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 29 HIS : no HD1:sc= -1.07 K(o=-3.3,f=-5.1!) USER MOD Set 1.2: A 61 GLN : amide:sc= -2.28 K(o=-3.3,f=-6.4) USER MOD Set 2.1: A 2 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.253) USER MOD Set 2.2: A 20 GLN :FLIP amide:sc= -1.19 F(o=-2.8,f=-1.2) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -179:sc= -3.04! (180deg=-3.12!) 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+ 161:sc= -0.0313 (180deg=-0.251) USER MOD Single : A 10 ASN : amide:sc= -0.605 K(o=-0.6,f=-13!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.584 X(o=-0.58,f=-0.1) USER MOD Single : A 31 THR OG1 : rot -42:sc= 0.951 USER MOD Single : A 40 THR OG1 : rot 54:sc= 1.65 USER MOD Single : A 42 ASN : amide:sc= 0.0302 X(o=0.03,f=-0.024) USER MOD Single : A 46 HIS : no HD1:sc= -1.01 K(o=-1,f=-2.1!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -124:sc= -1.25 (180deg=-4.23!) USER MOD Single : A 64 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00897) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.565 1.467 -1.254 1.00 72.44 N ATOM 2 CA MET A 1 2.278 0.253 -1.635 1.00 30.32 C ATOM 3 C MET A 1 1.506 -0.521 -2.699 1.00 15.14 C ATOM 4 O MET A 1 1.106 -1.665 -2.481 1.00 52.04 O ATOM 5 CB MET A 1 2.509 -0.634 -0.410 1.00 12.14 C ATOM 6 CG MET A 1 3.283 0.055 0.702 1.00 11.42 C ATOM 7 SD MET A 1 2.837 -0.554 2.340 1.00 42.42 S ATOM 8 CE MET A 1 4.192 0.088 3.320 1.00 51.30 C ATOM 0 H1 MET A 1 2.118 1.985 -0.542 1.00 72.44 H new ATOM 0 H2 MET A 1 1.430 2.068 -2.092 1.00 72.44 H new ATOM 0 H3 MET A 1 0.638 1.215 -0.856 1.00 72.44 H new ATOM 0 HA MET A 1 3.242 0.544 -2.051 1.00 30.32 H new ATOM 0 HB2 MET A 1 1.545 -0.961 -0.021 1.00 12.14 H new ATOM 0 HB3 MET A 1 3.049 -1.530 -0.717 1.00 12.14 H new ATOM 0 HG2 MET A 1 4.351 -0.093 0.542 1.00 11.42 H new ATOM 0 HG3 MET A 1 3.100 1.129 0.656 1.00 11.42 H new ATOM 0 HE1 MET A 1 4.059 -0.206 4.361 1.00 51.30 H new ATOM 0 HE2 MET A 1 5.134 -0.315 2.947 1.00 51.30 H new ATOM 0 HE3 MET A 1 4.209 1.176 3.249 1.00 51.30 H new ATOM 18 N LYS A 2 1.298 0.110 -3.849 1.00 42.42 N ATOM 19 CA LYS A 2 0.574 -0.518 -4.948 1.00 25.22 C ATOM 20 C LYS A 2 1.423 -0.542 -6.215 1.00 61.51 C ATOM 21 O LYS A 2 2.337 0.267 -6.379 1.00 34.43 O ATOM 22 CB LYS A 2 -0.737 0.225 -5.213 1.00 64.05 C ATOM 23 CG LYS A 2 -1.757 0.075 -4.099 1.00 35.11 C ATOM 24 CD LYS A 2 -2.106 -1.384 -3.855 1.00 11.23 C ATOM 25 CE LYS A 2 -3.220 -1.526 -2.829 1.00 72.51 C ATOM 26 NZ LYS A 2 -4.557 -1.234 -3.418 1.00 24.14 N ATOM 0 H LYS A 2 1.621 1.057 -4.045 1.00 42.42 H new ATOM 0 HA LYS A 2 0.350 -1.546 -4.662 1.00 25.22 H new ATOM 0 HB2 LYS A 2 -0.522 1.284 -5.357 1.00 64.05 H new ATOM 0 HB3 LYS A 2 -1.171 -0.142 -6.143 1.00 64.05 H new ATOM 0 HG2 LYS A 2 -1.363 0.514 -3.182 1.00 35.11 H new ATOM 0 HG3 LYS A 2 -2.661 0.628 -4.355 1.00 35.11 H new ATOM 0 HD2 LYS A 2 -2.412 -1.848 -4.793 1.00 11.23 H new ATOM 0 HD3 LYS A 2 -1.221 -1.918 -3.509 1.00 11.23 H new ATOM 0 HE2 LYS A 2 -3.214 -2.538 -2.425 1.00 72.51 H new ATOM 0 HE3 LYS A 2 -3.035 -0.849 -1.995 1.00 72.51 H new ATOM 0 HZ1 LYS A 2 -5.167 -0.798 -2.697 1.00 24.14 H new ATOM 0 HZ2 LYS A 2 -4.448 -0.580 -4.220 1.00 24.14 H new ATOM 0 HZ3 LYS A 2 -4.991 -2.119 -3.749 1.00 24.14 H new ATOM 40 N LYS A 3 1.115 -1.475 -7.110 1.00 52.44 N ATOM 41 CA LYS A 3 1.847 -1.603 -8.365 1.00 33.01 C ATOM 42 C LYS A 3 0.888 -1.692 -9.548 1.00 13.23 C ATOM 43 O LYS A 3 -0.124 -2.389 -9.488 1.00 31.20 O ATOM 44 CB LYS A 3 2.746 -2.841 -8.330 1.00 2.30 C ATOM 45 CG LYS A 3 3.453 -3.041 -7.001 1.00 23.32 C ATOM 46 CD LYS A 3 4.666 -3.945 -7.145 1.00 43.03 C ATOM 47 CE LYS A 3 4.259 -5.389 -7.394 1.00 71.12 C ATOM 48 NZ LYS A 3 5.255 -6.349 -6.844 1.00 22.25 N ATOM 0 H LYS A 3 0.363 -2.154 -6.989 1.00 52.44 H new ATOM 0 HA LYS A 3 2.466 -0.714 -8.488 1.00 33.01 H new ATOM 0 HB2 LYS A 3 2.144 -3.723 -8.548 1.00 2.30 H new ATOM 0 HB3 LYS A 3 3.492 -2.761 -9.121 1.00 2.30 H new ATOM 0 HG2 LYS A 3 3.763 -2.075 -6.604 1.00 23.32 H new ATOM 0 HG3 LYS A 3 2.759 -3.474 -6.280 1.00 23.32 H new ATOM 0 HD2 LYS A 3 5.287 -3.594 -7.969 1.00 43.03 H new ATOM 0 HD3 LYS A 3 5.273 -3.888 -6.241 1.00 43.03 H new ATOM 0 HE2 LYS A 3 3.286 -5.575 -6.940 1.00 71.12 H new ATOM 0 HE3 LYS A 3 4.148 -5.555 -8.465 1.00 71.12 H new ATOM 0 HZ1 LYS A 3 4.941 -7.322 -7.034 1.00 22.25 H new ATOM 0 HZ2 LYS A 3 6.178 -6.188 -7.296 1.00 22.25 H new ATOM 0 HZ3 LYS A 3 5.343 -6.208 -5.817 1.00 22.25 H new ATOM 62 N GLY A 4 1.214 -0.981 -10.623 1.00 71.22 N ATOM 63 CA GLY A 4 0.372 -0.995 -11.805 1.00 33.10 C ATOM 64 C GLY A 4 1.059 -0.392 -13.014 1.00 12.42 C ATOM 65 O GLY A 4 2.149 0.171 -12.902 1.00 54.12 O ATOM 0 H GLY A 4 2.046 -0.396 -10.696 1.00 71.22 H new ATOM 0 HA2 GLY A 4 0.084 -2.022 -12.030 1.00 33.10 H new ATOM 0 HA3 GLY A 4 -0.546 -0.444 -11.600 1.00 33.10 H new ATOM 69 N THR A 5 0.422 -0.509 -14.175 1.00 31.11 N ATOM 70 CA THR A 5 0.980 0.027 -15.410 1.00 74.42 C ATOM 71 C THR A 5 0.633 1.502 -15.575 1.00 62.25 C ATOM 72 O THR A 5 -0.494 1.919 -15.307 1.00 45.24 O ATOM 73 CB THR A 5 0.470 -0.750 -16.639 1.00 43.54 C ATOM 74 OG1 THR A 5 -0.952 -0.624 -16.743 1.00 73.01 O ATOM 75 CG2 THR A 5 0.849 -2.220 -16.546 1.00 44.23 C ATOM 0 H THR A 5 -0.481 -0.970 -14.286 1.00 31.11 H new ATOM 0 HA THR A 5 2.062 -0.083 -15.343 1.00 74.42 H new ATOM 0 HB THR A 5 0.937 -0.327 -17.528 1.00 43.54 H new ATOM 0 HG1 THR A 5 -1.268 -1.119 -17.528 1.00 73.01 H new ATOM 0 HG21 THR A 5 0.478 -2.748 -17.425 1.00 44.23 H new ATOM 0 HG22 THR A 5 1.934 -2.314 -16.498 1.00 44.23 H new ATOM 0 HG23 THR A 5 0.407 -2.654 -15.649 1.00 44.23 H new ATOM 83 N VAL A 6 1.609 2.288 -16.019 1.00 71.03 N ATOM 84 CA VAL A 6 1.406 3.718 -16.222 1.00 63.53 C ATOM 85 C VAL A 6 0.758 3.994 -17.574 1.00 41.21 C ATOM 86 O VAL A 6 1.037 3.312 -18.560 1.00 50.04 O ATOM 87 CB VAL A 6 2.736 4.491 -16.135 1.00 35.23 C ATOM 88 CG1 VAL A 6 3.317 4.712 -17.523 1.00 1.23 C ATOM 89 CG2 VAL A 6 2.534 5.815 -15.414 1.00 43.44 C ATOM 0 H VAL A 6 2.548 1.959 -16.245 1.00 71.03 H new ATOM 0 HA VAL A 6 0.743 4.060 -15.428 1.00 63.53 H new ATOM 0 HB VAL A 6 3.447 3.896 -15.562 1.00 35.23 H new ATOM 0 HG11 VAL A 6 4.256 5.259 -17.441 1.00 1.23 H new ATOM 0 HG12 VAL A 6 3.499 3.748 -17.999 1.00 1.23 H new ATOM 0 HG13 VAL A 6 2.613 5.287 -18.125 1.00 1.23 H new ATOM 0 HG21 VAL A 6 3.483 6.349 -15.361 1.00 43.44 H new ATOM 0 HG22 VAL A 6 1.808 6.419 -15.958 1.00 43.44 H new ATOM 0 HG23 VAL A 6 2.166 5.628 -14.405 1.00 43.44 H new ATOM 99 N LYS A 7 -0.109 5.000 -17.613 1.00 42.35 N ATOM 100 CA LYS A 7 -0.797 5.370 -18.845 1.00 1.44 C ATOM 101 C LYS A 7 -0.124 6.570 -19.504 1.00 54.03 C ATOM 102 O LYS A 7 -0.141 6.708 -20.727 1.00 74.34 O ATOM 103 CB LYS A 7 -2.265 5.690 -18.556 1.00 13.40 C ATOM 104 CG LYS A 7 -3.152 5.643 -19.788 1.00 43.45 C ATOM 105 CD LYS A 7 -4.395 4.803 -19.549 1.00 51.35 C ATOM 106 CE LYS A 7 -5.512 5.626 -18.925 1.00 22.31 C ATOM 107 NZ LYS A 7 -6.089 6.601 -19.891 1.00 34.22 N ATOM 0 H LYS A 7 -0.352 5.574 -16.806 1.00 42.35 H new ATOM 0 HA LYS A 7 -0.744 4.524 -19.530 1.00 1.44 H new ATOM 0 HB2 LYS A 7 -2.644 4.982 -17.819 1.00 13.40 H new ATOM 0 HB3 LYS A 7 -2.331 6.682 -18.109 1.00 13.40 H new ATOM 0 HG2 LYS A 7 -3.444 6.656 -20.066 1.00 43.45 H new ATOM 0 HG3 LYS A 7 -2.590 5.232 -20.627 1.00 43.45 H new ATOM 0 HD2 LYS A 7 -4.737 4.380 -20.494 1.00 51.35 H new ATOM 0 HD3 LYS A 7 -4.150 3.966 -18.896 1.00 51.35 H new ATOM 0 HE2 LYS A 7 -6.298 4.960 -18.568 1.00 22.31 H new ATOM 0 HE3 LYS A 7 -5.128 6.160 -18.056 1.00 22.31 H new ATOM 0 HZ1 LYS A 7 -7.026 6.906 -19.558 1.00 34.22 H new ATOM 0 HZ2 LYS A 7 -5.462 7.427 -19.967 1.00 34.22 H new ATOM 0 HZ3 LYS A 7 -6.183 6.151 -20.824 1.00 34.22 H new ATOM 121 N TRP A 8 0.467 7.434 -18.687 1.00 65.43 N ATOM 122 CA TRP A 8 1.147 8.621 -19.193 1.00 22.03 C ATOM 123 C TRP A 8 1.833 9.379 -18.061 1.00 62.43 C ATOM 124 O TRP A 8 1.262 9.557 -16.985 1.00 44.22 O ATOM 125 CB TRP A 8 0.153 9.538 -19.907 1.00 71.54 C ATOM 126 CG TRP A 8 -0.624 10.414 -18.973 1.00 12.51 C ATOM 127 CD1 TRP A 8 -0.216 11.600 -18.432 1.00 11.04 C ATOM 128 CD2 TRP A 8 -1.942 10.174 -18.469 1.00 35.43 C ATOM 129 NE1 TRP A 8 -1.201 12.111 -17.621 1.00 73.32 N ATOM 130 CE2 TRP A 8 -2.271 11.255 -17.628 1.00 21.02 C ATOM 131 CE3 TRP A 8 -2.878 9.151 -18.647 1.00 51.13 C ATOM 132 CZ2 TRP A 8 -3.494 11.340 -16.968 1.00 21.41 C ATOM 133 CZ3 TRP A 8 -4.091 9.236 -17.991 1.00 53.54 C ATOM 134 CH2 TRP A 8 -4.391 10.324 -17.161 1.00 10.42 C ATOM 0 H TRP A 8 0.489 7.335 -17.672 1.00 65.43 H new ATOM 0 HA TRP A 8 1.908 8.298 -19.903 1.00 22.03 H new ATOM 0 HB2 TRP A 8 0.693 10.165 -20.617 1.00 71.54 H new ATOM 0 HB3 TRP A 8 -0.542 8.929 -20.485 1.00 71.54 H new ATOM 0 HD1 TRP A 8 0.740 12.068 -18.615 1.00 11.04 H new ATOM 0 HE1 TRP A 8 -1.145 12.985 -17.099 1.00 73.32 H new ATOM 0 HE3 TRP A 8 -2.657 8.309 -19.286 1.00 51.13 H new ATOM 0 HZ2 TRP A 8 -3.727 12.177 -16.327 1.00 21.41 H new ATOM 0 HZ3 TRP A 8 -4.820 8.450 -18.120 1.00 53.54 H new ATOM 0 HH2 TRP A 8 -5.349 10.362 -16.664 1.00 10.42 H new ATOM 145 N PHE A 9 3.061 9.822 -18.311 1.00 53.41 N ATOM 146 CA PHE A 9 3.825 10.561 -17.312 1.00 72.52 C ATOM 147 C PHE A 9 4.505 11.775 -17.936 1.00 41.44 C ATOM 148 O PHE A 9 5.563 11.659 -18.554 1.00 34.41 O ATOM 149 CB PHE A 9 4.872 9.651 -16.666 1.00 41.30 C ATOM 150 CG PHE A 9 5.893 10.396 -15.855 1.00 25.25 C ATOM 151 CD1 PHE A 9 5.591 10.845 -14.579 1.00 52.44 C ATOM 152 CD2 PHE A 9 7.156 10.646 -16.367 1.00 41.41 C ATOM 153 CE1 PHE A 9 6.529 11.531 -13.830 1.00 35.52 C ATOM 154 CE2 PHE A 9 8.098 11.331 -15.622 1.00 70.51 C ATOM 155 CZ PHE A 9 7.783 11.774 -14.352 1.00 44.24 C ATOM 0 H PHE A 9 3.548 9.682 -19.196 1.00 53.41 H new ATOM 0 HA PHE A 9 3.133 10.909 -16.545 1.00 72.52 H new ATOM 0 HB2 PHE A 9 4.368 8.928 -16.025 1.00 41.30 H new ATOM 0 HB3 PHE A 9 5.381 9.085 -17.446 1.00 41.30 H new ATOM 0 HD1 PHE A 9 4.611 10.657 -14.165 1.00 52.44 H new ATOM 0 HD2 PHE A 9 7.407 10.302 -17.359 1.00 41.41 H new ATOM 0 HE1 PHE A 9 6.280 11.876 -12.837 1.00 35.52 H new ATOM 0 HE2 PHE A 9 9.079 11.520 -16.032 1.00 70.51 H new ATOM 0 HZ PHE A 9 8.517 12.310 -13.769 1.00 44.24 H new ATOM 165 N ASN A 10 3.889 12.941 -17.770 1.00 40.45 N ATOM 166 CA ASN A 10 4.434 14.178 -18.318 1.00 53.42 C ATOM 167 C ASN A 10 5.710 14.582 -17.587 1.00 24.55 C ATOM 168 O ASN A 10 5.676 14.941 -16.410 1.00 65.11 O ATOM 169 CB ASN A 10 3.400 15.302 -18.221 1.00 2.31 C ATOM 170 CG ASN A 10 3.808 16.533 -19.008 1.00 71.54 C ATOM 171 OD1 ASN A 10 4.994 16.780 -19.223 1.00 45.45 O ATOM 172 ND2 ASN A 10 2.823 17.310 -19.442 1.00 50.34 N ATOM 0 H ASN A 10 3.013 13.055 -17.261 1.00 40.45 H new ATOM 0 HA ASN A 10 4.677 14.005 -19.366 1.00 53.42 H new ATOM 0 HB2 ASN A 10 2.439 14.941 -18.589 1.00 2.31 H new ATOM 0 HB3 ASN A 10 3.259 15.573 -17.175 1.00 2.31 H new ATOM 0 HD21 ASN A 10 3.036 18.152 -19.978 1.00 50.34 H new ATOM 0 HD22 ASN A 10 1.854 17.065 -19.240 1.00 50.34 H new ATOM 179 N ALA A 11 6.835 14.520 -18.292 1.00 71.41 N ATOM 180 CA ALA A 11 8.122 14.881 -17.711 1.00 61.51 C ATOM 181 C ALA A 11 8.347 16.388 -17.768 1.00 33.32 C ATOM 182 O ALA A 11 9.023 16.956 -16.911 1.00 64.34 O ATOM 183 CB ALA A 11 9.248 14.150 -18.428 1.00 20.24 C ATOM 0 H ALA A 11 6.881 14.223 -19.267 1.00 71.41 H new ATOM 0 HA ALA A 11 8.117 14.580 -16.663 1.00 61.51 H new ATOM 0 HB1 ALA A 11 10.204 14.429 -17.984 1.00 20.24 H new ATOM 0 HB2 ALA A 11 9.103 13.074 -18.331 1.00 20.24 H new ATOM 0 HB3 ALA A 11 9.245 14.423 -19.483 1.00 20.24 H new ATOM 189 N GLU A 12 7.775 17.029 -18.782 1.00 61.15 N ATOM 190 CA GLU A 12 7.915 18.471 -18.950 1.00 64.44 C ATOM 191 C GLU A 12 7.292 19.218 -17.775 1.00 41.43 C ATOM 192 O GLU A 12 7.941 20.047 -17.137 1.00 5.02 O ATOM 193 CB GLU A 12 7.262 18.920 -20.259 1.00 62.12 C ATOM 194 CG GLU A 12 7.196 20.429 -20.420 1.00 5.42 C ATOM 195 CD GLU A 12 7.243 20.864 -21.872 1.00 14.13 C ATOM 196 OE1 GLU A 12 8.229 20.530 -22.561 1.00 0.44 O ATOM 197 OE2 GLU A 12 6.291 21.538 -22.319 1.00 1.41 O ATOM 0 H GLU A 12 7.211 16.573 -19.499 1.00 61.15 H new ATOM 0 HA GLU A 12 8.979 18.706 -18.984 1.00 64.44 H new ATOM 0 HB2 GLU A 12 7.818 18.498 -21.096 1.00 62.12 H new ATOM 0 HB3 GLU A 12 6.252 18.513 -20.310 1.00 62.12 H new ATOM 0 HG2 GLU A 12 6.278 20.799 -19.963 1.00 5.42 H new ATOM 0 HG3 GLU A 12 8.027 20.885 -19.881 1.00 5.42 H new ATOM 204 N LYS A 13 6.028 18.920 -17.496 1.00 11.35 N ATOM 205 CA LYS A 13 5.315 19.562 -16.398 1.00 11.24 C ATOM 206 C LYS A 13 5.772 19.006 -15.053 1.00 21.11 C ATOM 207 O LYS A 13 5.790 19.718 -14.050 1.00 22.45 O ATOM 208 CB LYS A 13 3.806 19.364 -16.557 1.00 72.21 C ATOM 209 CG LYS A 13 3.228 20.052 -17.782 1.00 10.04 C ATOM 210 CD LYS A 13 2.751 21.458 -17.458 1.00 61.01 C ATOM 211 CE LYS A 13 1.406 21.441 -16.749 1.00 34.21 C ATOM 212 NZ LYS A 13 0.649 22.705 -16.964 1.00 1.30 N ATOM 0 H LYS A 13 5.476 18.238 -18.015 1.00 11.35 H new ATOM 0 HA LYS A 13 5.540 20.628 -16.426 1.00 11.24 H new ATOM 0 HB2 LYS A 13 3.592 18.297 -16.615 1.00 72.21 H new ATOM 0 HB3 LYS A 13 3.303 19.742 -15.667 1.00 72.21 H new ATOM 0 HG2 LYS A 13 3.983 20.095 -18.567 1.00 10.04 H new ATOM 0 HG3 LYS A 13 2.396 19.465 -18.172 1.00 10.04 H new ATOM 0 HD2 LYS A 13 3.488 21.958 -16.830 1.00 61.01 H new ATOM 0 HD3 LYS A 13 2.671 22.037 -18.378 1.00 61.01 H new ATOM 0 HE2 LYS A 13 0.816 20.599 -17.110 1.00 34.21 H new ATOM 0 HE3 LYS A 13 1.561 21.288 -15.681 1.00 34.21 H new ATOM 0 HZ1 LYS A 13 -0.262 22.653 -16.465 1.00 1.30 H new ATOM 0 HZ2 LYS A 13 1.200 23.507 -16.597 1.00 1.30 H new ATOM 0 HZ3 LYS A 13 0.479 22.839 -17.981 1.00 1.30 H new ATOM 226 N GLY A 14 6.142 17.729 -15.041 1.00 24.14 N ATOM 227 CA GLY A 14 6.596 17.100 -13.814 1.00 31.20 C ATOM 228 C GLY A 14 5.478 16.385 -13.081 1.00 61.35 C ATOM 229 O GLY A 14 5.488 16.296 -11.853 1.00 64.25 O ATOM 0 H GLY A 14 6.136 17.119 -15.858 1.00 24.14 H new ATOM 0 HA2 GLY A 14 7.388 16.388 -14.046 1.00 31.20 H new ATOM 0 HA3 GLY A 14 7.029 17.857 -13.160 1.00 31.20 H new ATOM 233 N TYR A 15 4.510 15.875 -13.835 1.00 64.13 N ATOM 234 CA TYR A 15 3.378 15.168 -13.250 1.00 32.52 C ATOM 235 C TYR A 15 3.006 13.948 -14.087 1.00 34.41 C ATOM 236 O TYR A 15 3.491 13.775 -15.204 1.00 41.41 O ATOM 237 CB TYR A 15 2.174 16.103 -13.128 1.00 34.35 C ATOM 238 CG TYR A 15 2.529 17.487 -12.633 1.00 23.50 C ATOM 239 CD1 TYR A 15 2.989 17.685 -11.337 1.00 14.43 C ATOM 240 CD2 TYR A 15 2.405 18.595 -13.461 1.00 43.12 C ATOM 241 CE1 TYR A 15 3.314 18.948 -10.880 1.00 42.01 C ATOM 242 CE2 TYR A 15 2.730 19.861 -13.014 1.00 20.03 C ATOM 243 CZ TYR A 15 3.184 20.032 -11.722 1.00 53.44 C ATOM 244 OH TYR A 15 3.507 21.292 -11.272 1.00 52.04 O ATOM 0 H TYR A 15 4.487 15.938 -14.853 1.00 64.13 H new ATOM 0 HA TYR A 15 3.669 14.829 -12.256 1.00 32.52 H new ATOM 0 HB2 TYR A 15 1.690 16.187 -14.101 1.00 34.35 H new ATOM 0 HB3 TYR A 15 1.447 15.659 -12.448 1.00 34.35 H new ATOM 0 HD1 TYR A 15 3.094 16.838 -10.676 1.00 14.43 H new ATOM 0 HD2 TYR A 15 2.048 18.465 -14.472 1.00 43.12 H new ATOM 0 HE1 TYR A 15 3.668 19.085 -9.869 1.00 42.01 H new ATOM 0 HE2 TYR A 15 2.629 20.712 -13.672 1.00 20.03 H new ATOM 0 HH TYR A 15 3.360 21.943 -11.989 1.00 52.04 H new ATOM 254 N GLY A 16 2.139 13.103 -13.537 1.00 74.40 N ATOM 255 CA GLY A 16 1.714 11.909 -14.246 1.00 4.34 C ATOM 256 C GLY A 16 0.631 11.150 -13.506 1.00 11.11 C ATOM 257 O GLY A 16 0.285 11.492 -12.375 1.00 21.23 O ATOM 0 H GLY A 16 1.723 13.224 -12.613 1.00 74.40 H new ATOM 0 HA2 GLY A 16 1.348 12.188 -15.234 1.00 4.34 H new ATOM 0 HA3 GLY A 16 2.573 11.255 -14.398 1.00 4.34 H new ATOM 261 N PHE A 17 0.092 10.118 -14.146 1.00 32.32 N ATOM 262 CA PHE A 17 -0.961 9.309 -13.542 1.00 53.43 C ATOM 263 C PHE A 17 -0.768 7.832 -13.870 1.00 23.34 C ATOM 264 O PHE A 17 -0.638 7.455 -15.035 1.00 4.12 O ATOM 265 CB PHE A 17 -2.334 9.776 -14.030 1.00 74.12 C ATOM 266 CG PHE A 17 -2.934 10.863 -13.184 1.00 63.15 C ATOM 267 CD1 PHE A 17 -2.517 12.177 -13.325 1.00 32.13 C ATOM 268 CD2 PHE A 17 -3.914 10.571 -12.250 1.00 23.23 C ATOM 269 CE1 PHE A 17 -3.067 13.179 -12.547 1.00 65.21 C ATOM 270 CE2 PHE A 17 -4.467 11.569 -11.469 1.00 70.45 C ATOM 271 CZ PHE A 17 -4.043 12.875 -11.619 1.00 74.53 C ATOM 0 H PHE A 17 0.367 9.822 -15.083 1.00 32.32 H new ATOM 0 HA PHE A 17 -0.905 9.433 -12.461 1.00 53.43 H new ATOM 0 HB2 PHE A 17 -2.244 10.133 -15.056 1.00 74.12 H new ATOM 0 HB3 PHE A 17 -3.013 8.924 -14.048 1.00 74.12 H new ATOM 0 HD1 PHE A 17 -1.755 12.421 -14.050 1.00 32.13 H new ATOM 0 HD2 PHE A 17 -4.250 9.552 -12.130 1.00 23.23 H new ATOM 0 HE1 PHE A 17 -2.733 14.199 -12.665 1.00 65.21 H new ATOM 0 HE2 PHE A 17 -5.229 11.328 -10.743 1.00 70.45 H new ATOM 0 HZ PHE A 17 -4.474 13.657 -11.011 1.00 74.53 H new ATOM 281 N ILE A 18 -0.749 7.000 -12.834 1.00 34.04 N ATOM 282 CA ILE A 18 -0.572 5.564 -13.010 1.00 73.04 C ATOM 283 C ILE A 18 -1.901 4.827 -12.884 1.00 20.53 C ATOM 284 O ILE A 18 -2.817 5.291 -12.205 1.00 62.32 O ATOM 285 CB ILE A 18 0.421 4.989 -11.984 1.00 23.40 C ATOM 286 CG1 ILE A 18 1.749 5.746 -12.047 1.00 2.21 C ATOM 287 CG2 ILE A 18 0.640 3.504 -12.233 1.00 70.22 C ATOM 288 CD1 ILE A 18 2.550 5.670 -10.766 1.00 32.32 C ATOM 0 H ILE A 18 -0.854 7.296 -11.864 1.00 34.04 H new ATOM 0 HA ILE A 18 -0.171 5.416 -14.013 1.00 73.04 H new ATOM 0 HB ILE A 18 0.001 5.112 -10.986 1.00 23.40 H new ATOM 0 HG12 ILE A 18 2.348 5.345 -12.865 1.00 2.21 H new ATOM 0 HG13 ILE A 18 1.551 6.792 -12.280 1.00 2.21 H new ATOM 0 HG21 ILE A 18 1.345 3.112 -11.499 1.00 70.22 H new ATOM 0 HG22 ILE A 18 -0.309 2.976 -12.143 1.00 70.22 H new ATOM 0 HG23 ILE A 18 1.042 3.359 -13.236 1.00 70.22 H new ATOM 0 HD11 ILE A 18 3.478 6.229 -10.884 1.00 32.32 H new ATOM 0 HD12 ILE A 18 1.970 6.098 -9.948 1.00 32.32 H new ATOM 0 HD13 ILE A 18 2.780 4.628 -10.542 1.00 32.32 H new ATOM 300 N GLN A 19 -1.997 3.675 -13.540 1.00 32.31 N ATOM 301 CA GLN A 19 -3.214 2.872 -13.499 1.00 40.33 C ATOM 302 C GLN A 19 -2.990 1.583 -12.716 1.00 62.24 C ATOM 303 O GLN A 19 -1.984 0.899 -12.905 1.00 75.43 O ATOM 304 CB GLN A 19 -3.683 2.546 -14.918 1.00 42.44 C ATOM 305 CG GLN A 19 -3.711 3.753 -15.842 1.00 43.41 C ATOM 306 CD GLN A 19 -4.332 4.973 -15.190 1.00 61.02 C ATOM 307 OE1 GLN A 19 -5.486 4.942 -14.763 1.00 14.50 O ATOM 308 NE2 GLN A 19 -3.567 6.056 -15.110 1.00 75.22 N ATOM 0 H GLN A 19 -1.247 3.277 -14.106 1.00 32.31 H new ATOM 0 HA GLN A 19 -3.985 3.453 -12.993 1.00 40.33 H new ATOM 0 HB2 GLN A 19 -3.026 1.788 -15.344 1.00 42.44 H new ATOM 0 HB3 GLN A 19 -4.682 2.112 -14.871 1.00 42.44 H new ATOM 0 HG2 GLN A 19 -2.694 3.991 -16.154 1.00 43.41 H new ATOM 0 HG3 GLN A 19 -4.271 3.503 -16.743 1.00 43.41 H new ATOM 0 HE21 GLN A 19 -2.616 6.037 -15.477 1.00 75.22 H new ATOM 0 HE22 GLN A 19 -3.931 6.907 -14.681 1.00 75.22 H new ATOM 317 N GLN A 20 -3.933 1.258 -11.838 1.00 4.34 N ATOM 318 CA GLN A 20 -3.836 0.051 -11.026 1.00 14.14 C ATOM 319 C GLN A 20 -5.130 -0.754 -11.092 1.00 61.32 C ATOM 320 O GLN A 20 -6.214 -0.193 -11.246 1.00 42.33 O ATOM 321 CB GLN A 20 -3.521 0.412 -9.573 1.00 64.10 C ATOM 322 CG GLN A 20 -2.341 -0.355 -8.998 1.00 63.13 C ATOM 323 CD GLN A 20 -2.718 -1.184 -7.786 1.00 41.22 C ATOM 324 OE1 GLN A 20 -3.449 -0.577 -6.858 1.00 34.54 O flip ATOM 325 NE2 GLN A 20 -2.356 -2.356 -7.685 1.00 62.22 N flip ATOM 0 H GLN A 20 -4.772 1.813 -11.671 1.00 4.34 H new ATOM 0 HA GLN A 20 -3.027 -0.561 -11.425 1.00 14.14 H new ATOM 0 HB2 GLN A 20 -3.315 1.480 -9.509 1.00 64.10 H new ATOM 0 HB3 GLN A 20 -4.402 0.220 -8.960 1.00 64.10 H new ATOM 0 HG2 GLN A 20 -1.928 -1.009 -9.766 1.00 63.13 H new ATOM 0 HG3 GLN A 20 -1.555 0.348 -8.722 1.00 63.13 H new ATOM 0 HE21 GLN A 20 -1.795 -2.782 -8.423 1.00 62.22 H new ATOM 0 HE22 GLN A 20 -2.617 -2.901 -6.864 1.00 62.22 H new ATOM 334 N GLU A 21 -5.007 -2.073 -10.975 1.00 50.23 N ATOM 335 CA GLU A 21 -6.167 -2.955 -11.024 1.00 13.33 C ATOM 336 C GLU A 21 -6.788 -3.113 -9.639 1.00 15.01 C ATOM 337 O GLU A 21 -7.846 -3.724 -9.488 1.00 62.15 O ATOM 338 CB GLU A 21 -5.771 -4.325 -11.577 1.00 32.33 C ATOM 339 CG GLU A 21 -5.078 -4.260 -12.927 1.00 5.40 C ATOM 340 CD GLU A 21 -4.948 -5.620 -13.583 1.00 71.52 C ATOM 341 OE1 GLU A 21 -4.808 -6.622 -12.851 1.00 4.01 O ATOM 342 OE2 GLU A 21 -4.988 -5.683 -14.830 1.00 22.30 O ATOM 0 H GLU A 21 -4.117 -2.553 -10.846 1.00 50.23 H new ATOM 0 HA GLU A 21 -6.907 -2.505 -11.686 1.00 13.33 H new ATOM 0 HB2 GLU A 21 -5.112 -4.819 -10.863 1.00 32.33 H new ATOM 0 HB3 GLU A 21 -6.664 -4.943 -11.666 1.00 32.33 H new ATOM 0 HG2 GLU A 21 -5.636 -3.595 -13.586 1.00 5.40 H new ATOM 0 HG3 GLU A 21 -4.086 -3.825 -12.801 1.00 5.40 H new ATOM 349 N GLU A 22 -6.123 -2.558 -8.631 1.00 44.00 N ATOM 350 CA GLU A 22 -6.609 -2.639 -7.259 1.00 3.14 C ATOM 351 C GLU A 22 -6.880 -1.247 -6.695 1.00 31.24 C ATOM 352 O GLU A 22 -7.395 -1.104 -5.587 1.00 33.13 O ATOM 353 CB GLU A 22 -5.594 -3.369 -6.377 1.00 22.51 C ATOM 354 CG GLU A 22 -4.891 -4.518 -7.081 1.00 71.00 C ATOM 355 CD GLU A 22 -4.075 -5.373 -6.131 1.00 33.20 C ATOM 356 OE1 GLU A 22 -4.666 -6.248 -5.464 1.00 4.14 O ATOM 357 OE2 GLU A 22 -2.846 -5.167 -6.055 1.00 62.15 O ATOM 0 H GLU A 22 -5.246 -2.048 -8.739 1.00 44.00 H new ATOM 0 HA GLU A 22 -7.544 -3.199 -7.265 1.00 3.14 H new ATOM 0 HB2 GLU A 22 -4.847 -2.655 -6.030 1.00 22.51 H new ATOM 0 HB3 GLU A 22 -6.103 -3.753 -5.493 1.00 22.51 H new ATOM 0 HG2 GLU A 22 -5.633 -5.142 -7.579 1.00 71.00 H new ATOM 0 HG3 GLU A 22 -4.238 -4.119 -7.857 1.00 71.00 H new ATOM 364 N GLY A 23 -6.528 -0.223 -7.466 1.00 74.15 N ATOM 365 CA GLY A 23 -6.741 1.144 -7.028 1.00 23.24 C ATOM 366 C GLY A 23 -6.081 2.156 -7.943 1.00 71.33 C ATOM 367 O GLY A 23 -5.050 2.743 -7.615 1.00 21.42 O ATOM 0 H GLY A 23 -6.099 -0.316 -8.387 1.00 74.15 H new ATOM 0 HA2 GLY A 23 -7.811 1.345 -6.982 1.00 23.24 H new ATOM 0 HA3 GLY A 23 -6.350 1.263 -6.017 1.00 23.24 H new ATOM 371 N PRO A 24 -6.681 2.371 -9.123 1.00 51.24 N ATOM 372 CA PRO A 24 -6.162 3.319 -10.114 1.00 62.52 C ATOM 373 C PRO A 24 -6.310 4.768 -9.664 1.00 24.24 C ATOM 374 O PRO A 24 -6.496 5.043 -8.478 1.00 41.33 O ATOM 375 CB PRO A 24 -7.027 3.051 -11.348 1.00 53.32 C ATOM 376 CG PRO A 24 -8.296 2.490 -10.806 1.00 74.13 C ATOM 377 CD PRO A 24 -7.913 1.707 -9.581 1.00 70.22 C ATOM 0 HA PRO A 24 -5.094 3.184 -10.287 1.00 62.52 H new ATOM 0 HB2 PRO A 24 -7.208 3.966 -11.911 1.00 53.32 H new ATOM 0 HB3 PRO A 24 -6.542 2.349 -12.027 1.00 53.32 H new ATOM 0 HG2 PRO A 24 -8.999 3.285 -10.557 1.00 74.13 H new ATOM 0 HG3 PRO A 24 -8.785 1.850 -11.541 1.00 74.13 H new ATOM 0 HD2 PRO A 24 -8.694 1.741 -8.822 1.00 70.22 H new ATOM 0 HD3 PRO A 24 -7.741 0.656 -9.813 1.00 70.22 H new ATOM 385 N ASP A 25 -6.226 5.690 -10.616 1.00 62.01 N ATOM 386 CA ASP A 25 -6.352 7.112 -10.317 1.00 61.30 C ATOM 387 C ASP A 25 -5.405 7.516 -9.192 1.00 1.44 C ATOM 388 O ASP A 25 -5.805 7.603 -8.031 1.00 23.15 O ATOM 389 CB ASP A 25 -7.794 7.448 -9.933 1.00 23.13 C ATOM 390 CG ASP A 25 -8.669 7.709 -11.142 1.00 74.14 C ATOM 391 OD1 ASP A 25 -8.578 8.816 -11.713 1.00 22.21 O ATOM 392 OD2 ASP A 25 -9.447 6.807 -11.518 1.00 71.41 O ATOM 0 H ASP A 25 -6.071 5.479 -11.602 1.00 62.01 H new ATOM 0 HA ASP A 25 -6.083 7.672 -11.212 1.00 61.30 H new ATOM 0 HB2 ASP A 25 -8.214 6.625 -9.355 1.00 23.13 H new ATOM 0 HB3 ASP A 25 -7.800 8.326 -9.288 1.00 23.13 H new ATOM 397 N VAL A 26 -4.147 7.762 -9.543 1.00 42.34 N ATOM 398 CA VAL A 26 -3.142 8.158 -8.563 1.00 73.34 C ATOM 399 C VAL A 26 -2.342 9.360 -9.051 1.00 52.31 C ATOM 400 O VAL A 26 -2.046 9.481 -10.240 1.00 4.41 O ATOM 401 CB VAL A 26 -2.173 7.001 -8.255 1.00 11.00 C ATOM 402 CG1 VAL A 26 -0.871 7.176 -9.022 1.00 75.23 C ATOM 403 CG2 VAL A 26 -1.912 6.910 -6.759 1.00 42.01 C ATOM 0 H VAL A 26 -3.799 7.694 -10.499 1.00 42.34 H new ATOM 0 HA VAL A 26 -3.677 8.427 -7.652 1.00 73.34 H new ATOM 0 HB VAL A 26 -2.634 6.068 -8.578 1.00 11.00 H new ATOM 0 HG11 VAL A 26 -0.199 6.349 -8.792 1.00 75.23 H new ATOM 0 HG12 VAL A 26 -1.078 7.188 -10.092 1.00 75.23 H new ATOM 0 HG13 VAL A 26 -0.402 8.116 -8.733 1.00 75.23 H new ATOM 0 HG21 VAL A 26 -1.225 6.087 -6.559 1.00 42.01 H new ATOM 0 HG22 VAL A 26 -1.472 7.844 -6.409 1.00 42.01 H new ATOM 0 HG23 VAL A 26 -2.852 6.734 -6.236 1.00 42.01 H new ATOM 413 N PHE A 27 -1.995 10.248 -8.125 1.00 62.12 N ATOM 414 CA PHE A 27 -1.229 11.442 -8.461 1.00 3.55 C ATOM 415 C PHE A 27 0.265 11.207 -8.253 1.00 74.00 C ATOM 416 O PHE A 27 0.708 10.900 -7.146 1.00 44.44 O ATOM 417 CB PHE A 27 -1.693 12.627 -7.610 1.00 44.03 C ATOM 418 CG PHE A 27 -1.744 13.924 -8.366 1.00 72.24 C ATOM 419 CD1 PHE A 27 -0.711 14.288 -9.215 1.00 73.10 C ATOM 420 CD2 PHE A 27 -2.826 14.779 -8.228 1.00 44.01 C ATOM 421 CE1 PHE A 27 -0.756 15.480 -9.913 1.00 2.34 C ATOM 422 CE2 PHE A 27 -2.876 15.972 -8.923 1.00 42.43 C ATOM 423 CZ PHE A 27 -1.839 16.324 -9.766 1.00 11.14 C ATOM 0 H PHE A 27 -2.232 10.163 -7.137 1.00 62.12 H new ATOM 0 HA PHE A 27 -1.400 11.669 -9.513 1.00 3.55 H new ATOM 0 HB2 PHE A 27 -2.683 12.410 -7.209 1.00 44.03 H new ATOM 0 HB3 PHE A 27 -1.021 12.738 -6.759 1.00 44.03 H new ATOM 0 HD1 PHE A 27 0.139 13.632 -9.333 1.00 73.10 H new ATOM 0 HD2 PHE A 27 -3.639 14.510 -7.570 1.00 44.01 H new ATOM 0 HE1 PHE A 27 0.055 15.751 -10.573 1.00 2.34 H new ATOM 0 HE2 PHE A 27 -3.725 16.629 -8.808 1.00 42.43 H new ATOM 0 HZ PHE A 27 -1.876 17.257 -10.309 1.00 11.14 H new ATOM 433 N VAL A 28 1.035 11.352 -9.326 1.00 43.14 N ATOM 434 CA VAL A 28 2.479 11.156 -9.263 1.00 53.03 C ATOM 435 C VAL A 28 3.220 12.325 -9.902 1.00 4.14 C ATOM 436 O VAL A 28 2.781 12.877 -10.911 1.00 33.21 O ATOM 437 CB VAL A 28 2.899 9.851 -9.965 1.00 70.01 C ATOM 438 CG1 VAL A 28 1.861 8.763 -9.736 1.00 20.01 C ATOM 439 CG2 VAL A 28 3.112 10.091 -11.452 1.00 43.01 C ATOM 0 H VAL A 28 0.684 11.605 -10.250 1.00 43.14 H new ATOM 0 HA VAL A 28 2.745 11.094 -8.208 1.00 53.03 H new ATOM 0 HB VAL A 28 3.843 9.515 -9.535 1.00 70.01 H new ATOM 0 HG11 VAL A 28 2.175 7.849 -10.239 1.00 20.01 H new ATOM 0 HG12 VAL A 28 1.763 8.573 -8.667 1.00 20.01 H new ATOM 0 HG13 VAL A 28 0.900 9.086 -10.137 1.00 20.01 H new ATOM 0 HG21 VAL A 28 3.408 9.158 -11.932 1.00 43.01 H new ATOM 0 HG22 VAL A 28 2.185 10.451 -11.899 1.00 43.01 H new ATOM 0 HG23 VAL A 28 3.895 10.836 -11.592 1.00 43.01 H new ATOM 449 N HIS A 29 4.349 12.698 -9.307 1.00 0.44 N ATOM 450 CA HIS A 29 5.154 13.802 -9.818 1.00 12.32 C ATOM 451 C HIS A 29 6.577 13.343 -10.119 1.00 23.01 C ATOM 452 O HIS A 29 7.044 12.340 -9.579 1.00 71.41 O ATOM 453 CB HIS A 29 5.179 14.952 -8.811 1.00 12.25 C ATOM 454 CG HIS A 29 3.836 15.267 -8.227 1.00 33.41 C ATOM 455 ND1 HIS A 29 3.666 15.755 -6.948 1.00 62.54 N ATOM 456 CD2 HIS A 29 2.594 15.162 -8.756 1.00 22.44 C ATOM 457 CE1 HIS A 29 2.378 15.934 -6.715 1.00 44.43 C ATOM 458 NE2 HIS A 29 1.706 15.582 -7.796 1.00 42.54 N ATOM 0 H HIS A 29 4.727 12.252 -8.471 1.00 0.44 H new ATOM 0 HA HIS A 29 4.700 14.151 -10.745 1.00 12.32 H new ATOM 0 HB2 HIS A 29 5.867 14.702 -8.004 1.00 12.25 H new ATOM 0 HB3 HIS A 29 5.571 15.844 -9.300 1.00 12.25 H new ATOM 0 HD2 HIS A 29 2.348 14.813 -9.748 1.00 22.44 H new ATOM 0 HE1 HIS A 29 1.948 16.305 -5.797 1.00 44.43 H new ATOM 0 HE2 HIS A 29 0.692 15.616 -7.901 1.00 42.54 H new ATOM 466 N PHE A 30 7.262 14.083 -10.984 1.00 41.14 N ATOM 467 CA PHE A 30 8.632 13.751 -11.359 1.00 32.24 C ATOM 468 C PHE A 30 9.529 13.675 -10.127 1.00 30.33 C ATOM 469 O PHE A 30 10.569 13.016 -10.141 1.00 64.01 O ATOM 470 CB PHE A 30 9.181 14.788 -12.340 1.00 52.30 C ATOM 471 CG PHE A 30 9.609 16.069 -11.682 1.00 33.23 C ATOM 472 CD1 PHE A 30 8.675 16.906 -11.093 1.00 20.15 C ATOM 473 CD2 PHE A 30 10.945 16.435 -11.652 1.00 54.44 C ATOM 474 CE1 PHE A 30 9.065 18.085 -10.485 1.00 63.25 C ATOM 475 CE2 PHE A 30 11.341 17.613 -11.046 1.00 72.35 C ATOM 476 CZ PHE A 30 10.400 18.439 -10.463 1.00 60.04 C ATOM 0 H PHE A 30 6.891 14.917 -11.439 1.00 41.14 H new ATOM 0 HA PHE A 30 8.623 12.774 -11.842 1.00 32.24 H new ATOM 0 HB2 PHE A 30 10.031 14.360 -12.871 1.00 52.30 H new ATOM 0 HB3 PHE A 30 8.418 15.010 -13.086 1.00 52.30 H new ATOM 0 HD1 PHE A 30 7.630 16.634 -11.109 1.00 20.15 H new ATOM 0 HD2 PHE A 30 11.685 15.793 -12.107 1.00 54.44 H new ATOM 0 HE1 PHE A 30 8.327 18.728 -10.028 1.00 63.25 H new ATOM 0 HE2 PHE A 30 12.385 17.887 -11.029 1.00 72.35 H new ATOM 0 HZ PHE A 30 10.708 19.360 -9.991 1.00 60.04 H new ATOM 486 N THR A 31 9.119 14.355 -9.060 1.00 71.43 N ATOM 487 CA THR A 31 9.885 14.366 -7.820 1.00 52.44 C ATOM 488 C THR A 31 9.384 13.299 -6.854 1.00 54.04 C ATOM 489 O THR A 31 9.639 13.367 -5.652 1.00 53.35 O ATOM 490 CB THR A 31 9.815 15.741 -7.130 1.00 15.52 C ATOM 491 OG1 THR A 31 10.699 15.770 -6.004 1.00 44.24 O ATOM 492 CG2 THR A 31 8.396 16.046 -6.674 1.00 14.04 C ATOM 0 H THR A 31 8.261 14.905 -9.030 1.00 71.43 H new ATOM 0 HA THR A 31 10.920 14.153 -8.086 1.00 52.44 H new ATOM 0 HB THR A 31 10.120 16.500 -7.851 1.00 15.52 H new ATOM 0 HG1 THR A 31 10.630 14.925 -5.512 1.00 44.24 H new ATOM 0 HG21 THR A 31 8.371 17.022 -6.190 1.00 14.04 H new ATOM 0 HG22 THR A 31 7.730 16.052 -7.537 1.00 14.04 H new ATOM 0 HG23 THR A 31 8.069 15.282 -5.968 1.00 14.04 H new ATOM 500 N ALA A 32 8.670 12.313 -7.388 1.00 32.03 N ATOM 501 CA ALA A 32 8.135 11.229 -6.572 1.00 43.44 C ATOM 502 C ALA A 32 8.671 9.879 -7.035 1.00 21.31 C ATOM 503 O ALA A 32 8.463 8.859 -6.376 1.00 3.51 O ATOM 504 CB ALA A 32 6.614 11.238 -6.614 1.00 44.31 C ATOM 0 H ALA A 32 8.449 12.242 -8.381 1.00 32.03 H new ATOM 0 HA ALA A 32 8.460 11.386 -5.543 1.00 43.44 H new ATOM 0 HB1 ALA A 32 6.228 10.424 -6.001 1.00 44.31 H new ATOM 0 HB2 ALA A 32 6.245 12.189 -6.229 1.00 44.31 H new ATOM 0 HB3 ALA A 32 6.278 11.108 -7.643 1.00 44.31 H new ATOM 510 N ILE A 33 9.360 9.878 -8.171 1.00 2.31 N ATOM 511 CA ILE A 33 9.926 8.652 -8.720 1.00 53.44 C ATOM 512 C ILE A 33 11.294 8.359 -8.115 1.00 62.22 C ATOM 513 O ILE A 33 12.159 9.232 -8.060 1.00 11.45 O ATOM 514 CB ILE A 33 10.061 8.732 -10.253 1.00 13.05 C ATOM 515 CG1 ILE A 33 8.682 8.864 -10.902 1.00 14.33 C ATOM 516 CG2 ILE A 33 10.787 7.506 -10.785 1.00 23.24 C ATOM 517 CD1 ILE A 33 8.279 10.296 -11.180 1.00 23.25 C ATOM 0 H ILE A 33 9.540 10.713 -8.729 1.00 2.31 H new ATOM 0 HA ILE A 33 9.239 7.845 -8.465 1.00 53.44 H new ATOM 0 HB ILE A 33 10.647 9.616 -10.506 1.00 13.05 H new ATOM 0 HG12 ILE A 33 8.675 8.305 -11.838 1.00 14.33 H new ATOM 0 HG13 ILE A 33 7.938 8.405 -10.251 1.00 14.33 H new ATOM 0 HG21 ILE A 33 10.875 7.577 -11.869 1.00 23.24 H new ATOM 0 HG22 ILE A 33 11.782 7.452 -10.343 1.00 23.24 H new ATOM 0 HG23 ILE A 33 10.225 6.609 -10.524 1.00 23.24 H new ATOM 0 HD11 ILE A 33 7.291 10.313 -11.640 1.00 23.25 H new ATOM 0 HD12 ILE A 33 8.253 10.855 -10.245 1.00 23.25 H new ATOM 0 HD13 ILE A 33 9.002 10.753 -11.856 1.00 23.25 H new ATOM 529 N GLU A 34 11.483 7.122 -7.665 1.00 2.42 N ATOM 530 CA GLU A 34 12.748 6.714 -7.065 1.00 32.33 C ATOM 531 C GLU A 34 13.432 5.645 -7.912 1.00 33.41 C ATOM 532 O GLU A 34 13.265 4.449 -7.674 1.00 61.33 O ATOM 533 CB GLU A 34 12.518 6.187 -5.647 1.00 20.43 C ATOM 534 CG GLU A 34 11.575 7.047 -4.823 1.00 1.23 C ATOM 535 CD GLU A 34 12.152 7.413 -3.469 1.00 11.20 C ATOM 536 OE1 GLU A 34 12.971 6.631 -2.943 1.00 32.44 O ATOM 537 OE2 GLU A 34 11.785 8.481 -2.936 1.00 72.00 O ATOM 0 H GLU A 34 10.777 6.386 -7.705 1.00 2.42 H new ATOM 0 HA GLU A 34 13.398 7.588 -7.020 1.00 32.33 H new ATOM 0 HB2 GLU A 34 12.116 5.175 -5.705 1.00 20.43 H new ATOM 0 HB3 GLU A 34 13.477 6.120 -5.133 1.00 20.43 H new ATOM 0 HG2 GLU A 34 11.345 7.959 -5.374 1.00 1.23 H new ATOM 0 HG3 GLU A 34 10.634 6.515 -4.681 1.00 1.23 H new ATOM 544 N ALA A 35 14.202 6.085 -8.902 1.00 15.24 N ATOM 545 CA ALA A 35 14.912 5.167 -9.783 1.00 51.54 C ATOM 546 C ALA A 35 16.416 5.415 -9.737 1.00 30.34 C ATOM 547 O ALA A 35 16.888 6.290 -9.011 1.00 24.10 O ATOM 548 CB ALA A 35 14.397 5.301 -11.209 1.00 64.21 C ATOM 0 H ALA A 35 14.350 7.072 -9.114 1.00 15.24 H new ATOM 0 HA ALA A 35 14.727 4.151 -9.435 1.00 51.54 H new ATOM 0 HB1 ALA A 35 14.936 4.610 -11.857 1.00 64.21 H new ATOM 0 HB2 ALA A 35 13.333 5.068 -11.235 1.00 64.21 H new ATOM 0 HB3 ALA A 35 14.553 6.322 -11.558 1.00 64.21 H new ATOM 554 N ASP A 36 17.163 4.638 -10.514 1.00 12.32 N ATOM 555 CA ASP A 36 18.614 4.774 -10.561 1.00 61.51 C ATOM 556 C ASP A 36 19.039 5.673 -11.718 1.00 34.20 C ATOM 557 O ASP A 36 19.539 5.197 -12.736 1.00 70.12 O ATOM 558 CB ASP A 36 19.271 3.399 -10.699 1.00 44.41 C ATOM 559 CG ASP A 36 19.539 2.748 -9.357 1.00 4.45 C ATOM 560 OD1 ASP A 36 18.622 2.737 -8.509 1.00 23.04 O ATOM 561 OD2 ASP A 36 20.666 2.249 -9.154 1.00 11.41 O ATOM 0 H ASP A 36 16.788 3.908 -11.119 1.00 12.32 H new ATOM 0 HA ASP A 36 18.942 5.234 -9.629 1.00 61.51 H new ATOM 0 HB2 ASP A 36 18.627 2.750 -11.292 1.00 44.41 H new ATOM 0 HB3 ASP A 36 20.210 3.501 -11.244 1.00 44.41 H new ATOM 566 N GLY A 37 18.834 6.976 -11.554 1.00 1.33 N ATOM 567 CA GLY A 37 19.200 7.921 -12.593 1.00 1.35 C ATOM 568 C GLY A 37 18.122 8.958 -12.839 1.00 61.02 C ATOM 569 O GLY A 37 17.788 9.741 -11.950 1.00 21.24 O ATOM 0 H GLY A 37 18.421 7.394 -10.720 1.00 1.33 H new ATOM 0 HA2 GLY A 37 20.126 8.423 -12.313 1.00 1.35 H new ATOM 0 HA3 GLY A 37 19.398 7.380 -13.519 1.00 1.35 H new ATOM 573 N PHE A 38 17.577 8.965 -14.051 1.00 51.51 N ATOM 574 CA PHE A 38 16.532 9.916 -14.413 1.00 70.04 C ATOM 575 C PHE A 38 15.188 9.498 -13.824 1.00 21.20 C ATOM 576 O PHE A 38 14.595 8.505 -14.246 1.00 52.35 O ATOM 577 CB PHE A 38 16.421 10.029 -15.935 1.00 61.23 C ATOM 578 CG PHE A 38 17.570 10.761 -16.567 1.00 63.35 C ATOM 579 CD1 PHE A 38 17.858 12.068 -16.209 1.00 31.32 C ATOM 580 CD2 PHE A 38 18.363 10.142 -17.521 1.00 33.32 C ATOM 581 CE1 PHE A 38 18.915 12.744 -16.788 1.00 40.03 C ATOM 582 CE2 PHE A 38 19.421 10.813 -18.103 1.00 63.23 C ATOM 583 CZ PHE A 38 19.697 12.116 -17.738 1.00 30.14 C ATOM 0 H PHE A 38 17.841 8.323 -14.799 1.00 51.51 H new ATOM 0 HA PHE A 38 16.802 10.889 -14.002 1.00 70.04 H new ATOM 0 HB2 PHE A 38 16.359 9.028 -16.362 1.00 61.23 H new ATOM 0 HB3 PHE A 38 15.492 10.541 -16.187 1.00 61.23 H new ATOM 0 HD1 PHE A 38 17.249 12.565 -15.468 1.00 31.32 H new ATOM 0 HD2 PHE A 38 18.151 9.124 -17.812 1.00 33.32 H new ATOM 0 HE1 PHE A 38 19.129 13.762 -16.498 1.00 40.03 H new ATOM 0 HE2 PHE A 38 20.032 10.319 -18.843 1.00 63.23 H new ATOM 0 HZ PHE A 38 20.522 12.643 -18.194 1.00 30.14 H new ATOM 593 N ARG A 39 14.715 10.262 -12.845 1.00 73.11 N ATOM 594 CA ARG A 39 13.442 9.970 -12.196 1.00 3.43 C ATOM 595 C ARG A 39 12.282 10.144 -13.171 1.00 52.40 C ATOM 596 O ARG A 39 11.867 11.266 -13.467 1.00 64.21 O ATOM 597 CB ARG A 39 13.244 10.881 -10.983 1.00 0.33 C ATOM 598 CG ARG A 39 14.117 10.512 -9.794 1.00 75.44 C ATOM 599 CD ARG A 39 15.502 11.128 -9.908 1.00 23.54 C ATOM 600 NE ARG A 39 16.276 10.965 -8.679 1.00 74.25 N ATOM 601 CZ ARG A 39 16.041 11.651 -7.567 1.00 11.32 C ATOM 602 NH1 ARG A 39 15.060 12.542 -7.528 1.00 54.10 N ATOM 603 NH2 ARG A 39 16.788 11.447 -6.490 1.00 22.15 N ATOM 0 H ARG A 39 15.193 11.087 -12.484 1.00 73.11 H new ATOM 0 HA ARG A 39 13.461 8.932 -11.864 1.00 3.43 H new ATOM 0 HB2 ARG A 39 13.457 11.910 -11.274 1.00 0.33 H new ATOM 0 HB3 ARG A 39 12.198 10.845 -10.680 1.00 0.33 H new ATOM 0 HG2 ARG A 39 13.642 10.850 -8.873 1.00 75.44 H new ATOM 0 HG3 ARG A 39 14.204 9.428 -9.728 1.00 75.44 H new ATOM 0 HD2 ARG A 39 16.037 10.666 -10.738 1.00 23.54 H new ATOM 0 HD3 ARG A 39 15.409 12.189 -10.140 1.00 23.54 H new ATOM 0 HE ARG A 39 17.038 10.287 -8.675 1.00 74.25 H new ATOM 0 HH11 ARG A 39 14.483 12.702 -8.354 1.00 54.10 H new ATOM 0 HH12 ARG A 39 14.882 13.067 -6.672 1.00 54.10 H new ATOM 0 HH21 ARG A 39 17.544 10.763 -6.516 1.00 22.15 H new ATOM 0 HH22 ARG A 39 16.607 11.975 -5.636 1.00 22.15 H new ATOM 617 N THR A 40 11.761 9.027 -13.668 1.00 52.05 N ATOM 618 CA THR A 40 10.650 9.055 -14.611 1.00 52.43 C ATOM 619 C THR A 40 10.194 7.645 -14.966 1.00 72.23 C ATOM 620 O THR A 40 10.939 6.679 -14.797 1.00 4.12 O ATOM 621 CB THR A 40 11.030 9.801 -15.905 1.00 34.42 C ATOM 622 OG1 THR A 40 10.024 9.593 -16.903 1.00 11.41 O ATOM 623 CG2 THR A 40 12.376 9.325 -16.428 1.00 63.51 C ATOM 0 H THR A 40 12.091 8.091 -13.433 1.00 52.05 H new ATOM 0 HA THR A 40 9.833 9.585 -14.121 1.00 52.43 H new ATOM 0 HB THR A 40 11.102 10.865 -15.678 1.00 34.42 H new ATOM 0 HG1 THR A 40 9.148 9.843 -16.542 1.00 11.41 H new ATOM 0 HG21 THR A 40 12.623 9.866 -17.342 1.00 63.51 H new ATOM 0 HG22 THR A 40 13.144 9.511 -15.677 1.00 63.51 H new ATOM 0 HG23 THR A 40 12.327 8.257 -16.640 1.00 63.51 H new ATOM 631 N LEU A 41 8.966 7.532 -15.460 1.00 73.11 N ATOM 632 CA LEU A 41 8.410 6.238 -15.840 1.00 71.23 C ATOM 633 C LEU A 41 8.301 6.116 -17.357 1.00 4.11 C ATOM 634 O LEU A 41 8.727 7.005 -18.093 1.00 4.23 O ATOM 635 CB LEU A 41 7.033 6.044 -15.202 1.00 4.41 C ATOM 636 CG LEU A 41 6.904 6.477 -13.741 1.00 41.31 C ATOM 637 CD1 LEU A 41 5.472 6.309 -13.259 1.00 74.02 C ATOM 638 CD2 LEU A 41 7.861 5.684 -12.863 1.00 71.01 C ATOM 0 H LEU A 41 8.336 8.321 -15.607 1.00 73.11 H new ATOM 0 HA LEU A 41 9.084 5.461 -15.478 1.00 71.23 H new ATOM 0 HB2 LEU A 41 6.301 6.597 -15.790 1.00 4.41 H new ATOM 0 HB3 LEU A 41 6.767 4.989 -15.272 1.00 4.41 H new ATOM 0 HG LEU A 41 7.168 7.532 -13.670 1.00 41.31 H new ATOM 0 HD11 LEU A 41 5.400 6.622 -12.217 1.00 74.02 H new ATOM 0 HD12 LEU A 41 4.808 6.922 -13.869 1.00 74.02 H new ATOM 0 HD13 LEU A 41 5.180 5.262 -13.344 1.00 74.02 H new ATOM 0 HD21 LEU A 41 7.755 6.006 -11.827 1.00 71.01 H new ATOM 0 HD22 LEU A 41 7.629 4.622 -12.939 1.00 71.01 H new ATOM 0 HD23 LEU A 41 8.885 5.856 -13.194 1.00 71.01 H new ATOM 650 N ASN A 42 7.726 5.010 -17.817 1.00 22.20 N ATOM 651 CA ASN A 42 7.560 4.773 -19.246 1.00 72.43 C ATOM 652 C ASN A 42 6.129 4.350 -19.565 1.00 13.43 C ATOM 653 O ASN A 42 5.596 3.423 -18.957 1.00 74.31 O ATOM 654 CB ASN A 42 8.539 3.698 -19.723 1.00 74.34 C ATOM 655 CG ASN A 42 9.972 4.008 -19.337 1.00 12.14 C ATOM 656 OD1 ASN A 42 10.593 4.916 -19.890 1.00 31.25 O ATOM 657 ND2 ASN A 42 10.504 3.253 -18.382 1.00 73.05 N ATOM 0 H ASN A 42 7.367 4.264 -17.221 1.00 22.20 H new ATOM 0 HA ASN A 42 7.770 5.705 -19.770 1.00 72.43 H new ATOM 0 HB2 ASN A 42 8.252 2.736 -19.300 1.00 74.34 H new ATOM 0 HB3 ASN A 42 8.470 3.603 -20.807 1.00 74.34 H new ATOM 0 HD21 ASN A 42 11.464 3.415 -18.079 1.00 73.05 H new ATOM 0 HD22 ASN A 42 9.952 2.511 -17.951 1.00 73.05 H new ATOM 664 N GLU A 43 5.514 5.038 -20.522 1.00 14.23 N ATOM 665 CA GLU A 43 4.144 4.734 -20.920 1.00 43.23 C ATOM 666 C GLU A 43 4.016 3.279 -21.361 1.00 23.22 C ATOM 667 O GLU A 43 4.705 2.834 -22.278 1.00 72.40 O ATOM 668 CB GLU A 43 3.701 5.662 -22.053 1.00 43.32 C ATOM 669 CG GLU A 43 2.315 5.348 -22.590 1.00 40.53 C ATOM 670 CD GLU A 43 1.994 6.114 -23.859 1.00 71.03 C ATOM 671 OE1 GLU A 43 2.925 6.701 -24.449 1.00 3.11 O ATOM 672 OE2 GLU A 43 0.812 6.126 -24.262 1.00 42.44 O ATOM 0 H GLU A 43 5.942 5.809 -21.035 1.00 14.23 H new ATOM 0 HA GLU A 43 3.498 4.892 -20.056 1.00 43.23 H new ATOM 0 HB2 GLU A 43 3.718 6.692 -21.696 1.00 43.32 H new ATOM 0 HB3 GLU A 43 4.421 5.595 -22.869 1.00 43.32 H new ATOM 0 HG2 GLU A 43 2.239 4.279 -22.787 1.00 40.53 H new ATOM 0 HG3 GLU A 43 1.572 5.586 -21.829 1.00 40.53 H new ATOM 679 N GLY A 44 3.129 2.542 -20.699 1.00 22.11 N ATOM 680 CA GLY A 44 2.927 1.145 -21.035 1.00 60.32 C ATOM 681 C GLY A 44 3.819 0.220 -20.231 1.00 61.22 C ATOM 682 O GLY A 44 3.847 -0.987 -20.470 1.00 3.03 O ATOM 0 H GLY A 44 2.547 2.888 -19.936 1.00 22.11 H new ATOM 0 HA2 GLY A 44 1.884 0.880 -20.862 1.00 60.32 H new ATOM 0 HA3 GLY A 44 3.121 0.998 -22.098 1.00 60.32 H new ATOM 686 N GLU A 45 4.551 0.787 -19.277 1.00 52.33 N ATOM 687 CA GLU A 45 5.450 0.004 -18.438 1.00 10.53 C ATOM 688 C GLU A 45 4.884 -0.149 -17.029 1.00 54.30 C ATOM 689 O GLU A 45 4.016 0.618 -16.610 1.00 34.30 O ATOM 690 CB GLU A 45 6.829 0.664 -18.376 1.00 3.02 C ATOM 691 CG GLU A 45 7.866 -0.162 -17.634 1.00 23.32 C ATOM 692 CD GLU A 45 9.272 0.062 -18.155 1.00 65.31 C ATOM 693 OE1 GLU A 45 9.504 -0.175 -19.359 1.00 42.20 O ATOM 694 OE2 GLU A 45 10.141 0.474 -17.358 1.00 63.01 O ATOM 0 H GLU A 45 4.539 1.785 -19.066 1.00 52.33 H new ATOM 0 HA GLU A 45 5.548 -0.987 -18.881 1.00 10.53 H new ATOM 0 HB2 GLU A 45 7.181 0.847 -19.391 1.00 3.02 H new ATOM 0 HB3 GLU A 45 6.736 1.636 -17.891 1.00 3.02 H new ATOM 0 HG2 GLU A 45 7.832 0.087 -16.573 1.00 23.32 H new ATOM 0 HG3 GLU A 45 7.614 -1.219 -17.722 1.00 23.32 H new ATOM 701 N HIS A 46 5.381 -1.145 -16.303 1.00 12.13 N ATOM 702 CA HIS A 46 4.925 -1.400 -14.941 1.00 10.42 C ATOM 703 C HIS A 46 5.764 -0.621 -13.932 1.00 41.54 C ATOM 704 O HIS A 46 6.975 -0.475 -14.098 1.00 23.33 O ATOM 705 CB HIS A 46 4.991 -2.895 -14.630 1.00 21.14 C ATOM 706 CG HIS A 46 4.558 -3.764 -15.770 1.00 43.12 C ATOM 707 ND1 HIS A 46 3.266 -4.222 -15.919 1.00 63.30 N ATOM 708 CD2 HIS A 46 5.254 -4.257 -16.821 1.00 42.34 C ATOM 709 CE1 HIS A 46 3.187 -4.961 -17.011 1.00 53.14 C ATOM 710 NE2 HIS A 46 4.379 -4.997 -17.578 1.00 24.23 N ATOM 0 H HIS A 46 6.099 -1.789 -16.635 1.00 12.13 H new ATOM 0 HA HIS A 46 3.891 -1.065 -14.862 1.00 10.42 H new ATOM 0 HB2 HIS A 46 6.013 -3.155 -14.353 1.00 21.14 H new ATOM 0 HB3 HIS A 46 4.363 -3.106 -13.764 1.00 21.14 H new ATOM 0 HD2 HIS A 46 6.302 -4.098 -17.026 1.00 42.34 H new ATOM 0 HE1 HIS A 46 2.298 -5.453 -17.378 1.00 53.14 H new ATOM 0 HE2 HIS A 46 4.612 -5.493 -18.438 1.00 24.23 H new ATOM 718 N VAL A 47 5.112 -0.120 -12.888 1.00 33.43 N ATOM 719 CA VAL A 47 5.797 0.644 -11.852 1.00 65.45 C ATOM 720 C VAL A 47 5.007 0.635 -10.549 1.00 2.22 C ATOM 721 O VAL A 47 3.781 0.733 -10.555 1.00 53.10 O ATOM 722 CB VAL A 47 6.028 2.102 -12.291 1.00 11.01 C ATOM 723 CG1 VAL A 47 7.235 2.199 -13.211 1.00 70.34 C ATOM 724 CG2 VAL A 47 4.784 2.657 -12.969 1.00 23.11 C ATOM 0 H VAL A 47 4.109 -0.230 -12.737 1.00 33.43 H new ATOM 0 HA VAL A 47 6.762 0.164 -11.690 1.00 65.45 H new ATOM 0 HB VAL A 47 6.229 2.702 -11.404 1.00 11.01 H new ATOM 0 HG11 VAL A 47 7.382 3.237 -13.510 1.00 70.34 H new ATOM 0 HG12 VAL A 47 8.122 1.844 -12.686 1.00 70.34 H new ATOM 0 HG13 VAL A 47 7.068 1.586 -14.097 1.00 70.34 H new ATOM 0 HG21 VAL A 47 4.965 3.688 -13.273 1.00 23.11 H new ATOM 0 HG22 VAL A 47 4.549 2.056 -13.847 1.00 23.11 H new ATOM 0 HG23 VAL A 47 3.946 2.625 -12.273 1.00 23.11 H new ATOM 734 N GLU A 48 5.719 0.518 -9.432 1.00 61.02 N ATOM 735 CA GLU A 48 5.083 0.497 -8.120 1.00 61.43 C ATOM 736 C GLU A 48 5.107 1.882 -7.481 1.00 41.23 C ATOM 737 O GLU A 48 6.166 2.494 -7.340 1.00 12.53 O ATOM 738 CB GLU A 48 5.783 -0.511 -7.206 1.00 2.11 C ATOM 739 CG GLU A 48 5.448 -0.333 -5.735 1.00 34.24 C ATOM 740 CD GLU A 48 6.117 -1.370 -4.854 1.00 62.42 C ATOM 741 OE1 GLU A 48 7.015 -2.081 -5.352 1.00 22.24 O ATOM 742 OE2 GLU A 48 5.743 -1.471 -3.667 1.00 13.31 O ATOM 0 H GLU A 48 6.735 0.436 -9.410 1.00 61.02 H new ATOM 0 HA GLU A 48 4.044 0.196 -8.253 1.00 61.43 H new ATOM 0 HB2 GLU A 48 5.507 -1.520 -7.513 1.00 2.11 H new ATOM 0 HB3 GLU A 48 6.861 -0.421 -7.338 1.00 2.11 H new ATOM 0 HG2 GLU A 48 5.755 0.663 -5.414 1.00 34.24 H new ATOM 0 HG3 GLU A 48 4.368 -0.392 -5.603 1.00 34.24 H new ATOM 749 N PHE A 49 3.932 2.371 -7.098 1.00 24.23 N ATOM 750 CA PHE A 49 3.817 3.684 -6.475 1.00 42.53 C ATOM 751 C PHE A 49 3.238 3.571 -5.068 1.00 71.32 C ATOM 752 O PHE A 49 2.376 2.732 -4.807 1.00 63.11 O ATOM 753 CB PHE A 49 2.938 4.601 -7.328 1.00 40.24 C ATOM 754 CG PHE A 49 1.636 3.974 -7.736 1.00 34.34 C ATOM 755 CD1 PHE A 49 1.573 3.120 -8.825 1.00 44.13 C ATOM 756 CD2 PHE A 49 0.474 4.237 -7.028 1.00 75.14 C ATOM 757 CE1 PHE A 49 0.376 2.542 -9.202 1.00 40.14 C ATOM 758 CE2 PHE A 49 -0.727 3.661 -7.401 1.00 2.44 C ATOM 759 CZ PHE A 49 -0.775 2.812 -8.489 1.00 12.15 C ATOM 0 H PHE A 49 3.046 1.877 -7.208 1.00 24.23 H new ATOM 0 HA PHE A 49 4.817 4.113 -6.403 1.00 42.53 H new ATOM 0 HB2 PHE A 49 2.733 5.515 -6.771 1.00 40.24 H new ATOM 0 HB3 PHE A 49 3.489 4.890 -8.223 1.00 40.24 H new ATOM 0 HD1 PHE A 49 2.470 2.903 -9.386 1.00 44.13 H new ATOM 0 HD2 PHE A 49 0.507 4.899 -6.175 1.00 75.14 H new ATOM 0 HE1 PHE A 49 0.341 1.879 -10.054 1.00 40.14 H new ATOM 0 HE2 PHE A 49 -1.626 3.875 -6.842 1.00 2.44 H new ATOM 0 HZ PHE A 49 -1.711 2.360 -8.782 1.00 12.15 H new ATOM 769 N GLU A 50 3.719 4.421 -4.166 1.00 75.22 N ATOM 770 CA GLU A 50 3.249 4.415 -2.786 1.00 24.45 C ATOM 771 C GLU A 50 2.274 5.562 -2.537 1.00 64.10 C ATOM 772 O GLU A 50 2.683 6.699 -2.301 1.00 63.11 O ATOM 773 CB GLU A 50 4.433 4.518 -1.821 1.00 52.40 C ATOM 774 CG GLU A 50 4.506 3.376 -0.822 1.00 33.10 C ATOM 775 CD GLU A 50 4.811 3.850 0.586 1.00 52.35 C ATOM 776 OE1 GLU A 50 4.294 4.917 0.978 1.00 74.10 O ATOM 777 OE2 GLU A 50 5.567 3.154 1.295 1.00 62.03 O ATOM 0 H GLU A 50 4.433 5.122 -4.366 1.00 75.22 H new ATOM 0 HA GLU A 50 2.727 3.474 -2.611 1.00 24.45 H new ATOM 0 HB2 GLU A 50 5.358 4.546 -2.396 1.00 52.40 H new ATOM 0 HB3 GLU A 50 4.367 5.461 -1.278 1.00 52.40 H new ATOM 0 HG2 GLU A 50 3.559 2.837 -0.822 1.00 33.10 H new ATOM 0 HG3 GLU A 50 5.274 2.670 -1.138 1.00 33.10 H new ATOM 784 N VAL A 51 0.982 5.255 -2.592 1.00 42.04 N ATOM 785 CA VAL A 51 -0.052 6.259 -2.373 1.00 50.01 C ATOM 786 C VAL A 51 0.040 6.845 -0.968 1.00 74.45 C ATOM 787 O VAL A 51 -0.108 6.130 0.023 1.00 44.43 O ATOM 788 CB VAL A 51 -1.460 5.669 -2.581 1.00 3.42 C ATOM 789 CG1 VAL A 51 -1.664 5.273 -4.035 1.00 44.32 C ATOM 790 CG2 VAL A 51 -1.679 4.479 -1.660 1.00 35.14 C ATOM 0 H VAL A 51 0.627 4.319 -2.786 1.00 42.04 H new ATOM 0 HA VAL A 51 0.114 7.050 -3.105 1.00 50.01 H new ATOM 0 HB VAL A 51 -2.196 6.433 -2.332 1.00 3.42 H new ATOM 0 HG11 VAL A 51 -2.664 4.858 -4.162 1.00 44.32 H new ATOM 0 HG12 VAL A 51 -1.552 6.151 -4.671 1.00 44.32 H new ATOM 0 HG13 VAL A 51 -0.923 4.525 -4.316 1.00 44.32 H new ATOM 0 HG21 VAL A 51 -2.678 4.074 -1.820 1.00 35.14 H new ATOM 0 HG22 VAL A 51 -0.937 3.710 -1.876 1.00 35.14 H new ATOM 0 HG23 VAL A 51 -1.579 4.798 -0.623 1.00 35.14 H new ATOM 800 N GLU A 52 0.283 8.149 -0.892 1.00 1.22 N ATOM 801 CA GLU A 52 0.395 8.831 0.393 1.00 74.44 C ATOM 802 C GLU A 52 -0.828 9.706 0.652 1.00 41.42 C ATOM 803 O GLU A 52 -1.527 10.129 -0.270 1.00 31.45 O ATOM 804 CB GLU A 52 1.664 9.683 0.434 1.00 4.32 C ATOM 805 CG GLU A 52 2.741 9.128 1.352 1.00 72.24 C ATOM 806 CD GLU A 52 2.807 7.613 1.323 1.00 13.14 C ATOM 807 OE1 GLU A 52 2.617 7.032 0.234 1.00 23.12 O ATOM 808 OE2 GLU A 52 3.047 7.009 2.389 1.00 1.14 O ATOM 0 H GLU A 52 0.406 8.754 -1.704 1.00 1.22 H new ATOM 0 HA GLU A 52 0.450 8.073 1.175 1.00 74.44 H new ATOM 0 HB2 GLU A 52 2.067 9.768 -0.575 1.00 4.32 H new ATOM 0 HB3 GLU A 52 1.405 10.690 0.760 1.00 4.32 H new ATOM 0 HG2 GLU A 52 3.708 9.536 1.059 1.00 72.24 H new ATOM 0 HG3 GLU A 52 2.550 9.460 2.372 1.00 72.24 H new ATOM 815 N PRO A 53 -1.093 9.986 1.936 1.00 33.05 N ATOM 816 CA PRO A 53 -2.231 10.813 2.348 1.00 53.52 C ATOM 817 C PRO A 53 -2.051 12.278 1.964 1.00 15.32 C ATOM 818 O PRO A 53 -2.463 12.703 0.885 1.00 32.44 O ATOM 819 CB PRO A 53 -2.251 10.658 3.870 1.00 21.15 C ATOM 820 CG PRO A 53 -0.846 10.320 4.235 1.00 55.21 C ATOM 821 CD PRO A 53 -0.303 9.516 3.086 1.00 5.34 C ATOM 0 HA PRO A 53 -3.157 10.503 1.863 1.00 53.52 H new ATOM 0 HB2 PRO A 53 -2.576 11.577 4.357 1.00 21.15 H new ATOM 0 HB3 PRO A 53 -2.940 9.872 4.179 1.00 21.15 H new ATOM 0 HG2 PRO A 53 -0.256 11.223 4.393 1.00 55.21 H new ATOM 0 HG3 PRO A 53 -0.810 9.749 5.163 1.00 55.21 H new ATOM 0 HD2 PRO A 53 0.763 9.693 2.940 1.00 5.34 H new ATOM 0 HD3 PRO A 53 -0.429 8.446 3.250 1.00 5.34 H new ATOM 829 N GLY A 54 -1.433 13.047 2.855 1.00 0.35 N ATOM 830 CA GLY A 54 -1.209 14.457 2.591 1.00 34.41 C ATOM 831 C GLY A 54 -0.053 14.692 1.639 1.00 34.42 C ATOM 832 O GLY A 54 0.895 15.404 1.968 1.00 40.41 O ATOM 0 H GLY A 54 -1.083 12.719 3.755 1.00 0.35 H new ATOM 0 HA2 GLY A 54 -2.115 14.893 2.172 1.00 34.41 H new ATOM 0 HA3 GLY A 54 -1.012 14.973 3.531 1.00 34.41 H new ATOM 836 N ARG A 55 -0.131 14.090 0.457 1.00 61.13 N ATOM 837 CA ARG A 55 0.919 14.235 -0.545 1.00 12.24 C ATOM 838 C ARG A 55 0.325 14.563 -1.911 1.00 53.33 C ATOM 839 O ARG A 55 0.847 15.405 -2.641 1.00 24.31 O ATOM 840 CB ARG A 55 1.750 12.954 -0.632 1.00 42.03 C ATOM 841 CG ARG A 55 2.796 12.830 0.464 1.00 51.43 C ATOM 842 CD ARG A 55 3.932 13.821 0.264 1.00 64.23 C ATOM 843 NE ARG A 55 4.718 14.006 1.481 1.00 71.21 N ATOM 844 CZ ARG A 55 5.759 14.827 1.566 1.00 32.42 C ATOM 845 NH1 ARG A 55 6.137 15.535 0.511 1.00 21.40 N ATOM 846 NH2 ARG A 55 6.423 14.941 2.709 1.00 24.30 N ATOM 0 H ARG A 55 -0.910 13.497 0.169 1.00 61.13 H new ATOM 0 HA ARG A 55 1.565 15.059 -0.242 1.00 12.24 H new ATOM 0 HB2 ARG A 55 1.082 12.094 -0.584 1.00 42.03 H new ATOM 0 HB3 ARG A 55 2.246 12.918 -1.602 1.00 42.03 H new ATOM 0 HG2 ARG A 55 2.330 13.000 1.434 1.00 51.43 H new ATOM 0 HG3 ARG A 55 3.194 11.815 0.475 1.00 51.43 H new ATOM 0 HD2 ARG A 55 4.582 13.470 -0.537 1.00 64.23 H new ATOM 0 HD3 ARG A 55 3.524 14.781 -0.053 1.00 64.23 H new ATOM 0 HE ARG A 55 4.453 13.476 2.311 1.00 71.21 H new ATOM 0 HH11 ARG A 55 5.628 15.450 -0.369 1.00 21.40 H new ATOM 0 HH12 ARG A 55 6.937 16.165 0.579 1.00 21.40 H new ATOM 0 HH21 ARG A 55 6.134 14.398 3.523 1.00 24.30 H new ATOM 0 HH22 ARG A 55 7.222 15.571 2.774 1.00 24.30 H new ATOM 860 N GLY A 56 -0.772 13.892 -2.251 1.00 65.12 N ATOM 861 CA GLY A 56 -1.418 14.125 -3.529 1.00 51.53 C ATOM 862 C GLY A 56 -2.500 15.184 -3.447 1.00 5.40 C ATOM 863 O GLY A 56 -3.322 15.172 -2.533 1.00 34.44 O ATOM 0 H GLY A 56 -1.224 13.191 -1.664 1.00 65.12 H new ATOM 0 HA2 GLY A 56 -0.670 14.430 -4.261 1.00 51.53 H new ATOM 0 HA3 GLY A 56 -1.853 13.192 -3.888 1.00 51.53 H new ATOM 867 N GLY A 57 -2.497 16.106 -4.405 1.00 55.23 N ATOM 868 CA GLY A 57 -3.489 17.166 -4.418 1.00 33.52 C ATOM 869 C GLY A 57 -4.897 16.644 -4.209 1.00 52.12 C ATOM 870 O GLY A 57 -5.740 17.326 -3.625 1.00 70.42 O ATOM 0 H GLY A 57 -1.826 16.138 -5.172 1.00 55.23 H new ATOM 0 HA2 GLY A 57 -3.253 17.890 -3.638 1.00 33.52 H new ATOM 0 HA3 GLY A 57 -3.438 17.695 -5.369 1.00 33.52 H new ATOM 874 N LYS A 58 -5.155 15.432 -4.689 1.00 44.00 N ATOM 875 CA LYS A 58 -6.470 14.818 -4.553 1.00 52.43 C ATOM 876 C LYS A 58 -6.498 13.844 -3.380 1.00 64.22 C ATOM 877 O LYS A 58 -7.558 13.549 -2.830 1.00 42.10 O ATOM 878 CB LYS A 58 -6.852 14.090 -5.844 1.00 43.21 C ATOM 879 CG LYS A 58 -7.543 14.980 -6.863 1.00 33.34 C ATOM 880 CD LYS A 58 -6.564 15.507 -7.898 1.00 54.31 C ATOM 881 CE LYS A 58 -6.311 14.486 -8.997 1.00 2.25 C ATOM 882 NZ LYS A 58 -7.324 14.579 -10.084 1.00 65.24 N ATOM 0 H LYS A 58 -4.469 14.855 -5.176 1.00 44.00 H new ATOM 0 HA LYS A 58 -7.194 15.610 -4.362 1.00 52.43 H new ATOM 0 HB2 LYS A 58 -5.953 13.668 -6.293 1.00 43.21 H new ATOM 0 HB3 LYS A 58 -7.508 13.255 -5.600 1.00 43.21 H new ATOM 0 HG2 LYS A 58 -8.333 14.418 -7.361 1.00 33.34 H new ATOM 0 HG3 LYS A 58 -8.020 15.817 -6.353 1.00 33.34 H new ATOM 0 HD2 LYS A 58 -6.955 16.425 -8.336 1.00 54.31 H new ATOM 0 HD3 LYS A 58 -5.622 15.762 -7.413 1.00 54.31 H new ATOM 0 HE2 LYS A 58 -5.316 14.640 -9.414 1.00 2.25 H new ATOM 0 HE3 LYS A 58 -6.326 13.483 -8.571 1.00 2.25 H new ATOM 0 HZ1 LYS A 58 -7.117 13.867 -10.813 1.00 65.24 H new ATOM 0 HZ2 LYS A 58 -8.271 14.407 -9.691 1.00 65.24 H new ATOM 0 HZ3 LYS A 58 -7.292 15.528 -10.508 1.00 65.24 H new ATOM 896 N GLY A 59 -5.324 13.347 -3.001 1.00 43.43 N ATOM 897 CA GLY A 59 -5.236 12.412 -1.895 1.00 1.51 C ATOM 898 C GLY A 59 -4.074 11.450 -2.040 1.00 72.31 C ATOM 899 O GLY A 59 -2.947 11.737 -1.636 1.00 53.52 O ATOM 0 H GLY A 59 -4.432 13.576 -3.441 1.00 43.43 H new ATOM 0 HA2 GLY A 59 -5.131 12.966 -0.962 1.00 1.51 H new ATOM 0 HA3 GLY A 59 -6.165 11.847 -1.826 1.00 1.51 H new ATOM 903 N PRO A 60 -4.344 10.275 -2.628 1.00 72.21 N ATOM 904 CA PRO A 60 -3.325 9.242 -2.838 1.00 34.10 C ATOM 905 C PRO A 60 -2.300 9.645 -3.892 1.00 23.01 C ATOM 906 O PRO A 60 -2.640 9.839 -5.059 1.00 24.34 O ATOM 907 CB PRO A 60 -4.137 8.035 -3.316 1.00 1.13 C ATOM 908 CG PRO A 60 -5.364 8.621 -3.924 1.00 33.32 C ATOM 909 CD PRO A 60 -5.665 9.864 -3.134 1.00 1.41 C ATOM 0 HA PRO A 60 -2.745 9.052 -1.935 1.00 34.10 H new ATOM 0 HB2 PRO A 60 -3.578 7.445 -4.042 1.00 1.13 H new ATOM 0 HB3 PRO A 60 -4.384 7.371 -2.488 1.00 1.13 H new ATOM 0 HG2 PRO A 60 -5.204 8.857 -4.976 1.00 33.32 H new ATOM 0 HG3 PRO A 60 -6.196 7.918 -3.878 1.00 33.32 H new ATOM 0 HD2 PRO A 60 -6.115 10.637 -3.757 1.00 1.41 H new ATOM 0 HD3 PRO A 60 -6.363 9.664 -2.321 1.00 1.41 H new ATOM 917 N GLN A 61 -1.045 9.769 -3.473 1.00 24.15 N ATOM 918 CA GLN A 61 0.030 10.149 -4.382 1.00 0.33 C ATOM 919 C GLN A 61 1.113 9.077 -4.423 1.00 64.41 C ATOM 920 O GLN A 61 1.250 8.282 -3.493 1.00 55.13 O ATOM 921 CB GLN A 61 0.637 11.488 -3.956 1.00 73.53 C ATOM 922 CG GLN A 61 2.077 11.673 -4.406 1.00 21.35 C ATOM 923 CD GLN A 61 2.591 13.077 -4.154 1.00 71.41 C ATOM 924 OE1 GLN A 61 1.961 14.060 -4.545 1.00 32.15 O ATOM 925 NE2 GLN A 61 3.741 13.178 -3.499 1.00 23.23 N ATOM 0 H GLN A 61 -0.747 9.612 -2.510 1.00 24.15 H new ATOM 0 HA GLN A 61 -0.393 10.251 -5.382 1.00 0.33 H new ATOM 0 HB2 GLN A 61 0.031 12.298 -4.362 1.00 73.53 H new ATOM 0 HB3 GLN A 61 0.591 11.569 -2.870 1.00 73.53 H new ATOM 0 HG2 GLN A 61 2.712 10.958 -3.883 1.00 21.35 H new ATOM 0 HG3 GLN A 61 2.153 11.448 -5.470 1.00 21.35 H new ATOM 0 HE21 GLN A 61 4.229 12.336 -3.193 1.00 23.23 H new ATOM 0 HE22 GLN A 61 4.136 14.097 -3.301 1.00 23.23 H new ATOM 934 N ALA A 62 1.881 9.060 -5.508 1.00 25.15 N ATOM 935 CA ALA A 62 2.954 8.086 -5.669 1.00 72.12 C ATOM 936 C ALA A 62 4.185 8.486 -4.863 1.00 51.13 C ATOM 937 O ALA A 62 5.280 8.621 -5.409 1.00 24.20 O ATOM 938 CB ALA A 62 3.310 7.933 -7.140 1.00 64.14 C ATOM 0 H ALA A 62 1.780 9.709 -6.288 1.00 25.15 H new ATOM 0 HA ALA A 62 2.601 7.127 -5.290 1.00 72.12 H new ATOM 0 HB1 ALA A 62 4.112 7.203 -7.246 1.00 64.14 H new ATOM 0 HB2 ALA A 62 2.434 7.593 -7.693 1.00 64.14 H new ATOM 0 HB3 ALA A 62 3.639 8.894 -7.537 1.00 64.14 H new ATOM 944 N LYS A 63 3.998 8.676 -3.562 1.00 22.24 N ATOM 945 CA LYS A 63 5.093 9.060 -2.679 1.00 44.31 C ATOM 946 C LYS A 63 6.369 8.301 -3.032 1.00 14.40 C ATOM 947 O LYS A 63 7.447 8.888 -3.123 1.00 25.42 O ATOM 948 CB LYS A 63 4.717 8.795 -1.220 1.00 13.03 C ATOM 949 CG LYS A 63 5.905 8.801 -0.274 1.00 43.10 C ATOM 950 CD LYS A 63 6.674 10.109 -0.354 1.00 5.25 C ATOM 951 CE LYS A 63 5.838 11.279 0.142 1.00 74.25 C ATOM 952 NZ LYS A 63 5.550 11.177 1.599 1.00 14.10 N ATOM 0 H LYS A 63 3.097 8.570 -3.095 1.00 22.24 H new ATOM 0 HA LYS A 63 5.276 10.126 -2.812 1.00 44.31 H new ATOM 0 HB2 LYS A 63 4.001 9.550 -0.895 1.00 13.03 H new ATOM 0 HB3 LYS A 63 4.215 7.830 -1.153 1.00 13.03 H new ATOM 0 HG2 LYS A 63 5.559 8.643 0.747 1.00 43.10 H new ATOM 0 HG3 LYS A 63 6.569 7.972 -0.517 1.00 43.10 H new ATOM 0 HD2 LYS A 63 7.585 10.034 0.240 1.00 5.25 H new ATOM 0 HD3 LYS A 63 6.980 10.290 -1.384 1.00 5.25 H new ATOM 0 HE2 LYS A 63 6.364 12.212 -0.060 1.00 74.25 H new ATOM 0 HE3 LYS A 63 4.900 11.316 -0.412 1.00 74.25 H new ATOM 0 HZ1 LYS A 63 4.522 11.207 1.753 1.00 14.10 H new ATOM 0 HZ2 LYS A 63 5.929 10.281 1.966 1.00 14.10 H new ATOM 0 HZ3 LYS A 63 5.998 11.972 2.098 1.00 14.10 H new ATOM 966 N LYS A 64 6.238 6.994 -3.232 1.00 13.35 N ATOM 967 CA LYS A 64 7.378 6.155 -3.578 1.00 25.44 C ATOM 968 C LYS A 64 7.100 5.354 -4.846 1.00 2.40 C ATOM 969 O LYS A 64 6.339 4.387 -4.827 1.00 52.12 O ATOM 970 CB LYS A 64 7.707 5.204 -2.424 1.00 11.20 C ATOM 971 CG LYS A 64 9.176 5.201 -2.038 1.00 60.54 C ATOM 972 CD LYS A 64 9.468 4.165 -0.966 1.00 24.14 C ATOM 973 CE LYS A 64 10.954 4.100 -0.644 1.00 74.40 C ATOM 974 NZ LYS A 64 11.418 5.314 0.081 1.00 1.52 N ATOM 0 H LYS A 64 5.352 6.493 -3.160 1.00 13.35 H new ATOM 0 HA LYS A 64 8.233 6.806 -3.760 1.00 25.44 H new ATOM 0 HB2 LYS A 64 7.112 5.482 -1.554 1.00 11.20 H new ATOM 0 HB3 LYS A 64 7.411 4.193 -2.702 1.00 11.20 H new ATOM 0 HG2 LYS A 64 9.784 4.996 -2.919 1.00 60.54 H new ATOM 0 HG3 LYS A 64 9.460 6.189 -1.677 1.00 60.54 H new ATOM 0 HD2 LYS A 64 8.909 4.407 -0.062 1.00 24.14 H new ATOM 0 HD3 LYS A 64 9.124 3.186 -1.301 1.00 24.14 H new ATOM 0 HE2 LYS A 64 11.156 3.216 -0.039 1.00 74.40 H new ATOM 0 HE3 LYS A 64 11.521 3.990 -1.568 1.00 74.40 H new ATOM 0 HZ1 LYS A 64 12.427 5.216 0.312 1.00 1.52 H new ATOM 0 HZ2 LYS A 64 11.280 6.151 -0.520 1.00 1.52 H new ATOM 0 HZ3 LYS A 64 10.871 5.424 0.959 1.00 1.52 H new ATOM 988 N VAL A 65 7.723 5.763 -5.947 1.00 0.21 N ATOM 989 CA VAL A 65 7.544 5.083 -7.224 1.00 23.42 C ATOM 990 C VAL A 65 8.774 4.256 -7.583 1.00 32.23 C ATOM 991 O VAL A 65 9.906 4.667 -7.331 1.00 4.35 O ATOM 992 CB VAL A 65 7.264 6.085 -8.359 1.00 74.54 C ATOM 993 CG1 VAL A 65 8.162 5.803 -9.554 1.00 43.50 C ATOM 994 CG2 VAL A 65 5.797 6.036 -8.762 1.00 4.22 C ATOM 0 H VAL A 65 8.356 6.562 -5.980 1.00 0.21 H new ATOM 0 HA VAL A 65 6.685 4.422 -7.113 1.00 23.42 H new ATOM 0 HB VAL A 65 7.486 7.089 -7.997 1.00 74.54 H new ATOM 0 HG11 VAL A 65 7.950 6.521 -10.346 1.00 43.50 H new ATOM 0 HG12 VAL A 65 9.206 5.892 -9.254 1.00 43.50 H new ATOM 0 HG13 VAL A 65 7.975 4.793 -9.920 1.00 43.50 H new ATOM 0 HG21 VAL A 65 5.616 6.750 -9.565 1.00 4.22 H new ATOM 0 HG22 VAL A 65 5.548 5.032 -9.106 1.00 4.22 H new ATOM 0 HG23 VAL A 65 5.175 6.290 -7.904 1.00 4.22 H new ATOM 1004 N ARG A 66 8.543 3.088 -8.173 1.00 71.22 N ATOM 1005 CA ARG A 66 9.632 2.202 -8.567 1.00 1.04 C ATOM 1006 C ARG A 66 9.441 1.707 -9.997 1.00 53.23 C ATOM 1007 O ARG A 66 8.314 1.503 -10.448 1.00 75.14 O ATOM 1008 CB ARG A 66 9.719 1.011 -7.611 1.00 24.40 C ATOM 1009 CG ARG A 66 10.292 1.364 -6.248 1.00 35.11 C ATOM 1010 CD ARG A 66 10.047 0.255 -5.237 1.00 33.05 C ATOM 1011 NE ARG A 66 10.732 -0.981 -5.603 1.00 63.31 N ATOM 1012 CZ ARG A 66 12.041 -1.164 -5.467 1.00 50.14 C ATOM 1013 NH1 ARG A 66 12.801 -0.195 -4.976 1.00 24.53 N ATOM 1014 NH2 ARG A 66 12.592 -2.318 -5.823 1.00 54.54 N ATOM 0 H ARG A 66 7.611 2.733 -8.389 1.00 71.22 H new ATOM 0 HA ARG A 66 10.563 2.768 -8.519 1.00 1.04 H new ATOM 0 HB2 ARG A 66 8.723 0.589 -7.479 1.00 24.40 H new ATOM 0 HB3 ARG A 66 10.336 0.236 -8.065 1.00 24.40 H new ATOM 0 HG2 ARG A 66 11.363 1.546 -6.338 1.00 35.11 H new ATOM 0 HG3 ARG A 66 9.841 2.290 -5.891 1.00 35.11 H new ATOM 0 HD2 ARG A 66 10.386 0.580 -4.253 1.00 33.05 H new ATOM 0 HD3 ARG A 66 8.976 0.066 -5.158 1.00 33.05 H new ATOM 0 HE ARG A 66 10.175 -1.746 -5.984 1.00 63.31 H new ATOM 0 HH11 ARG A 66 12.381 0.693 -4.702 1.00 24.53 H new ATOM 0 HH12 ARG A 66 13.806 -0.338 -4.872 1.00 24.53 H new ATOM 0 HH21 ARG A 66 12.010 -3.066 -6.202 1.00 54.54 H new ATOM 0 HH22 ARG A 66 13.597 -2.457 -5.718 1.00 54.54 H new ATOM 1028 N ARG A 67 10.549 1.517 -10.706 1.00 1.45 N ATOM 1029 CA ARG A 67 10.503 1.048 -12.085 1.00 43.52 C ATOM 1030 C ARG A 67 10.336 -0.467 -12.139 1.00 61.30 C ATOM 1031 O ARG A 67 11.018 -1.202 -11.424 1.00 71.42 O ATOM 1032 CB ARG A 67 11.776 1.459 -12.828 1.00 61.42 C ATOM 1033 CG ARG A 67 11.850 2.946 -13.135 1.00 21.55 C ATOM 1034 CD ARG A 67 12.348 3.199 -14.549 1.00 21.21 C ATOM 1035 NE ARG A 67 13.477 4.125 -14.574 1.00 52.21 N ATOM 1036 CZ ARG A 67 14.722 3.774 -14.274 1.00 43.31 C ATOM 1037 NH1 ARG A 67 14.997 2.524 -13.928 1.00 44.23 N ATOM 1038 NH2 ARG A 67 15.696 4.675 -14.320 1.00 71.31 N ATOM 0 H ARG A 67 11.490 1.681 -10.348 1.00 1.45 H new ATOM 0 HA ARG A 67 9.642 1.508 -12.571 1.00 43.52 H new ATOM 0 HB2 ARG A 67 12.643 1.177 -12.230 1.00 61.42 H new ATOM 0 HB3 ARG A 67 11.838 0.900 -13.762 1.00 61.42 H new ATOM 0 HG2 ARG A 67 10.864 3.394 -13.010 1.00 21.55 H new ATOM 0 HG3 ARG A 67 12.514 3.433 -12.421 1.00 21.55 H new ATOM 0 HD2 ARG A 67 12.644 2.254 -15.004 1.00 21.21 H new ATOM 0 HD3 ARG A 67 11.535 3.602 -15.153 1.00 21.21 H new ATOM 0 HE ARG A 67 13.299 5.095 -14.836 1.00 52.21 H new ATOM 0 HH11 ARG A 67 14.251 1.829 -13.892 1.00 44.23 H new ATOM 0 HH12 ARG A 67 15.954 2.257 -13.698 1.00 44.23 H new ATOM 0 HH21 ARG A 67 15.488 5.638 -14.586 1.00 71.31 H new ATOM 0 HH22 ARG A 67 16.652 4.405 -14.089 1.00 71.31 H new ATOM 1052 N ILE A 68 9.425 -0.927 -12.990 1.00 42.01 N ATOM 1053 CA ILE A 68 9.169 -2.354 -13.137 1.00 63.41 C ATOM 1054 C ILE A 68 8.981 -2.731 -14.603 1.00 21.13 C ATOM 1055 O ILE A 68 7.960 -2.410 -15.211 1.00 45.44 O ATOM 1056 CB ILE A 68 7.923 -2.788 -12.343 1.00 53.42 C ATOM 1057 CG1 ILE A 68 8.020 -2.304 -10.895 1.00 1.11 C ATOM 1058 CG2 ILE A 68 7.762 -4.300 -12.393 1.00 3.33 C ATOM 1059 CD1 ILE A 68 7.582 -3.338 -9.882 1.00 23.33 C ATOM 0 H ILE A 68 8.852 -0.332 -13.588 1.00 42.01 H new ATOM 0 HA ILE A 68 10.041 -2.873 -12.740 1.00 63.41 H new ATOM 0 HB ILE A 68 7.043 -2.334 -12.800 1.00 53.42 H new ATOM 0 HG12 ILE A 68 9.050 -2.015 -10.685 1.00 1.11 H new ATOM 0 HG13 ILE A 68 7.408 -1.410 -10.777 1.00 1.11 H new ATOM 0 HG21 ILE A 68 6.877 -4.591 -11.827 1.00 3.33 H new ATOM 0 HG22 ILE A 68 7.652 -4.620 -13.429 1.00 3.33 H new ATOM 0 HG23 ILE A 68 8.642 -4.774 -11.959 1.00 3.33 H new ATOM 0 HD11 ILE A 68 7.677 -2.926 -8.877 1.00 23.33 H new ATOM 0 HD12 ILE A 68 6.543 -3.610 -10.066 1.00 23.33 H new ATOM 0 HD13 ILE A 68 8.210 -4.224 -9.972 1.00 23.33 H new TER 1071 ILE A 68