00 N ATOM 210 CA LYS A 13 2.462 -5.169 5.418 1.00 0.00 C ATOM 211 C LYS A 13 3.381 -4.419 6.378 1.00 0.00 C ATOM 212 O LYS A 13 4.424 -3.909 5.971 1.00 0.00 O ATOM 213 CB LYS A 13 1.507 -4.203 4.724 1.00 0.00 C ATOM 214 CG LYS A 13 1.450 -4.402 3.222 1.00 0.00 C ATOM 215 CD LYS A 13 2.464 -3.525 2.510 1.00 0.00 C ATOM 216 CE LYS A 13 3.858 -4.125 2.558 1.00 0.00 C ATOM 217 NZ LYS A 13 4.757 -3.366 3.470 1.00 0.00 N ATOM 0 H LYS A 13 0.804 -5.933 6.457 1.00 0.00 H new ATOM 0 HA LYS A 13 3.100 -5.643 4.672 1.00 0.00 H new ATOM 0 HB2 LYS A 13 0.507 -4.328 5.140 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.815 -3.180 4.938 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.641 -5.449 2.984 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.448 -4.170 2.860 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.162 -3.389 1.472 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.477 -2.537 2.970 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.796 -5.162 2.889 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.284 -4.136 1.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.595 -3.941 3.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.054 -2.483 3.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.250 -3.143 4.351 1.00 0.00 H new ATOM 231 N ALA A 14 3.004 -4.357 7.647 1.00 0.00 N ATOM 232 CA ALA A 14 3.819 -3.667 8.639 1.00 0.00 C ATOM 233 C ALA A 14 4.838 -4.609 9.276 1.00 0.00 C ATOM 234 O ALA A 14 5.648 -4.187 10.101 1.00 0.00 O ATOM 235 CB ALA A 14 2.941 -3.031 9.706 1.00 0.00 C ATOM 0 H ALA A 14 2.147 -4.772 8.013 1.00 0.00 H new ATOM 0 HA ALA A 14 4.369 -2.879 8.125 1.00 0.00 H new ATOM 0 HB1 ALA A 14 3.568 -2.521 10.437 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.267 -2.311 9.241 1.00 0.00 H new ATOM 0 HB3 ALA A 14 2.357 -3.804 10.205 1.00 0.00 H new ATOM 241 N ASN A 15 4.786 -5.887 8.906 1.00 0.00 N ATOM 242 CA ASN A 15 5.705 -6.875 9.473 1.00 0.00 C ATOM 243 C ASN A 15 6.462 -7.657 8.412 1.00 0.00 C ATOM 244 O ASN A 15 7.386 -8.403 8.741 1.00 0.00 O ATOM 245 CB ASN A 15 4.950 -7.839 10.389 1.00 0.00 C ATOM 246 CG ASN A 15 4.157 -7.117 11.461 1.00 0.00 C ATOM 247 OD1 ASN A 15 4.581 -6.081 11.971 1.00 0.00 O ATOM 248 ND2 ASN A 15 2.997 -7.663 11.809 1.00 0.00 N ATOM 0 H ASN A 15 4.126 -6.261 8.224 1.00 0.00 H new ATOM 0 HA ASN A 15 6.444 -6.318 10.049 1.00 0.00 H new ATOM 0 HB2 ASN A 15 4.274 -8.450 9.791 1.00 0.00 H new ATOM 0 HB3 ASN A 15 5.660 -8.518 10.861 1.00 0.00 H new ATOM 0 HD21 ASN A 15 2.420 -7.222 12.525 1.00 0.00 H new ATOM 0 HD22 ASN A 15 2.683 -8.523 11.360 1.00 0.00 H new ATOM 255 N ASN A 16 6.095 -7.504 7.147 1.00 0.00 N ATOM 256 CA ASN A 16 6.792 -8.229 6.099 1.00 0.00 C ATOM 257 C ASN A 16 8.150 -7.593 5.810 1.00 0.00 C ATOM 258 O ASN A 16 8.294 -6.372 5.865 1.00 0.00 O ATOM 259 CB ASN A 16 5.956 -8.301 4.819 1.00 0.00 C ATOM 260 CG ASN A 16 5.698 -6.935 4.215 1.00 0.00 C ATOM 261 OD1 ASN A 16 5.561 -5.942 4.930 1.00 0.00 O ATOM 262 ND2 ASN A 16 5.630 -6.880 2.890 1.00 0.00 N ATOM 0 H ASN A 16 5.338 -6.900 6.829 1.00 0.00 H new ATOM 0 HA ASN A 16 6.952 -9.247 6.455 1.00 0.00 H new ATOM 0 HB2 ASN A 16 6.469 -8.926 4.089 1.00 0.00 H new ATOM 0 HB3 ASN A 16 5.003 -8.783 5.038 1.00 0.00 H new ATOM 0 HD21 ASN A 16 5.458 -5.989 2.425 1.00 0.00 H new ATOM 0 HD22 ASN A 16 5.750 -7.729 2.338 1.00 0.00 H new ATOM 269 N PRO A 17 9.170 -8.417 5.506 1.00 0.00 N ATOM 270 CA PRO A 17 10.527 -7.933 5.219 1.00 0.00 C ATOM 271 C PRO A 17 10.553 -6.780 4.228 1.00 0.00 C ATOM 272 O PRO A 17 11.483 -5.973 4.224 1.00 0.00 O ATOM 273 CB PRO A 17 11.221 -9.162 4.633 1.00 0.00 C ATOM 274 CG PRO A 17 10.515 -10.320 5.249 1.00 0.00 C ATOM 275 CD PRO A 17 9.083 -9.890 5.427 1.00 0.00 C ATOM 0 HA PRO A 17 11.008 -7.534 6.112 1.00 0.00 H new ATOM 0 HB2 PRO A 17 11.142 -9.182 3.546 1.00 0.00 H new ATOM 0 HB3 PRO A 17 12.284 -9.171 4.875 1.00 0.00 H new ATOM 0 HG2 PRO A 17 10.581 -11.201 4.610 1.00 0.00 H new ATOM 0 HG3 PRO A 17 10.964 -10.586 6.206 1.00 0.00 H new ATOM 0 HD2 PRO A 17 8.461 -10.211 4.591 1.00 0.00 H new ATOM 0 HD3 PRO A 17 8.646 -10.315 6.331 1.00 0.00 H new ATOM 283 N HIS A 18 9.535 -6.711 3.391 1.00 0.00 N ATOM 284 CA HIS A 18 9.437 -5.661 2.393 1.00 0.00 C ATOM 285 C HIS A 18 9.073 -4.324 3.033 1.00 0.00 C ATOM 286 O HIS A 18 9.372 -3.263 2.485 1.00 0.00 O ATOM 287 CB HIS A 18 8.394 -6.056 1.356 1.00 0.00 C ATOM 288 CG HIS A 18 8.904 -6.025 -0.052 1.00 0.00 C ATOM 289 ND1 HIS A 18 9.637 -4.975 -0.565 1.00 0.00 N ATOM 290 CD2 HIS A 18 8.788 -6.926 -1.057 1.00 0.00 C ATOM 291 CE1 HIS A 18 9.946 -5.230 -1.824 1.00 0.00 C ATOM 292 NE2 HIS A 18 9.444 -6.408 -2.145 1.00 0.00 N ATOM 0 H HIS A 18 8.760 -7.374 3.382 1.00 0.00 H new ATOM 0 HA HIS A 18 10.407 -5.540 1.911 1.00 0.00 H new ATOM 0 HB2 HIS A 18 8.033 -7.060 1.580 1.00 0.00 H new ATOM 0 HB3 HIS A 18 7.540 -5.384 1.439 1.00 0.00 H new ATOM 0 HD2 HIS A 18 8.275 -7.875 -1.010 1.00 0.00 H new ATOM 0 HE1 HIS A 18 10.513 -4.585 -2.479 1.00 0.00 H new ATOM 0 HE2 HIS A 18 9.530 -6.860 -3.055 1.00 0.00 H new ATOM 301 N PHE A 19 8.430 -4.379 4.197 1.00 0.00 N ATOM 302 CA PHE A 19 8.034 -3.167 4.908 1.00 0.00 C ATOM 303 C PHE A 19 9.232 -2.241 5.110 1.00 0.00 C ATOM 304 O PHE A 19 9.097 -1.024 5.159 1.00 0.00 O ATOM 305 CB PHE A 19 7.389 -3.529 6.255 1.00 0.00 C ATOM 306 CG PHE A 19 8.332 -3.509 7.430 1.00 0.00 C ATOM 307 CD1 PHE A 19 9.479 -4.287 7.433 1.00 0.00 C ATOM 308 CD2 PHE A 19 8.066 -2.710 8.531 1.00 0.00 C ATOM 309 CE1 PHE A 19 10.343 -4.268 8.512 1.00 0.00 C ATOM 310 CE2 PHE A 19 8.927 -2.687 9.612 1.00 0.00 C ATOM 311 CZ PHE A 19 10.067 -3.468 9.603 1.00 0.00 C ATOM 0 H PHE A 19 8.173 -5.247 4.666 1.00 0.00 H new ATOM 0 HA PHE A 19 7.298 -2.635 4.304 1.00 0.00 H new ATOM 0 HB2 PHE A 19 6.572 -2.834 6.450 1.00 0.00 H new ATOM 0 HB3 PHE A 19 6.949 -4.523 6.176 1.00 0.00 H new ATOM 0 HD1 PHE A 19 9.700 -4.915 6.583 1.00 0.00 H new ATOM 0 HD2 PHE A 19 7.176 -2.099 8.544 1.00 0.00 H new ATOM 0 HE1 PHE A 19 11.234 -4.879 8.502 1.00 0.00 H new ATOM 0 HE2 PHE A 19 8.709 -2.059 10.463 1.00 0.00 H new ATOM 0 HZ PHE A 19 10.740 -3.453 10.447 1.00 0.00 H new ATOM 321 N ASP A 20 10.409 -2.826 5.220 1.00 0.00 N ATOM 322 CA ASP A 20 11.623 -2.047 5.412 1.00 0.00 C ATOM 323 C ASP A 20 11.715 -0.914 4.399 1.00 0.00 C ATOM 324 O ASP A 20 11.901 0.244 4.761 1.00 0.00 O ATOM 325 CB ASP A 20 12.850 -2.941 5.289 1.00 0.00 C ATOM 326 CG ASP A 20 13.181 -3.655 6.585 1.00 0.00 C ATOM 327 OD1 ASP A 20 12.781 -3.156 7.658 1.00 0.00 O ATOM 328 OD2 ASP A 20 13.840 -4.715 6.527 1.00 0.00 O ATOM 0 H ASP A 20 10.553 -3.835 5.180 1.00 0.00 H new ATOM 0 HA ASP A 20 11.587 -1.616 6.413 1.00 0.00 H new ATOM 0 HB2 ASP A 20 12.681 -3.679 4.505 1.00 0.00 H new ATOM 0 HB3 ASP A 20 13.705 -2.339 4.981 1.00 0.00 H new ATOM 333 N LYS A 21 11.589 -1.264 3.128 1.00 0.00 N ATOM 334 CA LYS A 21 11.664 -0.283 2.052 1.00 0.00 C ATOM 335 C LYS A 21 10.289 0.283 1.711 1.00 0.00 C ATOM 336 O LYS A 21 10.137 1.486 1.502 1.00 0.00 O ATOM 337 CB LYS A 21 12.291 -0.915 0.809 1.00 0.00 C ATOM 338 CG LYS A 21 13.810 -0.838 0.786 1.00 0.00 C ATOM 339 CD LYS A 21 14.301 0.241 -0.165 1.00 0.00 C ATOM 340 CE LYS A 21 15.550 -0.201 -0.910 1.00 0.00 C ATOM 341 NZ LYS A 21 16.787 0.054 -0.121 1.00 0.00 N ATOM 0 H LYS A 21 11.434 -2.222 2.814 1.00 0.00 H new ATOM 0 HA LYS A 21 12.289 0.541 2.396 1.00 0.00 H new ATOM 0 HB2 LYS A 21 11.988 -1.960 0.751 1.00 0.00 H new ATOM 0 HB3 LYS A 21 11.897 -0.419 -0.078 1.00 0.00 H new ATOM 0 HG2 LYS A 21 14.180 -0.634 1.791 1.00 0.00 H new ATOM 0 HG3 LYS A 21 14.219 -1.802 0.485 1.00 0.00 H new ATOM 0 HD2 LYS A 21 13.515 0.482 -0.881 1.00 0.00 H new ATOM 0 HD3 LYS A 21 14.513 1.152 0.395 1.00 0.00 H new ATOM 0 HE2 LYS A 21 15.479 -1.264 -1.140 1.00 0.00 H new ATOM 0 HE3 LYS A 21 15.611 0.327 -1.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 17.616 -0.261 -0.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 16.869 1.072 0.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 16.741 -0.470 0.776 1.00 0.00 H new ATOM 355 N ILE A 22 9.297 -0.594 1.639 1.00 0.00 N ATOM 356 CA ILE A 22 7.937 -0.185 1.304 1.00 0.00 C ATOM 357 C ILE A 22 7.298 0.631 2.422 1.00 0.00 C ATOM 358 O ILE A 22 6.494 1.526 2.161 1.00 0.00 O ATOM 359 CB ILE A 22 7.041 -1.400 1.000 1.00 0.00 C ATOM 360 CG1 ILE A 22 7.736 -2.340 0.011 1.00 0.00 C ATOM 361 CG2 ILE A 22 5.696 -0.942 0.453 1.00 0.00 C ATOM 362 CD1 ILE A 22 6.878 -3.510 -0.422 1.00 0.00 C ATOM 0 H ILE A 22 9.407 -1.594 1.808 1.00 0.00 H new ATOM 0 HA ILE A 22 8.017 0.437 0.412 1.00 0.00 H new ATOM 0 HB ILE A 22 6.866 -1.946 1.927 1.00 0.00 H new ATOM 0 HG12 ILE A 22 8.031 -1.771 -0.871 1.00 0.00 H new ATOM 0 HG13 ILE A 22 8.651 -2.720 0.466 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.073 -1.812 0.243 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.200 -0.310 1.190 1.00 0.00 H new ATOM 0 HG23 ILE A 22 5.850 -0.376 -0.466 1.00 0.00 H new ATOM 0 HD11 ILE A 22 7.437 -4.132 -1.122 1.00 0.00 H new ATOM 0 HD12 ILE A 22 6.604 -4.103 0.451 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.975 -3.139 -0.907 1.00 0.00 H new ATOM 374 N PHE A 23 7.649 0.322 3.665 1.00 0.00 N ATOM 375 CA PHE A 23 7.089 1.038 4.806 1.00 0.00 C ATOM 376 C PHE A 23 7.941 2.247 5.174 1.00 0.00 C ATOM 377 O PHE A 23 7.419 3.250 5.657 1.00 0.00 O ATOM 378 CB PHE A 23 6.928 0.111 6.014 1.00 0.00 C ATOM 379 CG PHE A 23 5.518 0.029 6.515 1.00 0.00 C ATOM 380 CD1 PHE A 23 4.982 1.042 7.295 1.00 0.00 C ATOM 381 CD2 PHE A 23 4.727 -1.061 6.200 1.00 0.00 C ATOM 382 CE1 PHE A 23 3.679 0.966 7.750 1.00 0.00 C ATOM 383 CE2 PHE A 23 3.425 -1.143 6.654 1.00 0.00 C ATOM 384 CZ PHE A 23 2.900 -0.127 7.430 1.00 0.00 C ATOM 0 H PHE A 23 8.313 -0.413 3.908 1.00 0.00 H new ATOM 0 HA PHE A 23 6.102 1.395 4.513 1.00 0.00 H new ATOM 0 HB2 PHE A 23 7.269 -0.889 5.744 1.00 0.00 H new ATOM 0 HB3 PHE A 23 7.573 0.461 6.820 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.588 1.899 7.550 1.00 0.00 H new ATOM 0 HD2 PHE A 23 5.132 -1.857 5.592 1.00 0.00 H new ATOM 0 HE1 PHE A 23 3.271 1.762 8.356 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.818 -2.000 6.403 1.00 0.00 H new ATOM 0 HZ PHE A 23 1.882 -0.188 7.785 1.00 0.00 H new ATOM 394 N GLU A 24 9.249 2.160 4.944 1.00 0.00 N ATOM 395 CA GLU A 24 10.131 3.277 5.260 1.00 0.00 C ATOM 396 C GLU A 24 9.871 4.434 4.307 1.00 0.00 C ATOM 397 O GLU A 24 9.828 5.594 4.718 1.00 0.00 O ATOM 398 CB GLU A 24 11.598 2.853 5.189 1.00 0.00 C ATOM 399 CG GLU A 24 12.575 3.995 5.417 1.00 0.00 C ATOM 400 CD GLU A 24 14.014 3.591 5.165 1.00 0.00 C ATOM 401 OE1 GLU A 24 14.491 2.649 5.833 1.00 0.00 O ATOM 402 OE2 GLU A 24 14.665 4.216 4.301 1.00 0.00 O ATOM 0 H GLU A 24 9.714 1.343 4.547 1.00 0.00 H new ATOM 0 HA GLU A 24 9.920 3.601 6.279 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.779 2.077 5.933 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.792 2.410 4.212 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.315 4.827 4.762 1.00 0.00 H new ATOM 0 HG3 GLU A 24 12.476 4.353 6.442 1.00 0.00 H new ATOM 409 N LYS A 25 9.678 4.108 3.035 1.00 0.00 N ATOM 410 CA LYS A 25 9.400 5.119 2.026 1.00 0.00 C ATOM 411 C LYS A 25 7.979 5.636 2.192 1.00 0.00 C ATOM 412 O LYS A 25 7.709 6.821 1.999 1.00 0.00 O ATOM 413 CB LYS A 25 9.593 4.543 0.622 1.00 0.00 C ATOM 414 CG LYS A 25 10.992 4.750 0.066 1.00 0.00 C ATOM 415 CD LYS A 25 12.013 3.892 0.798 1.00 0.00 C ATOM 416 CE LYS A 25 13.389 4.539 0.795 1.00 0.00 C ATOM 417 NZ LYS A 25 14.245 4.020 -0.307 1.00 0.00 N ATOM 0 H LYS A 25 9.709 3.153 2.679 1.00 0.00 H new ATOM 0 HA LYS A 25 10.098 5.946 2.156 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.374 3.475 0.643 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.871 5.003 -0.053 1.00 0.00 H new ATOM 0 HG2 LYS A 25 11.003 4.505 -0.996 1.00 0.00 H new ATOM 0 HG3 LYS A 25 11.268 5.801 0.153 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.687 3.733 1.826 1.00 0.00 H new ATOM 0 HD3 LYS A 25 12.070 2.911 0.327 1.00 0.00 H new ATOM 0 HE2 LYS A 25 13.282 5.619 0.693 1.00 0.00 H new ATOM 0 HE3 LYS A 25 13.878 4.356 1.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 14.966 3.381 0.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.656 3.500 -0.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 14.711 4.815 -0.788 1.00 0.00 H new ATOM 431 N HIS A 26 7.078 4.736 2.570 1.00 0.00 N ATOM 432 CA HIS A 26 5.682 5.091 2.784 1.00 0.00 C ATOM 433 C HIS A 26 5.537 5.890 4.072 1.00 0.00 C ATOM 434 O HIS A 26 4.842 6.905 4.114 1.00 0.00 O ATOM 435 CB HIS A 26 4.816 3.829 2.843 1.00 0.00 C ATOM 436 CG HIS A 26 3.374 4.100 3.141 1.00 0.00 C ATOM 437 ND1 HIS A 26 2.690 3.488 4.170 1.00 0.00 N ATOM 438 CD2 HIS A 26 2.482 4.925 2.539 1.00 0.00 C ATOM 439 CE1 HIS A 26 1.442 3.922 4.188 1.00 0.00 C ATOM 440 NE2 HIS A 26 1.291 4.795 3.209 1.00 0.00 N ATOM 0 H HIS A 26 7.292 3.752 2.735 1.00 0.00 H new ATOM 0 HA HIS A 26 5.345 5.706 1.949 1.00 0.00 H new ATOM 0 HB2 HIS A 26 4.888 3.305 1.890 1.00 0.00 H new ATOM 0 HB3 HIS A 26 5.216 3.160 3.606 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.673 5.565 1.690 1.00 0.00 H new ATOM 0 HE1 HIS A 26 0.676 3.615 4.885 1.00 0.00 H new ATOM 0 HE2 HIS A 26 0.429 5.292 2.987 1.00 0.00 H new ATOM 449 N ASN A 27 6.207 5.425 5.120 1.00 0.00 N ATOM 450 CA ASN A 27 6.163 6.097 6.414 1.00 0.00 C ATOM 451 C ASN A 27 6.825 7.471 6.338 1.00 0.00 C ATOM 452 O ASN A 27 6.519 8.362 7.131 1.00 0.00 O ATOM 453 CB ASN A 27 6.851 5.243 7.481 1.00 0.00 C ATOM 454 CG ASN A 27 6.605 5.762 8.884 1.00 0.00 C ATOM 455 OD1 ASN A 27 7.286 6.676 9.349 1.00 0.00 O ATOM 456 ND2 ASN A 27 5.627 5.178 9.568 1.00 0.00 N ATOM 0 H ASN A 27 6.787 4.586 5.100 1.00 0.00 H new ATOM 0 HA ASN A 27 5.117 6.233 6.688 1.00 0.00 H new ATOM 0 HB2 ASN A 27 6.492 4.216 7.408 1.00 0.00 H new ATOM 0 HB3 ASN A 27 7.924 5.220 7.288 1.00 0.00 H new ATOM 0 HD21 ASN A 27 5.416 5.484 10.518 1.00 0.00 H new ATOM 0 HD22 ASN A 27 5.088 4.424 9.143 1.00 0.00 H new ATOM 463 N GLN A 28 7.726 7.641 5.374 1.00 0.00 N ATOM 464 CA GLN A 28 8.420 8.909 5.190 1.00 0.00 C ATOM 465 C GLN A 28 7.466 9.949 4.622 1.00 0.00 C ATOM 466 O GLN A 28 7.473 11.109 5.035 1.00 0.00 O ATOM 467 CB GLN A 28 9.624 8.731 4.261 1.00 0.00 C ATOM 468 CG GLN A 28 10.942 9.163 4.884 1.00 0.00 C ATOM 469 CD GLN A 28 10.987 10.648 5.185 1.00 0.00 C ATOM 470 OE1 GLN A 28 11.310 11.460 4.319 1.00 0.00 O ATOM 471 NE2 GLN A 28 10.661 11.011 6.420 1.00 0.00 N ATOM 0 H GLN A 28 7.992 6.915 4.709 1.00 0.00 H new ATOM 0 HA GLN A 28 8.780 9.253 6.160 1.00 0.00 H new ATOM 0 HB2 GLN A 28 9.696 7.683 3.969 1.00 0.00 H new ATOM 0 HB3 GLN A 28 9.457 9.305 3.349 1.00 0.00 H new ATOM 0 HG2 GLN A 28 11.104 8.604 5.806 1.00 0.00 H new ATOM 0 HG3 GLN A 28 11.759 8.908 4.209 1.00 0.00 H new ATOM 0 HE21 GLN A 28 10.399 10.304 7.107 1.00 0.00 H new ATOM 0 HE22 GLN A 28 10.672 11.997 6.682 1.00 0.00 H new ATOM 480 N LEU A 29 6.636 9.518 3.680 1.00 0.00 N ATOM 481 CA LEU A 29 5.660 10.402 3.062 1.00 0.00 C ATOM 482 C LEU A 29 4.704 10.934 4.116 1.00 0.00 C ATOM 483 O LEU A 29 4.494 12.142 4.232 1.00 0.00 O ATOM 484 CB LEU A 29 4.886 9.664 1.968 1.00 0.00 C ATOM 485 CG LEU A 29 4.665 10.464 0.684 1.00 0.00 C ATOM 486 CD1 LEU A 29 3.776 11.666 0.957 1.00 0.00 C ATOM 487 CD2 LEU A 29 5.998 10.903 0.092 1.00 0.00 C ATOM 0 H LEU A 29 6.621 8.561 3.328 1.00 0.00 H new ATOM 0 HA LEU A 29 6.186 11.240 2.605 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.421 8.747 1.720 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.915 9.369 2.366 1.00 0.00 H new ATOM 0 HG LEU A 29 4.164 9.824 -0.042 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.628 12.226 0.034 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.811 11.327 1.335 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.251 12.309 1.699 1.00 0.00 H new ATOM 0 HD21 LEU A 29 5.821 11.471 -0.821 1.00 0.00 H new ATOM 0 HD22 LEU A 29 6.527 11.528 0.811 1.00 0.00 H new ATOM 0 HD23 LEU A 29 6.601 10.025 -0.138 1.00 0.00 H new ATOM 499 N ASP A 30 4.148 10.020 4.902 1.00 0.00 N ATOM 500 CA ASP A 30 3.234 10.391 5.972 1.00 0.00 C ATOM 501 C ASP A 30 3.951 11.280 6.983 1.00 0.00 C ATOM 502 O ASP A 30 3.320 12.058 7.699 1.00 0.00 O ATOM 503 CB ASP A 30 2.685 9.141 6.663 1.00 0.00 C ATOM 504 CG ASP A 30 1.578 9.463 7.648 1.00 0.00 C ATOM 505 OD1 ASP A 30 0.401 9.495 7.229 1.00 0.00 O ATOM 506 OD2 ASP A 30 1.887 9.683 8.838 1.00 0.00 O ATOM 0 H ASP A 30 4.315 9.017 4.818 1.00 0.00 H new ATOM 0 HA ASP A 30 2.398 10.944 5.543 1.00 0.00 H new ATOM 0 HB2 ASP A 30 2.307 8.449 5.910 1.00 0.00 H new ATOM 0 HB3 ASP A 30 3.495 8.632 7.185 1.00 0.00 H new ATOM 511 N ASP A 31 5.278 11.169 7.024 1.00 0.00 N ATOM 512 CA ASP A 31 6.081 11.978 7.931 1.00 0.00 C ATOM 513 C ASP A 31 6.370 13.342 7.311 1.00 0.00 C ATOM 514 O ASP A 31 6.562 14.329 8.020 1.00 0.00 O ATOM 515 CB ASP A 31 7.393 11.263 8.265 1.00 0.00 C ATOM 516 CG ASP A 31 7.290 10.425 9.525 1.00 0.00 C ATOM 517 OD1 ASP A 31 6.695 10.907 10.511 1.00 0.00 O ATOM 518 OD2 ASP A 31 7.806 9.288 9.524 1.00 0.00 O ATOM 0 H ASP A 31 5.816 10.528 6.441 1.00 0.00 H new ATOM 0 HA ASP A 31 5.518 12.124 8.853 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.678 10.624 7.429 1.00 0.00 H new ATOM 0 HB3 ASP A 31 8.185 12.002 8.387 1.00 0.00 H new ATOM 523 N ASP A 32 6.387 13.387 5.982 1.00 0.00 N ATOM 524 CA ASP A 32 6.638 14.626 5.256 1.00 0.00 C ATOM 525 C ASP A 32 5.344 15.416 5.087 1.00 0.00 C ATOM 526 O ASP A 32 5.355 16.644 5.017 1.00 0.00 O ATOM 527 CB ASP A 32 7.251 14.325 3.886 1.00 0.00 C ATOM 528 CG ASP A 32 8.753 14.536 3.866 1.00 0.00 C ATOM 529 OD1 ASP A 32 9.365 14.555 4.955 1.00 0.00 O ATOM 530 OD2 ASP A 32 9.317 14.682 2.762 1.00 0.00 O ATOM 0 H ASP A 32 6.229 12.575 5.385 1.00 0.00 H new ATOM 0 HA ASP A 32 7.342 15.226 5.832 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.028 13.295 3.610 1.00 0.00 H new ATOM 0 HB3 ASP A 32 6.787 14.964 3.135 1.00 0.00 H new ATOM 535 N ILE A 33 4.228 14.696 5.030 1.00 0.00 N ATOM 536 CA ILE A 33 2.923 15.317 4.881 1.00 0.00 C ATOM 537 C ILE A 33 2.440 15.872 6.213 1.00 0.00 C ATOM 538 O ILE A 33 1.755 16.893 6.259 1.00 0.00 O ATOM 539 CB ILE A 33 1.883 14.317 4.338 1.00 0.00 C ATOM 540 CG1 ILE A 33 1.973 12.990 5.075 1.00 0.00 C ATOM 541 CG2 ILE A 33 2.062 14.116 2.842 1.00 0.00 C ATOM 542 CD1 ILE A 33 0.654 12.546 5.672 1.00 0.00 C ATOM 0 H ILE A 33 4.205 13.678 5.085 1.00 0.00 H new ATOM 0 HA ILE A 33 3.030 16.131 4.165 1.00 0.00 H new ATOM 0 HB ILE A 33 0.890 14.732 4.510 1.00 0.00 H new ATOM 0 HG12 ILE A 33 2.329 12.223 4.387 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.714 13.073 5.870 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.318 13.407 2.479 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.935 15.069 2.329 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.061 13.728 2.644 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.789 11.593 6.183 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.307 13.294 6.385 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.084 12.431 4.878 1.00 0.00 H new ATOM 554 N LYS A 34 2.815 15.201 7.298 1.00 0.00 N ATOM 555 CA LYS A 34 2.429 15.644 8.629 1.00 0.00 C ATOM 556 C LYS A 34 3.321 16.791 9.076 1.00 0.00 C ATOM 557 O LYS A 34 2.854 17.759 9.674 1.00 0.00 O ATOM 558 CB LYS A 34 2.514 14.493 9.630 1.00 0.00 C ATOM 559 CG LYS A 34 3.930 13.997 9.870 1.00 0.00 C ATOM 560 CD LYS A 34 3.967 12.898 10.921 1.00 0.00 C ATOM 561 CE LYS A 34 3.346 11.610 10.404 1.00 0.00 C ATOM 562 NZ LYS A 34 2.983 10.685 11.513 1.00 0.00 N ATOM 0 H LYS A 34 3.382 14.354 7.280 1.00 0.00 H new ATOM 0 HA LYS A 34 1.396 15.989 8.590 1.00 0.00 H new ATOM 0 HB2 LYS A 34 2.086 14.816 10.579 1.00 0.00 H new ATOM 0 HB3 LYS A 34 1.904 13.664 9.270 1.00 0.00 H new ATOM 0 HG2 LYS A 34 4.348 13.622 8.936 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.558 14.828 10.190 1.00 0.00 H new ATOM 0 HD2 LYS A 34 4.999 12.712 11.218 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.434 13.228 11.813 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.456 11.845 9.821 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.046 11.114 9.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.428 9.891 11.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 3.849 10.321 11.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.418 11.196 12.221 1.00 0.00 H new ATOM 576 N THR A 35 4.610 16.686 8.762 1.00 0.00 N ATOM 577 CA THR A 35 5.556 17.734 9.116 1.00 0.00 C ATOM 578 C THR A 35 5.241 18.996 8.324 1.00 0.00 C ATOM 579 O THR A 35 5.514 20.110 8.769 1.00 0.00 O ATOM 580 CB THR A 35 6.995 17.282 8.854 1.00 0.00 C ATOM 581 OG1 THR A 35 7.918 18.198 9.417 1.00 0.00 O ATOM 582 CG2 THR A 35 7.327 17.143 7.385 1.00 0.00 C ATOM 0 H THR A 35 5.018 15.893 8.268 1.00 0.00 H new ATOM 0 HA THR A 35 5.461 17.947 10.181 1.00 0.00 H new ATOM 0 HB THR A 35 7.075 16.300 9.320 1.00 0.00 H new ATOM 0 HG1 THR A 35 8.832 17.891 9.241 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.362 16.820 7.275 1.00 0.00 H new ATOM 0 HG22 THR A 35 6.666 16.405 6.931 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.192 18.104 6.889 1.00 0.00 H new ATOM 590 N ALA A 36 4.642 18.805 7.149 1.00 0.00 N ATOM 591 CA ALA A 36 4.264 19.920 6.294 1.00 0.00 C ATOM 592 C ALA A 36 2.874 20.427 6.665 1.00 0.00 C ATOM 593 O ALA A 36 2.541 21.587 6.427 1.00 0.00 O ATOM 594 CB ALA A 36 4.305 19.503 4.831 1.00 0.00 C ATOM 0 H ALA A 36 4.410 17.887 6.771 1.00 0.00 H new ATOM 0 HA ALA A 36 4.978 20.730 6.443 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.020 20.348 4.204 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.314 19.183 4.572 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.610 18.679 4.668 1.00 0.00 H new ATOM 600 N GLU A 37 2.067 19.548 7.260 1.00 0.00 N ATOM 601 CA GLU A 37 0.717 19.909 7.674 1.00 0.00 C ATOM 602 C GLU A 37 0.741 20.651 9.008 1.00 0.00 C ATOM 603 O GLU A 37 -0.200 21.369 9.347 1.00 0.00 O ATOM 604 CB GLU A 37 -0.154 18.657 7.790 1.00 0.00 C ATOM 605 CG GLU A 37 -0.922 18.328 6.520 1.00 0.00 C ATOM 606 CD GLU A 37 -1.877 17.165 6.701 1.00 0.00 C ATOM 607 OE1 GLU A 37 -1.399 16.031 6.909 1.00 0.00 O ATOM 608 OE2 GLU A 37 -3.104 17.389 6.634 1.00 0.00 O ATOM 0 H GLU A 37 2.327 18.583 7.464 1.00 0.00 H new ATOM 0 HA GLU A 37 0.293 20.569 6.917 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.478 17.808 8.052 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.862 18.792 8.608 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -1.482 19.207 6.201 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.216 18.093 5.723 1.00 0.00 H new ATOM 615 N GLN A 38 1.822 20.471 9.762 1.00 0.00 N ATOM 616 CA GLN A 38 1.970 21.119 11.059 1.00 0.00 C ATOM 617 C GLN A 38 1.851 22.634 10.932 1.00 0.00 C ATOM 618 O GLN A 38 1.212 23.287 11.757 1.00 0.00 O ATOM 619 CB GLN A 38 3.317 20.752 11.684 1.00 0.00 C ATOM 620 CG GLN A 38 3.262 19.513 12.563 1.00 0.00 C ATOM 621 CD GLN A 38 4.467 18.612 12.375 1.00 0.00 C ATOM 622 OE1 GLN A 38 4.216 17.341 12.082 1.00 0.00 O flip ATOM 623 NE2 GLN A 38 5.611 19.053 12.492 1.00 0.00 N flip ATOM 0 H GLN A 38 2.609 19.880 9.495 1.00 0.00 H new ATOM 0 HA GLN A 38 1.167 20.765 11.706 1.00 0.00 H new ATOM 0 HB2 GLN A 38 4.045 20.591 10.889 1.00 0.00 H new ATOM 0 HB3 GLN A 38 3.674 21.593 12.278 1.00 0.00 H new ATOM 0 HG2 GLN A 38 3.199 19.816 13.608 1.00 0.00 H new ATOM 0 HG3 GLN A 38 2.355 18.952 12.338 1.00 0.00 H new ATOM 0 HE21 GLN A 38 5.758 20.037 12.718 1.00 0.00 H new ATOM 0 HE22 GLN A 38 6.412 18.434 12.363 1.00 0.00 H new ATOM 632 N GLN A 39 2.472 23.192 9.895 1.00 0.00 N ATOM 633 CA GLN A 39 2.430 24.633 9.672 1.00 0.00 C ATOM 634 C GLN A 39 1.795 24.964 8.326 1.00 0.00 C ATOM 635 O GLN A 39 1.254 26.054 8.138 1.00 0.00 O ATOM 636 CB GLN A 39 3.844 25.221 9.740 1.00 0.00 C ATOM 637 CG GLN A 39 4.701 24.902 8.524 1.00 0.00 C ATOM 638 CD GLN A 39 5.483 23.613 8.682 1.00 0.00 C ATOM 639 OE1 GLN A 39 6.150 23.399 9.695 1.00 0.00 O ATOM 640 NE2 GLN A 39 5.405 22.746 7.680 1.00 0.00 N ATOM 0 H GLN A 39 3.007 22.671 9.200 1.00 0.00 H new ATOM 0 HA GLN A 39 1.818 25.076 10.457 1.00 0.00 H new ATOM 0 HB2 GLN A 39 3.773 26.303 9.849 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.342 24.843 10.633 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.063 24.829 7.644 1.00 0.00 H new ATOM 0 HG3 GLN A 39 5.395 25.724 8.348 1.00 0.00 H new ATOM 0 HE21 GLN A 39 4.840 22.965 6.859 1.00 0.00 H new ATOM 0 HE22 GLN A 39 5.910 21.861 7.731 1.00 0.00 H new ATOM 649 N ASN A 40 1.877 24.023 7.387 1.00 0.00 N ATOM 650 CA ASN A 40 1.321 24.224 6.056 1.00 0.00 C ATOM 651 C ASN A 40 2.065 25.339 5.336 1.00 0.00 C ATOM 652 O ASN A 40 1.457 26.273 4.812 1.00 0.00 O ATOM 653 CB ASN A 40 -0.167 24.557 6.147 1.00 0.00 C ATOM 654 CG ASN A 40 -1.040 23.318 6.102 1.00 0.00 C ATOM 655 OD1 ASN A 40 -0.975 22.511 7.155 1.00 0.00 O flip ATOM 656 ND2 ASN A 40 -1.765 23.088 5.134 1.00 0.00 N flip ATOM 0 H ASN A 40 2.323 23.116 7.526 1.00 0.00 H new ATOM 0 HA ASN A 40 1.438 23.301 5.488 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -0.359 25.100 7.072 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -0.439 25.220 5.326 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -1.784 23.735 4.346 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -2.347 22.250 5.120 1.00 0.00 H new ATOM 663 N ALA A 41 3.392 25.232 5.315 1.00 0.00 N ATOM 664 CA ALA A 41 4.236 26.229 4.659 1.00 0.00 C ATOM 665 C ALA A 41 3.667 26.634 3.302 1.00 0.00 C ATOM 666 O ALA A 41 3.856 27.763 2.849 1.00 0.00 O ATOM 667 CB ALA A 41 5.652 25.695 4.502 1.00 0.00 C ATOM 0 H ALA A 41 3.907 24.464 5.745 1.00 0.00 H new ATOM 0 HA ALA A 41 4.259 27.118 5.289 1.00 0.00 H new ATOM 0 HB1 ALA A 41 6.272 26.446 4.012 1.00 0.00 H new ATOM 0 HB2 ALA A 41 6.066 25.467 5.484 1.00 0.00 H new ATOM 0 HB3 ALA A 41 5.634 24.789 3.897 1.00 0.00 H new ATOM 673 N SER A 42 2.965 25.704 2.661 1.00 0.00 N ATOM 674 CA SER A 42 2.363 25.963 1.359 1.00 0.00 C ATOM 675 C SER A 42 1.286 24.930 1.041 1.00 0.00 C ATOM 676 O SER A 42 1.547 23.727 1.035 1.00 0.00 O ATOM 677 CB SER A 42 3.435 25.958 0.267 1.00 0.00 C ATOM 678 OG SER A 42 3.405 27.159 -0.484 1.00 0.00 O ATOM 0 H SER A 42 2.800 24.765 3.023 1.00 0.00 H new ATOM 0 HA SER A 42 1.895 26.947 1.392 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.419 25.833 0.720 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.279 25.107 -0.396 1.00 0.00 H new ATOM 0 HG SER A 42 4.101 27.131 -1.174 1.00 0.00 H new ATOM 684 N ASP A 43 0.074 25.408 0.773 1.00 0.00 N ATOM 685 CA ASP A 43 -1.044 24.529 0.447 1.00 0.00 C ATOM 686 C ASP A 43 -0.662 23.578 -0.677 1.00 0.00 C ATOM 687 O ASP A 43 -0.875 22.369 -0.586 1.00 0.00 O ATOM 688 CB ASP A 43 -2.271 25.351 0.047 1.00 0.00 C ATOM 689 CG ASP A 43 -3.555 24.798 0.634 1.00 0.00 C ATOM 690 OD1 ASP A 43 -3.584 24.534 1.854 1.00 0.00 O ATOM 691 OD2 ASP A 43 -4.531 24.629 -0.126 1.00 0.00 O ATOM 0 H ASP A 43 -0.159 26.401 0.775 1.00 0.00 H new ATOM 0 HA ASP A 43 -1.290 23.943 1.332 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -2.138 26.381 0.377 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -2.352 25.373 -1.040 1.00 0.00 H new ATOM 696 N ALA A 44 -0.080 24.135 -1.730 1.00 0.00 N ATOM 697 CA ALA A 44 0.355 23.341 -2.868 1.00 0.00 C ATOM 698 C ALA A 44 1.431 22.352 -2.437 1.00 0.00 C ATOM 699 O ALA A 44 1.573 21.276 -3.018 1.00 0.00 O ATOM 700 CB ALA A 44 0.873 24.242 -3.979 1.00 0.00 C ATOM 0 H ALA A 44 0.101 25.135 -1.819 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.499 22.782 -3.251 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.194 23.631 -4.823 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.079 24.916 -4.301 1.00 0.00 H new ATOM 0 HB3 ALA A 44 1.717 24.825 -3.611 1.00 0.00 H new ATOM 706 N GLU A 45 2.182 22.724 -1.402 1.00 0.00 N ATOM 707 CA GLU A 45 3.240 21.872 -0.879 1.00 0.00 C ATOM 708 C GLU A 45 2.656 20.761 -0.022 1.00 0.00 C ATOM 709 O GLU A 45 3.081 19.608 -0.105 1.00 0.00 O ATOM 710 CB GLU A 45 4.232 22.694 -0.052 1.00 0.00 C ATOM 711 CG GLU A 45 5.147 23.568 -0.894 1.00 0.00 C ATOM 712 CD GLU A 45 6.460 22.887 -1.228 1.00 0.00 C ATOM 713 OE1 GLU A 45 6.423 21.766 -1.778 1.00 0.00 O ATOM 714 OE2 GLU A 45 7.524 23.474 -0.940 1.00 0.00 O ATOM 0 H GLU A 45 2.075 23.611 -0.911 1.00 0.00 H new ATOM 0 HA GLU A 45 3.766 21.428 -1.724 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.678 23.325 0.643 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.840 22.017 0.548 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.636 23.837 -1.819 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.349 24.496 -0.360 1.00 0.00 H new ATOM 721 N VAL A 46 1.676 21.113 0.801 1.00 0.00 N ATOM 722 CA VAL A 46 1.033 20.138 1.671 1.00 0.00 C ATOM 723 C VAL A 46 0.048 19.275 0.892 1.00 0.00 C ATOM 724 O VAL A 46 -0.229 18.137 1.270 1.00 0.00 O ATOM 725 CB VAL A 46 0.293 20.816 2.840 1.00 0.00 C ATOM 726 CG1 VAL A 46 -0.122 19.781 3.875 1.00 0.00 C ATOM 727 CG2 VAL A 46 1.158 21.898 3.473 1.00 0.00 C ATOM 0 H VAL A 46 1.311 22.062 0.884 1.00 0.00 H new ATOM 0 HA VAL A 46 1.826 19.509 2.076 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.606 21.291 2.449 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.644 20.275 4.695 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.784 19.049 3.412 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.764 19.276 4.260 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.615 22.363 4.296 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.078 21.453 3.851 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.400 22.654 2.726 1.00 0.00 H new ATOM 737 N SER A 47 -0.475 19.821 -0.202 1.00 0.00 N ATOM 738 CA SER A 47 -1.427 19.094 -1.035 1.00 0.00 C ATOM 739 C SER A 47 -0.705 18.198 -2.029 1.00 0.00 C ATOM 740 O SER A 47 -1.247 17.188 -2.478 1.00 0.00 O ATOM 741 CB SER A 47 -2.346 20.068 -1.775 1.00 0.00 C ATOM 742 OG SER A 47 -1.693 20.632 -2.899 1.00 0.00 O ATOM 0 H SER A 47 -0.256 20.761 -0.531 1.00 0.00 H new ATOM 0 HA SER A 47 -2.033 18.466 -0.383 1.00 0.00 H new ATOM 0 HB2 SER A 47 -3.248 19.548 -2.098 1.00 0.00 H new ATOM 0 HB3 SER A 47 -2.661 20.862 -1.097 1.00 0.00 H new ATOM 0 HG SER A 47 -2.302 21.250 -3.355 1.00 0.00 H new ATOM 748 N HIS A 48 0.521 18.567 -2.363 1.00 0.00 N ATOM 749 CA HIS A 48 1.321 17.792 -3.294 1.00 0.00 C ATOM 750 C HIS A 48 1.956 16.603 -2.588 1.00 0.00 C ATOM 751 O HIS A 48 2.190 15.558 -3.195 1.00 0.00 O ATOM 752 CB HIS A 48 2.395 18.680 -3.906 1.00 0.00 C ATOM 753 CG HIS A 48 3.223 17.994 -4.949 1.00 0.00 C ATOM 754 ND1 HIS A 48 4.601 18.048 -4.973 1.00 0.00 N ATOM 755 CD2 HIS A 48 2.860 17.235 -6.010 1.00 0.00 C ATOM 756 CE1 HIS A 48 5.048 17.353 -6.003 1.00 0.00 C ATOM 757 NE2 HIS A 48 4.012 16.849 -6.648 1.00 0.00 N ATOM 0 H HIS A 48 0.984 19.401 -2.001 1.00 0.00 H new ATOM 0 HA HIS A 48 0.676 17.413 -4.087 1.00 0.00 H new ATOM 0 HB2 HIS A 48 1.921 19.555 -4.350 1.00 0.00 H new ATOM 0 HB3 HIS A 48 3.051 19.040 -3.113 1.00 0.00 H new ATOM 0 HD2 HIS A 48 1.851 16.981 -6.300 1.00 0.00 H new ATOM 0 HE1 HIS A 48 6.085 17.219 -6.272 1.00 0.00 H new ATOM 0 HE2 HIS A 48 4.060 16.267 -7.484 1.00 0.00 H new ATOM 766 N MET A 49 2.225 16.768 -1.296 1.00 0.00 N ATOM 767 CA MET A 49 2.823 15.705 -0.503 1.00 0.00 C ATOM 768 C MET A 49 1.828 14.573 -0.295 1.00 0.00 C ATOM 769 O MET A 49 2.187 13.399 -0.362 1.00 0.00 O ATOM 770 CB MET A 49 3.295 16.245 0.848 1.00 0.00 C ATOM 771 CG MET A 49 4.360 17.325 0.735 1.00 0.00 C ATOM 772 SD MET A 49 5.973 16.779 1.327 1.00 0.00 S ATOM 773 CE MET A 49 6.402 15.571 0.076 1.00 0.00 C ATOM 0 H MET A 49 2.038 17.627 -0.779 1.00 0.00 H new ATOM 0 HA MET A 49 3.686 15.318 -1.045 1.00 0.00 H new ATOM 0 HB2 MET A 49 2.438 16.647 1.388 1.00 0.00 H new ATOM 0 HB3 MET A 49 3.688 15.420 1.442 1.00 0.00 H new ATOM 0 HG2 MET A 49 4.446 17.636 -0.306 1.00 0.00 H new ATOM 0 HG3 MET A 49 4.046 18.200 1.304 1.00 0.00 H new ATOM 0 HE1 MET A 49 7.386 15.155 0.294 1.00 0.00 H new ATOM 0 HE2 MET A 49 5.662 14.771 0.074 1.00 0.00 H new ATOM 0 HE3 MET A 49 6.420 16.051 -0.902 1.00 0.00 H new ATOM 783 N LYS A 50 0.572 14.929 -0.053 1.00 0.00 N ATOM 784 CA LYS A 50 -0.464 13.930 0.152 1.00 0.00 C ATOM 785 C LYS A 50 -0.646 13.090 -1.100 1.00 0.00 C ATOM 786 O LYS A 50 -0.905 11.890 -1.019 1.00 0.00 O ATOM 787 CB LYS A 50 -1.788 14.581 0.524 1.00 0.00 C ATOM 788 CG LYS A 50 -1.707 15.489 1.740 1.00 0.00 C ATOM 789 CD LYS A 50 -2.830 16.512 1.747 1.00 0.00 C ATOM 790 CE LYS A 50 -3.991 16.058 2.616 1.00 0.00 C ATOM 791 NZ LYS A 50 -4.946 17.167 2.891 1.00 0.00 N ATOM 0 H LYS A 50 0.250 15.895 0.005 1.00 0.00 H new ATOM 0 HA LYS A 50 -0.148 13.289 0.975 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -2.149 15.160 -0.326 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -2.525 13.801 0.714 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.755 14.888 2.648 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.746 16.003 1.748 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.452 17.467 2.113 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -3.180 16.677 0.728 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -4.516 15.241 2.122 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -3.608 15.667 3.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -5.723 16.816 3.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -4.451 17.937 3.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -5.332 17.524 1.993 1.00 0.00 H new ATOM 805 N LYS A 51 -0.496 13.718 -2.263 1.00 0.00 N ATOM 806 CA LYS A 51 -0.628 13.003 -3.524 1.00 0.00 C ATOM 807 C LYS A 51 0.307 11.803 -3.531 1.00 0.00 C ATOM 808 O LYS A 51 0.006 10.764 -4.119 1.00 0.00 O ATOM 809 CB LYS A 51 -0.316 13.925 -4.704 1.00 0.00 C ATOM 810 CG LYS A 51 -1.399 14.959 -4.971 1.00 0.00 C ATOM 811 CD LYS A 51 -1.108 15.755 -6.232 1.00 0.00 C ATOM 812 CE LYS A 51 -2.316 16.566 -6.672 1.00 0.00 C ATOM 813 NZ LYS A 51 -2.106 17.198 -8.004 1.00 0.00 N ATOM 0 H LYS A 51 -0.285 14.712 -2.356 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.657 12.658 -3.626 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.626 14.439 -4.514 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.174 13.320 -5.600 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -2.364 14.461 -5.068 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.474 15.637 -4.121 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -0.265 16.423 -6.055 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -0.814 15.076 -7.032 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.193 15.919 -6.711 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.523 17.339 -5.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.952 17.742 -8.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -1.285 17.835 -7.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -1.934 16.459 -8.715 1.00 0.00 H new ATOM 827 N GLN A 52 1.438 11.954 -2.847 1.00 0.00 N ATOM 828 CA GLN A 52 2.414 10.882 -2.742 1.00 0.00 C ATOM 829 C GLN A 52 1.984 9.877 -1.676 1.00 0.00 C ATOM 830 O GLN A 52 2.430 8.731 -1.676 1.00 0.00 O ATOM 831 CB GLN A 52 3.794 11.449 -2.403 1.00 0.00 C ATOM 832 CG GLN A 52 4.633 11.778 -3.627 1.00 0.00 C ATOM 833 CD GLN A 52 5.593 10.662 -3.992 1.00 0.00 C ATOM 834 OE1 GLN A 52 5.963 9.845 -3.149 1.00 0.00 O ATOM 835 NE2 GLN A 52 6.002 10.623 -5.255 1.00 0.00 N ATOM 0 H GLN A 52 1.698 12.811 -2.358 1.00 0.00 H new ATOM 0 HA GLN A 52 2.472 10.372 -3.703 1.00 0.00 H new ATOM 0 HB2 GLN A 52 3.670 12.351 -1.804 1.00 0.00 H new ATOM 0 HB3 GLN A 52 4.332 10.729 -1.787 1.00 0.00 H new ATOM 0 HG2 GLN A 52 3.974 11.977 -4.472 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.197 12.692 -3.441 1.00 0.00 H new ATOM 0 HE21 GLN A 52 5.670 11.321 -5.921 1.00 0.00 H new ATOM 0 HE22 GLN A 52 6.649 9.895 -5.559 1.00 0.00 H new ATOM 844 N LYS A 53 1.104 10.311 -0.770 1.00 0.00 N ATOM 845 CA LYS A 53 0.609 9.445 0.291 1.00 0.00 C ATOM 846 C LYS A 53 -0.166 8.273 -0.292 1.00 0.00 C ATOM 847 O LYS A 53 0.223 7.114 -0.143 1.00 0.00 O ATOM 848 CB LYS A 53 -0.298 10.233 1.230 1.00 0.00 C ATOM 849 CG LYS A 53 -0.369 9.660 2.635 1.00 0.00 C ATOM 850 CD LYS A 53 -1.511 8.666 2.774 1.00 0.00 C ATOM 851 CE LYS A 53 -2.698 9.277 3.504 1.00 0.00 C ATOM 852 NZ LYS A 53 -2.609 9.074 4.976 1.00 0.00 N ATOM 0 H LYS A 53 0.723 11.257 -0.754 1.00 0.00 H new ATOM 0 HA LYS A 53 1.465 9.063 0.847 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.057 11.262 1.285 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.303 10.264 0.809 1.00 0.00 H new ATOM 0 HG2 LYS A 53 0.574 9.169 2.877 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -0.500 10.469 3.353 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.824 8.330 1.786 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -1.164 7.785 3.315 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.747 10.344 3.287 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.621 8.833 3.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -3.436 9.505 5.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.587 8.056 5.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -1.741 9.520 5.336 1.00 0.00 H new ATOM 866 N LEU A 54 -1.263 8.592 -0.964 1.00 0.00 N ATOM 867 CA LEU A 54 -2.104 7.582 -1.589 1.00 0.00 C ATOM 868 C LEU A 54 -1.302 6.794 -2.613 1.00 0.00 C ATOM 869 O LEU A 54 -1.626 5.649 -2.927 1.00 0.00 O ATOM 870 CB LEU A 54 -3.314 8.233 -2.261 1.00 0.00 C ATOM 871 CG LEU A 54 -4.312 7.255 -2.888 1.00 0.00 C ATOM 872 CD1 LEU A 54 -5.511 7.056 -1.975 1.00 0.00 C ATOM 873 CD2 LEU A 54 -4.757 7.749 -4.257 1.00 0.00 C ATOM 0 H LEU A 54 -1.593 9.549 -1.091 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.460 6.901 -0.816 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.838 8.839 -1.522 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.958 8.912 -3.036 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.816 6.293 -3.016 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.209 6.358 -2.438 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.177 6.655 -1.018 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.008 8.013 -1.814 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.466 7.041 -4.687 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -5.234 8.724 -4.155 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.890 7.837 -4.912 1.00 0.00 H new ATOM 885 N LYS A 55 -0.241 7.414 -3.119 1.00 0.00 N ATOM 886 CA LYS A 55 0.618 6.764 -4.095 1.00 0.00 C ATOM 887 C LYS A 55 1.537 5.788 -3.391 1.00 0.00 C ATOM 888 O LYS A 55 1.642 4.624 -3.776 1.00 0.00 O ATOM 889 CB LYS A 55 1.429 7.794 -4.882 1.00 0.00 C ATOM 890 CG LYS A 55 0.658 8.426 -6.032 1.00 0.00 C ATOM 891 CD LYS A 55 1.332 8.165 -7.370 1.00 0.00 C ATOM 892 CE LYS A 55 0.625 7.065 -8.144 1.00 0.00 C ATOM 893 NZ LYS A 55 0.930 7.125 -9.601 1.00 0.00 N ATOM 0 H LYS A 55 0.042 8.362 -2.869 1.00 0.00 H new ATOM 0 HA LYS A 55 -0.006 6.220 -4.805 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.760 8.579 -4.203 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.325 7.315 -5.276 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.357 8.029 -6.052 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.577 9.501 -5.869 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.338 9.081 -7.961 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.373 7.885 -7.206 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.925 6.094 -7.750 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.451 7.151 -7.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 0.428 6.358 -10.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.621 8.042 -9.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.954 7.018 -9.746 1.00 0.00 H new ATOM 907 N LEU A 56 2.168 6.257 -2.325 1.00 0.00 N ATOM 908 CA LEU A 56 3.036 5.406 -1.539 1.00 0.00 C ATOM 909 C LEU A 56 2.186 4.450 -0.711 1.00 0.00 C ATOM 910 O LEU A 56 2.703 3.520 -0.094 1.00 0.00 O ATOM 911 CB LEU A 56 3.946 6.239 -0.635 1.00 0.00 C ATOM 912 CG LEU A 56 5.327 6.544 -1.219 1.00 0.00 C ATOM 913 CD1 LEU A 56 5.197 7.182 -2.593 1.00 0.00 C ATOM 914 CD2 LEU A 56 6.112 7.446 -0.281 1.00 0.00 C ATOM 0 H LEU A 56 2.093 7.217 -1.989 1.00 0.00 H new ATOM 0 HA LEU A 56 3.675 4.832 -2.211 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.446 7.181 -0.410 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.075 5.713 0.311 1.00 0.00 H new ATOM 0 HG LEU A 56 5.871 5.606 -1.329 1.00 0.00 H new ATOM 0 HD11 LEU A 56 6.189 7.392 -2.992 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.673 6.500 -3.263 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.635 8.112 -2.510 1.00 0.00 H new ATOM 0 HD21 LEU A 56 7.092 7.653 -0.711 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.572 8.382 -0.140 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.236 6.950 0.682 1.00 0.00 H new ATOM 926 N LYS A 57 0.867 4.666 -0.730 1.00 0.00 N ATOM 927 CA LYS A 57 -0.045 3.794 -0.009 1.00 0.00 C ATOM 928 C LYS A 57 -0.418 2.626 -0.904 1.00 0.00 C ATOM 929 O LYS A 57 -0.589 1.499 -0.445 1.00 0.00 O ATOM 930 CB LYS A 57 -1.306 4.547 0.421 1.00 0.00 C ATOM 931 CG LYS A 57 -2.389 3.641 0.994 1.00 0.00 C ATOM 932 CD LYS A 57 -2.358 3.630 2.513 1.00 0.00 C ATOM 933 CE LYS A 57 -3.254 2.542 3.082 1.00 0.00 C ATOM 934 NZ LYS A 57 -2.545 1.237 3.185 1.00 0.00 N ATOM 0 H LYS A 57 0.417 5.431 -1.233 1.00 0.00 H new ATOM 0 HA LYS A 57 0.450 3.433 0.892 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.037 5.295 1.167 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.709 5.084 -0.437 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.367 3.979 0.651 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.253 2.627 0.619 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.335 3.476 2.856 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.678 4.601 2.891 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -3.608 2.842 4.068 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -4.134 2.428 2.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -3.204 0.510 3.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.185 0.963 2.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.750 1.326 3.849 1.00 0.00 H new ATOM 948 N ASP A 58 -0.537 2.916 -2.194 1.00 0.00 N ATOM 949 CA ASP A 58 -0.880 1.906 -3.180 1.00 0.00 C ATOM 950 C ASP A 58 0.077 0.729 -3.091 1.00 0.00 C ATOM 951 O ASP A 58 -0.325 -0.415 -3.255 1.00 0.00 O ATOM 952 CB ASP A 58 -0.849 2.502 -4.588 1.00 0.00 C ATOM 953 CG ASP A 58 -1.916 3.559 -4.792 1.00 0.00 C ATOM 954 OD1 ASP A 58 -2.966 3.481 -4.120 1.00 0.00 O ATOM 955 OD2 ASP A 58 -1.704 4.465 -5.626 1.00 0.00 O ATOM 0 H ASP A 58 -0.399 3.850 -2.581 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.890 1.552 -2.971 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.132 2.940 -4.773 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.986 1.706 -5.320 1.00 0.00 H new ATOM 960 N GLU A 59 1.348 1.017 -2.821 1.00 0.00 N ATOM 961 CA GLU A 59 2.356 -0.033 -2.706 1.00 0.00 C ATOM 962 C GLU A 59 2.132 -0.865 -1.449 1.00 0.00 C ATOM 963 O GLU A 59 2.322 -2.082 -1.453 1.00 0.00 O ATOM 964 CB GLU A 59 3.758 0.572 -2.682 1.00 0.00 C ATOM 965 CG GLU A 59 3.901 1.751 -1.735 1.00 0.00 C ATOM 966 CD GLU A 59 5.349 2.089 -1.438 1.00 0.00 C ATOM 967 OE1 GLU A 59 6.120 2.286 -2.401 1.00 0.00 O ATOM 968 OE2 GLU A 59 5.711 2.155 -0.246 1.00 0.00 O ATOM 0 H GLU A 59 1.703 1.963 -2.679 1.00 0.00 H new ATOM 0 HA GLU A 59 2.264 -0.683 -3.576 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.472 -0.200 -2.396 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.022 0.893 -3.690 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.410 2.622 -2.169 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.385 1.527 -0.801 1.00 0.00 H new ATOM 975 N ILE A 60 1.718 -0.201 -0.377 1.00 0.00 N ATOM 976 CA ILE A 60 1.455 -0.871 0.888 1.00 0.00 C ATOM 977 C ILE A 60 0.125 -1.603 0.816 1.00 0.00 C ATOM 978 O ILE A 60 -0.020 -2.702 1.344 1.00 0.00 O ATOM 979 CB ILE A 60 1.434 0.134 2.064 1.00 0.00 C ATOM 980 CG1 ILE A 60 2.860 0.564 2.424 1.00 0.00 C ATOM 981 CG2 ILE A 60 0.727 -0.450 3.287 1.00 0.00 C ATOM 982 CD1 ILE A 60 3.675 -0.516 3.107 1.00 0.00 C ATOM 0 H ILE A 60 1.557 0.806 -0.360 1.00 0.00 H new ATOM 0 HA ILE A 60 2.259 -1.585 1.066 1.00 0.00 H new ATOM 0 HB ILE A 60 0.872 1.011 1.743 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.376 0.874 1.515 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.812 1.436 3.076 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.731 0.283 4.094 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.302 -0.699 3.028 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.247 -1.351 3.612 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.671 -0.134 3.329 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.184 -0.810 4.035 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.756 -1.381 2.449 1.00 0.00 H new ATOM 994 N HIS A 61 -0.838 -0.988 0.141 1.00 0.00 N ATOM 995 CA HIS A 61 -2.154 -1.588 -0.020 1.00 0.00 C ATOM 996 C HIS A 61 -2.095 -2.665 -1.088 1.00 0.00 C ATOM 997 O HIS A 61 -2.761 -3.696 -0.988 1.00 0.00 O ATOM 998 CB HIS A 61 -3.189 -0.525 -0.395 1.00 0.00 C ATOM 999 CG HIS A 61 -4.604 -0.972 -0.196 1.00 0.00 C ATOM 1000 ND1 HIS A 61 -4.939 -2.151 0.434 1.00 0.00 N ATOM 1001 CD2 HIS A 61 -5.775 -0.389 -0.548 1.00 0.00 C ATOM 1002 CE1 HIS A 61 -6.254 -2.276 0.462 1.00 0.00 C ATOM 1003 NE2 HIS A 61 -6.784 -1.220 -0.127 1.00 0.00 N ATOM 0 H HIS A 61 -0.732 -0.076 -0.303 1.00 0.00 H new ATOM 0 HA HIS A 61 -2.455 -2.037 0.926 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -3.012 0.370 0.202 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -3.048 -0.245 -1.439 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -5.893 0.553 -1.063 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -6.802 -3.101 0.893 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -7.782 -1.049 -0.250 1.00 0.00 H new ATOM 1012 N SER A 62 -1.276 -2.422 -2.103 1.00 0.00 N ATOM 1013 CA SER A 62 -1.110 -3.378 -3.187 1.00 0.00 C ATOM 1014 C SER A 62 -0.479 -4.658 -2.665 1.00 0.00 C ATOM 1015 O SER A 62 -0.770 -5.746 -3.165 1.00 0.00 O ATOM 1016 CB SER A 62 -0.246 -2.798 -4.308 1.00 0.00 C ATOM 1017 OG SER A 62 -0.984 -1.882 -5.100 1.00 0.00 O ATOM 0 H SER A 62 -0.718 -1.573 -2.197 1.00 0.00 H new ATOM 0 HA SER A 62 -2.097 -3.599 -3.593 1.00 0.00 H new ATOM 0 HB2 SER A 62 0.622 -2.296 -3.880 1.00 0.00 H new ATOM 0 HB3 SER A 62 0.130 -3.605 -4.936 1.00 0.00 H new ATOM 0 HG SER A 62 -1.193 -1.085 -4.569 1.00 0.00 H new ATOM 1023 N MET A 63 0.386 -4.538 -1.655 1.00 0.00 N ATOM 1024 CA MET A 63 1.033 -5.721 -1.095 1.00 0.00 C ATOM 1025 C MET A 63 -0.007 -6.708 -0.574 1.00 0.00 C ATOM 1026 O MET A 63 0.117 -7.916 -0.771 1.00 0.00 O ATOM 1027 CB MET A 63 1.996 -5.341 0.025 1.00 0.00 C ATOM 1028 CG MET A 63 3.005 -6.433 0.347 1.00 0.00 C ATOM 1029 SD MET A 63 4.048 -6.853 -1.061 1.00 0.00 S ATOM 1030 CE MET A 63 5.574 -7.288 -0.232 1.00 0.00 C ATOM 0 H MET A 63 0.649 -3.654 -1.218 1.00 0.00 H new ATOM 0 HA MET A 63 1.602 -6.197 -1.894 1.00 0.00 H new ATOM 0 HB2 MET A 63 2.530 -4.434 -0.257 1.00 0.00 H new ATOM 0 HB3 MET A 63 1.424 -5.108 0.923 1.00 0.00 H new ATOM 0 HG2 MET A 63 3.634 -6.108 1.176 1.00 0.00 H new ATOM 0 HG3 MET A 63 2.475 -7.325 0.680 1.00 0.00 H new ATOM 0 HE1 MET A 63 6.293 -7.657 -0.963 1.00 0.00 H new ATOM 0 HE2 MET A 63 5.981 -6.408 0.266 1.00 0.00 H new ATOM 0 HE3 MET A 63 5.378 -8.064 0.507 1.00 0.00 H new ATOM 1040 N ILE A 64 -1.040 -6.186 0.086 1.00 0.00 N ATOM 1041 CA ILE A 64 -2.104 -7.027 0.623 1.00 0.00 C ATOM 1042 C ILE A 64 -2.816 -7.768 -0.502 1.00 0.00 C ATOM 1043 O ILE A 64 -3.146 -8.947 -0.372 1.00 0.00 O ATOM 1044 CB ILE A 64 -3.131 -6.200 1.422 1.00 0.00 C ATOM 1045 CG1 ILE A 64 -2.468 -5.586 2.654 1.00 0.00 C ATOM 1046 CG2 ILE A 64 -4.322 -7.059 1.829 1.00 0.00 C ATOM 1047 CD1 ILE A 64 -2.177 -4.108 2.499 1.00 0.00 C ATOM 0 H ILE A 64 -1.161 -5.188 0.260 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.640 -7.746 1.298 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.497 -5.397 0.783 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.115 -5.734 3.519 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -1.537 -6.114 2.859 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -5.032 -6.453 2.391 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -4.808 -7.453 0.937 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.979 -7.886 2.451 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.707 -3.733 3.408 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.506 -3.956 1.654 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.109 -3.570 2.324 1.00 0.00 H new ATOM 1059 N ILE A 65 -3.037 -7.073 -1.613 1.00 0.00 N ATOM 1060 CA ILE A 65 -3.693 -7.674 -2.767 1.00 0.00 C ATOM 1061 C ILE A 65 -2.943 -8.923 -3.202 1.00 0.00 C ATOM 1062 O ILE A 65 -3.540 -9.970 -3.451 1.00 0.00 O ATOM 1063 CB ILE A 65 -3.764 -6.694 -3.952 1.00 0.00 C ATOM 1064 CG1 ILE A 65 -4.362 -5.355 -3.510 1.00 0.00 C ATOM 1065 CG2 ILE A 65 -4.575 -7.294 -5.091 1.00 0.00 C ATOM 1066 CD1 ILE A 65 -5.712 -5.487 -2.837 1.00 0.00 C ATOM 0 H ILE A 65 -2.772 -6.096 -1.738 1.00 0.00 H new ATOM 0 HA ILE A 65 -4.709 -7.932 -2.468 1.00 0.00 H new ATOM 0 HB ILE A 65 -2.750 -6.513 -4.310 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -3.670 -4.866 -2.824 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.461 -4.706 -4.380 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.615 -6.588 -5.920 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.105 -8.219 -5.424 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.587 -7.505 -4.745 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.074 -4.499 -2.551 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.419 -5.947 -3.527 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.616 -6.110 -1.948 1.00 0.00 H new ATOM 1078 N GLU A 66 -1.623 -8.808 -3.268 1.00 0.00 N ATOM 1079 CA GLU A 66 -0.779 -9.929 -3.643 1.00 0.00 C ATOM 1080 C GLU A 66 -0.651 -10.901 -2.474 1.00 0.00 C ATOM 1081 O GLU A 66 -0.267 -12.057 -2.653 1.00 0.00 O ATOM 1082 CB GLU A 66 0.604 -9.436 -4.070 1.00 0.00 C ATOM 1083 CG GLU A 66 0.561 -8.264 -5.037 1.00 0.00 C ATOM 1084 CD GLU A 66 1.930 -7.660 -5.283 1.00 0.00 C ATOM 1085 OE1 GLU A 66 2.386 -6.861 -4.437 1.00 0.00 O ATOM 1086 OE2 GLU A 66 2.546 -7.986 -6.318 1.00 0.00 O ATOM 0 H GLU A 66 -1.115 -7.947 -3.066 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.239 -10.446 -4.485 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.166 -9.144 -3.183 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.147 -10.259 -4.534 1.00 0.00 H new ATOM 0 HG2 GLU A 66 0.139 -8.596 -5.986 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.105 -7.497 -4.643 1.00 0.00 H new ATOM 1093 N TYR A 67 -0.981 -10.420 -1.274 1.00 0.00 N ATOM 1094 CA TYR A 67 -0.907 -11.244 -0.074 1.00 0.00 C ATOM 1095 C TYR A 67 -2.159 -12.102 0.076 1.00 0.00 C ATOM 1096 O TYR A 67 -2.092 -13.240 0.540 1.00 0.00 O ATOM 1097 CB TYR A 67 -0.731 -10.368 1.165 1.00 0.00 C ATOM 1098 CG TYR A 67 -0.043 -11.070 2.314 1.00 0.00 C ATOM 1099 CD1 TYR A 67 -0.722 -12.003 3.089 1.00 0.00 C ATOM 1100 CD2 TYR A 67 1.284 -10.801 2.624 1.00 0.00 C ATOM 1101 CE1 TYR A 67 -0.097 -12.647 4.139 1.00 0.00 C ATOM 1102 CE2 TYR A 67 1.916 -11.442 3.673 1.00 0.00 C ATOM 1103 CZ TYR A 67 1.221 -12.363 4.427 1.00 0.00 C ATOM 1104 OH TYR A 67 1.847 -13.002 5.473 1.00 0.00 O ATOM 0 H TYR A 67 -1.301 -9.465 -1.111 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.043 -11.902 -0.172 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -0.155 -9.483 0.894 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.710 -10.022 1.496 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.755 -12.228 2.867 1.00 0.00 H new ATOM 0 HD2 TYR A 67 1.831 -10.079 2.036 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.638 -13.370 4.732 1.00 0.00 H new ATOM 0 HE2 TYR A 67 2.949 -11.222 3.901 1.00 0.00 H new ATOM 0 HH TYR A 67 2.773 -12.689 5.540 1.00 0.00 H new ATOM 1114 N ARG A 68 -3.302 -11.549 -0.318 1.00 0.00 N ATOM 1115 CA ARG A 68 -4.567 -12.269 -0.222 1.00 0.00 C ATOM 1116 C ARG A 68 -4.703 -13.283 -1.356 1.00 0.00 C ATOM 1117 O ARG A 68 -5.435 -14.265 -1.237 1.00 0.00 O ATOM 1118 CB ARG A 68 -5.744 -11.288 -0.240 1.00 0.00 C ATOM 1119 CG ARG A 68 -5.981 -10.637 -1.595 1.00 0.00 C ATOM 1120 CD ARG A 68 -7.231 -11.182 -2.267 1.00 0.00 C ATOM 1121 NE ARG A 68 -8.452 -10.676 -1.645 1.00 0.00 N ATOM 1122 CZ ARG A 68 -8.960 -9.468 -1.882 1.00 0.00 C ATOM 1123 NH1 ARG A 68 -8.355 -8.639 -2.724 1.00 0.00 N ATOM 1124 NH2 ARG A 68 -10.076 -9.087 -1.275 1.00 0.00 N ATOM 0 H ARG A 68 -3.378 -10.608 -0.705 1.00 0.00 H new ATOM 0 HA ARG A 68 -4.579 -12.811 0.724 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.649 -11.815 0.062 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.566 -10.509 0.501 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -6.076 -9.558 -1.469 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -5.118 -10.809 -2.238 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -7.223 -10.911 -3.323 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -7.224 -12.271 -2.218 1.00 0.00 H new ATOM 0 HE ARG A 68 -8.945 -11.284 -0.991 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -7.496 -8.926 -3.194 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -8.749 -7.715 -2.901 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -10.545 -9.719 -0.627 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -10.465 -8.162 -1.457 1.00 0.00 H new ATOM 1138 N GLU A 69 -3.990 -13.041 -2.454 1.00 0.00 N ATOM 1139 CA GLU A 69 -4.030 -13.936 -3.604 1.00 0.00 C ATOM 1140 C GLU A 69 -2.980 -15.037 -3.476 1.00 0.00 C ATOM 1141 O GLU A 69 -3.097 -16.093 -4.095 1.00 0.00 O ATOM 1142 CB GLU A 69 -3.809 -13.149 -4.898 1.00 0.00 C ATOM 1143 CG GLU A 69 -4.845 -13.439 -5.971 1.00 0.00 C ATOM 1144 CD GLU A 69 -5.882 -12.339 -6.093 1.00 0.00 C ATOM 1145 OE1 GLU A 69 -5.531 -11.244 -6.577 1.00 0.00 O ATOM 1146 OE2 GLU A 69 -7.046 -12.575 -5.704 1.00 0.00 O ATOM 0 H GLU A 69 -3.379 -12.233 -2.570 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.015 -14.402 -3.635 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.821 -12.083 -4.672 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.818 -13.380 -5.289 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.343 -13.568 -6.930 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.345 -14.381 -5.743 1.00 0.00 H new ATOM 1153 N LYS A 70 -1.963 -14.791 -2.656 1.00 0.00 N ATOM 1154 CA LYS A 70 -0.908 -15.760 -2.428 1.00 0.00 C ATOM 1155 C LYS A 70 -1.282 -16.644 -1.253 1.00 0.00 C ATOM 1156 O LYS A 70 -1.012 -17.837 -1.250 1.00 0.00 O ATOM 1157 CB LYS A 70 0.430 -15.059 -2.169 1.00 0.00 C ATOM 1158 CG LYS A 70 0.518 -14.387 -0.808 1.00 0.00 C ATOM 1159 CD LYS A 70 1.816 -13.610 -0.652 1.00 0.00 C ATOM 1160 CE LYS A 70 2.950 -14.507 -0.182 1.00 0.00 C ATOM 1161 NZ LYS A 70 3.107 -14.472 1.299 1.00 0.00 N ATOM 0 H LYS A 70 -1.851 -13.920 -2.137 1.00 0.00 H new ATOM 0 HA LYS A 70 -0.794 -16.376 -3.320 1.00 0.00 H new ATOM 0 HB2 LYS A 70 1.235 -15.789 -2.256 1.00 0.00 H new ATOM 0 HB3 LYS A 70 0.593 -14.311 -2.944 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -0.329 -13.713 -0.679 1.00 0.00 H new ATOM 0 HG3 LYS A 70 0.448 -15.141 -0.024 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.084 -13.152 -1.604 1.00 0.00 H new ATOM 0 HD3 LYS A 70 1.672 -12.799 0.062 1.00 0.00 H new ATOM 0 HE2 LYS A 70 2.760 -15.531 -0.503 1.00 0.00 H new ATOM 0 HE3 LYS A 70 3.881 -14.193 -0.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.890 -15.096 1.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 3.313 -13.499 1.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 2.227 -14.796 1.749 1.00 0.00 H new ATOM 1175 N GLN A 71 -1.924 -16.044 -0.259 1.00 0.00 N ATOM 1176 CA GLN A 71 -2.358 -16.784 0.914 1.00 0.00 C ATOM 1177 C GLN A 71 -3.549 -17.654 0.566 1.00 0.00 C ATOM 1178 O GLN A 71 -3.747 -18.710 1.157 1.00 0.00 O ATOM 1179 CB GLN A 71 -2.707 -15.826 2.056 1.00 0.00 C ATOM 1180 CG GLN A 71 -3.220 -16.524 3.307 1.00 0.00 C ATOM 1181 CD GLN A 71 -4.324 -15.746 3.996 1.00 0.00 C ATOM 1182 OE1 GLN A 71 -5.326 -15.387 3.377 1.00 0.00 O ATOM 1183 NE2 GLN A 71 -4.145 -15.481 5.284 1.00 0.00 N ATOM 0 H GLN A 71 -2.154 -15.050 -0.243 1.00 0.00 H new ATOM 0 HA GLN A 71 -1.541 -17.425 1.246 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -1.822 -15.244 2.313 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -3.462 -15.121 1.709 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -3.590 -17.514 3.041 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -2.394 -16.669 4.003 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -3.299 -15.798 5.757 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -4.854 -14.960 5.801 1.00 0.00 H new ATOM 1192 N LYS A 72 -4.335 -17.223 -0.409 1.00 0.00 N ATOM 1193 CA LYS A 72 -5.485 -18.006 -0.822 1.00 0.00 C ATOM 1194 C LYS A 72 -5.096 -18.972 -1.927 1.00 0.00 C ATOM 1195 O LYS A 72 -5.725 -20.009 -2.111 1.00 0.00 O ATOM 1196 CB LYS A 72 -6.634 -17.102 -1.276 1.00 0.00 C ATOM 1197 CG LYS A 72 -7.489 -16.581 -0.132 1.00 0.00 C ATOM 1198 CD LYS A 72 -8.278 -15.347 -0.542 1.00 0.00 C ATOM 1199 CE LYS A 72 -8.011 -14.177 0.392 1.00 0.00 C ATOM 1200 NZ LYS A 72 -8.518 -14.437 1.768 1.00 0.00 N ATOM 0 H LYS A 72 -4.200 -16.351 -0.920 1.00 0.00 H new ATOM 0 HA LYS A 72 -5.831 -18.580 0.038 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -6.223 -16.255 -1.826 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -7.268 -17.655 -1.969 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.176 -17.361 0.195 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -6.852 -16.341 0.719 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -8.013 -15.067 -1.562 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -9.343 -15.578 -0.541 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -6.939 -13.981 0.431 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -8.485 -13.280 -0.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -8.393 -13.585 2.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -9.528 -14.682 1.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -7.988 -15.226 2.190 1.00 0.00 H new ATOM 1214 N SER A 73 -4.038 -18.641 -2.648 1.00 0.00 N ATOM 1215 CA SER A 73 -3.556 -19.503 -3.707 1.00 0.00 C ATOM 1216 C SER A 73 -2.537 -20.475 -3.136 1.00 0.00 C ATOM 1217 O SER A 73 -2.452 -21.628 -3.556 1.00 0.00 O ATOM 1218 CB SER A 73 -2.928 -18.679 -4.825 1.00 0.00 C ATOM 1219 OG SER A 73 -2.512 -19.504 -5.899 1.00 0.00 O ATOM 0 H SER A 73 -3.500 -17.784 -2.518 1.00 0.00 H new ATOM 0 HA SER A 73 -4.395 -20.059 -4.125 1.00 0.00 H new ATOM 0 HB2 SER A 73 -3.647 -17.943 -5.186 1.00 0.00 H new ATOM 0 HB3 SER A 73 -2.073 -18.126 -4.436 1.00 0.00 H new ATOM 0 HG SER A 73 -2.114 -18.950 -6.602 1.00 0.00 H new ATOM 1225 N GLU A 74 -1.769 -19.995 -2.160 1.00 0.00 N ATOM 1226 CA GLU A 74 -0.755 -20.820 -1.516 1.00 0.00 C ATOM 1227 C GLU A 74 -1.341 -21.596 -0.339 1.00 0.00 C ATOM 1228 O GLU A 74 -1.035 -22.775 -0.161 1.00 0.00 O ATOM 1229 CB GLU A 74 0.422 -19.965 -1.041 1.00 0.00 C ATOM 1230 CG GLU A 74 1.680 -20.767 -0.751 1.00 0.00 C ATOM 1231 CD GLU A 74 2.922 -20.143 -1.355 1.00 0.00 C ATOM 1232 OE1 GLU A 74 2.980 -20.019 -2.597 1.00 0.00 O ATOM 1233 OE2 GLU A 74 3.836 -19.777 -0.588 1.00 0.00 O ATOM 0 H GLU A 74 -1.831 -19.042 -1.800 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.395 -21.534 -2.257 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.646 -19.216 -1.801 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.129 -19.427 -0.140 1.00 0.00 H new ATOM 0 HG2 GLU A 74 1.810 -20.854 0.328 1.00 0.00 H new ATOM 0 HG3 GLU A 74 1.560 -21.778 -1.141 1.00 0.00 H new ATOM 1240 N ARG A 75 -2.190 -20.947 0.464 1.00 0.00 N ATOM 1241 CA ARG A 75 -2.797 -21.627 1.602 1.00 0.00 C ATOM 1242 C ARG A 75 -4.120 -22.254 1.195 1.00 0.00 C ATOM 1243 O ARG A 75 -4.509 -23.301 1.713 1.00 0.00 O ATOM 1244 CB ARG A 75 -3.001 -20.673 2.785 1.00 0.00 C ATOM 1245 CG ARG A 75 -1.897 -19.638 2.936 1.00 0.00 C ATOM 1246 CD ARG A 75 -0.648 -20.241 3.560 1.00 0.00 C ATOM 1247 NE ARG A 75 0.554 -19.937 2.785 1.00 0.00 N ATOM 1248 CZ ARG A 75 1.198 -18.773 2.841 1.00 0.00 C ATOM 1249 NH1 ARG A 75 0.759 -17.802 3.632 1.00 0.00 N ATOM 1250 NH2 ARG A 75 2.283 -18.580 2.104 1.00 0.00 N ATOM 0 H ARG A 75 -2.466 -19.972 0.348 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.114 -22.413 1.924 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -3.954 -20.159 2.665 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.067 -21.257 3.703 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -1.652 -19.221 1.959 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -2.252 -18.814 3.554 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -0.530 -19.861 4.575 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.767 -21.322 3.636 1.00 0.00 H new ATOM 0 HE ARG A 75 0.921 -20.659 2.165 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -0.075 -17.946 4.201 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.256 -16.912 3.671 1.00 0.00 H new ATOM 0 HH21 ARG A 75 2.624 -19.323 1.494 1.00 0.00 H new ATOM 0 HH22 ARG A 75 2.777 -17.688 2.147 1.00 0.00 H new ATOM 1264 N ALA A 76 -4.806 -21.609 0.258 1.00 0.00 N ATOM 1265 CA ALA A 76 -6.090 -22.119 -0.220 1.00 0.00 C ATOM 1266 C ALA A 76 -5.979 -22.638 -1.650 1.00 0.00 C ATOM 1267 O ALA A 76 -4.871 -23.058 -2.043 1.00 0.00 O ATOM 1268 CB ALA A 76 -7.162 -21.043 -0.121 1.00 0.00 C ATOM 1269 OXT ALA A 76 -7.003 -22.620 -2.365 1.00 0.00 O ATOM 0 H ALA A 76 -4.501 -20.741 -0.183 1.00 0.00 H new ATOM 0 HA ALA A 76 -6.378 -22.955 0.417 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -8.111 -21.441 -0.481 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -7.270 -20.731 0.918 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.874 -20.185 -0.729 1.00 0.00 H new