USER MOD reduce.3.24.130724 H: found=0, std=0, add=320, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 319 hydrogens (1 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 Single : A 1 ARG N :NH3+ -130:sc= -0.0741 (180deg=-0.849) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0299) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 THR OG1 : rot 78:sc= 1.24 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 1.995 -4.996 -8.515 1.00 33.03 N ATOM 2 CA ARG A 1 2.993 -4.191 -7.822 1.00 2.14 C ATOM 3 C ARG A 1 2.459 -3.699 -6.479 1.00 71.44 C ATOM 4 O ARG A 1 1.248 -3.589 -6.285 1.00 44.53 O ATOM 5 CB ARG A 1 3.407 -2.998 -8.686 1.00 30.24 C ATOM 6 CG ARG A 1 3.945 -3.393 -10.051 1.00 62.01 C ATOM 7 CD ARG A 1 3.294 -2.584 -11.162 1.00 2.42 C ATOM 8 NE ARG A 1 3.722 -3.027 -12.486 1.00 24.44 N ATOM 9 CZ ARG A 1 3.367 -2.423 -13.614 1.00 3.11 C ATOM 10 NH1 ARG A 1 2.583 -1.355 -13.579 1.00 13.30 N ATOM 11 NH2 ARG A 1 3.798 -2.886 -14.780 1.00 72.53 N ATOM 0 H1 ARG A 1 2.425 -5.890 -8.826 1.00 33.03 H new ATOM 0 H2 ARG A 1 1.204 -5.198 -7.871 1.00 33.03 H new ATOM 0 H3 ARG A 1 1.643 -4.475 -9.343 1.00 33.03 H new ATOM 0 HA ARG A 1 3.865 -4.819 -7.639 1.00 2.14 H new ATOM 0 HB2 ARG A 1 2.547 -2.341 -8.820 1.00 30.24 H new ATOM 0 HB3 ARG A 1 4.168 -2.424 -8.157 1.00 30.24 H new ATOM 0 HG2 ARG A 1 5.024 -3.243 -10.075 1.00 62.01 H new ATOM 0 HG3 ARG A 1 3.767 -4.455 -10.220 1.00 62.01 H new ATOM 0 HD2 ARG A 1 2.210 -2.669 -11.084 1.00 2.42 H new ATOM 0 HD3 ARG A 1 3.541 -1.530 -11.035 1.00 2.42 H new ATOM 0 HE ARG A 1 4.327 -3.846 -12.548 1.00 24.44 H new ATOM 0 HH11 ARG A 1 2.251 -0.995 -12.684 1.00 13.30 H new ATOM 0 HH12 ARG A 1 2.312 -0.893 -14.447 1.00 13.30 H new ATOM 0 HH21 ARG A 1 4.403 -3.707 -14.811 1.00 72.53 H new ATOM 0 HH22 ARG A 1 3.525 -2.421 -15.646 1.00 72.53 H new ATOM 25 N TRP A 2 3.369 -3.407 -5.558 1.00 22.23 N ATOM 26 CA TRP A 2 2.989 -2.928 -4.234 1.00 22.05 C ATOM 27 C TRP A 2 2.165 -3.974 -3.492 1.00 31.52 C ATOM 28 O TRP A 2 0.958 -4.092 -3.702 1.00 55.02 O ATOM 29 CB TRP A 2 2.197 -1.624 -4.348 1.00 64.41 C ATOM 30 CG TRP A 2 2.846 -0.612 -5.243 1.00 3.15 C ATOM 31 CD1 TRP A 2 2.538 -0.354 -6.548 1.00 22.41 C ATOM 32 CD2 TRP A 2 3.915 0.277 -4.898 1.00 32.54 C ATOM 33 NE1 TRP A 2 3.351 0.641 -7.035 1.00 72.32 N ATOM 34 CE2 TRP A 2 4.203 1.045 -6.042 1.00 44.22 C ATOM 35 CE3 TRP A 2 4.654 0.499 -3.733 1.00 2.10 C ATOM 36 CZ2 TRP A 2 5.200 2.017 -6.054 1.00 0.32 C ATOM 37 CZ3 TRP A 2 5.643 1.464 -3.746 1.00 43.02 C ATOM 38 CH2 TRP A 2 5.909 2.214 -4.900 1.00 15.03 C ATOM 0 H TRP A 2 4.375 -3.493 -5.703 1.00 22.23 H new ATOM 0 HA TRP A 2 3.901 -2.742 -3.667 1.00 22.05 H new ATOM 0 HB2 TRP A 2 1.199 -1.845 -4.725 1.00 64.41 H new ATOM 0 HB3 TRP A 2 2.074 -1.194 -3.354 1.00 64.41 H new ATOM 0 HD1 TRP A 2 1.769 -0.858 -7.114 1.00 22.41 H new ATOM 0 HE1 TRP A 2 3.324 1.018 -7.983 1.00 72.32 H new ATOM 0 HE3 TRP A 2 4.456 -0.073 -2.839 1.00 2.10 H new ATOM 0 HZ2 TRP A 2 5.407 2.595 -6.943 1.00 0.32 H new ATOM 0 HZ3 TRP A 2 6.221 1.643 -2.852 1.00 43.02 H new ATOM 0 HH2 TRP A 2 6.688 2.961 -4.878 1.00 15.03 H new ATOM 49 N LYS A 3 2.824 -4.733 -2.623 1.00 31.33 N ATOM 50 CA LYS A 3 2.152 -5.770 -1.848 1.00 0.32 C ATOM 51 C LYS A 3 0.975 -5.190 -1.069 1.00 64.20 C ATOM 52 O LYS A 3 -0.163 -5.633 -1.225 1.00 62.43 O ATOM 53 CB LYS A 3 3.138 -6.434 -0.884 1.00 35.21 C ATOM 54 CG LYS A 3 4.155 -7.327 -1.574 1.00 11.54 C ATOM 55 CD LYS A 3 3.860 -8.798 -1.333 1.00 43.41 C ATOM 56 CE LYS A 3 4.304 -9.654 -2.509 1.00 31.40 C ATOM 57 NZ LYS A 3 5.764 -9.942 -2.466 1.00 23.43 N ATOM 0 H LYS A 3 3.824 -4.650 -2.437 1.00 31.33 H new ATOM 0 HA LYS A 3 1.772 -6.519 -2.542 1.00 0.32 H new ATOM 0 HB2 LYS A 3 3.666 -5.660 -0.327 1.00 35.21 H new ATOM 0 HB3 LYS A 3 2.581 -7.026 -0.158 1.00 35.21 H new ATOM 0 HG2 LYS A 3 4.151 -7.125 -2.645 1.00 11.54 H new ATOM 0 HG3 LYS A 3 5.155 -7.091 -1.209 1.00 11.54 H new ATOM 0 HD2 LYS A 3 4.369 -9.129 -0.428 1.00 43.41 H new ATOM 0 HD3 LYS A 3 2.791 -8.933 -1.166 1.00 43.41 H new ATOM 0 HE2 LYS A 3 3.749 -10.592 -2.505 1.00 31.40 H new ATOM 0 HE3 LYS A 3 4.062 -9.144 -3.441 1.00 31.40 H new ATOM 0 HZ1 LYS A 3 6.027 -10.528 -3.284 1.00 23.43 H new ATOM 0 HZ2 LYS A 3 6.295 -9.048 -2.495 1.00 23.43 H new ATOM 0 HZ3 LYS A 3 5.992 -10.452 -1.588 1.00 23.43 H new ATOM 71 N ILE A 4 1.257 -4.197 -0.232 1.00 62.50 N ATOM 72 CA ILE A 4 0.221 -3.556 0.568 1.00 24.43 C ATOM 73 C ILE A 4 -0.879 -2.981 -0.316 1.00 53.32 C ATOM 74 O ILE A 4 -2.057 -3.296 -0.145 1.00 11.04 O ATOM 75 CB ILE A 4 0.802 -2.430 1.444 1.00 64.33 C ATOM 76 CG1 ILE A 4 1.975 -2.955 2.275 1.00 1.50 C ATOM 77 CG2 ILE A 4 -0.277 -1.851 2.346 1.00 5.13 C ATOM 78 CD1 ILE A 4 1.609 -4.116 3.171 1.00 34.55 C ATOM 0 H ILE A 4 2.194 -3.819 -0.090 1.00 62.50 H new ATOM 0 HA ILE A 4 -0.201 -4.326 1.214 1.00 24.43 H new ATOM 0 HB ILE A 4 1.169 -1.636 0.794 1.00 64.33 H new ATOM 0 HG12 ILE A 4 2.776 -3.264 1.603 1.00 1.50 H new ATOM 0 HG13 ILE A 4 2.368 -2.143 2.888 1.00 1.50 H new ATOM 0 HG21 ILE A 4 0.149 -1.057 2.959 1.00 5.13 H new ATOM 0 HG22 ILE A 4 -1.083 -1.445 1.735 1.00 5.13 H new ATOM 0 HG23 ILE A 4 -0.671 -2.636 2.992 1.00 5.13 H new ATOM 0 HD11 ILE A 4 2.489 -4.436 3.730 1.00 34.55 H new ATOM 0 HD12 ILE A 4 0.830 -3.807 3.867 1.00 34.55 H new ATOM 0 HD13 ILE A 4 1.245 -4.944 2.563 1.00 34.55 H new ATOM 90 N PHE A 5 -0.488 -2.136 -1.264 1.00 63.15 N ATOM 91 CA PHE A 5 -1.441 -1.516 -2.178 1.00 21.53 C ATOM 92 C PHE A 5 -2.329 -2.570 -2.833 1.00 54.43 C ATOM 93 O PHE A 5 -3.552 -2.544 -2.690 1.00 21.20 O ATOM 94 CB PHE A 5 -0.703 -0.715 -3.252 1.00 12.20 C ATOM 95 CG PHE A 5 -1.390 0.569 -3.619 1.00 52.43 C ATOM 96 CD1 PHE A 5 -2.734 0.580 -3.957 1.00 30.34 C ATOM 97 CD2 PHE A 5 -0.692 1.766 -3.628 1.00 0.22 C ATOM 98 CE1 PHE A 5 -3.369 1.760 -4.295 1.00 34.33 C ATOM 99 CE2 PHE A 5 -1.322 2.949 -3.965 1.00 11.24 C ATOM 100 CZ PHE A 5 -2.662 2.946 -4.300 1.00 31.13 C ATOM 0 H PHE A 5 0.483 -1.865 -1.420 1.00 63.15 H new ATOM 0 HA PHE A 5 -2.073 -0.840 -1.602 1.00 21.53 H new ATOM 0 HB2 PHE A 5 0.304 -0.491 -2.900 1.00 12.20 H new ATOM 0 HB3 PHE A 5 -0.599 -1.330 -4.146 1.00 12.20 H new ATOM 0 HD1 PHE A 5 -3.292 -0.345 -3.956 1.00 30.34 H new ATOM 0 HD2 PHE A 5 0.356 1.775 -3.369 1.00 0.22 H new ATOM 0 HE1 PHE A 5 -4.417 1.754 -4.555 1.00 34.33 H new ATOM 0 HE2 PHE A 5 -0.767 3.875 -3.966 1.00 11.24 H new ATOM 0 HZ PHE A 5 -3.156 3.869 -4.565 1.00 31.13 H new ATOM 110 N LYS A 6 -1.706 -3.495 -3.554 1.00 62.23 N ATOM 111 CA LYS A 6 -2.437 -4.559 -4.233 1.00 12.34 C ATOM 112 C LYS A 6 -3.321 -5.322 -3.252 1.00 35.02 C ATOM 113 O LYS A 6 -4.503 -5.551 -3.513 1.00 2.41 O ATOM 114 CB LYS A 6 -1.462 -5.522 -4.913 1.00 75.24 C ATOM 115 CG LYS A 6 -2.146 -6.578 -5.765 1.00 41.33 C ATOM 116 CD LYS A 6 -2.203 -6.164 -7.226 1.00 64.24 C ATOM 117 CE LYS A 6 -3.368 -6.823 -7.947 1.00 74.34 C ATOM 118 NZ LYS A 6 -4.423 -5.838 -8.312 1.00 54.25 N ATOM 0 H LYS A 6 -0.695 -3.530 -3.684 1.00 62.23 H new ATOM 0 HA LYS A 6 -3.074 -4.103 -4.990 1.00 12.34 H new ATOM 0 HB2 LYS A 6 -0.776 -4.950 -5.539 1.00 75.24 H new ATOM 0 HB3 LYS A 6 -0.861 -6.016 -4.150 1.00 75.24 H new ATOM 0 HG2 LYS A 6 -1.611 -7.523 -5.674 1.00 41.33 H new ATOM 0 HG3 LYS A 6 -3.157 -6.747 -5.394 1.00 41.33 H new ATOM 0 HD2 LYS A 6 -2.297 -5.080 -7.295 1.00 64.24 H new ATOM 0 HD3 LYS A 6 -1.269 -6.434 -7.719 1.00 64.24 H new ATOM 0 HE2 LYS A 6 -3.005 -7.317 -8.848 1.00 74.34 H new ATOM 0 HE3 LYS A 6 -3.798 -7.597 -7.311 1.00 74.34 H new ATOM 0 HZ1 LYS A 6 -5.200 -6.327 -8.802 1.00 54.25 H new ATOM 0 HZ2 LYS A 6 -4.788 -5.385 -7.450 1.00 54.25 H new ATOM 0 HZ3 LYS A 6 -4.019 -5.114 -8.940 1.00 54.25 H new ATOM 132 N LYS A 7 -2.743 -5.713 -2.122 1.00 22.25 N ATOM 133 CA LYS A 7 -3.478 -6.448 -1.099 1.00 72.45 C ATOM 134 C LYS A 7 -4.716 -5.675 -0.657 1.00 52.34 C ATOM 135 O LYS A 7 -5.845 -6.111 -0.883 1.00 34.11 O ATOM 136 CB LYS A 7 -2.578 -6.724 0.107 1.00 10.31 C ATOM 137 CG LYS A 7 -3.232 -7.591 1.168 1.00 21.35 C ATOM 138 CD LYS A 7 -2.271 -7.903 2.304 1.00 70.25 C ATOM 139 CE LYS A 7 -2.484 -9.309 2.844 1.00 13.21 C ATOM 140 NZ LYS A 7 -3.500 -9.336 3.933 1.00 71.23 N ATOM 0 H LYS A 7 -1.766 -5.533 -1.891 1.00 22.25 H new ATOM 0 HA LYS A 7 -3.798 -7.397 -1.529 1.00 72.45 H new ATOM 0 HB2 LYS A 7 -1.665 -7.211 -0.236 1.00 10.31 H new ATOM 0 HB3 LYS A 7 -2.285 -5.775 0.556 1.00 10.31 H new ATOM 0 HG2 LYS A 7 -4.111 -7.082 1.563 1.00 21.35 H new ATOM 0 HG3 LYS A 7 -3.578 -8.521 0.717 1.00 21.35 H new ATOM 0 HD2 LYS A 7 -1.244 -7.799 1.953 1.00 70.25 H new ATOM 0 HD3 LYS A 7 -2.408 -7.179 3.107 1.00 70.25 H new ATOM 0 HE2 LYS A 7 -2.802 -9.965 2.034 1.00 13.21 H new ATOM 0 HE3 LYS A 7 -1.539 -9.701 3.219 1.00 13.21 H new ATOM 0 HZ1 LYS A 7 -3.617 -10.311 4.275 1.00 71.23 H new ATOM 0 HZ2 LYS A 7 -3.185 -8.730 4.717 1.00 71.23 H new ATOM 0 HZ3 LYS A 7 -4.409 -8.986 3.569 1.00 71.23 H new ATOM 154 N ILE A 8 -4.497 -4.525 -0.029 1.00 45.20 N ATOM 155 CA ILE A 8 -5.595 -3.690 0.442 1.00 62.05 C ATOM 156 C ILE A 8 -6.602 -3.426 -0.673 1.00 64.40 C ATOM 157 O ILE A 8 -7.811 -3.511 -0.462 1.00 41.35 O ATOM 158 CB ILE A 8 -5.085 -2.343 0.986 1.00 4.23 C ATOM 159 CG1 ILE A 8 -4.099 -2.572 2.134 1.00 34.33 C ATOM 160 CG2 ILE A 8 -6.251 -1.482 1.447 1.00 52.45 C ATOM 161 CD1 ILE A 8 -4.724 -3.233 3.343 1.00 24.23 C ATOM 0 H ILE A 8 -3.569 -4.150 0.166 1.00 45.20 H new ATOM 0 HA ILE A 8 -6.083 -4.237 1.249 1.00 62.05 H new ATOM 0 HB ILE A 8 -4.565 -1.818 0.184 1.00 4.23 H new ATOM 0 HG12 ILE A 8 -3.275 -3.190 1.777 1.00 34.33 H new ATOM 0 HG13 ILE A 8 -3.673 -1.614 2.433 1.00 34.33 H new ATOM 0 HG21 ILE A 8 -5.874 -0.533 1.829 1.00 52.45 H new ATOM 0 HG22 ILE A 8 -6.920 -1.295 0.607 1.00 52.45 H new ATOM 0 HG23 ILE A 8 -6.796 -2.000 2.236 1.00 52.45 H new ATOM 0 HD11 ILE A 8 -3.968 -3.365 4.117 1.00 24.23 H new ATOM 0 HD12 ILE A 8 -5.529 -2.606 3.725 1.00 24.23 H new ATOM 0 HD13 ILE A 8 -5.125 -4.206 3.059 1.00 24.23 H new ATOM 173 N GLU A 9 -6.093 -3.109 -1.860 1.00 10.45 N ATOM 174 CA GLU A 9 -6.949 -2.834 -3.008 1.00 3.22 C ATOM 175 C GLU A 9 -7.822 -4.041 -3.337 1.00 21.21 C ATOM 176 O GLU A 9 -9.023 -3.908 -3.573 1.00 0.14 O ATOM 177 CB GLU A 9 -6.101 -2.457 -4.225 1.00 13.43 C ATOM 178 CG GLU A 9 -6.923 -2.054 -5.437 1.00 53.45 C ATOM 179 CD GLU A 9 -6.989 -3.146 -6.487 1.00 34.44 C ATOM 180 OE1 GLU A 9 -6.103 -3.178 -7.366 1.00 53.12 O ATOM 181 OE2 GLU A 9 -7.927 -3.970 -6.429 1.00 4.54 O ATOM 0 H GLU A 9 -5.094 -3.036 -2.051 1.00 10.45 H new ATOM 0 HA GLU A 9 -7.598 -1.997 -2.753 1.00 3.22 H new ATOM 0 HB2 GLU A 9 -5.439 -1.634 -3.955 1.00 13.43 H new ATOM 0 HB3 GLU A 9 -5.467 -3.302 -4.491 1.00 13.43 H new ATOM 0 HG2 GLU A 9 -7.934 -1.801 -5.118 1.00 53.45 H new ATOM 0 HG3 GLU A 9 -6.494 -1.155 -5.880 1.00 53.45 H new ATOM 188 N LYS A 10 -7.210 -5.220 -3.352 1.00 25.32 N ATOM 189 CA LYS A 10 -7.929 -6.453 -3.651 1.00 43.20 C ATOM 190 C LYS A 10 -8.920 -6.788 -2.541 1.00 3.21 C ATOM 191 O LYS A 10 -10.027 -7.257 -2.804 1.00 61.12 O ATOM 192 CB LYS A 10 -6.944 -7.610 -3.837 1.00 13.24 C ATOM 193 CG LYS A 10 -6.319 -7.660 -5.220 1.00 22.32 C ATOM 194 CD LYS A 10 -6.807 -8.863 -6.009 1.00 31.50 C ATOM 195 CE LYS A 10 -6.010 -10.113 -5.670 1.00 25.41 C ATOM 196 NZ LYS A 10 -6.833 -11.116 -4.939 1.00 13.43 N ATOM 0 H LYS A 10 -6.216 -5.348 -3.160 1.00 25.32 H new ATOM 0 HA LYS A 10 -8.485 -6.305 -4.577 1.00 43.20 H new ATOM 0 HB2 LYS A 10 -6.152 -7.525 -3.093 1.00 13.24 H new ATOM 0 HB3 LYS A 10 -7.461 -8.551 -3.647 1.00 13.24 H new ATOM 0 HG2 LYS A 10 -6.560 -6.746 -5.762 1.00 22.32 H new ATOM 0 HG3 LYS A 10 -5.234 -7.700 -5.129 1.00 22.32 H new ATOM 0 HD2 LYS A 10 -7.862 -9.035 -5.797 1.00 31.50 H new ATOM 0 HD3 LYS A 10 -6.726 -8.657 -7.076 1.00 31.50 H new ATOM 0 HE2 LYS A 10 -5.626 -10.558 -6.588 1.00 25.41 H new ATOM 0 HE3 LYS A 10 -5.147 -9.840 -5.063 1.00 25.41 H new ATOM 0 HZ1 LYS A 10 -6.253 -11.953 -4.727 1.00 13.43 H new ATOM 0 HZ2 LYS A 10 -7.179 -10.700 -4.051 1.00 13.43 H new ATOM 0 HZ3 LYS A 10 -7.643 -11.397 -5.528 1.00 13.43 H new ATOM 210 N VAL A 11 -8.515 -6.542 -1.299 1.00 31.33 N ATOM 211 CA VAL A 11 -9.369 -6.815 -0.149 1.00 23.44 C ATOM 212 C VAL A 11 -10.679 -6.042 -0.241 1.00 12.01 C ATOM 213 O VAL A 11 -11.713 -6.490 0.254 1.00 3.20 O ATOM 214 CB VAL A 11 -8.664 -6.454 1.172 1.00 4.41 C ATOM 215 CG1 VAL A 11 -9.583 -6.711 2.356 1.00 21.23 C ATOM 216 CG2 VAL A 11 -7.366 -7.235 1.314 1.00 0.42 C ATOM 0 H VAL A 11 -7.601 -6.154 -1.064 1.00 31.33 H new ATOM 0 HA VAL A 11 -9.580 -7.884 -0.159 1.00 23.44 H new ATOM 0 HB VAL A 11 -8.422 -5.391 1.155 1.00 4.41 H new ATOM 0 HG11 VAL A 11 -9.067 -6.450 3.280 1.00 21.23 H new ATOM 0 HG12 VAL A 11 -10.482 -6.102 2.258 1.00 21.23 H new ATOM 0 HG13 VAL A 11 -9.859 -7.765 2.380 1.00 21.23 H new ATOM 0 HG21 VAL A 11 -6.881 -6.967 2.253 1.00 0.42 H new ATOM 0 HG22 VAL A 11 -7.582 -8.303 1.309 1.00 0.42 H new ATOM 0 HG23 VAL A 11 -6.704 -6.994 0.482 1.00 0.42 H new ATOM 226 N GLY A 12 -10.629 -4.877 -0.879 1.00 42.33 N ATOM 227 CA GLY A 12 -11.819 -4.059 -1.026 1.00 3.15 C ATOM 228 C GLY A 12 -12.730 -4.554 -2.131 1.00 40.22 C ATOM 229 O GLY A 12 -13.953 -4.464 -2.024 1.00 11.44 O ATOM 0 H GLY A 12 -9.785 -4.485 -1.297 1.00 42.33 H new ATOM 0 HA2 GLY A 12 -12.368 -4.049 -0.084 1.00 3.15 H new ATOM 0 HA3 GLY A 12 -11.525 -3.030 -1.235 1.00 3.15 H new ATOM 233 N ARG A 13 -12.134 -5.077 -3.198 1.00 2.53 N ATOM 234 CA ARG A 13 -12.900 -5.585 -4.329 1.00 51.31 C ATOM 235 C ARG A 13 -13.440 -6.982 -4.037 1.00 4.23 C ATOM 236 O ARG A 13 -14.528 -7.343 -4.483 1.00 25.53 O ATOM 237 CB ARG A 13 -12.032 -5.615 -5.588 1.00 41.22 C ATOM 238 CG ARG A 13 -12.782 -6.056 -6.835 1.00 25.45 C ATOM 239 CD ARG A 13 -13.834 -5.038 -7.242 1.00 14.53 C ATOM 240 NE ARG A 13 -13.250 -3.730 -7.525 1.00 3.53 N ATOM 241 CZ ARG A 13 -13.969 -2.641 -7.772 1.00 54.21 C ATOM 242 NH1 ARG A 13 -15.294 -2.703 -7.771 1.00 22.11 N ATOM 243 NH2 ARG A 13 -13.364 -1.486 -8.021 1.00 33.41 N ATOM 0 H ARG A 13 -11.123 -5.160 -3.302 1.00 2.53 H new ATOM 0 HA ARG A 13 -13.744 -4.915 -4.494 1.00 51.31 H new ATOM 0 HB2 ARG A 13 -11.617 -4.621 -5.756 1.00 41.22 H new ATOM 0 HB3 ARG A 13 -11.191 -6.288 -5.423 1.00 41.22 H new ATOM 0 HG2 ARG A 13 -12.077 -6.199 -7.654 1.00 25.45 H new ATOM 0 HG3 ARG A 13 -13.258 -7.020 -6.653 1.00 25.45 H new ATOM 0 HD2 ARG A 13 -14.363 -5.397 -8.125 1.00 14.53 H new ATOM 0 HD3 ARG A 13 -14.572 -4.941 -6.445 1.00 14.53 H new ATOM 0 HE ARG A 13 -12.233 -3.648 -7.533 1.00 3.53 H new ATOM 0 HH11 ARG A 13 -15.763 -3.588 -7.580 1.00 22.11 H new ATOM 0 HH12 ARG A 13 -15.844 -1.865 -7.961 1.00 22.11 H new ATOM 0 HH21 ARG A 13 -12.345 -1.434 -8.023 1.00 33.41 H new ATOM 0 HH22 ARG A 13 -13.918 -0.651 -8.211 1.00 33.41 H new ATOM 257 N ASN A 14 -12.670 -7.762 -3.285 1.00 31.31 N ATOM 258 CA ASN A 14 -13.070 -9.120 -2.934 1.00 32.11 C ATOM 259 C ASN A 14 -14.432 -9.125 -2.246 1.00 70.32 C ATOM 260 O ASN A 14 -15.387 -9.724 -2.741 1.00 53.21 O ATOM 261 CB ASN A 14 -12.023 -9.763 -2.022 1.00 13.21 C ATOM 262 CG ASN A 14 -12.394 -11.179 -1.624 1.00 42.44 C ATOM 263 OD1 ASN A 14 -12.218 -12.119 -2.399 1.00 63.01 O ATOM 264 ND2 ASN A 14 -12.911 -11.336 -0.411 1.00 64.33 N ATOM 0 H ASN A 14 -11.766 -7.477 -2.907 1.00 31.31 H new ATOM 0 HA ASN A 14 -13.145 -9.699 -3.854 1.00 32.11 H new ATOM 0 HB2 ASN A 14 -11.059 -9.772 -2.530 1.00 13.21 H new ATOM 0 HB3 ASN A 14 -11.904 -9.156 -1.125 1.00 13.21 H new ATOM 0 HD21 ASN A 14 -13.180 -12.265 -0.088 1.00 64.33 H new ATOM 0 HD22 ASN A 14 -13.039 -10.527 0.198 1.00 64.33 H new ATOM 271 N VAL A 15 -14.514 -8.454 -1.102 1.00 3.31 N ATOM 272 CA VAL A 15 -15.758 -8.379 -0.346 1.00 54.04 C ATOM 273 C VAL A 15 -16.913 -7.928 -1.233 1.00 54.34 C ATOM 274 O VAL A 15 -17.917 -8.628 -1.367 1.00 13.34 O ATOM 275 CB VAL A 15 -15.634 -7.413 0.847 1.00 42.35 C ATOM 276 CG1 VAL A 15 -16.897 -7.445 1.694 1.00 45.30 C ATOM 277 CG2 VAL A 15 -14.411 -7.756 1.684 1.00 40.31 C ATOM 0 H VAL A 15 -13.733 -7.954 -0.678 1.00 3.31 H new ATOM 0 HA VAL A 15 -15.961 -9.382 0.029 1.00 54.04 H new ATOM 0 HB VAL A 15 -15.510 -6.401 0.462 1.00 42.35 H new ATOM 0 HG11 VAL A 15 -16.791 -6.756 2.532 1.00 45.30 H new ATOM 0 HG12 VAL A 15 -17.751 -7.147 1.085 1.00 45.30 H new ATOM 0 HG13 VAL A 15 -17.056 -8.455 2.072 1.00 45.30 H new ATOM 0 HG21 VAL A 15 -14.338 -7.064 2.523 1.00 40.31 H new ATOM 0 HG22 VAL A 15 -14.502 -8.775 2.061 1.00 40.31 H new ATOM 0 HG23 VAL A 15 -13.515 -7.676 1.069 1.00 40.31 H new ATOM 287 N ARG A 16 -16.764 -6.754 -1.839 1.00 22.04 N ATOM 288 CA ARG A 16 -17.795 -6.208 -2.713 1.00 20.40 C ATOM 289 C ARG A 16 -18.207 -7.229 -3.770 1.00 43.44 C ATOM 290 O ARG A 16 -19.375 -7.605 -3.862 1.00 73.22 O ATOM 291 CB ARG A 16 -17.296 -4.930 -3.389 1.00 72.12 C ATOM 292 CG ARG A 16 -16.997 -3.803 -2.415 1.00 12.52 C ATOM 293 CD ARG A 16 -18.160 -2.827 -2.318 1.00 45.32 C ATOM 294 NE ARG A 16 -17.847 -1.686 -1.462 1.00 2.03 N ATOM 295 CZ ARG A 16 -18.658 -0.647 -1.296 1.00 31.43 C ATOM 296 NH1 ARG A 16 -19.825 -0.606 -1.924 1.00 61.30 N ATOM 297 NH2 ARG A 16 -18.303 0.353 -0.499 1.00 70.23 N ATOM 0 H ARG A 16 -15.939 -6.163 -1.740 1.00 22.04 H new ATOM 0 HA ARG A 16 -18.666 -5.971 -2.103 1.00 20.40 H new ATOM 0 HB2 ARG A 16 -16.393 -5.158 -3.956 1.00 72.12 H new ATOM 0 HB3 ARG A 16 -18.045 -4.591 -4.105 1.00 72.12 H new ATOM 0 HG2 ARG A 16 -16.786 -4.219 -1.430 1.00 12.52 H new ATOM 0 HG3 ARG A 16 -16.101 -3.272 -2.735 1.00 12.52 H new ATOM 0 HD2 ARG A 16 -18.419 -2.472 -3.315 1.00 45.32 H new ATOM 0 HD3 ARG A 16 -19.036 -3.344 -1.926 1.00 45.32 H new ATOM 0 HE ARG A 16 -16.957 -1.687 -0.964 1.00 2.03 H new ATOM 0 HH11 ARG A 16 -20.102 -1.373 -2.536 1.00 61.30 H new ATOM 0 HH12 ARG A 16 -20.446 0.193 -1.795 1.00 61.30 H new ATOM 0 HH21 ARG A 16 -17.407 0.324 -0.013 1.00 70.23 H new ATOM 0 HH22 ARG A 16 -18.927 1.150 -0.372 1.00 70.23 H new ATOM 311 N ASP A 17 -17.240 -7.671 -4.566 1.00 44.14 N ATOM 312 CA ASP A 17 -17.501 -8.648 -5.617 1.00 41.32 C ATOM 313 C ASP A 17 -18.225 -9.868 -5.057 1.00 1.01 C ATOM 314 O ASP A 17 -19.150 -10.392 -5.676 1.00 10.11 O ATOM 315 CB ASP A 17 -16.192 -9.076 -6.282 1.00 23.44 C ATOM 316 CG ASP A 17 -15.670 -8.039 -7.256 1.00 50.21 C ATOM 317 OD1 ASP A 17 -16.206 -6.911 -7.266 1.00 14.22 O ATOM 318 OD2 ASP A 17 -14.725 -8.354 -8.008 1.00 62.34 O ATOM 0 H ASP A 17 -16.268 -7.368 -4.504 1.00 44.14 H new ATOM 0 HA ASP A 17 -18.142 -8.179 -6.364 1.00 41.32 H new ATOM 0 HB2 ASP A 17 -15.441 -9.259 -5.514 1.00 23.44 H new ATOM 0 HB3 ASP A 17 -16.346 -10.018 -6.808 1.00 23.44 H new ATOM 323 N GLY A 18 -17.796 -10.316 -3.881 1.00 21.31 N ATOM 324 CA GLY A 18 -18.413 -11.472 -3.258 1.00 34.34 C ATOM 325 C GLY A 18 -19.847 -11.210 -2.841 1.00 2.43 C ATOM 326 O GLY A 18 -20.723 -12.050 -3.044 1.00 73.23 O ATOM 0 H GLY A 18 -17.032 -9.899 -3.349 1.00 21.31 H new ATOM 0 HA2 GLY A 18 -18.388 -12.312 -3.952 1.00 34.34 H new ATOM 0 HA3 GLY A 18 -17.831 -11.763 -2.384 1.00 34.34 H new ATOM 330 N ILE A 19 -20.086 -10.042 -2.254 1.00 51.53 N ATOM 331 CA ILE A 19 -21.423 -9.672 -1.807 1.00 52.52 C ATOM 332 C ILE A 19 -22.350 -9.423 -2.992 1.00 71.34 C ATOM 333 O ILE A 19 -23.539 -9.741 -2.941 1.00 3.43 O ATOM 334 CB ILE A 19 -21.392 -8.412 -0.922 1.00 12.05 C ATOM 335 CG1 ILE A 19 -20.509 -8.646 0.306 1.00 70.53 C ATOM 336 CG2 ILE A 19 -22.802 -8.026 -0.500 1.00 52.02 C ATOM 337 CD1 ILE A 19 -20.005 -7.369 0.940 1.00 21.33 C ATOM 0 H ILE A 19 -19.371 -9.336 -2.077 1.00 51.53 H new ATOM 0 HA ILE A 19 -21.802 -10.509 -1.221 1.00 52.52 H new ATOM 0 HB ILE A 19 -20.969 -7.591 -1.500 1.00 12.05 H new ATOM 0 HG12 ILE A 19 -21.074 -9.212 1.047 1.00 70.53 H new ATOM 0 HG13 ILE A 19 -19.656 -9.260 0.018 1.00 70.53 H new ATOM 0 HG21 ILE A 19 -22.763 -7.134 0.125 1.00 52.02 H new ATOM 0 HG22 ILE A 19 -23.404 -7.823 -1.386 1.00 52.02 H new ATOM 0 HG23 ILE A 19 -23.250 -8.844 0.063 1.00 52.02 H new ATOM 0 HD11 ILE A 19 -19.386 -7.611 1.804 1.00 21.33 H new ATOM 0 HD12 ILE A 19 -19.413 -6.812 0.214 1.00 21.33 H new ATOM 0 HD13 ILE A 19 -20.852 -6.762 1.259 1.00 21.33 H new ATOM 349 N ILE A 20 -21.798 -8.856 -4.059 1.00 41.15 N ATOM 350 CA ILE A 20 -22.575 -8.568 -5.259 1.00 4.01 C ATOM 351 C ILE A 20 -22.847 -9.839 -6.055 1.00 75.44 C ATOM 352 O ILE A 20 -23.970 -10.077 -6.501 1.00 71.24 O ATOM 353 CB ILE A 20 -21.855 -7.552 -6.165 1.00 64.35 C ATOM 354 CG1 ILE A 20 -21.604 -6.247 -5.407 1.00 64.23 C ATOM 355 CG2 ILE A 20 -22.671 -7.292 -7.422 1.00 72.35 C ATOM 356 CD1 ILE A 20 -20.520 -5.390 -6.023 1.00 11.43 C ATOM 0 H ILE A 20 -20.816 -8.587 -4.118 1.00 41.15 H new ATOM 0 HA ILE A 20 -23.521 -8.140 -4.928 1.00 4.01 H new ATOM 0 HB ILE A 20 -20.892 -7.969 -6.460 1.00 64.35 H new ATOM 0 HG12 ILE A 20 -22.531 -5.674 -5.368 1.00 64.23 H new ATOM 0 HG13 ILE A 20 -21.331 -6.481 -4.378 1.00 64.23 H new ATOM 0 HG21 ILE A 20 -22.149 -6.572 -8.052 1.00 72.35 H new ATOM 0 HG22 ILE A 20 -22.803 -8.225 -7.970 1.00 72.35 H new ATOM 0 HG23 ILE A 20 -23.647 -6.892 -7.146 1.00 72.35 H new ATOM 0 HD11 ILE A 20 -20.396 -4.481 -5.434 1.00 11.43 H new ATOM 0 HD12 ILE A 20 -19.582 -5.945 -6.037 1.00 11.43 H new ATOM 0 HD13 ILE A 20 -20.800 -5.126 -7.043 1.00 11.43 H new ATOM 368 N LYS A 21 -21.813 -10.655 -6.229 1.00 74.43 N ATOM 369 CA LYS A 21 -21.940 -11.905 -6.969 1.00 74.32 C ATOM 370 C LYS A 21 -22.883 -12.868 -6.254 1.00 2.25 C ATOM 371 O LYS A 21 -23.503 -13.726 -6.881 1.00 41.31 O ATOM 372 CB LYS A 21 -20.568 -12.558 -7.148 1.00 43.44 C ATOM 373 CG LYS A 21 -20.539 -13.628 -8.226 1.00 43.51 C ATOM 374 CD LYS A 21 -19.149 -14.221 -8.386 1.00 1.42 C ATOM 375 CE LYS A 21 -19.172 -15.470 -9.253 1.00 53.11 C ATOM 376 NZ LYS A 21 -19.673 -15.183 -10.626 1.00 12.12 N ATOM 0 H LYS A 21 -20.877 -10.473 -5.867 1.00 74.43 H new ATOM 0 HA LYS A 21 -22.357 -11.676 -7.949 1.00 74.32 H new ATOM 0 HB2 LYS A 21 -19.837 -11.787 -7.393 1.00 43.44 H new ATOM 0 HB3 LYS A 21 -20.259 -13.000 -6.201 1.00 43.44 H new ATOM 0 HG2 LYS A 21 -21.246 -14.419 -7.974 1.00 43.51 H new ATOM 0 HG3 LYS A 21 -20.864 -13.200 -9.174 1.00 43.51 H new ATOM 0 HD2 LYS A 21 -18.485 -13.480 -8.831 1.00 1.42 H new ATOM 0 HD3 LYS A 21 -18.741 -14.465 -7.405 1.00 1.42 H new ATOM 0 HE2 LYS A 21 -18.168 -15.889 -9.313 1.00 53.11 H new ATOM 0 HE3 LYS A 21 -19.805 -16.225 -8.786 1.00 53.11 H new ATOM 0 HZ1 LYS A 21 -19.547 -16.024 -11.224 1.00 12.12 H new ATOM 0 HZ2 LYS A 21 -20.683 -14.937 -10.583 1.00 12.12 H new ATOM 0 HZ3 LYS A 21 -19.140 -14.387 -11.031 1.00 12.12 H new ATOM 390 N ALA A 22 -22.986 -12.718 -4.937 1.00 72.30 N ATOM 391 CA ALA A 22 -23.856 -13.572 -4.137 1.00 63.02 C ATOM 392 C ALA A 22 -25.271 -13.598 -4.704 1.00 33.25 C ATOM 393 O ALA A 22 -25.742 -14.631 -5.177 1.00 61.51 O ATOM 394 CB ALA A 22 -23.873 -13.101 -2.691 1.00 5.34 C ATOM 0 H ALA A 22 -22.478 -12.014 -4.402 1.00 72.30 H new ATOM 0 HA ALA A 22 -23.460 -14.587 -4.172 1.00 63.02 H new ATOM 0 HB1 ALA A 22 -24.526 -13.748 -2.105 1.00 5.34 H new ATOM 0 HB2 ALA A 22 -22.863 -13.141 -2.283 1.00 5.34 H new ATOM 0 HB3 ALA A 22 -24.242 -12.076 -2.646 1.00 5.34 H new ATOM 400 N GLY A 23 -25.946 -12.454 -4.651 1.00 13.32 N ATOM 401 CA GLY A 23 -27.302 -12.368 -5.161 1.00 51.03 C ATOM 402 C GLY A 23 -28.238 -11.658 -4.204 1.00 12.51 C ATOM 403 O GLY A 23 -28.688 -10.540 -4.457 1.00 10.33 O ATOM 0 H GLY A 23 -25.578 -11.585 -4.264 1.00 13.32 H new ATOM 0 HA2 GLY A 23 -27.295 -11.841 -6.115 1.00 51.03 H new ATOM 0 HA3 GLY A 23 -27.678 -13.373 -5.354 1.00 51.03 H new ATOM 407 N PRO A 24 -28.546 -12.314 -3.075 1.00 55.34 N ATOM 408 CA PRO A 24 -29.439 -11.757 -2.055 1.00 12.13 C ATOM 409 C PRO A 24 -28.812 -10.580 -1.315 1.00 63.22 C ATOM 410 O PRO A 24 -28.134 -10.761 -0.304 1.00 14.43 O ATOM 411 CB PRO A 24 -29.662 -12.932 -1.099 1.00 42.30 C ATOM 412 CG PRO A 24 -28.457 -13.792 -1.269 1.00 53.21 C ATOM 413 CD PRO A 24 -28.047 -13.649 -2.709 1.00 23.44 C ATOM 0 HA PRO A 24 -30.358 -11.362 -2.489 1.00 12.13 H new ATOM 0 HB2 PRO A 24 -29.763 -12.591 -0.069 1.00 42.30 H new ATOM 0 HB3 PRO A 24 -30.574 -13.475 -1.345 1.00 42.30 H new ATOM 0 HG2 PRO A 24 -27.655 -13.477 -0.602 1.00 53.21 H new ATOM 0 HG3 PRO A 24 -28.682 -14.831 -1.028 1.00 53.21 H new ATOM 0 HD2 PRO A 24 -26.966 -13.720 -2.828 1.00 23.44 H new ATOM 0 HD3 PRO A 24 -28.488 -14.427 -3.332 1.00 23.44 H new ATOM 421 N ALA A 25 -29.042 -9.375 -1.826 1.00 61.24 N ATOM 422 CA ALA A 25 -28.501 -8.169 -1.213 1.00 11.15 C ATOM 423 C ALA A 25 -29.555 -7.464 -0.365 1.00 22.53 C ATOM 424 O ALA A 25 -29.227 -6.737 0.573 1.00 32.41 O ATOM 425 CB ALA A 25 -27.965 -7.228 -2.281 1.00 51.32 C ATOM 0 H ALA A 25 -29.600 -9.208 -2.664 1.00 61.24 H new ATOM 0 HA ALA A 25 -27.681 -8.462 -0.558 1.00 11.15 H new ATOM 0 HB1 ALA A 25 -27.564 -6.331 -1.808 1.00 51.32 H new ATOM 0 HB2 ALA A 25 -27.175 -7.727 -2.842 1.00 51.32 H new ATOM 0 HB3 ALA A 25 -28.772 -6.950 -2.959 1.00 51.32 H new ATOM 431 N VAL A 26 -30.822 -7.684 -0.701 1.00 60.11 N ATOM 432 CA VAL A 26 -31.924 -7.070 0.030 1.00 73.52 C ATOM 433 C VAL A 26 -31.798 -7.322 1.528 1.00 4.21 C ATOM 434 O VAL A 26 -31.756 -6.384 2.324 1.00 44.12 O ATOM 435 CB VAL A 26 -33.285 -7.603 -0.456 1.00 33.52 C ATOM 436 CG1 VAL A 26 -34.420 -6.963 0.329 1.00 74.42 C ATOM 437 CG2 VAL A 26 -33.452 -7.357 -1.948 1.00 31.04 C ATOM 0 H VAL A 26 -31.111 -8.283 -1.475 1.00 60.11 H new ATOM 0 HA VAL A 26 -31.872 -5.998 -0.161 1.00 73.52 H new ATOM 0 HB VAL A 26 -33.317 -8.679 -0.283 1.00 33.52 H new ATOM 0 HG11 VAL A 26 -35.374 -7.352 -0.028 1.00 74.42 H new ATOM 0 HG12 VAL A 26 -34.307 -7.196 1.388 1.00 74.42 H new ATOM 0 HG13 VAL A 26 -34.394 -5.882 0.191 1.00 74.42 H new ATOM 0 HG21 VAL A 26 -34.419 -7.740 -2.274 1.00 31.04 H new ATOM 0 HG22 VAL A 26 -33.399 -6.287 -2.148 1.00 31.04 H new ATOM 0 HG23 VAL A 26 -32.657 -7.868 -2.492 1.00 31.04 H new ATOM 447 N ALA A 27 -31.737 -8.594 1.906 1.00 63.50 N ATOM 448 CA ALA A 27 -31.612 -8.970 3.309 1.00 52.30 C ATOM 449 C ALA A 27 -30.410 -8.289 3.955 1.00 61.14 C ATOM 450 O ALA A 27 -30.547 -7.576 4.949 1.00 72.31 O ATOM 451 CB ALA A 27 -31.500 -10.481 3.443 1.00 34.21 C ATOM 0 H ALA A 27 -31.772 -9.382 1.260 1.00 63.50 H new ATOM 0 HA ALA A 27 -32.509 -8.636 3.830 1.00 52.30 H new ATOM 0 HB1 ALA A 27 -31.407 -10.747 4.496 1.00 34.21 H new ATOM 0 HB2 ALA A 27 -32.392 -10.950 3.027 1.00 34.21 H new ATOM 0 HB3 ALA A 27 -30.621 -10.830 2.902 1.00 34.21 H new ATOM 457 N VAL A 28 -29.231 -8.514 3.383 1.00 21.13 N ATOM 458 CA VAL A 28 -28.004 -7.922 3.903 1.00 31.02 C ATOM 459 C VAL A 28 -28.152 -6.415 4.077 1.00 40.44 C ATOM 460 O VAL A 28 -28.041 -5.893 5.186 1.00 14.41 O ATOM 461 CB VAL A 28 -26.807 -8.206 2.976 1.00 32.13 C ATOM 462 CG1 VAL A 28 -25.536 -7.592 3.542 1.00 21.13 C ATOM 463 CG2 VAL A 28 -26.639 -9.704 2.768 1.00 40.41 C ATOM 0 H VAL A 28 -29.100 -9.102 2.560 1.00 21.13 H new ATOM 0 HA VAL A 28 -27.818 -8.380 4.874 1.00 31.02 H new ATOM 0 HB VAL A 28 -27.003 -7.747 2.007 1.00 32.13 H new ATOM 0 HG11 VAL A 28 -24.701 -7.803 2.874 1.00 21.13 H new ATOM 0 HG12 VAL A 28 -25.663 -6.513 3.635 1.00 21.13 H new ATOM 0 HG13 VAL A 28 -25.332 -8.019 4.524 1.00 21.13 H new ATOM 0 HG21 VAL A 28 -25.789 -9.887 2.111 1.00 40.41 H new ATOM 0 HG22 VAL A 28 -26.465 -10.188 3.729 1.00 40.41 H new ATOM 0 HG23 VAL A 28 -27.542 -10.112 2.315 1.00 40.41 H new ATOM 473 N VAL A 29 -28.403 -5.719 2.972 1.00 73.10 N ATOM 474 CA VAL A 29 -28.568 -4.271 3.001 1.00 12.24 C ATOM 475 C VAL A 29 -29.592 -3.856 4.052 1.00 54.44 C ATOM 476 O VAL A 29 -29.292 -3.071 4.951 1.00 71.52 O ATOM 477 CB VAL A 29 -29.008 -3.728 1.629 1.00 41.03 C ATOM 478 CG1 VAL A 29 -29.203 -2.221 1.688 1.00 54.30 C ATOM 479 CG2 VAL A 29 -27.993 -4.100 0.559 1.00 64.51 C ATOM 0 H VAL A 29 -28.496 -6.135 2.046 1.00 73.10 H new ATOM 0 HA VAL A 29 -27.597 -3.847 3.256 1.00 12.24 H new ATOM 0 HB VAL A 29 -29.963 -4.184 1.367 1.00 41.03 H new ATOM 0 HG11 VAL A 29 -29.514 -1.856 0.709 1.00 54.30 H new ATOM 0 HG12 VAL A 29 -29.970 -1.982 2.425 1.00 54.30 H new ATOM 0 HG13 VAL A 29 -28.265 -1.744 1.972 1.00 54.30 H new ATOM 0 HG21 VAL A 29 -28.320 -3.708 -0.404 1.00 64.51 H new ATOM 0 HG22 VAL A 29 -27.023 -3.674 0.814 1.00 64.51 H new ATOM 0 HG23 VAL A 29 -27.908 -5.185 0.500 1.00 64.51 H new ATOM 489 N GLY A 30 -30.805 -4.388 3.931 1.00 1.02 N ATOM 490 CA GLY A 30 -31.856 -4.061 4.877 1.00 22.31 C ATOM 491 C GLY A 30 -31.426 -4.270 6.316 1.00 75.53 C ATOM 492 O GLY A 30 -31.697 -3.435 7.178 1.00 45.22 O ATOM 0 H GLY A 30 -31.078 -5.039 3.195 1.00 1.02 H new ATOM 0 HA2 GLY A 30 -32.156 -3.022 4.738 1.00 22.31 H new ATOM 0 HA3 GLY A 30 -32.732 -4.676 4.670 1.00 22.31 H new ATOM 496 N GLN A 31 -30.758 -5.389 6.575 1.00 22.44 N ATOM 497 CA GLN A 31 -30.293 -5.706 7.921 1.00 61.24 C ATOM 498 C GLN A 31 -29.372 -4.612 8.450 1.00 22.11 C ATOM 499 O GLN A 31 -29.721 -3.891 9.384 1.00 34.21 O ATOM 500 CB GLN A 31 -29.564 -7.051 7.927 1.00 3.25 C ATOM 501 CG GLN A 31 -30.442 -8.217 8.350 1.00 31.23 C ATOM 502 CD GLN A 31 -30.334 -8.522 9.831 1.00 35.14 C ATOM 503 OE1 GLN A 31 -29.513 -9.338 10.251 1.00 1.30 O ATOM 504 NE2 GLN A 31 -31.166 -7.867 10.633 1.00 41.41 N ATOM 0 H GLN A 31 -30.527 -6.091 5.872 1.00 22.44 H new ATOM 0 HA GLN A 31 -31.163 -5.770 8.574 1.00 61.24 H new ATOM 0 HB2 GLN A 31 -29.171 -7.246 6.929 1.00 3.25 H new ATOM 0 HB3 GLN A 31 -28.709 -6.988 8.600 1.00 3.25 H new ATOM 0 HG2 GLN A 31 -31.480 -7.993 8.104 1.00 31.23 H new ATOM 0 HG3 GLN A 31 -30.163 -9.103 7.779 1.00 31.23 H new ATOM 0 HE21 GLN A 31 -31.831 -7.199 10.243 1.00 41.41 H new ATOM 0 HE22 GLN A 31 -31.140 -8.032 11.639 1.00 41.41 H new ATOM 513 N ALA A 32 -28.193 -4.494 7.847 1.00 33.51 N ATOM 514 CA ALA A 32 -27.223 -3.487 8.257 1.00 63.21 C ATOM 515 C ALA A 32 -27.854 -2.100 8.296 1.00 54.12 C ATOM 516 O ALA A 32 -27.633 -1.333 9.232 1.00 10.22 O ATOM 517 CB ALA A 32 -26.024 -3.497 7.320 1.00 60.41 C ATOM 0 H ALA A 32 -27.887 -5.084 7.073 1.00 33.51 H new ATOM 0 HA ALA A 32 -26.886 -3.732 9.264 1.00 63.21 H new ATOM 0 HB1 ALA A 32 -25.307 -2.740 7.638 1.00 60.41 H new ATOM 0 HB2 ALA A 32 -25.550 -4.478 7.346 1.00 60.41 H new ATOM 0 HB3 ALA A 32 -26.354 -3.280 6.304 1.00 60.41 H new ATOM 523 N ALA A 33 -28.641 -1.784 7.272 1.00 31.12 N ATOM 524 CA ALA A 33 -29.306 -0.489 7.191 1.00 63.44 C ATOM 525 C ALA A 33 -30.217 -0.263 8.392 1.00 22.23 C ATOM 526 O ALA A 33 -30.171 0.789 9.031 1.00 71.13 O ATOM 527 CB ALA A 33 -30.099 -0.384 5.897 1.00 74.22 C ATOM 0 H ALA A 33 -28.833 -2.407 6.488 1.00 31.12 H new ATOM 0 HA ALA A 33 -28.540 0.286 7.199 1.00 63.44 H new ATOM 0 HB1 ALA A 33 -30.591 0.588 5.849 1.00 74.22 H new ATOM 0 HB2 ALA A 33 -29.425 -0.492 5.047 1.00 74.22 H new ATOM 0 HB3 ALA A 33 -30.851 -1.173 5.866 1.00 74.22 H new ATOM 533 N THR A 34 -31.046 -1.257 8.696 1.00 23.31 N ATOM 534 CA THR A 34 -31.969 -1.166 9.820 1.00 71.01 C ATOM 535 C THR A 34 -31.219 -1.144 11.147 1.00 35.41 C ATOM 536 O THR A 34 -31.613 -0.448 12.083 1.00 73.21 O ATOM 537 CB THR A 34 -32.966 -2.341 9.825 1.00 5.32 C ATOM 538 OG1 THR A 34 -33.718 -2.350 8.607 1.00 32.11 O ATOM 539 CG2 THR A 34 -33.912 -2.242 11.012 1.00 54.33 C ATOM 0 H THR A 34 -31.097 -2.135 8.179 1.00 23.31 H new ATOM 0 HA THR A 34 -32.520 -0.233 9.702 1.00 71.01 H new ATOM 0 HB THR A 34 -32.401 -3.269 9.908 1.00 5.32 H new ATOM 0 HG1 THR A 34 -33.168 -2.722 7.886 1.00 32.11 H new ATOM 0 HG21 THR A 34 -34.607 -3.082 10.995 1.00 54.33 H new ATOM 0 HG22 THR A 34 -33.338 -2.265 11.938 1.00 54.33 H new ATOM 0 HG23 THR A 34 -34.471 -1.308 10.955 1.00 54.33 H new ATOM 547 N VAL A 35 -30.136 -1.911 11.222 1.00 10.11 N ATOM 548 CA VAL A 35 -29.330 -1.978 12.435 1.00 64.21 C ATOM 549 C VAL A 35 -28.605 -0.661 12.687 1.00 44.14 C ATOM 550 O VAL A 35 -28.537 -0.183 13.819 1.00 34.33 O ATOM 551 CB VAL A 35 -28.293 -3.115 12.358 1.00 74.25 C ATOM 552 CG1 VAL A 35 -27.444 -3.150 13.619 1.00 63.23 C ATOM 553 CG2 VAL A 35 -28.985 -4.451 12.133 1.00 20.44 C ATOM 0 H VAL A 35 -29.797 -2.494 10.457 1.00 10.11 H new ATOM 0 HA VAL A 35 -30.015 -2.176 13.259 1.00 64.21 H new ATOM 0 HB VAL A 35 -27.633 -2.926 11.511 1.00 74.25 H new ATOM 0 HG11 VAL A 35 -26.718 -3.959 13.546 1.00 63.23 H new ATOM 0 HG12 VAL A 35 -26.920 -2.201 13.731 1.00 63.23 H new ATOM 0 HG13 VAL A 35 -28.085 -3.315 14.485 1.00 63.23 H new ATOM 0 HG21 VAL A 35 -28.238 -5.243 12.081 1.00 20.44 H new ATOM 0 HG22 VAL A 35 -29.669 -4.650 12.958 1.00 20.44 H new ATOM 0 HG23 VAL A 35 -29.545 -4.418 11.198 1.00 20.44 H new ATOM 563 N VAL A 36 -28.063 -0.077 11.622 1.00 11.03 N ATOM 564 CA VAL A 36 -27.344 1.187 11.727 1.00 62.02 C ATOM 565 C VAL A 36 -28.307 2.354 11.911 1.00 34.11 C ATOM 566 O VAL A 36 -28.135 3.181 12.807 1.00 31.40 O ATOM 567 CB VAL A 36 -26.476 1.444 10.480 1.00 32.24 C ATOM 568 CG1 VAL A 36 -25.758 2.780 10.595 1.00 32.25 C ATOM 569 CG2 VAL A 36 -25.482 0.310 10.281 1.00 4.13 C ATOM 0 H VAL A 36 -28.108 -0.459 10.677 1.00 11.03 H new ATOM 0 HA VAL A 36 -26.698 1.112 12.602 1.00 62.02 H new ATOM 0 HB VAL A 36 -27.127 1.483 9.607 1.00 32.24 H new ATOM 0 HG11 VAL A 36 -25.150 2.944 9.705 1.00 32.25 H new ATOM 0 HG12 VAL A 36 -26.492 3.581 10.686 1.00 32.25 H new ATOM 0 HG13 VAL A 36 -25.117 2.774 11.476 1.00 32.25 H new ATOM 0 HG21 VAL A 36 -24.877 0.508 9.396 1.00 4.13 H new ATOM 0 HG22 VAL A 36 -24.834 0.237 11.154 1.00 4.13 H new ATOM 0 HG23 VAL A 36 -26.022 -0.628 10.150 1.00 4.13 H new ATOM 579 N LYS A 37 -29.324 2.415 11.057 1.00 5.42 N ATOM 580 CA LYS A 37 -30.318 3.480 11.125 1.00 25.04 C ATOM 581 C LYS A 37 -30.972 3.526 12.503 1.00 43.15 C ATOM 582 O LYS A 37 -30.901 4.538 13.201 1.00 65.22 O ATOM 583 CB LYS A 37 -31.386 3.278 10.048 1.00 4.31 C ATOM 584 CG LYS A 37 -32.389 4.416 9.966 1.00 63.23 C ATOM 585 CD LYS A 37 -33.756 3.922 9.524 1.00 14.34 C ATOM 586 CE LYS A 37 -34.276 4.712 8.333 1.00 72.01 C ATOM 587 NZ LYS A 37 -33.902 4.075 7.040 1.00 53.13 N ATOM 0 H LYS A 37 -29.481 1.739 10.310 1.00 5.42 H new ATOM 0 HA LYS A 37 -29.811 4.429 10.951 1.00 25.04 H new ATOM 0 HB2 LYS A 37 -30.897 3.165 9.080 1.00 4.31 H new ATOM 0 HB3 LYS A 37 -31.919 2.348 10.247 1.00 4.31 H new ATOM 0 HG2 LYS A 37 -32.473 4.899 10.939 1.00 63.23 H new ATOM 0 HG3 LYS A 37 -32.029 5.170 9.266 1.00 63.23 H new ATOM 0 HD2 LYS A 37 -33.695 2.866 9.263 1.00 14.34 H new ATOM 0 HD3 LYS A 37 -34.459 4.005 10.352 1.00 14.34 H new ATOM 0 HE2 LYS A 37 -35.361 4.794 8.397 1.00 72.01 H new ATOM 0 HE3 LYS A 37 -33.877 5.726 8.367 1.00 72.01 H new ATOM 0 HZ1 LYS A 37 -34.275 4.643 6.253 1.00 53.13 H new ATOM 0 HZ2 LYS A 37 -32.866 4.020 6.967 1.00 53.13 H new ATOM 0 HZ3 LYS A 37 -34.304 3.117 6.996 1.00 53.13 H new HETATM 601 N NH2 A 38 -31.608 2.424 12.888 1.00 44.31 N TER 603 NH2 A 38