USER MOD reduce.3.24.130724 H: found=0, std=0, add=415, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 417 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 37 LYS NZ :NH3+ -110:sc= 1.15 (180deg=-0.505) USER MOD Set 1.2: A 41 GLN : amide:sc= 0.457 K(o=1.6,f=-5.3) USER MOD Single : A 22 THR OG1 : rot -39:sc= 0.685 USER MOD Single : A 30 LYS NZ :NH3+ 145:sc= -2.18! (180deg=-4.03!) USER MOD Single : A 31 SER OG : rot 180:sc= -1.99! USER MOD Single : A 36 LYS NZ :NH3+ -134:sc= 0.446 (180deg=-2.33!) USER MOD Single : A 43 LYS NZ :NH3+ -118:sc= -6.54! (180deg=-14.6!) USER MOD Single : A 47 GLN : amide:sc= -1.09 K(o=-1.1,f=-5.8!) USER MOD Single : A 74 LYS NZ :NH3+ -137:sc= 1.24 (180deg=0.0824) USER MOD Single : A 77 ASN : amide:sc= -2.35! C(o=-2.3!,f=-1.9!) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 42 N THR A 22 6.805 2.505 -2.335 1.00 0.61 N ATOM 43 CA THR A 22 6.365 3.476 -3.370 1.00 0.55 C ATOM 44 C THR A 22 7.440 4.516 -3.573 1.00 0.60 C ATOM 45 O THR A 22 7.557 5.091 -4.633 1.00 0.60 O ATOM 46 CB THR A 22 5.154 4.144 -2.929 1.00 0.54 C ATOM 47 OG1 THR A 22 5.472 4.551 -1.608 1.00 0.67 O ATOM 48 CG2 THR A 22 4.103 3.085 -2.752 1.00 0.54 C ATOM 0 HA THR A 22 6.178 2.943 -4.302 1.00 0.55 H new ATOM 0 HB THR A 22 4.830 4.937 -3.602 1.00 0.54 H new ATOM 0 HG1 THR A 22 6.000 3.852 -1.169 1.00 0.67 H new ATOM 0 HG21 THR A 22 3.173 3.547 -2.420 1.00 0.54 H new ATOM 0 HG22 THR A 22 3.936 2.576 -3.701 1.00 0.54 H new ATOM 0 HG23 THR A 22 4.436 2.363 -2.006 1.00 0.54 H new ATOM 56 N GLU A 23 8.188 4.755 -2.537 1.00 0.70 N ATOM 57 CA GLU A 23 9.297 5.743 -2.606 1.00 0.76 C ATOM 58 C GLU A 23 10.402 5.026 -1.882 1.00 0.66 C ATOM 59 O GLU A 23 10.131 4.332 -0.923 1.00 0.73 O ATOM 60 CB GLU A 23 8.880 7.059 -1.916 1.00 1.05 C ATOM 61 CG GLU A 23 8.074 6.813 -0.641 1.00 0.95 C ATOM 62 CD GLU A 23 7.768 8.132 0.095 1.00 0.92 C ATOM 63 OE1 GLU A 23 6.827 8.791 -0.312 1.00 0.50 O ATOM 64 OE2 GLU A 23 8.505 8.439 1.013 1.00 2.01 O ATOM 0 H GLU A 23 8.077 4.301 -1.631 1.00 0.70 H new ATOM 0 HA GLU A 23 9.587 6.041 -3.613 1.00 0.76 H new ATOM 0 HB2 GLU A 23 9.771 7.638 -1.674 1.00 1.05 H new ATOM 0 HB3 GLU A 23 8.288 7.658 -2.608 1.00 1.05 H new ATOM 0 HG2 GLU A 23 7.140 6.309 -0.891 1.00 0.95 H new ATOM 0 HG3 GLU A 23 8.629 6.147 0.019 1.00 0.95 H new ATOM 71 N TRP A 24 11.606 5.192 -2.332 1.00 0.55 N ATOM 72 CA TRP A 24 12.735 4.491 -1.654 1.00 0.48 C ATOM 73 C TRP A 24 13.777 5.373 -0.962 1.00 0.53 C ATOM 74 O TRP A 24 14.914 5.458 -1.401 1.00 0.54 O ATOM 75 CB TRP A 24 13.372 3.589 -2.737 1.00 0.37 C ATOM 76 CG TRP A 24 12.454 2.410 -3.069 1.00 0.36 C ATOM 77 CD1 TRP A 24 12.644 1.173 -2.547 1.00 0.35 C ATOM 78 CD2 TRP A 24 11.338 2.416 -3.839 1.00 0.36 C ATOM 79 NE1 TRP A 24 11.618 0.500 -3.026 1.00 0.35 N ATOM 80 CE2 TRP A 24 10.788 1.161 -3.801 1.00 0.35 C ATOM 81 CE3 TRP A 24 10.714 3.391 -4.595 1.00 0.36 C ATOM 82 CZ2 TRP A 24 9.639 0.854 -4.475 1.00 0.33 C ATOM 83 CZ3 TRP A 24 9.539 3.089 -5.291 1.00 0.34 C ATOM 84 CH2 TRP A 24 9.007 1.820 -5.221 1.00 0.32 C ATOM 0 H TRP A 24 11.862 5.774 -3.130 1.00 0.55 H new ATOM 0 HA TRP A 24 12.331 3.934 -0.809 1.00 0.48 H new ATOM 0 HB2 TRP A 24 13.562 4.173 -3.638 1.00 0.37 H new ATOM 0 HB3 TRP A 24 14.336 3.219 -2.388 1.00 0.37 H new ATOM 0 HD1 TRP A 24 13.437 0.827 -1.901 1.00 0.35 H new ATOM 0 HE1 TRP A 24 11.475 -0.486 -2.806 1.00 0.35 H new ATOM 0 HE3 TRP A 24 11.133 4.385 -4.648 1.00 0.36 H new ATOM 0 HZ2 TRP A 24 9.229 -0.144 -4.422 1.00 0.33 H new ATOM 0 HZ3 TRP A 24 9.050 3.849 -5.882 1.00 0.34 H new ATOM 0 HH2 TRP A 24 8.096 1.585 -5.751 1.00 0.32 H new ATOM 95 N PRO A 25 13.394 6.015 0.126 1.00 0.57 N ATOM 96 CA PRO A 25 14.401 6.725 0.971 1.00 0.57 C ATOM 97 C PRO A 25 15.474 5.646 1.249 1.00 0.49 C ATOM 98 O PRO A 25 16.660 5.863 1.136 1.00 0.38 O ATOM 99 CB PRO A 25 13.542 7.224 2.163 1.00 0.68 C ATOM 100 CG PRO A 25 12.295 6.292 2.165 1.00 0.66 C ATOM 101 CD PRO A 25 12.010 6.086 0.676 1.00 0.62 C ATOM 0 HA PRO A 25 14.942 7.588 0.583 1.00 0.57 H new ATOM 0 HB2 PRO A 25 14.090 7.155 3.103 1.00 0.68 H new ATOM 0 HB3 PRO A 25 13.256 8.268 2.036 1.00 0.68 H new ATOM 0 HG2 PRO A 25 12.499 5.348 2.670 1.00 0.66 H new ATOM 0 HG3 PRO A 25 11.450 6.752 2.677 1.00 0.66 H new ATOM 0 HD2 PRO A 25 11.444 5.174 0.487 1.00 0.62 H new ATOM 0 HD3 PRO A 25 11.438 6.910 0.248 1.00 0.62 H new ATOM 109 N GLU A 26 14.920 4.519 1.587 1.00 0.58 N ATOM 110 CA GLU A 26 15.619 3.235 1.914 1.00 0.59 C ATOM 111 C GLU A 26 16.805 2.931 0.942 1.00 0.52 C ATOM 112 O GLU A 26 17.787 2.299 1.281 1.00 0.51 O ATOM 113 CB GLU A 26 14.523 2.170 1.863 1.00 0.74 C ATOM 114 CG GLU A 26 15.057 0.807 2.356 1.00 0.07 C ATOM 115 CD GLU A 26 13.956 -0.228 2.159 1.00 0.39 C ATOM 116 OE1 GLU A 26 12.948 -0.182 2.846 1.00 1.70 O ATOM 117 OE2 GLU A 26 14.155 -1.058 1.291 1.00 1.33 O ATOM 0 H GLU A 26 13.906 4.428 1.657 1.00 0.58 H new ATOM 0 HA GLU A 26 16.095 3.273 2.894 1.00 0.59 H new ATOM 0 HB2 GLU A 26 13.680 2.480 2.480 1.00 0.74 H new ATOM 0 HB3 GLU A 26 14.152 2.073 0.843 1.00 0.74 H new ATOM 0 HG2 GLU A 26 15.951 0.524 1.800 1.00 0.07 H new ATOM 0 HG3 GLU A 26 15.341 0.866 3.407 1.00 0.07 H new ATOM 124 N LEU A 27 16.669 3.404 -0.272 1.00 0.49 N ATOM 125 CA LEU A 27 17.706 3.208 -1.333 1.00 0.43 C ATOM 126 C LEU A 27 18.704 4.338 -1.553 1.00 0.22 C ATOM 127 O LEU A 27 19.738 4.105 -2.149 1.00 0.23 O ATOM 128 CB LEU A 27 17.008 2.964 -2.666 1.00 0.60 C ATOM 129 CG LEU A 27 16.397 1.590 -2.711 1.00 0.20 C ATOM 130 CD1 LEU A 27 15.586 1.462 -3.993 1.00 0.75 C ATOM 131 CD2 LEU A 27 17.551 0.584 -2.781 1.00 0.62 C ATOM 0 H LEU A 27 15.855 3.935 -0.581 1.00 0.49 H new ATOM 0 HA LEU A 27 18.292 2.365 -0.967 1.00 0.43 H new ATOM 0 HB2 LEU A 27 16.233 3.716 -2.818 1.00 0.60 H new ATOM 0 HB3 LEU A 27 17.723 3.075 -3.481 1.00 0.60 H new ATOM 0 HG LEU A 27 15.763 1.415 -1.842 1.00 0.20 H new ATOM 0 HD11 LEU A 27 15.136 0.470 -4.041 1.00 0.75 H new ATOM 0 HD12 LEU A 27 14.801 2.218 -4.004 1.00 0.75 H new ATOM 0 HD13 LEU A 27 16.240 1.606 -4.853 1.00 0.75 H new ATOM 0 HD21 LEU A 27 17.149 -0.429 -2.815 1.00 0.62 H new ATOM 0 HD22 LEU A 27 18.142 0.770 -3.678 1.00 0.62 H new ATOM 0 HD23 LEU A 27 18.183 0.694 -1.900 1.00 0.62 H new ATOM 143 N VAL A 28 18.424 5.530 -1.106 1.00 0.28 N ATOM 144 CA VAL A 28 19.404 6.647 -1.327 1.00 0.13 C ATOM 145 C VAL A 28 20.765 6.193 -0.759 1.00 0.20 C ATOM 146 O VAL A 28 20.848 5.788 0.383 1.00 0.37 O ATOM 147 CB VAL A 28 18.885 7.912 -0.609 1.00 0.17 C ATOM 148 CG1 VAL A 28 19.768 9.089 -1.049 1.00 0.17 C ATOM 149 CG2 VAL A 28 17.439 8.230 -1.038 1.00 0.30 C ATOM 0 H VAL A 28 17.574 5.784 -0.603 1.00 0.28 H new ATOM 0 HA VAL A 28 19.519 6.883 -2.385 1.00 0.13 H new ATOM 0 HB VAL A 28 18.913 7.751 0.469 1.00 0.17 H new ATOM 0 HG11 VAL A 28 19.428 10.002 -0.559 1.00 0.17 H new ATOM 0 HG12 VAL A 28 20.803 8.891 -0.770 1.00 0.17 H new ATOM 0 HG13 VAL A 28 19.700 9.211 -2.130 1.00 0.17 H new ATOM 0 HG21 VAL A 28 17.094 9.125 -0.520 1.00 0.30 H new ATOM 0 HG22 VAL A 28 17.408 8.399 -2.114 1.00 0.30 H new ATOM 0 HG23 VAL A 28 16.791 7.391 -0.784 1.00 0.30 H new ATOM 159 N GLY A 29 21.784 6.273 -1.568 1.00 0.29 N ATOM 160 CA GLY A 29 23.155 5.839 -1.133 1.00 0.47 C ATOM 161 C GLY A 29 23.413 4.380 -1.570 1.00 0.54 C ATOM 162 O GLY A 29 24.442 3.805 -1.276 1.00 0.65 O ATOM 0 H GLY A 29 21.732 6.624 -2.524 1.00 0.29 H new ATOM 0 HA2 GLY A 29 23.908 6.496 -1.568 1.00 0.47 H new ATOM 0 HA3 GLY A 29 23.245 5.924 -0.050 1.00 0.47 H new ATOM 166 N LYS A 30 22.475 3.784 -2.261 1.00 0.52 N ATOM 167 CA LYS A 30 22.647 2.356 -2.735 1.00 0.61 C ATOM 168 C LYS A 30 22.972 2.292 -4.246 1.00 0.53 C ATOM 169 O LYS A 30 22.889 3.312 -4.908 1.00 0.46 O ATOM 170 CB LYS A 30 21.326 1.597 -2.418 1.00 0.62 C ATOM 171 CG LYS A 30 21.040 1.582 -0.874 1.00 0.77 C ATOM 172 CD LYS A 30 22.193 0.928 -0.035 1.00 0.38 C ATOM 173 CE LYS A 30 21.847 -0.491 0.427 1.00 0.76 C ATOM 174 NZ LYS A 30 21.530 -1.313 -0.767 1.00 1.36 N ATOM 0 H LYS A 30 21.590 4.218 -2.524 1.00 0.52 H new ATOM 0 HA LYS A 30 23.489 1.893 -2.220 1.00 0.61 H new ATOM 0 HB2 LYS A 30 20.496 2.072 -2.940 1.00 0.62 H new ATOM 0 HB3 LYS A 30 21.393 0.574 -2.789 1.00 0.62 H new ATOM 0 HG2 LYS A 30 20.885 2.605 -0.530 1.00 0.77 H new ATOM 0 HG3 LYS A 30 20.113 1.040 -0.689 1.00 0.77 H new ATOM 0 HD2 LYS A 30 23.103 0.900 -0.634 1.00 0.38 H new ATOM 0 HD3 LYS A 30 22.403 1.550 0.836 1.00 0.38 H new ATOM 0 HE2 LYS A 30 22.684 -0.925 0.974 1.00 0.76 H new ATOM 0 HE3 LYS A 30 20.997 -0.470 1.109 1.00 0.76 H new ATOM 0 HZ1 LYS A 30 21.863 -2.287 -0.617 1.00 1.36 H new ATOM 0 HZ2 LYS A 30 20.501 -1.319 -0.921 1.00 1.36 H new ATOM 0 HZ3 LYS A 30 22.003 -0.910 -1.601 1.00 1.36 H new ATOM 188 N SER A 31 23.300 1.121 -4.762 1.00 0.58 N ATOM 189 CA SER A 31 23.621 1.091 -6.241 1.00 0.51 C ATOM 190 C SER A 31 22.300 1.125 -6.970 1.00 0.34 C ATOM 191 O SER A 31 21.291 0.677 -6.462 1.00 0.26 O ATOM 192 CB SER A 31 24.370 -0.215 -6.705 1.00 0.55 C ATOM 193 OG SER A 31 23.475 -1.317 -6.588 1.00 0.53 O ATOM 0 H SER A 31 23.359 0.234 -4.262 1.00 0.58 H new ATOM 0 HA SER A 31 24.277 1.935 -6.455 1.00 0.51 H new ATOM 0 HB2 SER A 31 24.709 -0.111 -7.736 1.00 0.55 H new ATOM 0 HB3 SER A 31 25.256 -0.381 -6.093 1.00 0.55 H new ATOM 0 HG SER A 31 23.927 -2.138 -6.875 1.00 0.53 H new ATOM 199 N VAL A 32 22.304 1.661 -8.149 1.00 0.37 N ATOM 200 CA VAL A 32 21.011 1.695 -8.859 1.00 0.29 C ATOM 201 C VAL A 32 20.511 0.285 -9.236 1.00 0.20 C ATOM 202 O VAL A 32 19.376 -0.021 -8.960 1.00 0.17 O ATOM 203 CB VAL A 32 21.228 2.636 -10.056 1.00 0.32 C ATOM 204 CG1 VAL A 32 22.089 2.018 -11.158 1.00 0.26 C ATOM 205 CG2 VAL A 32 19.847 3.022 -10.541 1.00 0.31 C ATOM 0 H VAL A 32 23.108 2.060 -8.634 1.00 0.37 H new ATOM 0 HA VAL A 32 20.205 2.073 -8.230 1.00 0.29 H new ATOM 0 HB VAL A 32 21.795 3.516 -9.752 1.00 0.32 H new ATOM 0 HG11 VAL A 32 22.204 2.732 -11.973 1.00 0.26 H new ATOM 0 HG12 VAL A 32 23.070 1.766 -10.755 1.00 0.26 H new ATOM 0 HG13 VAL A 32 21.608 1.115 -11.532 1.00 0.26 H new ATOM 0 HG21 VAL A 32 19.936 3.694 -11.395 1.00 0.31 H new ATOM 0 HG22 VAL A 32 19.302 2.126 -10.839 1.00 0.31 H new ATOM 0 HG23 VAL A 32 19.307 3.525 -9.739 1.00 0.31 H new ATOM 215 N GLU A 33 21.295 -0.570 -9.832 1.00 0.21 N ATOM 216 CA GLU A 33 20.774 -1.925 -10.175 1.00 0.19 C ATOM 217 C GLU A 33 20.202 -2.548 -8.899 1.00 0.25 C ATOM 218 O GLU A 33 19.153 -3.166 -8.926 1.00 0.27 O ATOM 219 CB GLU A 33 21.968 -2.671 -10.801 1.00 0.16 C ATOM 220 CG GLU A 33 22.503 -1.787 -12.010 1.00 0.17 C ATOM 221 CD GLU A 33 21.412 -1.294 -12.978 1.00 0.55 C ATOM 222 OE1 GLU A 33 20.374 -1.919 -13.105 1.00 0.80 O ATOM 223 OE2 GLU A 33 21.646 -0.268 -13.591 1.00 1.61 O ATOM 0 H GLU A 33 22.265 -0.393 -10.095 1.00 0.21 H new ATOM 0 HA GLU A 33 19.954 -1.944 -10.893 1.00 0.19 H new ATOM 0 HB2 GLU A 33 22.754 -2.825 -10.062 1.00 0.16 H new ATOM 0 HB3 GLU A 33 21.663 -3.657 -11.152 1.00 0.16 H new ATOM 0 HG2 GLU A 33 23.028 -0.922 -11.605 1.00 0.17 H new ATOM 0 HG3 GLU A 33 23.233 -2.369 -12.573 1.00 0.17 H new ATOM 230 N GLU A 34 20.874 -2.383 -7.793 1.00 0.28 N ATOM 231 CA GLU A 34 20.336 -2.948 -6.534 1.00 0.30 C ATOM 232 C GLU A 34 19.023 -2.166 -6.330 1.00 0.26 C ATOM 233 O GLU A 34 17.984 -2.752 -6.158 1.00 0.31 O ATOM 234 CB GLU A 34 21.337 -2.658 -5.493 1.00 0.36 C ATOM 235 CG GLU A 34 20.831 -2.994 -4.103 1.00 0.82 C ATOM 236 CD GLU A 34 21.894 -2.545 -3.117 1.00 0.99 C ATOM 237 OE1 GLU A 34 22.358 -1.414 -3.225 1.00 1.53 O ATOM 238 OE2 GLU A 34 22.186 -3.372 -2.272 1.00 1.41 O ATOM 0 H GLU A 34 21.761 -1.887 -7.711 1.00 0.28 H new ATOM 0 HA GLU A 34 20.147 -4.021 -6.523 1.00 0.30 H new ATOM 0 HB2 GLU A 34 22.244 -3.227 -5.695 1.00 0.36 H new ATOM 0 HB3 GLU A 34 21.607 -1.603 -5.535 1.00 0.36 H new ATOM 0 HG2 GLU A 34 19.885 -2.489 -3.905 1.00 0.82 H new ATOM 0 HG3 GLU A 34 20.647 -4.064 -4.009 1.00 0.82 H new ATOM 245 N ALA A 35 19.037 -0.867 -6.339 1.00 0.21 N ATOM 246 CA ALA A 35 17.775 -0.106 -6.158 1.00 0.21 C ATOM 247 C ALA A 35 16.657 -0.767 -6.949 1.00 0.21 C ATOM 248 O ALA A 35 15.586 -0.973 -6.442 1.00 0.20 O ATOM 249 CB ALA A 35 17.997 1.321 -6.648 1.00 0.25 C ATOM 0 H ALA A 35 19.873 -0.296 -6.465 1.00 0.21 H new ATOM 0 HA ALA A 35 17.491 -0.093 -5.106 1.00 0.21 H new ATOM 0 HB1 ALA A 35 17.079 1.896 -6.523 1.00 0.25 H new ATOM 0 HB2 ALA A 35 18.797 1.784 -6.070 1.00 0.25 H new ATOM 0 HB3 ALA A 35 18.274 1.305 -7.702 1.00 0.25 H new ATOM 255 N LYS A 36 16.958 -1.115 -8.159 1.00 0.24 N ATOM 256 CA LYS A 36 15.959 -1.766 -9.049 1.00 0.24 C ATOM 257 C LYS A 36 15.536 -3.056 -8.354 1.00 0.20 C ATOM 258 O LYS A 36 14.366 -3.263 -8.117 1.00 0.17 O ATOM 259 CB LYS A 36 16.658 -1.986 -10.430 1.00 0.29 C ATOM 260 CG LYS A 36 17.092 -0.621 -11.012 1.00 0.19 C ATOM 261 CD LYS A 36 17.462 -0.827 -12.490 1.00 0.38 C ATOM 262 CE LYS A 36 18.077 0.455 -13.067 1.00 0.43 C ATOM 263 NZ LYS A 36 19.066 0.123 -14.144 1.00 0.84 N ATOM 0 H LYS A 36 17.875 -0.974 -8.583 1.00 0.24 H new ATOM 0 HA LYS A 36 15.059 -1.179 -9.231 1.00 0.24 H new ATOM 0 HB2 LYS A 36 17.526 -2.635 -10.311 1.00 0.29 H new ATOM 0 HB3 LYS A 36 15.977 -2.487 -11.118 1.00 0.29 H new ATOM 0 HG2 LYS A 36 16.285 0.106 -10.920 1.00 0.19 H new ATOM 0 HG3 LYS A 36 17.943 -0.225 -10.458 1.00 0.19 H new ATOM 0 HD2 LYS A 36 18.168 -1.652 -12.584 1.00 0.38 H new ATOM 0 HD3 LYS A 36 16.574 -1.101 -13.060 1.00 0.38 H new ATOM 0 HE2 LYS A 36 17.291 1.093 -13.471 1.00 0.43 H new ATOM 0 HE3 LYS A 36 18.569 1.018 -12.274 1.00 0.43 H new ATOM 0 HZ1 LYS A 36 19.933 0.680 -14.003 1.00 0.84 H new ATOM 0 HZ2 LYS A 36 19.295 -0.891 -14.105 1.00 0.84 H new ATOM 0 HZ3 LYS A 36 18.657 0.350 -15.073 1.00 0.84 H new ATOM 277 N LYS A 37 16.468 -3.897 -8.015 1.00 0.23 N ATOM 278 CA LYS A 37 16.113 -5.172 -7.328 1.00 0.26 C ATOM 279 C LYS A 37 15.191 -4.857 -6.130 1.00 0.22 C ATOM 280 O LYS A 37 14.157 -5.463 -5.938 1.00 0.33 O ATOM 281 CB LYS A 37 17.451 -5.851 -6.902 1.00 0.32 C ATOM 282 CG LYS A 37 17.884 -5.627 -5.445 1.00 1.36 C ATOM 283 CD LYS A 37 19.201 -6.415 -5.167 1.00 1.36 C ATOM 284 CE LYS A 37 18.931 -7.821 -4.614 1.00 1.43 C ATOM 285 NZ LYS A 37 18.365 -7.648 -3.237 1.00 2.53 N ATOM 0 H LYS A 37 17.464 -3.759 -8.183 1.00 0.23 H new ATOM 0 HA LYS A 37 15.565 -5.857 -7.974 1.00 0.26 H new ATOM 0 HB2 LYS A 37 17.362 -6.924 -7.073 1.00 0.32 H new ATOM 0 HB3 LYS A 37 18.244 -5.489 -7.556 1.00 0.32 H new ATOM 0 HG2 LYS A 37 18.038 -4.564 -5.259 1.00 1.36 H new ATOM 0 HG3 LYS A 37 17.099 -5.959 -4.766 1.00 1.36 H new ATOM 0 HD2 LYS A 37 19.777 -6.494 -6.089 1.00 1.36 H new ATOM 0 HD3 LYS A 37 19.812 -5.858 -4.456 1.00 1.36 H new ATOM 0 HE2 LYS A 37 18.232 -8.359 -5.254 1.00 1.43 H new ATOM 0 HE3 LYS A 37 19.850 -8.406 -4.583 1.00 1.43 H new ATOM 0 HZ1 LYS A 37 19.062 -7.965 -2.533 1.00 2.53 H new ATOM 0 HZ2 LYS A 37 18.143 -6.645 -3.076 1.00 2.53 H new ATOM 0 HZ3 LYS A 37 17.497 -8.214 -3.145 1.00 2.53 H new ATOM 299 N VAL A 38 15.602 -3.887 -5.362 1.00 0.12 N ATOM 300 CA VAL A 38 14.783 -3.504 -4.169 1.00 0.12 C ATOM 301 C VAL A 38 13.385 -3.112 -4.620 1.00 0.12 C ATOM 302 O VAL A 38 12.393 -3.628 -4.150 1.00 0.14 O ATOM 303 CB VAL A 38 15.489 -2.329 -3.459 1.00 0.15 C ATOM 304 CG1 VAL A 38 14.535 -1.612 -2.472 1.00 0.24 C ATOM 305 CG2 VAL A 38 16.668 -2.928 -2.667 1.00 0.18 C ATOM 0 H VAL A 38 16.456 -3.347 -5.502 1.00 0.12 H new ATOM 0 HA VAL A 38 14.690 -4.340 -3.475 1.00 0.12 H new ATOM 0 HB VAL A 38 15.818 -1.597 -4.196 1.00 0.15 H new ATOM 0 HG11 VAL A 38 15.063 -0.790 -1.989 1.00 0.24 H new ATOM 0 HG12 VAL A 38 13.675 -1.221 -3.016 1.00 0.24 H new ATOM 0 HG13 VAL A 38 14.195 -2.320 -1.716 1.00 0.24 H new ATOM 0 HG21 VAL A 38 17.199 -2.131 -2.146 1.00 0.18 H new ATOM 0 HG22 VAL A 38 16.290 -3.647 -1.940 1.00 0.18 H new ATOM 0 HG23 VAL A 38 17.350 -3.430 -3.353 1.00 0.18 H new ATOM 315 N ILE A 39 13.351 -2.196 -5.542 1.00 0.13 N ATOM 316 CA ILE A 39 12.076 -1.689 -6.103 1.00 0.17 C ATOM 317 C ILE A 39 11.265 -2.860 -6.613 1.00 0.19 C ATOM 318 O ILE A 39 10.065 -2.810 -6.510 1.00 0.35 O ATOM 319 CB ILE A 39 12.535 -0.687 -7.121 1.00 0.17 C ATOM 320 CG1 ILE A 39 13.046 0.482 -6.218 1.00 0.21 C ATOM 321 CG2 ILE A 39 11.361 -0.184 -7.961 1.00 0.16 C ATOM 322 CD1 ILE A 39 13.911 1.446 -6.970 1.00 0.31 C ATOM 0 H ILE A 39 14.184 -1.765 -5.942 1.00 0.13 H new ATOM 0 HA ILE A 39 11.391 -1.201 -5.410 1.00 0.17 H new ATOM 0 HB ILE A 39 13.271 -1.090 -7.817 1.00 0.17 H new ATOM 0 HG12 ILE A 39 12.192 1.014 -5.799 1.00 0.21 H new ATOM 0 HG13 ILE A 39 13.608 0.071 -5.379 1.00 0.21 H new ATOM 0 HG21 ILE A 39 11.720 0.541 -8.691 1.00 0.16 H new ATOM 0 HG22 ILE A 39 10.899 -1.024 -8.480 1.00 0.16 H new ATOM 0 HG23 ILE A 39 10.625 0.290 -7.311 1.00 0.16 H new ATOM 0 HD11 ILE A 39 14.240 2.239 -6.299 1.00 0.31 H new ATOM 0 HD12 ILE A 39 14.781 0.922 -7.367 1.00 0.31 H new ATOM 0 HD13 ILE A 39 13.342 1.880 -7.793 1.00 0.31 H new ATOM 334 N LEU A 40 11.900 -3.866 -7.145 1.00 0.11 N ATOM 335 CA LEU A 40 11.114 -5.044 -7.631 1.00 0.16 C ATOM 336 C LEU A 40 10.658 -5.817 -6.372 1.00 0.21 C ATOM 337 O LEU A 40 9.528 -6.248 -6.324 1.00 0.25 O ATOM 338 CB LEU A 40 11.991 -5.973 -8.520 1.00 0.23 C ATOM 339 CG LEU A 40 12.410 -5.276 -9.821 1.00 0.22 C ATOM 340 CD1 LEU A 40 13.159 -6.296 -10.685 1.00 0.28 C ATOM 341 CD2 LEU A 40 11.187 -4.794 -10.593 1.00 0.19 C ATOM 0 H LEU A 40 12.911 -3.929 -7.265 1.00 0.11 H new ATOM 0 HA LEU A 40 10.269 -4.714 -8.235 1.00 0.16 H new ATOM 0 HB2 LEU A 40 12.880 -6.276 -7.966 1.00 0.23 H new ATOM 0 HB3 LEU A 40 11.437 -6.882 -8.755 1.00 0.23 H new ATOM 0 HG LEU A 40 13.037 -4.417 -9.583 1.00 0.22 H new ATOM 0 HD11 LEU A 40 13.469 -5.825 -11.618 1.00 0.28 H new ATOM 0 HD12 LEU A 40 14.039 -6.651 -10.148 1.00 0.28 H new ATOM 0 HD13 LEU A 40 12.503 -7.139 -10.904 1.00 0.28 H new ATOM 0 HD21 LEU A 40 11.507 -4.303 -11.512 1.00 0.19 H new ATOM 0 HD22 LEU A 40 10.553 -5.646 -10.839 1.00 0.19 H new ATOM 0 HD23 LEU A 40 10.625 -4.088 -9.981 1.00 0.19 H new ATOM 353 N GLN A 41 11.517 -5.985 -5.393 1.00 0.23 N ATOM 354 CA GLN A 41 11.137 -6.720 -4.147 1.00 0.28 C ATOM 355 C GLN A 41 9.883 -6.040 -3.537 1.00 0.28 C ATOM 356 O GLN A 41 8.952 -6.685 -3.099 1.00 0.41 O ATOM 357 CB GLN A 41 12.349 -6.703 -3.142 1.00 0.25 C ATOM 358 CG GLN A 41 13.553 -7.590 -3.673 1.00 1.10 C ATOM 359 CD GLN A 41 14.694 -7.787 -2.654 1.00 1.28 C ATOM 360 OE1 GLN A 41 15.737 -8.351 -2.922 1.00 1.63 O ATOM 361 NE2 GLN A 41 14.579 -7.346 -1.444 1.00 1.30 N ATOM 0 H GLN A 41 12.476 -5.639 -5.407 1.00 0.23 H new ATOM 0 HA GLN A 41 10.899 -7.761 -4.367 1.00 0.28 H new ATOM 0 HB2 GLN A 41 12.688 -5.677 -2.995 1.00 0.25 H new ATOM 0 HB3 GLN A 41 12.023 -7.073 -2.170 1.00 0.25 H new ATOM 0 HG2 GLN A 41 13.168 -8.568 -3.963 1.00 1.10 H new ATOM 0 HG3 GLN A 41 13.960 -7.128 -4.572 1.00 1.10 H new ATOM 0 HE21 GLN A 41 13.728 -6.863 -1.156 1.00 1.30 H new ATOM 0 HE22 GLN A 41 15.339 -7.481 -0.778 1.00 1.30 H new ATOM 370 N ASP A 42 9.899 -4.739 -3.526 1.00 0.22 N ATOM 371 CA ASP A 42 8.766 -3.959 -2.987 1.00 0.30 C ATOM 372 C ASP A 42 7.612 -3.905 -4.017 1.00 0.40 C ATOM 373 O ASP A 42 6.449 -4.070 -3.714 1.00 0.58 O ATOM 374 CB ASP A 42 9.343 -2.571 -2.670 1.00 0.31 C ATOM 375 CG ASP A 42 9.975 -2.574 -1.294 1.00 0.28 C ATOM 376 OD1 ASP A 42 11.137 -2.885 -1.158 1.00 1.00 O ATOM 377 OD2 ASP A 42 9.240 -2.255 -0.384 1.00 0.92 O ATOM 0 H ASP A 42 10.672 -4.174 -3.878 1.00 0.22 H new ATOM 0 HA ASP A 42 8.334 -4.405 -2.091 1.00 0.30 H new ATOM 0 HB2 ASP A 42 10.086 -2.297 -3.419 1.00 0.31 H new ATOM 0 HB3 ASP A 42 8.553 -1.821 -2.715 1.00 0.31 H new ATOM 382 N LYS A 43 7.982 -3.666 -5.234 1.00 0.27 N ATOM 383 CA LYS A 43 7.026 -3.563 -6.365 1.00 0.30 C ATOM 384 C LYS A 43 7.461 -4.441 -7.571 1.00 0.25 C ATOM 385 O LYS A 43 8.006 -3.951 -8.541 1.00 0.18 O ATOM 386 CB LYS A 43 6.991 -2.061 -6.615 1.00 0.33 C ATOM 387 CG LYS A 43 5.939 -1.706 -7.672 1.00 0.40 C ATOM 388 CD LYS A 43 5.836 -0.171 -7.659 1.00 0.45 C ATOM 389 CE LYS A 43 5.385 0.364 -8.983 1.00 0.68 C ATOM 390 NZ LYS A 43 6.522 0.554 -9.891 1.00 2.47 N ATOM 0 H LYS A 43 8.956 -3.531 -5.506 1.00 0.27 H new ATOM 0 HA LYS A 43 6.027 -3.953 -6.167 1.00 0.30 H new ATOM 0 HB2 LYS A 43 6.768 -1.539 -5.685 1.00 0.33 H new ATOM 0 HB3 LYS A 43 7.973 -1.720 -6.944 1.00 0.33 H new ATOM 0 HG2 LYS A 43 6.235 -2.070 -8.656 1.00 0.40 H new ATOM 0 HG3 LYS A 43 4.978 -2.165 -7.438 1.00 0.40 H new ATOM 0 HD2 LYS A 43 5.137 0.140 -6.883 1.00 0.45 H new ATOM 0 HD3 LYS A 43 6.806 0.257 -7.405 1.00 0.45 H new ATOM 0 HE2 LYS A 43 4.668 -0.324 -9.432 1.00 0.68 H new ATOM 0 HE3 LYS A 43 4.869 1.313 -8.838 1.00 0.68 H new ATOM 0 HZ1 LYS A 43 6.604 1.561 -10.139 1.00 2.47 H new ATOM 0 HZ2 LYS A 43 7.396 0.241 -9.423 1.00 2.47 H new ATOM 0 HZ3 LYS A 43 6.373 -0.004 -10.756 1.00 2.47 H new ATOM 404 N PRO A 44 7.208 -5.725 -7.475 1.00 0.34 N ATOM 405 CA PRO A 44 7.608 -6.714 -8.519 1.00 0.41 C ATOM 406 C PRO A 44 7.334 -6.262 -9.959 1.00 0.42 C ATOM 407 O PRO A 44 8.167 -6.382 -10.834 1.00 0.41 O ATOM 408 CB PRO A 44 6.850 -7.970 -8.089 1.00 0.60 C ATOM 409 CG PRO A 44 6.880 -7.851 -6.548 1.00 0.44 C ATOM 410 CD PRO A 44 6.502 -6.382 -6.335 1.00 0.43 C ATOM 0 HA PRO A 44 8.686 -6.869 -8.567 1.00 0.41 H new ATOM 0 HB2 PRO A 44 5.832 -7.985 -8.477 1.00 0.60 H new ATOM 0 HB3 PRO A 44 7.338 -8.880 -8.438 1.00 0.60 H new ATOM 0 HG2 PRO A 44 6.170 -8.528 -6.073 1.00 0.44 H new ATOM 0 HG3 PRO A 44 7.864 -8.083 -6.140 1.00 0.44 H new ATOM 0 HD2 PRO A 44 5.424 -6.226 -6.375 1.00 0.43 H new ATOM 0 HD3 PRO A 44 6.843 -6.006 -5.370 1.00 0.43 H new ATOM 418 N GLU A 45 6.154 -5.750 -10.122 1.00 0.43 N ATOM 419 CA GLU A 45 5.626 -5.242 -11.418 1.00 0.46 C ATOM 420 C GLU A 45 6.233 -3.886 -11.809 1.00 0.32 C ATOM 421 O GLU A 45 5.884 -3.308 -12.822 1.00 0.38 O ATOM 422 CB GLU A 45 4.089 -5.156 -11.242 1.00 0.59 C ATOM 423 CG GLU A 45 3.519 -6.515 -10.664 1.00 0.75 C ATOM 424 CD GLU A 45 3.156 -6.425 -9.168 1.00 1.17 C ATOM 425 OE1 GLU A 45 4.009 -5.986 -8.417 1.00 1.72 O ATOM 426 OE2 GLU A 45 2.038 -6.809 -8.870 1.00 2.32 O ATOM 0 H GLU A 45 5.487 -5.657 -9.356 1.00 0.43 H new ATOM 0 HA GLU A 45 5.897 -5.911 -12.235 1.00 0.46 H new ATOM 0 HB2 GLU A 45 3.840 -4.335 -10.570 1.00 0.59 H new ATOM 0 HB3 GLU A 45 3.619 -4.937 -12.201 1.00 0.59 H new ATOM 0 HG2 GLU A 45 2.633 -6.802 -11.231 1.00 0.75 H new ATOM 0 HG3 GLU A 45 4.258 -7.303 -10.807 1.00 0.75 H new ATOM 433 N ALA A 46 7.130 -3.400 -10.999 1.00 0.16 N ATOM 434 CA ALA A 46 7.755 -2.102 -11.293 1.00 0.10 C ATOM 435 C ALA A 46 8.589 -1.962 -12.591 1.00 0.11 C ATOM 436 O ALA A 46 9.486 -2.723 -12.910 1.00 0.22 O ATOM 437 CB ALA A 46 8.661 -1.692 -10.106 1.00 0.13 C ATOM 0 H ALA A 46 7.452 -3.855 -10.145 1.00 0.16 H new ATOM 0 HA ALA A 46 6.895 -1.452 -11.451 1.00 0.10 H new ATOM 0 HB1 ALA A 46 9.127 -0.730 -10.319 1.00 0.13 H new ATOM 0 HB2 ALA A 46 8.060 -1.611 -9.200 1.00 0.13 H new ATOM 0 HB3 ALA A 46 9.435 -2.446 -9.962 1.00 0.13 H new ATOM 443 N GLN A 47 8.212 -0.916 -13.272 1.00 0.17 N ATOM 444 CA GLN A 47 8.815 -0.475 -14.562 1.00 0.17 C ATOM 445 C GLN A 47 9.800 0.546 -13.987 1.00 0.24 C ATOM 446 O GLN A 47 9.515 1.714 -13.777 1.00 0.31 O ATOM 447 CB GLN A 47 7.802 0.253 -15.456 1.00 0.39 C ATOM 448 CG GLN A 47 6.616 -0.625 -15.873 1.00 0.73 C ATOM 449 CD GLN A 47 5.895 0.128 -16.990 1.00 0.77 C ATOM 450 OE1 GLN A 47 4.779 0.597 -16.907 1.00 1.41 O ATOM 451 NE2 GLN A 47 6.512 0.297 -18.113 1.00 0.79 N ATOM 0 H GLN A 47 7.455 -0.308 -12.960 1.00 0.17 H new ATOM 0 HA GLN A 47 9.214 -1.275 -15.185 1.00 0.17 H new ATOM 0 HB2 GLN A 47 7.427 1.130 -14.928 1.00 0.39 H new ATOM 0 HB3 GLN A 47 8.311 0.612 -16.351 1.00 0.39 H new ATOM 0 HG2 GLN A 47 6.958 -1.600 -16.220 1.00 0.73 H new ATOM 0 HG3 GLN A 47 5.948 -0.802 -15.030 1.00 0.73 H new ATOM 0 HE21 GLN A 47 7.453 -0.076 -18.239 1.00 0.79 H new ATOM 0 HE22 GLN A 47 6.058 0.803 -18.873 1.00 0.79 H new ATOM 460 N ILE A 48 10.957 0.033 -13.720 1.00 0.29 N ATOM 461 CA ILE A 48 12.056 0.841 -13.144 1.00 0.42 C ATOM 462 C ILE A 48 12.763 1.756 -14.152 1.00 0.38 C ATOM 463 O ILE A 48 13.527 1.310 -14.984 1.00 0.40 O ATOM 464 CB ILE A 48 13.108 -0.090 -12.545 1.00 0.55 C ATOM 465 CG1 ILE A 48 12.592 -1.451 -11.999 1.00 0.96 C ATOM 466 CG2 ILE A 48 13.765 0.715 -11.402 1.00 0.49 C ATOM 467 CD1 ILE A 48 11.981 -1.323 -10.644 1.00 0.67 C ATOM 0 H ILE A 48 11.196 -0.945 -13.882 1.00 0.29 H new ATOM 0 HA ILE A 48 11.589 1.481 -12.395 1.00 0.42 H new ATOM 0 HB ILE A 48 13.789 -0.382 -13.344 1.00 0.55 H new ATOM 0 HG12 ILE A 48 11.855 -1.861 -12.690 1.00 0.96 H new ATOM 0 HG13 ILE A 48 13.419 -2.160 -11.957 1.00 0.96 H new ATOM 0 HG21 ILE A 48 14.534 0.107 -10.924 1.00 0.49 H new ATOM 0 HG22 ILE A 48 14.218 1.620 -11.808 1.00 0.49 H new ATOM 0 HG23 ILE A 48 13.008 0.987 -10.666 1.00 0.49 H new ATOM 0 HD11 ILE A 48 11.636 -2.300 -10.307 1.00 0.67 H new ATOM 0 HD12 ILE A 48 12.724 -0.939 -9.945 1.00 0.67 H new ATOM 0 HD13 ILE A 48 11.136 -0.636 -10.689 1.00 0.67 H new ATOM 479 N ILE A 49 12.493 3.014 -14.042 1.00 0.40 N ATOM 480 CA ILE A 49 13.107 4.032 -14.940 1.00 0.52 C ATOM 481 C ILE A 49 14.236 4.767 -14.202 1.00 0.56 C ATOM 482 O ILE A 49 14.223 4.809 -12.992 1.00 0.52 O ATOM 483 CB ILE A 49 12.015 4.950 -15.326 1.00 0.62 C ATOM 484 CG1 ILE A 49 11.155 4.057 -16.258 1.00 0.64 C ATOM 485 CG2 ILE A 49 12.631 6.233 -15.968 1.00 0.87 C ATOM 486 CD1 ILE A 49 10.044 4.839 -16.764 1.00 0.39 C ATOM 0 H ILE A 49 11.853 3.399 -13.347 1.00 0.40 H new ATOM 0 HA ILE A 49 13.556 3.583 -15.826 1.00 0.52 H new ATOM 0 HB ILE A 49 11.396 5.351 -14.523 1.00 0.62 H new ATOM 0 HG12 ILE A 49 11.759 3.682 -17.084 1.00 0.64 H new ATOM 0 HG13 ILE A 49 10.787 3.188 -15.713 1.00 0.64 H new ATOM 0 HG21 ILE A 49 11.831 6.916 -16.256 1.00 0.87 H new ATOM 0 HG22 ILE A 49 13.285 6.723 -15.246 1.00 0.87 H new ATOM 0 HG23 ILE A 49 13.208 5.957 -16.851 1.00 0.87 H new ATOM 0 HD11 ILE A 49 9.433 4.220 -17.421 1.00 0.39 H new ATOM 0 HD12 ILE A 49 9.438 5.192 -15.930 1.00 0.39 H new ATOM 0 HD13 ILE A 49 10.425 5.694 -17.322 1.00 0.39 H new ATOM 498 N VAL A 50 15.170 5.338 -14.912 1.00 0.64 N ATOM 499 CA VAL A 50 16.300 6.075 -14.292 1.00 0.69 C ATOM 500 C VAL A 50 16.333 7.537 -14.791 1.00 0.64 C ATOM 501 O VAL A 50 16.175 7.783 -15.971 1.00 0.63 O ATOM 502 CB VAL A 50 17.639 5.387 -14.651 1.00 0.68 C ATOM 503 CG1 VAL A 50 18.748 6.039 -13.816 1.00 0.66 C ATOM 504 CG2 VAL A 50 17.606 3.879 -14.314 1.00 0.73 C ATOM 0 H VAL A 50 15.194 5.321 -15.932 1.00 0.64 H new ATOM 0 HA VAL A 50 16.161 6.069 -13.211 1.00 0.69 H new ATOM 0 HB VAL A 50 17.815 5.501 -15.721 1.00 0.68 H new ATOM 0 HG11 VAL A 50 19.704 5.571 -14.051 1.00 0.66 H new ATOM 0 HG12 VAL A 50 18.799 7.103 -14.046 1.00 0.66 H new ATOM 0 HG13 VAL A 50 18.531 5.907 -12.756 1.00 0.66 H new ATOM 0 HG21 VAL A 50 18.562 3.426 -14.578 1.00 0.73 H new ATOM 0 HG22 VAL A 50 17.425 3.748 -13.247 1.00 0.73 H new ATOM 0 HG23 VAL A 50 16.808 3.397 -14.879 1.00 0.73 H new ATOM 514 N LEU A 51 16.529 8.462 -13.888 1.00 0.62 N ATOM 515 CA LEU A 51 16.590 9.920 -14.210 1.00 0.56 C ATOM 516 C LEU A 51 17.649 10.616 -13.312 1.00 0.43 C ATOM 517 O LEU A 51 18.539 9.989 -12.760 1.00 0.67 O ATOM 518 CB LEU A 51 15.194 10.528 -13.964 1.00 0.60 C ATOM 519 CG LEU A 51 14.948 10.662 -12.428 1.00 0.55 C ATOM 520 CD1 LEU A 51 14.198 11.958 -12.086 1.00 0.47 C ATOM 521 CD2 LEU A 51 14.155 9.494 -11.979 1.00 0.74 C ATOM 0 H LEU A 51 16.655 8.256 -12.897 1.00 0.62 H new ATOM 0 HA LEU A 51 16.878 10.066 -15.251 1.00 0.56 H new ATOM 0 HB2 LEU A 51 15.122 11.505 -14.441 1.00 0.60 H new ATOM 0 HB3 LEU A 51 14.427 9.897 -14.412 1.00 0.60 H new ATOM 0 HG LEU A 51 15.911 10.696 -11.919 1.00 0.55 H new ATOM 0 HD11 LEU A 51 14.045 12.016 -11.008 1.00 0.47 H new ATOM 0 HD12 LEU A 51 14.784 12.816 -12.416 1.00 0.47 H new ATOM 0 HD13 LEU A 51 13.232 11.963 -12.590 1.00 0.47 H new ATOM 0 HD21 LEU A 51 13.972 9.569 -10.907 1.00 0.74 H new ATOM 0 HD22 LEU A 51 13.203 9.475 -12.509 1.00 0.74 H new ATOM 0 HD23 LEU A 51 14.706 8.577 -12.190 1.00 0.74 H new ATOM 759 N ASP A 66 2.565 1.499 -11.967 1.00 0.45 N ATOM 760 CA ASP A 66 3.466 0.425 -12.448 1.00 0.39 C ATOM 761 C ASP A 66 4.933 0.837 -12.528 1.00 0.30 C ATOM 762 O ASP A 66 5.824 0.030 -12.387 1.00 0.23 O ATOM 763 CB ASP A 66 2.894 0.025 -13.813 1.00 0.45 C ATOM 764 CG ASP A 66 1.378 -0.028 -13.687 1.00 0.88 C ATOM 765 OD1 ASP A 66 0.901 -1.029 -13.189 1.00 1.83 O ATOM 766 OD2 ASP A 66 0.801 0.969 -14.090 1.00 1.11 O ATOM 0 HA ASP A 66 3.488 -0.408 -11.746 1.00 0.39 H new ATOM 0 HB2 ASP A 66 3.189 0.745 -14.576 1.00 0.45 H new ATOM 0 HB3 ASP A 66 3.285 -0.944 -14.122 1.00 0.45 H new ATOM 771 N ARG A 67 5.234 2.078 -12.723 1.00 0.43 N ATOM 772 CA ARG A 67 6.687 2.457 -12.815 1.00 0.49 C ATOM 773 C ARG A 67 7.277 3.113 -11.581 1.00 0.40 C ATOM 774 O ARG A 67 6.585 3.334 -10.609 1.00 0.35 O ATOM 775 CB ARG A 67 6.798 3.350 -14.043 1.00 0.86 C ATOM 776 CG ARG A 67 6.520 4.822 -13.782 1.00 1.09 C ATOM 777 CD ARG A 67 6.588 5.505 -15.137 1.00 0.82 C ATOM 778 NE ARG A 67 5.332 5.096 -15.843 1.00 0.99 N ATOM 779 CZ ARG A 67 5.329 4.294 -16.840 1.00 2.42 C ATOM 780 NH1 ARG A 67 5.804 4.713 -17.943 1.00 2.48 N ATOM 781 NH2 ARG A 67 4.839 3.128 -16.660 1.00 3.96 N ATOM 0 H ARG A 67 4.566 2.843 -12.823 1.00 0.43 H new ATOM 0 HA ARG A 67 7.284 1.549 -12.896 1.00 0.49 H new ATOM 0 HB2 ARG A 67 7.801 3.251 -14.458 1.00 0.86 H new ATOM 0 HB3 ARG A 67 6.102 2.991 -14.801 1.00 0.86 H new ATOM 0 HG2 ARG A 67 5.540 4.959 -13.324 1.00 1.09 H new ATOM 0 HG3 ARG A 67 7.255 5.243 -13.095 1.00 1.09 H new ATOM 0 HD2 ARG A 67 6.645 6.588 -15.030 1.00 0.82 H new ATOM 0 HD3 ARG A 67 7.472 5.192 -15.692 1.00 0.82 H new ATOM 0 HE ARG A 67 4.442 5.472 -15.516 1.00 0.99 H new ATOM 0 HH11 ARG A 67 6.172 5.662 -18.012 1.00 2.48 H new ATOM 0 HH12 ARG A 67 5.817 4.100 -18.758 1.00 2.48 H new ATOM 0 HH21 ARG A 67 4.469 2.866 -15.746 1.00 3.96 H new ATOM 0 HH22 ARG A 67 4.818 2.459 -17.430 1.00 3.96 H new ATOM 795 N VAL A 68 8.554 3.317 -11.667 1.00 0.46 N ATOM 796 CA VAL A 68 9.322 3.972 -10.569 1.00 0.45 C ATOM 797 C VAL A 68 10.357 4.787 -11.319 1.00 0.46 C ATOM 798 O VAL A 68 10.803 4.346 -12.354 1.00 0.53 O ATOM 799 CB VAL A 68 10.009 2.897 -9.629 1.00 0.43 C ATOM 800 CG1 VAL A 68 10.863 3.577 -8.520 1.00 0.40 C ATOM 801 CG2 VAL A 68 8.900 2.070 -8.943 1.00 0.43 C ATOM 0 H VAL A 68 9.119 3.051 -12.474 1.00 0.46 H new ATOM 0 HA VAL A 68 8.698 4.573 -9.908 1.00 0.45 H new ATOM 0 HB VAL A 68 10.661 2.270 -10.238 1.00 0.43 H new ATOM 0 HG11 VAL A 68 11.320 2.812 -7.893 1.00 0.40 H new ATOM 0 HG12 VAL A 68 11.643 4.182 -8.981 1.00 0.40 H new ATOM 0 HG13 VAL A 68 10.224 4.214 -7.908 1.00 0.40 H new ATOM 0 HG21 VAL A 68 9.353 1.324 -8.291 1.00 0.43 H new ATOM 0 HG22 VAL A 68 8.266 2.731 -8.352 1.00 0.43 H new ATOM 0 HG23 VAL A 68 8.297 1.571 -9.701 1.00 0.43 H new ATOM 811 N ARG A 69 10.699 5.921 -10.814 1.00 0.53 N ATOM 812 CA ARG A 69 11.714 6.797 -11.464 1.00 0.53 C ATOM 813 C ARG A 69 12.936 6.612 -10.548 1.00 0.54 C ATOM 814 O ARG A 69 12.738 6.574 -9.350 1.00 0.52 O ATOM 815 CB ARG A 69 11.204 8.240 -11.430 1.00 0.52 C ATOM 816 CG ARG A 69 11.029 8.834 -12.831 1.00 1.43 C ATOM 817 CD ARG A 69 11.056 10.351 -12.608 1.00 1.64 C ATOM 818 NE ARG A 69 11.558 11.006 -13.870 1.00 1.79 N ATOM 819 CZ ARG A 69 11.145 12.158 -14.283 1.00 1.94 C ATOM 820 NH1 ARG A 69 9.903 12.299 -14.488 1.00 1.70 N ATOM 821 NH2 ARG A 69 11.994 13.095 -14.465 1.00 2.88 N ATOM 0 H ARG A 69 10.310 6.298 -9.950 1.00 0.53 H new ATOM 0 HA ARG A 69 11.932 6.565 -12.507 1.00 0.53 H new ATOM 0 HB2 ARG A 69 10.250 8.272 -10.904 1.00 0.52 H new ATOM 0 HB3 ARG A 69 11.902 8.855 -10.863 1.00 0.52 H new ATOM 0 HG2 ARG A 69 11.829 8.516 -13.500 1.00 1.43 H new ATOM 0 HG3 ARG A 69 10.090 8.515 -13.283 1.00 1.43 H new ATOM 0 HD2 ARG A 69 10.059 10.716 -12.361 1.00 1.64 H new ATOM 0 HD3 ARG A 69 11.704 10.600 -11.767 1.00 1.64 H new ATOM 0 HE ARG A 69 12.259 10.515 -14.425 1.00 1.79 H new ATOM 0 HH11 ARG A 69 9.268 11.518 -14.327 1.00 1.70 H new ATOM 0 HH12 ARG A 69 9.538 13.194 -14.814 1.00 1.70 H new ATOM 0 HH21 ARG A 69 12.984 12.928 -14.284 1.00 2.88 H new ATOM 0 HH22 ARG A 69 11.682 14.010 -14.791 1.00 2.88 H new ATOM 835 N LEU A 70 14.125 6.515 -11.066 1.00 0.54 N ATOM 836 CA LEU A 70 15.266 6.334 -10.098 1.00 0.49 C ATOM 837 C LEU A 70 16.132 7.588 -10.140 1.00 0.54 C ATOM 838 O LEU A 70 16.586 7.906 -11.215 1.00 0.74 O ATOM 839 CB LEU A 70 16.065 5.072 -10.522 1.00 0.46 C ATOM 840 CG LEU A 70 15.850 4.000 -9.419 1.00 0.38 C ATOM 841 CD1 LEU A 70 16.289 2.628 -9.897 1.00 0.42 C ATOM 842 CD2 LEU A 70 16.746 4.289 -8.261 1.00 0.50 C ATOM 0 H LEU A 70 14.362 6.549 -12.058 1.00 0.54 H new ATOM 0 HA LEU A 70 14.913 6.193 -9.076 1.00 0.49 H new ATOM 0 HB2 LEU A 70 15.719 4.704 -11.488 1.00 0.46 H new ATOM 0 HB3 LEU A 70 17.124 5.306 -10.630 1.00 0.46 H new ATOM 0 HG LEU A 70 14.791 4.021 -9.162 1.00 0.38 H new ATOM 0 HD11 LEU A 70 16.127 1.898 -9.104 1.00 0.42 H new ATOM 0 HD12 LEU A 70 15.708 2.346 -10.775 1.00 0.42 H new ATOM 0 HD13 LEU A 70 17.348 2.654 -10.155 1.00 0.42 H new ATOM 0 HD21 LEU A 70 16.595 3.536 -7.487 1.00 0.50 H new ATOM 0 HD22 LEU A 70 17.785 4.267 -8.590 1.00 0.50 H new ATOM 0 HD23 LEU A 70 16.514 5.275 -7.858 1.00 0.50 H new ATOM 854 N ALA A 71 16.369 8.278 -9.051 1.00 0.40 N ATOM 855 CA ALA A 71 17.225 9.499 -9.166 1.00 0.46 C ATOM 856 C ALA A 71 18.670 9.144 -8.758 1.00 0.45 C ATOM 857 O ALA A 71 19.044 9.154 -7.601 1.00 0.43 O ATOM 858 CB ALA A 71 16.626 10.578 -8.253 1.00 0.52 C ATOM 0 H ALA A 71 16.021 8.059 -8.118 1.00 0.40 H new ATOM 0 HA ALA A 71 17.253 9.874 -10.189 1.00 0.46 H new ATOM 0 HB1 ALA A 71 17.230 11.483 -8.315 1.00 0.52 H new ATOM 0 HB2 ALA A 71 15.607 10.799 -8.571 1.00 0.52 H new ATOM 0 HB3 ALA A 71 16.615 10.219 -7.224 1.00 0.52 H new ATOM 864 N VAL A 72 19.461 8.839 -9.742 1.00 0.48 N ATOM 865 CA VAL A 72 20.886 8.473 -9.456 1.00 0.48 C ATOM 866 C VAL A 72 21.813 9.621 -9.800 1.00 0.56 C ATOM 867 O VAL A 72 21.502 10.484 -10.608 1.00 0.67 O ATOM 868 CB VAL A 72 21.330 7.270 -10.304 1.00 0.51 C ATOM 869 CG1 VAL A 72 20.587 6.042 -9.894 1.00 0.46 C ATOM 870 CG2 VAL A 72 20.980 7.504 -11.757 1.00 0.59 C ATOM 0 H VAL A 72 19.194 8.825 -10.726 1.00 0.48 H new ATOM 0 HA VAL A 72 20.941 8.233 -8.394 1.00 0.48 H new ATOM 0 HB VAL A 72 22.404 7.149 -10.162 1.00 0.51 H new ATOM 0 HG11 VAL A 72 20.913 5.199 -10.504 1.00 0.46 H new ATOM 0 HG12 VAL A 72 20.787 5.829 -8.844 1.00 0.46 H new ATOM 0 HG13 VAL A 72 19.518 6.200 -10.035 1.00 0.46 H new ATOM 0 HG21 VAL A 72 21.298 6.647 -12.350 1.00 0.59 H new ATOM 0 HG22 VAL A 72 19.902 7.634 -11.855 1.00 0.59 H new ATOM 0 HG23 VAL A 72 21.487 8.401 -12.114 1.00 0.59 H new ATOM 880 N ASP A 73 22.961 9.630 -9.196 1.00 0.62 N ATOM 881 CA ASP A 73 23.911 10.728 -9.513 1.00 0.71 C ATOM 882 C ASP A 73 24.569 10.191 -10.806 1.00 0.63 C ATOM 883 O ASP A 73 23.975 9.461 -11.581 1.00 0.63 O ATOM 884 CB ASP A 73 24.973 10.875 -8.396 1.00 0.79 C ATOM 885 CG ASP A 73 25.809 9.610 -8.194 1.00 0.77 C ATOM 886 OD1 ASP A 73 25.362 8.556 -8.618 1.00 1.15 O ATOM 887 OD2 ASP A 73 26.861 9.812 -7.623 1.00 1.43 O ATOM 0 H ASP A 73 23.280 8.944 -8.512 1.00 0.62 H new ATOM 0 HA ASP A 73 23.444 11.708 -9.611 1.00 0.71 H new ATOM 0 HB2 ASP A 73 25.635 11.706 -8.639 1.00 0.79 H new ATOM 0 HB3 ASP A 73 24.475 11.128 -7.460 1.00 0.79 H new ATOM 892 N LYS A 74 25.765 10.631 -11.026 1.00 0.54 N ATOM 893 CA LYS A 74 26.559 10.219 -12.187 1.00 0.50 C ATOM 894 C LYS A 74 27.441 8.970 -11.890 1.00 0.56 C ATOM 895 O LYS A 74 28.224 8.547 -12.713 1.00 0.66 O ATOM 896 CB LYS A 74 27.275 11.553 -12.588 1.00 0.22 C ATOM 897 CG LYS A 74 26.185 12.753 -12.596 1.00 0.71 C ATOM 898 CD LYS A 74 24.795 12.289 -13.234 1.00 2.24 C ATOM 899 CE LYS A 74 23.545 12.927 -12.587 1.00 2.95 C ATOM 900 NZ LYS A 74 22.402 11.949 -12.779 1.00 4.04 N ATOM 0 H LYS A 74 26.242 11.292 -10.413 1.00 0.54 H new ATOM 0 HA LYS A 74 25.996 9.832 -13.036 1.00 0.50 H new ATOM 0 HB2 LYS A 74 28.077 11.777 -11.884 1.00 0.22 H new ATOM 0 HB3 LYS A 74 27.733 11.454 -13.572 1.00 0.22 H new ATOM 0 HG2 LYS A 74 26.019 13.100 -11.576 1.00 0.71 H new ATOM 0 HG3 LYS A 74 26.579 13.598 -13.160 1.00 0.71 H new ATOM 0 HD2 LYS A 74 24.800 12.529 -14.297 1.00 2.24 H new ATOM 0 HD3 LYS A 74 24.717 11.205 -13.152 1.00 2.24 H new ATOM 0 HE2 LYS A 74 23.714 13.120 -11.528 1.00 2.95 H new ATOM 0 HE3 LYS A 74 23.316 13.885 -13.053 1.00 2.95 H new ATOM 0 HZ1 LYS A 74 21.546 12.467 -13.064 1.00 4.04 H new ATOM 0 HZ2 LYS A 74 22.653 11.262 -13.519 1.00 4.04 H new ATOM 0 HZ3 LYS A 74 22.222 11.446 -11.887 1.00 4.04 H new ATOM 914 N LEU A 75 27.274 8.419 -10.719 1.00 0.55 N ATOM 915 CA LEU A 75 28.039 7.207 -10.267 1.00 0.61 C ATOM 916 C LEU A 75 26.988 6.125 -9.932 1.00 0.65 C ATOM 917 O LEU A 75 27.014 5.503 -8.885 1.00 0.63 O ATOM 918 CB LEU A 75 28.834 7.622 -9.038 1.00 0.57 C ATOM 919 CG LEU A 75 29.756 8.811 -9.292 1.00 0.53 C ATOM 920 CD1 LEU A 75 30.279 9.251 -7.921 1.00 0.49 C ATOM 921 CD2 LEU A 75 30.918 8.366 -10.187 1.00 0.61 C ATOM 0 H LEU A 75 26.613 8.770 -10.026 1.00 0.55 H new ATOM 0 HA LEU A 75 28.728 6.815 -11.015 1.00 0.61 H new ATOM 0 HB2 LEU A 75 28.143 7.872 -8.233 1.00 0.57 H new ATOM 0 HB3 LEU A 75 29.429 6.776 -8.695 1.00 0.57 H new ATOM 0 HG LEU A 75 29.238 9.630 -9.792 1.00 0.53 H new ATOM 0 HD11 LEU A 75 30.947 10.103 -8.043 1.00 0.49 H new ATOM 0 HD12 LEU A 75 29.440 9.536 -7.286 1.00 0.49 H new ATOM 0 HD13 LEU A 75 30.822 8.427 -7.457 1.00 0.49 H new ATOM 0 HD21 LEU A 75 31.580 9.212 -10.372 1.00 0.61 H new ATOM 0 HD22 LEU A 75 31.475 7.571 -9.691 1.00 0.61 H new ATOM 0 HD23 LEU A 75 30.527 7.998 -11.135 1.00 0.61 H new ATOM 933 N ASP A 76 26.102 6.002 -10.880 1.00 0.72 N ATOM 934 CA ASP A 76 24.954 5.043 -10.852 1.00 0.73 C ATOM 935 C ASP A 76 24.452 4.609 -9.445 1.00 0.61 C ATOM 936 O ASP A 76 24.016 3.491 -9.235 1.00 0.56 O ATOM 937 CB ASP A 76 25.353 3.783 -11.765 1.00 0.87 C ATOM 938 CG ASP A 76 26.846 3.435 -11.883 1.00 0.89 C ATOM 939 OD1 ASP A 76 27.464 3.302 -10.841 1.00 1.36 O ATOM 940 OD2 ASP A 76 27.287 3.317 -13.016 1.00 0.93 O ATOM 0 H ASP A 76 26.129 6.565 -11.730 1.00 0.72 H new ATOM 0 HA ASP A 76 24.087 5.571 -11.249 1.00 0.73 H new ATOM 0 HB2 ASP A 76 24.834 2.908 -11.375 1.00 0.87 H new ATOM 0 HB3 ASP A 76 24.969 3.961 -12.769 1.00 0.87 H new ATOM 945 N ASN A 77 24.520 5.538 -8.511 1.00 0.57 N ATOM 946 CA ASN A 77 24.061 5.273 -7.117 1.00 0.47 C ATOM 947 C ASN A 77 22.919 6.276 -6.890 1.00 0.42 C ATOM 948 O ASN A 77 22.884 7.369 -7.433 1.00 0.52 O ATOM 949 CB ASN A 77 25.266 5.450 -6.090 1.00 0.69 C ATOM 950 CG ASN A 77 25.950 6.814 -5.937 1.00 0.49 C ATOM 951 OD1 ASN A 77 25.595 7.624 -5.111 1.00 1.09 O ATOM 952 ND2 ASN A 77 26.943 7.128 -6.690 1.00 0.43 N ATOM 0 H ASN A 77 24.881 6.479 -8.666 1.00 0.57 H new ATOM 0 HA ASN A 77 23.713 4.252 -6.963 1.00 0.47 H new ATOM 0 HB2 ASN A 77 24.898 5.160 -5.106 1.00 0.69 H new ATOM 0 HB3 ASN A 77 26.036 4.730 -6.367 1.00 0.69 H new ATOM 0 HD21 ASN A 77 27.401 8.032 -6.579 1.00 0.43 H new ATOM 0 HD22 ASN A 77 27.273 6.473 -7.399 1.00 0.43 H new ATOM 959 N ILE A 78 22.026 5.825 -6.067 1.00 0.33 N ATOM 960 CA ILE A 78 20.821 6.628 -5.736 1.00 0.33 C ATOM 961 C ILE A 78 21.154 7.904 -5.013 1.00 0.34 C ATOM 962 O ILE A 78 21.487 7.908 -3.847 1.00 0.31 O ATOM 963 CB ILE A 78 19.862 5.758 -4.881 1.00 0.27 C ATOM 964 CG1 ILE A 78 19.620 4.363 -5.529 1.00 0.30 C ATOM 965 CG2 ILE A 78 18.452 6.483 -4.748 1.00 0.23 C ATOM 966 CD1 ILE A 78 19.576 4.486 -7.054 1.00 0.26 C ATOM 0 H ILE A 78 22.078 4.919 -5.600 1.00 0.33 H new ATOM 0 HA ILE A 78 20.342 6.920 -6.671 1.00 0.33 H new ATOM 0 HB ILE A 78 20.330 5.625 -3.905 1.00 0.27 H new ATOM 0 HG12 ILE A 78 20.413 3.676 -5.236 1.00 0.30 H new ATOM 0 HG13 ILE A 78 18.683 3.943 -5.164 1.00 0.30 H new ATOM 0 HG21 ILE A 78 17.782 5.868 -4.147 1.00 0.23 H new ATOM 0 HG22 ILE A 78 18.585 7.452 -4.267 1.00 0.23 H new ATOM 0 HG23 ILE A 78 18.022 6.626 -5.739 1.00 0.23 H new ATOM 0 HD11 ILE A 78 19.406 3.503 -7.494 1.00 0.26 H new ATOM 0 HD12 ILE A 78 18.767 5.157 -7.342 1.00 0.26 H new ATOM 0 HD13 ILE A 78 20.524 4.886 -7.414 1.00 0.26 H new ATOM 978 N ALA A 79 21.015 8.930 -5.797 1.00 0.40 N ATOM 979 CA ALA A 79 21.269 10.329 -5.367 1.00 0.41 C ATOM 980 C ALA A 79 20.032 10.764 -4.571 1.00 0.38 C ATOM 981 O ALA A 79 20.108 11.427 -3.556 1.00 0.33 O ATOM 982 CB ALA A 79 21.470 11.146 -6.659 1.00 0.49 C ATOM 0 H ALA A 79 20.720 8.850 -6.770 1.00 0.40 H new ATOM 0 HA ALA A 79 22.148 10.462 -4.736 1.00 0.41 H new ATOM 0 HB1 ALA A 79 21.661 12.188 -6.404 1.00 0.49 H new ATOM 0 HB2 ALA A 79 22.319 10.746 -7.214 1.00 0.49 H new ATOM 0 HB3 ALA A 79 20.572 11.082 -7.274 1.00 0.49 H new ATOM 988 N GLN A 80 18.908 10.370 -5.081 1.00 0.42 N ATOM 989 CA GLN A 80 17.649 10.729 -4.389 1.00 0.45 C ATOM 990 C GLN A 80 16.543 9.684 -4.492 1.00 0.58 C ATOM 991 O GLN A 80 16.521 8.843 -5.378 1.00 0.79 O ATOM 992 CB GLN A 80 17.222 12.109 -4.949 1.00 0.75 C ATOM 993 CG GLN A 80 17.137 13.101 -3.727 1.00 0.77 C ATOM 994 CD GLN A 80 16.976 14.540 -4.194 1.00 1.19 C ATOM 995 OE1 GLN A 80 17.899 15.325 -4.263 1.00 2.34 O ATOM 996 NE2 GLN A 80 15.807 14.945 -4.543 1.00 0.78 N ATOM 0 H GLN A 80 18.805 9.822 -5.935 1.00 0.42 H new ATOM 0 HA GLN A 80 17.829 10.773 -3.315 1.00 0.45 H new ATOM 0 HB2 GLN A 80 17.943 12.466 -5.685 1.00 0.75 H new ATOM 0 HB3 GLN A 80 16.259 12.038 -5.455 1.00 0.75 H new ATOM 0 HG2 GLN A 80 16.296 12.827 -3.091 1.00 0.77 H new ATOM 0 HG3 GLN A 80 18.038 13.012 -3.120 1.00 0.77 H new ATOM 0 HE21 GLN A 80 15.012 14.308 -4.496 1.00 0.78 H new ATOM 0 HE22 GLN A 80 15.675 15.903 -4.867 1.00 0.78 H new ATOM 1005 N VAL A 81 15.685 9.858 -3.521 1.00 0.53 N ATOM 1006 CA VAL A 81 14.480 9.016 -3.308 1.00 0.60 C ATOM 1007 C VAL A 81 13.811 8.735 -4.657 1.00 0.69 C ATOM 1008 O VAL A 81 13.173 9.636 -5.177 1.00 0.83 O ATOM 1009 CB VAL A 81 13.490 9.760 -2.377 1.00 0.76 C ATOM 1010 CG1 VAL A 81 12.375 8.765 -1.984 1.00 0.80 C ATOM 1011 CG2 VAL A 81 14.168 10.248 -1.075 1.00 0.68 C ATOM 0 H VAL A 81 15.784 10.599 -2.827 1.00 0.53 H new ATOM 0 HA VAL A 81 14.769 8.072 -2.846 1.00 0.60 H new ATOM 0 HB VAL A 81 13.107 10.630 -2.910 1.00 0.76 H new ATOM 0 HG11 VAL A 81 11.660 9.260 -1.327 1.00 0.80 H new ATOM 0 HG12 VAL A 81 11.863 8.419 -2.882 1.00 0.80 H new ATOM 0 HG13 VAL A 81 12.814 7.913 -1.466 1.00 0.80 H new ATOM 0 HG21 VAL A 81 13.435 10.764 -0.454 1.00 0.68 H new ATOM 0 HG22 VAL A 81 14.567 9.393 -0.530 1.00 0.68 H new ATOM 0 HG23 VAL A 81 14.980 10.932 -1.322 1.00 0.68 H new ATOM 1021 N PRO A 82 13.957 7.544 -5.179 1.00 0.58 N ATOM 1022 CA PRO A 82 13.315 7.186 -6.471 1.00 0.61 C ATOM 1023 C PRO A 82 11.850 6.901 -6.009 1.00 0.61 C ATOM 1024 O PRO A 82 11.682 6.377 -4.924 1.00 0.63 O ATOM 1025 CB PRO A 82 14.259 6.039 -6.871 1.00 0.49 C ATOM 1026 CG PRO A 82 14.465 5.268 -5.598 1.00 0.40 C ATOM 1027 CD PRO A 82 14.735 6.402 -4.598 1.00 0.43 C ATOM 0 HA PRO A 82 13.212 7.842 -7.335 1.00 0.61 H new ATOM 0 HB2 PRO A 82 13.819 5.414 -7.648 1.00 0.49 H new ATOM 0 HB3 PRO A 82 15.202 6.419 -7.264 1.00 0.49 H new ATOM 0 HG2 PRO A 82 13.587 4.681 -5.327 1.00 0.40 H new ATOM 0 HG3 PRO A 82 15.303 4.574 -5.669 1.00 0.40 H new ATOM 0 HD2 PRO A 82 14.393 6.148 -3.595 1.00 0.43 H new ATOM 0 HD3 PRO A 82 15.798 6.632 -4.524 1.00 0.43 H new ATOM 1035 N ARG A 83 10.832 7.224 -6.760 1.00 0.54 N ATOM 1036 CA ARG A 83 9.416 6.959 -6.286 1.00 0.47 C ATOM 1037 C ARG A 83 8.621 6.207 -7.352 1.00 0.38 C ATOM 1038 O ARG A 83 9.138 6.086 -8.438 1.00 0.41 O ATOM 1039 CB ARG A 83 8.837 8.345 -5.957 1.00 0.58 C ATOM 1040 CG ARG A 83 9.747 8.965 -4.845 1.00 0.81 C ATOM 1041 CD ARG A 83 9.123 10.230 -4.322 1.00 0.93 C ATOM 1042 NE ARG A 83 9.959 10.635 -3.132 1.00 1.59 N ATOM 1043 CZ ARG A 83 9.407 10.997 -2.039 1.00 1.55 C ATOM 1044 NH1 ARG A 83 8.753 10.113 -1.417 1.00 1.80 N ATOM 1045 NH2 ARG A 83 9.562 12.204 -1.689 1.00 2.43 N ATOM 0 H ARG A 83 10.905 7.659 -7.680 1.00 0.54 H new ATOM 0 HA ARG A 83 9.375 6.315 -5.408 1.00 0.47 H new ATOM 0 HB2 ARG A 83 8.825 8.979 -6.844 1.00 0.58 H new ATOM 0 HB3 ARG A 83 7.807 8.261 -5.611 1.00 0.58 H new ATOM 0 HG2 ARG A 83 9.881 8.251 -4.032 1.00 0.81 H new ATOM 0 HG3 ARG A 83 10.737 9.177 -5.249 1.00 0.81 H new ATOM 0 HD2 ARG A 83 9.122 11.010 -5.083 1.00 0.93 H new ATOM 0 HD3 ARG A 83 8.085 10.065 -4.033 1.00 0.93 H new ATOM 0 HE ARG A 83 10.976 10.619 -3.202 1.00 1.59 H new ATOM 0 HH11 ARG A 83 8.687 9.167 -1.794 1.00 1.80 H new ATOM 0 HH12 ARG A 83 8.291 10.345 -0.538 1.00 1.80 H new ATOM 0 HH21 ARG A 83 10.108 12.838 -2.272 1.00 2.43 H new ATOM 0 HH22 ARG A 83 9.141 12.542 -0.824 1.00 2.43 H new ATOM 1059 N VAL A 84 7.430 5.731 -7.092 1.00 0.42 N ATOM 1060 CA VAL A 84 6.633 4.983 -8.134 1.00 0.41 C ATOM 1061 C VAL A 84 6.029 5.873 -9.217 1.00 0.39 C ATOM 1062 O VAL A 84 6.421 5.929 -10.371 1.00 0.84 O ATOM 1063 CB VAL A 84 5.517 4.192 -7.360 1.00 0.38 C ATOM 1064 CG1 VAL A 84 4.418 3.696 -8.305 1.00 0.29 C ATOM 1065 CG2 VAL A 84 6.088 2.978 -6.744 1.00 0.54 C ATOM 0 H VAL A 84 6.962 5.826 -6.191 1.00 0.42 H new ATOM 0 HA VAL A 84 7.301 4.318 -8.681 1.00 0.41 H new ATOM 0 HB VAL A 84 5.111 4.880 -6.619 1.00 0.38 H new ATOM 0 HG11 VAL A 84 3.664 3.154 -7.734 1.00 0.29 H new ATOM 0 HG12 VAL A 84 3.954 4.548 -8.802 1.00 0.29 H new ATOM 0 HG13 VAL A 84 4.853 3.033 -9.053 1.00 0.29 H new ATOM 0 HG21 VAL A 84 5.306 2.438 -6.211 1.00 0.54 H new ATOM 0 HG22 VAL A 84 6.506 2.338 -7.521 1.00 0.54 H new ATOM 0 HG23 VAL A 84 6.875 3.261 -6.045 1.00 0.54 H new