USER MOD reduce.3.24.130724 H: found=0, std=0, add=486, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 485 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 20 LYS NZ :NH3+ -165:sc= 0.0313 (180deg=0) USER MOD Set 1.2: A 33 TYR OH : rot 180:sc= 0.0314 USER MOD Set 2.1: A 21 TYR OH : rot -32:sc= 0.00146 USER MOD Set 2.2: A 32 HIS : no HD1:sc= -0.655 K(o=-0.65,f=-0.041) USER MOD Set 3.1: A 12 LYS NZ :NH3+ -157:sc= -0.113 (180deg=-0.741) USER MOD Set 3.2: A 13 ASN : amide:sc= 1.59 K(o=1.5,f=-8.8!) USER MOD Single : A 1 ARG N :NH3+ 167:sc= -0.0237 (180deg=-0.268) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 SER OG : rot 85:sc= 0.691 USER MOD Single : A 25 ASN : amide:sc= -1.95 K(o=-1.9,f=0.12) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -166:sc= -0.0913 (180deg=-0.451) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 ASN : amide:sc= 0.706 K(o=0.71,f=-0.061) USER MOD Single : A 39 THR OG1 : rot 56:sc= 0.431 USER MOD Single : A 40 SER OG : rot -51:sc= 0.145 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -170:sc= 0.0465 (180deg=-0.144) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl -172:sc= -0.366 (180deg=-0.447) USER MOD Single : A 51 LYS NZ :NH3+ 132:sc= 1.15 (180deg=-0.31) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -5.254 17.273 1.262 1.00 0.00 N ATOM 2 CA ARG A 1 -6.301 16.281 1.574 1.00 0.00 C ATOM 3 C ARG A 1 -7.235 16.096 0.374 1.00 0.00 C ATOM 4 O ARG A 1 -8.369 16.571 0.382 1.00 0.00 O ATOM 5 CB ARG A 1 -7.091 16.696 2.830 1.00 0.00 C ATOM 6 CG ARG A 1 -7.428 18.197 2.790 1.00 0.00 C ATOM 7 CD ARG A 1 -8.431 18.532 3.902 1.00 0.00 C ATOM 8 NE ARG A 1 -9.729 17.878 3.668 1.00 0.00 N ATOM 9 CZ ARG A 1 -10.643 18.334 2.790 1.00 0.00 C ATOM 10 NH1 ARG A 1 -10.397 19.435 2.065 1.00 0.00 N ATOM 11 NH2 ARG A 1 -11.804 17.683 2.639 1.00 0.00 N ATOM 0 H1 ARG A 1 -4.768 17.552 2.138 1.00 0.00 H new ATOM 0 H2 ARG A 1 -4.566 16.856 0.602 1.00 0.00 H new ATOM 0 H3 ARG A 1 -5.689 18.111 0.825 1.00 0.00 H new ATOM 0 HA ARG A 1 -5.820 15.325 1.783 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -8.010 16.114 2.896 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -6.507 16.473 3.723 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -6.520 18.787 2.916 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -7.846 18.460 1.818 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -8.030 18.214 4.864 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -8.570 19.612 3.956 1.00 0.00 H new ATOM 0 HE ARG A 1 -9.948 17.035 4.199 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -9.513 19.932 2.177 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -11.093 19.775 1.402 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -11.994 16.845 3.188 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -12.498 18.026 1.975 1.00 0.00 H new ATOM 27 N LYS A 2 -6.746 15.400 -0.660 1.00 0.00 N ATOM 28 CA LYS A 2 -7.530 15.146 -1.862 1.00 0.00 C ATOM 29 C LYS A 2 -8.473 13.964 -1.627 1.00 0.00 C ATOM 30 O LYS A 2 -8.340 13.248 -0.634 1.00 0.00 O ATOM 31 CB LYS A 2 -6.585 14.855 -3.035 1.00 0.00 C ATOM 32 CG LYS A 2 -5.711 16.083 -3.318 1.00 0.00 C ATOM 33 CD LYS A 2 -5.009 15.932 -4.674 1.00 0.00 C ATOM 34 CE LYS A 2 -4.022 14.759 -4.630 1.00 0.00 C ATOM 35 NZ LYS A 2 -3.198 14.714 -5.852 1.00 0.00 N ATOM 0 H LYS A 2 -5.806 15.004 -0.682 1.00 0.00 H new ATOM 0 HA LYS A 2 -8.130 16.025 -2.100 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -5.956 13.996 -2.802 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -7.162 14.596 -3.923 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -6.325 16.984 -3.316 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -4.970 16.201 -2.528 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -5.748 15.766 -5.458 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -4.481 16.852 -4.923 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -3.378 14.854 -3.756 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -4.569 13.823 -4.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -2.539 13.911 -5.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -3.814 14.600 -6.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -2.659 15.599 -5.940 1.00 0.00 H new ATOM 49 N ARG A 3 -9.424 13.765 -2.546 1.00 0.00 N ATOM 50 CA ARG A 3 -10.382 12.671 -2.451 1.00 0.00 C ATOM 51 C ARG A 3 -9.751 11.388 -3.007 1.00 0.00 C ATOM 52 O ARG A 3 -8.530 11.311 -3.147 1.00 0.00 O ATOM 53 CB ARG A 3 -11.654 13.045 -3.226 1.00 0.00 C ATOM 54 CG ARG A 3 -12.215 14.370 -2.696 1.00 0.00 C ATOM 55 CD ARG A 3 -13.649 14.568 -3.198 1.00 0.00 C ATOM 56 NE ARG A 3 -13.694 14.659 -4.663 1.00 0.00 N ATOM 57 CZ ARG A 3 -14.839 14.796 -5.355 1.00 0.00 C ATOM 58 NH1 ARG A 3 -16.012 14.859 -4.711 1.00 0.00 N ATOM 59 NH2 ARG A 3 -14.805 14.870 -6.692 1.00 0.00 N ATOM 0 H ARG A 3 -9.547 14.356 -3.369 1.00 0.00 H new ATOM 0 HA ARG A 3 -10.651 12.495 -1.409 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -11.430 13.134 -4.289 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -12.399 12.256 -3.122 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -12.199 14.372 -1.606 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -11.588 15.198 -3.026 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -14.271 13.738 -2.864 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -14.067 15.475 -2.762 1.00 0.00 H new ATOM 0 HE ARG A 3 -12.816 14.616 -5.180 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -16.038 14.803 -3.693 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -16.879 14.963 -5.239 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -13.912 14.822 -7.183 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -15.672 14.974 -7.219 1.00 0.00 H new ATOM 73 N GLN A 4 -10.589 10.386 -3.319 1.00 0.00 N ATOM 74 CA GLN A 4 -10.128 9.106 -3.855 1.00 0.00 C ATOM 75 C GLN A 4 -9.159 8.450 -2.869 1.00 0.00 C ATOM 76 O GLN A 4 -7.977 8.278 -3.167 1.00 0.00 O ATOM 77 CB GLN A 4 -9.475 9.309 -5.232 1.00 0.00 C ATOM 78 CG GLN A 4 -10.471 9.973 -6.189 1.00 0.00 C ATOM 79 CD GLN A 4 -9.900 10.051 -7.600 1.00 0.00 C ATOM 80 OE1 GLN A 4 -10.432 9.439 -8.521 1.00 0.00 O ATOM 81 NE2 GLN A 4 -8.816 10.809 -7.767 1.00 0.00 N ATOM 0 H GLN A 4 -11.601 10.445 -3.205 1.00 0.00 H new ATOM 0 HA GLN A 4 -10.981 8.441 -3.987 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -8.584 9.929 -5.134 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -9.153 8.349 -5.637 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -11.403 9.408 -6.200 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -10.710 10.975 -5.833 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -8.409 11.299 -6.971 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -8.394 10.899 -8.691 1.00 0.00 H new ATOM 90 N ALA A 5 -9.675 8.084 -1.689 1.00 0.00 N ATOM 91 CA ALA A 5 -8.874 7.448 -0.657 1.00 0.00 C ATOM 92 C ALA A 5 -8.605 5.988 -1.025 1.00 0.00 C ATOM 93 O ALA A 5 -9.083 5.500 -2.050 1.00 0.00 O ATOM 94 CB ALA A 5 -9.616 7.541 0.680 1.00 0.00 C ATOM 0 H ALA A 5 -10.652 8.223 -1.432 1.00 0.00 H new ATOM 0 HA ALA A 5 -7.914 7.957 -0.570 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -9.021 7.066 1.460 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -9.778 8.589 0.934 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -10.578 7.035 0.598 1.00 0.00 H new ATOM 100 N TRP A 6 -7.834 5.296 -0.183 1.00 0.00 N ATOM 101 CA TRP A 6 -7.496 3.900 -0.408 1.00 0.00 C ATOM 102 C TRP A 6 -8.660 3.004 0.000 1.00 0.00 C ATOM 103 O TRP A 6 -9.543 3.424 0.748 1.00 0.00 O ATOM 104 CB TRP A 6 -6.261 3.541 0.417 1.00 0.00 C ATOM 105 CG TRP A 6 -4.950 3.868 -0.218 1.00 0.00 C ATOM 106 CD1 TRP A 6 -4.591 5.060 -0.716 1.00 0.00 C ATOM 107 CD2 TRP A 6 -3.800 2.999 -0.423 1.00 0.00 C ATOM 108 NE1 TRP A 6 -3.311 5.018 -1.214 1.00 0.00 N ATOM 109 CE2 TRP A 6 -2.767 3.756 -1.057 1.00 0.00 C ATOM 110 CE3 TRP A 6 -3.518 1.645 -0.138 1.00 0.00 C ATOM 111 CZ2 TRP A 6 -1.528 3.199 -1.384 1.00 0.00 C ATOM 112 CZ3 TRP A 6 -2.273 1.080 -0.471 1.00 0.00 C ATOM 113 CH2 TRP A 6 -1.278 1.857 -1.087 1.00 0.00 C ATOM 0 H TRP A 6 -7.431 5.690 0.667 1.00 0.00 H new ATOM 0 HA TRP A 6 -7.289 3.749 -1.467 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -6.321 4.059 1.374 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -6.286 2.472 0.631 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -5.223 5.936 -0.725 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -2.828 5.809 -1.641 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -4.268 1.035 0.342 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -0.770 3.801 -1.862 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -2.081 0.040 -0.251 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -0.322 1.418 -1.330 1.00 0.00 H new ATOM 124 N LEU A 7 -8.642 1.759 -0.486 1.00 0.00 N ATOM 125 CA LEU A 7 -9.650 0.776 -0.133 1.00 0.00 C ATOM 126 C LEU A 7 -9.149 -0.012 1.074 1.00 0.00 C ATOM 127 O LEU A 7 -7.952 -0.261 1.195 1.00 0.00 O ATOM 128 CB LEU A 7 -9.904 -0.160 -1.323 1.00 0.00 C ATOM 129 CG LEU A 7 -10.346 0.641 -2.560 1.00 0.00 C ATOM 130 CD1 LEU A 7 -10.439 -0.300 -3.764 1.00 0.00 C ATOM 131 CD2 LEU A 7 -11.716 1.284 -2.312 1.00 0.00 C ATOM 0 H LEU A 7 -7.930 1.414 -1.130 1.00 0.00 H new ATOM 0 HA LEU A 7 -10.590 1.268 0.116 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.997 -0.720 -1.551 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -10.672 -0.888 -1.062 1.00 0.00 H new ATOM 0 HG LEU A 7 -9.615 1.426 -2.756 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -10.752 0.264 -4.643 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.464 -0.750 -3.950 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -11.167 -1.084 -3.558 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -12.018 1.848 -3.194 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -12.452 0.506 -2.109 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -11.653 1.956 -1.456 1.00 0.00 H new ATOM 143 N TRP A 8 -10.067 -0.404 1.964 1.00 0.00 N ATOM 144 CA TRP A 8 -9.717 -1.154 3.166 1.00 0.00 C ATOM 145 C TRP A 8 -8.860 -2.374 2.808 1.00 0.00 C ATOM 146 O TRP A 8 -7.924 -2.712 3.531 1.00 0.00 O ATOM 147 CB TRP A 8 -11.001 -1.586 3.883 1.00 0.00 C ATOM 148 CG TRP A 8 -11.895 -2.487 3.086 1.00 0.00 C ATOM 149 CD1 TRP A 8 -12.849 -2.085 2.227 1.00 0.00 C ATOM 150 CD2 TRP A 8 -11.938 -3.948 3.053 1.00 0.00 C ATOM 151 NE1 TRP A 8 -13.485 -3.160 1.658 1.00 0.00 N ATOM 152 CE2 TRP A 8 -12.962 -4.348 2.135 1.00 0.00 C ATOM 153 CE3 TRP A 8 -11.221 -4.981 3.701 1.00 0.00 C ATOM 154 CZ2 TRP A 8 -13.253 -5.691 1.878 1.00 0.00 C ATOM 155 CZ3 TRP A 8 -11.514 -6.338 3.443 1.00 0.00 C ATOM 156 CH2 TRP A 8 -12.527 -6.691 2.534 1.00 0.00 C ATOM 0 H TRP A 8 -11.064 -0.210 1.869 1.00 0.00 H new ATOM 0 HA TRP A 8 -9.132 -0.518 3.831 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -10.730 -2.093 4.809 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -11.563 -0.694 4.161 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -13.084 -1.053 2.013 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -14.241 -3.092 0.976 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -10.439 -4.728 4.402 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -14.032 -5.955 1.178 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -10.955 -7.112 3.948 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -12.744 -7.732 2.343 1.00 0.00 H new ATOM 167 N GLU A 9 -9.184 -3.030 1.686 1.00 0.00 N ATOM 168 CA GLU A 9 -8.455 -4.202 1.234 1.00 0.00 C ATOM 169 C GLU A 9 -7.007 -3.826 0.913 1.00 0.00 C ATOM 170 O GLU A 9 -6.081 -4.510 1.347 1.00 0.00 O ATOM 171 CB GLU A 9 -9.171 -4.785 0.004 1.00 0.00 C ATOM 172 CG GLU A 9 -8.455 -6.050 -0.499 1.00 0.00 C ATOM 173 CD GLU A 9 -8.439 -7.154 0.556 1.00 0.00 C ATOM 174 OE1 GLU A 9 -9.327 -7.125 1.437 1.00 0.00 O ATOM 175 OE2 GLU A 9 -7.533 -8.010 0.469 1.00 0.00 O ATOM 0 H GLU A 9 -9.955 -2.758 1.076 1.00 0.00 H new ATOM 0 HA GLU A 9 -8.431 -4.959 2.018 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.204 -5.024 0.258 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -9.203 -4.040 -0.791 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -8.951 -6.415 -1.398 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -7.431 -5.801 -0.779 1.00 0.00 H new ATOM 182 N GLU A 10 -6.815 -2.737 0.155 1.00 0.00 N ATOM 183 CA GLU A 10 -5.483 -2.282 -0.220 1.00 0.00 C ATOM 184 C GLU A 10 -4.679 -1.927 1.030 1.00 0.00 C ATOM 185 O GLU A 10 -3.557 -2.397 1.191 1.00 0.00 O ATOM 186 CB GLU A 10 -5.589 -1.067 -1.144 1.00 0.00 C ATOM 187 CG GLU A 10 -6.179 -1.474 -2.495 1.00 0.00 C ATOM 188 CD GLU A 10 -6.161 -0.293 -3.455 1.00 0.00 C ATOM 189 OE1 GLU A 10 -6.948 0.648 -3.214 1.00 0.00 O ATOM 190 OE2 GLU A 10 -5.352 -0.343 -4.411 1.00 0.00 O ATOM 0 H GLU A 10 -7.573 -2.158 -0.208 1.00 0.00 H new ATOM 0 HA GLU A 10 -4.969 -3.084 -0.750 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -6.215 -0.304 -0.682 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.603 -0.625 -1.289 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.607 -2.302 -2.915 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.201 -1.828 -2.362 1.00 0.00 H new ATOM 197 N ASP A 11 -5.251 -1.094 1.910 1.00 0.00 N ATOM 198 CA ASP A 11 -4.576 -0.669 3.133 1.00 0.00 C ATOM 199 C ASP A 11 -4.153 -1.887 3.953 1.00 0.00 C ATOM 200 O ASP A 11 -3.014 -1.968 4.410 1.00 0.00 O ATOM 201 CB ASP A 11 -5.516 0.221 3.955 1.00 0.00 C ATOM 202 CG ASP A 11 -5.767 1.554 3.262 1.00 0.00 C ATOM 203 OD1 ASP A 11 -4.764 2.214 2.916 1.00 0.00 O ATOM 204 OD2 ASP A 11 -6.959 1.891 3.094 1.00 0.00 O ATOM 0 H ASP A 11 -6.185 -0.702 1.792 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.683 -0.101 2.870 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -6.464 -0.294 4.110 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -5.084 0.397 4.940 1.00 0.00 H new ATOM 209 N LYS A 12 -5.075 -2.833 4.137 1.00 0.00 N ATOM 210 CA LYS A 12 -4.808 -4.038 4.904 1.00 0.00 C ATOM 211 C LYS A 12 -3.661 -4.825 4.279 1.00 0.00 C ATOM 212 O LYS A 12 -2.704 -5.182 4.964 1.00 0.00 O ATOM 213 CB LYS A 12 -6.076 -4.889 4.942 1.00 0.00 C ATOM 214 CG LYS A 12 -5.777 -6.246 5.588 1.00 0.00 C ATOM 215 CD LYS A 12 -7.068 -7.053 5.696 1.00 0.00 C ATOM 216 CE LYS A 12 -7.151 -8.093 4.569 1.00 0.00 C ATOM 217 NZ LYS A 12 -7.199 -7.457 3.241 1.00 0.00 N ATOM 0 H LYS A 12 -6.021 -2.781 3.759 1.00 0.00 H new ATOM 0 HA LYS A 12 -4.517 -3.767 5.919 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.854 -4.373 5.505 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.457 -5.034 3.931 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.044 -6.790 4.993 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.342 -6.102 6.577 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.111 -7.553 6.664 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -7.927 -6.384 5.645 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.289 -8.757 4.623 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -8.038 -8.711 4.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -7.634 -8.110 2.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -7.764 -6.585 3.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -6.233 -7.226 2.932 1.00 0.00 H new ATOM 231 N ASN A 13 -3.770 -5.105 2.977 1.00 0.00 N ATOM 232 CA ASN A 13 -2.770 -5.880 2.260 1.00 0.00 C ATOM 233 C ASN A 13 -1.422 -5.171 2.293 1.00 0.00 C ATOM 234 O ASN A 13 -0.385 -5.821 2.363 1.00 0.00 O ATOM 235 CB ASN A 13 -3.234 -6.088 0.821 1.00 0.00 C ATOM 236 CG ASN A 13 -4.474 -6.977 0.769 1.00 0.00 C ATOM 237 OD1 ASN A 13 -4.890 -7.527 1.788 1.00 0.00 O ATOM 238 ND2 ASN A 13 -5.066 -7.118 -0.416 1.00 0.00 N ATOM 0 H ASN A 13 -4.552 -4.800 2.398 1.00 0.00 H new ATOM 0 HA ASN A 13 -2.650 -6.850 2.742 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -3.454 -5.124 0.363 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -2.432 -6.542 0.239 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -5.899 -7.701 -0.504 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -4.687 -6.643 -1.235 1.00 0.00 H new ATOM 245 N LEU A 14 -1.443 -3.841 2.245 1.00 0.00 N ATOM 246 CA LEU A 14 -0.232 -3.051 2.281 1.00 0.00 C ATOM 247 C LEU A 14 0.428 -3.179 3.651 1.00 0.00 C ATOM 248 O LEU A 14 1.638 -3.367 3.738 1.00 0.00 O ATOM 249 CB LEU A 14 -0.585 -1.588 1.982 1.00 0.00 C ATOM 250 CG LEU A 14 0.676 -0.710 1.974 1.00 0.00 C ATOM 251 CD1 LEU A 14 1.407 -0.861 0.637 1.00 0.00 C ATOM 252 CD2 LEU A 14 0.270 0.750 2.172 1.00 0.00 C ATOM 0 H LEU A 14 -2.299 -3.290 2.180 1.00 0.00 H new ATOM 0 HA LEU A 14 0.472 -3.409 1.530 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.086 -1.521 1.016 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.286 -1.218 2.731 1.00 0.00 H new ATOM 0 HG LEU A 14 1.341 -1.021 2.780 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.300 -0.236 0.638 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.694 -1.903 0.495 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.749 -0.552 -0.175 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.160 1.379 2.167 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.395 1.056 1.364 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.246 0.858 3.126 1.00 0.00 H new ATOM 264 N ARG A 15 -0.363 -3.068 4.725 1.00 0.00 N ATOM 265 CA ARG A 15 0.182 -3.109 6.071 1.00 0.00 C ATOM 266 C ARG A 15 0.704 -4.509 6.381 1.00 0.00 C ATOM 267 O ARG A 15 1.832 -4.661 6.840 1.00 0.00 O ATOM 268 CB ARG A 15 -0.895 -2.673 7.071 1.00 0.00 C ATOM 269 CG ARG A 15 -0.249 -2.393 8.434 1.00 0.00 C ATOM 270 CD ARG A 15 -1.193 -1.549 9.298 1.00 0.00 C ATOM 271 NE ARG A 15 -1.315 -0.173 8.782 1.00 0.00 N ATOM 272 CZ ARG A 15 -0.422 0.804 9.048 1.00 0.00 C ATOM 273 NH1 ARG A 15 0.717 0.525 9.695 1.00 0.00 N ATOM 274 NH2 ARG A 15 -0.675 2.061 8.662 1.00 0.00 N ATOM 0 H ARG A 15 -1.375 -2.950 4.681 1.00 0.00 H new ATOM 0 HA ARG A 15 1.022 -2.419 6.152 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -1.403 -1.780 6.708 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -1.651 -3.452 7.169 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -0.023 -3.332 8.939 1.00 0.00 H new ATOM 0 HG3 ARG A 15 0.697 -1.870 8.297 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -2.177 -2.016 9.326 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -0.823 -1.523 10.323 1.00 0.00 H new ATOM 0 HE ARG A 15 -2.117 0.053 8.193 1.00 0.00 H new ATOM 0 HH11 ARG A 15 0.915 -0.431 9.990 1.00 0.00 H new ATOM 0 HH12 ARG A 15 1.387 1.269 9.892 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -1.541 2.278 8.168 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -0.002 2.801 8.862 1.00 0.00 H new ATOM 288 N SER A 16 -0.118 -5.528 6.128 1.00 0.00 N ATOM 289 CA SER A 16 0.255 -6.908 6.390 1.00 0.00 C ATOM 290 C SER A 16 1.414 -7.326 5.483 1.00 0.00 C ATOM 291 O SER A 16 2.380 -7.930 5.944 1.00 0.00 O ATOM 292 CB SER A 16 -0.961 -7.809 6.156 1.00 0.00 C ATOM 293 OG SER A 16 -2.084 -7.278 6.825 1.00 0.00 O ATOM 0 H SER A 16 -1.054 -5.416 5.738 1.00 0.00 H new ATOM 0 HA SER A 16 0.583 -7.006 7.425 1.00 0.00 H new ATOM 0 HB2 SER A 16 -1.166 -7.889 5.088 1.00 0.00 H new ATOM 0 HB3 SER A 16 -0.754 -8.816 6.517 1.00 0.00 H new ATOM 0 HG SER A 16 -2.517 -6.608 6.256 1.00 0.00 H new ATOM 299 N GLY A 17 1.306 -7.007 4.190 1.00 0.00 N ATOM 300 CA GLY A 17 2.313 -7.374 3.210 1.00 0.00 C ATOM 301 C GLY A 17 3.671 -6.785 3.567 1.00 0.00 C ATOM 302 O GLY A 17 4.628 -7.527 3.770 1.00 0.00 O ATOM 0 H GLY A 17 0.518 -6.489 3.802 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.389 -8.460 3.152 1.00 0.00 H new ATOM 0 HA3 GLY A 17 2.009 -7.023 2.224 1.00 0.00 H new ATOM 306 N VAL A 18 3.761 -5.453 3.633 1.00 0.00 N ATOM 307 CA VAL A 18 5.023 -4.780 3.918 1.00 0.00 C ATOM 308 C VAL A 18 5.598 -5.260 5.255 1.00 0.00 C ATOM 309 O VAL A 18 6.810 -5.401 5.384 1.00 0.00 O ATOM 310 CB VAL A 18 4.810 -3.260 3.917 1.00 0.00 C ATOM 311 CG1 VAL A 18 6.103 -2.563 4.345 1.00 0.00 C ATOM 312 CG2 VAL A 18 4.436 -2.792 2.506 1.00 0.00 C ATOM 0 H VAL A 18 2.972 -4.823 3.492 1.00 0.00 H new ATOM 0 HA VAL A 18 5.746 -5.028 3.141 1.00 0.00 H new ATOM 0 HB VAL A 18 4.007 -3.011 4.611 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.952 -1.484 4.344 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.378 -2.890 5.348 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.902 -2.818 3.648 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.285 -1.712 2.509 1.00 0.00 H new ATOM 0 HG22 VAL A 18 5.239 -3.045 1.814 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.517 -3.286 2.191 1.00 0.00 H new ATOM 322 N ARG A 19 4.737 -5.512 6.249 1.00 0.00 N ATOM 323 CA ARG A 19 5.186 -5.980 7.554 1.00 0.00 C ATOM 324 C ARG A 19 5.897 -7.332 7.412 1.00 0.00 C ATOM 325 O ARG A 19 6.979 -7.522 7.962 1.00 0.00 O ATOM 326 CB ARG A 19 3.975 -6.092 8.497 1.00 0.00 C ATOM 327 CG ARG A 19 4.409 -6.572 9.893 1.00 0.00 C ATOM 328 CD ARG A 19 4.970 -5.402 10.708 1.00 0.00 C ATOM 329 NE ARG A 19 3.898 -4.477 11.103 1.00 0.00 N ATOM 330 CZ ARG A 19 4.102 -3.421 11.911 1.00 0.00 C ATOM 331 NH1 ARG A 19 5.335 -3.136 12.347 1.00 0.00 N ATOM 332 NH2 ARG A 19 3.068 -2.654 12.279 1.00 0.00 N ATOM 0 H ARG A 19 3.727 -5.398 6.168 1.00 0.00 H new ATOM 0 HA ARG A 19 5.896 -5.269 7.976 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.481 -5.124 8.578 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.247 -6.787 8.079 1.00 0.00 H new ATOM 0 HG2 ARG A 19 3.559 -7.012 10.414 1.00 0.00 H new ATOM 0 HG3 ARG A 19 5.164 -7.353 9.798 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.474 -5.781 11.597 1.00 0.00 H new ATOM 0 HD3 ARG A 19 5.717 -4.869 10.120 1.00 0.00 H new ATOM 0 HE ARG A 19 2.956 -4.643 10.748 1.00 0.00 H new ATOM 0 HH11 ARG A 19 6.123 -3.720 12.067 1.00 0.00 H new ATOM 0 HH12 ARG A 19 5.487 -2.335 12.960 1.00 0.00 H new ATOM 0 HH21 ARG A 19 2.128 -2.871 11.947 1.00 0.00 H new ATOM 0 HH22 ARG A 19 3.220 -1.853 12.892 1.00 0.00 H new ATOM 346 N LYS A 20 5.278 -8.271 6.685 1.00 0.00 N ATOM 347 CA LYS A 20 5.829 -9.611 6.519 1.00 0.00 C ATOM 348 C LYS A 20 7.052 -9.597 5.598 1.00 0.00 C ATOM 349 O LYS A 20 8.136 -10.006 6.007 1.00 0.00 O ATOM 350 CB LYS A 20 4.745 -10.535 5.951 1.00 0.00 C ATOM 351 CG LYS A 20 3.686 -10.818 7.026 1.00 0.00 C ATOM 352 CD LYS A 20 2.698 -11.881 6.527 1.00 0.00 C ATOM 353 CE LYS A 20 1.911 -11.350 5.324 1.00 0.00 C ATOM 354 NZ LYS A 20 0.818 -12.268 4.953 1.00 0.00 N ATOM 0 H LYS A 20 4.392 -8.121 6.203 1.00 0.00 H new ATOM 0 HA LYS A 20 6.153 -9.980 7.492 1.00 0.00 H new ATOM 0 HB2 LYS A 20 4.279 -10.072 5.081 1.00 0.00 H new ATOM 0 HB3 LYS A 20 5.192 -11.470 5.613 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.169 -11.160 7.941 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.151 -9.900 7.271 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.237 -12.786 6.247 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.011 -12.154 7.328 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.500 -10.368 5.560 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.583 -11.219 4.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.469 -12.026 4.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.171 -13.246 4.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.042 -12.180 5.640 1.00 0.00 H new ATOM 368 N TYR A 21 6.873 -9.143 4.352 1.00 0.00 N ATOM 369 CA TYR A 21 7.950 -9.137 3.368 1.00 0.00 C ATOM 370 C TYR A 21 9.089 -8.217 3.811 1.00 0.00 C ATOM 371 O TYR A 21 10.252 -8.615 3.758 1.00 0.00 O ATOM 372 CB TYR A 21 7.391 -8.719 2.004 1.00 0.00 C ATOM 373 CG TYR A 21 6.643 -9.842 1.312 1.00 0.00 C ATOM 374 CD1 TYR A 21 7.356 -10.821 0.598 1.00 0.00 C ATOM 375 CD2 TYR A 21 5.240 -9.920 1.396 1.00 0.00 C ATOM 376 CE1 TYR A 21 6.671 -11.877 -0.028 1.00 0.00 C ATOM 377 CE2 TYR A 21 4.556 -10.978 0.771 1.00 0.00 C ATOM 378 CZ TYR A 21 5.272 -11.956 0.062 1.00 0.00 C ATOM 379 OH TYR A 21 4.608 -12.986 -0.539 1.00 0.00 O ATOM 0 H TYR A 21 5.987 -8.775 4.005 1.00 0.00 H new ATOM 0 HA TYR A 21 8.364 -10.142 3.283 1.00 0.00 H new ATOM 0 HB2 TYR A 21 6.722 -7.868 2.135 1.00 0.00 H new ATOM 0 HB3 TYR A 21 8.210 -8.386 1.366 1.00 0.00 H new ATOM 0 HD1 TYR A 21 8.432 -10.762 0.530 1.00 0.00 H new ATOM 0 HD2 TYR A 21 4.689 -9.167 1.940 1.00 0.00 H new ATOM 0 HE1 TYR A 21 7.220 -12.627 -0.578 1.00 0.00 H new ATOM 0 HE2 TYR A 21 3.480 -11.038 0.836 1.00 0.00 H new ATOM 0 HH TYR A 21 5.088 -13.257 -1.349 1.00 0.00 H new ATOM 389 N GLY A 22 8.760 -6.996 4.250 1.00 0.00 N ATOM 390 CA GLY A 22 9.760 -6.043 4.715 1.00 0.00 C ATOM 391 C GLY A 22 9.574 -4.688 4.037 1.00 0.00 C ATOM 392 O GLY A 22 9.079 -4.610 2.912 1.00 0.00 O ATOM 0 H GLY A 22 7.802 -6.649 4.291 1.00 0.00 H new ATOM 0 HA2 GLY A 22 9.684 -5.927 5.796 1.00 0.00 H new ATOM 0 HA3 GLY A 22 10.759 -6.426 4.505 1.00 0.00 H new ATOM 396 N GLU A 23 9.980 -3.620 4.735 1.00 0.00 N ATOM 397 CA GLU A 23 9.876 -2.263 4.224 1.00 0.00 C ATOM 398 C GLU A 23 11.057 -1.977 3.299 1.00 0.00 C ATOM 399 O GLU A 23 12.167 -1.723 3.764 1.00 0.00 O ATOM 400 CB GLU A 23 9.850 -1.291 5.410 1.00 0.00 C ATOM 401 CG GLU A 23 9.603 0.136 4.916 1.00 0.00 C ATOM 402 CD GLU A 23 9.327 1.066 6.090 1.00 0.00 C ATOM 403 OE1 GLU A 23 8.239 0.921 6.686 1.00 0.00 O ATOM 404 OE2 GLU A 23 10.204 1.906 6.378 1.00 0.00 O ATOM 0 H GLU A 23 10.388 -3.681 5.668 1.00 0.00 H new ATOM 0 HA GLU A 23 8.959 -2.138 3.649 1.00 0.00 H new ATOM 0 HB2 GLU A 23 9.068 -1.582 6.111 1.00 0.00 H new ATOM 0 HB3 GLU A 23 10.796 -1.339 5.950 1.00 0.00 H new ATOM 0 HG2 GLU A 23 10.471 0.490 4.360 1.00 0.00 H new ATOM 0 HG3 GLU A 23 8.757 0.148 4.228 1.00 0.00 H new ATOM 411 N GLY A 24 10.814 -2.022 1.984 1.00 0.00 N ATOM 412 CA GLY A 24 11.854 -1.772 1.000 1.00 0.00 C ATOM 413 C GLY A 24 11.379 -2.201 -0.384 1.00 0.00 C ATOM 414 O GLY A 24 11.482 -1.437 -1.341 1.00 0.00 O ATOM 0 H GLY A 24 9.900 -2.231 1.583 1.00 0.00 H new ATOM 0 HA2 GLY A 24 12.112 -0.713 0.993 1.00 0.00 H new ATOM 0 HA3 GLY A 24 12.758 -2.318 1.268 1.00 0.00 H new ATOM 418 N ASN A 25 10.858 -3.429 -0.488 1.00 0.00 N ATOM 419 CA ASN A 25 10.367 -3.957 -1.753 1.00 0.00 C ATOM 420 C ASN A 25 8.954 -3.432 -2.006 1.00 0.00 C ATOM 421 O ASN A 25 8.174 -3.292 -1.068 1.00 0.00 O ATOM 422 CB ASN A 25 10.384 -5.492 -1.704 1.00 0.00 C ATOM 423 CG ASN A 25 10.817 -6.081 -3.044 1.00 0.00 C ATOM 424 OD1 ASN A 25 11.794 -6.819 -3.111 1.00 0.00 O ATOM 425 ND2 ASN A 25 10.091 -5.753 -4.110 1.00 0.00 N ATOM 0 H ASN A 25 10.768 -4.074 0.297 1.00 0.00 H new ATOM 0 HA ASN A 25 11.008 -3.630 -2.572 1.00 0.00 H new ATOM 0 HB2 ASN A 25 11.064 -5.826 -0.920 1.00 0.00 H new ATOM 0 HB3 ASN A 25 9.392 -5.861 -1.445 1.00 0.00 H new ATOM 0 HD21 ASN A 25 10.340 -6.119 -5.029 1.00 0.00 H new ATOM 0 HD22 ASN A 25 9.286 -5.135 -4.008 1.00 0.00 H new ATOM 432 N TRP A 26 8.633 -3.138 -3.277 1.00 0.00 N ATOM 433 CA TRP A 26 7.320 -2.613 -3.653 1.00 0.00 C ATOM 434 C TRP A 26 6.725 -3.441 -4.793 1.00 0.00 C ATOM 435 O TRP A 26 5.556 -3.815 -4.741 1.00 0.00 O ATOM 436 CB TRP A 26 7.472 -1.142 -4.052 1.00 0.00 C ATOM 437 CG TRP A 26 8.286 -0.337 -3.089 1.00 0.00 C ATOM 438 CD1 TRP A 26 9.446 0.283 -3.366 1.00 0.00 C ATOM 439 CD2 TRP A 26 8.042 -0.080 -1.672 1.00 0.00 C ATOM 440 NE1 TRP A 26 9.955 0.898 -2.250 1.00 0.00 N ATOM 441 CE2 TRP A 26 9.122 0.708 -1.163 1.00 0.00 C ATOM 442 CE3 TRP A 26 7.024 -0.437 -0.754 1.00 0.00 C ATOM 443 CZ2 TRP A 26 9.190 1.113 0.171 1.00 0.00 C ATOM 444 CZ3 TRP A 26 7.090 -0.030 0.594 1.00 0.00 C ATOM 445 CH2 TRP A 26 8.171 0.743 1.055 1.00 0.00 C ATOM 0 H TRP A 26 9.273 -3.258 -4.062 1.00 0.00 H new ATOM 0 HA TRP A 26 6.635 -2.681 -2.808 1.00 0.00 H new ATOM 0 HB2 TRP A 26 7.934 -1.088 -5.038 1.00 0.00 H new ATOM 0 HB3 TRP A 26 6.482 -0.695 -4.139 1.00 0.00 H new ATOM 0 HD1 TRP A 26 9.915 0.295 -4.339 1.00 0.00 H new ATOM 0 HE1 TRP A 26 10.829 1.424 -2.226 1.00 0.00 H new ATOM 0 HE3 TRP A 26 6.186 -1.029 -1.091 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 10.023 1.707 0.518 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 6.304 -0.314 1.278 1.00 0.00 H new ATOM 0 HH2 TRP A 26 8.214 1.050 2.089 1.00 0.00 H new ATOM 456 N SER A 27 7.533 -3.732 -5.822 1.00 0.00 N ATOM 457 CA SER A 27 7.082 -4.528 -6.959 1.00 0.00 C ATOM 458 C SER A 27 6.583 -5.891 -6.471 1.00 0.00 C ATOM 459 O SER A 27 5.522 -6.349 -6.883 1.00 0.00 O ATOM 460 CB SER A 27 8.237 -4.691 -7.951 1.00 0.00 C ATOM 461 OG SER A 27 7.811 -5.460 -9.056 1.00 0.00 O ATOM 0 H SER A 27 8.504 -3.425 -5.885 1.00 0.00 H new ATOM 0 HA SER A 27 6.257 -4.023 -7.462 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.581 -3.713 -8.287 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.083 -5.176 -7.463 1.00 0.00 H new ATOM 0 HG SER A 27 8.552 -5.561 -9.689 1.00 0.00 H new ATOM 467 N LYS A 28 7.357 -6.529 -5.586 1.00 0.00 N ATOM 468 CA LYS A 28 7.001 -7.823 -5.025 1.00 0.00 C ATOM 469 C LYS A 28 5.653 -7.726 -4.306 1.00 0.00 C ATOM 470 O LYS A 28 4.803 -8.603 -4.457 1.00 0.00 O ATOM 471 CB LYS A 28 8.113 -8.267 -4.066 1.00 0.00 C ATOM 472 CG LYS A 28 7.833 -9.683 -3.551 1.00 0.00 C ATOM 473 CD LYS A 28 8.941 -10.133 -2.583 1.00 0.00 C ATOM 474 CE LYS A 28 10.298 -10.239 -3.299 1.00 0.00 C ATOM 475 NZ LYS A 28 10.217 -11.101 -4.491 1.00 0.00 N ATOM 0 H LYS A 28 8.244 -6.159 -5.244 1.00 0.00 H new ATOM 0 HA LYS A 28 6.901 -8.565 -5.818 1.00 0.00 H new ATOM 0 HB2 LYS A 28 9.076 -8.242 -4.577 1.00 0.00 H new ATOM 0 HB3 LYS A 28 8.179 -7.574 -3.228 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.868 -9.708 -3.045 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.771 -10.376 -4.390 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.017 -9.424 -1.758 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.679 -11.099 -2.150 1.00 0.00 H new ATOM 0 HE2 LYS A 28 10.635 -9.244 -3.591 1.00 0.00 H new ATOM 0 HE3 LYS A 28 11.043 -10.638 -2.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 11.177 -11.343 -4.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.701 -11.972 -4.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.716 -10.597 -5.250 1.00 0.00 H new ATOM 489 N ILE A 29 5.460 -6.654 -3.528 1.00 0.00 N ATOM 490 CA ILE A 29 4.220 -6.448 -2.792 1.00 0.00 C ATOM 491 C ILE A 29 3.053 -6.363 -3.779 1.00 0.00 C ATOM 492 O ILE A 29 2.012 -6.965 -3.554 1.00 0.00 O ATOM 493 CB ILE A 29 4.308 -5.159 -1.948 1.00 0.00 C ATOM 494 CG1 ILE A 29 5.627 -5.104 -1.146 1.00 0.00 C ATOM 495 CG2 ILE A 29 3.114 -5.091 -0.987 1.00 0.00 C ATOM 496 CD1 ILE A 29 5.792 -6.336 -0.250 1.00 0.00 C ATOM 0 H ILE A 29 6.153 -5.917 -3.396 1.00 0.00 H new ATOM 0 HA ILE A 29 4.056 -7.288 -2.116 1.00 0.00 H new ATOM 0 HB ILE A 29 4.287 -4.305 -2.625 1.00 0.00 H new ATOM 0 HG12 ILE A 29 6.470 -5.038 -1.834 1.00 0.00 H new ATOM 0 HG13 ILE A 29 5.644 -4.203 -0.533 1.00 0.00 H new ATOM 0 HG21 ILE A 29 3.178 -4.180 -0.392 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.186 -5.087 -1.559 1.00 0.00 H new ATOM 0 HG23 ILE A 29 3.129 -5.958 -0.326 1.00 0.00 H new ATOM 0 HD11 ILE A 29 6.731 -6.263 0.299 1.00 0.00 H new ATOM 0 HD12 ILE A 29 4.962 -6.387 0.455 1.00 0.00 H new ATOM 0 HD13 ILE A 29 5.801 -7.235 -0.866 1.00 0.00 H new ATOM 508 N LEU A 30 3.239 -5.611 -4.872 1.00 0.00 N ATOM 509 CA LEU A 30 2.204 -5.440 -5.884 1.00 0.00 C ATOM 510 C LEU A 30 1.890 -6.773 -6.564 1.00 0.00 C ATOM 511 O LEU A 30 0.725 -7.097 -6.779 1.00 0.00 O ATOM 512 CB LEU A 30 2.674 -4.401 -6.910 1.00 0.00 C ATOM 513 CG LEU A 30 1.578 -4.164 -7.964 1.00 0.00 C ATOM 514 CD1 LEU A 30 1.443 -2.665 -8.231 1.00 0.00 C ATOM 515 CD2 LEU A 30 1.945 -4.878 -9.269 1.00 0.00 C ATOM 0 H LEU A 30 4.105 -5.111 -5.073 1.00 0.00 H new ATOM 0 HA LEU A 30 1.288 -5.088 -5.410 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.914 -3.464 -6.407 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.587 -4.745 -7.395 1.00 0.00 H new ATOM 0 HG LEU A 30 0.633 -4.559 -7.590 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.667 -2.497 -8.978 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.174 -2.154 -7.307 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.391 -2.274 -8.599 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.164 -4.706 -10.010 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.892 -4.489 -9.643 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.040 -5.948 -9.084 1.00 0.00 H new ATOM 527 N LEU A 31 2.930 -7.540 -6.909 1.00 0.00 N ATOM 528 CA LEU A 31 2.758 -8.821 -7.582 1.00 0.00 C ATOM 529 C LEU A 31 1.835 -9.729 -6.768 1.00 0.00 C ATOM 530 O LEU A 31 0.910 -10.321 -7.322 1.00 0.00 O ATOM 531 CB LEU A 31 4.129 -9.480 -7.785 1.00 0.00 C ATOM 532 CG LEU A 31 4.814 -8.895 -9.030 1.00 0.00 C ATOM 533 CD1 LEU A 31 6.324 -9.124 -8.940 1.00 0.00 C ATOM 534 CD2 LEU A 31 4.275 -9.578 -10.292 1.00 0.00 C ATOM 0 H LEU A 31 3.902 -7.289 -6.730 1.00 0.00 H new ATOM 0 HA LEU A 31 2.297 -8.658 -8.556 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.753 -9.318 -6.906 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.011 -10.558 -7.897 1.00 0.00 H new ATOM 0 HG LEU A 31 4.606 -7.826 -9.080 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.808 -8.709 -9.824 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.714 -8.633 -8.048 1.00 0.00 H new ATOM 0 HD13 LEU A 31 6.527 -10.193 -8.884 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.765 -9.158 -11.170 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.476 -10.648 -10.241 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.200 -9.414 -10.363 1.00 0.00 H new ATOM 546 N HIS A 32 2.084 -9.837 -5.459 1.00 0.00 N ATOM 547 CA HIS A 32 1.267 -10.675 -4.591 1.00 0.00 C ATOM 548 C HIS A 32 -0.079 -10.000 -4.329 1.00 0.00 C ATOM 549 O HIS A 32 -1.127 -10.549 -4.667 1.00 0.00 O ATOM 550 CB HIS A 32 2.015 -10.929 -3.280 1.00 0.00 C ATOM 551 CG HIS A 32 3.353 -11.583 -3.497 1.00 0.00 C ATOM 552 ND1 HIS A 32 3.513 -12.744 -4.244 1.00 0.00 N ATOM 553 CD2 HIS A 32 4.616 -11.255 -3.081 1.00 0.00 C ATOM 554 CE1 HIS A 32 4.830 -13.036 -4.230 1.00 0.00 C ATOM 555 NE2 HIS A 32 5.561 -12.163 -3.535 1.00 0.00 N ATOM 0 H HIS A 32 2.845 -9.353 -4.983 1.00 0.00 H new ATOM 0 HA HIS A 32 1.077 -11.632 -5.077 1.00 0.00 H new ATOM 0 HB2 HIS A 32 2.157 -9.983 -2.757 1.00 0.00 H new ATOM 0 HB3 HIS A 32 1.406 -11.561 -2.634 1.00 0.00 H new ATOM 0 HD2 HIS A 32 4.848 -10.393 -2.473 1.00 0.00 H new ATOM 0 HE1 HIS A 32 5.252 -13.894 -4.733 1.00 0.00 H new ATOM 0 HE2 HIS A 32 6.569 -12.163 -3.376 1.00 0.00 H new ATOM 563 N TYR A 33 -0.043 -8.808 -3.724 1.00 0.00 N ATOM 564 CA TYR A 33 -1.246 -8.058 -3.403 1.00 0.00 C ATOM 565 C TYR A 33 -1.566 -7.093 -4.541 1.00 0.00 C ATOM 566 O TYR A 33 -0.986 -6.014 -4.625 1.00 0.00 O ATOM 567 CB TYR A 33 -1.034 -7.303 -2.090 1.00 0.00 C ATOM 568 CG TYR A 33 -0.570 -8.193 -0.953 1.00 0.00 C ATOM 569 CD1 TYR A 33 -1.491 -9.014 -0.274 1.00 0.00 C ATOM 570 CD2 TYR A 33 0.785 -8.202 -0.576 1.00 0.00 C ATOM 571 CE1 TYR A 33 -1.055 -9.836 0.781 1.00 0.00 C ATOM 572 CE2 TYR A 33 1.218 -9.025 0.476 1.00 0.00 C ATOM 573 CZ TYR A 33 0.299 -9.840 1.157 1.00 0.00 C ATOM 574 OH TYR A 33 0.722 -10.637 2.182 1.00 0.00 O ATOM 0 H TYR A 33 0.822 -8.343 -3.447 1.00 0.00 H new ATOM 0 HA TYR A 33 -2.089 -8.738 -3.283 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -0.299 -6.514 -2.248 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -1.967 -6.817 -1.804 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -2.532 -9.013 -0.563 1.00 0.00 H new ATOM 0 HD2 TYR A 33 1.494 -7.575 -1.097 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -1.762 -10.465 1.303 1.00 0.00 H new ATOM 0 HE2 TYR A 33 2.259 -9.031 0.762 1.00 0.00 H new ATOM 0 HH TYR A 33 1.686 -10.520 2.311 1.00 0.00 H new ATOM 584 N LYS A 34 -2.490 -7.490 -5.417 1.00 0.00 N ATOM 585 CA LYS A 34 -2.879 -6.676 -6.557 1.00 0.00 C ATOM 586 C LYS A 34 -3.577 -5.400 -6.085 1.00 0.00 C ATOM 587 O LYS A 34 -4.623 -5.468 -5.442 1.00 0.00 O ATOM 588 CB LYS A 34 -3.808 -7.491 -7.459 1.00 0.00 C ATOM 589 CG LYS A 34 -3.053 -8.701 -8.027 1.00 0.00 C ATOM 590 CD LYS A 34 -3.925 -9.432 -9.058 1.00 0.00 C ATOM 591 CE LYS A 34 -5.130 -10.081 -8.366 1.00 0.00 C ATOM 592 NZ LYS A 34 -5.868 -10.956 -9.297 1.00 0.00 N ATOM 0 H LYS A 34 -2.984 -8.380 -5.353 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.990 -6.388 -7.119 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.677 -7.826 -6.893 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.179 -6.868 -8.273 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.124 -8.373 -8.493 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.783 -9.382 -7.220 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -4.267 -8.730 -9.819 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -3.336 -10.194 -9.569 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.792 -10.661 -7.507 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.795 -9.306 -7.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.678 -11.383 -8.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.210 -10.395 -10.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.237 -11.708 -9.641 1.00 0.00 H new ATOM 606 N PHE A 35 -2.994 -4.240 -6.415 1.00 0.00 N ATOM 607 CA PHE A 35 -3.564 -2.946 -6.056 1.00 0.00 C ATOM 608 C PHE A 35 -4.374 -2.401 -7.235 1.00 0.00 C ATOM 609 O PHE A 35 -4.451 -3.038 -8.284 1.00 0.00 O ATOM 610 CB PHE A 35 -2.436 -1.983 -5.675 1.00 0.00 C ATOM 611 CG PHE A 35 -1.719 -2.378 -4.402 1.00 0.00 C ATOM 612 CD1 PHE A 35 -2.330 -2.156 -3.155 1.00 0.00 C ATOM 613 CD2 PHE A 35 -0.444 -2.968 -4.462 1.00 0.00 C ATOM 614 CE1 PHE A 35 -1.669 -2.524 -1.973 1.00 0.00 C ATOM 615 CE2 PHE A 35 0.218 -3.334 -3.278 1.00 0.00 C ATOM 616 CZ PHE A 35 -0.395 -3.112 -2.034 1.00 0.00 C ATOM 0 H PHE A 35 -2.119 -4.178 -6.935 1.00 0.00 H new ATOM 0 HA PHE A 35 -4.231 -3.055 -5.201 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -1.715 -1.937 -6.491 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -2.847 -0.981 -5.557 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -3.309 -1.702 -3.107 1.00 0.00 H new ATOM 0 HD2 PHE A 35 0.027 -3.140 -5.419 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.140 -2.355 -1.016 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.198 -3.786 -3.324 1.00 0.00 H new ATOM 0 HZ PHE A 35 0.114 -3.394 -1.124 1.00 0.00 H new ATOM 626 N ASN A 36 -4.979 -1.220 -7.058 1.00 0.00 N ATOM 627 CA ASN A 36 -5.790 -0.599 -8.098 1.00 0.00 C ATOM 628 C ASN A 36 -4.898 -0.156 -9.261 1.00 0.00 C ATOM 629 O ASN A 36 -4.902 -0.779 -10.320 1.00 0.00 O ATOM 630 CB ASN A 36 -6.550 0.591 -7.498 1.00 0.00 C ATOM 631 CG ASN A 36 -7.275 1.381 -8.581 1.00 0.00 C ATOM 632 OD1 ASN A 36 -6.873 2.492 -8.917 1.00 0.00 O ATOM 633 ND2 ASN A 36 -8.344 0.806 -9.130 1.00 0.00 N ATOM 0 H ASN A 36 -4.918 -0.677 -6.197 1.00 0.00 H new ATOM 0 HA ASN A 36 -6.513 -1.317 -8.486 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -7.269 0.233 -6.761 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -5.853 1.244 -6.972 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -8.865 1.291 -9.861 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -8.642 -0.119 -8.819 1.00 0.00 H new ATOM 640 N ASN A 37 -4.134 0.920 -9.054 1.00 0.00 N ATOM 641 CA ASN A 37 -3.223 1.446 -10.063 1.00 0.00 C ATOM 642 C ASN A 37 -2.075 2.146 -9.344 1.00 0.00 C ATOM 643 O ASN A 37 -1.802 3.324 -9.574 1.00 0.00 O ATOM 644 CB ASN A 37 -3.983 2.401 -10.995 1.00 0.00 C ATOM 645 CG ASN A 37 -3.227 2.615 -12.305 1.00 0.00 C ATOM 646 OD1 ASN A 37 -3.592 2.049 -13.332 1.00 0.00 O ATOM 647 ND2 ASN A 37 -2.174 3.430 -12.271 1.00 0.00 N ATOM 0 H ASN A 37 -4.133 1.448 -8.181 1.00 0.00 H new ATOM 0 HA ASN A 37 -2.815 0.646 -10.681 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -4.973 1.996 -11.206 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -4.130 3.359 -10.496 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -1.636 3.604 -13.120 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -1.905 3.880 -11.396 1.00 0.00 H new ATOM 654 N ARG A 38 -1.419 1.403 -8.452 1.00 0.00 N ATOM 655 CA ARG A 38 -0.339 1.925 -7.633 1.00 0.00 C ATOM 656 C ARG A 38 0.996 1.390 -8.148 1.00 0.00 C ATOM 657 O ARG A 38 1.424 0.302 -7.772 1.00 0.00 O ATOM 658 CB ARG A 38 -0.610 1.512 -6.186 1.00 0.00 C ATOM 659 CG ARG A 38 -2.043 1.915 -5.819 1.00 0.00 C ATOM 660 CD ARG A 38 -2.277 1.728 -4.326 1.00 0.00 C ATOM 661 NE ARG A 38 -3.707 1.842 -4.007 1.00 0.00 N ATOM 662 CZ ARG A 38 -4.361 3.015 -3.931 1.00 0.00 C ATOM 663 NH1 ARG A 38 -3.718 4.165 -4.174 1.00 0.00 N ATOM 664 NH2 ARG A 38 -5.661 3.034 -3.614 1.00 0.00 N ATOM 0 H ARG A 38 -1.627 0.419 -8.281 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.287 3.013 -7.683 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.479 0.436 -6.069 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.101 1.995 -5.516 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -2.218 2.955 -6.094 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -2.754 1.312 -6.384 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -1.906 0.752 -4.014 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -1.714 2.476 -3.768 1.00 0.00 H new ATOM 0 HE ARG A 38 -4.232 0.985 -3.834 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -2.728 4.154 -4.418 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -4.219 5.052 -4.115 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -6.154 2.160 -3.431 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -6.159 3.922 -3.556 1.00 0.00 H new ATOM 678 N THR A 39 1.640 2.161 -9.029 1.00 0.00 N ATOM 679 CA THR A 39 2.877 1.747 -9.674 1.00 0.00 C ATOM 680 C THR A 39 4.093 2.016 -8.782 1.00 0.00 C ATOM 681 O THR A 39 4.810 2.986 -9.007 1.00 0.00 O ATOM 682 CB THR A 39 3.006 2.495 -11.007 1.00 0.00 C ATOM 683 OG1 THR A 39 2.904 3.885 -10.781 1.00 0.00 O ATOM 684 CG2 THR A 39 1.892 2.055 -11.961 1.00 0.00 C ATOM 0 H THR A 39 1.315 3.086 -9.311 1.00 0.00 H new ATOM 0 HA THR A 39 2.845 0.672 -9.852 1.00 0.00 H new ATOM 0 HB THR A 39 3.974 2.266 -11.452 1.00 0.00 H new ATOM 0 HG1 THR A 39 3.579 4.160 -10.126 1.00 0.00 H new ATOM 0 HG21 THR A 39 1.990 2.590 -12.906 1.00 0.00 H new ATOM 0 HG22 THR A 39 1.970 0.983 -12.141 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.922 2.278 -11.516 1.00 0.00 H new ATOM 692 N SER A 40 4.316 1.128 -7.791 1.00 0.00 N ATOM 693 CA SER A 40 5.475 1.166 -6.872 1.00 0.00 C ATOM 694 C SER A 40 5.578 2.491 -6.093 1.00 0.00 C ATOM 695 O SER A 40 5.335 2.507 -4.889 1.00 0.00 O ATOM 696 CB SER A 40 6.776 0.848 -7.639 1.00 0.00 C ATOM 697 OG SER A 40 7.134 1.907 -8.503 1.00 0.00 O ATOM 0 H SER A 40 3.684 0.350 -7.603 1.00 0.00 H new ATOM 0 HA SER A 40 5.319 0.393 -6.119 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.583 0.665 -6.930 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.646 -0.067 -8.216 1.00 0.00 H new ATOM 0 HG SER A 40 6.365 2.149 -9.060 1.00 0.00 H new ATOM 703 N VAL A 41 5.947 3.586 -6.768 1.00 0.00 N ATOM 704 CA VAL A 41 6.095 4.895 -6.137 1.00 0.00 C ATOM 705 C VAL A 41 4.871 5.208 -5.277 1.00 0.00 C ATOM 706 O VAL A 41 5.010 5.699 -4.159 1.00 0.00 O ATOM 707 CB VAL A 41 6.285 5.963 -7.226 1.00 0.00 C ATOM 708 CG1 VAL A 41 6.364 7.353 -6.583 1.00 0.00 C ATOM 709 CG2 VAL A 41 7.580 5.692 -7.999 1.00 0.00 C ATOM 0 H VAL A 41 6.151 3.585 -7.767 1.00 0.00 H new ATOM 0 HA VAL A 41 6.970 4.891 -5.487 1.00 0.00 H new ATOM 0 HB VAL A 41 5.437 5.925 -7.910 1.00 0.00 H new ATOM 0 HG11 VAL A 41 6.499 8.106 -7.360 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.442 7.555 -6.038 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.208 7.388 -5.894 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.710 6.452 -8.770 1.00 0.00 H new ATOM 0 HG22 VAL A 41 8.426 5.723 -7.313 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.526 4.708 -8.465 1.00 0.00 H new ATOM 719 N MET A 42 3.675 4.917 -5.801 1.00 0.00 N ATOM 720 CA MET A 42 2.434 5.156 -5.080 1.00 0.00 C ATOM 721 C MET A 42 2.457 4.414 -3.741 1.00 0.00 C ATOM 722 O MET A 42 2.129 4.989 -2.706 1.00 0.00 O ATOM 723 CB MET A 42 1.256 4.689 -5.939 1.00 0.00 C ATOM 724 CG MET A 42 1.026 5.670 -7.093 1.00 0.00 C ATOM 725 SD MET A 42 0.387 7.283 -6.573 1.00 0.00 S ATOM 726 CE MET A 42 0.254 8.075 -8.195 1.00 0.00 C ATOM 0 H MET A 42 3.547 4.513 -6.729 1.00 0.00 H new ATOM 0 HA MET A 42 2.324 6.221 -4.877 1.00 0.00 H new ATOM 0 HB2 MET A 42 1.455 3.692 -6.333 1.00 0.00 H new ATOM 0 HB3 MET A 42 0.356 4.616 -5.328 1.00 0.00 H new ATOM 0 HG2 MET A 42 1.967 5.817 -7.624 1.00 0.00 H new ATOM 0 HG3 MET A 42 0.327 5.225 -7.801 1.00 0.00 H new ATOM 0 HE1 MET A 42 -0.128 9.089 -8.075 1.00 0.00 H new ATOM 0 HE2 MET A 42 1.237 8.111 -8.664 1.00 0.00 H new ATOM 0 HE3 MET A 42 -0.428 7.503 -8.824 1.00 0.00 H new ATOM 736 N LEU A 43 2.848 3.134 -3.766 1.00 0.00 N ATOM 737 CA LEU A 43 2.911 2.321 -2.558 1.00 0.00 C ATOM 738 C LEU A 43 3.911 2.929 -1.577 1.00 0.00 C ATOM 739 O LEU A 43 3.616 3.056 -0.396 1.00 0.00 O ATOM 740 CB LEU A 43 3.328 0.882 -2.911 1.00 0.00 C ATOM 741 CG LEU A 43 2.400 0.281 -3.978 1.00 0.00 C ATOM 742 CD1 LEU A 43 2.886 -1.124 -4.334 1.00 0.00 C ATOM 743 CD2 LEU A 43 0.970 0.199 -3.445 1.00 0.00 C ATOM 0 H LEU A 43 3.125 2.643 -4.616 1.00 0.00 H new ATOM 0 HA LEU A 43 1.925 2.297 -2.094 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.356 0.877 -3.274 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.304 0.263 -2.014 1.00 0.00 H new ATOM 0 HG LEU A 43 2.415 0.917 -4.863 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.231 -1.555 -5.091 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.903 -1.070 -4.723 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.872 -1.751 -3.442 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.321 -0.228 -4.209 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.949 -0.432 -2.556 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.619 1.199 -3.189 1.00 0.00 H new ATOM 755 N LYS A 44 5.096 3.295 -2.078 1.00 0.00 N ATOM 756 CA LYS A 44 6.156 3.858 -1.253 1.00 0.00 C ATOM 757 C LYS A 44 5.683 5.134 -0.545 1.00 0.00 C ATOM 758 O LYS A 44 5.723 5.214 0.684 1.00 0.00 O ATOM 759 CB LYS A 44 7.364 4.160 -2.150 1.00 0.00 C ATOM 760 CG LYS A 44 8.576 4.553 -1.291 1.00 0.00 C ATOM 761 CD LYS A 44 9.388 5.654 -1.995 1.00 0.00 C ATOM 762 CE LYS A 44 9.835 5.198 -3.393 1.00 0.00 C ATOM 763 NZ LYS A 44 10.609 3.946 -3.330 1.00 0.00 N ATOM 0 H LYS A 44 5.341 3.207 -3.064 1.00 0.00 H new ATOM 0 HA LYS A 44 6.435 3.140 -0.482 1.00 0.00 H new ATOM 0 HB2 LYS A 44 7.605 3.286 -2.754 1.00 0.00 H new ATOM 0 HB3 LYS A 44 7.121 4.968 -2.841 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.241 4.905 -0.315 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.206 3.681 -1.116 1.00 0.00 H new ATOM 0 HD2 LYS A 44 8.785 6.558 -2.079 1.00 0.00 H new ATOM 0 HD3 LYS A 44 10.262 5.907 -1.394 1.00 0.00 H new ATOM 0 HE2 LYS A 44 8.960 5.055 -4.027 1.00 0.00 H new ATOM 0 HE3 LYS A 44 10.440 5.978 -3.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 11.037 3.756 -4.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 11.359 4.037 -2.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 9.978 3.160 -3.072 1.00 0.00 H new ATOM 777 N ASP A 45 5.259 6.134 -1.324 1.00 0.00 N ATOM 778 CA ASP A 45 4.853 7.427 -0.788 1.00 0.00 C ATOM 779 C ASP A 45 3.703 7.287 0.209 1.00 0.00 C ATOM 780 O ASP A 45 3.748 7.868 1.291 1.00 0.00 O ATOM 781 CB ASP A 45 4.443 8.342 -1.939 1.00 0.00 C ATOM 782 CG ASP A 45 3.966 9.687 -1.404 1.00 0.00 C ATOM 783 OD1 ASP A 45 4.814 10.397 -0.820 1.00 0.00 O ATOM 784 OD2 ASP A 45 2.764 9.977 -1.582 1.00 0.00 O ATOM 0 H ASP A 45 5.189 6.066 -2.339 1.00 0.00 H new ATOM 0 HA ASP A 45 5.699 7.859 -0.253 1.00 0.00 H new ATOM 0 HB2 ASP A 45 5.287 8.490 -2.613 1.00 0.00 H new ATOM 0 HB3 ASP A 45 3.649 7.872 -2.520 1.00 0.00 H new ATOM 789 N ARG A 46 2.667 6.532 -0.151 1.00 0.00 N ATOM 790 CA ARG A 46 1.512 6.378 0.714 1.00 0.00 C ATOM 791 C ARG A 46 1.883 5.576 1.961 1.00 0.00 C ATOM 792 O ARG A 46 1.436 5.913 3.056 1.00 0.00 O ATOM 793 CB ARG A 46 0.372 5.716 -0.063 1.00 0.00 C ATOM 794 CG ARG A 46 -0.084 6.625 -1.226 1.00 0.00 C ATOM 795 CD ARG A 46 -0.623 7.968 -0.705 1.00 0.00 C ATOM 796 NE ARG A 46 -1.612 7.775 0.373 1.00 0.00 N ATOM 797 CZ ARG A 46 -2.944 7.942 0.219 1.00 0.00 C ATOM 798 NH1 ARG A 46 -3.468 8.242 -0.981 1.00 0.00 N ATOM 799 NH2 ARG A 46 -3.753 7.807 1.278 1.00 0.00 N ATOM 0 H ARG A 46 2.609 6.022 -1.032 1.00 0.00 H new ATOM 0 HA ARG A 46 1.173 7.359 1.046 1.00 0.00 H new ATOM 0 HB2 ARG A 46 0.700 4.752 -0.453 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -0.467 5.521 0.605 1.00 0.00 H new ATOM 0 HG2 ARG A 46 0.753 6.804 -1.901 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -0.858 6.120 -1.804 1.00 0.00 H new ATOM 0 HD2 ARG A 46 0.204 8.574 -0.336 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -1.081 8.520 -1.526 1.00 0.00 H new ATOM 0 HE ARG A 46 -1.268 7.498 1.293 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -2.858 8.347 -1.792 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -4.476 8.365 -1.081 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -3.362 7.580 2.192 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -4.760 7.932 1.170 1.00 0.00 H new ATOM 813 N TRP A 47 2.701 4.525 1.811 1.00 0.00 N ATOM 814 CA TRP A 47 3.118 3.724 2.954 1.00 0.00 C ATOM 815 C TRP A 47 3.885 4.595 3.941 1.00 0.00 C ATOM 816 O TRP A 47 3.671 4.496 5.139 1.00 0.00 O ATOM 817 CB TRP A 47 3.986 2.551 2.511 1.00 0.00 C ATOM 818 CG TRP A 47 4.564 1.776 3.653 1.00 0.00 C ATOM 819 CD1 TRP A 47 5.872 1.630 3.918 1.00 0.00 C ATOM 820 CD2 TRP A 47 3.872 1.061 4.726 1.00 0.00 C ATOM 821 NE1 TRP A 47 6.064 0.887 5.056 1.00 0.00 N ATOM 822 CE2 TRP A 47 4.855 0.500 5.601 1.00 0.00 C ATOM 823 CE3 TRP A 47 2.515 0.831 5.060 1.00 0.00 C ATOM 824 CZ2 TRP A 47 4.516 -0.249 6.730 1.00 0.00 C ATOM 825 CZ3 TRP A 47 2.168 0.078 6.203 1.00 0.00 C ATOM 826 CH2 TRP A 47 3.167 -0.462 7.033 1.00 0.00 C ATOM 0 H TRP A 47 3.080 4.217 0.916 1.00 0.00 H new ATOM 0 HA TRP A 47 2.227 3.325 3.438 1.00 0.00 H new ATOM 0 HB2 TRP A 47 3.390 1.881 1.891 1.00 0.00 H new ATOM 0 HB3 TRP A 47 4.798 2.924 1.887 1.00 0.00 H new ATOM 0 HD1 TRP A 47 6.668 2.043 3.316 1.00 0.00 H new ATOM 0 HE1 TRP A 47 6.976 0.652 5.447 1.00 0.00 H new ATOM 0 HE3 TRP A 47 1.735 1.237 4.432 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 5.288 -0.660 7.363 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 1.127 -0.085 6.442 1.00 0.00 H new ATOM 0 HH2 TRP A 47 2.893 -1.040 7.903 1.00 0.00 H new ATOM 837 N ARG A 48 4.780 5.451 3.427 1.00 0.00 N ATOM 838 CA ARG A 48 5.566 6.353 4.260 1.00 0.00 C ATOM 839 C ARG A 48 4.638 7.115 5.214 1.00 0.00 C ATOM 840 O ARG A 48 4.905 7.193 6.413 1.00 0.00 O ATOM 841 CB ARG A 48 6.334 7.315 3.343 1.00 0.00 C ATOM 842 CG ARG A 48 7.064 8.388 4.167 1.00 0.00 C ATOM 843 CD ARG A 48 7.597 9.491 3.235 1.00 0.00 C ATOM 844 NE ARG A 48 6.554 9.988 2.316 1.00 0.00 N ATOM 845 CZ ARG A 48 5.432 10.612 2.727 1.00 0.00 C ATOM 846 NH1 ARG A 48 5.264 10.926 4.017 1.00 0.00 N ATOM 847 NH2 ARG A 48 4.479 10.918 1.841 1.00 0.00 N ATOM 0 H ARG A 48 4.974 5.532 2.429 1.00 0.00 H new ATOM 0 HA ARG A 48 6.279 5.794 4.866 1.00 0.00 H new ATOM 0 HB2 ARG A 48 7.054 6.757 2.745 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.643 7.792 2.648 1.00 0.00 H new ATOM 0 HG2 ARG A 48 6.385 8.818 4.903 1.00 0.00 H new ATOM 0 HG3 ARG A 48 7.888 7.937 4.719 1.00 0.00 H new ATOM 0 HD2 ARG A 48 7.978 10.319 3.833 1.00 0.00 H new ATOM 0 HD3 ARG A 48 8.436 9.103 2.657 1.00 0.00 H new ATOM 0 HE ARG A 48 6.690 9.852 1.314 1.00 0.00 H new ATOM 0 HH11 ARG A 48 5.988 10.693 4.697 1.00 0.00 H new ATOM 0 HH12 ARG A 48 4.412 11.398 4.320 1.00 0.00 H new ATOM 0 HH21 ARG A 48 4.602 10.679 0.857 1.00 0.00 H new ATOM 0 HH22 ARG A 48 3.629 11.390 2.149 1.00 0.00 H new ATOM 861 N THR A 49 3.549 7.673 4.677 1.00 0.00 N ATOM 862 CA THR A 49 2.587 8.415 5.479 1.00 0.00 C ATOM 863 C THR A 49 1.864 7.467 6.445 1.00 0.00 C ATOM 864 O THR A 49 1.702 7.786 7.620 1.00 0.00 O ATOM 865 CB THR A 49 1.589 9.111 4.544 1.00 0.00 C ATOM 866 OG1 THR A 49 2.296 9.893 3.601 1.00 0.00 O ATOM 867 CG2 THR A 49 0.660 10.018 5.355 1.00 0.00 C ATOM 0 H THR A 49 3.316 7.621 3.685 1.00 0.00 H new ATOM 0 HA THR A 49 3.103 9.169 6.073 1.00 0.00 H new ATOM 0 HB THR A 49 0.996 8.356 4.028 1.00 0.00 H new ATOM 0 HG1 THR A 49 1.660 10.337 3.002 1.00 0.00 H new ATOM 0 HG21 THR A 49 -0.046 10.509 4.685 1.00 0.00 H new ATOM 0 HG22 THR A 49 0.113 9.420 6.084 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.251 10.772 5.875 1.00 0.00 H new ATOM 875 N MET A 50 1.431 6.303 5.942 1.00 0.00 N ATOM 876 CA MET A 50 0.712 5.318 6.748 1.00 0.00 C ATOM 877 C MET A 50 1.607 4.767 7.866 1.00 0.00 C ATOM 878 O MET A 50 1.099 4.275 8.876 1.00 0.00 O ATOM 879 CB MET A 50 0.223 4.187 5.841 1.00 0.00 C ATOM 880 CG MET A 50 -0.917 4.691 4.953 1.00 0.00 C ATOM 881 SD MET A 50 -1.371 3.548 3.627 1.00 0.00 S ATOM 882 CE MET A 50 -2.679 4.525 2.849 1.00 0.00 C ATOM 0 H MET A 50 1.570 6.023 4.971 1.00 0.00 H new ATOM 0 HA MET A 50 -0.145 5.799 7.219 1.00 0.00 H new ATOM 0 HB2 MET A 50 1.044 3.823 5.223 1.00 0.00 H new ATOM 0 HB3 MET A 50 -0.118 3.346 6.445 1.00 0.00 H new ATOM 0 HG2 MET A 50 -1.793 4.878 5.574 1.00 0.00 H new ATOM 0 HG3 MET A 50 -0.628 5.646 4.514 1.00 0.00 H new ATOM 0 HE1 MET A 50 -3.182 3.923 2.092 1.00 0.00 H new ATOM 0 HE2 MET A 50 -3.401 4.834 3.605 1.00 0.00 H new ATOM 0 HE3 MET A 50 -2.244 5.408 2.380 1.00 0.00 H new ATOM 892 N LYS A 51 2.932 4.848 7.689 1.00 0.00 N ATOM 893 CA LYS A 51 3.877 4.389 8.694 1.00 0.00 C ATOM 894 C LYS A 51 3.775 5.295 9.916 1.00 0.00 C ATOM 895 O LYS A 51 3.660 4.813 11.041 1.00 0.00 O ATOM 896 CB LYS A 51 5.302 4.408 8.112 1.00 0.00 C ATOM 897 CG LYS A 51 5.872 2.985 8.062 1.00 0.00 C ATOM 898 CD LYS A 51 6.396 2.578 9.446 1.00 0.00 C ATOM 899 CE LYS A 51 7.821 3.111 9.647 1.00 0.00 C ATOM 900 NZ LYS A 51 8.809 2.274 8.939 1.00 0.00 N ATOM 0 H LYS A 51 3.368 5.231 6.850 1.00 0.00 H new ATOM 0 HA LYS A 51 3.645 3.366 8.991 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.288 4.837 7.110 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.944 5.044 8.722 1.00 0.00 H new ATOM 0 HG2 LYS A 51 5.100 2.287 7.737 1.00 0.00 H new ATOM 0 HG3 LYS A 51 6.678 2.933 7.330 1.00 0.00 H new ATOM 0 HD2 LYS A 51 5.739 2.971 10.222 1.00 0.00 H new ATOM 0 HD3 LYS A 51 6.388 1.492 9.542 1.00 0.00 H new ATOM 0 HE2 LYS A 51 7.883 4.137 9.284 1.00 0.00 H new ATOM 0 HE3 LYS A 51 8.056 3.135 10.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 9.452 2.883 8.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 9.357 1.723 9.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 8.315 1.625 8.293 1.00 0.00 H new ATOM 914 N LYS A 52 3.813 6.615 9.687 1.00 0.00 N ATOM 915 CA LYS A 52 3.703 7.590 10.759 1.00 0.00 C ATOM 916 C LYS A 52 2.224 7.870 11.034 1.00 0.00 C ATOM 917 O LYS A 52 1.751 8.990 10.837 1.00 0.00 O ATOM 918 CB LYS A 52 4.445 8.870 10.356 1.00 0.00 C ATOM 919 CG LYS A 52 4.636 9.768 11.589 1.00 0.00 C ATOM 920 CD LYS A 52 4.692 11.241 11.166 1.00 0.00 C ATOM 921 CE LYS A 52 3.272 11.770 10.928 1.00 0.00 C ATOM 922 NZ LYS A 52 3.280 13.224 10.688 1.00 0.00 N ATOM 0 H LYS A 52 3.920 7.025 8.759 1.00 0.00 H new ATOM 0 HA LYS A 52 4.156 7.204 11.672 1.00 0.00 H new ATOM 0 HB2 LYS A 52 5.413 8.619 9.923 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.882 9.403 9.590 1.00 0.00 H new ATOM 0 HG2 LYS A 52 3.816 9.614 12.291 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.555 9.496 12.108 1.00 0.00 H new ATOM 0 HD2 LYS A 52 5.185 11.832 11.938 1.00 0.00 H new ATOM 0 HD3 LYS A 52 5.285 11.345 10.258 1.00 0.00 H new ATOM 0 HE2 LYS A 52 2.829 11.260 10.073 1.00 0.00 H new ATOM 0 HE3 LYS A 52 2.647 11.544 11.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 2.307 13.555 10.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 3.681 13.710 11.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 3.858 13.434 9.849 1.00 0.00 H new ATOM 936 N LEU A 53 1.496 6.845 11.488 1.00 0.00 N ATOM 937 CA LEU A 53 0.080 6.980 11.795 1.00 0.00 C ATOM 938 C LEU A 53 -0.111 7.811 13.067 1.00 0.00 C ATOM 939 O LEU A 53 0.895 7.988 13.794 1.00 0.00 O ATOM 940 CB LEU A 53 -0.566 5.584 11.924 1.00 0.00 C ATOM 941 CG LEU A 53 -0.286 4.942 13.301 1.00 0.00 C ATOM 942 CD1 LEU A 53 -1.109 3.658 13.428 1.00 0.00 C ATOM 943 CD2 LEU A 53 1.201 4.599 13.447 1.00 0.00 C ATOM 944 OXT LEU A 53 -1.264 8.230 13.301 1.00 0.00 O ATOM 0 H LEU A 53 1.872 5.911 11.650 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.418 7.506 10.981 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.643 5.667 11.775 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.185 4.934 11.137 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.561 5.651 14.082 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.918 3.198 14.397 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.169 3.895 13.342 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.827 2.965 12.635 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.376 4.148 14.424 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.491 3.896 12.666 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.795 5.508 13.355 1.00 0.00 H new TER 956 LEU A 53