USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 805 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 37 CYS SG : rot 0:sc= -0.183 USER MOD Set 1.2: A 51 HIS :FLIP no HD1:sc= -2.15! F(o=-4.7,f=-2.3!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0826 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 24:sc= 0.055 USER MOD Single : A 6 SER OG : rot 12:sc= 0.441 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl -124:sc= -4.96 (180deg=-10.4!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 177:sc= -2.35 (180deg=-2.61) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl -152:sc= -4.31 (180deg=-5.18!) USER MOD Single : A 25 MET CE :methyl 165:sc= -0.373 (180deg=-1.06) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -3.41! C(o=-3.4!,f=-10!) USER MOD Single : A 36 ASN : amide:sc= -0.667 X(o=-0.67,f=-0.74) USER MOD Single : A 39 TYR OH : rot 30:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -2.94! C(o=-2.9!,f=-3.9!) USER MOD Single : A 49 CYS SG : rot 168:sc= 0.073 USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 ASN : amide:sc= -0.0712 X(o=-0.071,f=0) USER MOD Single : A 61 GLN : amide:sc= -0.0147 K(o=-0.015,f=-1.1) USER MOD Single : A 64 MET CE :methyl 165:sc= -1.89! (180deg=-2.73) USER MOD Single : A 67 CYS SG : rot 180:sc= -0.0345 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot -60:sc= 0.0496 USER MOD Single : A 75 ASN : amide:sc= -1.06 K(o=-1.1,f=-1.7) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0.0392 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= -0.0812 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 94 SER OG : rot 85:sc= 0.0367 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 ASN : amide:sc= -0.135 X(o=-0.14,f=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.720 9.191 -30.016 1.00 0.00 N ATOM 2 CA GLY A 1 13.517 8.450 -30.976 1.00 0.00 C ATOM 3 C GLY A 1 12.760 8.159 -32.257 1.00 0.00 C ATOM 4 O GLY A 1 12.953 8.836 -33.267 1.00 0.00 O ATOM 0 H1 GLY A 1 13.282 9.365 -29.158 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.433 10.100 -30.431 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.873 8.640 -29.769 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.418 9.017 -31.211 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.840 7.511 -30.527 1.00 0.00 H new ATOM 8 N SER A 2 11.897 7.149 -32.216 1.00 0.00 N ATOM 9 CA SER A 2 11.112 6.766 -33.384 1.00 0.00 C ATOM 10 C SER A 2 9.729 6.274 -32.971 1.00 0.00 C ATOM 11 O SER A 2 9.450 6.094 -31.785 1.00 0.00 O ATOM 12 CB SER A 2 11.837 5.678 -34.178 1.00 0.00 C ATOM 13 OG SER A 2 11.226 5.475 -35.440 1.00 0.00 O ATOM 0 H SER A 2 11.724 6.581 -31.387 1.00 0.00 H new ATOM 0 HA SER A 2 10.992 7.647 -34.015 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.881 5.959 -34.317 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.831 4.746 -33.613 1.00 0.00 H new ATOM 0 HG SER A 2 11.709 4.776 -35.929 1.00 0.00 H new ATOM 19 N SER A 3 8.865 6.058 -33.958 1.00 0.00 N ATOM 20 CA SER A 3 7.509 5.590 -33.698 1.00 0.00 C ATOM 21 C SER A 3 7.523 4.183 -33.107 1.00 0.00 C ATOM 22 O SER A 3 8.385 3.369 -33.435 1.00 0.00 O ATOM 23 CB SER A 3 6.686 5.605 -34.988 1.00 0.00 C ATOM 24 OG SER A 3 7.153 4.628 -35.903 1.00 0.00 O ATOM 0 H SER A 3 9.080 6.200 -34.945 1.00 0.00 H new ATOM 0 HA SER A 3 7.051 6.264 -32.975 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.637 5.419 -34.756 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.741 6.592 -35.446 1.00 0.00 H new ATOM 0 HG SER A 3 6.610 4.657 -36.718 1.00 0.00 H new ATOM 30 N GLY A 4 6.561 3.906 -32.233 1.00 0.00 N ATOM 31 CA GLY A 4 6.480 2.598 -31.610 1.00 0.00 C ATOM 32 C GLY A 4 5.716 2.626 -30.301 1.00 0.00 C ATOM 33 O GLY A 4 4.887 3.508 -30.077 1.00 0.00 O ATOM 0 H GLY A 4 5.836 4.564 -31.945 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.996 1.902 -32.295 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.487 2.221 -31.431 1.00 0.00 H new ATOM 37 N SER A 5 5.994 1.657 -29.434 1.00 0.00 N ATOM 38 CA SER A 5 5.322 1.571 -28.143 1.00 0.00 C ATOM 39 C SER A 5 6.267 1.028 -27.074 1.00 0.00 C ATOM 40 O SER A 5 7.018 0.084 -27.316 1.00 0.00 O ATOM 41 CB SER A 5 4.084 0.677 -28.246 1.00 0.00 C ATOM 42 OG SER A 5 2.957 1.416 -28.684 1.00 0.00 O ATOM 0 H SER A 5 6.680 0.921 -29.602 1.00 0.00 H new ATOM 0 HA SER A 5 5.013 2.576 -27.855 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.279 -0.141 -28.940 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.874 0.228 -27.275 1.00 0.00 H new ATOM 0 HG SER A 5 3.257 2.208 -29.177 1.00 0.00 H new ATOM 48 N SER A 6 6.223 1.634 -25.892 1.00 0.00 N ATOM 49 CA SER A 6 7.077 1.216 -24.787 1.00 0.00 C ATOM 50 C SER A 6 6.435 1.556 -23.445 1.00 0.00 C ATOM 51 O SER A 6 5.598 2.452 -23.354 1.00 0.00 O ATOM 52 CB SER A 6 8.449 1.885 -24.892 1.00 0.00 C ATOM 53 OG SER A 6 9.222 1.303 -25.928 1.00 0.00 O ATOM 0 H SER A 6 5.605 2.416 -25.675 1.00 0.00 H new ATOM 0 HA SER A 6 7.202 0.135 -24.847 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.324 2.951 -25.082 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.977 1.790 -23.943 1.00 0.00 H new ATOM 0 HG SER A 6 8.652 0.724 -26.476 1.00 0.00 H new ATOM 59 N GLY A 7 6.834 0.831 -22.404 1.00 0.00 N ATOM 60 CA GLY A 7 6.288 1.070 -21.081 1.00 0.00 C ATOM 61 C GLY A 7 7.366 1.176 -20.020 1.00 0.00 C ATOM 62 O GLY A 7 7.502 0.292 -19.174 1.00 0.00 O ATOM 0 H GLY A 7 7.525 0.083 -22.454 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.703 1.990 -21.093 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.605 0.261 -20.821 1.00 0.00 H new ATOM 66 N ARG A 8 8.134 2.260 -20.065 1.00 0.00 N ATOM 67 CA ARG A 8 9.207 2.477 -19.102 1.00 0.00 C ATOM 68 C ARG A 8 8.669 3.112 -17.823 1.00 0.00 C ATOM 69 O ARG A 8 8.942 2.638 -16.720 1.00 0.00 O ATOM 70 CB ARG A 8 10.293 3.367 -19.708 1.00 0.00 C ATOM 71 CG ARG A 8 10.794 2.882 -21.059 1.00 0.00 C ATOM 72 CD ARG A 8 11.766 1.722 -20.908 1.00 0.00 C ATOM 73 NE ARG A 8 11.084 0.478 -20.561 1.00 0.00 N ATOM 74 CZ ARG A 8 11.719 -0.638 -20.224 1.00 0.00 C ATOM 75 NH1 ARG A 8 13.044 -0.666 -20.187 1.00 0.00 N ATOM 76 NH2 ARG A 8 11.029 -1.730 -19.921 1.00 0.00 N ATOM 0 H ARG A 8 8.033 3.002 -20.758 1.00 0.00 H new ATOM 0 HA ARG A 8 9.639 1.508 -18.853 1.00 0.00 H new ATOM 0 HB2 ARG A 8 9.903 4.379 -19.817 1.00 0.00 H new ATOM 0 HB3 ARG A 8 11.134 3.422 -19.016 1.00 0.00 H new ATOM 0 HG2 ARG A 8 9.948 2.572 -21.672 1.00 0.00 H new ATOM 0 HG3 ARG A 8 11.284 3.703 -21.583 1.00 0.00 H new ATOM 0 HD2 ARG A 8 12.316 1.586 -21.839 1.00 0.00 H new ATOM 0 HD3 ARG A 8 12.499 1.961 -20.137 1.00 0.00 H new ATOM 0 HE ARG A 8 10.064 0.466 -20.579 1.00 0.00 H new ATOM 0 HH11 ARG A 8 13.578 0.172 -20.418 1.00 0.00 H new ATOM 0 HH12 ARG A 8 13.529 -1.525 -19.928 1.00 0.00 H new ATOM 0 HH21 ARG A 8 10.009 -1.713 -19.947 1.00 0.00 H new ATOM 0 HH22 ARG A 8 11.518 -2.587 -19.662 1.00 0.00 H new ATOM 90 N PHE A 9 7.903 4.187 -17.979 1.00 0.00 N ATOM 91 CA PHE A 9 7.328 4.888 -16.837 1.00 0.00 C ATOM 92 C PHE A 9 5.805 4.922 -16.930 1.00 0.00 C ATOM 93 O PHE A 9 5.231 5.780 -17.601 1.00 0.00 O ATOM 94 CB PHE A 9 7.877 6.314 -16.758 1.00 0.00 C ATOM 95 CG PHE A 9 7.851 7.040 -18.072 1.00 0.00 C ATOM 96 CD1 PHE A 9 8.867 6.862 -18.997 1.00 0.00 C ATOM 97 CD2 PHE A 9 6.812 7.902 -18.383 1.00 0.00 C ATOM 98 CE1 PHE A 9 8.847 7.528 -20.208 1.00 0.00 C ATOM 99 CE2 PHE A 9 6.785 8.570 -19.592 1.00 0.00 C ATOM 100 CZ PHE A 9 7.805 8.384 -20.505 1.00 0.00 C ATOM 0 H PHE A 9 7.666 4.591 -18.885 1.00 0.00 H new ATOM 0 HA PHE A 9 7.607 4.348 -15.933 1.00 0.00 H new ATOM 0 HB2 PHE A 9 7.296 6.878 -16.029 1.00 0.00 H new ATOM 0 HB3 PHE A 9 8.903 6.280 -16.391 1.00 0.00 H new ATOM 0 HD1 PHE A 9 9.685 6.195 -18.769 1.00 0.00 H new ATOM 0 HD2 PHE A 9 6.014 8.054 -17.672 1.00 0.00 H new ATOM 0 HE1 PHE A 9 9.645 7.379 -20.921 1.00 0.00 H new ATOM 0 HE2 PHE A 9 5.967 9.237 -19.823 1.00 0.00 H new ATOM 0 HZ PHE A 9 7.787 8.907 -21.450 1.00 0.00 H new ATOM 110 N THR A 10 5.155 3.980 -16.253 1.00 0.00 N ATOM 111 CA THR A 10 3.700 3.900 -16.260 1.00 0.00 C ATOM 112 C THR A 10 3.078 5.142 -15.631 1.00 0.00 C ATOM 113 O THR A 10 2.299 5.848 -16.271 1.00 0.00 O ATOM 114 CB THR A 10 3.203 2.652 -15.505 1.00 0.00 C ATOM 115 OG1 THR A 10 3.772 1.472 -16.082 1.00 0.00 O ATOM 116 CG2 THR A 10 1.685 2.563 -15.548 1.00 0.00 C ATOM 0 H THR A 10 5.614 3.262 -15.693 1.00 0.00 H new ATOM 0 HA THR A 10 3.392 3.832 -17.303 1.00 0.00 H new ATOM 0 HB THR A 10 3.517 2.734 -14.464 1.00 0.00 H new ATOM 0 HG1 THR A 10 3.453 0.683 -15.596 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.357 1.674 -15.009 1.00 0.00 H new ATOM 0 HG22 THR A 10 1.255 3.450 -15.082 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.353 2.501 -16.584 1.00 0.00 H new ATOM 124 N TRP A 11 3.428 5.402 -14.377 1.00 0.00 N ATOM 125 CA TRP A 11 2.903 6.561 -13.662 1.00 0.00 C ATOM 126 C TRP A 11 4.036 7.454 -13.169 1.00 0.00 C ATOM 127 O TRP A 11 5.211 7.161 -13.388 1.00 0.00 O ATOM 128 CB TRP A 11 2.041 6.110 -12.482 1.00 0.00 C ATOM 129 CG TRP A 11 2.605 4.929 -11.752 1.00 0.00 C ATOM 130 CD1 TRP A 11 3.891 4.767 -11.324 1.00 0.00 C ATOM 131 CD2 TRP A 11 1.899 3.744 -11.366 1.00 0.00 C ATOM 132 NE1 TRP A 11 4.029 3.553 -10.696 1.00 0.00 N ATOM 133 CE2 TRP A 11 2.821 2.907 -10.707 1.00 0.00 C ATOM 134 CE3 TRP A 11 0.579 3.310 -11.510 1.00 0.00 C ATOM 135 CZ2 TRP A 11 2.463 1.662 -10.197 1.00 0.00 C ATOM 136 CZ3 TRP A 11 0.225 2.074 -11.003 1.00 0.00 C ATOM 137 CH2 TRP A 11 1.163 1.262 -10.352 1.00 0.00 C ATOM 0 H TRP A 11 4.072 4.827 -13.834 1.00 0.00 H new ATOM 0 HA TRP A 11 2.287 7.136 -14.353 1.00 0.00 H new ATOM 0 HB2 TRP A 11 1.930 6.940 -11.784 1.00 0.00 H new ATOM 0 HB3 TRP A 11 1.043 5.862 -12.844 1.00 0.00 H new ATOM 0 HD1 TRP A 11 4.684 5.488 -11.459 1.00 0.00 H new ATOM 0 HE1 TRP A 11 4.891 3.191 -10.288 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -0.152 3.929 -12.009 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 3.185 1.034 -9.697 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -0.792 1.728 -11.110 1.00 0.00 H new ATOM 0 HH2 TRP A 11 0.855 0.302 -9.965 1.00 0.00 H new ATOM 148 N SER A 12 3.675 8.545 -12.501 1.00 0.00 N ATOM 149 CA SER A 12 4.661 9.484 -11.980 1.00 0.00 C ATOM 150 C SER A 12 5.499 8.837 -10.881 1.00 0.00 C ATOM 151 O SER A 12 4.973 8.138 -10.015 1.00 0.00 O ATOM 152 CB SER A 12 3.969 10.736 -11.438 1.00 0.00 C ATOM 153 OG SER A 12 4.894 11.589 -10.786 1.00 0.00 O ATOM 0 H SER A 12 2.707 8.800 -12.308 1.00 0.00 H new ATOM 0 HA SER A 12 5.322 9.769 -12.798 1.00 0.00 H new ATOM 0 HB2 SER A 12 3.489 11.273 -12.256 1.00 0.00 H new ATOM 0 HB3 SER A 12 3.182 10.447 -10.741 1.00 0.00 H new ATOM 0 HG SER A 12 4.427 12.382 -10.450 1.00 0.00 H new ATOM 159 N MET A 13 6.805 9.076 -10.923 1.00 0.00 N ATOM 160 CA MET A 13 7.717 8.517 -9.931 1.00 0.00 C ATOM 161 C MET A 13 9.037 9.280 -9.915 1.00 0.00 C ATOM 162 O MET A 13 9.843 9.166 -10.840 1.00 0.00 O ATOM 163 CB MET A 13 7.973 7.037 -10.218 1.00 0.00 C ATOM 164 CG MET A 13 8.268 6.218 -8.972 1.00 0.00 C ATOM 165 SD MET A 13 9.649 6.878 -8.018 1.00 0.00 S ATOM 166 CE MET A 13 8.807 7.416 -6.531 1.00 0.00 C ATOM 0 H MET A 13 7.256 9.653 -11.633 1.00 0.00 H new ATOM 0 HA MET A 13 7.250 8.613 -8.951 1.00 0.00 H new ATOM 0 HB2 MET A 13 7.102 6.617 -10.721 1.00 0.00 H new ATOM 0 HB3 MET A 13 8.812 6.949 -10.908 1.00 0.00 H new ATOM 0 HG2 MET A 13 7.378 6.188 -8.343 1.00 0.00 H new ATOM 0 HG3 MET A 13 8.489 5.191 -9.261 1.00 0.00 H new ATOM 0 HE1 MET A 13 9.010 8.473 -6.360 1.00 0.00 H new ATOM 0 HE2 MET A 13 7.733 7.267 -6.647 1.00 0.00 H new ATOM 0 HE3 MET A 13 9.164 6.836 -5.680 1.00 0.00 H new ATOM 176 N LYS A 14 9.254 10.058 -8.860 1.00 0.00 N ATOM 177 CA LYS A 14 10.478 10.839 -8.723 1.00 0.00 C ATOM 178 C LYS A 14 11.226 10.460 -7.449 1.00 0.00 C ATOM 179 O LYS A 14 12.451 10.339 -7.448 1.00 0.00 O ATOM 180 CB LYS A 14 10.153 12.335 -8.711 1.00 0.00 C ATOM 181 CG LYS A 14 9.088 12.718 -7.699 1.00 0.00 C ATOM 182 CD LYS A 14 8.393 14.013 -8.084 1.00 0.00 C ATOM 183 CE LYS A 14 9.299 15.216 -7.873 1.00 0.00 C ATOM 184 NZ LYS A 14 9.313 15.657 -6.451 1.00 0.00 N ATOM 0 H LYS A 14 8.598 10.165 -8.087 1.00 0.00 H new ATOM 0 HA LYS A 14 11.118 10.619 -9.577 1.00 0.00 H new ATOM 0 HB2 LYS A 14 11.064 12.894 -8.497 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.822 12.634 -9.705 1.00 0.00 H new ATOM 0 HG2 LYS A 14 8.352 11.918 -7.623 1.00 0.00 H new ATOM 0 HG3 LYS A 14 9.543 12.827 -6.714 1.00 0.00 H new ATOM 0 HD2 LYS A 14 8.087 13.966 -9.129 1.00 0.00 H new ATOM 0 HD3 LYS A 14 7.486 14.131 -7.491 1.00 0.00 H new ATOM 0 HE2 LYS A 14 10.313 14.966 -8.186 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.964 16.038 -8.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.942 16.479 -6.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 8.350 15.920 -6.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 9.657 14.881 -5.850 1.00 0.00 H new ATOM 198 N THR A 15 10.480 10.272 -6.364 1.00 0.00 N ATOM 199 CA THR A 15 11.073 9.907 -5.084 1.00 0.00 C ATOM 200 C THR A 15 11.898 8.631 -5.204 1.00 0.00 C ATOM 201 O THR A 15 11.420 7.615 -5.711 1.00 0.00 O ATOM 202 CB THR A 15 9.994 9.707 -4.002 1.00 0.00 C ATOM 203 OG1 THR A 15 9.256 10.920 -3.817 1.00 0.00 O ATOM 204 CG2 THR A 15 10.622 9.283 -2.683 1.00 0.00 C ATOM 0 H THR A 15 9.465 10.367 -6.347 1.00 0.00 H new ATOM 0 HA THR A 15 11.724 10.731 -4.791 1.00 0.00 H new ATOM 0 HB THR A 15 9.319 8.918 -4.334 1.00 0.00 H new ATOM 0 HG1 THR A 15 8.571 10.785 -3.129 1.00 0.00 H new ATOM 0 HG21 THR A 15 9.841 9.148 -1.935 1.00 0.00 H new ATOM 0 HG22 THR A 15 11.159 8.344 -2.821 1.00 0.00 H new ATOM 0 HG23 THR A 15 11.317 10.052 -2.347 1.00 0.00 H new ATOM 212 N THR A 16 13.140 8.688 -4.734 1.00 0.00 N ATOM 213 CA THR A 16 14.032 7.537 -4.790 1.00 0.00 C ATOM 214 C THR A 16 14.569 7.189 -3.406 1.00 0.00 C ATOM 215 O THR A 16 14.513 8.005 -2.486 1.00 0.00 O ATOM 216 CB THR A 16 15.218 7.790 -5.739 1.00 0.00 C ATOM 217 OG1 THR A 16 15.553 9.183 -5.744 1.00 0.00 O ATOM 218 CG2 THR A 16 14.886 7.338 -7.153 1.00 0.00 C ATOM 0 H THR A 16 13.551 9.520 -4.310 1.00 0.00 H new ATOM 0 HA THR A 16 13.444 6.701 -5.170 1.00 0.00 H new ATOM 0 HB THR A 16 16.071 7.213 -5.381 1.00 0.00 H new ATOM 0 HG1 THR A 16 16.309 9.335 -6.348 1.00 0.00 H new ATOM 0 HG21 THR A 16 15.739 7.527 -7.805 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.660 6.272 -7.151 1.00 0.00 H new ATOM 0 HG23 THR A 16 14.021 7.891 -7.518 1.00 0.00 H new ATOM 226 N SER A 17 15.088 5.974 -3.266 1.00 0.00 N ATOM 227 CA SER A 17 15.632 5.518 -1.992 1.00 0.00 C ATOM 228 C SER A 17 16.815 4.580 -2.211 1.00 0.00 C ATOM 229 O SER A 17 16.784 3.719 -3.091 1.00 0.00 O ATOM 230 CB SER A 17 14.550 4.810 -1.175 1.00 0.00 C ATOM 231 OG SER A 17 15.087 4.259 0.015 1.00 0.00 O ATOM 0 H SER A 17 15.143 5.288 -4.018 1.00 0.00 H new ATOM 0 HA SER A 17 15.980 6.391 -1.441 1.00 0.00 H new ATOM 0 HB2 SER A 17 13.757 5.516 -0.927 1.00 0.00 H new ATOM 0 HB3 SER A 17 14.097 4.019 -1.773 1.00 0.00 H new ATOM 0 HG SER A 17 14.375 3.814 0.520 1.00 0.00 H new ATOM 237 N SER A 18 17.857 4.752 -1.404 1.00 0.00 N ATOM 238 CA SER A 18 19.052 3.924 -1.512 1.00 0.00 C ATOM 239 C SER A 18 19.288 3.140 -0.224 1.00 0.00 C ATOM 240 O SER A 18 20.188 3.457 0.553 1.00 0.00 O ATOM 241 CB SER A 18 20.273 4.791 -1.824 1.00 0.00 C ATOM 242 OG SER A 18 21.372 3.996 -2.234 1.00 0.00 O ATOM 0 H SER A 18 17.898 5.457 -0.668 1.00 0.00 H new ATOM 0 HA SER A 18 18.900 3.216 -2.326 1.00 0.00 H new ATOM 0 HB2 SER A 18 20.024 5.506 -2.609 1.00 0.00 H new ATOM 0 HB3 SER A 18 20.547 5.369 -0.942 1.00 0.00 H new ATOM 0 HG SER A 18 22.139 4.574 -2.429 1.00 0.00 H new ATOM 248 N MET A 19 18.470 2.115 -0.005 1.00 0.00 N ATOM 249 CA MET A 19 18.590 1.285 1.188 1.00 0.00 C ATOM 250 C MET A 19 17.669 0.071 1.100 1.00 0.00 C ATOM 251 O MET A 19 16.859 -0.039 0.179 1.00 0.00 O ATOM 252 CB MET A 19 18.258 2.101 2.439 1.00 0.00 C ATOM 253 CG MET A 19 16.868 2.714 2.414 1.00 0.00 C ATOM 254 SD MET A 19 16.225 3.046 4.066 1.00 0.00 S ATOM 255 CE MET A 19 14.474 2.771 3.810 1.00 0.00 C ATOM 0 H MET A 19 17.718 1.840 -0.637 1.00 0.00 H new ATOM 0 HA MET A 19 19.620 0.935 1.254 1.00 0.00 H new ATOM 0 HB2 MET A 19 18.347 1.459 3.316 1.00 0.00 H new ATOM 0 HB3 MET A 19 18.995 2.896 2.550 1.00 0.00 H new ATOM 0 HG2 MET A 19 16.895 3.644 1.845 1.00 0.00 H new ATOM 0 HG3 MET A 19 16.188 2.041 1.892 1.00 0.00 H new ATOM 0 HE1 MET A 19 13.945 2.886 4.756 1.00 0.00 H new ATOM 0 HE2 MET A 19 14.093 3.496 3.091 1.00 0.00 H new ATOM 0 HE3 MET A 19 14.316 1.763 3.427 1.00 0.00 H new ATOM 265 N ASP A 20 17.800 -0.836 2.061 1.00 0.00 N ATOM 266 CA ASP A 20 16.979 -2.041 2.093 1.00 0.00 C ATOM 267 C ASP A 20 15.495 -1.687 2.120 1.00 0.00 C ATOM 268 O ASP A 20 15.070 -0.739 2.781 1.00 0.00 O ATOM 269 CB ASP A 20 17.335 -2.895 3.310 1.00 0.00 C ATOM 270 CG ASP A 20 17.078 -4.370 3.077 1.00 0.00 C ATOM 271 OD1 ASP A 20 17.695 -4.942 2.155 1.00 0.00 O ATOM 272 OD2 ASP A 20 16.258 -4.954 3.818 1.00 0.00 O ATOM 0 H ASP A 20 18.467 -0.760 2.829 1.00 0.00 H new ATOM 0 HA ASP A 20 17.181 -2.613 1.187 1.00 0.00 H new ATOM 0 HB2 ASP A 20 18.386 -2.747 3.559 1.00 0.00 H new ATOM 0 HB3 ASP A 20 16.754 -2.559 4.169 1.00 0.00 H new ATOM 277 N PRO A 21 14.687 -2.465 1.384 1.00 0.00 N ATOM 278 CA PRO A 21 13.239 -2.253 1.307 1.00 0.00 C ATOM 279 C PRO A 21 12.533 -2.590 2.617 1.00 0.00 C ATOM 280 O PRO A 21 11.587 -1.911 3.015 1.00 0.00 O ATOM 281 CB PRO A 21 12.798 -3.213 0.200 1.00 0.00 C ATOM 282 CG PRO A 21 13.835 -4.283 0.192 1.00 0.00 C ATOM 283 CD PRO A 21 15.126 -3.612 0.572 1.00 0.00 C ATOM 0 HA PRO A 21 12.990 -1.210 1.110 1.00 0.00 H new ATOM 0 HB2 PRO A 21 11.808 -3.622 0.402 1.00 0.00 H new ATOM 0 HB3 PRO A 21 12.743 -2.707 -0.764 1.00 0.00 H new ATOM 0 HG2 PRO A 21 13.584 -5.075 0.898 1.00 0.00 H new ATOM 0 HG3 PRO A 21 13.911 -4.746 -0.792 1.00 0.00 H new ATOM 0 HD2 PRO A 21 15.775 -4.280 1.138 1.00 0.00 H new ATOM 0 HD3 PRO A 21 15.686 -3.292 -0.306 1.00 0.00 H new ATOM 291 N SER A 22 13.001 -3.642 3.282 1.00 0.00 N ATOM 292 CA SER A 22 12.412 -4.070 4.545 1.00 0.00 C ATOM 293 C SER A 22 12.174 -2.877 5.466 1.00 0.00 C ATOM 294 O SER A 22 11.313 -2.919 6.345 1.00 0.00 O ATOM 295 CB SER A 22 13.320 -5.089 5.236 1.00 0.00 C ATOM 296 OG SER A 22 12.806 -5.453 6.505 1.00 0.00 O ATOM 0 H SER A 22 13.786 -4.213 2.967 1.00 0.00 H new ATOM 0 HA SER A 22 11.451 -4.537 4.329 1.00 0.00 H new ATOM 0 HB2 SER A 22 13.417 -5.977 4.611 1.00 0.00 H new ATOM 0 HB3 SER A 22 14.320 -4.670 5.352 1.00 0.00 H new ATOM 0 HG SER A 22 13.404 -6.106 6.925 1.00 0.00 H new ATOM 302 N ASP A 23 12.945 -1.815 5.259 1.00 0.00 N ATOM 303 CA ASP A 23 12.819 -0.609 6.069 1.00 0.00 C ATOM 304 C ASP A 23 11.648 0.245 5.593 1.00 0.00 C ATOM 305 O ASP A 23 10.770 0.604 6.377 1.00 0.00 O ATOM 306 CB ASP A 23 14.114 0.203 6.017 1.00 0.00 C ATOM 307 CG ASP A 23 14.084 1.399 6.948 1.00 0.00 C ATOM 308 OD1 ASP A 23 12.991 1.970 7.144 1.00 0.00 O ATOM 309 OD2 ASP A 23 15.153 1.766 7.478 1.00 0.00 O ATOM 0 H ASP A 23 13.664 -1.765 4.537 1.00 0.00 H new ATOM 0 HA ASP A 23 12.630 -0.910 7.099 1.00 0.00 H new ATOM 0 HB2 ASP A 23 14.953 -0.440 6.282 1.00 0.00 H new ATOM 0 HB3 ASP A 23 14.285 0.545 4.996 1.00 0.00 H new ATOM 314 N MET A 24 11.644 0.568 4.304 1.00 0.00 N ATOM 315 CA MET A 24 10.581 1.381 3.723 1.00 0.00 C ATOM 316 C MET A 24 9.219 0.965 4.269 1.00 0.00 C ATOM 317 O MET A 24 8.487 1.783 4.826 1.00 0.00 O ATOM 318 CB MET A 24 10.591 1.259 2.198 1.00 0.00 C ATOM 319 CG MET A 24 11.621 2.150 1.524 1.00 0.00 C ATOM 320 SD MET A 24 11.997 1.626 -0.160 1.00 0.00 S ATOM 321 CE MET A 24 11.142 2.884 -1.105 1.00 0.00 C ATOM 0 H MET A 24 12.364 0.280 3.642 1.00 0.00 H new ATOM 0 HA MET A 24 10.761 2.420 3.998 1.00 0.00 H new ATOM 0 HB2 MET A 24 10.786 0.222 1.926 1.00 0.00 H new ATOM 0 HB3 MET A 24 9.601 1.508 1.815 1.00 0.00 H new ATOM 0 HG2 MET A 24 11.253 3.176 1.508 1.00 0.00 H new ATOM 0 HG3 MET A 24 12.538 2.150 2.114 1.00 0.00 H new ATOM 0 HE1 MET A 24 10.847 2.475 -2.071 1.00 0.00 H new ATOM 0 HE2 MET A 24 10.254 3.207 -0.561 1.00 0.00 H new ATOM 0 HE3 MET A 24 11.804 3.736 -1.259 1.00 0.00 H new ATOM 331 N MET A 25 8.885 -0.311 4.106 1.00 0.00 N ATOM 332 CA MET A 25 7.611 -0.835 4.585 1.00 0.00 C ATOM 333 C MET A 25 7.220 -0.187 5.909 1.00 0.00 C ATOM 334 O MET A 25 6.052 0.132 6.134 1.00 0.00 O ATOM 335 CB MET A 25 7.689 -2.354 4.749 1.00 0.00 C ATOM 336 CG MET A 25 7.290 -3.122 3.500 1.00 0.00 C ATOM 337 SD MET A 25 5.529 -3.507 3.454 1.00 0.00 S ATOM 338 CE MET A 25 4.899 -2.105 2.534 1.00 0.00 C ATOM 0 H MET A 25 9.479 -1.001 3.646 1.00 0.00 H new ATOM 0 HA MET A 25 6.847 -0.596 3.845 1.00 0.00 H new ATOM 0 HB2 MET A 25 8.707 -2.629 5.025 1.00 0.00 H new ATOM 0 HB3 MET A 25 7.042 -2.656 5.573 1.00 0.00 H new ATOM 0 HG2 MET A 25 7.553 -2.537 2.619 1.00 0.00 H new ATOM 0 HG3 MET A 25 7.862 -4.049 3.450 1.00 0.00 H new ATOM 0 HE1 MET A 25 3.886 -2.319 2.192 1.00 0.00 H new ATOM 0 HE2 MET A 25 4.887 -1.224 3.176 1.00 0.00 H new ATOM 0 HE3 MET A 25 5.540 -1.917 1.673 1.00 0.00 H new ATOM 348 N ARG A 26 8.203 0.003 6.783 1.00 0.00 N ATOM 349 CA ARG A 26 7.961 0.611 8.086 1.00 0.00 C ATOM 350 C ARG A 26 7.746 2.116 7.952 1.00 0.00 C ATOM 351 O ARG A 26 6.879 2.689 8.611 1.00 0.00 O ATOM 352 CB ARG A 26 9.134 0.334 9.028 1.00 0.00 C ATOM 353 CG ARG A 26 8.778 0.469 10.499 1.00 0.00 C ATOM 354 CD ARG A 26 9.996 0.270 11.387 1.00 0.00 C ATOM 355 NE ARG A 26 10.786 1.492 11.514 1.00 0.00 N ATOM 356 CZ ARG A 26 12.021 1.521 12.005 1.00 0.00 C ATOM 357 NH1 ARG A 26 12.602 0.401 12.412 1.00 0.00 N ATOM 358 NH2 ARG A 26 12.676 2.672 12.088 1.00 0.00 N ATOM 0 H ARG A 26 9.175 -0.255 6.612 1.00 0.00 H new ATOM 0 HA ARG A 26 7.057 0.168 8.503 1.00 0.00 H new ATOM 0 HB2 ARG A 26 9.507 -0.674 8.844 1.00 0.00 H new ATOM 0 HB3 ARG A 26 9.947 1.022 8.795 1.00 0.00 H new ATOM 0 HG2 ARG A 26 8.350 1.455 10.682 1.00 0.00 H new ATOM 0 HG3 ARG A 26 8.014 -0.264 10.758 1.00 0.00 H new ATOM 0 HD2 ARG A 26 9.674 -0.058 12.375 1.00 0.00 H new ATOM 0 HD3 ARG A 26 10.619 -0.524 10.975 1.00 0.00 H new ATOM 0 HE ARG A 26 10.367 2.371 11.209 1.00 0.00 H new ATOM 0 HH11 ARG A 26 12.101 -0.485 12.349 1.00 0.00 H new ATOM 0 HH12 ARG A 26 13.550 0.426 12.788 1.00 0.00 H new ATOM 0 HH21 ARG A 26 12.232 3.535 11.775 1.00 0.00 H new ATOM 0 HH22 ARG A 26 13.624 2.694 12.465 1.00 0.00 H new ATOM 372 N GLU A 27 8.541 2.748 7.095 1.00 0.00 N ATOM 373 CA GLU A 27 8.438 4.186 6.876 1.00 0.00 C ATOM 374 C GLU A 27 7.063 4.556 6.328 1.00 0.00 C ATOM 375 O GLU A 27 6.309 5.296 6.961 1.00 0.00 O ATOM 376 CB GLU A 27 9.528 4.657 5.911 1.00 0.00 C ATOM 377 CG GLU A 27 9.414 6.124 5.533 1.00 0.00 C ATOM 378 CD GLU A 27 10.139 7.036 6.504 1.00 0.00 C ATOM 379 OE1 GLU A 27 11.105 6.571 7.145 1.00 0.00 O ATOM 380 OE2 GLU A 27 9.741 8.213 6.624 1.00 0.00 O ATOM 0 H GLU A 27 9.263 2.287 6.541 1.00 0.00 H new ATOM 0 HA GLU A 27 8.573 4.684 7.836 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.503 4.482 6.365 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.485 4.053 5.005 1.00 0.00 H new ATOM 0 HG2 GLU A 27 9.820 6.270 4.532 1.00 0.00 H new ATOM 0 HG3 GLU A 27 8.361 6.404 5.494 1.00 0.00 H new ATOM 387 N ILE A 28 6.745 4.037 5.147 1.00 0.00 N ATOM 388 CA ILE A 28 5.461 4.312 4.513 1.00 0.00 C ATOM 389 C ILE A 28 4.312 4.139 5.500 1.00 0.00 C ATOM 390 O ILE A 28 3.526 5.060 5.720 1.00 0.00 O ATOM 391 CB ILE A 28 5.224 3.392 3.300 1.00 0.00 C ATOM 392 CG1 ILE A 28 6.141 3.791 2.143 1.00 0.00 C ATOM 393 CG2 ILE A 28 3.765 3.448 2.871 1.00 0.00 C ATOM 394 CD1 ILE A 28 7.489 3.106 2.176 1.00 0.00 C ATOM 0 H ILE A 28 7.358 3.424 4.610 1.00 0.00 H new ATOM 0 HA ILE A 28 5.492 5.347 4.173 1.00 0.00 H new ATOM 0 HB ILE A 28 5.459 2.367 3.588 1.00 0.00 H new ATOM 0 HG12 ILE A 28 5.646 3.556 1.201 1.00 0.00 H new ATOM 0 HG13 ILE A 28 6.291 4.870 2.164 1.00 0.00 H new ATOM 0 HG21 ILE A 28 3.613 2.793 2.013 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.131 3.120 3.695 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.505 4.471 2.597 1.00 0.00 H new ATOM 0 HD11 ILE A 28 8.086 3.437 1.326 1.00 0.00 H new ATOM 0 HD12 ILE A 28 8.004 3.361 3.102 1.00 0.00 H new ATOM 0 HD13 ILE A 28 7.350 2.026 2.123 1.00 0.00 H new ATOM 406 N ARG A 29 4.223 2.954 6.095 1.00 0.00 N ATOM 407 CA ARG A 29 3.171 2.660 7.060 1.00 0.00 C ATOM 408 C ARG A 29 3.158 3.694 8.182 1.00 0.00 C ATOM 409 O ARG A 29 2.103 4.205 8.558 1.00 0.00 O ATOM 410 CB ARG A 29 3.362 1.259 7.645 1.00 0.00 C ATOM 411 CG ARG A 29 2.952 0.143 6.698 1.00 0.00 C ATOM 412 CD ARG A 29 2.826 -1.186 7.426 1.00 0.00 C ATOM 413 NE ARG A 29 1.926 -1.098 8.574 1.00 0.00 N ATOM 414 CZ ARG A 29 1.732 -2.092 9.433 1.00 0.00 C ATOM 415 NH1 ARG A 29 2.371 -3.243 9.276 1.00 0.00 N ATOM 416 NH2 ARG A 29 0.897 -1.936 10.452 1.00 0.00 N ATOM 0 H ARG A 29 4.867 2.182 5.925 1.00 0.00 H new ATOM 0 HA ARG A 29 2.214 2.701 6.540 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.409 1.127 7.916 1.00 0.00 H new ATOM 0 HB3 ARG A 29 2.782 1.176 8.564 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.001 0.394 6.228 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.688 0.053 5.899 1.00 0.00 H new ATOM 0 HD2 ARG A 29 2.459 -1.945 6.735 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.811 -1.510 7.762 1.00 0.00 H new ATOM 0 HE ARG A 29 1.419 -0.226 8.724 1.00 0.00 H new ATOM 0 HH11 ARG A 29 3.014 -3.367 8.494 1.00 0.00 H new ATOM 0 HH12 ARG A 29 2.220 -4.005 9.937 1.00 0.00 H new ATOM 0 HH21 ARG A 29 0.403 -1.052 10.576 1.00 0.00 H new ATOM 0 HH22 ARG A 29 0.749 -2.700 11.111 1.00 0.00 H new ATOM 430 N LYS A 30 4.338 3.997 8.713 1.00 0.00 N ATOM 431 CA LYS A 30 4.464 4.970 9.791 1.00 0.00 C ATOM 432 C LYS A 30 3.896 6.323 9.373 1.00 0.00 C ATOM 433 O LYS A 30 2.947 6.823 9.977 1.00 0.00 O ATOM 434 CB LYS A 30 5.932 5.125 10.197 1.00 0.00 C ATOM 435 CG LYS A 30 6.203 6.358 11.041 1.00 0.00 C ATOM 436 CD LYS A 30 7.546 6.268 11.746 1.00 0.00 C ATOM 437 CE LYS A 30 8.044 7.639 12.175 1.00 0.00 C ATOM 438 NZ LYS A 30 7.354 8.120 13.404 1.00 0.00 N ATOM 0 H LYS A 30 5.221 3.582 8.414 1.00 0.00 H new ATOM 0 HA LYS A 30 3.893 4.604 10.645 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.242 4.240 10.752 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.546 5.169 9.298 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.182 7.245 10.408 1.00 0.00 H new ATOM 0 HG3 LYS A 30 5.410 6.475 11.780 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.457 5.623 12.620 1.00 0.00 H new ATOM 0 HD3 LYS A 30 8.276 5.806 11.082 1.00 0.00 H new ATOM 0 HE2 LYS A 30 9.118 7.595 12.355 1.00 0.00 H new ATOM 0 HE3 LYS A 30 7.885 8.353 11.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 7.721 9.058 13.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 6.332 8.186 13.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.526 7.453 14.183 1.00 0.00 H new ATOM 452 N VAL A 31 4.483 6.910 8.335 1.00 0.00 N ATOM 453 CA VAL A 31 4.033 8.204 7.834 1.00 0.00 C ATOM 454 C VAL A 31 2.521 8.224 7.642 1.00 0.00 C ATOM 455 O VAL A 31 1.817 9.029 8.252 1.00 0.00 O ATOM 456 CB VAL A 31 4.714 8.556 6.498 1.00 0.00 C ATOM 457 CG1 VAL A 31 4.068 9.785 5.877 1.00 0.00 C ATOM 458 CG2 VAL A 31 6.206 8.773 6.702 1.00 0.00 C ATOM 0 H VAL A 31 5.271 6.511 7.825 1.00 0.00 H new ATOM 0 HA VAL A 31 4.311 8.947 8.582 1.00 0.00 H new ATOM 0 HB VAL A 31 4.582 7.720 5.811 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.562 10.019 4.934 1.00 0.00 H new ATOM 0 HG12 VAL A 31 3.012 9.588 5.694 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.166 10.631 6.557 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.671 9.021 5.748 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.362 9.591 7.405 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.655 7.863 7.099 1.00 0.00 H new ATOM 468 N LEU A 32 2.027 7.331 6.791 1.00 0.00 N ATOM 469 CA LEU A 32 0.596 7.245 6.518 1.00 0.00 C ATOM 470 C LEU A 32 -0.215 7.468 7.790 1.00 0.00 C ATOM 471 O LEU A 32 -0.983 8.424 7.889 1.00 0.00 O ATOM 472 CB LEU A 32 0.254 5.882 5.914 1.00 0.00 C ATOM 473 CG LEU A 32 0.724 5.648 4.477 1.00 0.00 C ATOM 474 CD1 LEU A 32 0.655 4.169 4.128 1.00 0.00 C ATOM 475 CD2 LEU A 32 -0.110 6.467 3.503 1.00 0.00 C ATOM 0 H LEU A 32 2.596 6.657 6.279 1.00 0.00 H new ATOM 0 HA LEU A 32 0.339 8.027 5.804 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.686 5.107 6.547 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.828 5.753 5.947 1.00 0.00 H new ATOM 0 HG LEU A 32 1.762 5.972 4.397 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.993 4.021 3.102 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.295 3.605 4.806 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.373 3.820 4.225 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.238 6.288 2.486 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.157 6.174 3.585 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.010 7.526 3.740 1.00 0.00 H new ATOM 487 N GLY A 33 -0.037 6.580 8.763 1.00 0.00 N ATOM 488 CA GLY A 33 -0.758 6.699 10.017 1.00 0.00 C ATOM 489 C GLY A 33 -0.607 8.070 10.645 1.00 0.00 C ATOM 490 O GLY A 33 -1.522 8.562 11.304 1.00 0.00 O ATOM 0 H GLY A 33 0.594 5.780 8.705 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -1.815 6.496 9.845 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -0.397 5.942 10.713 1.00 0.00 H new ATOM 494 N ALA A 34 0.551 8.689 10.441 1.00 0.00 N ATOM 495 CA ALA A 34 0.818 10.012 10.991 1.00 0.00 C ATOM 496 C ALA A 34 -0.031 11.074 10.303 1.00 0.00 C ATOM 497 O ALA A 34 -0.315 12.124 10.878 1.00 0.00 O ATOM 498 CB ALA A 34 2.296 10.349 10.861 1.00 0.00 C ATOM 0 H ALA A 34 1.320 8.295 9.898 1.00 0.00 H new ATOM 0 HA ALA A 34 0.551 10.000 12.048 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.481 11.340 11.276 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.886 9.612 11.405 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.581 10.337 9.809 1.00 0.00 H new ATOM 504 N ASN A 35 -0.433 10.795 9.067 1.00 0.00 N ATOM 505 CA ASN A 35 -1.250 11.729 8.300 1.00 0.00 C ATOM 506 C ASN A 35 -2.723 11.338 8.358 1.00 0.00 C ATOM 507 O ASN A 35 -3.460 11.509 7.388 1.00 0.00 O ATOM 508 CB ASN A 35 -0.779 11.773 6.844 1.00 0.00 C ATOM 509 CG ASN A 35 0.730 11.698 6.722 1.00 0.00 C ATOM 510 OD1 ASN A 35 1.292 10.631 6.477 1.00 0.00 O ATOM 511 ND2 ASN A 35 1.395 12.835 6.894 1.00 0.00 N ATOM 0 H ASN A 35 -0.207 9.930 8.575 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.138 12.719 8.742 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -1.227 10.945 6.295 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.133 12.693 6.378 1.00 0.00 H new ATOM 0 HD21 ASN A 35 2.413 12.846 6.824 1.00 0.00 H new ATOM 0 HD22 ASN A 35 0.888 13.697 7.096 1.00 0.00 H new ATOM 518 N ASN A 36 -3.145 10.812 9.504 1.00 0.00 N ATOM 519 CA ASN A 36 -4.531 10.397 9.689 1.00 0.00 C ATOM 520 C ASN A 36 -5.079 9.749 8.421 1.00 0.00 C ATOM 521 O ASN A 36 -6.166 10.094 7.955 1.00 0.00 O ATOM 522 CB ASN A 36 -5.397 11.597 10.077 1.00 0.00 C ATOM 523 CG ASN A 36 -6.789 11.186 10.520 1.00 0.00 C ATOM 524 OD1 ASN A 36 -7.714 11.117 9.711 1.00 0.00 O ATOM 525 ND2 ASN A 36 -6.942 10.912 11.810 1.00 0.00 N ATOM 0 H ASN A 36 -2.548 10.663 10.317 1.00 0.00 H new ATOM 0 HA ASN A 36 -4.560 9.662 10.493 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -4.910 12.148 10.882 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -5.474 12.276 9.228 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -7.855 10.631 12.167 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -6.146 10.983 12.444 1.00 0.00 H new ATOM 532 N CYS A 37 -4.321 8.808 7.869 1.00 0.00 N ATOM 533 CA CYS A 37 -4.730 8.111 6.655 1.00 0.00 C ATOM 534 C CYS A 37 -4.965 6.630 6.931 1.00 0.00 C ATOM 535 O CYS A 37 -4.359 6.053 7.834 1.00 0.00 O ATOM 536 CB CYS A 37 -3.670 8.278 5.564 1.00 0.00 C ATOM 537 SG CYS A 37 -3.766 9.850 4.676 1.00 0.00 S ATOM 0 H CYS A 37 -3.420 8.510 8.243 1.00 0.00 H new ATOM 0 HA CYS A 37 -5.666 8.550 6.311 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -2.682 8.188 6.015 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.769 7.462 4.848 1.00 0.00 H new ATOM 0 HG CYS A 37 -4.743 10.561 5.156 1.00 0.00 H new ATOM 543 N ASP A 38 -5.848 6.020 6.148 1.00 0.00 N ATOM 544 CA ASP A 38 -6.163 4.606 6.308 1.00 0.00 C ATOM 545 C ASP A 38 -5.331 3.752 5.356 1.00 0.00 C ATOM 546 O ASP A 38 -5.424 3.894 4.137 1.00 0.00 O ATOM 547 CB ASP A 38 -7.653 4.362 6.061 1.00 0.00 C ATOM 548 CG ASP A 38 -8.481 4.511 7.322 1.00 0.00 C ATOM 549 OD1 ASP A 38 -8.026 5.212 8.250 1.00 0.00 O ATOM 550 OD2 ASP A 38 -9.583 3.927 7.381 1.00 0.00 O ATOM 0 H ASP A 38 -6.358 6.483 5.396 1.00 0.00 H new ATOM 0 HA ASP A 38 -5.920 4.319 7.331 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -8.013 5.063 5.308 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -7.792 3.360 5.655 1.00 0.00 H new ATOM 555 N TYR A 39 -4.518 2.866 5.921 1.00 0.00 N ATOM 556 CA TYR A 39 -3.667 1.992 5.123 1.00 0.00 C ATOM 557 C TYR A 39 -3.960 0.525 5.422 1.00 0.00 C ATOM 558 O TYR A 39 -4.145 0.141 6.576 1.00 0.00 O ATOM 559 CB TYR A 39 -2.192 2.295 5.395 1.00 0.00 C ATOM 560 CG TYR A 39 -1.781 2.062 6.832 1.00 0.00 C ATOM 561 CD1 TYR A 39 -1.930 3.060 7.788 1.00 0.00 C ATOM 562 CD2 TYR A 39 -1.244 0.845 7.233 1.00 0.00 C ATOM 563 CE1 TYR A 39 -1.555 2.852 9.101 1.00 0.00 C ATOM 564 CE2 TYR A 39 -0.868 0.628 8.544 1.00 0.00 C ATOM 565 CZ TYR A 39 -1.025 1.634 9.475 1.00 0.00 C ATOM 566 OH TYR A 39 -0.651 1.422 10.782 1.00 0.00 O ATOM 0 H TYR A 39 -4.431 2.734 6.929 1.00 0.00 H new ATOM 0 HA TYR A 39 -3.882 2.179 4.071 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.576 1.674 4.744 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.988 3.333 5.131 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -2.346 4.014 7.499 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -1.118 0.055 6.507 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -1.676 3.639 9.831 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -0.453 -0.324 8.839 1.00 0.00 H new ATOM 0 HH TYR A 39 -1.215 1.961 11.375 1.00 0.00 H new ATOM 576 N GLU A 40 -4.000 -0.289 4.372 1.00 0.00 N ATOM 577 CA GLU A 40 -4.271 -1.714 4.521 1.00 0.00 C ATOM 578 C GLU A 40 -3.294 -2.543 3.693 1.00 0.00 C ATOM 579 O GLU A 40 -3.207 -2.385 2.475 1.00 0.00 O ATOM 580 CB GLU A 40 -5.708 -2.030 4.101 1.00 0.00 C ATOM 581 CG GLU A 40 -6.725 -1.830 5.213 1.00 0.00 C ATOM 582 CD GLU A 40 -8.148 -2.077 4.753 1.00 0.00 C ATOM 583 OE1 GLU A 40 -8.437 -3.203 4.297 1.00 0.00 O ATOM 584 OE2 GLU A 40 -8.974 -1.145 4.848 1.00 0.00 O ATOM 0 H GLU A 40 -3.848 0.014 3.410 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.142 -1.974 5.572 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.978 -1.398 3.255 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.758 -3.063 3.756 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.492 -2.503 6.039 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.643 -0.813 5.597 1.00 0.00 H new ATOM 591 N GLN A 41 -2.561 -3.427 4.362 1.00 0.00 N ATOM 592 CA GLN A 41 -1.590 -4.280 3.688 1.00 0.00 C ATOM 593 C GLN A 41 -2.289 -5.333 2.835 1.00 0.00 C ATOM 594 O GLN A 41 -2.832 -6.308 3.355 1.00 0.00 O ATOM 595 CB GLN A 41 -0.679 -4.960 4.713 1.00 0.00 C ATOM 596 CG GLN A 41 0.723 -5.235 4.193 1.00 0.00 C ATOM 597 CD GLN A 41 0.828 -6.565 3.473 1.00 0.00 C ATOM 598 OE1 GLN A 41 -0.124 -7.345 3.443 1.00 0.00 O ATOM 599 NE2 GLN A 41 1.990 -6.831 2.888 1.00 0.00 N ATOM 0 H GLN A 41 -2.621 -3.571 5.370 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.985 -3.652 3.034 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.611 -4.331 5.601 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.134 -5.901 5.023 1.00 0.00 H new ATOM 0 HG2 GLN A 41 1.018 -4.435 3.515 1.00 0.00 H new ATOM 0 HG3 GLN A 41 1.425 -5.221 5.027 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.753 -6.155 2.938 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.120 -7.711 2.389 1.00 0.00 H new ATOM 608 N ARG A 42 -2.273 -5.129 1.522 1.00 0.00 N ATOM 609 CA ARG A 42 -2.907 -6.059 0.596 1.00 0.00 C ATOM 610 C ARG A 42 -1.895 -7.069 0.061 1.00 0.00 C ATOM 611 O ARG A 42 -1.888 -8.230 0.469 1.00 0.00 O ATOM 612 CB ARG A 42 -3.547 -5.299 -0.567 1.00 0.00 C ATOM 613 CG ARG A 42 -4.944 -4.782 -0.261 1.00 0.00 C ATOM 614 CD ARG A 42 -5.997 -5.855 -0.489 1.00 0.00 C ATOM 615 NE ARG A 42 -7.184 -5.640 0.333 1.00 0.00 N ATOM 616 CZ ARG A 42 -8.211 -6.482 0.376 1.00 0.00 C ATOM 617 NH1 ARG A 42 -8.195 -7.589 -0.353 1.00 0.00 N ATOM 618 NH2 ARG A 42 -9.256 -6.217 1.149 1.00 0.00 N ATOM 0 H ARG A 42 -1.828 -4.327 1.075 1.00 0.00 H new ATOM 0 HA ARG A 42 -3.683 -6.599 1.139 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.908 -4.458 -0.836 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -3.594 -5.954 -1.437 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -4.989 -4.441 0.773 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -5.160 -3.919 -0.891 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -6.282 -5.866 -1.541 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -5.572 -6.833 -0.264 1.00 0.00 H new ATOM 0 HE ARG A 42 -7.227 -4.797 0.906 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -7.393 -7.796 -0.949 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -8.984 -8.234 -0.318 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -9.272 -5.366 1.711 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -10.044 -6.864 1.181 1.00 0.00 H new ATOM 632 N GLU A 43 -1.043 -6.617 -0.854 1.00 0.00 N ATOM 633 CA GLU A 43 -0.028 -7.482 -1.445 1.00 0.00 C ATOM 634 C GLU A 43 1.182 -7.607 -0.525 1.00 0.00 C ATOM 635 O GLU A 43 1.188 -7.078 0.587 1.00 0.00 O ATOM 636 CB GLU A 43 0.407 -6.937 -2.807 1.00 0.00 C ATOM 637 CG GLU A 43 -0.750 -6.671 -3.755 1.00 0.00 C ATOM 638 CD GLU A 43 -1.351 -7.946 -4.314 1.00 0.00 C ATOM 639 OE1 GLU A 43 -0.590 -8.765 -4.870 1.00 0.00 O ATOM 640 OE2 GLU A 43 -2.581 -8.125 -4.196 1.00 0.00 O ATOM 0 H GLU A 43 -1.035 -5.658 -1.202 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.464 -8.472 -1.580 1.00 0.00 H new ATOM 0 HB2 GLU A 43 0.963 -6.012 -2.658 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.090 -7.648 -3.272 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -1.523 -6.109 -3.230 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.404 -6.046 -4.578 1.00 0.00 H new ATOM 647 N ARG A 44 2.206 -8.312 -0.996 1.00 0.00 N ATOM 648 CA ARG A 44 3.421 -8.510 -0.216 1.00 0.00 C ATOM 649 C ARG A 44 3.978 -7.175 0.271 1.00 0.00 C ATOM 650 O ARG A 44 4.306 -7.019 1.447 1.00 0.00 O ATOM 651 CB ARG A 44 4.475 -9.240 -1.050 1.00 0.00 C ATOM 652 CG ARG A 44 5.596 -9.845 -0.220 1.00 0.00 C ATOM 653 CD ARG A 44 6.818 -10.150 -1.073 1.00 0.00 C ATOM 654 NE ARG A 44 6.601 -11.297 -1.950 1.00 0.00 N ATOM 655 CZ ARG A 44 7.487 -11.713 -2.848 1.00 0.00 C ATOM 656 NH1 ARG A 44 8.643 -11.079 -2.987 1.00 0.00 N ATOM 657 NH2 ARG A 44 7.217 -12.765 -3.610 1.00 0.00 N ATOM 0 H ARG A 44 2.218 -8.756 -1.914 1.00 0.00 H new ATOM 0 HA ARG A 44 3.170 -9.118 0.653 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.990 -10.031 -1.622 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.903 -8.543 -1.770 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.871 -9.156 0.579 1.00 0.00 H new ATOM 0 HG3 ARG A 44 5.245 -10.761 0.255 1.00 0.00 H new ATOM 0 HD2 ARG A 44 7.067 -9.276 -1.675 1.00 0.00 H new ATOM 0 HD3 ARG A 44 7.673 -10.346 -0.425 1.00 0.00 H new ATOM 0 HE ARG A 44 5.721 -11.807 -1.869 1.00 0.00 H new ATOM 0 HH11 ARG A 44 8.854 -10.269 -2.403 1.00 0.00 H new ATOM 0 HH12 ARG A 44 9.321 -11.401 -3.677 1.00 0.00 H new ATOM 0 HH21 ARG A 44 6.328 -13.255 -3.507 1.00 0.00 H new ATOM 0 HH22 ARG A 44 7.898 -13.084 -4.299 1.00 0.00 H new ATOM 671 N PHE A 45 4.082 -6.215 -0.642 1.00 0.00 N ATOM 672 CA PHE A 45 4.600 -4.894 -0.307 1.00 0.00 C ATOM 673 C PHE A 45 3.703 -3.798 -0.873 1.00 0.00 C ATOM 674 O PHE A 45 4.185 -2.806 -1.423 1.00 0.00 O ATOM 675 CB PHE A 45 6.024 -4.730 -0.843 1.00 0.00 C ATOM 676 CG PHE A 45 7.061 -5.433 -0.015 1.00 0.00 C ATOM 677 CD1 PHE A 45 7.259 -6.799 -0.140 1.00 0.00 C ATOM 678 CD2 PHE A 45 7.839 -4.728 0.890 1.00 0.00 C ATOM 679 CE1 PHE A 45 8.212 -7.448 0.621 1.00 0.00 C ATOM 680 CE2 PHE A 45 8.794 -5.372 1.653 1.00 0.00 C ATOM 681 CZ PHE A 45 8.980 -6.734 1.519 1.00 0.00 C ATOM 0 H PHE A 45 3.814 -6.327 -1.620 1.00 0.00 H new ATOM 0 HA PHE A 45 4.615 -4.802 0.779 1.00 0.00 H new ATOM 0 HB2 PHE A 45 6.066 -5.111 -1.863 1.00 0.00 H new ATOM 0 HB3 PHE A 45 6.266 -3.668 -0.889 1.00 0.00 H new ATOM 0 HD1 PHE A 45 6.661 -7.363 -0.841 1.00 0.00 H new ATOM 0 HD2 PHE A 45 7.697 -3.663 1.000 1.00 0.00 H new ATOM 0 HE1 PHE A 45 8.356 -8.513 0.514 1.00 0.00 H new ATOM 0 HE2 PHE A 45 9.395 -4.811 2.354 1.00 0.00 H new ATOM 0 HZ PHE A 45 9.725 -7.240 2.116 1.00 0.00 H new ATOM 691 N LEU A 46 2.394 -3.983 -0.736 1.00 0.00 N ATOM 692 CA LEU A 46 1.427 -3.011 -1.234 1.00 0.00 C ATOM 693 C LEU A 46 0.480 -2.568 -0.123 1.00 0.00 C ATOM 694 O LEU A 46 0.173 -3.336 0.789 1.00 0.00 O ATOM 695 CB LEU A 46 0.628 -3.606 -2.394 1.00 0.00 C ATOM 696 CG LEU A 46 -0.259 -2.630 -3.168 1.00 0.00 C ATOM 697 CD1 LEU A 46 0.514 -2.003 -4.318 1.00 0.00 C ATOM 698 CD2 LEU A 46 -1.505 -3.335 -3.683 1.00 0.00 C ATOM 0 H LEU A 46 1.978 -4.797 -0.284 1.00 0.00 H new ATOM 0 HA LEU A 46 1.975 -2.138 -1.589 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.327 -4.063 -3.094 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.001 -4.406 -2.003 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.569 -1.835 -2.490 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.133 -1.311 -4.857 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.375 -1.463 -3.926 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.855 -2.785 -4.997 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.124 -2.625 -4.231 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.214 -4.150 -4.346 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.070 -3.736 -2.842 1.00 0.00 H new ATOM 710 N LEU A 47 0.019 -1.325 -0.208 1.00 0.00 N ATOM 711 CA LEU A 47 -0.896 -0.779 0.789 1.00 0.00 C ATOM 712 C LEU A 47 -1.955 0.101 0.132 1.00 0.00 C ATOM 713 O LEU A 47 -1.739 0.648 -0.949 1.00 0.00 O ATOM 714 CB LEU A 47 -0.122 0.028 1.833 1.00 0.00 C ATOM 715 CG LEU A 47 1.011 -0.710 2.547 1.00 0.00 C ATOM 716 CD1 LEU A 47 2.090 0.267 2.988 1.00 0.00 C ATOM 717 CD2 LEU A 47 0.472 -1.486 3.740 1.00 0.00 C ATOM 0 H LEU A 47 0.263 -0.676 -0.956 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.397 -1.612 1.281 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.296 0.909 1.346 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.827 0.384 2.584 1.00 0.00 H new ATOM 0 HG LEU A 47 1.455 -1.418 1.848 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.888 -0.276 3.494 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.496 0.779 2.115 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.660 1.000 3.671 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.292 -2.005 4.237 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.002 -0.796 4.441 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.264 -2.213 3.398 1.00 0.00 H new ATOM 729 N PHE A 48 -3.100 0.234 0.794 1.00 0.00 N ATOM 730 CA PHE A 48 -4.192 1.048 0.275 1.00 0.00 C ATOM 731 C PHE A 48 -4.302 2.363 1.041 1.00 0.00 C ATOM 732 O PHE A 48 -4.932 2.428 2.098 1.00 0.00 O ATOM 733 CB PHE A 48 -5.514 0.282 0.363 1.00 0.00 C ATOM 734 CG PHE A 48 -6.624 0.908 -0.432 1.00 0.00 C ATOM 735 CD1 PHE A 48 -6.648 0.806 -1.813 1.00 0.00 C ATOM 736 CD2 PHE A 48 -7.643 1.600 0.203 1.00 0.00 C ATOM 737 CE1 PHE A 48 -7.668 1.382 -2.546 1.00 0.00 C ATOM 738 CE2 PHE A 48 -8.666 2.178 -0.525 1.00 0.00 C ATOM 739 CZ PHE A 48 -8.679 2.068 -1.902 1.00 0.00 C ATOM 0 H PHE A 48 -3.295 -0.212 1.691 1.00 0.00 H new ATOM 0 HA PHE A 48 -3.979 1.273 -0.770 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -5.358 -0.738 0.012 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -5.818 0.217 1.408 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -5.861 0.270 -2.323 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -7.638 1.689 1.279 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -7.675 1.296 -3.623 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -9.454 2.715 -0.018 1.00 0.00 H new ATOM 0 HZ PHE A 48 -9.478 2.517 -2.473 1.00 0.00 H new ATOM 749 N CYS A 49 -3.684 3.408 0.502 1.00 0.00 N ATOM 750 CA CYS A 49 -3.710 4.722 1.135 1.00 0.00 C ATOM 751 C CYS A 49 -5.067 5.392 0.942 1.00 0.00 C ATOM 752 O CYS A 49 -5.671 5.297 -0.126 1.00 0.00 O ATOM 753 CB CYS A 49 -2.604 5.609 0.563 1.00 0.00 C ATOM 754 SG CYS A 49 -0.970 4.835 0.549 1.00 0.00 S ATOM 0 H CYS A 49 -3.159 3.371 -0.372 1.00 0.00 H new ATOM 0 HA CYS A 49 -3.541 4.586 2.203 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -2.869 5.891 -0.456 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -2.553 6.529 1.145 1.00 0.00 H new ATOM 0 HG CYS A 49 -0.158 5.549 -0.172 1.00 0.00 H new ATOM 760 N VAL A 50 -5.541 6.067 1.984 1.00 0.00 N ATOM 761 CA VAL A 50 -6.827 6.752 1.929 1.00 0.00 C ATOM 762 C VAL A 50 -6.814 8.015 2.784 1.00 0.00 C ATOM 763 O VAL A 50 -6.236 8.035 3.872 1.00 0.00 O ATOM 764 CB VAL A 50 -7.971 5.837 2.403 1.00 0.00 C ATOM 765 CG1 VAL A 50 -9.279 6.611 2.478 1.00 0.00 C ATOM 766 CG2 VAL A 50 -8.106 4.633 1.482 1.00 0.00 C ATOM 0 H VAL A 50 -5.054 6.154 2.876 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.997 7.023 0.887 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.733 5.476 3.404 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -10.076 5.948 2.815 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.173 7.437 3.181 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.527 7.004 1.492 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.919 3.997 1.832 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.321 4.972 0.469 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.175 4.066 1.485 1.00 0.00 H new ATOM 776 N HIS A 51 -7.455 9.067 2.286 1.00 0.00 N ATOM 777 CA HIS A 51 -7.518 10.334 3.005 1.00 0.00 C ATOM 778 C HIS A 51 -8.762 11.123 2.607 1.00 0.00 C ATOM 779 O HIS A 51 -9.257 10.998 1.488 1.00 0.00 O ATOM 780 CB HIS A 51 -6.264 11.165 2.729 1.00 0.00 C ATOM 781 CG HIS A 51 -6.040 12.261 3.725 1.00 0.00 C ATOM 782 ND1 HIS A 51 -5.876 12.217 5.068 1.00 0.00 N flip ATOM 783 CD2 HIS A 51 -5.965 13.592 3.375 1.00 0.00 C flip ATOM 784 CE1 HIS A 51 -5.706 13.509 5.500 1.00 0.00 C flip ATOM 785 NE2 HIS A 51 -5.763 14.320 4.458 1.00 0.00 N flip ATOM 0 H HIS A 51 -7.938 9.067 1.388 1.00 0.00 H new ATOM 0 HA HIS A 51 -7.573 10.115 4.071 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -5.396 10.506 2.725 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -6.339 11.601 1.733 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -6.057 13.979 2.371 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -5.551 13.813 6.525 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -5.667 15.335 4.486 1.00 0.00 H new ATOM 794 N GLY A 52 -9.263 11.936 3.533 1.00 0.00 N ATOM 795 CA GLY A 52 -10.445 12.732 3.260 1.00 0.00 C ATOM 796 C GLY A 52 -10.149 14.218 3.229 1.00 0.00 C ATOM 797 O GLY A 52 -10.621 14.969 4.083 1.00 0.00 O ATOM 0 H GLY A 52 -8.871 12.057 4.467 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.870 12.429 2.303 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -11.199 12.531 4.021 1.00 0.00 H new ATOM 801 N ASP A 53 -9.365 14.643 2.245 1.00 0.00 N ATOM 802 CA ASP A 53 -9.006 16.050 2.107 1.00 0.00 C ATOM 803 C ASP A 53 -10.127 16.833 1.433 1.00 0.00 C ATOM 804 O ASP A 53 -9.890 17.598 0.498 1.00 0.00 O ATOM 805 CB ASP A 53 -7.713 16.191 1.303 1.00 0.00 C ATOM 806 CG ASP A 53 -7.779 15.472 -0.030 1.00 0.00 C ATOM 807 OD1 ASP A 53 -8.326 16.052 -0.992 1.00 0.00 O ATOM 808 OD2 ASP A 53 -7.282 14.330 -0.113 1.00 0.00 O ATOM 0 H ASP A 53 -8.966 14.034 1.531 1.00 0.00 H new ATOM 0 HA ASP A 53 -8.851 16.460 3.105 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.508 17.248 1.133 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.881 15.795 1.886 1.00 0.00 H new ATOM 813 N GLY A 54 -11.352 16.637 1.913 1.00 0.00 N ATOM 814 CA GLY A 54 -12.492 17.331 1.344 1.00 0.00 C ATOM 815 C GLY A 54 -13.805 16.637 1.649 1.00 0.00 C ATOM 816 O GLY A 54 -14.105 16.341 2.806 1.00 0.00 O ATOM 0 H GLY A 54 -11.575 16.010 2.686 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -12.524 18.349 1.732 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -12.366 17.405 0.264 1.00 0.00 H new ATOM 820 N HIS A 55 -14.591 16.378 0.609 1.00 0.00 N ATOM 821 CA HIS A 55 -15.880 15.715 0.771 1.00 0.00 C ATOM 822 C HIS A 55 -15.783 14.239 0.396 1.00 0.00 C ATOM 823 O HIS A 55 -14.914 13.842 -0.380 1.00 0.00 O ATOM 824 CB HIS A 55 -16.942 16.402 -0.087 1.00 0.00 C ATOM 825 CG HIS A 55 -17.444 17.687 0.497 1.00 0.00 C ATOM 826 ND1 HIS A 55 -18.782 17.946 0.708 1.00 0.00 N ATOM 827 CD2 HIS A 55 -16.778 18.788 0.917 1.00 0.00 C ATOM 828 CE1 HIS A 55 -18.917 19.152 1.230 1.00 0.00 C ATOM 829 NE2 HIS A 55 -17.716 19.684 1.368 1.00 0.00 N ATOM 0 H HIS A 55 -14.358 16.617 -0.355 1.00 0.00 H new ATOM 0 HA HIS A 55 -16.168 15.787 1.820 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -16.527 16.599 -1.075 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -17.783 15.722 -0.224 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -15.708 18.935 0.901 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -19.851 19.623 1.498 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -17.517 20.610 1.748 1.00 0.00 H new ATOM 838 N ALA A 56 -16.680 13.432 0.952 1.00 0.00 N ATOM 839 CA ALA A 56 -16.696 12.001 0.674 1.00 0.00 C ATOM 840 C ALA A 56 -16.633 11.732 -0.825 1.00 0.00 C ATOM 841 O ALA A 56 -15.802 10.953 -1.290 1.00 0.00 O ATOM 842 CB ALA A 56 -17.939 11.361 1.275 1.00 0.00 C ATOM 0 H ALA A 56 -17.405 13.745 1.598 1.00 0.00 H new ATOM 0 HA ALA A 56 -15.813 11.557 1.133 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -17.938 10.292 1.060 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -17.941 11.514 2.354 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -18.829 11.818 0.842 1.00 0.00 H new ATOM 848 N GLU A 57 -17.518 12.381 -1.576 1.00 0.00 N ATOM 849 CA GLU A 57 -17.562 12.209 -3.024 1.00 0.00 C ATOM 850 C GLU A 57 -16.239 12.624 -3.662 1.00 0.00 C ATOM 851 O GLU A 57 -15.960 12.287 -4.811 1.00 0.00 O ATOM 852 CB GLU A 57 -18.708 13.027 -3.622 1.00 0.00 C ATOM 853 CG GLU A 57 -19.004 12.690 -5.074 1.00 0.00 C ATOM 854 CD GLU A 57 -19.853 11.443 -5.222 1.00 0.00 C ATOM 855 OE1 GLU A 57 -19.697 10.516 -4.399 1.00 0.00 O ATOM 856 OE2 GLU A 57 -20.675 11.393 -6.161 1.00 0.00 O ATOM 0 H GLU A 57 -18.213 13.030 -1.206 1.00 0.00 H new ATOM 0 HA GLU A 57 -17.731 11.153 -3.234 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -19.608 12.863 -3.029 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -18.465 14.087 -3.546 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -19.516 13.531 -5.541 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -18.065 12.551 -5.610 1.00 0.00 H new ATOM 863 N ASN A 58 -15.430 13.360 -2.906 1.00 0.00 N ATOM 864 CA ASN A 58 -14.137 13.823 -3.397 1.00 0.00 C ATOM 865 C ASN A 58 -12.996 13.177 -2.618 1.00 0.00 C ATOM 866 O ASN A 58 -12.037 13.846 -2.230 1.00 0.00 O ATOM 867 CB ASN A 58 -14.044 15.346 -3.292 1.00 0.00 C ATOM 868 CG ASN A 58 -14.997 16.051 -4.238 1.00 0.00 C ATOM 869 OD1 ASN A 58 -14.594 16.535 -5.296 1.00 0.00 O ATOM 870 ND2 ASN A 58 -16.268 16.111 -3.861 1.00 0.00 N ATOM 0 H ASN A 58 -15.647 13.648 -1.952 1.00 0.00 H new ATOM 0 HA ASN A 58 -14.048 13.532 -4.444 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -14.261 15.651 -2.268 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -13.023 15.661 -3.508 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -16.955 16.572 -4.457 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -16.557 15.696 -2.975 1.00 0.00 H new ATOM 877 N LEU A 59 -13.105 11.873 -2.391 1.00 0.00 N ATOM 878 CA LEU A 59 -12.082 11.135 -1.658 1.00 0.00 C ATOM 879 C LEU A 59 -10.936 10.732 -2.580 1.00 0.00 C ATOM 880 O LEU A 59 -11.127 10.547 -3.782 1.00 0.00 O ATOM 881 CB LEU A 59 -12.690 9.891 -1.008 1.00 0.00 C ATOM 882 CG LEU A 59 -11.924 9.314 0.183 1.00 0.00 C ATOM 883 CD1 LEU A 59 -12.863 8.547 1.101 1.00 0.00 C ATOM 884 CD2 LEU A 59 -10.792 8.416 -0.296 1.00 0.00 C ATOM 0 H LEU A 59 -13.892 11.304 -2.704 1.00 0.00 H new ATOM 0 HA LEU A 59 -11.686 11.787 -0.880 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -13.701 10.134 -0.681 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -12.778 9.115 -1.768 1.00 0.00 H new ATOM 0 HG LEU A 59 -11.492 10.140 0.748 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -12.300 8.144 1.943 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -13.638 9.218 1.471 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -13.325 7.729 0.548 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -10.257 8.014 0.565 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -11.203 7.595 -0.884 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -10.104 8.995 -0.912 1.00 0.00 H new ATOM 896 N VAL A 60 -9.744 10.595 -2.008 1.00 0.00 N ATOM 897 CA VAL A 60 -8.566 10.211 -2.778 1.00 0.00 C ATOM 898 C VAL A 60 -8.083 8.819 -2.384 1.00 0.00 C ATOM 899 O VAL A 60 -7.738 8.576 -1.229 1.00 0.00 O ATOM 900 CB VAL A 60 -7.416 11.216 -2.583 1.00 0.00 C ATOM 901 CG1 VAL A 60 -6.094 10.607 -3.026 1.00 0.00 C ATOM 902 CG2 VAL A 60 -7.700 12.503 -3.342 1.00 0.00 C ATOM 0 H VAL A 60 -9.568 10.744 -1.014 1.00 0.00 H new ATOM 0 HA VAL A 60 -8.860 10.207 -3.827 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.341 11.455 -1.522 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.293 11.332 -2.881 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.888 9.715 -2.434 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.153 10.337 -4.081 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.877 13.202 -3.193 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -7.802 12.284 -4.405 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -8.625 12.947 -2.973 1.00 0.00 H new ATOM 912 N GLN A 61 -8.061 7.910 -3.354 1.00 0.00 N ATOM 913 CA GLN A 61 -7.620 6.542 -3.108 1.00 0.00 C ATOM 914 C GLN A 61 -6.472 6.165 -4.039 1.00 0.00 C ATOM 915 O GLN A 61 -6.631 6.145 -5.259 1.00 0.00 O ATOM 916 CB GLN A 61 -8.784 5.568 -3.294 1.00 0.00 C ATOM 917 CG GLN A 61 -9.610 5.359 -2.035 1.00 0.00 C ATOM 918 CD GLN A 61 -10.985 4.790 -2.326 1.00 0.00 C ATOM 919 OE1 GLN A 61 -11.284 4.408 -3.458 1.00 0.00 O ATOM 920 NE2 GLN A 61 -11.830 4.730 -1.303 1.00 0.00 N ATOM 0 H GLN A 61 -8.343 8.096 -4.316 1.00 0.00 H new ATOM 0 HA GLN A 61 -7.265 6.480 -2.079 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -9.433 5.938 -4.087 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -8.393 4.606 -3.625 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -9.077 4.686 -1.363 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -9.718 6.310 -1.514 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -11.540 5.058 -0.382 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -12.769 4.356 -1.439 1.00 0.00 H new ATOM 929 N TRP A 62 -5.317 5.868 -3.454 1.00 0.00 N ATOM 930 CA TRP A 62 -4.142 5.491 -4.232 1.00 0.00 C ATOM 931 C TRP A 62 -3.306 4.456 -3.488 1.00 0.00 C ATOM 932 O TRP A 62 -3.157 4.527 -2.269 1.00 0.00 O ATOM 933 CB TRP A 62 -3.293 6.725 -4.540 1.00 0.00 C ATOM 934 CG TRP A 62 -2.530 7.233 -3.354 1.00 0.00 C ATOM 935 CD1 TRP A 62 -1.174 7.227 -3.187 1.00 0.00 C ATOM 936 CD2 TRP A 62 -3.079 7.819 -2.169 1.00 0.00 C ATOM 937 NE1 TRP A 62 -0.848 7.774 -1.970 1.00 0.00 N ATOM 938 CE2 TRP A 62 -1.998 8.145 -1.326 1.00 0.00 C ATOM 939 CE3 TRP A 62 -4.378 8.101 -1.738 1.00 0.00 C ATOM 940 CZ2 TRP A 62 -2.180 8.738 -0.080 1.00 0.00 C ATOM 941 CZ3 TRP A 62 -4.556 8.689 -0.500 1.00 0.00 C ATOM 942 CH2 TRP A 62 -3.462 9.003 0.317 1.00 0.00 C ATOM 0 H TRP A 62 -5.169 5.881 -2.445 1.00 0.00 H new ATOM 0 HA TRP A 62 -4.483 5.050 -5.169 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -2.591 6.484 -5.338 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -3.940 7.518 -4.913 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -0.463 6.848 -3.906 1.00 0.00 H new ATOM 0 HE1 TRP A 62 0.098 7.886 -1.605 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -5.228 7.864 -2.361 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -1.338 8.981 0.552 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -5.556 8.910 -0.156 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -3.634 9.463 1.279 1.00 0.00 H new ATOM 953 N GLU A 63 -2.763 3.496 -4.230 1.00 0.00 N ATOM 954 CA GLU A 63 -1.942 2.446 -3.638 1.00 0.00 C ATOM 955 C GLU A 63 -0.457 2.743 -3.832 1.00 0.00 C ATOM 956 O GLU A 63 -0.078 3.528 -4.700 1.00 0.00 O ATOM 957 CB GLU A 63 -2.287 1.089 -4.256 1.00 0.00 C ATOM 958 CG GLU A 63 -3.448 0.387 -3.573 1.00 0.00 C ATOM 959 CD GLU A 63 -4.077 -0.683 -4.444 1.00 0.00 C ATOM 960 OE1 GLU A 63 -3.857 -0.653 -5.672 1.00 0.00 O ATOM 961 OE2 GLU A 63 -4.790 -1.550 -3.896 1.00 0.00 O ATOM 0 H GLU A 63 -2.877 3.424 -5.241 1.00 0.00 H new ATOM 0 HA GLU A 63 -2.152 2.414 -2.569 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.528 1.230 -5.310 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.408 0.446 -4.213 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.099 -0.065 -2.644 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.206 1.123 -3.304 1.00 0.00 H new ATOM 968 N MET A 64 0.378 2.108 -3.015 1.00 0.00 N ATOM 969 CA MET A 64 1.821 2.303 -3.096 1.00 0.00 C ATOM 970 C MET A 64 2.562 0.998 -2.823 1.00 0.00 C ATOM 971 O MET A 64 2.198 0.245 -1.920 1.00 0.00 O ATOM 972 CB MET A 64 2.269 3.375 -2.101 1.00 0.00 C ATOM 973 CG MET A 64 1.607 4.726 -2.324 1.00 0.00 C ATOM 974 SD MET A 64 2.002 5.915 -1.029 1.00 0.00 S ATOM 975 CE MET A 64 3.723 5.525 -0.724 1.00 0.00 C ATOM 0 H MET A 64 0.080 1.455 -2.290 1.00 0.00 H new ATOM 0 HA MET A 64 2.062 2.632 -4.107 1.00 0.00 H new ATOM 0 HB2 MET A 64 2.049 3.034 -1.089 1.00 0.00 H new ATOM 0 HB3 MET A 64 3.350 3.494 -2.170 1.00 0.00 H new ATOM 0 HG2 MET A 64 1.922 5.126 -3.288 1.00 0.00 H new ATOM 0 HG3 MET A 64 0.526 4.593 -2.372 1.00 0.00 H new ATOM 0 HE1 MET A 64 4.183 6.331 -0.153 1.00 0.00 H new ATOM 0 HE2 MET A 64 3.791 4.595 -0.159 1.00 0.00 H new ATOM 0 HE3 MET A 64 4.244 5.410 -1.674 1.00 0.00 H new ATOM 985 N GLU A 65 3.602 0.737 -3.609 1.00 0.00 N ATOM 986 CA GLU A 65 4.392 -0.478 -3.450 1.00 0.00 C ATOM 987 C GLU A 65 5.882 -0.180 -3.587 1.00 0.00 C ATOM 988 O GLU A 65 6.279 0.744 -4.298 1.00 0.00 O ATOM 989 CB GLU A 65 3.973 -1.524 -4.486 1.00 0.00 C ATOM 990 CG GLU A 65 4.814 -2.789 -4.448 1.00 0.00 C ATOM 991 CD GLU A 65 4.725 -3.588 -5.734 1.00 0.00 C ATOM 992 OE1 GLU A 65 3.779 -4.392 -5.868 1.00 0.00 O ATOM 993 OE2 GLU A 65 5.600 -3.407 -6.606 1.00 0.00 O ATOM 0 H GLU A 65 3.917 1.350 -4.361 1.00 0.00 H new ATOM 0 HA GLU A 65 4.208 -0.872 -2.451 1.00 0.00 H new ATOM 0 HB2 GLU A 65 2.928 -1.787 -4.322 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.038 -1.084 -5.481 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.854 -2.524 -4.261 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.489 -3.412 -3.615 1.00 0.00 H new ATOM 1000 N VAL A 66 6.703 -0.967 -2.899 1.00 0.00 N ATOM 1001 CA VAL A 66 8.149 -0.789 -2.943 1.00 0.00 C ATOM 1002 C VAL A 66 8.807 -1.847 -3.822 1.00 0.00 C ATOM 1003 O VAL A 66 8.703 -3.044 -3.554 1.00 0.00 O ATOM 1004 CB VAL A 66 8.766 -0.853 -1.533 1.00 0.00 C ATOM 1005 CG1 VAL A 66 10.233 -0.453 -1.573 1.00 0.00 C ATOM 1006 CG2 VAL A 66 7.988 0.032 -0.571 1.00 0.00 C ATOM 0 H VAL A 66 6.391 -1.735 -2.304 1.00 0.00 H new ATOM 0 HA VAL A 66 8.333 0.198 -3.368 1.00 0.00 H new ATOM 0 HB VAL A 66 8.705 -1.881 -1.174 1.00 0.00 H new ATOM 0 HG11 VAL A 66 10.652 -0.504 -0.568 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.778 -1.133 -2.228 1.00 0.00 H new ATOM 0 HG13 VAL A 66 10.322 0.565 -1.952 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.437 -0.025 0.420 1.00 0.00 H new ATOM 0 HG22 VAL A 66 8.015 1.063 -0.923 1.00 0.00 H new ATOM 0 HG23 VAL A 66 6.953 -0.307 -0.520 1.00 0.00 H new ATOM 1016 N CYS A 67 9.485 -1.397 -4.873 1.00 0.00 N ATOM 1017 CA CYS A 67 10.160 -2.305 -5.793 1.00 0.00 C ATOM 1018 C CYS A 67 11.381 -1.637 -6.417 1.00 0.00 C ATOM 1019 O CYS A 67 11.555 -0.422 -6.322 1.00 0.00 O ATOM 1020 CB CYS A 67 9.197 -2.762 -6.890 1.00 0.00 C ATOM 1021 SG CYS A 67 9.650 -4.334 -7.661 1.00 0.00 S ATOM 0 H CYS A 67 9.581 -0.409 -5.109 1.00 0.00 H new ATOM 0 HA CYS A 67 10.493 -3.175 -5.227 1.00 0.00 H new ATOM 0 HB2 CYS A 67 8.197 -2.852 -6.466 1.00 0.00 H new ATOM 0 HB3 CYS A 67 9.149 -1.992 -7.660 1.00 0.00 H new ATOM 0 HG CYS A 67 8.775 -4.638 -8.574 1.00 0.00 H new ATOM 1027 N LYS A 68 12.226 -2.440 -7.055 1.00 0.00 N ATOM 1028 CA LYS A 68 13.432 -1.928 -7.695 1.00 0.00 C ATOM 1029 C LYS A 68 13.124 -1.398 -9.092 1.00 0.00 C ATOM 1030 O LYS A 68 12.410 -2.036 -9.866 1.00 0.00 O ATOM 1031 CB LYS A 68 14.495 -3.026 -7.778 1.00 0.00 C ATOM 1032 CG LYS A 68 14.144 -4.140 -8.749 1.00 0.00 C ATOM 1033 CD LYS A 68 14.989 -5.379 -8.505 1.00 0.00 C ATOM 1034 CE LYS A 68 14.302 -6.633 -9.024 1.00 0.00 C ATOM 1035 NZ LYS A 68 14.918 -7.872 -8.474 1.00 0.00 N ATOM 0 H LYS A 68 12.098 -3.448 -7.143 1.00 0.00 H new ATOM 0 HA LYS A 68 13.813 -1.106 -7.090 1.00 0.00 H new ATOM 0 HB2 LYS A 68 15.443 -2.580 -8.077 1.00 0.00 H new ATOM 0 HB3 LYS A 68 14.642 -3.453 -6.786 1.00 0.00 H new ATOM 0 HG2 LYS A 68 13.088 -4.393 -8.648 1.00 0.00 H new ATOM 0 HG3 LYS A 68 14.292 -3.793 -9.772 1.00 0.00 H new ATOM 0 HD2 LYS A 68 15.956 -5.263 -8.995 1.00 0.00 H new ATOM 0 HD3 LYS A 68 15.183 -5.484 -7.438 1.00 0.00 H new ATOM 0 HE2 LYS A 68 13.245 -6.604 -8.758 1.00 0.00 H new ATOM 0 HE3 LYS A 68 14.357 -6.653 -10.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 14.421 -8.704 -8.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 15.920 -7.913 -8.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 14.843 -7.866 -7.437 1.00 0.00 H new ATOM 1049 N LEU A 69 13.667 -0.227 -9.408 1.00 0.00 N ATOM 1050 CA LEU A 69 13.451 0.389 -10.712 1.00 0.00 C ATOM 1051 C LEU A 69 14.194 -0.374 -11.804 1.00 0.00 C ATOM 1052 O LEU A 69 15.347 -0.774 -11.641 1.00 0.00 O ATOM 1053 CB LEU A 69 13.909 1.848 -10.692 1.00 0.00 C ATOM 1054 CG LEU A 69 13.226 2.751 -9.664 1.00 0.00 C ATOM 1055 CD1 LEU A 69 13.933 4.095 -9.580 1.00 0.00 C ATOM 1056 CD2 LEU A 69 11.757 2.941 -10.014 1.00 0.00 C ATOM 0 H LEU A 69 14.260 0.314 -8.779 1.00 0.00 H new ATOM 0 HA LEU A 69 12.384 0.353 -10.931 1.00 0.00 H new ATOM 0 HB2 LEU A 69 14.983 1.868 -10.507 1.00 0.00 H new ATOM 0 HB3 LEU A 69 13.748 2.272 -11.683 1.00 0.00 H new ATOM 0 HG LEU A 69 13.288 2.269 -8.688 1.00 0.00 H new ATOM 0 HD11 LEU A 69 13.433 4.724 -8.844 1.00 0.00 H new ATOM 0 HD12 LEU A 69 14.970 3.942 -9.282 1.00 0.00 H new ATOM 0 HD13 LEU A 69 13.903 4.583 -10.554 1.00 0.00 H new ATOM 0 HD21 LEU A 69 11.287 3.586 -9.272 1.00 0.00 H new ATOM 0 HD22 LEU A 69 11.674 3.400 -10.999 1.00 0.00 H new ATOM 0 HD23 LEU A 69 11.257 1.973 -10.022 1.00 0.00 H new ATOM 1068 N PRO A 70 13.521 -0.579 -12.946 1.00 0.00 N ATOM 1069 CA PRO A 70 14.100 -1.292 -14.089 1.00 0.00 C ATOM 1070 C PRO A 70 15.207 -0.494 -14.770 1.00 0.00 C ATOM 1071 O PRO A 70 16.024 -1.051 -15.504 1.00 0.00 O ATOM 1072 CB PRO A 70 12.910 -1.470 -15.035 1.00 0.00 C ATOM 1073 CG PRO A 70 11.979 -0.360 -14.687 1.00 0.00 C ATOM 1074 CD PRO A 70 12.144 -0.130 -13.210 1.00 0.00 C ATOM 0 HA PRO A 70 14.569 -2.230 -13.790 1.00 0.00 H new ATOM 0 HB2 PRO A 70 13.222 -1.413 -16.078 1.00 0.00 H new ATOM 0 HB3 PRO A 70 12.436 -2.442 -14.897 1.00 0.00 H new ATOM 0 HG2 PRO A 70 12.218 0.541 -15.252 1.00 0.00 H new ATOM 0 HG3 PRO A 70 10.949 -0.624 -14.928 1.00 0.00 H new ATOM 0 HD2 PRO A 70 12.007 0.919 -12.949 1.00 0.00 H new ATOM 0 HD3 PRO A 70 11.418 -0.700 -12.631 1.00 0.00 H new ATOM 1082 N ARG A 71 15.227 0.811 -14.522 1.00 0.00 N ATOM 1083 CA ARG A 71 16.234 1.685 -15.112 1.00 0.00 C ATOM 1084 C ARG A 71 17.431 1.844 -14.179 1.00 0.00 C ATOM 1085 O ARG A 71 18.564 1.529 -14.545 1.00 0.00 O ATOM 1086 CB ARG A 71 15.631 3.056 -15.424 1.00 0.00 C ATOM 1087 CG ARG A 71 16.615 4.024 -16.061 1.00 0.00 C ATOM 1088 CD ARG A 71 17.100 3.518 -17.410 1.00 0.00 C ATOM 1089 NE ARG A 71 18.159 4.359 -17.962 1.00 0.00 N ATOM 1090 CZ ARG A 71 18.812 4.077 -19.083 1.00 0.00 C ATOM 1091 NH1 ARG A 71 18.516 2.982 -19.769 1.00 0.00 N ATOM 1092 NH2 ARG A 71 19.763 4.892 -19.521 1.00 0.00 N ATOM 0 H ARG A 71 14.558 1.287 -13.917 1.00 0.00 H new ATOM 0 HA ARG A 71 16.577 1.227 -16.040 1.00 0.00 H new ATOM 0 HB2 ARG A 71 14.779 2.925 -16.091 1.00 0.00 H new ATOM 0 HB3 ARG A 71 15.249 3.494 -14.502 1.00 0.00 H new ATOM 0 HG2 ARG A 71 16.141 4.997 -16.185 1.00 0.00 H new ATOM 0 HG3 ARG A 71 17.467 4.167 -15.397 1.00 0.00 H new ATOM 0 HD2 ARG A 71 17.466 2.497 -17.304 1.00 0.00 H new ATOM 0 HD3 ARG A 71 16.263 3.485 -18.107 1.00 0.00 H new ATOM 0 HE ARG A 71 18.411 5.210 -17.459 1.00 0.00 H new ATOM 0 HH11 ARG A 71 17.785 2.354 -19.436 1.00 0.00 H new ATOM 0 HH12 ARG A 71 19.019 2.768 -20.630 1.00 0.00 H new ATOM 0 HH21 ARG A 71 19.993 5.736 -18.996 1.00 0.00 H new ATOM 0 HH22 ARG A 71 20.264 4.675 -20.382 1.00 0.00 H new ATOM 1106 N LEU A 72 17.172 2.335 -12.972 1.00 0.00 N ATOM 1107 CA LEU A 72 18.227 2.537 -11.985 1.00 0.00 C ATOM 1108 C LEU A 72 18.367 1.317 -11.080 1.00 0.00 C ATOM 1109 O LEU A 72 17.494 0.449 -11.052 1.00 0.00 O ATOM 1110 CB LEU A 72 17.934 3.780 -11.143 1.00 0.00 C ATOM 1111 CG LEU A 72 17.506 5.028 -11.916 1.00 0.00 C ATOM 1112 CD1 LEU A 72 16.822 6.021 -10.989 1.00 0.00 C ATOM 1113 CD2 LEU A 72 18.705 5.671 -12.598 1.00 0.00 C ATOM 0 H LEU A 72 16.240 2.601 -12.653 1.00 0.00 H new ATOM 0 HA LEU A 72 19.167 2.680 -12.518 1.00 0.00 H new ATOM 0 HB2 LEU A 72 17.150 3.533 -10.428 1.00 0.00 H new ATOM 0 HB3 LEU A 72 18.827 4.022 -10.566 1.00 0.00 H new ATOM 0 HG LEU A 72 16.794 4.729 -12.685 1.00 0.00 H new ATOM 0 HD11 LEU A 72 16.524 6.903 -11.556 1.00 0.00 H new ATOM 0 HD12 LEU A 72 15.939 5.558 -10.548 1.00 0.00 H new ATOM 0 HD13 LEU A 72 17.512 6.315 -10.198 1.00 0.00 H new ATOM 0 HD21 LEU A 72 18.381 6.558 -13.143 1.00 0.00 H new ATOM 0 HD22 LEU A 72 19.441 5.956 -11.847 1.00 0.00 H new ATOM 0 HD23 LEU A 72 19.152 4.961 -13.293 1.00 0.00 H new ATOM 1125 N SER A 73 19.469 1.258 -10.341 1.00 0.00 N ATOM 1126 CA SER A 73 19.724 0.144 -9.435 1.00 0.00 C ATOM 1127 C SER A 73 19.356 0.514 -8.001 1.00 0.00 C ATOM 1128 O SER A 73 20.142 0.314 -7.075 1.00 0.00 O ATOM 1129 CB SER A 73 21.195 -0.271 -9.505 1.00 0.00 C ATOM 1130 OG SER A 73 21.392 -1.551 -8.928 1.00 0.00 O ATOM 0 H SER A 73 20.200 1.969 -10.351 1.00 0.00 H new ATOM 0 HA SER A 73 19.102 -0.695 -9.746 1.00 0.00 H new ATOM 0 HB2 SER A 73 21.524 -0.283 -10.544 1.00 0.00 H new ATOM 0 HB3 SER A 73 21.809 0.464 -8.985 1.00 0.00 H new ATOM 0 HG SER A 73 21.122 -1.530 -7.986 1.00 0.00 H new ATOM 1136 N LEU A 74 18.155 1.055 -7.827 1.00 0.00 N ATOM 1137 CA LEU A 74 17.681 1.453 -6.506 1.00 0.00 C ATOM 1138 C LEU A 74 16.208 1.098 -6.327 1.00 0.00 C ATOM 1139 O LEU A 74 15.506 0.814 -7.296 1.00 0.00 O ATOM 1140 CB LEU A 74 17.884 2.956 -6.302 1.00 0.00 C ATOM 1141 CG LEU A 74 19.300 3.480 -6.538 1.00 0.00 C ATOM 1142 CD1 LEU A 74 19.487 3.877 -7.994 1.00 0.00 C ATOM 1143 CD2 LEU A 74 19.593 4.658 -5.620 1.00 0.00 C ATOM 0 H LEU A 74 17.492 1.228 -8.583 1.00 0.00 H new ATOM 0 HA LEU A 74 18.260 0.910 -5.759 1.00 0.00 H new ATOM 0 HB2 LEU A 74 17.206 3.488 -6.969 1.00 0.00 H new ATOM 0 HB3 LEU A 74 17.591 3.207 -5.283 1.00 0.00 H new ATOM 0 HG LEU A 74 20.005 2.681 -6.307 1.00 0.00 H new ATOM 0 HD11 LEU A 74 20.501 4.248 -8.143 1.00 0.00 H new ATOM 0 HD12 LEU A 74 19.321 3.009 -8.632 1.00 0.00 H new ATOM 0 HD13 LEU A 74 18.773 4.659 -8.252 1.00 0.00 H new ATOM 0 HD21 LEU A 74 20.606 5.018 -5.802 1.00 0.00 H new ATOM 0 HD22 LEU A 74 18.882 5.460 -5.818 1.00 0.00 H new ATOM 0 HD23 LEU A 74 19.502 4.341 -4.581 1.00 0.00 H new ATOM 1155 N ASN A 75 15.747 1.119 -5.080 1.00 0.00 N ATOM 1156 CA ASN A 75 14.357 0.801 -4.774 1.00 0.00 C ATOM 1157 C ASN A 75 13.497 2.061 -4.779 1.00 0.00 C ATOM 1158 O ASN A 75 13.694 2.963 -3.966 1.00 0.00 O ATOM 1159 CB ASN A 75 14.259 0.108 -3.413 1.00 0.00 C ATOM 1160 CG ASN A 75 15.139 -1.124 -3.327 1.00 0.00 C ATOM 1161 OD1 ASN A 75 15.700 -1.571 -4.328 1.00 0.00 O ATOM 1162 ND2 ASN A 75 15.263 -1.679 -2.127 1.00 0.00 N ATOM 0 H ASN A 75 16.315 1.353 -4.266 1.00 0.00 H new ATOM 0 HA ASN A 75 13.986 0.126 -5.546 1.00 0.00 H new ATOM 0 HB2 ASN A 75 14.544 0.810 -2.629 1.00 0.00 H new ATOM 0 HB3 ASN A 75 13.223 -0.175 -3.226 1.00 0.00 H new ATOM 0 HD21 ASN A 75 15.842 -2.510 -2.007 1.00 0.00 H new ATOM 0 HD22 ASN A 75 14.779 -1.274 -1.325 1.00 0.00 H new ATOM 1169 N GLY A 76 12.541 2.115 -5.701 1.00 0.00 N ATOM 1170 CA GLY A 76 11.664 3.268 -5.794 1.00 0.00 C ATOM 1171 C GLY A 76 10.225 2.930 -5.461 1.00 0.00 C ATOM 1172 O GLY A 76 9.761 1.822 -5.729 1.00 0.00 O ATOM 0 H GLY A 76 12.358 1.381 -6.385 1.00 0.00 H new ATOM 0 HA2 GLY A 76 12.018 4.045 -5.116 1.00 0.00 H new ATOM 0 HA3 GLY A 76 11.714 3.678 -6.803 1.00 0.00 H new ATOM 1176 N VAL A 77 9.515 3.888 -4.872 1.00 0.00 N ATOM 1177 CA VAL A 77 8.120 3.687 -4.500 1.00 0.00 C ATOM 1178 C VAL A 77 7.190 4.000 -5.667 1.00 0.00 C ATOM 1179 O VAL A 77 7.151 5.129 -6.157 1.00 0.00 O ATOM 1180 CB VAL A 77 7.728 4.562 -3.296 1.00 0.00 C ATOM 1181 CG1 VAL A 77 6.311 4.245 -2.843 1.00 0.00 C ATOM 1182 CG2 VAL A 77 8.716 4.372 -2.155 1.00 0.00 C ATOM 0 H VAL A 77 9.884 4.811 -4.642 1.00 0.00 H new ATOM 0 HA VAL A 77 8.014 2.637 -4.226 1.00 0.00 H new ATOM 0 HB VAL A 77 7.760 5.607 -3.604 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.052 4.874 -1.991 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.616 4.438 -3.660 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.248 3.196 -2.553 1.00 0.00 H new ATOM 0 HG21 VAL A 77 8.423 4.998 -1.312 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.719 3.327 -1.847 1.00 0.00 H new ATOM 0 HG23 VAL A 77 9.715 4.655 -2.488 1.00 0.00 H new ATOM 1192 N ARG A 78 6.441 2.994 -6.107 1.00 0.00 N ATOM 1193 CA ARG A 78 5.511 3.162 -7.217 1.00 0.00 C ATOM 1194 C ARG A 78 4.110 3.489 -6.708 1.00 0.00 C ATOM 1195 O ARG A 78 3.496 2.693 -5.997 1.00 0.00 O ATOM 1196 CB ARG A 78 5.472 1.895 -8.073 1.00 0.00 C ATOM 1197 CG ARG A 78 5.167 0.634 -7.281 1.00 0.00 C ATOM 1198 CD ARG A 78 5.089 -0.586 -8.185 1.00 0.00 C ATOM 1199 NE ARG A 78 6.408 -1.014 -8.643 1.00 0.00 N ATOM 1200 CZ ARG A 78 6.599 -1.991 -9.523 1.00 0.00 C ATOM 1201 NH1 ARG A 78 5.562 -2.636 -10.038 1.00 0.00 N ATOM 1202 NH2 ARG A 78 7.830 -2.322 -9.890 1.00 0.00 N ATOM 0 H ARG A 78 6.460 2.054 -5.712 1.00 0.00 H new ATOM 0 HA ARG A 78 5.860 3.994 -7.828 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.719 2.016 -8.852 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.433 1.776 -8.574 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.939 0.481 -6.527 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.223 0.756 -6.750 1.00 0.00 H new ATOM 0 HD2 ARG A 78 4.609 -1.404 -7.649 1.00 0.00 H new ATOM 0 HD3 ARG A 78 4.462 -0.359 -9.047 1.00 0.00 H new ATOM 0 HE ARG A 78 7.227 -0.537 -8.267 1.00 0.00 H new ATOM 0 HH11 ARG A 78 4.614 -2.383 -9.759 1.00 0.00 H new ATOM 0 HH12 ARG A 78 5.712 -3.386 -10.713 1.00 0.00 H new ATOM 0 HH21 ARG A 78 8.630 -1.826 -9.497 1.00 0.00 H new ATOM 0 HH22 ARG A 78 7.976 -3.072 -10.566 1.00 0.00 H new ATOM 1216 N PHE A 79 3.612 4.664 -7.076 1.00 0.00 N ATOM 1217 CA PHE A 79 2.284 5.097 -6.655 1.00 0.00 C ATOM 1218 C PHE A 79 1.237 4.736 -7.705 1.00 0.00 C ATOM 1219 O PHE A 79 1.547 4.601 -8.888 1.00 0.00 O ATOM 1220 CB PHE A 79 2.273 6.606 -6.404 1.00 0.00 C ATOM 1221 CG PHE A 79 3.159 7.032 -5.269 1.00 0.00 C ATOM 1222 CD1 PHE A 79 4.520 6.772 -5.300 1.00 0.00 C ATOM 1223 CD2 PHE A 79 2.632 7.693 -4.172 1.00 0.00 C ATOM 1224 CE1 PHE A 79 5.337 7.162 -4.256 1.00 0.00 C ATOM 1225 CE2 PHE A 79 3.444 8.086 -3.125 1.00 0.00 C ATOM 1226 CZ PHE A 79 4.799 7.821 -3.168 1.00 0.00 C ATOM 0 H PHE A 79 4.107 5.334 -7.665 1.00 0.00 H new ATOM 0 HA PHE A 79 2.036 4.580 -5.728 1.00 0.00 H new ATOM 0 HB2 PHE A 79 2.588 7.119 -7.312 1.00 0.00 H new ATOM 0 HB3 PHE A 79 1.251 6.924 -6.196 1.00 0.00 H new ATOM 0 HD1 PHE A 79 4.947 6.259 -6.149 1.00 0.00 H new ATOM 0 HD2 PHE A 79 1.573 7.904 -4.134 1.00 0.00 H new ATOM 0 HE1 PHE A 79 6.396 6.952 -4.291 1.00 0.00 H new ATOM 0 HE2 PHE A 79 3.020 8.599 -2.275 1.00 0.00 H new ATOM 0 HZ PHE A 79 5.437 8.129 -2.352 1.00 0.00 H new ATOM 1236 N LYS A 80 -0.006 4.581 -7.262 1.00 0.00 N ATOM 1237 CA LYS A 80 -1.102 4.236 -8.160 1.00 0.00 C ATOM 1238 C LYS A 80 -2.404 4.887 -7.705 1.00 0.00 C ATOM 1239 O LYS A 80 -2.958 4.526 -6.666 1.00 0.00 O ATOM 1240 CB LYS A 80 -1.274 2.717 -8.229 1.00 0.00 C ATOM 1241 CG LYS A 80 -2.548 2.281 -8.932 1.00 0.00 C ATOM 1242 CD LYS A 80 -2.567 0.780 -9.170 1.00 0.00 C ATOM 1243 CE LYS A 80 -3.405 0.420 -10.387 1.00 0.00 C ATOM 1244 NZ LYS A 80 -3.919 -0.976 -10.312 1.00 0.00 N ATOM 0 H LYS A 80 -0.280 4.689 -6.285 1.00 0.00 H new ATOM 0 HA LYS A 80 -0.857 4.612 -9.153 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -0.417 2.286 -8.747 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -1.271 2.313 -7.217 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.412 2.566 -8.332 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -2.636 2.803 -9.885 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -1.548 0.420 -9.309 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -2.966 0.276 -8.290 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -4.243 1.112 -10.469 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.805 0.538 -11.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -4.485 -1.183 -11.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -3.119 -1.638 -10.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -4.512 -1.082 -9.465 1.00 0.00 H new ATOM 1258 N ARG A 81 -2.888 5.845 -8.488 1.00 0.00 N ATOM 1259 CA ARG A 81 -4.125 6.544 -8.165 1.00 0.00 C ATOM 1260 C ARG A 81 -5.340 5.722 -8.584 1.00 0.00 C ATOM 1261 O ARG A 81 -5.602 5.547 -9.775 1.00 0.00 O ATOM 1262 CB ARG A 81 -4.158 7.911 -8.853 1.00 0.00 C ATOM 1263 CG ARG A 81 -5.309 8.793 -8.398 1.00 0.00 C ATOM 1264 CD ARG A 81 -5.383 10.076 -9.212 1.00 0.00 C ATOM 1265 NE ARG A 81 -5.558 9.809 -10.638 1.00 0.00 N ATOM 1266 CZ ARG A 81 -4.551 9.565 -11.468 1.00 0.00 C ATOM 1267 NH1 ARG A 81 -3.304 9.552 -11.018 1.00 0.00 N ATOM 1268 NH2 ARG A 81 -4.790 9.332 -12.753 1.00 0.00 N ATOM 0 H ARG A 81 -2.442 6.155 -9.351 1.00 0.00 H new ATOM 0 HA ARG A 81 -4.160 6.687 -7.085 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -3.218 8.428 -8.662 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -4.227 7.764 -9.931 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -6.247 8.246 -8.492 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.187 9.037 -7.343 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -6.212 10.686 -8.853 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -4.472 10.655 -9.060 1.00 0.00 H new ATOM 0 HE ARG A 81 -6.505 9.810 -11.016 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -3.116 9.730 -10.031 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -2.533 9.364 -11.658 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -5.748 9.340 -13.103 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -4.016 9.145 -13.390 1.00 0.00 H new ATOM 1282 N ILE A 82 -6.077 5.220 -7.599 1.00 0.00 N ATOM 1283 CA ILE A 82 -7.264 4.417 -7.866 1.00 0.00 C ATOM 1284 C ILE A 82 -8.448 5.298 -8.253 1.00 0.00 C ATOM 1285 O ILE A 82 -9.039 5.127 -9.319 1.00 0.00 O ATOM 1286 CB ILE A 82 -7.652 3.563 -6.646 1.00 0.00 C ATOM 1287 CG1 ILE A 82 -6.593 2.488 -6.391 1.00 0.00 C ATOM 1288 CG2 ILE A 82 -9.019 2.928 -6.856 1.00 0.00 C ATOM 1289 CD1 ILE A 82 -5.528 2.910 -5.403 1.00 0.00 C ATOM 0 H ILE A 82 -5.873 5.355 -6.609 1.00 0.00 H new ATOM 0 HA ILE A 82 -7.018 3.757 -8.698 1.00 0.00 H new ATOM 0 HB ILE A 82 -7.705 4.210 -5.770 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -7.083 1.587 -6.022 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -6.117 2.227 -7.336 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -9.279 2.327 -5.984 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -9.766 3.710 -6.994 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -8.993 2.292 -7.740 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -4.812 2.099 -5.271 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -5.011 3.793 -5.780 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -5.992 3.143 -4.445 1.00 0.00 H new ATOM 1301 N SER A 83 -8.786 6.242 -7.381 1.00 0.00 N ATOM 1302 CA SER A 83 -9.901 7.149 -7.630 1.00 0.00 C ATOM 1303 C SER A 83 -9.525 8.582 -7.268 1.00 0.00 C ATOM 1304 O SER A 83 -8.399 8.856 -6.855 1.00 0.00 O ATOM 1305 CB SER A 83 -11.129 6.713 -6.829 1.00 0.00 C ATOM 1306 OG SER A 83 -12.297 7.368 -7.290 1.00 0.00 O ATOM 0 H SER A 83 -8.304 6.399 -6.496 1.00 0.00 H new ATOM 0 HA SER A 83 -10.138 7.112 -8.693 1.00 0.00 H new ATOM 0 HB2 SER A 83 -11.257 5.634 -6.912 1.00 0.00 H new ATOM 0 HB3 SER A 83 -10.976 6.936 -5.773 1.00 0.00 H new ATOM 0 HG SER A 83 -13.068 7.071 -6.763 1.00 0.00 H new ATOM 1312 N GLY A 84 -10.479 9.495 -7.428 1.00 0.00 N ATOM 1313 CA GLY A 84 -10.230 10.890 -7.114 1.00 0.00 C ATOM 1314 C GLY A 84 -9.564 11.631 -8.256 1.00 0.00 C ATOM 1315 O GLY A 84 -8.696 11.085 -8.939 1.00 0.00 O ATOM 0 H GLY A 84 -11.419 9.293 -7.769 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -11.173 11.378 -6.869 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -9.599 10.953 -6.227 1.00 0.00 H new ATOM 1319 N THR A 85 -9.970 12.880 -8.467 1.00 0.00 N ATOM 1320 CA THR A 85 -9.408 13.696 -9.536 1.00 0.00 C ATOM 1321 C THR A 85 -7.921 13.946 -9.314 1.00 0.00 C ATOM 1322 O THR A 85 -7.442 13.927 -8.180 1.00 0.00 O ATOM 1323 CB THR A 85 -10.134 15.050 -9.649 1.00 0.00 C ATOM 1324 OG1 THR A 85 -10.010 15.563 -10.980 1.00 0.00 O ATOM 1325 CG2 THR A 85 -9.563 16.054 -8.658 1.00 0.00 C ATOM 0 H THR A 85 -10.686 13.348 -7.911 1.00 0.00 H new ATOM 0 HA THR A 85 -9.545 13.140 -10.463 1.00 0.00 H new ATOM 0 HB THR A 85 -11.187 14.893 -9.417 1.00 0.00 H new ATOM 0 HG1 THR A 85 -10.476 16.423 -11.044 1.00 0.00 H new ATOM 0 HG21 THR A 85 -10.091 17.003 -8.756 1.00 0.00 H new ATOM 0 HG22 THR A 85 -9.685 15.674 -7.644 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.503 16.206 -8.863 1.00 0.00 H new ATOM 1333 N SER A 86 -7.196 14.180 -10.403 1.00 0.00 N ATOM 1334 CA SER A 86 -5.761 14.431 -10.326 1.00 0.00 C ATOM 1335 C SER A 86 -5.439 15.402 -9.195 1.00 0.00 C ATOM 1336 O SER A 86 -4.676 15.079 -8.284 1.00 0.00 O ATOM 1337 CB SER A 86 -5.249 14.990 -11.655 1.00 0.00 C ATOM 1338 OG SER A 86 -6.075 16.044 -12.118 1.00 0.00 O ATOM 0 H SER A 86 -7.578 14.201 -11.349 1.00 0.00 H new ATOM 0 HA SER A 86 -5.261 13.484 -10.121 1.00 0.00 H new ATOM 0 HB2 SER A 86 -4.228 15.351 -11.532 1.00 0.00 H new ATOM 0 HB3 SER A 86 -5.218 14.195 -12.400 1.00 0.00 H new ATOM 0 HG SER A 86 -5.725 16.385 -12.968 1.00 0.00 H new ATOM 1344 N ILE A 87 -6.027 16.592 -9.259 1.00 0.00 N ATOM 1345 CA ILE A 87 -5.804 17.610 -8.240 1.00 0.00 C ATOM 1346 C ILE A 87 -5.730 16.989 -6.850 1.00 0.00 C ATOM 1347 O ILE A 87 -4.783 17.229 -6.101 1.00 0.00 O ATOM 1348 CB ILE A 87 -6.916 18.675 -8.256 1.00 0.00 C ATOM 1349 CG1 ILE A 87 -6.767 19.581 -9.480 1.00 0.00 C ATOM 1350 CG2 ILE A 87 -6.881 19.496 -6.976 1.00 0.00 C ATOM 1351 CD1 ILE A 87 -7.406 19.017 -10.730 1.00 0.00 C ATOM 0 H ILE A 87 -6.661 16.875 -10.006 1.00 0.00 H new ATOM 0 HA ILE A 87 -4.852 18.087 -8.473 1.00 0.00 H new ATOM 0 HB ILE A 87 -7.881 18.171 -8.315 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -7.212 20.551 -9.260 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -5.707 19.752 -9.669 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -7.673 20.245 -7.002 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -7.030 18.840 -6.119 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -5.915 19.993 -6.889 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.262 19.712 -11.558 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -6.945 18.060 -10.975 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -8.473 18.872 -10.560 1.00 0.00 H new ATOM 1363 N ALA A 88 -6.735 16.188 -6.511 1.00 0.00 N ATOM 1364 CA ALA A 88 -6.782 15.528 -5.212 1.00 0.00 C ATOM 1365 C ALA A 88 -5.559 14.642 -5.001 1.00 0.00 C ATOM 1366 O ALA A 88 -4.887 14.729 -3.974 1.00 0.00 O ATOM 1367 CB ALA A 88 -8.058 14.710 -5.082 1.00 0.00 C ATOM 0 H ALA A 88 -7.528 15.980 -7.118 1.00 0.00 H new ATOM 0 HA ALA A 88 -6.777 16.298 -4.441 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -8.080 14.223 -4.107 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -8.923 15.367 -5.179 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -8.087 13.954 -5.867 1.00 0.00 H new ATOM 1373 N PHE A 89 -5.276 13.790 -5.981 1.00 0.00 N ATOM 1374 CA PHE A 89 -4.134 12.886 -5.901 1.00 0.00 C ATOM 1375 C PHE A 89 -2.841 13.662 -5.670 1.00 0.00 C ATOM 1376 O PHE A 89 -2.093 13.382 -4.733 1.00 0.00 O ATOM 1377 CB PHE A 89 -4.023 12.057 -7.183 1.00 0.00 C ATOM 1378 CG PHE A 89 -2.897 11.063 -7.158 1.00 0.00 C ATOM 1379 CD1 PHE A 89 -2.698 10.249 -6.055 1.00 0.00 C ATOM 1380 CD2 PHE A 89 -2.037 10.944 -8.238 1.00 0.00 C ATOM 1381 CE1 PHE A 89 -1.663 9.334 -6.029 1.00 0.00 C ATOM 1382 CE2 PHE A 89 -1.001 10.030 -8.218 1.00 0.00 C ATOM 1383 CZ PHE A 89 -0.812 9.225 -7.112 1.00 0.00 C ATOM 0 H PHE A 89 -5.821 13.707 -6.839 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.291 12.216 -5.055 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.961 11.527 -7.346 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.885 12.729 -8.030 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.360 10.331 -5.205 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.178 11.573 -9.105 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -1.519 8.705 -5.163 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.339 9.945 -9.067 1.00 0.00 H new ATOM 0 HZ PHE A 89 -0.001 8.512 -7.094 1.00 0.00 H new ATOM 1393 N LYS A 90 -2.584 14.640 -6.532 1.00 0.00 N ATOM 1394 CA LYS A 90 -1.382 15.459 -6.424 1.00 0.00 C ATOM 1395 C LYS A 90 -1.305 16.135 -5.059 1.00 0.00 C ATOM 1396 O LYS A 90 -0.233 16.232 -4.464 1.00 0.00 O ATOM 1397 CB LYS A 90 -1.359 16.517 -7.530 1.00 0.00 C ATOM 1398 CG LYS A 90 -2.572 17.431 -7.522 1.00 0.00 C ATOM 1399 CD LYS A 90 -2.404 18.588 -8.493 1.00 0.00 C ATOM 1400 CE LYS A 90 -2.630 18.147 -9.931 1.00 0.00 C ATOM 1401 NZ LYS A 90 -1.853 18.975 -10.894 1.00 0.00 N ATOM 0 H LYS A 90 -3.192 14.885 -7.313 1.00 0.00 H new ATOM 0 HA LYS A 90 -0.517 14.806 -6.536 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -0.458 17.122 -7.424 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -1.297 16.018 -8.497 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -3.462 16.859 -7.786 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -2.730 17.819 -6.516 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -3.107 19.382 -8.240 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -1.402 19.006 -8.393 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -2.344 17.101 -10.039 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -3.692 18.214 -10.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -2.034 18.643 -11.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -2.143 19.970 -10.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -0.838 18.891 -10.684 1.00 0.00 H new ATOM 1415 N ASN A 91 -2.450 16.599 -4.568 1.00 0.00 N ATOM 1416 CA ASN A 91 -2.511 17.264 -3.272 1.00 0.00 C ATOM 1417 C ASN A 91 -1.973 16.358 -2.169 1.00 0.00 C ATOM 1418 O ASN A 91 -0.870 16.566 -1.664 1.00 0.00 O ATOM 1419 CB ASN A 91 -3.951 17.675 -2.954 1.00 0.00 C ATOM 1420 CG ASN A 91 -4.278 19.069 -3.451 1.00 0.00 C ATOM 1421 OD1 ASN A 91 -3.711 19.537 -4.439 1.00 0.00 O ATOM 1422 ND2 ASN A 91 -5.197 19.741 -2.767 1.00 0.00 N ATOM 0 H ASN A 91 -3.347 16.527 -5.048 1.00 0.00 H new ATOM 0 HA ASN A 91 -1.887 18.157 -3.320 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -4.638 16.960 -3.407 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -4.109 17.630 -1.876 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -5.458 20.684 -3.055 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -5.641 19.314 -1.954 1.00 0.00 H new ATOM 1429 N ILE A 92 -2.760 15.353 -1.800 1.00 0.00 N ATOM 1430 CA ILE A 92 -2.362 14.414 -0.759 1.00 0.00 C ATOM 1431 C ILE A 92 -0.963 13.866 -1.018 1.00 0.00 C ATOM 1432 O ILE A 92 -0.112 13.861 -0.128 1.00 0.00 O ATOM 1433 CB ILE A 92 -3.350 13.238 -0.653 1.00 0.00 C ATOM 1434 CG1 ILE A 92 -2.920 12.280 0.459 1.00 0.00 C ATOM 1435 CG2 ILE A 92 -3.445 12.505 -1.983 1.00 0.00 C ATOM 1436 CD1 ILE A 92 -3.125 12.838 1.850 1.00 0.00 C ATOM 0 H ILE A 92 -3.677 15.168 -2.207 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.365 14.966 0.181 1.00 0.00 H new ATOM 0 HB ILE A 92 -4.336 13.632 -0.406 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -3.480 11.350 0.363 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -1.867 12.033 0.327 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -4.147 11.676 -1.892 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -3.793 13.193 -2.754 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -2.463 12.120 -2.257 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -2.799 12.105 2.588 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -2.543 13.752 1.965 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -4.182 13.059 2.001 1.00 0.00 H new ATOM 1448 N ALA A 93 -0.731 13.407 -2.243 1.00 0.00 N ATOM 1449 CA ALA A 93 0.567 12.860 -2.621 1.00 0.00 C ATOM 1450 C ALA A 93 1.700 13.777 -2.174 1.00 0.00 C ATOM 1451 O ALA A 93 2.654 13.335 -1.534 1.00 0.00 O ATOM 1452 CB ALA A 93 0.628 12.637 -4.125 1.00 0.00 C ATOM 0 H ALA A 93 -1.425 13.403 -2.991 1.00 0.00 H new ATOM 0 HA ALA A 93 0.690 11.901 -2.117 1.00 0.00 H new ATOM 0 HB1 ALA A 93 1.602 12.229 -4.393 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.153 11.937 -4.421 1.00 0.00 H new ATOM 0 HB3 ALA A 93 0.478 13.586 -4.640 1.00 0.00 H new ATOM 1458 N SER A 94 1.589 15.057 -2.516 1.00 0.00 N ATOM 1459 CA SER A 94 2.608 16.036 -2.154 1.00 0.00 C ATOM 1460 C SER A 94 2.980 15.912 -0.679 1.00 0.00 C ATOM 1461 O SER A 94 4.088 16.263 -0.275 1.00 0.00 O ATOM 1462 CB SER A 94 2.111 17.453 -2.449 1.00 0.00 C ATOM 1463 OG SER A 94 2.395 17.824 -3.786 1.00 0.00 O ATOM 0 H SER A 94 0.804 15.440 -3.043 1.00 0.00 H new ATOM 0 HA SER A 94 3.497 15.838 -2.753 1.00 0.00 H new ATOM 0 HB2 SER A 94 1.037 17.509 -2.273 1.00 0.00 H new ATOM 0 HB3 SER A 94 2.583 18.157 -1.764 1.00 0.00 H new ATOM 0 HG SER A 94 1.687 17.489 -4.376 1.00 0.00 H new ATOM 1469 N LYS A 95 2.045 15.410 0.120 1.00 0.00 N ATOM 1470 CA LYS A 95 2.272 15.237 1.550 1.00 0.00 C ATOM 1471 C LYS A 95 3.152 14.020 1.818 1.00 0.00 C ATOM 1472 O LYS A 95 4.244 14.142 2.372 1.00 0.00 O ATOM 1473 CB LYS A 95 0.939 15.088 2.285 1.00 0.00 C ATOM 1474 CG LYS A 95 -0.036 16.220 2.013 1.00 0.00 C ATOM 1475 CD LYS A 95 0.369 17.492 2.739 1.00 0.00 C ATOM 1476 CE LYS A 95 -0.251 18.723 2.096 1.00 0.00 C ATOM 1477 NZ LYS A 95 0.243 19.982 2.718 1.00 0.00 N ATOM 0 H LYS A 95 1.122 15.115 -0.199 1.00 0.00 H new ATOM 0 HA LYS A 95 2.786 16.124 1.920 1.00 0.00 H new ATOM 0 HB2 LYS A 95 0.477 14.144 1.994 1.00 0.00 H new ATOM 0 HB3 LYS A 95 1.129 15.033 3.357 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -0.083 16.411 0.941 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -1.036 15.923 2.328 1.00 0.00 H new ATOM 0 HD2 LYS A 95 0.060 17.431 3.782 1.00 0.00 H new ATOM 0 HD3 LYS A 95 1.455 17.585 2.733 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -0.022 18.730 1.030 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -1.336 18.674 2.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -0.203 20.798 2.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 0.002 19.987 3.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 1.275 20.042 2.607 1.00 0.00 H new ATOM 1491 N ILE A 96 2.668 12.847 1.420 1.00 0.00 N ATOM 1492 CA ILE A 96 3.412 11.609 1.616 1.00 0.00 C ATOM 1493 C ILE A 96 4.805 11.702 1.003 1.00 0.00 C ATOM 1494 O ILE A 96 5.811 11.655 1.711 1.00 0.00 O ATOM 1495 CB ILE A 96 2.673 10.406 1.002 1.00 0.00 C ATOM 1496 CG1 ILE A 96 1.208 10.400 1.443 1.00 0.00 C ATOM 1497 CG2 ILE A 96 3.357 9.106 1.398 1.00 0.00 C ATOM 1498 CD1 ILE A 96 1.027 10.536 2.939 1.00 0.00 C ATOM 0 H ILE A 96 1.765 12.729 0.961 1.00 0.00 H new ATOM 0 HA ILE A 96 3.500 11.461 2.692 1.00 0.00 H new ATOM 0 HB ILE A 96 2.705 10.494 -0.084 1.00 0.00 H new ATOM 0 HG12 ILE A 96 0.684 11.216 0.946 1.00 0.00 H new ATOM 0 HG13 ILE A 96 0.741 9.473 1.111 1.00 0.00 H new ATOM 0 HG21 ILE A 96 2.823 8.265 0.956 1.00 0.00 H new ATOM 0 HG22 ILE A 96 4.386 9.112 1.038 1.00 0.00 H new ATOM 0 HG23 ILE A 96 3.353 9.009 2.484 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -0.036 10.524 3.179 1.00 0.00 H new ATOM 0 HD12 ILE A 96 1.522 9.706 3.442 1.00 0.00 H new ATOM 0 HD13 ILE A 96 1.464 11.476 3.274 1.00 0.00 H new ATOM 1510 N ALA A 97 4.857 11.836 -0.319 1.00 0.00 N ATOM 1511 CA ALA A 97 6.126 11.940 -1.027 1.00 0.00 C ATOM 1512 C ALA A 97 7.130 12.773 -0.236 1.00 0.00 C ATOM 1513 O ALA A 97 8.304 12.420 -0.141 1.00 0.00 O ATOM 1514 CB ALA A 97 5.912 12.540 -2.409 1.00 0.00 C ATOM 0 H ALA A 97 4.034 11.875 -0.920 1.00 0.00 H new ATOM 0 HA ALA A 97 6.535 10.936 -1.138 1.00 0.00 H new ATOM 0 HB1 ALA A 97 6.869 12.612 -2.927 1.00 0.00 H new ATOM 0 HB2 ALA A 97 5.237 11.904 -2.981 1.00 0.00 H new ATOM 0 HB3 ALA A 97 5.477 13.535 -2.310 1.00 0.00 H new ATOM 1520 N ASN A 98 6.658 13.880 0.328 1.00 0.00 N ATOM 1521 CA ASN A 98 7.516 14.764 1.110 1.00 0.00 C ATOM 1522 C ASN A 98 7.902 14.114 2.435 1.00 0.00 C ATOM 1523 O ASN A 98 9.081 13.889 2.705 1.00 0.00 O ATOM 1524 CB ASN A 98 6.809 16.096 1.369 1.00 0.00 C ATOM 1525 CG ASN A 98 7.699 17.093 2.085 1.00 0.00 C ATOM 1526 OD1 ASN A 98 8.408 17.875 1.452 1.00 0.00 O ATOM 1527 ND2 ASN A 98 7.665 17.069 3.412 1.00 0.00 N ATOM 0 H ASN A 98 5.688 14.186 0.259 1.00 0.00 H new ATOM 0 HA ASN A 98 8.425 14.948 0.538 1.00 0.00 H new ATOM 0 HB2 ASN A 98 6.482 16.521 0.420 1.00 0.00 H new ATOM 0 HB3 ASN A 98 5.913 15.919 1.965 1.00 0.00 H new ATOM 0 HD21 ASN A 98 8.242 17.717 3.949 1.00 0.00 H new ATOM 0 HD22 ASN A 98 7.062 16.403 3.895 1.00 0.00 H new ATOM 1534 N GLU A 99 6.901 13.816 3.256 1.00 0.00 N ATOM 1535 CA GLU A 99 7.137 13.193 4.553 1.00 0.00 C ATOM 1536 C GLU A 99 8.151 12.059 4.435 1.00 0.00 C ATOM 1537 O GLU A 99 9.053 11.929 5.264 1.00 0.00 O ATOM 1538 CB GLU A 99 5.825 12.661 5.135 1.00 0.00 C ATOM 1539 CG GLU A 99 5.078 13.677 5.982 1.00 0.00 C ATOM 1540 CD GLU A 99 5.966 14.338 7.018 1.00 0.00 C ATOM 1541 OE1 GLU A 99 6.591 15.369 6.693 1.00 0.00 O ATOM 1542 OE2 GLU A 99 6.035 13.824 8.154 1.00 0.00 O ATOM 0 H GLU A 99 5.919 13.996 3.047 1.00 0.00 H new ATOM 0 HA GLU A 99 7.542 13.951 5.223 1.00 0.00 H new ATOM 0 HB2 GLU A 99 5.180 12.337 4.318 1.00 0.00 H new ATOM 0 HB3 GLU A 99 6.037 11.781 5.742 1.00 0.00 H new ATOM 0 HG2 GLU A 99 4.651 14.442 5.333 1.00 0.00 H new ATOM 0 HG3 GLU A 99 4.245 13.184 6.484 1.00 0.00 H new ATOM 1549 N LEU A 100 7.997 11.241 3.400 1.00 0.00 N ATOM 1550 CA LEU A 100 8.898 10.117 3.173 1.00 0.00 C ATOM 1551 C LEU A 100 10.355 10.560 3.264 1.00 0.00 C ATOM 1552 O LEU A 100 10.954 10.969 2.269 1.00 0.00 O ATOM 1553 CB LEU A 100 8.629 9.490 1.804 1.00 0.00 C ATOM 1554 CG LEU A 100 7.297 8.754 1.653 1.00 0.00 C ATOM 1555 CD1 LEU A 100 7.184 8.131 0.271 1.00 0.00 C ATOM 1556 CD2 LEU A 100 7.150 7.691 2.733 1.00 0.00 C ATOM 0 H LEU A 100 7.257 11.335 2.705 1.00 0.00 H new ATOM 0 HA LEU A 100 8.714 9.374 3.949 1.00 0.00 H new ATOM 0 HB2 LEU A 100 8.674 10.277 1.051 1.00 0.00 H new ATOM 0 HB3 LEU A 100 9.435 8.790 1.582 1.00 0.00 H new ATOM 0 HG LEU A 100 6.490 9.477 1.770 1.00 0.00 H new ATOM 0 HD11 LEU A 100 6.230 7.612 0.183 1.00 0.00 H new ATOM 0 HD12 LEU A 100 7.243 8.913 -0.486 1.00 0.00 H new ATOM 0 HD13 LEU A 100 7.998 7.421 0.124 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.197 7.177 2.610 1.00 0.00 H new ATOM 0 HD22 LEU A 100 7.964 6.971 2.648 1.00 0.00 H new ATOM 0 HD23 LEU A 100 7.184 8.163 3.715 1.00 0.00 H new ATOM 1568 N LYS A 101 10.921 10.473 4.463 1.00 0.00 N ATOM 1569 CA LYS A 101 12.309 10.862 4.684 1.00 0.00 C ATOM 1570 C LYS A 101 13.262 9.769 4.211 1.00 0.00 C ATOM 1571 O LYS A 101 13.935 9.126 5.018 1.00 0.00 O ATOM 1572 CB LYS A 101 12.547 11.154 6.168 1.00 0.00 C ATOM 1573 CG LYS A 101 12.302 12.604 6.549 1.00 0.00 C ATOM 1574 CD LYS A 101 12.237 12.781 8.056 1.00 0.00 C ATOM 1575 CE LYS A 101 13.622 12.965 8.656 1.00 0.00 C ATOM 1576 NZ LYS A 101 13.576 13.722 9.938 1.00 0.00 N ATOM 0 H LYS A 101 10.440 10.136 5.297 1.00 0.00 H new ATOM 0 HA LYS A 101 12.504 11.765 4.106 1.00 0.00 H new ATOM 0 HB2 LYS A 101 11.896 10.515 6.764 1.00 0.00 H new ATOM 0 HB3 LYS A 101 13.573 10.889 6.422 1.00 0.00 H new ATOM 0 HG2 LYS A 101 13.098 13.227 6.143 1.00 0.00 H new ATOM 0 HG3 LYS A 101 11.369 12.946 6.101 1.00 0.00 H new ATOM 0 HD2 LYS A 101 11.618 13.646 8.295 1.00 0.00 H new ATOM 0 HD3 LYS A 101 11.757 11.911 8.505 1.00 0.00 H new ATOM 0 HE2 LYS A 101 14.076 11.989 8.827 1.00 0.00 H new ATOM 0 HE3 LYS A 101 14.258 13.493 7.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 14.540 13.826 10.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 13.166 14.663 9.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 12.990 13.206 10.625 1.00 0.00 H new ATOM 1590 N LEU A 102 13.315 9.564 2.900 1.00 0.00 N ATOM 1591 CA LEU A 102 14.187 8.549 2.319 1.00 0.00 C ATOM 1592 C LEU A 102 15.431 9.186 1.706 1.00 0.00 C ATOM 1593 O LEU A 102 16.543 8.687 1.874 1.00 0.00 O ATOM 1594 CB LEU A 102 13.434 7.748 1.256 1.00 0.00 C ATOM 1595 CG LEU A 102 12.103 7.136 1.694 1.00 0.00 C ATOM 1596 CD1 LEU A 102 11.232 6.829 0.486 1.00 0.00 C ATOM 1597 CD2 LEU A 102 12.341 5.877 2.516 1.00 0.00 C ATOM 0 H LEU A 102 12.765 10.087 2.219 1.00 0.00 H new ATOM 0 HA LEU A 102 14.501 7.876 3.117 1.00 0.00 H new ATOM 0 HB2 LEU A 102 13.248 8.400 0.403 1.00 0.00 H new ATOM 0 HB3 LEU A 102 14.083 6.945 0.908 1.00 0.00 H new ATOM 0 HG LEU A 102 11.580 7.861 2.318 1.00 0.00 H new ATOM 0 HD11 LEU A 102 10.289 6.394 0.818 1.00 0.00 H new ATOM 0 HD12 LEU A 102 11.034 7.750 -0.063 1.00 0.00 H new ATOM 0 HD13 LEU A 102 11.748 6.123 -0.165 1.00 0.00 H new ATOM 0 HD21 LEU A 102 11.383 5.454 2.820 1.00 0.00 H new ATOM 0 HD22 LEU A 102 12.885 5.148 1.916 1.00 0.00 H new ATOM 0 HD23 LEU A 102 12.925 6.126 3.402 1.00 0.00 H new TER 1609 LEU A 102