USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 527 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 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 20 GLN :FLIP amide:sc= -0.216 F(o=-0.92,f=-0.22) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -161:sc= -0.22 (180deg=-0.745) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -0.0255 X(o=-0.025,f=-0.22) USER MOD Single : A 13 LYS NZ :NH3+ 169:sc= -0.016 (180deg=-0.189) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -4.08 X(o=-4.1,f=-4.6!) USER MOD Single : A 29 HIS : no HD1:sc= -0.531 K(o=-0.53,f=-1.3) USER MOD Single : A 31 THR OG1 : rot -90:sc= 0.0675 USER MOD Single : A 40 THR OG1 : rot -36:sc= -0.0311 USER MOD Single : A 42 ASN : amide:sc= -0.103 X(o=-0.1,f=0) USER MOD Single : A 46 HIS : no HD1:sc= -0.653 K(o=-0.65,f=-1.4) USER MOD Single : A 58 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0293) USER MOD Single : A 61 GLN : amide:sc= -4.04 K(o=-4,f=-12!) USER MOD Single : A 63 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00175) USER MOD Single : A 64 LYS NZ :NH3+ -161:sc= 0.953 (180deg=0.369) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.295 1.691 -1.129 1.00 62.22 N ATOM 2 CA MET A 1 1.926 0.397 -1.361 1.00 62.32 C ATOM 3 C MET A 1 1.180 -0.387 -2.437 1.00 1.25 C ATOM 4 O MET A 1 0.628 -1.455 -2.171 1.00 13.44 O ATOM 5 CB MET A 1 1.972 -0.412 -0.064 1.00 21.34 C ATOM 6 CG MET A 1 3.087 -1.445 -0.031 1.00 33.43 C ATOM 7 SD MET A 1 2.689 -2.863 1.010 1.00 70.33 S ATOM 8 CE MET A 1 2.809 -2.131 2.640 1.00 71.30 C ATOM 0 H1 MET A 1 1.969 2.326 -0.655 1.00 62.22 H new ATOM 0 H2 MET A 1 1.010 2.106 -2.039 1.00 62.22 H new ATOM 0 H3 MET A 1 0.456 1.565 -0.528 1.00 62.22 H new ATOM 0 HA MET A 1 2.945 0.574 -1.706 1.00 62.32 H new ATOM 0 HB2 MET A 1 2.096 0.271 0.776 1.00 21.34 H new ATOM 0 HB3 MET A 1 1.016 -0.917 0.074 1.00 21.34 H new ATOM 0 HG2 MET A 1 3.289 -1.789 -1.045 1.00 33.43 H new ATOM 0 HG3 MET A 1 4.001 -0.976 0.334 1.00 33.43 H new ATOM 0 HE1 MET A 1 2.589 -2.886 3.395 1.00 71.30 H new ATOM 0 HE2 MET A 1 3.818 -1.747 2.793 1.00 71.30 H new ATOM 0 HE3 MET A 1 2.093 -1.313 2.725 1.00 71.30 H new ATOM 18 N LYS A 2 1.167 0.150 -3.652 1.00 3.01 N ATOM 19 CA LYS A 2 0.490 -0.499 -4.768 1.00 41.33 C ATOM 20 C LYS A 2 1.406 -0.584 -5.985 1.00 51.41 C ATOM 21 O LYS A 2 2.308 0.237 -6.155 1.00 53.30 O ATOM 22 CB LYS A 2 -0.787 0.264 -5.130 1.00 24.22 C ATOM 23 CG LYS A 2 -1.833 0.255 -4.029 1.00 22.13 C ATOM 24 CD LYS A 2 -2.260 -1.160 -3.676 1.00 64.35 C ATOM 25 CE LYS A 2 -3.555 -1.170 -2.879 1.00 41.34 C ATOM 26 NZ LYS A 2 -4.750 -1.263 -3.763 1.00 64.15 N ATOM 0 H LYS A 2 1.618 1.034 -3.889 1.00 3.01 H new ATOM 0 HA LYS A 2 0.227 -1.511 -4.462 1.00 41.33 H new ATOM 0 HB2 LYS A 2 -0.529 1.296 -5.366 1.00 24.22 H new ATOM 0 HB3 LYS A 2 -1.217 -0.171 -6.032 1.00 24.22 H new ATOM 0 HG2 LYS A 2 -1.433 0.747 -3.142 1.00 22.13 H new ATOM 0 HG3 LYS A 2 -2.703 0.830 -4.348 1.00 22.13 H new ATOM 0 HD2 LYS A 2 -2.389 -1.740 -4.589 1.00 64.35 H new ATOM 0 HD3 LYS A 2 -1.473 -1.645 -3.099 1.00 64.35 H new ATOM 0 HE2 LYS A 2 -3.549 -2.012 -2.187 1.00 41.34 H new ATOM 0 HE3 LYS A 2 -3.618 -0.263 -2.277 1.00 41.34 H new ATOM 0 HZ1 LYS A 2 -5.612 -1.267 -3.182 1.00 64.15 H new ATOM 0 HZ2 LYS A 2 -4.770 -0.446 -4.407 1.00 64.15 H new ATOM 0 HZ3 LYS A 2 -4.703 -2.141 -4.319 1.00 64.15 H new ATOM 40 N LYS A 3 1.168 -1.581 -6.831 1.00 0.44 N ATOM 41 CA LYS A 3 1.969 -1.772 -8.034 1.00 1.22 C ATOM 42 C LYS A 3 1.081 -1.851 -9.272 1.00 23.24 C ATOM 43 O LYS A 3 0.067 -2.548 -9.276 1.00 43.34 O ATOM 44 CB LYS A 3 2.811 -3.044 -7.914 1.00 73.42 C ATOM 45 CG LYS A 3 3.568 -3.152 -6.602 1.00 10.31 C ATOM 46 CD LYS A 3 4.862 -3.931 -6.767 1.00 33.41 C ATOM 47 CE LYS A 3 4.618 -5.432 -6.721 1.00 11.03 C ATOM 48 NZ LYS A 3 5.754 -6.160 -6.091 1.00 45.51 N ATOM 0 H LYS A 3 0.426 -2.270 -6.705 1.00 0.44 H new ATOM 0 HA LYS A 3 2.632 -0.914 -8.139 1.00 1.22 H new ATOM 0 HB2 LYS A 3 2.160 -3.912 -8.020 1.00 73.42 H new ATOM 0 HB3 LYS A 3 3.523 -3.077 -8.738 1.00 73.42 H new ATOM 0 HG2 LYS A 3 3.789 -2.153 -6.225 1.00 10.31 H new ATOM 0 HG3 LYS A 3 2.940 -3.642 -5.858 1.00 10.31 H new ATOM 0 HD2 LYS A 3 5.329 -3.666 -7.715 1.00 33.41 H new ATOM 0 HD3 LYS A 3 5.560 -3.650 -5.978 1.00 33.41 H new ATOM 0 HE2 LYS A 3 3.703 -5.634 -6.164 1.00 11.03 H new ATOM 0 HE3 LYS A 3 4.464 -5.806 -7.733 1.00 11.03 H new ATOM 0 HZ1 LYS A 3 5.549 -7.180 -6.079 1.00 45.51 H new ATOM 0 HZ2 LYS A 3 6.622 -5.988 -6.637 1.00 45.51 H new ATOM 0 HZ3 LYS A 3 5.885 -5.822 -5.116 1.00 45.51 H new ATOM 62 N GLY A 4 1.471 -1.134 -10.321 1.00 51.50 N ATOM 63 CA GLY A 4 0.700 -1.138 -11.550 1.00 73.24 C ATOM 64 C GLY A 4 1.425 -0.455 -12.693 1.00 24.24 C ATOM 65 O GLY A 4 2.475 0.158 -12.494 1.00 53.10 O ATOM 0 H GLY A 4 2.307 -0.550 -10.342 1.00 51.50 H new ATOM 0 HA2 GLY A 4 0.475 -2.167 -11.830 1.00 73.24 H new ATOM 0 HA3 GLY A 4 -0.253 -0.638 -11.379 1.00 73.24 H new ATOM 69 N THR A 5 0.867 -0.562 -13.894 1.00 40.34 N ATOM 70 CA THR A 5 1.469 0.048 -15.073 1.00 71.15 C ATOM 71 C THR A 5 1.039 1.503 -15.220 1.00 4.21 C ATOM 72 O THR A 5 -0.104 1.856 -14.930 1.00 61.21 O ATOM 73 CB THR A 5 1.093 -0.718 -16.356 1.00 13.01 C ATOM 74 OG1 THR A 5 -0.332 -0.810 -16.471 1.00 64.53 O ATOM 75 CG2 THR A 5 1.698 -2.114 -16.350 1.00 12.32 C ATOM 0 H THR A 5 -0.001 -1.065 -14.076 1.00 40.34 H new ATOM 0 HA THR A 5 2.549 0.003 -14.935 1.00 71.15 H new ATOM 0 HB THR A 5 1.492 -0.171 -17.210 1.00 13.01 H new ATOM 0 HG1 THR A 5 -0.563 -1.297 -17.290 1.00 64.53 H new ATOM 0 HG21 THR A 5 1.419 -2.635 -17.266 1.00 12.32 H new ATOM 0 HG22 THR A 5 2.784 -2.040 -16.291 1.00 12.32 H new ATOM 0 HG23 THR A 5 1.325 -2.668 -15.489 1.00 12.32 H new ATOM 83 N VAL A 6 1.963 2.345 -15.672 1.00 41.43 N ATOM 84 CA VAL A 6 1.679 3.763 -15.859 1.00 41.21 C ATOM 85 C VAL A 6 0.926 4.006 -17.162 1.00 71.22 C ATOM 86 O VAL A 6 1.165 3.333 -18.165 1.00 40.02 O ATOM 87 CB VAL A 6 2.973 4.599 -15.863 1.00 71.15 C ATOM 88 CG1 VAL A 6 3.480 4.790 -17.285 1.00 4.14 C ATOM 89 CG2 VAL A 6 2.742 5.941 -15.186 1.00 11.21 C ATOM 0 H VAL A 6 2.915 2.070 -15.915 1.00 41.43 H new ATOM 0 HA VAL A 6 1.057 4.074 -15.020 1.00 41.21 H new ATOM 0 HB VAL A 6 3.735 4.061 -15.300 1.00 71.15 H new ATOM 0 HG11 VAL A 6 4.395 5.383 -17.269 1.00 4.14 H new ATOM 0 HG12 VAL A 6 3.686 3.817 -17.732 1.00 4.14 H new ATOM 0 HG13 VAL A 6 2.723 5.307 -17.875 1.00 4.14 H new ATOM 0 HG21 VAL A 6 3.666 6.518 -15.198 1.00 11.21 H new ATOM 0 HG22 VAL A 6 1.965 6.489 -15.720 1.00 11.21 H new ATOM 0 HG23 VAL A 6 2.429 5.779 -14.155 1.00 11.21 H new ATOM 99 N LYS A 7 0.014 4.972 -17.141 1.00 43.21 N ATOM 100 CA LYS A 7 -0.774 5.307 -18.321 1.00 33.30 C ATOM 101 C LYS A 7 -0.183 6.511 -19.047 1.00 33.10 C ATOM 102 O LYS A 7 -0.276 6.617 -20.270 1.00 15.11 O ATOM 103 CB LYS A 7 -2.224 5.597 -17.925 1.00 42.24 C ATOM 104 CG LYS A 7 -3.240 5.129 -18.953 1.00 11.34 C ATOM 105 CD LYS A 7 -3.403 6.140 -20.076 1.00 34.52 C ATOM 106 CE LYS A 7 -3.488 5.456 -21.432 1.00 50.21 C ATOM 107 NZ LYS A 7 -4.894 5.138 -21.806 1.00 41.42 N ATOM 0 H LYS A 7 -0.198 5.537 -16.319 1.00 43.21 H new ATOM 0 HA LYS A 7 -0.752 4.452 -18.997 1.00 33.30 H new ATOM 0 HB2 LYS A 7 -2.435 5.113 -16.971 1.00 42.24 H new ATOM 0 HB3 LYS A 7 -2.342 6.670 -17.771 1.00 42.24 H new ATOM 0 HG2 LYS A 7 -2.925 4.171 -19.367 1.00 11.34 H new ATOM 0 HG3 LYS A 7 -4.202 4.965 -18.467 1.00 11.34 H new ATOM 0 HD2 LYS A 7 -4.304 6.731 -19.908 1.00 34.52 H new ATOM 0 HD3 LYS A 7 -2.562 6.833 -20.069 1.00 34.52 H new ATOM 0 HE2 LYS A 7 -3.047 6.101 -22.192 1.00 50.21 H new ATOM 0 HE3 LYS A 7 -2.901 4.538 -21.413 1.00 50.21 H new ATOM 0 HZ1 LYS A 7 -4.909 4.673 -22.736 1.00 41.42 H new ATOM 0 HZ2 LYS A 7 -5.307 4.502 -21.094 1.00 41.42 H new ATOM 0 HZ3 LYS A 7 -5.449 6.017 -21.849 1.00 41.42 H new ATOM 121 N TRP A 8 0.425 7.414 -18.287 1.00 22.13 N ATOM 122 CA TRP A 8 1.033 8.610 -18.859 1.00 12.01 C ATOM 123 C TRP A 8 1.772 9.409 -17.791 1.00 64.24 C ATOM 124 O TRP A 8 1.287 9.563 -16.670 1.00 44.04 O ATOM 125 CB TRP A 8 -0.035 9.484 -19.519 1.00 32.22 C ATOM 126 CG TRP A 8 -0.756 10.373 -18.551 1.00 42.34 C ATOM 127 CD1 TRP A 8 -0.304 11.552 -18.029 1.00 34.41 C ATOM 128 CD2 TRP A 8 -2.055 10.155 -17.990 1.00 25.50 C ATOM 129 NE1 TRP A 8 -1.244 12.079 -17.176 1.00 75.54 N ATOM 130 CE2 TRP A 8 -2.328 11.241 -17.136 1.00 24.11 C ATOM 131 CE3 TRP A 8 -3.014 9.148 -18.127 1.00 52.01 C ATOM 132 CZ2 TRP A 8 -3.519 11.346 -16.423 1.00 60.11 C ATOM 133 CZ3 TRP A 8 -4.196 9.254 -17.419 1.00 20.53 C ATOM 134 CH2 TRP A 8 -4.441 10.346 -16.576 1.00 44.11 C ATOM 0 H TRP A 8 0.510 7.341 -17.273 1.00 22.13 H new ATOM 0 HA TRP A 8 1.753 8.295 -19.614 1.00 12.01 H new ATOM 0 HB2 TRP A 8 0.433 10.099 -20.287 1.00 32.22 H new ATOM 0 HB3 TRP A 8 -0.759 8.843 -20.022 1.00 32.22 H new ATOM 0 HD1 TRP A 8 0.651 12.003 -18.254 1.00 34.41 H new ATOM 0 HE1 TRP A 8 -1.150 12.952 -16.657 1.00 75.54 H new ATOM 0 HE3 TRP A 8 -2.835 8.302 -18.774 1.00 52.01 H new ATOM 0 HZ2 TRP A 8 -3.709 12.187 -15.772 1.00 60.11 H new ATOM 0 HZ3 TRP A 8 -4.944 8.481 -17.517 1.00 20.53 H new ATOM 0 HH2 TRP A 8 -5.375 10.400 -16.037 1.00 44.11 H new ATOM 145 N PHE A 9 2.949 9.915 -18.146 1.00 53.12 N ATOM 146 CA PHE A 9 3.756 10.698 -17.217 1.00 74.14 C ATOM 147 C PHE A 9 4.366 11.910 -17.915 1.00 53.11 C ATOM 148 O PHE A 9 5.381 11.799 -18.601 1.00 30.12 O ATOM 149 CB PHE A 9 4.863 9.831 -16.615 1.00 62.01 C ATOM 150 CG PHE A 9 5.879 10.614 -15.833 1.00 71.11 C ATOM 151 CD1 PHE A 9 5.626 10.987 -14.523 1.00 1.40 C ATOM 152 CD2 PHE A 9 7.086 10.976 -16.408 1.00 25.31 C ATOM 153 CE1 PHE A 9 6.559 11.709 -13.802 1.00 33.54 C ATOM 154 CE2 PHE A 9 8.023 11.697 -15.691 1.00 62.52 C ATOM 155 CZ PHE A 9 7.759 12.062 -14.386 1.00 2.41 C ATOM 0 H PHE A 9 3.365 9.797 -19.070 1.00 53.12 H new ATOM 0 HA PHE A 9 3.105 11.051 -16.417 1.00 74.14 H new ATOM 0 HB2 PHE A 9 4.413 9.082 -15.963 1.00 62.01 H new ATOM 0 HB3 PHE A 9 5.369 9.293 -17.417 1.00 62.01 H new ATOM 0 HD1 PHE A 9 4.690 10.711 -14.060 1.00 1.40 H new ATOM 0 HD2 PHE A 9 7.298 10.692 -17.428 1.00 25.31 H new ATOM 0 HE1 PHE A 9 6.349 11.997 -12.782 1.00 33.54 H new ATOM 0 HE2 PHE A 9 8.960 11.974 -16.151 1.00 62.52 H new ATOM 0 HZ PHE A 9 8.490 12.623 -13.823 1.00 2.41 H new ATOM 165 N ASN A 10 3.738 13.067 -17.735 1.00 14.43 N ATOM 166 CA ASN A 10 4.217 14.301 -18.347 1.00 61.14 C ATOM 167 C ASN A 10 5.480 14.799 -17.651 1.00 14.44 C ATOM 168 O ASN A 10 5.455 15.140 -16.468 1.00 71.33 O ATOM 169 CB ASN A 10 3.132 15.378 -18.292 1.00 73.22 C ATOM 170 CG ASN A 10 2.485 15.617 -19.643 1.00 31.50 C ATOM 171 OD1 ASN A 10 2.294 14.686 -20.426 1.00 23.54 O ATOM 172 ND2 ASN A 10 2.144 16.869 -19.922 1.00 42.25 N ATOM 0 H ASN A 10 2.896 13.176 -17.170 1.00 14.43 H new ATOM 0 HA ASN A 10 4.457 14.090 -19.389 1.00 61.14 H new ATOM 0 HB2 ASN A 10 2.367 15.083 -17.573 1.00 73.22 H new ATOM 0 HB3 ASN A 10 3.567 16.310 -17.931 1.00 73.22 H new ATOM 0 HD21 ASN A 10 1.705 17.091 -20.815 1.00 42.25 H new ATOM 0 HD22 ASN A 10 2.321 17.609 -19.243 1.00 42.25 H new ATOM 179 N ALA A 11 6.582 14.840 -18.392 1.00 75.24 N ATOM 180 CA ALA A 11 7.853 15.299 -17.847 1.00 70.02 C ATOM 181 C ALA A 11 7.995 16.811 -17.984 1.00 13.24 C ATOM 182 O ALA A 11 8.787 17.435 -17.278 1.00 71.03 O ATOM 183 CB ALA A 11 9.010 14.594 -18.540 1.00 73.00 C ATOM 0 H ALA A 11 6.620 14.561 -19.372 1.00 75.24 H new ATOM 0 HA ALA A 11 7.875 15.053 -16.785 1.00 70.02 H new ATOM 0 HB1 ALA A 11 9.953 14.947 -18.123 1.00 73.00 H new ATOM 0 HB2 ALA A 11 8.925 13.518 -18.387 1.00 73.00 H new ATOM 0 HB3 ALA A 11 8.982 14.812 -19.608 1.00 73.00 H new ATOM 189 N GLU A 12 7.222 17.394 -18.895 1.00 63.44 N ATOM 190 CA GLU A 12 7.264 18.833 -19.124 1.00 42.11 C ATOM 191 C GLU A 12 6.856 19.596 -17.867 1.00 23.10 C ATOM 192 O GLU A 12 7.593 20.455 -17.381 1.00 72.42 O ATOM 193 CB GLU A 12 6.344 19.214 -20.286 1.00 45.31 C ATOM 194 CG GLU A 12 7.016 19.130 -21.647 1.00 32.04 C ATOM 195 CD GLU A 12 6.050 18.747 -22.751 1.00 51.20 C ATOM 196 OE1 GLU A 12 5.251 17.810 -22.541 1.00 51.52 O ATOM 197 OE2 GLU A 12 6.093 19.384 -23.825 1.00 32.55 O ATOM 0 H GLU A 12 6.560 16.892 -19.486 1.00 63.44 H new ATOM 0 HA GLU A 12 8.289 19.105 -19.377 1.00 42.11 H new ATOM 0 HB2 GLU A 12 5.473 18.558 -20.279 1.00 45.31 H new ATOM 0 HB3 GLU A 12 5.980 20.230 -20.132 1.00 45.31 H new ATOM 0 HG2 GLU A 12 7.470 20.092 -21.884 1.00 32.04 H new ATOM 0 HG3 GLU A 12 7.823 18.398 -21.605 1.00 32.04 H new ATOM 204 N LYS A 13 5.677 19.276 -17.345 1.00 10.51 N ATOM 205 CA LYS A 13 5.169 19.929 -16.144 1.00 41.52 C ATOM 206 C LYS A 13 5.719 19.262 -14.888 1.00 21.12 C ATOM 207 O LYS A 13 5.989 19.926 -13.888 1.00 32.22 O ATOM 208 CB LYS A 13 3.639 19.892 -16.127 1.00 23.24 C ATOM 209 CG LYS A 13 2.997 20.745 -17.207 1.00 4.45 C ATOM 210 CD LYS A 13 1.485 20.602 -17.205 1.00 73.21 C ATOM 211 CE LYS A 13 0.886 21.028 -15.874 1.00 15.52 C ATOM 212 NZ LYS A 13 1.170 22.458 -15.571 1.00 14.54 N ATOM 0 H LYS A 13 5.055 18.568 -17.735 1.00 10.51 H new ATOM 0 HA LYS A 13 5.501 20.967 -16.157 1.00 41.52 H new ATOM 0 HB2 LYS A 13 3.308 18.860 -16.246 1.00 23.24 H new ATOM 0 HB3 LYS A 13 3.287 20.229 -15.152 1.00 23.24 H new ATOM 0 HG2 LYS A 13 3.265 21.790 -17.053 1.00 4.45 H new ATOM 0 HG3 LYS A 13 3.389 20.455 -18.182 1.00 4.45 H new ATOM 0 HD2 LYS A 13 1.060 21.207 -18.006 1.00 73.21 H new ATOM 0 HD3 LYS A 13 1.216 19.566 -17.411 1.00 73.21 H new ATOM 0 HE2 LYS A 13 -0.192 20.868 -15.893 1.00 15.52 H new ATOM 0 HE3 LYS A 13 1.287 20.401 -15.078 1.00 15.52 H new ATOM 0 HZ1 LYS A 13 0.596 22.761 -14.758 1.00 14.54 H new ATOM 0 HZ2 LYS A 13 2.179 22.571 -15.344 1.00 14.54 H new ATOM 0 HZ3 LYS A 13 0.934 23.042 -16.399 1.00 14.54 H new ATOM 226 N GLY A 14 5.884 17.944 -14.947 1.00 63.21 N ATOM 227 CA GLY A 14 6.403 17.209 -13.808 1.00 53.21 C ATOM 228 C GLY A 14 5.313 16.492 -13.036 1.00 0.43 C ATOM 229 O GLY A 14 5.338 16.453 -11.805 1.00 70.34 O ATOM 0 H GLY A 14 5.668 17.372 -15.763 1.00 63.21 H new ATOM 0 HA2 GLY A 14 7.138 16.482 -14.153 1.00 53.21 H new ATOM 0 HA3 GLY A 14 6.923 17.897 -13.142 1.00 53.21 H new ATOM 233 N TYR A 15 4.353 15.926 -13.758 1.00 60.12 N ATOM 234 CA TYR A 15 3.247 15.211 -13.133 1.00 31.31 C ATOM 235 C TYR A 15 2.837 14.003 -13.970 1.00 21.45 C ATOM 236 O TYR A 15 3.191 13.897 -15.143 1.00 30.30 O ATOM 237 CB TYR A 15 2.050 16.144 -12.944 1.00 40.34 C ATOM 238 CG TYR A 15 1.260 16.380 -14.212 1.00 62.31 C ATOM 239 CD1 TYR A 15 1.867 16.914 -15.342 1.00 54.13 C ATOM 240 CD2 TYR A 15 -0.092 16.069 -14.279 1.00 72.14 C ATOM 241 CE1 TYR A 15 1.149 17.132 -16.503 1.00 31.34 C ATOM 242 CE2 TYR A 15 -0.817 16.282 -15.436 1.00 33.42 C ATOM 243 CZ TYR A 15 -0.192 16.813 -16.545 1.00 15.45 C ATOM 244 OH TYR A 15 -0.912 17.028 -17.698 1.00 4.21 O ATOM 0 H TYR A 15 4.318 15.948 -14.777 1.00 60.12 H new ATOM 0 HA TYR A 15 3.581 14.858 -12.157 1.00 31.31 H new ATOM 0 HB2 TYR A 15 1.388 15.724 -12.187 1.00 40.34 H new ATOM 0 HB3 TYR A 15 2.403 17.102 -12.562 1.00 40.34 H new ATOM 0 HD1 TYR A 15 2.918 17.163 -15.313 1.00 54.13 H new ATOM 0 HD2 TYR A 15 -0.585 15.654 -13.412 1.00 72.14 H new ATOM 0 HE1 TYR A 15 1.635 17.550 -17.372 1.00 31.34 H new ATOM 0 HE2 TYR A 15 -1.868 16.034 -15.472 1.00 33.42 H new ATOM 0 HH TYR A 15 -1.841 16.749 -17.560 1.00 4.21 H new ATOM 254 N GLY A 16 2.087 13.093 -13.355 1.00 72.44 N ATOM 255 CA GLY A 16 1.640 11.904 -14.057 1.00 74.32 C ATOM 256 C GLY A 16 0.607 11.120 -13.271 1.00 5.00 C ATOM 257 O GLY A 16 0.290 11.466 -12.133 1.00 32.42 O ATOM 0 H GLY A 16 1.781 13.158 -12.384 1.00 72.44 H new ATOM 0 HA2 GLY A 16 1.218 12.192 -15.020 1.00 74.32 H new ATOM 0 HA3 GLY A 16 2.498 11.264 -14.263 1.00 74.32 H new ATOM 261 N PHE A 17 0.081 10.062 -13.879 1.00 12.30 N ATOM 262 CA PHE A 17 -0.924 9.229 -13.229 1.00 70.33 C ATOM 263 C PHE A 17 -0.707 7.756 -13.563 1.00 72.40 C ATOM 264 O PHE A 17 -0.593 7.383 -14.731 1.00 41.42 O ATOM 265 CB PHE A 17 -2.329 9.659 -13.657 1.00 64.15 C ATOM 266 CG PHE A 17 -2.757 10.975 -13.073 1.00 62.41 C ATOM 267 CD1 PHE A 17 -2.280 12.167 -13.593 1.00 61.24 C ATOM 268 CD2 PHE A 17 -3.636 11.019 -12.003 1.00 1.00 C ATOM 269 CE1 PHE A 17 -2.672 13.379 -13.058 1.00 52.43 C ATOM 270 CE2 PHE A 17 -4.032 12.228 -11.464 1.00 51.40 C ATOM 271 CZ PHE A 17 -3.549 13.410 -11.991 1.00 63.04 C ATOM 0 H PHE A 17 0.334 9.761 -14.820 1.00 12.30 H new ATOM 0 HA PHE A 17 -0.825 9.358 -12.151 1.00 70.33 H new ATOM 0 HB2 PHE A 17 -2.365 9.724 -14.744 1.00 64.15 H new ATOM 0 HB3 PHE A 17 -3.042 8.890 -13.360 1.00 64.15 H new ATOM 0 HD1 PHE A 17 -1.594 12.149 -14.427 1.00 61.24 H new ATOM 0 HD2 PHE A 17 -4.016 10.098 -11.586 1.00 1.00 H new ATOM 0 HE1 PHE A 17 -2.293 14.301 -13.473 1.00 52.43 H new ATOM 0 HE2 PHE A 17 -4.719 12.249 -10.631 1.00 51.40 H new ATOM 0 HZ PHE A 17 -3.856 14.356 -11.570 1.00 63.04 H new ATOM 281 N ILE A 18 -0.651 6.923 -12.529 1.00 50.01 N ATOM 282 CA ILE A 18 -0.448 5.491 -12.712 1.00 54.20 C ATOM 283 C ILE A 18 -1.774 4.738 -12.668 1.00 2.44 C ATOM 284 O ILE A 18 -2.706 5.144 -11.974 1.00 42.30 O ATOM 285 CB ILE A 18 0.493 4.914 -11.639 1.00 1.25 C ATOM 286 CG1 ILE A 18 1.835 5.649 -11.657 1.00 51.43 C ATOM 287 CG2 ILE A 18 0.697 3.423 -11.859 1.00 60.22 C ATOM 288 CD1 ILE A 18 2.556 5.624 -10.328 1.00 3.10 C ATOM 0 H ILE A 18 -0.743 7.215 -11.556 1.00 50.01 H new ATOM 0 HA ILE A 18 0.009 5.360 -13.693 1.00 54.20 H new ATOM 0 HB ILE A 18 0.035 5.058 -10.661 1.00 1.25 H new ATOM 0 HG12 ILE A 18 2.475 5.201 -12.417 1.00 51.43 H new ATOM 0 HG13 ILE A 18 1.668 6.685 -11.951 1.00 51.43 H new ATOM 0 HG21 ILE A 18 1.365 3.030 -11.092 1.00 60.22 H new ATOM 0 HG22 ILE A 18 -0.264 2.912 -11.800 1.00 60.22 H new ATOM 0 HG23 ILE A 18 1.137 3.257 -12.843 1.00 60.22 H new ATOM 0 HD11 ILE A 18 3.499 6.164 -10.415 1.00 3.10 H new ATOM 0 HD12 ILE A 18 1.935 6.099 -9.568 1.00 3.10 H new ATOM 0 HD13 ILE A 18 2.754 4.591 -10.041 1.00 3.10 H new ATOM 300 N GLN A 19 -1.849 3.639 -13.411 1.00 1.21 N ATOM 301 CA GLN A 19 -3.060 2.829 -13.455 1.00 72.21 C ATOM 302 C GLN A 19 -2.776 1.400 -13.004 1.00 30.12 C ATOM 303 O GLN A 19 -2.003 0.682 -13.637 1.00 71.23 O ATOM 304 CB GLN A 19 -3.644 2.823 -14.869 1.00 40.00 C ATOM 305 CG GLN A 19 -4.616 3.963 -15.131 1.00 24.53 C ATOM 306 CD GLN A 19 -4.433 5.118 -14.166 1.00 74.13 C ATOM 307 OE1 GLN A 19 -5.044 5.152 -13.098 1.00 34.02 O ATOM 308 NE2 GLN A 19 -3.589 6.073 -14.539 1.00 33.12 N ATOM 0 H GLN A 19 -1.086 3.289 -13.990 1.00 1.21 H new ATOM 0 HA GLN A 19 -3.786 3.269 -12.771 1.00 72.21 H new ATOM 0 HB2 GLN A 19 -2.829 2.879 -15.590 1.00 40.00 H new ATOM 0 HB3 GLN A 19 -4.155 1.875 -15.038 1.00 40.00 H new ATOM 0 HG2 GLN A 19 -4.483 4.322 -16.151 1.00 24.53 H new ATOM 0 HG3 GLN A 19 -5.637 3.590 -15.056 1.00 24.53 H new ATOM 0 HE21 GLN A 19 -3.104 6.004 -15.433 1.00 33.12 H new ATOM 0 HE22 GLN A 19 -3.426 6.876 -13.931 1.00 33.12 H new ATOM 317 N GLN A 20 -3.406 0.995 -11.906 1.00 2.24 N ATOM 318 CA GLN A 20 -3.219 -0.348 -11.370 1.00 0.14 C ATOM 319 C GLN A 20 -4.132 -1.347 -12.073 1.00 14.53 C ATOM 320 O GLN A 20 -4.716 -1.042 -13.112 1.00 71.13 O ATOM 321 CB GLN A 20 -3.491 -0.362 -9.864 1.00 54.44 C ATOM 322 CG GLN A 20 -2.480 -1.172 -9.070 1.00 63.04 C ATOM 323 CD GLN A 20 -2.982 -1.539 -7.688 1.00 22.20 C ATOM 324 OE1 GLN A 20 -3.459 -0.545 -6.948 1.00 30.41 O flip ATOM 325 NE2 GLN A 20 -2.941 -2.703 -7.289 1.00 74.30 N flip ATOM 0 H GLN A 20 -4.050 1.577 -11.371 1.00 2.24 H new ATOM 0 HA GLN A 20 -2.184 -0.642 -11.548 1.00 0.14 H new ATOM 0 HB2 GLN A 20 -3.493 0.663 -9.494 1.00 54.44 H new ATOM 0 HB3 GLN A 20 -4.487 -0.767 -9.687 1.00 54.44 H new ATOM 0 HG2 GLN A 20 -2.239 -2.083 -9.618 1.00 63.04 H new ATOM 0 HG3 GLN A 20 -1.556 -0.602 -8.977 1.00 63.04 H new ATOM 0 HE21 GLN A 20 -2.566 -3.436 -7.891 1.00 74.30 H new ATOM 0 HE22 GLN A 20 -3.282 -2.935 -6.356 1.00 74.30 H new ATOM 334 N GLU A 21 -4.250 -2.539 -11.498 1.00 75.51 N ATOM 335 CA GLU A 21 -5.092 -3.583 -12.072 1.00 14.14 C ATOM 336 C GLU A 21 -6.466 -3.031 -12.444 1.00 5.25 C ATOM 337 O GLU A 21 -7.072 -3.459 -13.425 1.00 12.51 O ATOM 338 CB GLU A 21 -5.247 -4.743 -11.086 1.00 62.44 C ATOM 339 CG GLU A 21 -6.001 -4.371 -9.821 1.00 23.22 C ATOM 340 CD GLU A 21 -5.725 -5.326 -8.675 1.00 42.33 C ATOM 341 OE1 GLU A 21 -4.706 -5.136 -7.978 1.00 62.35 O ATOM 342 OE2 GLU A 21 -6.527 -6.262 -8.476 1.00 1.31 O ATOM 0 H GLU A 21 -3.774 -2.806 -10.636 1.00 75.51 H new ATOM 0 HA GLU A 21 -4.608 -3.947 -12.978 1.00 14.14 H new ATOM 0 HB2 GLU A 21 -5.768 -5.562 -11.581 1.00 62.44 H new ATOM 0 HB3 GLU A 21 -4.258 -5.112 -10.814 1.00 62.44 H new ATOM 0 HG2 GLU A 21 -5.724 -3.360 -9.521 1.00 23.22 H new ATOM 0 HG3 GLU A 21 -7.071 -4.360 -10.030 1.00 23.22 H new ATOM 349 N GLU A 22 -6.949 -2.079 -11.651 1.00 44.23 N ATOM 350 CA GLU A 22 -8.250 -1.470 -11.897 1.00 15.54 C ATOM 351 C GLU A 22 -8.094 -0.060 -12.461 1.00 60.40 C ATOM 352 O GLU A 22 -9.030 0.500 -13.029 1.00 14.23 O ATOM 353 CB GLU A 22 -9.069 -1.425 -10.605 1.00 32.33 C ATOM 354 CG GLU A 22 -9.158 -2.765 -9.894 1.00 72.53 C ATOM 355 CD GLU A 22 -10.385 -2.877 -9.010 1.00 51.23 C ATOM 356 OE1 GLU A 22 -10.734 -1.876 -8.349 1.00 64.42 O ATOM 357 OE2 GLU A 22 -10.997 -3.965 -8.980 1.00 70.21 O ATOM 0 H GLU A 22 -6.459 -1.714 -10.834 1.00 44.23 H new ATOM 0 HA GLU A 22 -8.775 -2.081 -12.632 1.00 15.54 H new ATOM 0 HB2 GLU A 22 -8.626 -0.693 -9.929 1.00 32.33 H new ATOM 0 HB3 GLU A 22 -10.076 -1.078 -10.835 1.00 32.33 H new ATOM 0 HG2 GLU A 22 -9.174 -3.564 -10.635 1.00 72.53 H new ATOM 0 HG3 GLU A 22 -8.264 -2.910 -9.288 1.00 72.53 H new ATOM 364 N GLY A 23 -6.902 0.507 -12.300 1.00 31.44 N ATOM 365 CA GLY A 23 -6.644 1.845 -12.797 1.00 50.22 C ATOM 366 C GLY A 23 -7.557 2.882 -12.173 1.00 24.14 C ATOM 367 O GLY A 23 -8.392 3.489 -12.843 1.00 34.33 O ATOM 0 H GLY A 23 -6.111 0.063 -11.834 1.00 31.44 H new ATOM 0 HA2 GLY A 23 -5.606 2.110 -12.595 1.00 50.22 H new ATOM 0 HA3 GLY A 23 -6.771 1.858 -13.879 1.00 50.22 H new ATOM 371 N PRO A 24 -7.402 3.096 -10.858 1.00 13.34 N ATOM 372 CA PRO A 24 -8.211 4.066 -10.113 1.00 54.14 C ATOM 373 C PRO A 24 -7.879 5.507 -10.487 1.00 23.42 C ATOM 374 O PRO A 24 -8.487 6.080 -11.391 1.00 30.13 O ATOM 375 CB PRO A 24 -7.840 3.792 -8.654 1.00 4.51 C ATOM 376 CG PRO A 24 -6.476 3.196 -8.716 1.00 3.21 C ATOM 377 CD PRO A 24 -6.426 2.409 -9.996 1.00 63.01 C ATOM 0 HA PRO A 24 -9.275 3.956 -10.324 1.00 54.14 H new ATOM 0 HB2 PRO A 24 -7.845 4.709 -8.065 1.00 4.51 H new ATOM 0 HB3 PRO A 24 -8.550 3.109 -8.186 1.00 4.51 H new ATOM 0 HG2 PRO A 24 -5.710 3.972 -8.705 1.00 3.21 H new ATOM 0 HG3 PRO A 24 -6.291 2.553 -7.855 1.00 3.21 H new ATOM 0 HD2 PRO A 24 -5.428 2.417 -10.434 1.00 63.01 H new ATOM 0 HD3 PRO A 24 -6.696 1.365 -9.836 1.00 63.01 H new ATOM 385 N ASP A 25 -6.910 6.086 -9.786 1.00 61.33 N ATOM 386 CA ASP A 25 -6.495 7.459 -10.046 1.00 11.54 C ATOM 387 C ASP A 25 -5.523 7.945 -8.975 1.00 21.10 C ATOM 388 O ASP A 25 -5.933 8.491 -7.951 1.00 0.03 O ATOM 389 CB ASP A 25 -7.714 8.381 -10.101 1.00 15.25 C ATOM 390 CG ASP A 25 -8.775 7.999 -9.087 1.00 74.33 C ATOM 391 OD1 ASP A 25 -8.587 8.298 -7.890 1.00 23.21 O ATOM 392 OD2 ASP A 25 -9.794 7.400 -9.492 1.00 30.42 O ATOM 0 H ASP A 25 -6.398 5.626 -9.034 1.00 61.33 H new ATOM 0 HA ASP A 25 -5.987 7.482 -11.010 1.00 11.54 H new ATOM 0 HB2 ASP A 25 -7.397 9.408 -9.922 1.00 15.25 H new ATOM 0 HB3 ASP A 25 -8.144 8.350 -11.102 1.00 15.25 H new ATOM 397 N VAL A 26 -4.232 7.741 -9.219 1.00 31.04 N ATOM 398 CA VAL A 26 -3.201 8.158 -8.276 1.00 30.32 C ATOM 399 C VAL A 26 -2.440 9.372 -8.795 1.00 43.12 C ATOM 400 O VAL A 26 -2.209 9.506 -9.997 1.00 54.51 O ATOM 401 CB VAL A 26 -2.201 7.019 -7.998 1.00 15.22 C ATOM 402 CG1 VAL A 26 -0.924 7.223 -8.797 1.00 43.34 C ATOM 403 CG2 VAL A 26 -1.900 6.927 -6.510 1.00 1.03 C ATOM 0 H VAL A 26 -3.876 7.290 -10.061 1.00 31.04 H new ATOM 0 HA VAL A 26 -3.709 8.421 -7.348 1.00 30.32 H new ATOM 0 HB VAL A 26 -2.651 6.078 -8.313 1.00 15.22 H new ATOM 0 HG11 VAL A 26 -0.230 6.409 -8.588 1.00 43.34 H new ATOM 0 HG12 VAL A 26 -1.159 7.235 -9.861 1.00 43.34 H new ATOM 0 HG13 VAL A 26 -0.466 8.171 -8.516 1.00 43.34 H new ATOM 0 HG21 VAL A 26 -1.192 6.118 -6.331 1.00 1.03 H new ATOM 0 HG22 VAL A 26 -1.469 7.868 -6.167 1.00 1.03 H new ATOM 0 HG23 VAL A 26 -2.822 6.730 -5.964 1.00 1.03 H new ATOM 413 N PHE A 27 -2.051 10.255 -7.881 1.00 64.13 N ATOM 414 CA PHE A 27 -1.315 11.460 -8.247 1.00 21.23 C ATOM 415 C PHE A 27 0.181 11.276 -8.011 1.00 24.12 C ATOM 416 O PHE A 27 0.618 11.026 -6.887 1.00 42.03 O ATOM 417 CB PHE A 27 -1.826 12.658 -7.444 1.00 42.00 C ATOM 418 CG PHE A 27 -1.487 13.983 -8.064 1.00 52.43 C ATOM 419 CD1 PHE A 27 -2.242 14.486 -9.112 1.00 1.01 C ATOM 420 CD2 PHE A 27 -0.414 14.726 -7.600 1.00 43.30 C ATOM 421 CE1 PHE A 27 -1.933 15.706 -9.685 1.00 32.53 C ATOM 422 CE2 PHE A 27 -0.101 15.947 -8.169 1.00 25.54 C ATOM 423 CZ PHE A 27 -0.860 16.436 -9.213 1.00 14.11 C ATOM 0 H PHE A 27 -2.233 10.159 -6.882 1.00 64.13 H new ATOM 0 HA PHE A 27 -1.477 11.647 -9.309 1.00 21.23 H new ATOM 0 HB2 PHE A 27 -2.908 12.581 -7.340 1.00 42.00 H new ATOM 0 HB3 PHE A 27 -1.406 12.618 -6.439 1.00 42.00 H new ATOM 0 HD1 PHE A 27 -3.081 13.918 -9.485 1.00 1.01 H new ATOM 0 HD2 PHE A 27 0.185 14.348 -6.785 1.00 43.30 H new ATOM 0 HE1 PHE A 27 -2.530 16.087 -10.500 1.00 32.53 H new ATOM 0 HE2 PHE A 27 0.737 16.518 -7.797 1.00 25.54 H new ATOM 0 HZ PHE A 27 -0.615 17.388 -9.660 1.00 14.11 H new ATOM 433 N VAL A 28 0.963 11.401 -9.079 1.00 54.01 N ATOM 434 CA VAL A 28 2.410 11.249 -8.990 1.00 11.53 C ATOM 435 C VAL A 28 3.127 12.412 -9.667 1.00 21.11 C ATOM 436 O VAL A 28 2.677 12.920 -10.694 1.00 74.44 O ATOM 437 CB VAL A 28 2.877 9.929 -9.631 1.00 13.11 C ATOM 438 CG1 VAL A 28 1.849 8.832 -9.402 1.00 72.50 C ATOM 439 CG2 VAL A 28 3.140 10.123 -11.117 1.00 22.34 C ATOM 0 H VAL A 28 0.618 11.607 -10.016 1.00 54.01 H new ATOM 0 HA VAL A 28 2.662 11.238 -7.930 1.00 11.53 H new ATOM 0 HB VAL A 28 3.810 9.624 -9.157 1.00 13.11 H new ATOM 0 HG11 VAL A 28 2.196 7.907 -9.862 1.00 72.50 H new ATOM 0 HG12 VAL A 28 1.715 8.677 -8.331 1.00 72.50 H new ATOM 0 HG13 VAL A 28 0.899 9.125 -9.848 1.00 72.50 H new ATOM 0 HG21 VAL A 28 3.469 9.180 -11.554 1.00 22.34 H new ATOM 0 HG22 VAL A 28 2.224 10.451 -11.609 1.00 22.34 H new ATOM 0 HG23 VAL A 28 3.915 10.877 -11.254 1.00 22.34 H new ATOM 449 N HIS A 29 4.247 12.829 -9.085 1.00 12.44 N ATOM 450 CA HIS A 29 5.028 13.932 -9.633 1.00 2.44 C ATOM 451 C HIS A 29 6.432 13.469 -10.009 1.00 4.24 C ATOM 452 O HIS A 29 6.935 12.481 -9.474 1.00 21.23 O ATOM 453 CB HIS A 29 5.110 15.078 -8.624 1.00 14.25 C ATOM 454 CG HIS A 29 4.093 16.154 -8.855 1.00 62.41 C ATOM 455 ND1 HIS A 29 4.199 17.418 -8.315 1.00 34.24 N ATOM 456 CD2 HIS A 29 2.947 16.149 -9.576 1.00 24.54 C ATOM 457 CE1 HIS A 29 3.161 18.143 -8.691 1.00 53.20 C ATOM 458 NE2 HIS A 29 2.386 17.396 -9.457 1.00 45.35 N ATOM 0 H HIS A 29 4.634 12.420 -8.234 1.00 12.44 H new ATOM 0 HA HIS A 29 4.527 14.286 -10.534 1.00 2.44 H new ATOM 0 HB2 HIS A 29 4.980 14.676 -7.619 1.00 14.25 H new ATOM 0 HB3 HIS A 29 6.107 15.517 -8.665 1.00 14.25 H new ATOM 0 HD2 HIS A 29 2.549 15.318 -10.140 1.00 24.54 H new ATOM 0 HE1 HIS A 29 2.977 19.172 -8.419 1.00 53.20 H new ATOM 0 HE2 HIS A 29 1.513 17.697 -9.890 1.00 45.35 H new ATOM 466 N PHE A 30 7.060 14.189 -10.932 1.00 41.25 N ATOM 467 CA PHE A 30 8.406 13.851 -11.381 1.00 73.05 C ATOM 468 C PHE A 30 9.370 13.777 -10.201 1.00 43.45 C ATOM 469 O PHE A 30 10.392 13.092 -10.261 1.00 1.31 O ATOM 470 CB PHE A 30 8.902 14.883 -12.397 1.00 32.43 C ATOM 471 CG PHE A 30 9.375 16.162 -11.769 1.00 10.34 C ATOM 472 CD1 PHE A 30 8.497 16.968 -11.062 1.00 3.33 C ATOM 473 CD2 PHE A 30 10.697 16.559 -11.885 1.00 24.13 C ATOM 474 CE1 PHE A 30 8.930 18.147 -10.483 1.00 70.35 C ATOM 475 CE2 PHE A 30 11.136 17.736 -11.308 1.00 41.12 C ATOM 476 CZ PHE A 30 10.251 18.530 -10.606 1.00 2.52 C ATOM 0 H PHE A 30 6.659 15.011 -11.384 1.00 41.25 H new ATOM 0 HA PHE A 30 8.368 12.872 -11.858 1.00 73.05 H new ATOM 0 HB2 PHE A 30 9.717 14.449 -12.976 1.00 32.43 H new ATOM 0 HB3 PHE A 30 8.098 15.107 -13.098 1.00 32.43 H new ATOM 0 HD1 PHE A 30 7.463 16.672 -10.962 1.00 3.33 H new ATOM 0 HD2 PHE A 30 11.393 15.941 -12.433 1.00 24.13 H new ATOM 0 HE1 PHE A 30 8.236 18.767 -9.935 1.00 70.35 H new ATOM 0 HE2 PHE A 30 12.169 18.034 -11.406 1.00 41.12 H new ATOM 0 HZ PHE A 30 10.592 19.450 -10.154 1.00 2.52 H new ATOM 486 N THR A 31 9.039 14.489 -9.128 1.00 71.15 N ATOM 487 CA THR A 31 9.875 14.507 -7.935 1.00 21.40 C ATOM 488 C THR A 31 9.409 13.468 -6.922 1.00 20.44 C ATOM 489 O THR A 31 9.680 13.586 -5.727 1.00 44.42 O ATOM 490 CB THR A 31 9.873 15.895 -7.268 1.00 14.02 C ATOM 491 OG1 THR A 31 8.561 16.466 -7.330 1.00 11.00 O ATOM 492 CG2 THR A 31 10.868 16.823 -7.947 1.00 1.52 C ATOM 0 H THR A 31 8.197 15.061 -9.061 1.00 71.15 H new ATOM 0 HA THR A 31 10.889 14.268 -8.256 1.00 21.40 H new ATOM 0 HB THR A 31 10.167 15.773 -6.226 1.00 14.02 H new ATOM 0 HG1 THR A 31 8.469 16.985 -8.156 1.00 11.00 H new ATOM 0 HG21 THR A 31 10.849 17.797 -7.459 1.00 1.52 H new ATOM 0 HG22 THR A 31 11.870 16.400 -7.873 1.00 1.52 H new ATOM 0 HG23 THR A 31 10.600 16.938 -8.997 1.00 1.52 H new ATOM 500 N ALA A 32 8.707 12.449 -7.406 1.00 73.32 N ATOM 501 CA ALA A 32 8.205 11.387 -6.542 1.00 44.13 C ATOM 502 C ALA A 32 8.684 10.020 -7.019 1.00 31.23 C ATOM 503 O ALA A 32 8.391 8.998 -6.397 1.00 1.13 O ATOM 504 CB ALA A 32 6.685 11.426 -6.486 1.00 4.22 C ATOM 0 H ALA A 32 8.473 12.336 -8.392 1.00 73.32 H new ATOM 0 HA ALA A 32 8.598 11.552 -5.539 1.00 44.13 H new ATOM 0 HB1 ALA A 32 6.324 10.628 -5.837 1.00 4.22 H new ATOM 0 HB2 ALA A 32 6.360 12.389 -6.092 1.00 4.22 H new ATOM 0 HB3 ALA A 32 6.280 11.290 -7.489 1.00 4.22 H new ATOM 510 N ILE A 33 9.420 10.008 -8.125 1.00 0.12 N ATOM 511 CA ILE A 33 9.939 8.766 -8.683 1.00 71.24 C ATOM 512 C ILE A 33 11.337 8.467 -8.154 1.00 63.20 C ATOM 513 O ILE A 33 12.215 9.329 -8.173 1.00 25.55 O ATOM 514 CB ILE A 33 9.985 8.816 -10.222 1.00 55.20 C ATOM 515 CG1 ILE A 33 8.570 8.937 -10.792 1.00 51.22 C ATOM 516 CG2 ILE A 33 10.679 7.579 -10.772 1.00 42.51 C ATOM 517 CD1 ILE A 33 8.120 10.367 -10.995 1.00 4.30 C ATOM 0 H ILE A 33 9.670 10.845 -8.652 1.00 0.12 H new ATOM 0 HA ILE A 33 9.259 7.973 -8.373 1.00 71.24 H new ATOM 0 HB ILE A 33 10.556 9.694 -10.525 1.00 55.20 H new ATOM 0 HG12 ILE A 33 8.525 8.412 -11.746 1.00 51.22 H new ATOM 0 HG13 ILE A 33 7.872 8.437 -10.120 1.00 51.22 H new ATOM 0 HG21 ILE A 33 10.703 7.629 -11.861 1.00 42.51 H new ATOM 0 HG22 ILE A 33 11.698 7.532 -10.388 1.00 42.51 H new ATOM 0 HG23 ILE A 33 10.133 6.688 -10.462 1.00 42.51 H new ATOM 0 HD11 ILE A 33 7.109 10.376 -11.401 1.00 4.30 H new ATOM 0 HD12 ILE A 33 8.132 10.891 -10.039 1.00 4.30 H new ATOM 0 HD13 ILE A 33 8.795 10.866 -11.691 1.00 4.30 H new ATOM 529 N GLU A 34 11.537 7.239 -7.684 1.00 55.23 N ATOM 530 CA GLU A 34 12.829 6.827 -7.151 1.00 23.43 C ATOM 531 C GLU A 34 13.475 5.772 -8.045 1.00 4.12 C ATOM 532 O GLU A 34 13.326 4.572 -7.815 1.00 5.53 O ATOM 533 CB GLU A 34 12.669 6.279 -5.731 1.00 72.42 C ATOM 534 CG GLU A 34 11.886 7.198 -4.809 1.00 3.03 C ATOM 535 CD GLU A 34 12.721 7.712 -3.652 1.00 20.33 C ATOM 536 OE1 GLU A 34 13.944 7.885 -3.834 1.00 64.25 O ATOM 537 OE2 GLU A 34 12.152 7.940 -2.564 1.00 52.31 O ATOM 0 H GLU A 34 10.821 6.513 -7.662 1.00 55.23 H new ATOM 0 HA GLU A 34 13.478 7.702 -7.124 1.00 23.43 H new ATOM 0 HB2 GLU A 34 12.168 5.312 -5.778 1.00 72.42 H new ATOM 0 HB3 GLU A 34 13.657 6.105 -5.304 1.00 72.42 H new ATOM 0 HG2 GLU A 34 11.506 8.044 -5.382 1.00 3.03 H new ATOM 0 HG3 GLU A 34 11.020 6.663 -4.418 1.00 3.03 H new ATOM 544 N ALA A 35 14.193 6.230 -9.066 1.00 30.54 N ATOM 545 CA ALA A 35 14.863 5.327 -9.994 1.00 20.05 C ATOM 546 C ALA A 35 16.379 5.460 -9.891 1.00 34.23 C ATOM 547 O ALA A 35 16.889 6.310 -9.161 1.00 13.12 O ATOM 548 CB ALA A 35 14.403 5.598 -11.418 1.00 70.13 C ATOM 0 H ALA A 35 14.325 7.220 -9.271 1.00 30.54 H new ATOM 0 HA ALA A 35 14.595 4.305 -9.726 1.00 20.05 H new ATOM 0 HB1 ALA A 35 14.911 4.917 -12.100 1.00 70.13 H new ATOM 0 HB2 ALA A 35 13.326 5.445 -11.488 1.00 70.13 H new ATOM 0 HB3 ALA A 35 14.642 6.627 -11.688 1.00 70.13 H new ATOM 554 N ASP A 36 17.093 4.614 -10.625 1.00 40.31 N ATOM 555 CA ASP A 36 18.551 4.638 -10.617 1.00 21.44 C ATOM 556 C ASP A 36 19.083 5.697 -11.577 1.00 22.03 C ATOM 557 O ASP A 36 19.581 5.378 -12.656 1.00 33.23 O ATOM 558 CB ASP A 36 19.107 3.264 -10.995 1.00 33.33 C ATOM 559 CG ASP A 36 18.240 2.129 -10.485 1.00 63.32 C ATOM 560 OD1 ASP A 36 18.017 2.057 -9.258 1.00 55.25 O ATOM 561 OD2 ASP A 36 17.785 1.312 -11.313 1.00 43.43 O ATOM 0 H ASP A 36 16.686 3.903 -11.233 1.00 40.31 H new ATOM 0 HA ASP A 36 18.880 4.890 -9.609 1.00 21.44 H new ATOM 0 HB2 ASP A 36 19.190 3.195 -12.080 1.00 33.33 H new ATOM 0 HB3 ASP A 36 20.114 3.159 -10.590 1.00 33.33 H new ATOM 566 N GLY A 37 18.974 6.960 -11.176 1.00 55.23 N ATOM 567 CA GLY A 37 19.447 8.047 -12.013 1.00 54.41 C ATOM 568 C GLY A 37 18.350 9.038 -12.351 1.00 4.42 C ATOM 569 O GLY A 37 17.793 9.685 -11.464 1.00 21.04 O ATOM 0 H GLY A 37 18.567 7.250 -10.287 1.00 55.23 H new ATOM 0 HA2 GLY A 37 20.258 8.567 -11.504 1.00 54.41 H new ATOM 0 HA3 GLY A 37 19.860 7.638 -12.935 1.00 54.41 H new ATOM 573 N PHE A 38 18.041 9.160 -13.637 1.00 52.04 N ATOM 574 CA PHE A 38 17.006 10.082 -14.091 1.00 34.23 C ATOM 575 C PHE A 38 15.622 9.597 -13.668 1.00 22.42 C ATOM 576 O PHE A 38 15.119 8.598 -14.182 1.00 70.40 O ATOM 577 CB PHE A 38 17.061 10.236 -15.612 1.00 2.30 C ATOM 578 CG PHE A 38 18.402 10.683 -16.121 1.00 21.15 C ATOM 579 CD1 PHE A 38 18.734 12.028 -16.151 1.00 34.23 C ATOM 580 CD2 PHE A 38 19.331 9.758 -16.569 1.00 31.40 C ATOM 581 CE1 PHE A 38 19.967 12.442 -16.618 1.00 13.23 C ATOM 582 CE2 PHE A 38 20.566 10.166 -17.037 1.00 33.04 C ATOM 583 CZ PHE A 38 20.884 11.510 -17.062 1.00 75.12 C ATOM 0 H PHE A 38 18.492 8.632 -14.384 1.00 52.04 H new ATOM 0 HA PHE A 38 17.190 11.051 -13.628 1.00 34.23 H new ATOM 0 HB2 PHE A 38 16.805 9.283 -16.075 1.00 2.30 H new ATOM 0 HB3 PHE A 38 16.304 10.956 -15.924 1.00 2.30 H new ATOM 0 HD1 PHE A 38 18.021 12.761 -15.805 1.00 34.23 H new ATOM 0 HD2 PHE A 38 19.087 8.706 -16.552 1.00 31.40 H new ATOM 0 HE1 PHE A 38 20.213 13.493 -16.636 1.00 13.23 H new ATOM 0 HE2 PHE A 38 21.282 9.435 -17.383 1.00 33.04 H new ATOM 0 HZ PHE A 38 21.848 11.831 -17.428 1.00 75.12 H new ATOM 593 N ARG A 39 15.013 10.311 -12.727 1.00 22.00 N ATOM 594 CA ARG A 39 13.689 9.953 -12.233 1.00 1.01 C ATOM 595 C ARG A 39 12.630 10.172 -13.309 1.00 52.21 C ATOM 596 O ARG A 39 12.198 11.300 -13.551 1.00 62.01 O ATOM 597 CB ARG A 39 13.346 10.775 -10.989 1.00 51.34 C ATOM 598 CG ARG A 39 13.535 12.272 -11.178 1.00 32.35 C ATOM 599 CD ARG A 39 14.450 12.856 -10.113 1.00 32.13 C ATOM 600 NE ARG A 39 14.755 14.262 -10.365 1.00 30.34 N ATOM 601 CZ ARG A 39 15.663 14.670 -11.243 1.00 44.53 C ATOM 602 NH1 ARG A 39 16.352 13.785 -11.951 1.00 12.24 N ATOM 603 NH2 ARG A 39 15.884 15.967 -11.416 1.00 44.43 N ATOM 0 H ARG A 39 15.415 11.141 -12.291 1.00 22.00 H new ATOM 0 HA ARG A 39 13.701 8.895 -11.969 1.00 1.01 H new ATOM 0 HB2 ARG A 39 12.311 10.580 -10.709 1.00 51.34 H new ATOM 0 HB3 ARG A 39 13.969 10.440 -10.159 1.00 51.34 H new ATOM 0 HG2 ARG A 39 13.954 12.465 -12.165 1.00 32.35 H new ATOM 0 HG3 ARG A 39 12.566 12.770 -11.140 1.00 32.35 H new ATOM 0 HD2 ARG A 39 13.978 12.757 -9.135 1.00 32.13 H new ATOM 0 HD3 ARG A 39 15.377 12.284 -10.079 1.00 32.13 H new ATOM 0 HE ARG A 39 14.242 14.969 -9.838 1.00 30.34 H new ATOM 0 HH11 ARG A 39 16.185 12.787 -11.822 1.00 12.24 H new ATOM 0 HH12 ARG A 39 17.049 14.102 -12.625 1.00 12.24 H new ATOM 0 HH21 ARG A 39 15.356 16.651 -10.874 1.00 44.43 H new ATOM 0 HH22 ARG A 39 16.582 16.280 -12.091 1.00 44.43 H new ATOM 617 N THR A 40 12.214 9.086 -13.953 1.00 44.05 N ATOM 618 CA THR A 40 11.208 9.159 -15.005 1.00 15.14 C ATOM 619 C THR A 40 10.585 7.792 -15.265 1.00 53.43 C ATOM 620 O THR A 40 11.231 6.760 -15.086 1.00 65.52 O ATOM 621 CB THR A 40 11.805 9.697 -16.318 1.00 51.44 C ATOM 622 OG1 THR A 40 12.705 10.777 -16.042 1.00 35.45 O ATOM 623 CG2 THR A 40 10.707 10.174 -17.257 1.00 13.01 C ATOM 0 H THR A 40 12.559 8.145 -13.764 1.00 44.05 H new ATOM 0 HA THR A 40 10.437 9.847 -14.658 1.00 15.14 H new ATOM 0 HB THR A 40 12.349 8.886 -16.802 1.00 51.44 H new ATOM 0 HG1 THR A 40 12.361 11.305 -15.292 1.00 35.45 H new ATOM 0 HG21 THR A 40 11.153 10.550 -18.178 1.00 13.01 H new ATOM 0 HG22 THR A 40 10.041 9.343 -17.489 1.00 13.01 H new ATOM 0 HG23 THR A 40 10.139 10.971 -16.778 1.00 13.01 H new ATOM 631 N LEU A 41 9.326 7.792 -15.690 1.00 11.54 N ATOM 632 CA LEU A 41 8.615 6.551 -15.976 1.00 40.22 C ATOM 633 C LEU A 41 8.403 6.379 -17.477 1.00 3.01 C ATOM 634 O LEU A 41 8.652 7.296 -18.258 1.00 0.30 O ATOM 635 CB LEU A 41 7.267 6.534 -15.254 1.00 54.31 C ATOM 636 CG LEU A 41 7.177 5.635 -14.021 1.00 32.31 C ATOM 637 CD1 LEU A 41 8.348 5.893 -13.086 1.00 31.24 C ATOM 638 CD2 LEU A 41 5.856 5.852 -13.297 1.00 71.03 C ATOM 0 H LEU A 41 8.777 8.638 -15.844 1.00 11.54 H new ATOM 0 HA LEU A 41 9.223 5.721 -15.616 1.00 40.22 H new ATOM 0 HB2 LEU A 41 7.026 7.554 -14.954 1.00 54.31 H new ATOM 0 HB3 LEU A 41 6.501 6.221 -15.964 1.00 54.31 H new ATOM 0 HG LEU A 41 7.222 4.596 -14.349 1.00 32.31 H new ATOM 0 HD11 LEU A 41 8.267 5.244 -12.214 1.00 31.24 H new ATOM 0 HD12 LEU A 41 9.282 5.685 -13.607 1.00 31.24 H new ATOM 0 HD13 LEU A 41 8.335 6.935 -12.766 1.00 31.24 H new ATOM 0 HD21 LEU A 41 5.810 5.204 -12.422 1.00 71.03 H new ATOM 0 HD22 LEU A 41 5.780 6.893 -12.982 1.00 71.03 H new ATOM 0 HD23 LEU A 41 5.030 5.615 -13.968 1.00 71.03 H new ATOM 650 N ASN A 42 7.940 5.198 -17.872 1.00 63.43 N ATOM 651 CA ASN A 42 7.693 4.906 -19.280 1.00 22.44 C ATOM 652 C ASN A 42 6.246 4.477 -19.500 1.00 54.33 C ATOM 653 O ASN A 42 5.753 3.559 -18.845 1.00 45.23 O ATOM 654 CB ASN A 42 8.641 3.809 -19.769 1.00 24.14 C ATOM 655 CG ASN A 42 10.099 4.206 -19.640 1.00 25.42 C ATOM 656 OD1 ASN A 42 10.731 4.616 -20.614 1.00 11.14 O ATOM 657 ND2 ASN A 42 10.641 4.084 -18.433 1.00 62.05 N ATOM 0 H ASN A 42 7.728 4.428 -17.238 1.00 63.43 H new ATOM 0 HA ASN A 42 7.875 5.816 -19.852 1.00 22.44 H new ATOM 0 HB2 ASN A 42 8.463 2.898 -19.198 1.00 24.14 H new ATOM 0 HB3 ASN A 42 8.420 3.580 -20.812 1.00 24.14 H new ATOM 0 HD21 ASN A 42 11.619 4.335 -18.285 1.00 62.05 H new ATOM 0 HD22 ASN A 42 10.079 3.740 -17.654 1.00 62.05 H new ATOM 664 N GLU A 43 5.570 5.149 -20.428 1.00 22.14 N ATOM 665 CA GLU A 43 4.179 4.837 -20.734 1.00 40.51 C ATOM 666 C GLU A 43 4.031 3.384 -21.176 1.00 4.33 C ATOM 667 O GLU A 43 4.612 2.966 -22.177 1.00 13.23 O ATOM 668 CB GLU A 43 3.653 5.770 -21.827 1.00 42.13 C ATOM 669 CG GLU A 43 2.241 5.440 -22.282 1.00 5.02 C ATOM 670 CD GLU A 43 1.688 6.462 -23.256 1.00 1.34 C ATOM 671 OE1 GLU A 43 1.954 7.667 -23.067 1.00 5.44 O ATOM 672 OE2 GLU A 43 0.988 6.056 -24.207 1.00 45.11 O ATOM 0 H GLU A 43 5.963 5.912 -20.980 1.00 22.14 H new ATOM 0 HA GLU A 43 3.593 4.984 -19.827 1.00 40.51 H new ATOM 0 HB2 GLU A 43 3.677 6.796 -21.460 1.00 42.13 H new ATOM 0 HB3 GLU A 43 4.323 5.723 -22.686 1.00 42.13 H new ATOM 0 HG2 GLU A 43 2.235 4.456 -22.751 1.00 5.02 H new ATOM 0 HG3 GLU A 43 1.587 5.382 -21.412 1.00 5.02 H new ATOM 679 N GLY A 44 3.250 2.618 -20.420 1.00 0.50 N ATOM 680 CA GLY A 44 3.040 1.221 -20.748 1.00 63.52 C ATOM 681 C GLY A 44 3.965 0.299 -19.978 1.00 43.12 C ATOM 682 O GLY A 44 4.000 -0.905 -20.228 1.00 64.23 O ATOM 0 H GLY A 44 2.759 2.941 -19.586 1.00 0.50 H new ATOM 0 HA2 GLY A 44 2.005 0.953 -20.535 1.00 63.52 H new ATOM 0 HA3 GLY A 44 3.194 1.075 -21.817 1.00 63.52 H new ATOM 686 N GLU A 45 4.717 0.867 -19.040 1.00 63.42 N ATOM 687 CA GLU A 45 5.649 0.087 -18.234 1.00 32.14 C ATOM 688 C GLU A 45 5.107 -0.117 -16.822 1.00 20.13 C ATOM 689 O GLU A 45 4.233 0.622 -16.367 1.00 3.00 O ATOM 690 CB GLU A 45 7.011 0.781 -18.174 1.00 10.34 C ATOM 691 CG GLU A 45 8.071 -0.021 -17.438 1.00 2.10 C ATOM 692 CD GLU A 45 9.478 0.455 -17.742 1.00 64.14 C ATOM 693 OE1 GLU A 45 9.808 0.604 -18.938 1.00 12.32 O ATOM 694 OE2 GLU A 45 10.250 0.677 -16.786 1.00 40.43 O ATOM 0 H GLU A 45 4.699 1.863 -18.820 1.00 63.42 H new ATOM 0 HA GLU A 45 5.768 -0.889 -18.704 1.00 32.14 H new ATOM 0 HB2 GLU A 45 7.355 0.976 -19.190 1.00 10.34 H new ATOM 0 HB3 GLU A 45 6.895 1.749 -17.686 1.00 10.34 H new ATOM 0 HG2 GLU A 45 7.892 0.047 -16.365 1.00 2.10 H new ATOM 0 HG3 GLU A 45 7.980 -1.072 -17.711 1.00 2.10 H new ATOM 701 N HIS A 46 5.632 -1.126 -16.133 1.00 13.21 N ATOM 702 CA HIS A 46 5.201 -1.428 -14.772 1.00 63.14 C ATOM 703 C HIS A 46 6.010 -0.627 -13.756 1.00 55.23 C ATOM 704 O HIS A 46 7.217 -0.447 -13.911 1.00 45.03 O ATOM 705 CB HIS A 46 5.345 -2.924 -14.490 1.00 53.11 C ATOM 706 CG HIS A 46 4.901 -3.793 -15.626 1.00 74.11 C ATOM 707 ND1 HIS A 46 3.672 -4.419 -15.659 1.00 44.14 N ATOM 708 CD2 HIS A 46 5.528 -4.138 -16.775 1.00 2.02 C ATOM 709 CE1 HIS A 46 3.564 -5.113 -16.779 1.00 3.55 C ATOM 710 NE2 HIS A 46 4.677 -4.958 -17.473 1.00 70.43 N ATOM 0 H HIS A 46 6.356 -1.748 -16.494 1.00 13.21 H new ATOM 0 HA HIS A 46 4.152 -1.147 -14.678 1.00 63.14 H new ATOM 0 HB2 HIS A 46 6.388 -3.144 -14.262 1.00 53.11 H new ATOM 0 HB3 HIS A 46 4.764 -3.176 -13.602 1.00 53.11 H new ATOM 0 HD2 HIS A 46 6.514 -3.826 -17.085 1.00 2.02 H new ATOM 0 HE1 HIS A 46 2.711 -5.706 -17.076 1.00 3.55 H new ATOM 0 HE2 HIS A 46 4.873 -5.380 -18.381 1.00 70.43 H new ATOM 718 N VAL A 47 5.335 -0.147 -12.716 1.00 54.25 N ATOM 719 CA VAL A 47 5.990 0.635 -11.675 1.00 12.03 C ATOM 720 C VAL A 47 5.187 0.606 -10.379 1.00 51.21 C ATOM 721 O VAL A 47 3.959 0.680 -10.397 1.00 52.31 O ATOM 722 CB VAL A 47 6.186 2.099 -12.112 1.00 24.15 C ATOM 723 CG1 VAL A 47 7.339 2.212 -13.097 1.00 62.14 C ATOM 724 CG2 VAL A 47 4.903 2.652 -12.713 1.00 63.23 C ATOM 0 H VAL A 47 4.335 -0.286 -12.572 1.00 54.25 H new ATOM 0 HA VAL A 47 6.966 0.181 -11.505 1.00 12.03 H new ATOM 0 HB VAL A 47 6.432 2.693 -11.232 1.00 24.15 H new ATOM 0 HG11 VAL A 47 7.463 3.253 -13.395 1.00 62.14 H new ATOM 0 HG12 VAL A 47 8.256 1.858 -12.626 1.00 62.14 H new ATOM 0 HG13 VAL A 47 7.126 1.606 -13.978 1.00 62.14 H new ATOM 0 HG21 VAL A 47 5.060 3.687 -13.016 1.00 63.23 H new ATOM 0 HG22 VAL A 47 4.623 2.058 -13.583 1.00 63.23 H new ATOM 0 HG23 VAL A 47 4.105 2.608 -11.971 1.00 63.23 H new ATOM 734 N GLU A 48 5.890 0.499 -9.256 1.00 31.41 N ATOM 735 CA GLU A 48 5.241 0.460 -7.950 1.00 65.24 C ATOM 736 C GLU A 48 5.229 1.844 -7.308 1.00 34.11 C ATOM 737 O GLU A 48 6.269 2.488 -7.173 1.00 63.30 O ATOM 738 CB GLU A 48 5.954 -0.534 -7.031 1.00 64.55 C ATOM 739 CG GLU A 48 5.567 -0.397 -5.569 1.00 32.13 C ATOM 740 CD GLU A 48 6.056 -1.557 -4.724 1.00 63.51 C ATOM 741 OE1 GLU A 48 7.250 -1.909 -4.832 1.00 53.21 O ATOM 742 OE2 GLU A 48 5.245 -2.114 -3.955 1.00 1.04 O ATOM 0 H GLU A 48 6.908 0.438 -9.224 1.00 31.41 H new ATOM 0 HA GLU A 48 4.210 0.136 -8.094 1.00 65.24 H new ATOM 0 HB2 GLU A 48 5.731 -1.548 -7.364 1.00 64.55 H new ATOM 0 HB3 GLU A 48 7.031 -0.397 -7.127 1.00 64.55 H new ATOM 0 HG2 GLU A 48 5.977 0.533 -5.174 1.00 32.13 H new ATOM 0 HG3 GLU A 48 4.482 -0.327 -5.489 1.00 32.13 H new ATOM 749 N PHE A 49 4.043 2.296 -6.914 1.00 34.32 N ATOM 750 CA PHE A 49 3.893 3.604 -6.287 1.00 33.20 C ATOM 751 C PHE A 49 3.298 3.471 -4.888 1.00 1.51 C ATOM 752 O PHE A 49 2.439 2.625 -4.646 1.00 32.24 O ATOM 753 CB PHE A 49 3.006 4.506 -7.147 1.00 53.40 C ATOM 754 CG PHE A 49 1.687 3.884 -7.507 1.00 31.04 C ATOM 755 CD1 PHE A 49 1.599 2.962 -8.537 1.00 22.41 C ATOM 756 CD2 PHE A 49 0.535 4.221 -6.814 1.00 61.21 C ATOM 757 CE1 PHE A 49 0.387 2.388 -8.870 1.00 53.12 C ATOM 758 CE2 PHE A 49 -0.680 3.650 -7.143 1.00 13.14 C ATOM 759 CZ PHE A 49 -0.754 2.732 -8.171 1.00 72.25 C ATOM 0 H PHE A 49 3.172 1.776 -7.018 1.00 34.32 H new ATOM 0 HA PHE A 49 4.882 4.054 -6.201 1.00 33.20 H new ATOM 0 HB2 PHE A 49 2.825 5.439 -6.613 1.00 53.40 H new ATOM 0 HB3 PHE A 49 3.540 4.761 -8.062 1.00 53.40 H new ATOM 0 HD1 PHE A 49 2.488 2.689 -9.086 1.00 22.41 H new ATOM 0 HD2 PHE A 49 0.587 4.938 -6.008 1.00 61.21 H new ATOM 0 HE1 PHE A 49 0.332 1.671 -9.676 1.00 53.12 H new ATOM 0 HE2 PHE A 49 -1.571 3.922 -6.596 1.00 13.14 H new ATOM 0 HZ PHE A 49 -1.702 2.283 -8.429 1.00 72.25 H new ATOM 769 N GLU A 50 3.763 4.315 -3.971 1.00 63.35 N ATOM 770 CA GLU A 50 3.279 4.291 -2.596 1.00 74.14 C ATOM 771 C GLU A 50 2.341 5.465 -2.329 1.00 44.24 C ATOM 772 O GLU A 50 2.787 6.578 -2.049 1.00 53.23 O ATOM 773 CB GLU A 50 4.454 4.329 -1.617 1.00 53.22 C ATOM 774 CG GLU A 50 5.246 3.033 -1.566 1.00 14.43 C ATOM 775 CD GLU A 50 6.159 2.956 -0.358 1.00 64.31 C ATOM 776 OE1 GLU A 50 5.836 3.584 0.671 1.00 14.44 O ATOM 777 OE2 GLU A 50 7.198 2.267 -0.442 1.00 54.12 O ATOM 0 H GLU A 50 4.474 5.023 -4.156 1.00 63.35 H new ATOM 0 HA GLU A 50 2.724 3.364 -2.449 1.00 74.14 H new ATOM 0 HB2 GLU A 50 5.123 5.143 -1.897 1.00 53.22 H new ATOM 0 HB3 GLU A 50 4.078 4.554 -0.619 1.00 53.22 H new ATOM 0 HG2 GLU A 50 4.556 2.190 -1.550 1.00 14.43 H new ATOM 0 HG3 GLU A 50 5.842 2.939 -2.474 1.00 14.43 H new ATOM 784 N VAL A 51 1.040 5.209 -2.419 1.00 62.50 N ATOM 785 CA VAL A 51 0.039 6.243 -2.187 1.00 22.10 C ATOM 786 C VAL A 51 0.116 6.772 -0.759 1.00 45.13 C ATOM 787 O VAL A 51 0.026 6.009 0.201 1.00 22.53 O ATOM 788 CB VAL A 51 -1.384 5.716 -2.451 1.00 41.12 C ATOM 789 CG1 VAL A 51 -1.500 5.181 -3.870 1.00 55.13 C ATOM 790 CG2 VAL A 51 -1.752 4.644 -1.437 1.00 4.05 C ATOM 0 H VAL A 51 0.654 4.294 -2.651 1.00 62.50 H new ATOM 0 HA VAL A 51 0.254 7.053 -2.884 1.00 22.10 H new ATOM 0 HB VAL A 51 -2.085 6.543 -2.341 1.00 41.12 H new ATOM 0 HG11 VAL A 51 -2.512 4.813 -4.038 1.00 55.13 H new ATOM 0 HG12 VAL A 51 -1.282 5.980 -4.579 1.00 55.13 H new ATOM 0 HG13 VAL A 51 -0.790 4.366 -4.011 1.00 55.13 H new ATOM 0 HG21 VAL A 51 -2.761 4.283 -1.639 1.00 4.05 H new ATOM 0 HG22 VAL A 51 -1.048 3.815 -1.512 1.00 4.05 H new ATOM 0 HG23 VAL A 51 -1.711 5.064 -0.432 1.00 4.05 H new ATOM 800 N GLU A 52 0.284 8.084 -0.629 1.00 13.43 N ATOM 801 CA GLU A 52 0.373 8.716 0.683 1.00 64.52 C ATOM 802 C GLU A 52 -0.880 9.534 0.980 1.00 70.42 C ATOM 803 O GLU A 52 -1.608 9.951 0.078 1.00 5.05 O ATOM 804 CB GLU A 52 1.611 9.612 0.758 1.00 11.33 C ATOM 805 CG GLU A 52 2.691 9.082 1.686 1.00 1.31 C ATOM 806 CD GLU A 52 3.541 10.187 2.284 1.00 55.13 C ATOM 807 OE1 GLU A 52 3.808 11.180 1.575 1.00 13.03 O ATOM 808 OE2 GLU A 52 3.938 10.058 3.461 1.00 51.33 O ATOM 0 H GLU A 52 0.361 8.730 -1.415 1.00 13.43 H new ATOM 0 HA GLU A 52 0.457 7.929 1.432 1.00 64.52 H new ATOM 0 HB2 GLU A 52 2.028 9.726 -0.243 1.00 11.33 H new ATOM 0 HB3 GLU A 52 1.311 10.605 1.093 1.00 11.33 H new ATOM 0 HG2 GLU A 52 2.226 8.511 2.490 1.00 1.31 H new ATOM 0 HG3 GLU A 52 3.332 8.393 1.135 1.00 1.31 H new ATOM 815 N PRO A 53 -1.140 9.768 2.275 1.00 42.44 N ATOM 816 CA PRO A 53 -2.305 10.538 2.721 1.00 22.24 C ATOM 817 C PRO A 53 -2.189 12.018 2.375 1.00 53.30 C ATOM 818 O PRO A 53 -2.622 12.452 1.308 1.00 60.30 O ATOM 819 CB PRO A 53 -2.298 10.342 4.239 1.00 34.25 C ATOM 820 CG PRO A 53 -0.877 10.052 4.578 1.00 2.10 C ATOM 821 CD PRO A 53 -0.316 9.301 3.402 1.00 2.41 C ATOM 0 HA PRO A 53 -3.223 10.205 2.238 1.00 22.24 H new ATOM 0 HB2 PRO A 53 -2.654 11.234 4.755 1.00 34.25 H new ATOM 0 HB3 PRO A 53 -2.951 9.521 4.535 1.00 34.25 H new ATOM 0 HG2 PRO A 53 -0.322 10.973 4.754 1.00 2.10 H new ATOM 0 HG3 PRO A 53 -0.806 9.459 5.490 1.00 2.10 H new ATOM 0 HD2 PRO A 53 0.740 9.525 3.248 1.00 2.41 H new ATOM 0 HD3 PRO A 53 -0.396 8.223 3.539 1.00 2.41 H new ATOM 829 N GLY A 54 -1.602 12.790 3.284 1.00 10.44 N ATOM 830 CA GLY A 54 -1.440 14.214 3.056 1.00 51.34 C ATOM 831 C GLY A 54 -0.265 14.526 2.150 1.00 12.10 C ATOM 832 O GLY A 54 0.640 15.269 2.530 1.00 31.10 O ATOM 0 H GLY A 54 -1.236 12.455 4.175 1.00 10.44 H new ATOM 0 HA2 GLY A 54 -2.352 14.614 2.614 1.00 51.34 H new ATOM 0 HA3 GLY A 54 -1.302 14.719 4.012 1.00 51.34 H new ATOM 836 N ARG A 55 -0.278 13.956 0.950 1.00 41.15 N ATOM 837 CA ARG A 55 0.796 14.175 -0.012 1.00 2.14 C ATOM 838 C ARG A 55 0.233 14.519 -1.387 1.00 60.25 C ATOM 839 O ARG A 55 0.769 15.372 -2.094 1.00 22.43 O ATOM 840 CB ARG A 55 1.684 12.933 -0.108 1.00 2.11 C ATOM 841 CG ARG A 55 3.100 13.231 -0.574 1.00 52.22 C ATOM 842 CD ARG A 55 3.820 14.161 0.390 1.00 53.11 C ATOM 843 NE ARG A 55 5.265 13.950 0.377 1.00 12.45 N ATOM 844 CZ ARG A 55 6.136 14.802 0.906 1.00 43.43 C ATOM 845 NH1 ARG A 55 5.711 15.916 1.485 1.00 2.54 N ATOM 846 NH2 ARG A 55 7.436 14.541 0.855 1.00 21.40 N ATOM 0 H ARG A 55 -1.020 13.339 0.620 1.00 41.15 H new ATOM 0 HA ARG A 55 1.396 15.016 0.336 1.00 2.14 H new ATOM 0 HB2 ARG A 55 1.726 12.450 0.868 1.00 2.11 H new ATOM 0 HB3 ARG A 55 1.226 12.222 -0.796 1.00 2.11 H new ATOM 0 HG2 ARG A 55 3.657 12.299 -0.667 1.00 52.22 H new ATOM 0 HG3 ARG A 55 3.070 13.684 -1.565 1.00 52.22 H new ATOM 0 HD2 ARG A 55 3.602 15.196 0.126 1.00 53.11 H new ATOM 0 HD3 ARG A 55 3.439 14.003 1.399 1.00 53.11 H new ATOM 0 HE ARG A 55 5.625 13.103 -0.062 1.00 12.45 H new ATOM 0 HH11 ARG A 55 4.713 16.121 1.525 1.00 2.54 H new ATOM 0 HH12 ARG A 55 6.382 16.568 1.890 1.00 2.54 H new ATOM 0 HH21 ARG A 55 7.767 13.685 0.409 1.00 21.40 H new ATOM 0 HH22 ARG A 55 8.104 15.196 1.262 1.00 21.40 H new ATOM 860 N GLY A 56 -0.852 13.848 -1.762 1.00 32.32 N ATOM 861 CA GLY A 56 -1.470 14.096 -3.052 1.00 25.55 C ATOM 862 C GLY A 56 -2.586 15.118 -2.973 1.00 61.21 C ATOM 863 O GLY A 56 -3.438 15.050 -2.088 1.00 41.32 O ATOM 0 H GLY A 56 -1.314 13.137 -1.195 1.00 32.32 H new ATOM 0 HA2 GLY A 56 -0.712 14.444 -3.754 1.00 25.55 H new ATOM 0 HA3 GLY A 56 -1.865 13.161 -3.448 1.00 25.55 H new ATOM 867 N GLY A 57 -2.581 16.070 -3.901 1.00 71.24 N ATOM 868 CA GLY A 57 -3.605 17.098 -3.914 1.00 41.35 C ATOM 869 C GLY A 57 -5.002 16.528 -3.769 1.00 23.22 C ATOM 870 O GLY A 57 -5.882 17.162 -3.186 1.00 71.44 O ATOM 0 H GLY A 57 -1.886 16.148 -4.644 1.00 71.24 H new ATOM 0 HA2 GLY A 57 -3.418 17.803 -3.104 1.00 41.35 H new ATOM 0 HA3 GLY A 57 -3.540 17.659 -4.846 1.00 41.35 H new ATOM 874 N LYS A 58 -5.207 15.328 -4.300 1.00 73.35 N ATOM 875 CA LYS A 58 -6.507 14.671 -4.228 1.00 21.40 C ATOM 876 C LYS A 58 -6.542 13.658 -3.088 1.00 2.03 C ATOM 877 O LYS A 58 -7.608 13.324 -2.573 1.00 54.53 O ATOM 878 CB LYS A 58 -6.824 13.974 -5.553 1.00 63.40 C ATOM 879 CG LYS A 58 -7.734 14.781 -6.463 1.00 25.23 C ATOM 880 CD LYS A 58 -6.941 15.740 -7.335 1.00 12.54 C ATOM 881 CE LYS A 58 -7.000 17.162 -6.796 1.00 35.43 C ATOM 882 NZ LYS A 58 -5.683 17.849 -6.898 1.00 75.01 N ATOM 0 H LYS A 58 -4.489 14.790 -4.785 1.00 73.35 H new ATOM 0 HA LYS A 58 -7.261 15.434 -4.037 1.00 21.40 H new ATOM 0 HB2 LYS A 58 -5.891 13.767 -6.077 1.00 63.40 H new ATOM 0 HB3 LYS A 58 -7.293 13.012 -5.345 1.00 63.40 H new ATOM 0 HG2 LYS A 58 -8.311 14.105 -7.095 1.00 25.23 H new ATOM 0 HG3 LYS A 58 -8.449 15.342 -5.860 1.00 25.23 H new ATOM 0 HD2 LYS A 58 -5.903 15.412 -7.387 1.00 12.54 H new ATOM 0 HD3 LYS A 58 -7.334 15.718 -8.352 1.00 12.54 H new ATOM 0 HE2 LYS A 58 -7.749 17.729 -7.349 1.00 35.43 H new ATOM 0 HE3 LYS A 58 -7.320 17.142 -5.754 1.00 35.43 H new ATOM 0 HZ1 LYS A 58 -5.733 18.769 -6.415 1.00 75.01 H new ATOM 0 HZ2 LYS A 58 -4.950 17.262 -6.451 1.00 75.01 H new ATOM 0 HZ3 LYS A 58 -5.445 17.997 -7.900 1.00 75.01 H new ATOM 896 N GLY A 59 -5.367 13.173 -2.696 1.00 51.24 N ATOM 897 CA GLY A 59 -5.286 12.205 -1.619 1.00 32.34 C ATOM 898 C GLY A 59 -4.112 11.259 -1.776 1.00 3.44 C ATOM 899 O GLY A 59 -2.995 11.545 -1.342 1.00 34.21 O ATOM 0 H GLY A 59 -4.470 13.434 -3.106 1.00 51.24 H new ATOM 0 HA2 GLY A 59 -5.200 12.731 -0.668 1.00 32.34 H new ATOM 0 HA3 GLY A 59 -6.210 11.629 -1.582 1.00 32.34 H new ATOM 903 N PRO A 60 -4.359 10.103 -2.408 1.00 64.40 N ATOM 904 CA PRO A 60 -3.325 9.088 -2.634 1.00 71.05 C ATOM 905 C PRO A 60 -2.285 9.537 -3.655 1.00 54.44 C ATOM 906 O PRO A 60 -2.605 9.759 -4.823 1.00 11.42 O ATOM 907 CB PRO A 60 -4.115 7.890 -3.168 1.00 21.05 C ATOM 908 CG PRO A 60 -5.338 8.483 -3.777 1.00 43.54 C ATOM 909 CD PRO A 60 -5.666 9.696 -2.951 1.00 44.32 C ATOM 0 HA PRO A 60 -2.759 8.874 -1.727 1.00 71.05 H new ATOM 0 HB2 PRO A 60 -3.537 7.331 -3.904 1.00 21.05 H new ATOM 0 HB3 PRO A 60 -4.369 7.195 -2.368 1.00 21.05 H new ATOM 0 HG2 PRO A 60 -5.163 8.755 -4.818 1.00 43.54 H new ATOM 0 HG3 PRO A 60 -6.163 7.770 -3.769 1.00 43.54 H new ATOM 0 HD2 PRO A 60 -6.113 10.485 -3.556 1.00 44.32 H new ATOM 0 HD3 PRO A 60 -6.376 9.462 -2.157 1.00 44.32 H new ATOM 917 N GLN A 61 -1.041 9.669 -3.207 1.00 70.23 N ATOM 918 CA GLN A 61 0.045 10.092 -4.083 1.00 41.12 C ATOM 919 C GLN A 61 1.161 9.053 -4.107 1.00 45.32 C ATOM 920 O GLN A 61 1.373 8.332 -3.133 1.00 15.25 O ATOM 921 CB GLN A 61 0.599 11.443 -3.627 1.00 41.13 C ATOM 922 CG GLN A 61 1.913 11.818 -4.293 1.00 25.50 C ATOM 923 CD GLN A 61 3.113 11.555 -3.404 1.00 63.45 C ATOM 924 OE1 GLN A 61 2.991 10.946 -2.341 1.00 3.32 O ATOM 925 NE2 GLN A 61 4.282 12.013 -3.837 1.00 23.40 N ATOM 0 H GLN A 61 -0.760 9.489 -2.243 1.00 70.23 H new ATOM 0 HA GLN A 61 -0.354 10.193 -5.092 1.00 41.12 H new ATOM 0 HB2 GLN A 61 -0.139 12.218 -3.836 1.00 41.13 H new ATOM 0 HB3 GLN A 61 0.742 11.422 -2.547 1.00 41.13 H new ATOM 0 HG2 GLN A 61 2.021 11.253 -5.219 1.00 25.50 H new ATOM 0 HG3 GLN A 61 1.891 12.874 -4.564 1.00 25.50 H new ATOM 0 HE21 GLN A 61 4.337 12.513 -4.725 1.00 23.40 H new ATOM 0 HE22 GLN A 61 5.125 11.865 -3.282 1.00 23.40 H new ATOM 934 N ALA A 62 1.873 8.982 -5.227 1.00 42.53 N ATOM 935 CA ALA A 62 2.969 8.033 -5.377 1.00 51.14 C ATOM 936 C ALA A 62 4.194 8.478 -4.585 1.00 55.43 C ATOM 937 O ALA A 62 5.266 8.695 -5.150 1.00 10.43 O ATOM 938 CB ALA A 62 3.322 7.863 -6.848 1.00 21.15 C ATOM 0 H ALA A 62 1.710 9.571 -6.044 1.00 42.53 H new ATOM 0 HA ALA A 62 2.642 7.072 -4.979 1.00 51.14 H new ATOM 0 HB1 ALA A 62 4.142 7.152 -6.946 1.00 21.15 H new ATOM 0 HB2 ALA A 62 2.453 7.491 -7.390 1.00 21.15 H new ATOM 0 HB3 ALA A 62 3.624 8.824 -7.263 1.00 21.15 H new ATOM 944 N LYS A 63 4.027 8.614 -3.274 1.00 21.30 N ATOM 945 CA LYS A 63 5.119 9.033 -2.403 1.00 34.21 C ATOM 946 C LYS A 63 6.394 8.258 -2.718 1.00 22.02 C ATOM 947 O LYS A 63 7.494 8.811 -2.681 1.00 72.50 O ATOM 948 CB LYS A 63 4.735 8.829 -0.936 1.00 15.14 C ATOM 949 CG LYS A 63 5.887 9.043 0.030 1.00 21.12 C ATOM 950 CD LYS A 63 6.561 7.730 0.394 1.00 13.40 C ATOM 951 CE LYS A 63 5.668 6.872 1.277 1.00 2.03 C ATOM 952 NZ LYS A 63 5.712 7.308 2.701 1.00 63.14 N ATOM 0 H LYS A 63 3.146 8.440 -2.791 1.00 21.30 H new ATOM 0 HA LYS A 63 5.306 10.092 -2.580 1.00 34.21 H new ATOM 0 HB2 LYS A 63 3.927 9.515 -0.682 1.00 15.14 H new ATOM 0 HB3 LYS A 63 4.347 7.818 -0.808 1.00 15.14 H new ATOM 0 HG2 LYS A 63 6.618 9.716 -0.418 1.00 21.12 H new ATOM 0 HG3 LYS A 63 5.519 9.527 0.935 1.00 21.12 H new ATOM 0 HD2 LYS A 63 6.809 7.183 -0.515 1.00 13.40 H new ATOM 0 HD3 LYS A 63 7.499 7.932 0.911 1.00 13.40 H new ATOM 0 HE2 LYS A 63 4.642 6.922 0.913 1.00 2.03 H new ATOM 0 HE3 LYS A 63 5.981 5.830 1.206 1.00 2.03 H new ATOM 0 HZ1 LYS A 63 5.065 6.720 3.264 1.00 63.14 H new ATOM 0 HZ2 LYS A 63 6.680 7.204 3.066 1.00 63.14 H new ATOM 0 HZ3 LYS A 63 5.422 8.304 2.768 1.00 63.14 H new ATOM 966 N LYS A 64 6.240 6.975 -3.029 1.00 3.33 N ATOM 967 CA LYS A 64 7.379 6.124 -3.353 1.00 50.31 C ATOM 968 C LYS A 64 7.123 5.339 -4.635 1.00 62.33 C ATOM 969 O LYS A 64 6.368 4.366 -4.639 1.00 51.54 O ATOM 970 CB LYS A 64 7.666 5.160 -2.200 1.00 71.21 C ATOM 971 CG LYS A 64 9.107 5.197 -1.720 1.00 74.03 C ATOM 972 CD LYS A 64 9.241 4.637 -0.314 1.00 15.40 C ATOM 973 CE LYS A 64 10.258 3.509 -0.258 1.00 23.52 C ATOM 974 NZ LYS A 64 9.904 2.396 -1.183 1.00 4.25 N ATOM 0 H LYS A 64 5.337 6.502 -3.063 1.00 3.33 H new ATOM 0 HA LYS A 64 8.248 6.764 -3.507 1.00 50.31 H new ATOM 0 HB2 LYS A 64 7.008 5.399 -1.365 1.00 71.21 H new ATOM 0 HB3 LYS A 64 7.423 4.146 -2.517 1.00 71.21 H new ATOM 0 HG2 LYS A 64 9.734 4.623 -2.403 1.00 74.03 H new ATOM 0 HG3 LYS A 64 9.472 6.224 -1.740 1.00 74.03 H new ATOM 0 HD2 LYS A 64 9.540 5.432 0.368 1.00 15.40 H new ATOM 0 HD3 LYS A 64 8.272 4.272 0.027 1.00 15.40 H new ATOM 0 HE2 LYS A 64 11.244 3.896 -0.516 1.00 23.52 H new ATOM 0 HE3 LYS A 64 10.322 3.128 0.761 1.00 23.52 H new ATOM 0 HZ1 LYS A 64 10.410 1.533 -0.898 1.00 4.25 H new ATOM 0 HZ2 LYS A 64 8.879 2.225 -1.144 1.00 4.25 H new ATOM 0 HZ3 LYS A 64 10.175 2.652 -2.154 1.00 4.25 H new ATOM 988 N VAL A 65 7.758 5.766 -5.722 1.00 63.53 N ATOM 989 CA VAL A 65 7.601 5.100 -7.010 1.00 44.31 C ATOM 990 C VAL A 65 8.863 4.332 -7.389 1.00 53.54 C ATOM 991 O VAL A 65 9.978 4.800 -7.161 1.00 24.25 O ATOM 992 CB VAL A 65 7.272 6.109 -8.127 1.00 5.14 C ATOM 993 CG1 VAL A 65 8.163 5.875 -9.337 1.00 42.22 C ATOM 994 CG2 VAL A 65 5.803 6.019 -8.510 1.00 21.50 C ATOM 0 H VAL A 65 8.386 6.570 -5.736 1.00 63.53 H new ATOM 0 HA VAL A 65 6.771 4.401 -6.906 1.00 44.31 H new ATOM 0 HB VAL A 65 7.465 7.115 -7.753 1.00 5.14 H new ATOM 0 HG11 VAL A 65 7.916 6.597 -10.116 1.00 42.22 H new ATOM 0 HG12 VAL A 65 9.207 5.995 -9.049 1.00 42.22 H new ATOM 0 HG13 VAL A 65 8.005 4.865 -9.715 1.00 42.22 H new ATOM 0 HG21 VAL A 65 5.588 6.739 -9.300 1.00 21.50 H new ATOM 0 HG22 VAL A 65 5.581 5.013 -8.865 1.00 21.50 H new ATOM 0 HG23 VAL A 65 5.186 6.241 -7.639 1.00 21.50 H new ATOM 1004 N ARG A 66 8.678 3.152 -7.971 1.00 32.11 N ATOM 1005 CA ARG A 66 9.801 2.318 -8.382 1.00 1.33 C ATOM 1006 C ARG A 66 9.617 1.825 -9.814 1.00 11.01 C ATOM 1007 O ARG A 66 8.501 1.525 -10.239 1.00 1.20 O ATOM 1008 CB ARG A 66 9.951 1.126 -7.436 1.00 24.44 C ATOM 1009 CG ARG A 66 10.267 1.521 -6.002 1.00 40.14 C ATOM 1010 CD ARG A 66 11.171 0.500 -5.329 1.00 41.40 C ATOM 1011 NE ARG A 66 12.572 0.683 -5.698 1.00 4.05 N ATOM 1012 CZ ARG A 66 13.587 0.188 -4.997 1.00 71.04 C ATOM 1013 NH1 ARG A 66 13.357 -0.517 -3.898 1.00 52.50 N ATOM 1014 NH2 ARG A 66 14.835 0.397 -5.397 1.00 71.20 N ATOM 0 H ARG A 66 7.761 2.752 -8.169 1.00 32.11 H new ATOM 0 HA ARG A 66 10.706 2.924 -8.339 1.00 1.33 H new ATOM 0 HB2 ARG A 66 9.029 0.545 -7.449 1.00 24.44 H new ATOM 0 HB3 ARG A 66 10.743 0.476 -7.808 1.00 24.44 H new ATOM 0 HG2 ARG A 66 10.749 2.499 -5.991 1.00 40.14 H new ATOM 0 HG3 ARG A 66 9.340 1.616 -5.437 1.00 40.14 H new ATOM 0 HD2 ARG A 66 11.067 0.581 -4.247 1.00 41.40 H new ATOM 0 HD3 ARG A 66 10.852 -0.505 -5.605 1.00 41.40 H new ATOM 0 HE ARG A 66 12.783 1.220 -6.539 1.00 4.05 H new ATOM 0 HH11 ARG A 66 12.399 -0.681 -3.588 1.00 52.50 H new ATOM 0 HH12 ARG A 66 14.138 -0.896 -3.362 1.00 52.50 H new ATOM 0 HH21 ARG A 66 15.016 0.938 -6.243 1.00 71.20 H new ATOM 0 HH22 ARG A 66 15.614 0.017 -4.859 1.00 71.20 H new ATOM 1028 N ARG A 67 10.719 1.744 -10.553 1.00 13.23 N ATOM 1029 CA ARG A 67 10.678 1.289 -11.937 1.00 45.32 C ATOM 1030 C ARG A 67 10.580 -0.232 -12.007 1.00 51.21 C ATOM 1031 O ARG A 67 11.282 -0.943 -11.287 1.00 50.43 O ATOM 1032 CB ARG A 67 11.923 1.766 -12.689 1.00 73.52 C ATOM 1033 CG ARG A 67 13.193 1.033 -12.290 1.00 61.54 C ATOM 1034 CD ARG A 67 14.400 1.553 -13.056 1.00 31.25 C ATOM 1035 NE ARG A 67 14.590 0.850 -14.321 1.00 60.15 N ATOM 1036 CZ ARG A 67 14.981 -0.417 -14.407 1.00 44.43 C ATOM 1037 NH1 ARG A 67 15.223 -1.115 -13.307 1.00 35.44 N ATOM 1038 NH2 ARG A 67 15.132 -0.987 -15.596 1.00 10.30 N ATOM 0 H ARG A 67 11.650 1.988 -10.216 1.00 13.23 H new ATOM 0 HA ARG A 67 9.792 1.714 -12.407 1.00 45.32 H new ATOM 0 HB2 ARG A 67 11.761 1.639 -13.759 1.00 73.52 H new ATOM 0 HB3 ARG A 67 12.058 2.833 -12.511 1.00 73.52 H new ATOM 0 HG2 ARG A 67 13.362 1.151 -11.220 1.00 61.54 H new ATOM 0 HG3 ARG A 67 13.073 -0.034 -12.478 1.00 61.54 H new ATOM 0 HD2 ARG A 67 14.275 2.619 -13.249 1.00 31.25 H new ATOM 0 HD3 ARG A 67 15.294 1.443 -12.442 1.00 31.25 H new ATOM 0 HE ARG A 67 14.413 1.359 -15.187 1.00 60.15 H new ATOM 0 HH11 ARG A 67 15.109 -0.680 -12.392 1.00 35.44 H new ATOM 0 HH12 ARG A 67 15.523 -2.087 -13.376 1.00 35.44 H new ATOM 0 HH21 ARG A 67 14.948 -0.452 -16.445 1.00 10.30 H new ATOM 0 HH22 ARG A 67 15.432 -1.960 -15.661 1.00 10.30 H new ATOM 1052 N ILE A 68 9.705 -0.723 -12.877 1.00 74.44 N ATOM 1053 CA ILE A 68 9.515 -2.159 -13.041 1.00 60.32 C ATOM 1054 C ILE A 68 9.332 -2.526 -14.510 1.00 43.31 C ATOM 1055 O ILE A 68 8.280 -2.275 -15.097 1.00 51.14 O ATOM 1056 CB ILE A 68 8.297 -2.661 -12.243 1.00 60.02 C ATOM 1057 CG1 ILE A 68 8.284 -2.039 -10.845 1.00 64.23 C ATOM 1058 CG2 ILE A 68 8.312 -4.180 -12.153 1.00 51.32 C ATOM 1059 CD1 ILE A 68 9.344 -2.601 -9.924 1.00 64.32 C ATOM 0 H ILE A 68 9.116 -0.148 -13.479 1.00 74.44 H new ATOM 0 HA ILE A 68 10.414 -2.641 -12.658 1.00 60.32 H new ATOM 0 HB ILE A 68 7.389 -2.356 -12.764 1.00 60.02 H new ATOM 0 HG12 ILE A 68 8.425 -0.962 -10.934 1.00 64.23 H new ATOM 0 HG13 ILE A 68 7.303 -2.196 -10.396 1.00 64.23 H new ATOM 0 HG21 ILE A 68 7.445 -4.519 -11.586 1.00 51.32 H new ATOM 0 HG22 ILE A 68 8.278 -4.604 -13.156 1.00 51.32 H new ATOM 0 HG23 ILE A 68 9.223 -4.506 -11.652 1.00 51.32 H new ATOM 0 HD11 ILE A 68 9.276 -2.114 -8.951 1.00 64.32 H new ATOM 0 HD12 ILE A 68 9.191 -3.674 -9.805 1.00 64.32 H new ATOM 0 HD13 ILE A 68 10.330 -2.421 -10.352 1.00 64.32 H new TER 1071 ILE A 68