USER MOD reduce.3.24.130724 H: found=0, std=0, add=253, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 252 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 22 TYR OH : rot 152:sc=-0.00065! USER MOD Set 1.2: A 27 GLN : amide:sc= -0.973! C(o=-0.97!,f=-7.6!) USER MOD Single : A 1 CYS N :NH3+ -156:sc= 1.04 (180deg=0.46) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 165:sc= -1.43 (180deg=-2.15!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot 180:sc= 0.0177 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -4.88! C(o=-4.9!,f=-15!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN :FLIP amide:sc= -4.36! C(o=-6.7!,f=-4.4!) USER MOD Single : A 28 GLN : amide:sc= -0.408 X(o=-0.41,f=-0.56) USER MOD Single : A 29 SER OG : rot 140:sc= 0.421 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 4.316 -10.303 -1.540 1.00 0.00 N ATOM 2 CA CYS A 1 3.509 -9.055 -1.482 1.00 0.00 C ATOM 3 C CYS A 1 3.691 -8.385 -0.112 1.00 0.00 C ATOM 4 O CYS A 1 3.660 -9.041 0.912 1.00 0.00 O ATOM 5 CB CYS A 1 2.028 -9.396 -1.668 1.00 0.00 C ATOM 6 SG CYS A 1 1.631 -10.902 -0.746 1.00 0.00 S ATOM 0 H1 CYS A 1 4.528 -10.534 -2.532 1.00 0.00 H new ATOM 0 H2 CYS A 1 5.205 -10.166 -1.019 1.00 0.00 H new ATOM 0 H3 CYS A 1 3.780 -11.083 -1.110 1.00 0.00 H new ATOM 0 HA CYS A 1 3.839 -8.380 -2.271 1.00 0.00 H new ATOM 0 HB2 CYS A 1 1.408 -8.570 -1.320 1.00 0.00 H new ATOM 0 HB3 CYS A 1 1.807 -9.536 -2.726 1.00 0.00 H new ATOM 13 N GLY A 2 3.873 -7.088 -0.073 1.00 0.00 N ATOM 14 CA GLY A 2 4.038 -6.407 1.246 1.00 0.00 C ATOM 15 C GLY A 2 2.662 -6.172 1.886 1.00 0.00 C ATOM 16 O GLY A 2 1.747 -5.688 1.251 1.00 0.00 O ATOM 0 H GLY A 2 3.914 -6.478 -0.889 1.00 0.00 H new ATOM 0 HA2 GLY A 2 4.657 -7.016 1.905 1.00 0.00 H new ATOM 0 HA3 GLY A 2 4.554 -5.456 1.113 1.00 0.00 H new ATOM 20 N SER A 3 2.518 -6.502 3.147 1.00 0.00 N ATOM 21 CA SER A 3 1.211 -6.292 3.853 1.00 0.00 C ATOM 22 C SER A 3 1.340 -5.074 4.771 1.00 0.00 C ATOM 23 O SER A 3 2.244 -4.278 4.615 1.00 0.00 O ATOM 24 CB SER A 3 0.877 -7.532 4.684 1.00 0.00 C ATOM 25 OG SER A 3 0.437 -8.573 3.821 1.00 0.00 O ATOM 0 H SER A 3 3.254 -6.911 3.723 1.00 0.00 H new ATOM 0 HA SER A 3 0.415 -6.125 3.127 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.754 -7.855 5.244 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.102 -7.297 5.413 1.00 0.00 H new ATOM 0 HG SER A 3 0.224 -9.369 4.351 1.00 0.00 H new ATOM 31 N LYS A 4 0.460 -4.908 5.732 1.00 0.00 N ATOM 32 CA LYS A 4 0.582 -3.721 6.632 1.00 0.00 C ATOM 33 C LYS A 4 2.050 -3.572 7.024 1.00 0.00 C ATOM 34 O LYS A 4 2.685 -4.527 7.423 1.00 0.00 O ATOM 35 CB LYS A 4 -0.257 -3.920 7.911 1.00 0.00 C ATOM 36 CG LYS A 4 -1.111 -2.670 8.176 1.00 0.00 C ATOM 37 CD LYS A 4 -1.567 -2.643 9.644 1.00 0.00 C ATOM 38 CE LYS A 4 -0.528 -1.918 10.508 1.00 0.00 C ATOM 39 NZ LYS A 4 -0.054 -0.681 9.816 1.00 0.00 N ATOM 0 H LYS A 4 -0.323 -5.532 5.928 1.00 0.00 H new ATOM 0 HA LYS A 4 0.221 -2.834 6.112 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -0.900 -4.794 7.803 1.00 0.00 H new ATOM 0 HB3 LYS A 4 0.399 -4.110 8.761 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -0.536 -1.772 7.949 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -1.979 -2.667 7.517 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -2.531 -2.141 9.724 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -1.707 -3.661 10.008 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -0.964 -1.659 11.473 1.00 0.00 H new ATOM 0 HE3 LYS A 4 0.316 -2.579 10.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 0.444 -0.072 10.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 0.594 -0.941 9.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -0.870 -0.168 9.424 1.00 0.00 H new ATOM 53 N ARG A 5 2.604 -2.401 6.907 1.00 0.00 N ATOM 54 CA ARG A 5 4.032 -2.238 7.272 1.00 0.00 C ATOM 55 C ARG A 5 4.858 -3.260 6.490 1.00 0.00 C ATOM 56 O ARG A 5 5.187 -4.314 6.997 1.00 0.00 O ATOM 57 CB ARG A 5 4.191 -2.501 8.775 1.00 0.00 C ATOM 58 CG ARG A 5 3.427 -1.442 9.570 1.00 0.00 C ATOM 59 CD ARG A 5 3.299 -1.897 11.026 1.00 0.00 C ATOM 60 NE ARG A 5 4.653 -2.064 11.630 1.00 0.00 N ATOM 61 CZ ARG A 5 5.222 -1.070 12.263 1.00 0.00 C ATOM 62 NH1 ARG A 5 4.623 0.084 12.347 1.00 0.00 N ATOM 63 NH2 ARG A 5 6.394 -1.239 12.809 1.00 0.00 N ATOM 0 H ARG A 5 2.134 -1.558 6.578 1.00 0.00 H new ATOM 0 HA ARG A 5 4.371 -1.229 7.036 1.00 0.00 H new ATOM 0 HB2 ARG A 5 3.816 -3.494 9.021 1.00 0.00 H new ATOM 0 HB3 ARG A 5 5.246 -2.482 9.047 1.00 0.00 H new ATOM 0 HG2 ARG A 5 3.949 -0.486 9.520 1.00 0.00 H new ATOM 0 HG3 ARG A 5 2.439 -1.288 9.137 1.00 0.00 H new ATOM 0 HD2 ARG A 5 2.726 -1.165 11.595 1.00 0.00 H new ATOM 0 HD3 ARG A 5 2.752 -2.838 11.075 1.00 0.00 H new ATOM 0 HE ARG A 5 5.138 -2.958 11.549 1.00 0.00 H new ATOM 0 HH11 ARG A 5 3.707 0.215 11.918 1.00 0.00 H new ATOM 0 HH12 ARG A 5 5.070 0.856 12.841 1.00 0.00 H new ATOM 0 HH21 ARG A 5 6.863 -2.142 12.741 1.00 0.00 H new ATOM 0 HH22 ARG A 5 6.842 -0.468 13.304 1.00 0.00 H new ATOM 77 N ALA A 6 5.197 -2.969 5.260 1.00 0.00 N ATOM 78 CA ALA A 6 5.999 -3.950 4.468 1.00 0.00 C ATOM 79 C ALA A 6 6.375 -3.360 3.105 1.00 0.00 C ATOM 80 O ALA A 6 5.536 -2.913 2.345 1.00 0.00 O ATOM 81 CB ALA A 6 5.176 -5.225 4.251 1.00 0.00 C ATOM 0 H ALA A 6 4.957 -2.105 4.774 1.00 0.00 H new ATOM 0 HA ALA A 6 6.910 -4.181 5.020 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.760 -5.941 3.673 1.00 0.00 H new ATOM 0 HB2 ALA A 6 4.919 -5.661 5.216 1.00 0.00 H new ATOM 0 HB3 ALA A 6 4.263 -4.981 3.709 1.00 0.00 H new ATOM 87 N TRP A 7 7.647 -3.360 2.804 1.00 0.00 N ATOM 88 CA TRP A 7 8.138 -2.810 1.510 1.00 0.00 C ATOM 89 C TRP A 7 7.333 -3.369 0.333 1.00 0.00 C ATOM 90 O TRP A 7 7.148 -4.564 0.202 1.00 0.00 O ATOM 91 CB TRP A 7 9.609 -3.195 1.339 1.00 0.00 C ATOM 92 CG TRP A 7 10.016 -2.997 -0.083 1.00 0.00 C ATOM 93 CD1 TRP A 7 10.420 -1.825 -0.618 1.00 0.00 C ATOM 94 CD2 TRP A 7 10.055 -3.977 -1.159 1.00 0.00 C ATOM 95 NE1 TRP A 7 10.709 -2.023 -1.958 1.00 0.00 N ATOM 96 CE2 TRP A 7 10.499 -3.335 -2.338 1.00 0.00 C ATOM 97 CE3 TRP A 7 9.751 -5.349 -1.223 1.00 0.00 C ATOM 98 CZ2 TRP A 7 10.636 -4.030 -3.541 1.00 0.00 C ATOM 99 CZ3 TRP A 7 9.888 -6.051 -2.431 1.00 0.00 C ATOM 100 CH2 TRP A 7 10.330 -5.395 -3.587 1.00 0.00 C ATOM 0 H TRP A 7 8.379 -3.726 3.414 1.00 0.00 H new ATOM 0 HA TRP A 7 8.021 -1.726 1.522 1.00 0.00 H new ATOM 0 HB2 TRP A 7 10.233 -2.587 1.994 1.00 0.00 H new ATOM 0 HB3 TRP A 7 9.759 -4.235 1.630 1.00 0.00 H new ATOM 0 HD1 TRP A 7 10.504 -0.888 -0.088 1.00 0.00 H new ATOM 0 HE1 TRP A 7 11.037 -1.290 -2.587 1.00 0.00 H new ATOM 0 HE3 TRP A 7 9.410 -5.865 -0.338 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 10.976 -3.518 -4.429 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 9.651 -7.104 -2.469 1.00 0.00 H new ATOM 0 HH2 TRP A 7 10.435 -5.942 -4.513 1.00 0.00 H new ATOM 111 N CYS A 8 6.888 -2.501 -0.539 1.00 0.00 N ATOM 112 CA CYS A 8 6.126 -2.949 -1.742 1.00 0.00 C ATOM 113 C CYS A 8 6.924 -2.542 -2.987 1.00 0.00 C ATOM 114 O CYS A 8 7.674 -1.586 -2.963 1.00 0.00 O ATOM 115 CB CYS A 8 4.744 -2.274 -1.772 1.00 0.00 C ATOM 116 SG CYS A 8 4.579 -1.249 -3.258 1.00 0.00 S ATOM 0 H CYS A 8 7.022 -1.492 -0.468 1.00 0.00 H new ATOM 0 HA CYS A 8 5.984 -4.029 -1.715 1.00 0.00 H new ATOM 0 HB2 CYS A 8 3.961 -3.032 -1.756 1.00 0.00 H new ATOM 0 HB3 CYS A 8 4.612 -1.660 -0.881 1.00 0.00 H new ATOM 121 N LYS A 9 6.768 -3.247 -4.072 1.00 0.00 N ATOM 122 CA LYS A 9 7.520 -2.885 -5.310 1.00 0.00 C ATOM 123 C LYS A 9 6.630 -1.992 -6.183 1.00 0.00 C ATOM 124 O LYS A 9 7.106 -1.202 -6.974 1.00 0.00 O ATOM 125 CB LYS A 9 7.906 -4.167 -6.069 1.00 0.00 C ATOM 126 CG LYS A 9 9.210 -3.949 -6.861 1.00 0.00 C ATOM 127 CD LYS A 9 8.892 -3.576 -8.310 1.00 0.00 C ATOM 128 CE LYS A 9 10.153 -3.021 -8.976 1.00 0.00 C ATOM 129 NZ LYS A 9 9.945 -2.948 -10.449 1.00 0.00 N ATOM 0 H LYS A 9 6.154 -4.057 -4.157 1.00 0.00 H new ATOM 0 HA LYS A 9 8.432 -2.345 -5.055 1.00 0.00 H new ATOM 0 HB2 LYS A 9 8.033 -4.990 -5.365 1.00 0.00 H new ATOM 0 HB3 LYS A 9 7.103 -4.451 -6.749 1.00 0.00 H new ATOM 0 HG2 LYS A 9 9.799 -3.159 -6.395 1.00 0.00 H new ATOM 0 HG3 LYS A 9 9.815 -4.855 -6.836 1.00 0.00 H new ATOM 0 HD2 LYS A 9 8.535 -4.451 -8.853 1.00 0.00 H new ATOM 0 HD3 LYS A 9 8.094 -2.834 -8.340 1.00 0.00 H new ATOM 0 HE2 LYS A 9 10.380 -2.031 -8.581 1.00 0.00 H new ATOM 0 HE3 LYS A 9 11.008 -3.659 -8.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 10.802 -2.571 -10.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 9.748 -3.900 -10.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 9.140 -2.322 -10.655 1.00 0.00 H new ATOM 143 N GLU A 10 5.339 -2.108 -6.031 1.00 0.00 N ATOM 144 CA GLU A 10 4.409 -1.265 -6.833 1.00 0.00 C ATOM 145 C GLU A 10 3.009 -1.335 -6.221 1.00 0.00 C ATOM 146 O GLU A 10 2.813 -1.878 -5.152 1.00 0.00 O ATOM 147 CB GLU A 10 4.361 -1.763 -8.280 1.00 0.00 C ATOM 148 CG GLU A 10 4.358 -3.291 -8.300 1.00 0.00 C ATOM 149 CD GLU A 10 4.274 -3.779 -9.749 1.00 0.00 C ATOM 150 OE1 GLU A 10 3.461 -3.244 -10.485 1.00 0.00 O ATOM 151 OE2 GLU A 10 5.023 -4.677 -10.096 1.00 0.00 O ATOM 0 H GLU A 10 4.887 -2.753 -5.383 1.00 0.00 H new ATOM 0 HA GLU A 10 4.764 -0.234 -6.826 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.469 -1.382 -8.776 1.00 0.00 H new ATOM 0 HB3 GLU A 10 5.220 -1.384 -8.834 1.00 0.00 H new ATOM 0 HG2 GLU A 10 5.262 -3.674 -7.827 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.513 -3.672 -7.727 1.00 0.00 H new ATOM 158 N LYS A 11 2.037 -0.788 -6.889 1.00 0.00 N ATOM 159 CA LYS A 11 0.645 -0.816 -6.347 1.00 0.00 C ATOM 160 C LYS A 11 0.198 -2.271 -6.180 1.00 0.00 C ATOM 161 O LYS A 11 -0.363 -2.651 -5.171 1.00 0.00 O ATOM 162 CB LYS A 11 -0.288 -0.117 -7.338 1.00 0.00 C ATOM 163 CG LYS A 11 -1.701 -0.020 -6.750 1.00 0.00 C ATOM 164 CD LYS A 11 -2.675 0.493 -7.822 1.00 0.00 C ATOM 165 CE LYS A 11 -2.470 1.993 -8.060 1.00 0.00 C ATOM 166 NZ LYS A 11 -3.409 2.456 -9.122 1.00 0.00 N ATOM 0 H LYS A 11 2.142 -0.320 -7.789 1.00 0.00 H new ATOM 0 HA LYS A 11 0.613 -0.308 -5.383 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.090 0.880 -7.564 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.313 -0.669 -8.278 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.023 -0.997 -6.390 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.703 0.652 -5.892 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -2.521 -0.053 -8.753 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.702 0.306 -7.508 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.645 2.547 -7.137 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.440 2.188 -8.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.273 3.474 -9.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -3.222 1.935 -10.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -4.389 2.282 -8.819 1.00 0.00 H new ATOM 180 N LYS A 12 0.450 -3.082 -7.167 1.00 0.00 N ATOM 181 CA LYS A 12 0.055 -4.519 -7.096 1.00 0.00 C ATOM 182 C LYS A 12 0.928 -5.262 -6.076 1.00 0.00 C ATOM 183 O LYS A 12 0.542 -6.287 -5.551 1.00 0.00 O ATOM 184 CB LYS A 12 0.224 -5.151 -8.489 1.00 0.00 C ATOM 185 CG LYS A 12 0.064 -6.675 -8.412 1.00 0.00 C ATOM 186 CD LYS A 12 -1.338 -7.036 -7.912 1.00 0.00 C ATOM 187 CE LYS A 12 -1.569 -8.543 -8.068 1.00 0.00 C ATOM 188 NZ LYS A 12 -1.012 -9.251 -6.880 1.00 0.00 N ATOM 0 H LYS A 12 0.918 -2.809 -8.031 1.00 0.00 H new ATOM 0 HA LYS A 12 -0.985 -4.594 -6.779 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -0.515 -4.736 -9.175 1.00 0.00 H new ATOM 0 HB3 LYS A 12 1.206 -4.903 -8.891 1.00 0.00 H new ATOM 0 HG2 LYS A 12 0.232 -7.116 -9.395 1.00 0.00 H new ATOM 0 HG3 LYS A 12 0.816 -7.093 -7.742 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -1.447 -6.748 -6.867 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -2.089 -6.483 -8.475 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -2.635 -8.751 -8.164 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -1.091 -8.904 -8.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -1.167 -10.274 -6.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 0.008 -9.060 -6.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -1.488 -8.913 -6.020 1.00 0.00 H new ATOM 202 N ASP A 13 2.114 -4.776 -5.824 1.00 0.00 N ATOM 203 CA ASP A 13 3.032 -5.481 -4.877 1.00 0.00 C ATOM 204 C ASP A 13 2.466 -5.521 -3.453 1.00 0.00 C ATOM 205 O ASP A 13 2.908 -6.310 -2.645 1.00 0.00 O ATOM 206 CB ASP A 13 4.393 -4.789 -4.856 1.00 0.00 C ATOM 207 CG ASP A 13 5.462 -5.782 -4.388 1.00 0.00 C ATOM 208 OD1 ASP A 13 5.597 -6.816 -5.020 1.00 0.00 O ATOM 209 OD2 ASP A 13 6.127 -5.493 -3.410 1.00 0.00 O ATOM 0 H ASP A 13 2.489 -3.920 -6.233 1.00 0.00 H new ATOM 0 HA ASP A 13 3.137 -6.507 -5.230 1.00 0.00 H new ATOM 0 HB2 ASP A 13 4.639 -4.415 -5.850 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.365 -3.927 -4.189 1.00 0.00 H new ATOM 214 N CYS A 14 1.506 -4.704 -3.109 1.00 0.00 N ATOM 215 CA CYS A 14 0.983 -4.774 -1.732 1.00 0.00 C ATOM 216 C CYS A 14 -0.059 -5.890 -1.680 1.00 0.00 C ATOM 217 O CYS A 14 -1.012 -5.903 -2.432 1.00 0.00 O ATOM 218 CB CYS A 14 0.342 -3.440 -1.357 1.00 0.00 C ATOM 219 SG CYS A 14 1.626 -2.203 -1.030 1.00 0.00 S ATOM 0 H CYS A 14 1.074 -4.007 -3.715 1.00 0.00 H new ATOM 0 HA CYS A 14 1.788 -4.980 -1.027 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -0.305 -3.099 -2.165 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -0.287 -3.565 -0.475 1.00 0.00 H new ATOM 224 N CYS A 15 0.149 -6.851 -0.825 1.00 0.00 N ATOM 225 CA CYS A 15 -0.786 -8.008 -0.735 1.00 0.00 C ATOM 226 C CYS A 15 -2.210 -7.551 -0.477 1.00 0.00 C ATOM 227 O CYS A 15 -2.514 -6.376 -0.437 1.00 0.00 O ATOM 228 CB CYS A 15 -0.353 -8.926 0.419 1.00 0.00 C ATOM 229 SG CYS A 15 -0.282 -10.642 -0.155 1.00 0.00 S ATOM 0 H CYS A 15 0.936 -6.885 -0.177 1.00 0.00 H new ATOM 0 HA CYS A 15 -0.754 -8.539 -1.686 1.00 0.00 H new ATOM 0 HB2 CYS A 15 0.623 -8.618 0.794 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -1.055 -8.839 1.248 1.00 0.00 H new ATOM 234 N CYS A 16 -3.059 -8.511 -0.246 1.00 0.00 N ATOM 235 CA CYS A 16 -4.479 -8.245 0.084 1.00 0.00 C ATOM 236 C CYS A 16 -4.922 -6.870 -0.399 1.00 0.00 C ATOM 237 O CYS A 16 -4.540 -6.398 -1.450 1.00 0.00 O ATOM 238 CB CYS A 16 -4.593 -8.356 1.598 1.00 0.00 C ATOM 239 SG CYS A 16 -6.117 -9.212 2.063 1.00 0.00 S ATOM 0 H CYS A 16 -2.815 -9.501 -0.274 1.00 0.00 H new ATOM 0 HA CYS A 16 -5.131 -8.961 -0.417 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.732 -8.895 1.994 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -4.579 -7.361 2.043 1.00 0.00 H new ATOM 0 HG CYS A 16 -6.190 -9.296 3.358 1.00 0.00 H new ATOM 244 N GLY A 17 -5.740 -6.250 0.372 1.00 0.00 N ATOM 245 CA GLY A 17 -6.268 -4.905 0.024 1.00 0.00 C ATOM 246 C GLY A 17 -5.327 -3.849 0.581 1.00 0.00 C ATOM 247 O GLY A 17 -5.728 -2.755 0.924 1.00 0.00 O ATOM 0 H GLY A 17 -6.082 -6.622 1.258 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.353 -4.802 -1.058 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -7.268 -4.774 0.437 1.00 0.00 H new ATOM 251 N TYR A 18 -4.074 -4.177 0.675 1.00 0.00 N ATOM 252 CA TYR A 18 -3.087 -3.201 1.218 1.00 0.00 C ATOM 253 C TYR A 18 -2.670 -2.261 0.088 1.00 0.00 C ATOM 254 O TYR A 18 -2.413 -2.691 -1.019 1.00 0.00 O ATOM 255 CB TYR A 18 -1.842 -3.951 1.705 1.00 0.00 C ATOM 256 CG TYR A 18 -2.148 -4.775 2.929 1.00 0.00 C ATOM 257 CD1 TYR A 18 -2.058 -4.198 4.196 1.00 0.00 C ATOM 258 CD2 TYR A 18 -2.512 -6.116 2.798 1.00 0.00 C ATOM 259 CE1 TYR A 18 -2.330 -4.966 5.334 1.00 0.00 C ATOM 260 CE2 TYR A 18 -2.785 -6.883 3.935 1.00 0.00 C ATOM 261 CZ TYR A 18 -2.697 -6.305 5.202 1.00 0.00 C ATOM 262 OH TYR A 18 -2.966 -7.060 6.326 1.00 0.00 O ATOM 0 H TYR A 18 -3.686 -5.079 0.400 1.00 0.00 H new ATOM 0 HA TYR A 18 -3.531 -2.645 2.044 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -1.470 -4.598 0.911 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -1.050 -3.238 1.932 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -1.779 -3.160 4.299 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -2.583 -6.562 1.817 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -2.256 -4.521 6.315 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -3.064 -7.921 3.833 1.00 0.00 H new ATOM 0 HH TYR A 18 -3.208 -7.971 6.058 1.00 0.00 H new ATOM 272 N ASN A 19 -2.607 -0.976 0.344 1.00 0.00 N ATOM 273 CA ASN A 19 -2.210 -0.032 -0.745 1.00 0.00 C ATOM 274 C ASN A 19 -0.733 0.321 -0.596 1.00 0.00 C ATOM 275 O ASN A 19 -0.205 0.359 0.491 1.00 0.00 O ATOM 276 CB ASN A 19 -3.045 1.248 -0.657 1.00 0.00 C ATOM 277 CG ASN A 19 -2.522 2.114 0.488 1.00 0.00 C ATOM 278 OD1 ASN A 19 -2.074 1.604 1.490 1.00 0.00 O ATOM 279 ND2 ASN A 19 -2.538 3.413 0.369 1.00 0.00 N ATOM 0 H ASN A 19 -2.810 -0.546 1.246 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.381 -0.508 -1.710 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -2.991 1.797 -1.597 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -4.094 1.001 -0.492 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -2.173 3.998 1.120 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -2.915 3.843 -0.475 1.00 0.00 H new ATOM 286 N CYS A 20 -0.061 0.582 -1.681 1.00 0.00 N ATOM 287 CA CYS A 20 1.384 0.932 -1.590 1.00 0.00 C ATOM 288 C CYS A 20 1.552 2.446 -1.459 1.00 0.00 C ATOM 289 O CYS A 20 1.057 3.211 -2.263 1.00 0.00 O ATOM 290 CB CYS A 20 2.101 0.449 -2.850 1.00 0.00 C ATOM 291 SG CYS A 20 3.887 0.519 -2.576 1.00 0.00 S ATOM 0 H CYS A 20 -0.448 0.568 -2.625 1.00 0.00 H new ATOM 0 HA CYS A 20 1.813 0.450 -0.712 1.00 0.00 H new ATOM 0 HB2 CYS A 20 1.797 -0.570 -3.089 1.00 0.00 H new ATOM 0 HB3 CYS A 20 1.826 1.072 -3.701 1.00 0.00 H new ATOM 296 N VAL A 21 2.260 2.875 -0.451 1.00 0.00 N ATOM 297 CA VAL A 21 2.490 4.334 -0.246 1.00 0.00 C ATOM 298 C VAL A 21 3.997 4.588 -0.284 1.00 0.00 C ATOM 299 O VAL A 21 4.763 3.901 0.361 1.00 0.00 O ATOM 300 CB VAL A 21 1.930 4.749 1.118 1.00 0.00 C ATOM 301 CG1 VAL A 21 2.170 6.243 1.341 1.00 0.00 C ATOM 302 CG2 VAL A 21 0.426 4.462 1.159 1.00 0.00 C ATOM 0 H VAL A 21 2.694 2.271 0.247 1.00 0.00 H new ATOM 0 HA VAL A 21 1.992 4.913 -1.024 1.00 0.00 H new ATOM 0 HB VAL A 21 2.432 4.183 1.902 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.770 6.535 2.312 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.240 6.448 1.313 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.671 6.813 0.557 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.026 4.757 2.129 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.074 5.028 0.373 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.255 3.397 1.004 1.00 0.00 H new ATOM 312 N TYR A 22 4.438 5.551 -1.041 1.00 0.00 N ATOM 313 CA TYR A 22 5.904 5.807 -1.112 1.00 0.00 C ATOM 314 C TYR A 22 6.339 6.572 0.143 1.00 0.00 C ATOM 315 O TYR A 22 5.834 7.639 0.435 1.00 0.00 O ATOM 316 CB TYR A 22 6.207 6.633 -2.366 1.00 0.00 C ATOM 317 CG TYR A 22 7.652 6.450 -2.761 1.00 0.00 C ATOM 318 CD1 TYR A 22 8.036 5.304 -3.470 1.00 0.00 C ATOM 319 CD2 TYR A 22 8.604 7.420 -2.432 1.00 0.00 C ATOM 320 CE1 TYR A 22 9.370 5.129 -3.848 1.00 0.00 C ATOM 321 CE2 TYR A 22 9.940 7.245 -2.813 1.00 0.00 C ATOM 322 CZ TYR A 22 10.323 6.098 -3.520 1.00 0.00 C ATOM 323 OH TYR A 22 11.637 5.926 -3.899 1.00 0.00 O ATOM 0 H TYR A 22 3.856 6.167 -1.608 1.00 0.00 H new ATOM 0 HA TYR A 22 6.450 4.865 -1.164 1.00 0.00 H new ATOM 0 HB2 TYR A 22 5.555 6.324 -3.183 1.00 0.00 H new ATOM 0 HB3 TYR A 22 6.003 7.687 -2.177 1.00 0.00 H new ATOM 0 HD1 TYR A 22 7.300 4.555 -3.725 1.00 0.00 H new ATOM 0 HD2 TYR A 22 8.309 8.303 -1.885 1.00 0.00 H new ATOM 0 HE1 TYR A 22 9.665 4.245 -4.394 1.00 0.00 H new ATOM 0 HE2 TYR A 22 10.676 7.995 -2.562 1.00 0.00 H new ATOM 0 HH TYR A 22 12.062 6.802 -4.013 1.00 0.00 H new ATOM 333 N ALA A 23 7.268 6.033 0.892 1.00 0.00 N ATOM 334 CA ALA A 23 7.731 6.723 2.134 1.00 0.00 C ATOM 335 C ALA A 23 9.027 7.489 1.859 1.00 0.00 C ATOM 336 O ALA A 23 10.113 6.970 2.033 1.00 0.00 O ATOM 337 CB ALA A 23 7.975 5.683 3.232 1.00 0.00 C ATOM 0 H ALA A 23 7.726 5.143 0.696 1.00 0.00 H new ATOM 0 HA ALA A 23 6.965 7.427 2.458 1.00 0.00 H new ATOM 0 HB1 ALA A 23 8.313 6.184 4.139 1.00 0.00 H new ATOM 0 HB2 ALA A 23 7.049 5.147 3.437 1.00 0.00 H new ATOM 0 HB3 ALA A 23 8.737 4.977 2.902 1.00 0.00 H new ATOM 343 N TRP A 24 8.928 8.719 1.434 1.00 0.00 N ATOM 344 CA TRP A 24 10.159 9.515 1.157 1.00 0.00 C ATOM 345 C TRP A 24 11.102 9.434 2.363 1.00 0.00 C ATOM 346 O TRP A 24 12.225 9.899 2.317 1.00 0.00 O ATOM 347 CB TRP A 24 9.792 10.985 0.894 1.00 0.00 C ATOM 348 CG TRP A 24 8.396 11.258 1.356 1.00 0.00 C ATOM 349 CD1 TRP A 24 8.034 11.486 2.638 1.00 0.00 C ATOM 350 CD2 TRP A 24 7.176 11.346 0.563 1.00 0.00 C ATOM 351 NE1 TRP A 24 6.670 11.706 2.686 1.00 0.00 N ATOM 352 CE2 TRP A 24 6.095 11.631 1.432 1.00 0.00 C ATOM 353 CE3 TRP A 24 6.906 11.208 -0.810 1.00 0.00 C ATOM 354 CZ2 TRP A 24 4.792 11.774 0.955 1.00 0.00 C ATOM 355 CZ3 TRP A 24 5.595 11.351 -1.293 1.00 0.00 C ATOM 356 CH2 TRP A 24 4.541 11.634 -0.413 1.00 0.00 C ATOM 0 H TRP A 24 8.048 9.208 1.266 1.00 0.00 H new ATOM 0 HA TRP A 24 10.653 9.108 0.275 1.00 0.00 H new ATOM 0 HB2 TRP A 24 10.490 11.641 1.414 1.00 0.00 H new ATOM 0 HB3 TRP A 24 9.881 11.205 -0.170 1.00 0.00 H new ATOM 0 HD1 TRP A 24 8.702 11.495 3.487 1.00 0.00 H new ATOM 0 HE1 TRP A 24 6.151 11.900 3.543 1.00 0.00 H new ATOM 0 HE3 TRP A 24 7.711 10.991 -1.497 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 3.983 11.991 1.637 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 5.398 11.242 -2.349 1.00 0.00 H new ATOM 0 HH2 TRP A 24 3.536 11.744 -0.792 1.00 0.00 H new ATOM 367 N TYR A 25 10.655 8.857 3.446 1.00 0.00 N ATOM 368 CA TYR A 25 11.525 8.762 4.650 1.00 0.00 C ATOM 369 C TYR A 25 12.812 8.006 4.304 1.00 0.00 C ATOM 370 O TYR A 25 13.899 8.426 4.651 1.00 0.00 O ATOM 371 CB TYR A 25 10.777 8.010 5.763 1.00 0.00 C ATOM 372 CG TYR A 25 10.164 8.993 6.733 1.00 0.00 C ATOM 373 CD1 TYR A 25 8.906 9.548 6.476 1.00 0.00 C ATOM 374 CD2 TYR A 25 10.861 9.343 7.895 1.00 0.00 C ATOM 375 CE1 TYR A 25 8.345 10.457 7.382 1.00 0.00 C ATOM 376 CE2 TYR A 25 10.301 10.250 8.800 1.00 0.00 C ATOM 377 CZ TYR A 25 9.042 10.807 8.544 1.00 0.00 C ATOM 378 OH TYR A 25 8.487 11.700 9.439 1.00 0.00 O ATOM 0 H TYR A 25 9.726 8.448 3.547 1.00 0.00 H new ATOM 0 HA TYR A 25 11.778 9.766 4.990 1.00 0.00 H new ATOM 0 HB2 TYR A 25 9.999 7.382 5.329 1.00 0.00 H new ATOM 0 HB3 TYR A 25 11.464 7.348 6.290 1.00 0.00 H new ATOM 0 HD1 TYR A 25 8.368 9.276 5.580 1.00 0.00 H new ATOM 0 HD2 TYR A 25 11.832 8.913 8.093 1.00 0.00 H new ATOM 0 HE1 TYR A 25 7.375 10.888 7.184 1.00 0.00 H new ATOM 0 HE2 TYR A 25 10.839 10.521 9.696 1.00 0.00 H new ATOM 0 HH TYR A 25 9.100 11.833 10.192 1.00 0.00 H new ATOM 388 N ASN A 26 12.704 6.894 3.631 1.00 0.00 N ATOM 389 CA ASN A 26 13.929 6.122 3.281 1.00 0.00 C ATOM 390 C ASN A 26 13.726 5.406 1.944 1.00 0.00 C ATOM 391 O ASN A 26 14.042 4.240 1.801 1.00 0.00 O ATOM 392 CB ASN A 26 14.209 5.092 4.380 1.00 0.00 C ATOM 393 CG ASN A 26 12.928 4.316 4.694 1.00 0.00 C ATOM 394 OD1 ASN A 26 11.851 4.972 5.030 1.00 0.00 O flip ATOM 395 ND2 ASN A 26 12.905 3.104 4.631 1.00 0.00 N flip ATOM 0 H ASN A 26 11.825 6.488 3.310 1.00 0.00 H new ATOM 0 HA ASN A 26 14.775 6.804 3.195 1.00 0.00 H new ATOM 0 HB2 ASN A 26 14.992 4.406 4.058 1.00 0.00 H new ATOM 0 HB3 ASN A 26 14.572 5.592 5.278 1.00 0.00 H new ATOM 0 HD21 ASN A 26 13.747 2.591 4.368 1.00 0.00 H new ATOM 0 HD22 ASN A 26 12.044 2.599 4.841 1.00 0.00 H new ATOM 402 N GLN A 27 13.200 6.092 0.961 1.00 0.00 N ATOM 403 CA GLN A 27 12.978 5.444 -0.364 1.00 0.00 C ATOM 404 C GLN A 27 12.376 4.054 -0.145 1.00 0.00 C ATOM 405 O GLN A 27 12.767 3.091 -0.774 1.00 0.00 O ATOM 406 CB GLN A 27 14.317 5.312 -1.093 1.00 0.00 C ATOM 407 CG GLN A 27 14.857 6.703 -1.442 1.00 0.00 C ATOM 408 CD GLN A 27 13.950 7.360 -2.486 1.00 0.00 C ATOM 409 OE1 GLN A 27 13.738 6.815 -3.549 1.00 0.00 O ATOM 410 NE2 GLN A 27 13.409 8.519 -2.227 1.00 0.00 N ATOM 0 H GLN A 27 12.916 7.070 1.020 1.00 0.00 H new ATOM 0 HA GLN A 27 12.297 6.049 -0.963 1.00 0.00 H new ATOM 0 HB2 GLN A 27 15.033 4.781 -0.465 1.00 0.00 H new ATOM 0 HB3 GLN A 27 14.191 4.722 -2.001 1.00 0.00 H new ATOM 0 HG2 GLN A 27 14.904 7.321 -0.546 1.00 0.00 H new ATOM 0 HG3 GLN A 27 15.873 6.623 -1.827 1.00 0.00 H new ATOM 0 HE21 GLN A 27 13.587 8.977 -1.333 1.00 0.00 H new ATOM 0 HE22 GLN A 27 12.808 8.967 -2.918 1.00 0.00 H new ATOM 419 N GLN A 28 11.433 3.951 0.755 1.00 0.00 N ATOM 420 CA GLN A 28 10.796 2.632 1.046 1.00 0.00 C ATOM 421 C GLN A 28 9.290 2.718 0.786 1.00 0.00 C ATOM 422 O GLN A 28 8.645 3.686 1.135 1.00 0.00 O ATOM 423 CB GLN A 28 11.055 2.279 2.519 1.00 0.00 C ATOM 424 CG GLN A 28 9.908 1.428 3.082 1.00 0.00 C ATOM 425 CD GLN A 28 10.316 0.860 4.442 1.00 0.00 C ATOM 426 OE1 GLN A 28 11.338 0.214 4.562 1.00 0.00 O ATOM 427 NE2 GLN A 28 9.562 1.087 5.484 1.00 0.00 N ATOM 0 H GLN A 28 11.074 4.731 1.306 1.00 0.00 H new ATOM 0 HA GLN A 28 11.218 1.861 0.401 1.00 0.00 H new ATOM 0 HB2 GLN A 28 11.996 1.735 2.608 1.00 0.00 H new ATOM 0 HB3 GLN A 28 11.158 3.193 3.105 1.00 0.00 H new ATOM 0 HG2 GLN A 28 9.008 2.034 3.184 1.00 0.00 H new ATOM 0 HG3 GLN A 28 9.670 0.617 2.393 1.00 0.00 H new ATOM 0 HE21 GLN A 28 8.704 1.629 5.384 1.00 0.00 H new ATOM 0 HE22 GLN A 28 9.831 0.722 6.398 1.00 0.00 H new ATOM 436 N SER A 29 8.723 1.707 0.187 1.00 0.00 N ATOM 437 CA SER A 29 7.258 1.724 -0.080 1.00 0.00 C ATOM 438 C SER A 29 6.550 0.977 1.054 1.00 0.00 C ATOM 439 O SER A 29 6.711 -0.214 1.213 1.00 0.00 O ATOM 440 CB SER A 29 6.990 1.023 -1.409 1.00 0.00 C ATOM 441 OG SER A 29 8.118 1.188 -2.256 1.00 0.00 O ATOM 0 H SER A 29 9.212 0.869 -0.129 1.00 0.00 H new ATOM 0 HA SER A 29 6.889 2.748 -0.132 1.00 0.00 H new ATOM 0 HB2 SER A 29 6.796 -0.037 -1.243 1.00 0.00 H new ATOM 0 HB3 SER A 29 6.101 1.440 -1.882 1.00 0.00 H new ATOM 0 HG SER A 29 8.291 0.352 -2.736 1.00 0.00 H new ATOM 447 N SER A 30 5.782 1.665 1.854 1.00 0.00 N ATOM 448 CA SER A 30 5.097 0.997 2.984 1.00 0.00 C ATOM 449 C SER A 30 3.650 0.666 2.623 1.00 0.00 C ATOM 450 O SER A 30 2.831 1.542 2.429 1.00 0.00 O ATOM 451 CB SER A 30 5.117 1.923 4.200 1.00 0.00 C ATOM 452 OG SER A 30 4.855 1.164 5.373 1.00 0.00 O ATOM 0 H SER A 30 5.602 2.665 1.769 1.00 0.00 H new ATOM 0 HA SER A 30 5.619 0.067 3.210 1.00 0.00 H new ATOM 0 HB2 SER A 30 6.086 2.415 4.281 1.00 0.00 H new ATOM 0 HB3 SER A 30 4.369 2.708 4.086 1.00 0.00 H new ATOM 0 HG SER A 30 4.869 1.755 6.155 1.00 0.00 H new ATOM 458 N CYS A 31 3.321 -0.596 2.557 1.00 0.00 N ATOM 459 CA CYS A 31 1.922 -0.985 2.238 1.00 0.00 C ATOM 460 C CYS A 31 1.014 -0.583 3.395 1.00 0.00 C ATOM 461 O CYS A 31 1.413 -0.613 4.542 1.00 0.00 O ATOM 462 CB CYS A 31 1.842 -2.497 2.015 1.00 0.00 C ATOM 463 SG CYS A 31 2.722 -2.957 0.501 1.00 0.00 S ATOM 0 H CYS A 31 3.963 -1.373 2.711 1.00 0.00 H new ATOM 0 HA CYS A 31 1.600 -0.477 1.329 1.00 0.00 H new ATOM 0 HB2 CYS A 31 2.274 -3.020 2.868 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.799 -2.806 1.946 1.00 0.00 H new ATOM 468 N GLU A 32 -0.201 -0.183 3.114 1.00 0.00 N ATOM 469 CA GLU A 32 -1.109 0.242 4.216 1.00 0.00 C ATOM 470 C GLU A 32 -2.560 -0.104 3.926 1.00 0.00 C ATOM 471 O GLU A 32 -3.217 0.543 3.133 1.00 0.00 O ATOM 472 CB GLU A 32 -1.017 1.759 4.388 1.00 0.00 C ATOM 473 CG GLU A 32 0.345 2.114 4.942 1.00 0.00 C ATOM 474 CD GLU A 32 0.466 3.632 5.089 1.00 0.00 C ATOM 475 OE1 GLU A 32 -0.484 4.317 4.752 1.00 0.00 O ATOM 476 OE2 GLU A 32 1.509 4.084 5.536 1.00 0.00 O ATOM 0 H GLU A 32 -0.599 -0.133 2.176 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.795 -0.285 5.117 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.174 2.256 3.431 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.799 2.109 5.061 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.491 1.633 5.909 1.00 0.00 H new ATOM 0 HG3 GLU A 32 1.126 1.740 4.279 1.00 0.00 H new ATOM 483 N ARG A 33 -3.097 -1.079 4.600 1.00 0.00 N ATOM 484 CA ARG A 33 -4.537 -1.366 4.402 1.00 0.00 C ATOM 485 C ARG A 33 -5.307 -0.333 5.220 1.00 0.00 C ATOM 486 O ARG A 33 -5.016 -0.128 6.381 1.00 0.00 O ATOM 487 CB ARG A 33 -4.927 -2.773 4.884 1.00 0.00 C ATOM 488 CG ARG A 33 -5.812 -3.468 3.835 1.00 0.00 C ATOM 489 CD ARG A 33 -6.927 -2.513 3.377 1.00 0.00 C ATOM 490 NE ARG A 33 -7.876 -3.228 2.472 1.00 0.00 N ATOM 491 CZ ARG A 33 -8.376 -2.619 1.421 1.00 0.00 C ATOM 492 NH1 ARG A 33 -8.012 -1.398 1.126 1.00 0.00 N ATOM 493 NH2 ARG A 33 -9.234 -3.239 0.656 1.00 0.00 N ATOM 0 H ARG A 33 -2.610 -1.678 5.267 1.00 0.00 H new ATOM 0 HA ARG A 33 -4.768 -1.318 3.338 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -4.030 -3.365 5.063 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -5.460 -2.706 5.833 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -5.208 -3.772 2.980 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -6.247 -4.374 4.256 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -7.462 -2.124 4.243 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -6.494 -1.657 2.859 1.00 0.00 H new ATOM 0 HE ARG A 33 -8.137 -4.194 2.671 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -7.335 -0.912 1.714 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -8.405 -0.932 0.308 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -9.515 -4.195 0.875 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -9.623 -2.767 -0.160 1.00 0.00 H new ATOM 507 N LYS A 34 -6.289 0.304 4.661 1.00 0.00 N ATOM 508 CA LYS A 34 -7.053 1.286 5.452 1.00 0.00 C ATOM 509 C LYS A 34 -8.467 0.736 5.673 1.00 0.00 C ATOM 510 O LYS A 34 -9.395 1.453 5.987 1.00 0.00 O ATOM 511 CB LYS A 34 -7.064 2.632 4.731 1.00 0.00 C ATOM 512 CG LYS A 34 -5.610 3.085 4.480 1.00 0.00 C ATOM 513 CD LYS A 34 -5.577 4.604 4.292 1.00 0.00 C ATOM 514 CE LYS A 34 -6.542 5.002 3.178 1.00 0.00 C ATOM 515 NZ LYS A 34 -6.318 6.430 2.820 1.00 0.00 N ATOM 0 H LYS A 34 -6.592 0.186 3.694 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.590 1.447 6.425 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -7.600 2.547 3.785 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.591 3.375 5.330 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.978 2.797 5.320 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.210 2.589 3.595 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.853 5.102 5.221 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -4.566 4.928 4.045 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.389 4.368 2.305 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.572 4.854 3.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.974 6.705 2.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.485 7.027 3.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.339 6.557 2.494 1.00 0.00 H new