USER MOD reduce.3.24.130724 H: found=0, std=0, add=941, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 934 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 50 HIS : no HD1:sc= -3.55! C(o=-4.2!,f=-9.9!) USER MOD Set 1.2: A 51 ASN :FLIP amide:sc= -0.67 F(o=-8.5!,f=-4.2) USER MOD Set 1.3: A 105 LYS NZ :NH3+ 180:sc=-0.00716 (180deg=0) USER MOD Set 2.1: A 54 ASN : amide:sc= -0.531 K(o=-0.018,f=-1.7!) USER MOD Set 2.2: A 103 THR OG1 : rot -18:sc= 0.513 USER MOD Set 3.1: A 60 SER OG : rot 180:sc= -0.193 USER MOD Set 3.2: A 61 SER OG : rot 117:sc= 0.417 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot -60:sc= -0.129! USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -1.91! C(o=-1.9!,f=-1.8!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00471) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -120:sc= -1.07! USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN :FLIP amide:sc= -0.27 F(o=-1.1,f=-0.27) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= -8.9! C(o=-8.9!,f=-8.9!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -0.404 X(o=-0.4,f=-0.62) USER MOD Single : A 45 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HD1:sc= -0.407 X(o=-0.41,f=0.071) USER MOD Single : A 58 LYS NZ :NH3+ 152:sc= 0 (180deg=-0.497) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 111:sc= -2.64 USER MOD Single : A 74 HIS : no HD1:sc= -15.1! C(o=-15!,f=-17!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -3.3! C(o=-3.3!,f=-3.8!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0.0168 USER MOD Single : A 94 ASN : amide:sc= -0.259 X(o=-0.26,f=-0.26) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 ASN : amide:sc= -0.0187 K(o=-0.019,f=-0.56) USER MOD Single : A 99 HIS : no HD1:sc= -26.1! C(o=-26!,f=-26!) USER MOD Single : A 101 ASN : amide:sc= -2.74! C(o=-2.7!,f=-2.7!) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot -29:sc= 1.08 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 59.992 -11.413 -5.114 1.00 0.00 N ATOM 2 CA GLY A 1 59.468 -10.071 -5.300 1.00 0.00 C ATOM 3 C GLY A 1 58.532 -9.684 -4.154 1.00 0.00 C ATOM 4 O GLY A 1 57.388 -9.295 -4.386 1.00 0.00 O ATOM 0 H1 GLY A 1 60.624 -11.652 -5.905 1.00 0.00 H new ATOM 0 H2 GLY A 1 60.523 -11.458 -4.221 1.00 0.00 H new ATOM 0 H3 GLY A 1 59.205 -12.092 -5.083 1.00 0.00 H new ATOM 0 HA2 GLY A 1 60.292 -9.360 -5.357 1.00 0.00 H new ATOM 0 HA3 GLY A 1 58.932 -10.014 -6.247 1.00 0.00 H new ATOM 8 N ILE A 2 59.052 -9.803 -2.941 1.00 0.00 N ATOM 9 CA ILE A 2 58.276 -9.471 -1.758 1.00 0.00 C ATOM 10 C ILE A 2 57.096 -10.436 -1.640 1.00 0.00 C ATOM 11 O ILE A 2 56.624 -10.972 -2.641 1.00 0.00 O ATOM 12 CB ILE A 2 57.865 -7.997 -1.784 1.00 0.00 C ATOM 13 CG1 ILE A 2 58.618 -7.199 -0.718 1.00 0.00 C ATOM 14 CG2 ILE A 2 56.349 -7.848 -1.647 1.00 0.00 C ATOM 15 CD1 ILE A 2 58.566 -5.699 -1.016 1.00 0.00 C ATOM 0 H ILE A 2 60.001 -10.125 -2.752 1.00 0.00 H new ATOM 0 HA ILE A 2 58.880 -9.594 -0.859 1.00 0.00 H new ATOM 0 HB ILE A 2 58.143 -7.582 -2.753 1.00 0.00 H new ATOM 0 HG12 ILE A 2 58.183 -7.394 0.262 1.00 0.00 H new ATOM 0 HG13 ILE A 2 59.656 -7.529 -0.677 1.00 0.00 H new ATOM 0 HG21 ILE A 2 56.084 -6.791 -1.668 1.00 0.00 H new ATOM 0 HG22 ILE A 2 55.857 -8.362 -2.472 1.00 0.00 H new ATOM 0 HG23 ILE A 2 56.024 -8.284 -0.702 1.00 0.00 H new ATOM 0 HD11 ILE A 2 59.109 -5.155 -0.243 1.00 0.00 H new ATOM 0 HD12 ILE A 2 59.024 -5.505 -1.986 1.00 0.00 H new ATOM 0 HD13 ILE A 2 57.528 -5.367 -1.032 1.00 0.00 H new ATOM 27 N PRO A 3 56.640 -10.635 -0.374 1.00 0.00 N ATOM 28 CA PRO A 3 55.523 -11.526 -0.111 1.00 0.00 C ATOM 29 C PRO A 3 54.198 -10.882 -0.524 1.00 0.00 C ATOM 30 O PRO A 3 54.188 -9.856 -1.201 1.00 0.00 O ATOM 31 CB PRO A 3 55.600 -11.825 1.377 1.00 0.00 C ATOM 32 CG PRO A 3 56.468 -10.731 1.978 1.00 0.00 C ATOM 33 CD PRO A 3 57.174 -10.017 0.837 1.00 0.00 C ATOM 0 HA PRO A 3 55.574 -12.447 -0.692 1.00 0.00 H new ATOM 0 HB2 PRO A 3 54.607 -11.827 1.827 1.00 0.00 H new ATOM 0 HB3 PRO A 3 56.033 -12.809 1.556 1.00 0.00 H new ATOM 0 HG2 PRO A 3 55.858 -10.030 2.548 1.00 0.00 H new ATOM 0 HG3 PRO A 3 57.195 -11.157 2.670 1.00 0.00 H new ATOM 0 HD2 PRO A 3 56.974 -8.946 0.856 1.00 0.00 H new ATOM 0 HD3 PRO A 3 58.255 -10.141 0.901 1.00 0.00 H new ATOM 41 N ASP A 4 53.113 -11.512 -0.099 1.00 0.00 N ATOM 42 CA ASP A 4 51.786 -11.014 -0.416 1.00 0.00 C ATOM 43 C ASP A 4 51.534 -9.719 0.358 1.00 0.00 C ATOM 44 O ASP A 4 51.429 -9.734 1.584 1.00 0.00 O ATOM 45 CB ASP A 4 50.708 -12.022 -0.014 1.00 0.00 C ATOM 46 CG ASP A 4 49.385 -11.891 -0.771 1.00 0.00 C ATOM 47 OD1 ASP A 4 49.453 -11.620 -1.990 1.00 0.00 O ATOM 48 OD2 ASP A 4 48.336 -12.065 -0.115 1.00 0.00 O ATOM 0 H ASP A 4 53.126 -12.363 0.463 1.00 0.00 H new ATOM 0 HA ASP A 4 51.738 -10.845 -1.492 1.00 0.00 H new ATOM 0 HB2 ASP A 4 51.098 -13.028 -0.166 1.00 0.00 H new ATOM 0 HB3 ASP A 4 50.511 -11.914 1.053 1.00 0.00 H new ATOM 53 N LEU A 5 51.444 -8.628 -0.389 1.00 0.00 N ATOM 54 CA LEU A 5 51.207 -7.327 0.212 1.00 0.00 C ATOM 55 C LEU A 5 52.053 -7.193 1.480 1.00 0.00 C ATOM 56 O LEU A 5 51.717 -7.760 2.518 1.00 0.00 O ATOM 57 CB LEU A 5 49.710 -7.110 0.447 1.00 0.00 C ATOM 58 CG LEU A 5 48.917 -6.567 -0.744 1.00 0.00 C ATOM 59 CD1 LEU A 5 48.159 -7.690 -1.455 1.00 0.00 C ATOM 60 CD2 LEU A 5 47.986 -5.432 -0.311 1.00 0.00 C ATOM 0 H LEU A 5 51.531 -8.619 -1.405 1.00 0.00 H new ATOM 0 HA LEU A 5 51.519 -6.533 -0.466 1.00 0.00 H new ATOM 0 HB2 LEU A 5 49.268 -8.059 0.750 1.00 0.00 H new ATOM 0 HB3 LEU A 5 49.590 -6.421 1.283 1.00 0.00 H new ATOM 0 HG LEU A 5 49.622 -6.149 -1.462 1.00 0.00 H new ATOM 0 HD11 LEU A 5 47.604 -7.278 -2.297 1.00 0.00 H new ATOM 0 HD12 LEU A 5 48.868 -8.435 -1.817 1.00 0.00 H new ATOM 0 HD13 LEU A 5 47.465 -8.159 -0.758 1.00 0.00 H new ATOM 0 HD21 LEU A 5 47.434 -5.064 -1.176 1.00 0.00 H new ATOM 0 HD22 LEU A 5 47.284 -5.802 0.436 1.00 0.00 H new ATOM 0 HD23 LEU A 5 48.576 -4.620 0.115 1.00 0.00 H new ATOM 72 N VAL A 6 53.135 -6.439 1.353 1.00 0.00 N ATOM 73 CA VAL A 6 54.033 -6.223 2.476 1.00 0.00 C ATOM 74 C VAL A 6 53.339 -5.340 3.515 1.00 0.00 C ATOM 75 O VAL A 6 52.484 -5.810 4.263 1.00 0.00 O ATOM 76 CB VAL A 6 55.357 -5.638 1.982 1.00 0.00 C ATOM 77 CG1 VAL A 6 56.278 -5.299 3.155 1.00 0.00 C ATOM 78 CG2 VAL A 6 56.045 -6.590 1.001 1.00 0.00 C ATOM 0 H VAL A 6 53.410 -5.970 0.490 1.00 0.00 H new ATOM 0 HA VAL A 6 54.273 -7.169 2.961 1.00 0.00 H new ATOM 0 HB VAL A 6 55.137 -4.712 1.451 1.00 0.00 H new ATOM 0 HG11 VAL A 6 57.212 -4.885 2.776 1.00 0.00 H new ATOM 0 HG12 VAL A 6 55.792 -4.567 3.800 1.00 0.00 H new ATOM 0 HG13 VAL A 6 56.487 -6.203 3.726 1.00 0.00 H new ATOM 0 HG21 VAL A 6 56.984 -6.150 0.665 1.00 0.00 H new ATOM 0 HG22 VAL A 6 56.246 -7.540 1.496 1.00 0.00 H new ATOM 0 HG23 VAL A 6 55.396 -6.759 0.142 1.00 0.00 H new ATOM 88 N LYS A 7 53.734 -4.075 3.528 1.00 0.00 N ATOM 89 CA LYS A 7 53.162 -3.122 4.463 1.00 0.00 C ATOM 90 C LYS A 7 51.836 -2.600 3.905 1.00 0.00 C ATOM 91 O LYS A 7 51.497 -1.432 4.091 1.00 0.00 O ATOM 92 CB LYS A 7 54.170 -2.018 4.788 1.00 0.00 C ATOM 93 CG LYS A 7 54.873 -2.291 6.119 1.00 0.00 C ATOM 94 CD LYS A 7 56.318 -2.742 5.893 1.00 0.00 C ATOM 95 CE LYS A 7 57.258 -2.106 6.919 1.00 0.00 C ATOM 96 NZ LYS A 7 58.501 -2.898 7.044 1.00 0.00 N ATOM 0 H LYS A 7 54.444 -3.688 2.906 1.00 0.00 H new ATOM 0 HA LYS A 7 52.940 -3.607 5.413 1.00 0.00 H new ATOM 0 HB2 LYS A 7 54.909 -1.949 3.990 1.00 0.00 H new ATOM 0 HB3 LYS A 7 53.659 -1.056 4.833 1.00 0.00 H new ATOM 0 HG2 LYS A 7 54.861 -1.390 6.732 1.00 0.00 H new ATOM 0 HG3 LYS A 7 54.330 -3.059 6.670 1.00 0.00 H new ATOM 0 HD2 LYS A 7 56.379 -3.828 5.963 1.00 0.00 H new ATOM 0 HD3 LYS A 7 56.635 -2.469 4.886 1.00 0.00 H new ATOM 0 HE2 LYS A 7 57.498 -1.086 6.618 1.00 0.00 H new ATOM 0 HE3 LYS A 7 56.761 -2.044 7.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 59.128 -2.452 7.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 58.268 -3.863 7.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 58.983 -2.936 6.123 1.00 0.00 H new ATOM 110 N GLY A 8 51.123 -3.490 3.232 1.00 0.00 N ATOM 111 CA GLY A 8 49.842 -3.134 2.645 1.00 0.00 C ATOM 112 C GLY A 8 50.033 -2.330 1.358 1.00 0.00 C ATOM 113 O GLY A 8 49.399 -1.293 1.169 1.00 0.00 O ATOM 0 H GLY A 8 51.408 -4.458 3.080 1.00 0.00 H new ATOM 0 HA2 GLY A 8 49.272 -4.038 2.432 1.00 0.00 H new ATOM 0 HA3 GLY A 8 49.260 -2.551 3.359 1.00 0.00 H new ATOM 117 N PRO A 9 50.934 -2.851 0.483 1.00 0.00 N ATOM 118 CA PRO A 9 51.217 -2.193 -0.782 1.00 0.00 C ATOM 119 C PRO A 9 50.075 -2.405 -1.777 1.00 0.00 C ATOM 120 O PRO A 9 49.852 -3.521 -2.244 1.00 0.00 O ATOM 121 CB PRO A 9 52.533 -2.792 -1.251 1.00 0.00 C ATOM 122 CG PRO A 9 52.702 -4.088 -0.474 1.00 0.00 C ATOM 123 CD PRO A 9 51.704 -4.077 0.672 1.00 0.00 C ATOM 0 HA PRO A 9 51.300 -1.111 -0.684 1.00 0.00 H new ATOM 0 HB2 PRO A 9 52.516 -2.980 -2.325 1.00 0.00 H new ATOM 0 HB3 PRO A 9 53.362 -2.111 -1.060 1.00 0.00 H new ATOM 0 HG2 PRO A 9 52.530 -4.947 -1.122 1.00 0.00 H new ATOM 0 HG3 PRO A 9 53.720 -4.175 -0.093 1.00 0.00 H new ATOM 0 HD2 PRO A 9 51.061 -4.956 0.645 1.00 0.00 H new ATOM 0 HD3 PRO A 9 52.210 -4.082 1.637 1.00 0.00 H new ATOM 131 N TRP A 10 49.381 -1.315 -2.073 1.00 0.00 N ATOM 132 CA TRP A 10 48.267 -1.367 -3.005 1.00 0.00 C ATOM 133 C TRP A 10 48.616 -0.488 -4.208 1.00 0.00 C ATOM 134 O TRP A 10 48.726 -0.981 -5.330 1.00 0.00 O ATOM 135 CB TRP A 10 46.962 -0.955 -2.323 1.00 0.00 C ATOM 136 CG TRP A 10 46.477 -1.943 -1.259 1.00 0.00 C ATOM 137 CD1 TRP A 10 47.202 -2.570 -0.323 1.00 0.00 C ATOM 138 CD2 TRP A 10 45.121 -2.395 -1.060 1.00 0.00 C ATOM 139 NE1 TRP A 10 46.417 -3.389 0.462 1.00 0.00 N ATOM 140 CE2 TRP A 10 45.110 -3.279 -0.001 1.00 0.00 C ATOM 141 CE3 TRP A 10 43.942 -2.067 -1.753 1.00 0.00 C ATOM 142 CZ2 TRP A 10 43.948 -3.909 0.461 1.00 0.00 C ATOM 143 CZ3 TRP A 10 42.789 -2.705 -1.279 1.00 0.00 C ATOM 144 CH2 TRP A 10 42.762 -3.598 -0.214 1.00 0.00 C ATOM 0 H TRP A 10 49.569 -0.391 -1.684 1.00 0.00 H new ATOM 0 HA TRP A 10 48.103 -2.387 -3.354 1.00 0.00 H new ATOM 0 HB2 TRP A 10 47.098 0.023 -1.861 1.00 0.00 H new ATOM 0 HB3 TRP A 10 46.187 -0.844 -3.081 1.00 0.00 H new ATOM 0 HD1 TRP A 10 48.268 -2.449 -0.199 1.00 0.00 H new ATOM 0 HE1 TRP A 10 46.736 -3.968 1.239 1.00 0.00 H new ATOM 0 HE3 TRP A 10 43.927 -1.378 -2.585 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 43.966 -4.597 1.293 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 41.855 -2.488 -1.776 1.00 0.00 H new ATOM 0 HH2 TRP A 10 41.830 -4.050 0.091 1.00 0.00 H new ATOM 155 N THR A 11 48.780 0.797 -3.933 1.00 0.00 N ATOM 156 CA THR A 11 49.114 1.749 -4.979 1.00 0.00 C ATOM 157 C THR A 11 47.911 1.976 -5.897 1.00 0.00 C ATOM 158 O THR A 11 46.868 1.346 -5.728 1.00 0.00 O ATOM 159 CB THR A 11 50.350 1.229 -5.715 1.00 0.00 C ATOM 160 OG1 THR A 11 49.818 0.418 -6.758 1.00 0.00 O ATOM 161 CG2 THR A 11 51.169 0.255 -4.866 1.00 0.00 C ATOM 0 H THR A 11 48.688 1.202 -3.001 1.00 0.00 H new ATOM 0 HA THR A 11 49.354 2.727 -4.562 1.00 0.00 H new ATOM 0 HB THR A 11 50.977 2.070 -6.010 1.00 0.00 H new ATOM 0 HG1 THR A 11 49.290 -0.310 -6.369 1.00 0.00 H new ATOM 0 HG21 THR A 11 52.035 -0.084 -5.435 1.00 0.00 H new ATOM 0 HG22 THR A 11 51.505 0.757 -3.959 1.00 0.00 H new ATOM 0 HG23 THR A 11 50.552 -0.603 -4.599 1.00 0.00 H new ATOM 169 N LYS A 12 48.096 2.878 -6.850 1.00 0.00 N ATOM 170 CA LYS A 12 47.040 3.196 -7.796 1.00 0.00 C ATOM 171 C LYS A 12 46.718 1.955 -8.631 1.00 0.00 C ATOM 172 O LYS A 12 45.676 1.894 -9.282 1.00 0.00 O ATOM 173 CB LYS A 12 47.420 4.419 -8.633 1.00 0.00 C ATOM 174 CG LYS A 12 46.262 4.847 -9.536 1.00 0.00 C ATOM 175 CD LYS A 12 45.742 6.231 -9.143 1.00 0.00 C ATOM 176 CE LYS A 12 46.501 7.333 -9.884 1.00 0.00 C ATOM 177 NZ LYS A 12 47.122 8.271 -8.923 1.00 0.00 N ATOM 0 H LYS A 12 48.962 3.399 -6.987 1.00 0.00 H new ATOM 0 HA LYS A 12 46.127 3.471 -7.268 1.00 0.00 H new ATOM 0 HB2 LYS A 12 47.696 5.243 -7.975 1.00 0.00 H new ATOM 0 HB3 LYS A 12 48.295 4.190 -9.242 1.00 0.00 H new ATOM 0 HG2 LYS A 12 46.592 4.860 -10.575 1.00 0.00 H new ATOM 0 HG3 LYS A 12 45.454 4.118 -9.467 1.00 0.00 H new ATOM 0 HD2 LYS A 12 44.678 6.302 -9.370 1.00 0.00 H new ATOM 0 HD3 LYS A 12 45.848 6.371 -8.067 1.00 0.00 H new ATOM 0 HE2 LYS A 12 47.270 6.890 -10.518 1.00 0.00 H new ATOM 0 HE3 LYS A 12 45.819 7.874 -10.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 47.633 9.013 -9.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 46.382 8.707 -8.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 47.788 7.754 -8.314 1.00 0.00 H new ATOM 191 N GLU A 13 47.632 0.997 -8.585 1.00 0.00 N ATOM 192 CA GLU A 13 47.459 -0.238 -9.330 1.00 0.00 C ATOM 193 C GLU A 13 46.301 -1.051 -8.748 1.00 0.00 C ATOM 194 O GLU A 13 45.394 -1.454 -9.475 1.00 0.00 O ATOM 195 CB GLU A 13 48.752 -1.057 -9.341 1.00 0.00 C ATOM 196 CG GLU A 13 48.457 -2.544 -9.551 1.00 0.00 C ATOM 197 CD GLU A 13 49.501 -3.186 -10.467 1.00 0.00 C ATOM 198 OE1 GLU A 13 50.685 -3.181 -10.069 1.00 0.00 O ATOM 199 OE2 GLU A 13 49.090 -3.667 -11.545 1.00 0.00 O ATOM 0 H GLU A 13 48.495 1.051 -8.043 1.00 0.00 H new ATOM 0 HA GLU A 13 47.218 0.014 -10.363 1.00 0.00 H new ATOM 0 HB2 GLU A 13 49.408 -0.697 -10.134 1.00 0.00 H new ATOM 0 HB3 GLU A 13 49.283 -0.917 -8.400 1.00 0.00 H new ATOM 0 HG2 GLU A 13 48.448 -3.056 -8.589 1.00 0.00 H new ATOM 0 HG3 GLU A 13 47.464 -2.664 -9.985 1.00 0.00 H new ATOM 206 N GLU A 14 46.368 -1.267 -7.442 1.00 0.00 N ATOM 207 CA GLU A 14 45.336 -2.023 -6.754 1.00 0.00 C ATOM 208 C GLU A 14 43.956 -1.437 -7.058 1.00 0.00 C ATOM 209 O GLU A 14 43.018 -2.173 -7.360 1.00 0.00 O ATOM 210 CB GLU A 14 45.596 -2.061 -5.247 1.00 0.00 C ATOM 211 CG GLU A 14 46.240 -3.386 -4.835 1.00 0.00 C ATOM 212 CD GLU A 14 47.484 -3.677 -5.677 1.00 0.00 C ATOM 213 OE1 GLU A 14 47.297 -4.085 -6.843 1.00 0.00 O ATOM 214 OE2 GLU A 14 48.594 -3.486 -5.134 1.00 0.00 O ATOM 0 H GLU A 14 47.122 -0.931 -6.842 1.00 0.00 H new ATOM 0 HA GLU A 14 45.361 -3.050 -7.119 1.00 0.00 H new ATOM 0 HB2 GLU A 14 46.247 -1.233 -4.966 1.00 0.00 H new ATOM 0 HB3 GLU A 14 44.658 -1.926 -4.709 1.00 0.00 H new ATOM 0 HG2 GLU A 14 46.511 -3.350 -3.780 1.00 0.00 H new ATOM 0 HG3 GLU A 14 45.520 -4.196 -4.952 1.00 0.00 H new ATOM 221 N ASP A 15 43.877 -0.117 -6.968 1.00 0.00 N ATOM 222 CA ASP A 15 42.627 0.576 -7.230 1.00 0.00 C ATOM 223 C ASP A 15 42.237 0.381 -8.696 1.00 0.00 C ATOM 224 O ASP A 15 41.260 -0.302 -8.997 1.00 0.00 O ATOM 225 CB ASP A 15 42.767 2.078 -6.974 1.00 0.00 C ATOM 226 CG ASP A 15 42.416 2.528 -5.554 1.00 0.00 C ATOM 227 OD1 ASP A 15 43.320 2.449 -4.694 1.00 0.00 O ATOM 228 OD2 ASP A 15 41.252 2.941 -5.361 1.00 0.00 O ATOM 0 H ASP A 15 44.657 0.490 -6.718 1.00 0.00 H new ATOM 0 HA ASP A 15 41.868 0.165 -6.564 1.00 0.00 H new ATOM 0 HB2 ASP A 15 43.794 2.374 -7.189 1.00 0.00 H new ATOM 0 HB3 ASP A 15 42.127 2.612 -7.677 1.00 0.00 H new ATOM 233 N GLN A 16 43.022 0.994 -9.571 1.00 0.00 N ATOM 234 CA GLN A 16 42.772 0.896 -10.999 1.00 0.00 C ATOM 235 C GLN A 16 42.300 -0.515 -11.359 1.00 0.00 C ATOM 236 O GLN A 16 41.560 -0.698 -12.324 1.00 0.00 O ATOM 237 CB GLN A 16 44.016 1.279 -11.801 1.00 0.00 C ATOM 238 CG GLN A 16 45.145 0.272 -11.578 1.00 0.00 C ATOM 239 CD GLN A 16 46.328 0.559 -12.505 1.00 0.00 C ATOM 240 OE1 GLN A 16 46.595 -0.160 -13.454 1.00 0.00 O ATOM 241 NE2 GLN A 16 47.020 1.646 -12.177 1.00 0.00 N ATOM 0 H GLN A 16 43.832 1.560 -9.318 1.00 0.00 H new ATOM 0 HA GLN A 16 41.982 1.600 -11.259 1.00 0.00 H new ATOM 0 HB2 GLN A 16 43.769 1.325 -12.862 1.00 0.00 H new ATOM 0 HB3 GLN A 16 44.349 2.275 -11.508 1.00 0.00 H new ATOM 0 HG2 GLN A 16 45.474 0.313 -10.540 1.00 0.00 H new ATOM 0 HG3 GLN A 16 44.776 -0.738 -11.756 1.00 0.00 H new ATOM 0 HE21 GLN A 16 46.742 2.203 -11.369 1.00 0.00 H new ATOM 0 HE22 GLN A 16 47.829 1.923 -12.733 1.00 0.00 H new ATOM 250 N LYS A 17 42.748 -1.475 -10.564 1.00 0.00 N ATOM 251 CA LYS A 17 42.382 -2.863 -10.788 1.00 0.00 C ATOM 252 C LYS A 17 40.892 -3.047 -10.488 1.00 0.00 C ATOM 253 O LYS A 17 40.066 -3.035 -11.400 1.00 0.00 O ATOM 254 CB LYS A 17 43.290 -3.794 -9.982 1.00 0.00 C ATOM 255 CG LYS A 17 44.373 -4.408 -10.871 1.00 0.00 C ATOM 256 CD LYS A 17 45.530 -4.953 -10.031 1.00 0.00 C ATOM 257 CE LYS A 17 46.395 -5.916 -10.846 1.00 0.00 C ATOM 258 NZ LYS A 17 47.312 -6.665 -9.960 1.00 0.00 N ATOM 0 H LYS A 17 43.361 -1.319 -9.764 1.00 0.00 H new ATOM 0 HA LYS A 17 42.534 -3.133 -11.833 1.00 0.00 H new ATOM 0 HB2 LYS A 17 43.755 -3.239 -9.167 1.00 0.00 H new ATOM 0 HB3 LYS A 17 42.694 -4.586 -9.529 1.00 0.00 H new ATOM 0 HG2 LYS A 17 43.944 -5.211 -11.470 1.00 0.00 H new ATOM 0 HG3 LYS A 17 44.747 -3.656 -11.566 1.00 0.00 H new ATOM 0 HD2 LYS A 17 46.142 -4.127 -9.669 1.00 0.00 H new ATOM 0 HD3 LYS A 17 45.137 -5.466 -9.154 1.00 0.00 H new ATOM 0 HE2 LYS A 17 45.759 -6.612 -11.392 1.00 0.00 H new ATOM 0 HE3 LYS A 17 46.969 -5.360 -11.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 47.892 -7.314 -10.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 47.931 -5.998 -9.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 46.758 -7.211 -9.269 1.00 0.00 H new ATOM 272 N VAL A 18 40.595 -3.213 -9.208 1.00 0.00 N ATOM 273 CA VAL A 18 39.220 -3.399 -8.777 1.00 0.00 C ATOM 274 C VAL A 18 38.315 -2.432 -9.543 1.00 0.00 C ATOM 275 O VAL A 18 37.184 -2.774 -9.885 1.00 0.00 O ATOM 276 CB VAL A 18 39.120 -3.236 -7.259 1.00 0.00 C ATOM 277 CG1 VAL A 18 37.666 -3.046 -6.822 1.00 0.00 C ATOM 278 CG2 VAL A 18 39.758 -4.425 -6.537 1.00 0.00 C ATOM 0 H VAL A 18 41.283 -3.223 -8.455 1.00 0.00 H new ATOM 0 HA VAL A 18 38.882 -4.410 -9.004 1.00 0.00 H new ATOM 0 HB VAL A 18 39.673 -2.339 -6.982 1.00 0.00 H new ATOM 0 HG11 VAL A 18 37.624 -2.933 -5.739 1.00 0.00 H new ATOM 0 HG12 VAL A 18 37.257 -2.154 -7.297 1.00 0.00 H new ATOM 0 HG13 VAL A 18 37.080 -3.916 -7.119 1.00 0.00 H new ATOM 0 HG21 VAL A 18 39.674 -4.284 -5.459 1.00 0.00 H new ATOM 0 HG22 VAL A 18 39.245 -5.343 -6.824 1.00 0.00 H new ATOM 0 HG23 VAL A 18 40.810 -4.496 -6.812 1.00 0.00 H new ATOM 288 N ILE A 19 38.847 -1.244 -9.790 1.00 0.00 N ATOM 289 CA ILE A 19 38.101 -0.225 -10.509 1.00 0.00 C ATOM 290 C ILE A 19 37.795 -0.725 -11.922 1.00 0.00 C ATOM 291 O ILE A 19 36.691 -1.192 -12.194 1.00 0.00 O ATOM 292 CB ILE A 19 38.849 1.109 -10.476 1.00 0.00 C ATOM 293 CG1 ILE A 19 38.701 1.788 -9.113 1.00 0.00 C ATOM 294 CG2 ILE A 19 38.398 2.018 -11.621 1.00 0.00 C ATOM 295 CD1 ILE A 19 38.685 0.754 -7.985 1.00 0.00 C ATOM 0 H ILE A 19 39.786 -0.964 -9.505 1.00 0.00 H new ATOM 0 HA ILE A 19 37.143 -0.039 -10.023 1.00 0.00 H new ATOM 0 HB ILE A 19 39.911 0.909 -10.622 1.00 0.00 H new ATOM 0 HG12 ILE A 19 39.523 2.487 -8.959 1.00 0.00 H new ATOM 0 HG13 ILE A 19 37.780 2.370 -9.091 1.00 0.00 H new ATOM 0 HG21 ILE A 19 38.945 2.960 -11.575 1.00 0.00 H new ATOM 0 HG22 ILE A 19 38.598 1.529 -12.574 1.00 0.00 H new ATOM 0 HG23 ILE A 19 37.330 2.214 -11.531 1.00 0.00 H new ATOM 0 HD11 ILE A 19 38.579 1.263 -7.027 1.00 0.00 H new ATOM 0 HD12 ILE A 19 37.847 0.072 -8.129 1.00 0.00 H new ATOM 0 HD13 ILE A 19 39.618 0.190 -7.995 1.00 0.00 H new ATOM 307 N GLU A 20 38.794 -0.609 -12.785 1.00 0.00 N ATOM 308 CA GLU A 20 38.646 -1.043 -14.164 1.00 0.00 C ATOM 309 C GLU A 20 37.951 -2.405 -14.220 1.00 0.00 C ATOM 310 O GLU A 20 37.045 -2.610 -15.026 1.00 0.00 O ATOM 311 CB GLU A 20 40.002 -1.091 -14.872 1.00 0.00 C ATOM 312 CG GLU A 20 40.505 0.319 -15.188 1.00 0.00 C ATOM 313 CD GLU A 20 40.752 0.490 -16.689 1.00 0.00 C ATOM 314 OE1 GLU A 20 39.779 0.298 -17.450 1.00 0.00 O ATOM 315 OE2 GLU A 20 41.909 0.808 -17.040 1.00 0.00 O ATOM 0 H GLU A 20 39.709 -0.221 -12.556 1.00 0.00 H new ATOM 0 HA GLU A 20 38.024 -0.317 -14.688 1.00 0.00 H new ATOM 0 HB2 GLU A 20 40.727 -1.607 -14.243 1.00 0.00 H new ATOM 0 HB3 GLU A 20 39.915 -1.665 -15.794 1.00 0.00 H new ATOM 0 HG2 GLU A 20 39.774 1.054 -14.850 1.00 0.00 H new ATOM 0 HG3 GLU A 20 41.427 0.511 -14.640 1.00 0.00 H new ATOM 322 N LEU A 21 38.401 -3.300 -13.352 1.00 0.00 N ATOM 323 CA LEU A 21 37.833 -4.636 -13.293 1.00 0.00 C ATOM 324 C LEU A 21 36.317 -4.533 -13.106 1.00 0.00 C ATOM 325 O LEU A 21 35.553 -4.905 -13.995 1.00 0.00 O ATOM 326 CB LEU A 21 38.530 -5.467 -12.214 1.00 0.00 C ATOM 327 CG LEU A 21 40.017 -5.747 -12.440 1.00 0.00 C ATOM 328 CD1 LEU A 21 40.739 -5.979 -11.111 1.00 0.00 C ATOM 329 CD2 LEU A 21 40.214 -6.913 -13.411 1.00 0.00 C ATOM 0 H LEU A 21 39.152 -3.126 -12.684 1.00 0.00 H new ATOM 0 HA LEU A 21 38.004 -5.165 -14.231 1.00 0.00 H new ATOM 0 HB2 LEU A 21 38.418 -4.953 -11.259 1.00 0.00 H new ATOM 0 HB3 LEU A 21 38.010 -6.421 -12.126 1.00 0.00 H new ATOM 0 HG LEU A 21 40.465 -4.866 -12.900 1.00 0.00 H new ATOM 0 HD11 LEU A 21 41.794 -6.176 -11.300 1.00 0.00 H new ATOM 0 HD12 LEU A 21 40.642 -5.092 -10.484 1.00 0.00 H new ATOM 0 HD13 LEU A 21 40.296 -6.834 -10.601 1.00 0.00 H new ATOM 0 HD21 LEU A 21 41.280 -7.091 -13.554 1.00 0.00 H new ATOM 0 HD22 LEU A 21 39.748 -7.810 -13.002 1.00 0.00 H new ATOM 0 HD23 LEU A 21 39.755 -6.670 -14.369 1.00 0.00 H new ATOM 341 N VAL A 22 35.929 -4.027 -11.945 1.00 0.00 N ATOM 342 CA VAL A 22 34.519 -3.871 -11.631 1.00 0.00 C ATOM 343 C VAL A 22 33.813 -3.184 -12.802 1.00 0.00 C ATOM 344 O VAL A 22 32.598 -3.299 -12.952 1.00 0.00 O ATOM 345 CB VAL A 22 34.358 -3.117 -10.310 1.00 0.00 C ATOM 346 CG1 VAL A 22 32.978 -2.463 -10.216 1.00 0.00 C ATOM 347 CG2 VAL A 22 34.608 -4.041 -9.116 1.00 0.00 C ATOM 0 H VAL A 22 36.566 -3.720 -11.210 1.00 0.00 H new ATOM 0 HA VAL A 22 34.048 -4.844 -11.494 1.00 0.00 H new ATOM 0 HB VAL A 22 35.107 -2.325 -10.284 1.00 0.00 H new ATOM 0 HG11 VAL A 22 32.890 -1.934 -9.267 1.00 0.00 H new ATOM 0 HG12 VAL A 22 32.853 -1.758 -11.038 1.00 0.00 H new ATOM 0 HG13 VAL A 22 32.207 -3.231 -10.276 1.00 0.00 H new ATOM 0 HG21 VAL A 22 34.487 -3.479 -8.190 1.00 0.00 H new ATOM 0 HG22 VAL A 22 33.894 -4.864 -9.137 1.00 0.00 H new ATOM 0 HG23 VAL A 22 35.622 -4.439 -9.170 1.00 0.00 H new ATOM 357 N LYS A 23 34.605 -2.485 -13.601 1.00 0.00 N ATOM 358 CA LYS A 23 34.072 -1.779 -14.753 1.00 0.00 C ATOM 359 C LYS A 23 33.724 -2.790 -15.848 1.00 0.00 C ATOM 360 O LYS A 23 32.717 -2.640 -16.539 1.00 0.00 O ATOM 361 CB LYS A 23 35.042 -0.688 -15.210 1.00 0.00 C ATOM 362 CG LYS A 23 35.546 -0.961 -16.628 1.00 0.00 C ATOM 363 CD LYS A 23 34.491 -0.581 -17.668 1.00 0.00 C ATOM 364 CE LYS A 23 34.637 -1.429 -18.933 1.00 0.00 C ATOM 365 NZ LYS A 23 35.223 -0.627 -20.030 1.00 0.00 N ATOM 0 H LYS A 23 35.613 -2.392 -13.473 1.00 0.00 H new ATOM 0 HA LYS A 23 33.149 -1.262 -14.489 1.00 0.00 H new ATOM 0 HB2 LYS A 23 34.546 0.282 -15.177 1.00 0.00 H new ATOM 0 HB3 LYS A 23 35.887 -0.637 -14.523 1.00 0.00 H new ATOM 0 HG2 LYS A 23 36.460 -0.395 -16.808 1.00 0.00 H new ATOM 0 HG3 LYS A 23 35.799 -2.016 -16.731 1.00 0.00 H new ATOM 0 HD2 LYS A 23 33.495 -0.718 -17.247 1.00 0.00 H new ATOM 0 HD3 LYS A 23 34.588 0.475 -17.921 1.00 0.00 H new ATOM 0 HE2 LYS A 23 35.270 -2.293 -18.728 1.00 0.00 H new ATOM 0 HE3 LYS A 23 33.662 -1.812 -19.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 35.315 -1.218 -20.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 34.605 0.183 -20.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 36.162 -0.282 -19.745 1.00 0.00 H new ATOM 379 N LYS A 24 34.576 -3.797 -15.972 1.00 0.00 N ATOM 380 CA LYS A 24 34.371 -4.831 -16.972 1.00 0.00 C ATOM 381 C LYS A 24 33.781 -6.073 -16.300 1.00 0.00 C ATOM 382 O LYS A 24 33.490 -7.065 -16.967 1.00 0.00 O ATOM 383 CB LYS A 24 35.669 -5.103 -17.735 1.00 0.00 C ATOM 384 CG LYS A 24 35.378 -5.533 -19.175 1.00 0.00 C ATOM 385 CD LYS A 24 35.767 -6.995 -19.400 1.00 0.00 C ATOM 386 CE LYS A 24 37.288 -7.153 -19.469 1.00 0.00 C ATOM 387 NZ LYS A 24 37.789 -6.760 -20.805 1.00 0.00 N ATOM 0 H LYS A 24 35.409 -3.919 -15.397 1.00 0.00 H new ATOM 0 HA LYS A 24 33.651 -4.500 -17.721 1.00 0.00 H new ATOM 0 HB2 LYS A 24 36.289 -4.206 -17.737 1.00 0.00 H new ATOM 0 HB3 LYS A 24 36.238 -5.882 -17.227 1.00 0.00 H new ATOM 0 HG2 LYS A 24 34.318 -5.397 -19.392 1.00 0.00 H new ATOM 0 HG3 LYS A 24 35.929 -4.896 -19.867 1.00 0.00 H new ATOM 0 HD2 LYS A 24 35.370 -7.609 -18.592 1.00 0.00 H new ATOM 0 HD3 LYS A 24 35.318 -7.356 -20.325 1.00 0.00 H new ATOM 0 HE2 LYS A 24 37.759 -6.538 -18.702 1.00 0.00 H new ATOM 0 HE3 LYS A 24 37.562 -8.187 -19.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 38.815 -6.921 -20.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 37.315 -7.330 -21.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 37.589 -5.753 -20.968 1.00 0.00 H new ATOM 401 N TYR A 25 33.623 -5.978 -14.988 1.00 0.00 N ATOM 402 CA TYR A 25 33.073 -7.081 -14.219 1.00 0.00 C ATOM 403 C TYR A 25 31.671 -6.747 -13.706 1.00 0.00 C ATOM 404 O TYR A 25 30.725 -7.498 -13.940 1.00 0.00 O ATOM 405 CB TYR A 25 34.009 -7.270 -13.023 1.00 0.00 C ATOM 406 CG TYR A 25 35.152 -8.255 -13.276 1.00 0.00 C ATOM 407 CD1 TYR A 25 35.956 -8.107 -14.388 1.00 0.00 C ATOM 408 CD2 TYR A 25 35.378 -9.291 -12.393 1.00 0.00 C ATOM 409 CE1 TYR A 25 37.032 -9.035 -14.626 1.00 0.00 C ATOM 410 CE2 TYR A 25 36.453 -10.218 -12.632 1.00 0.00 C ATOM 411 CZ TYR A 25 37.227 -10.044 -13.736 1.00 0.00 C ATOM 412 OH TYR A 25 38.243 -10.920 -13.961 1.00 0.00 O ATOM 0 H TYR A 25 33.866 -5.154 -14.438 1.00 0.00 H new ATOM 0 HA TYR A 25 32.996 -7.977 -14.835 1.00 0.00 H new ATOM 0 HB2 TYR A 25 34.431 -6.303 -12.749 1.00 0.00 H new ATOM 0 HB3 TYR A 25 33.426 -7.617 -12.170 1.00 0.00 H new ATOM 0 HD1 TYR A 25 35.779 -7.296 -15.079 1.00 0.00 H new ATOM 0 HD2 TYR A 25 34.749 -9.406 -11.523 1.00 0.00 H new ATOM 0 HE1 TYR A 25 37.669 -8.931 -15.492 1.00 0.00 H new ATOM 0 HE2 TYR A 25 36.641 -11.034 -11.949 1.00 0.00 H new ATOM 0 HH TYR A 25 38.264 -11.587 -13.244 1.00 0.00 H new ATOM 422 N GLY A 26 31.581 -5.619 -13.016 1.00 0.00 N ATOM 423 CA GLY A 26 30.310 -5.177 -12.469 1.00 0.00 C ATOM 424 C GLY A 26 30.296 -5.302 -10.944 1.00 0.00 C ATOM 425 O GLY A 26 30.703 -4.380 -10.238 1.00 0.00 O ATOM 0 H GLY A 26 32.367 -4.999 -12.824 1.00 0.00 H new ATOM 0 HA2 GLY A 26 30.128 -4.141 -12.754 1.00 0.00 H new ATOM 0 HA3 GLY A 26 29.501 -5.771 -12.894 1.00 0.00 H new ATOM 429 N THR A 27 29.825 -6.451 -10.481 1.00 0.00 N ATOM 430 CA THR A 27 29.753 -6.709 -9.053 1.00 0.00 C ATOM 431 C THR A 27 29.240 -8.126 -8.792 1.00 0.00 C ATOM 432 O THR A 27 28.485 -8.353 -7.847 1.00 0.00 O ATOM 433 CB THR A 27 28.884 -5.621 -8.419 1.00 0.00 C ATOM 434 OG1 THR A 27 28.163 -5.068 -9.517 1.00 0.00 O ATOM 435 CG2 THR A 27 29.709 -4.448 -7.886 1.00 0.00 C ATOM 0 H THR A 27 29.490 -7.213 -11.070 1.00 0.00 H new ATOM 0 HA THR A 27 30.740 -6.665 -8.593 1.00 0.00 H new ATOM 0 HB THR A 27 28.300 -6.052 -7.606 1.00 0.00 H new ATOM 0 HG1 THR A 27 28.369 -4.113 -9.596 1.00 0.00 H new ATOM 0 HG21 THR A 27 29.043 -3.705 -7.447 1.00 0.00 H new ATOM 0 HG22 THR A 27 30.404 -4.807 -7.127 1.00 0.00 H new ATOM 0 HG23 THR A 27 30.269 -3.995 -8.704 1.00 0.00 H new ATOM 443 N LYS A 28 29.670 -9.043 -9.646 1.00 0.00 N ATOM 444 CA LYS A 28 29.264 -10.432 -9.519 1.00 0.00 C ATOM 445 C LYS A 28 30.490 -11.292 -9.205 1.00 0.00 C ATOM 446 O LYS A 28 30.359 -12.466 -8.865 1.00 0.00 O ATOM 447 CB LYS A 28 28.501 -10.883 -10.767 1.00 0.00 C ATOM 448 CG LYS A 28 29.456 -11.110 -11.941 1.00 0.00 C ATOM 449 CD LYS A 28 29.616 -12.603 -12.237 1.00 0.00 C ATOM 450 CE LYS A 28 30.226 -12.824 -13.622 1.00 0.00 C ATOM 451 NZ LYS A 28 30.456 -14.267 -13.862 1.00 0.00 N ATOM 0 H LYS A 28 30.295 -8.851 -10.429 1.00 0.00 H new ATOM 0 HA LYS A 28 28.570 -10.551 -8.687 1.00 0.00 H new ATOM 0 HB2 LYS A 28 27.957 -11.803 -10.553 1.00 0.00 H new ATOM 0 HB3 LYS A 28 27.760 -10.130 -11.036 1.00 0.00 H new ATOM 0 HG2 LYS A 28 29.078 -10.599 -12.826 1.00 0.00 H new ATOM 0 HG3 LYS A 28 30.429 -10.675 -11.713 1.00 0.00 H new ATOM 0 HD2 LYS A 28 30.250 -13.062 -11.479 1.00 0.00 H new ATOM 0 HD3 LYS A 28 28.645 -13.095 -12.181 1.00 0.00 H new ATOM 0 HE2 LYS A 28 29.561 -12.423 -14.387 1.00 0.00 H new ATOM 0 HE3 LYS A 28 31.168 -12.281 -13.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 30.870 -14.400 -14.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 31.108 -14.639 -13.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 29.551 -14.777 -13.806 1.00 0.00 H new ATOM 465 N GLN A 29 31.655 -10.672 -9.329 1.00 0.00 N ATOM 466 CA GLN A 29 32.903 -11.365 -9.062 1.00 0.00 C ATOM 467 C GLN A 29 33.750 -10.570 -8.066 1.00 0.00 C ATOM 468 O GLN A 29 34.852 -10.133 -8.393 1.00 0.00 O ATOM 469 CB GLN A 29 33.676 -11.621 -10.357 1.00 0.00 C ATOM 470 CG GLN A 29 33.300 -12.975 -10.962 1.00 0.00 C ATOM 471 CD GLN A 29 33.885 -13.129 -12.367 1.00 0.00 C ATOM 472 OE1 GLN A 29 33.513 -12.175 -13.215 1.00 0.00 O flip ATOM 473 NE2 GLN A 29 34.624 -14.054 -12.662 1.00 0.00 N flip ATOM 0 H GLN A 29 31.760 -9.697 -9.611 1.00 0.00 H new ATOM 0 HA GLN A 29 32.670 -12.333 -8.619 1.00 0.00 H new ATOM 0 HB2 GLN A 29 33.465 -10.827 -11.074 1.00 0.00 H new ATOM 0 HB3 GLN A 29 34.747 -11.593 -10.157 1.00 0.00 H new ATOM 0 HG2 GLN A 29 33.666 -13.778 -10.322 1.00 0.00 H new ATOM 0 HG3 GLN A 29 32.215 -13.070 -11.004 1.00 0.00 H new ATOM 0 HE21 GLN A 29 34.870 -14.753 -11.962 1.00 0.00 H new ATOM 0 HE22 GLN A 29 34.996 -14.128 -13.609 1.00 0.00 H new ATOM 482 N TRP A 30 33.202 -10.406 -6.871 1.00 0.00 N ATOM 483 CA TRP A 30 33.893 -9.671 -5.825 1.00 0.00 C ATOM 484 C TRP A 30 35.243 -10.348 -5.584 1.00 0.00 C ATOM 485 O TRP A 30 36.151 -9.746 -5.012 1.00 0.00 O ATOM 486 CB TRP A 30 33.036 -9.578 -4.562 1.00 0.00 C ATOM 487 CG TRP A 30 31.926 -8.528 -4.637 1.00 0.00 C ATOM 488 CD1 TRP A 30 30.644 -8.706 -4.982 1.00 0.00 C ATOM 489 CD2 TRP A 30 32.054 -7.120 -4.346 1.00 0.00 C ATOM 490 NE1 TRP A 30 29.938 -7.520 -4.935 1.00 0.00 N ATOM 491 CE2 TRP A 30 30.823 -6.526 -4.536 1.00 0.00 C ATOM 492 CE3 TRP A 30 33.172 -6.373 -3.936 1.00 0.00 C ATOM 493 CZ2 TRP A 30 30.593 -5.159 -4.339 1.00 0.00 C ATOM 494 CZ3 TRP A 30 32.926 -5.009 -3.744 1.00 0.00 C ATOM 495 CH2 TRP A 30 31.693 -4.395 -3.930 1.00 0.00 C ATOM 0 H TRP A 30 32.287 -10.770 -6.604 1.00 0.00 H new ATOM 0 HA TRP A 30 34.071 -8.640 -6.131 1.00 0.00 H new ATOM 0 HB2 TRP A 30 32.587 -10.552 -4.368 1.00 0.00 H new ATOM 0 HB3 TRP A 30 33.681 -9.349 -3.714 1.00 0.00 H new ATOM 0 HD1 TRP A 30 30.216 -9.657 -5.262 1.00 0.00 H new ATOM 0 HE1 TRP A 30 28.949 -7.397 -5.153 1.00 0.00 H new ATOM 0 HE3 TRP A 30 34.144 -6.817 -3.781 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 29.620 -4.718 -4.494 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 33.753 -4.389 -3.429 1.00 0.00 H new ATOM 0 HH2 TRP A 30 31.584 -3.334 -3.760 1.00 0.00 H new ATOM 506 N THR A 31 35.333 -11.592 -6.032 1.00 0.00 N ATOM 507 CA THR A 31 36.557 -12.358 -5.871 1.00 0.00 C ATOM 508 C THR A 31 37.747 -11.590 -6.451 1.00 0.00 C ATOM 509 O THR A 31 38.836 -11.601 -5.878 1.00 0.00 O ATOM 510 CB THR A 31 36.346 -13.729 -6.519 1.00 0.00 C ATOM 511 OG1 THR A 31 36.626 -14.654 -5.472 1.00 0.00 O ATOM 512 CG2 THR A 31 37.398 -14.042 -7.584 1.00 0.00 C ATOM 0 H THR A 31 34.578 -12.088 -6.506 1.00 0.00 H new ATOM 0 HA THR A 31 36.791 -12.512 -4.818 1.00 0.00 H new ATOM 0 HB THR A 31 35.353 -13.769 -6.967 1.00 0.00 H new ATOM 0 HG1 THR A 31 36.512 -15.569 -5.804 1.00 0.00 H new ATOM 0 HG21 THR A 31 37.202 -15.025 -8.011 1.00 0.00 H new ATOM 0 HG22 THR A 31 37.354 -13.289 -8.371 1.00 0.00 H new ATOM 0 HG23 THR A 31 38.389 -14.035 -7.130 1.00 0.00 H new ATOM 520 N LEU A 32 37.499 -10.942 -7.579 1.00 0.00 N ATOM 521 CA LEU A 32 38.536 -10.170 -8.242 1.00 0.00 C ATOM 522 C LEU A 32 39.132 -9.168 -7.251 1.00 0.00 C ATOM 523 O LEU A 32 40.351 -9.079 -7.110 1.00 0.00 O ATOM 524 CB LEU A 32 37.991 -9.523 -9.517 1.00 0.00 C ATOM 525 CG LEU A 32 37.509 -8.077 -9.383 1.00 0.00 C ATOM 526 CD1 LEU A 32 38.681 -7.131 -9.117 1.00 0.00 C ATOM 527 CD2 LEU A 32 36.696 -7.654 -10.608 1.00 0.00 C ATOM 0 H LEU A 32 36.595 -10.936 -8.051 1.00 0.00 H new ATOM 0 HA LEU A 32 39.348 -10.822 -8.565 1.00 0.00 H new ATOM 0 HB2 LEU A 32 38.770 -9.556 -10.279 1.00 0.00 H new ATOM 0 HB3 LEU A 32 37.162 -10.129 -9.882 1.00 0.00 H new ATOM 0 HG LEU A 32 36.845 -8.017 -8.521 1.00 0.00 H new ATOM 0 HD11 LEU A 32 38.311 -6.110 -9.026 1.00 0.00 H new ATOM 0 HD12 LEU A 32 39.179 -7.420 -8.192 1.00 0.00 H new ATOM 0 HD13 LEU A 32 39.389 -7.188 -9.944 1.00 0.00 H new ATOM 0 HD21 LEU A 32 36.366 -6.622 -10.487 1.00 0.00 H new ATOM 0 HD22 LEU A 32 37.316 -7.734 -11.501 1.00 0.00 H new ATOM 0 HD23 LEU A 32 35.827 -8.304 -10.710 1.00 0.00 H new ATOM 539 N ILE A 33 38.245 -8.438 -6.590 1.00 0.00 N ATOM 540 CA ILE A 33 38.668 -7.446 -5.617 1.00 0.00 C ATOM 541 C ILE A 33 39.494 -8.129 -4.525 1.00 0.00 C ATOM 542 O ILE A 33 40.529 -7.612 -4.109 1.00 0.00 O ATOM 543 CB ILE A 33 37.462 -6.672 -5.082 1.00 0.00 C ATOM 544 CG1 ILE A 33 36.844 -5.797 -6.175 1.00 0.00 C ATOM 545 CG2 ILE A 33 37.838 -5.859 -3.842 1.00 0.00 C ATOM 546 CD1 ILE A 33 35.708 -6.533 -6.889 1.00 0.00 C ATOM 0 H ILE A 33 37.235 -8.514 -6.710 1.00 0.00 H new ATOM 0 HA ILE A 33 39.312 -6.702 -6.086 1.00 0.00 H new ATOM 0 HB ILE A 33 36.702 -7.392 -4.777 1.00 0.00 H new ATOM 0 HG12 ILE A 33 36.465 -4.874 -5.736 1.00 0.00 H new ATOM 0 HG13 ILE A 33 37.610 -5.515 -6.897 1.00 0.00 H new ATOM 0 HG21 ILE A 33 36.963 -5.318 -3.482 1.00 0.00 H new ATOM 0 HG22 ILE A 33 38.196 -6.530 -3.062 1.00 0.00 H new ATOM 0 HG23 ILE A 33 38.624 -5.148 -4.098 1.00 0.00 H new ATOM 0 HD11 ILE A 33 35.286 -5.889 -7.661 1.00 0.00 H new ATOM 0 HD12 ILE A 33 36.095 -7.443 -7.347 1.00 0.00 H new ATOM 0 HD13 ILE A 33 34.932 -6.792 -6.168 1.00 0.00 H new ATOM 558 N ALA A 34 39.004 -9.281 -4.091 1.00 0.00 N ATOM 559 CA ALA A 34 39.683 -10.041 -3.055 1.00 0.00 C ATOM 560 C ALA A 34 40.749 -10.931 -3.697 1.00 0.00 C ATOM 561 O ALA A 34 41.351 -11.768 -3.026 1.00 0.00 O ATOM 562 CB ALA A 34 38.657 -10.845 -2.255 1.00 0.00 C ATOM 0 H ALA A 34 38.145 -9.707 -4.438 1.00 0.00 H new ATOM 0 HA ALA A 34 40.188 -9.372 -2.358 1.00 0.00 H new ATOM 0 HB1 ALA A 34 39.167 -11.415 -1.478 1.00 0.00 H new ATOM 0 HB2 ALA A 34 37.940 -10.165 -1.795 1.00 0.00 H new ATOM 0 HB3 ALA A 34 38.132 -11.529 -2.921 1.00 0.00 H new ATOM 568 N LYS A 35 40.950 -10.720 -4.990 1.00 0.00 N ATOM 569 CA LYS A 35 41.932 -11.493 -5.730 1.00 0.00 C ATOM 570 C LYS A 35 43.075 -10.574 -6.166 1.00 0.00 C ATOM 571 O LYS A 35 44.244 -10.949 -6.084 1.00 0.00 O ATOM 572 CB LYS A 35 41.266 -12.238 -6.889 1.00 0.00 C ATOM 573 CG LYS A 35 42.269 -13.140 -7.610 1.00 0.00 C ATOM 574 CD LYS A 35 41.852 -13.372 -9.064 1.00 0.00 C ATOM 575 CE LYS A 35 43.012 -13.085 -10.019 1.00 0.00 C ATOM 576 NZ LYS A 35 43.871 -14.281 -10.165 1.00 0.00 N ATOM 0 H LYS A 35 40.449 -10.025 -5.543 1.00 0.00 H new ATOM 0 HA LYS A 35 42.367 -12.264 -5.094 1.00 0.00 H new ATOM 0 HB2 LYS A 35 40.438 -12.838 -6.512 1.00 0.00 H new ATOM 0 HB3 LYS A 35 40.845 -11.520 -7.593 1.00 0.00 H new ATOM 0 HG2 LYS A 35 43.259 -12.685 -7.580 1.00 0.00 H new ATOM 0 HG3 LYS A 35 42.342 -14.096 -7.092 1.00 0.00 H new ATOM 0 HD2 LYS A 35 41.518 -14.402 -9.191 1.00 0.00 H new ATOM 0 HD3 LYS A 35 41.006 -12.730 -9.310 1.00 0.00 H new ATOM 0 HE2 LYS A 35 42.624 -12.788 -10.993 1.00 0.00 H new ATOM 0 HE3 LYS A 35 43.602 -12.250 -9.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 44.653 -14.069 -10.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 44.256 -14.547 -9.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 43.308 -15.069 -10.545 1.00 0.00 H new ATOM 590 N HIS A 36 42.698 -9.388 -6.619 1.00 0.00 N ATOM 591 CA HIS A 36 43.676 -8.412 -7.068 1.00 0.00 C ATOM 592 C HIS A 36 44.224 -7.643 -5.864 1.00 0.00 C ATOM 593 O HIS A 36 45.350 -7.150 -5.898 1.00 0.00 O ATOM 594 CB HIS A 36 43.078 -7.493 -8.135 1.00 0.00 C ATOM 595 CG HIS A 36 42.558 -8.222 -9.351 1.00 0.00 C ATOM 596 ND1 HIS A 36 42.772 -7.773 -10.643 1.00 0.00 N ATOM 597 CD2 HIS A 36 41.834 -9.373 -9.459 1.00 0.00 C ATOM 598 CE1 HIS A 36 42.197 -8.622 -11.482 1.00 0.00 C ATOM 599 NE2 HIS A 36 41.615 -9.612 -10.746 1.00 0.00 N ATOM 0 H HIS A 36 41.728 -9.080 -6.685 1.00 0.00 H new ATOM 0 HA HIS A 36 44.514 -8.924 -7.541 1.00 0.00 H new ATOM 0 HB2 HIS A 36 42.264 -6.920 -7.692 1.00 0.00 H new ATOM 0 HB3 HIS A 36 43.837 -6.777 -8.450 1.00 0.00 H new ATOM 0 HD2 HIS A 36 41.496 -9.986 -8.637 1.00 0.00 H new ATOM 0 HE1 HIS A 36 42.190 -8.544 -12.559 1.00 0.00 H new ATOM 0 HE2 HIS A 36 41.097 -10.406 -11.123 1.00 0.00 H new ATOM 607 N LEU A 37 43.402 -7.566 -4.828 1.00 0.00 N ATOM 608 CA LEU A 37 43.789 -6.866 -3.615 1.00 0.00 C ATOM 609 C LEU A 37 44.118 -7.888 -2.524 1.00 0.00 C ATOM 610 O LEU A 37 43.470 -7.916 -1.480 1.00 0.00 O ATOM 611 CB LEU A 37 42.711 -5.859 -3.209 1.00 0.00 C ATOM 612 CG LEU A 37 42.083 -5.054 -4.349 1.00 0.00 C ATOM 613 CD1 LEU A 37 41.158 -3.964 -3.804 1.00 0.00 C ATOM 614 CD2 LEU A 37 43.159 -4.483 -5.274 1.00 0.00 C ATOM 0 H LEU A 37 42.469 -7.977 -4.804 1.00 0.00 H new ATOM 0 HA LEU A 37 44.692 -6.279 -3.786 1.00 0.00 H new ATOM 0 HB2 LEU A 37 41.917 -6.396 -2.689 1.00 0.00 H new ATOM 0 HB3 LEU A 37 43.145 -5.161 -2.493 1.00 0.00 H new ATOM 0 HG LEU A 37 41.470 -5.728 -4.947 1.00 0.00 H new ATOM 0 HD11 LEU A 37 40.724 -3.406 -4.634 1.00 0.00 H new ATOM 0 HD12 LEU A 37 40.361 -4.422 -3.219 1.00 0.00 H new ATOM 0 HD13 LEU A 37 41.729 -3.286 -3.170 1.00 0.00 H new ATOM 0 HD21 LEU A 37 42.686 -3.915 -6.075 1.00 0.00 H new ATOM 0 HD22 LEU A 37 43.818 -3.827 -4.705 1.00 0.00 H new ATOM 0 HD23 LEU A 37 43.741 -5.299 -5.702 1.00 0.00 H new ATOM 626 N LYS A 38 45.125 -8.702 -2.805 1.00 0.00 N ATOM 627 CA LYS A 38 45.548 -9.722 -1.861 1.00 0.00 C ATOM 628 C LYS A 38 45.884 -9.064 -0.521 1.00 0.00 C ATOM 629 O LYS A 38 45.482 -7.930 -0.264 1.00 0.00 O ATOM 630 CB LYS A 38 46.695 -10.550 -2.445 1.00 0.00 C ATOM 631 CG LYS A 38 46.392 -12.047 -2.356 1.00 0.00 C ATOM 632 CD LYS A 38 45.895 -12.586 -3.698 1.00 0.00 C ATOM 633 CE LYS A 38 46.164 -14.087 -3.820 1.00 0.00 C ATOM 634 NZ LYS A 38 46.555 -14.433 -5.205 1.00 0.00 N ATOM 0 H LYS A 38 45.660 -8.676 -3.673 1.00 0.00 H new ATOM 0 HA LYS A 38 44.739 -10.428 -1.675 1.00 0.00 H new ATOM 0 HB2 LYS A 38 46.857 -10.270 -3.486 1.00 0.00 H new ATOM 0 HB3 LYS A 38 47.617 -10.330 -1.908 1.00 0.00 H new ATOM 0 HG2 LYS A 38 47.290 -12.586 -2.053 1.00 0.00 H new ATOM 0 HG3 LYS A 38 45.640 -12.224 -1.588 1.00 0.00 H new ATOM 0 HD2 LYS A 38 44.826 -12.395 -3.797 1.00 0.00 H new ATOM 0 HD3 LYS A 38 46.390 -12.057 -4.512 1.00 0.00 H new ATOM 0 HE2 LYS A 38 46.955 -14.378 -3.129 1.00 0.00 H new ATOM 0 HE3 LYS A 38 45.272 -14.646 -3.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 46.734 -15.455 -5.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 45.788 -14.174 -5.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 47.419 -13.913 -5.462 1.00 0.00 H new ATOM 648 N GLY A 39 46.618 -9.803 0.297 1.00 0.00 N ATOM 649 CA GLY A 39 47.013 -9.305 1.604 1.00 0.00 C ATOM 650 C GLY A 39 46.125 -9.889 2.704 1.00 0.00 C ATOM 651 O GLY A 39 46.138 -9.410 3.837 1.00 0.00 O ATOM 0 H GLY A 39 46.950 -10.743 0.080 1.00 0.00 H new ATOM 0 HA2 GLY A 39 48.054 -9.564 1.796 1.00 0.00 H new ATOM 0 HA3 GLY A 39 46.947 -8.217 1.618 1.00 0.00 H new ATOM 655 N ARG A 40 45.374 -10.915 2.332 1.00 0.00 N ATOM 656 CA ARG A 40 44.481 -11.570 3.273 1.00 0.00 C ATOM 657 C ARG A 40 43.116 -10.878 3.278 1.00 0.00 C ATOM 658 O ARG A 40 43.032 -9.664 3.460 1.00 0.00 O ATOM 659 CB ARG A 40 45.061 -11.548 4.689 1.00 0.00 C ATOM 660 CG ARG A 40 44.698 -12.825 5.450 1.00 0.00 C ATOM 661 CD ARG A 40 43.581 -12.561 6.462 1.00 0.00 C ATOM 662 NE ARG A 40 44.162 -12.232 7.783 1.00 0.00 N ATOM 663 CZ ARG A 40 43.525 -11.532 8.731 1.00 0.00 C ATOM 664 NH1 ARG A 40 42.282 -11.083 8.510 1.00 0.00 N ATOM 665 NH2 ARG A 40 44.130 -11.281 9.899 1.00 0.00 N ATOM 0 H ARG A 40 45.365 -11.309 1.391 1.00 0.00 H new ATOM 0 HA ARG A 40 44.366 -12.606 2.955 1.00 0.00 H new ATOM 0 HB2 ARG A 40 46.145 -11.445 4.640 1.00 0.00 H new ATOM 0 HB3 ARG A 40 44.682 -10.679 5.228 1.00 0.00 H new ATOM 0 HG2 ARG A 40 44.381 -13.595 4.746 1.00 0.00 H new ATOM 0 HG3 ARG A 40 45.578 -13.208 5.966 1.00 0.00 H new ATOM 0 HD2 ARG A 40 42.953 -11.740 6.117 1.00 0.00 H new ATOM 0 HD3 ARG A 40 42.940 -13.439 6.546 1.00 0.00 H new ATOM 0 HE ARG A 40 45.107 -12.559 7.984 1.00 0.00 H new ATOM 0 HH11 ARG A 40 41.821 -11.274 7.620 1.00 0.00 H new ATOM 0 HH12 ARG A 40 41.796 -10.550 9.231 1.00 0.00 H new ATOM 0 HH21 ARG A 40 45.076 -11.623 10.067 1.00 0.00 H new ATOM 0 HH22 ARG A 40 43.645 -10.748 10.621 1.00 0.00 H new ATOM 679 N LEU A 41 42.081 -11.681 3.077 1.00 0.00 N ATOM 680 CA LEU A 41 40.724 -11.161 3.056 1.00 0.00 C ATOM 681 C LEU A 41 40.727 -9.766 2.427 1.00 0.00 C ATOM 682 O LEU A 41 41.054 -8.783 3.090 1.00 0.00 O ATOM 683 CB LEU A 41 40.113 -11.203 4.458 1.00 0.00 C ATOM 684 CG LEU A 41 39.329 -12.468 4.810 1.00 0.00 C ATOM 685 CD1 LEU A 41 37.947 -12.458 4.153 1.00 0.00 C ATOM 686 CD2 LEU A 41 40.125 -13.725 4.450 1.00 0.00 C ATOM 0 H LEU A 41 42.155 -12.687 2.927 1.00 0.00 H new ATOM 0 HA LEU A 41 40.084 -11.789 2.436 1.00 0.00 H new ATOM 0 HB2 LEU A 41 40.915 -11.082 5.186 1.00 0.00 H new ATOM 0 HB3 LEU A 41 39.450 -10.345 4.569 1.00 0.00 H new ATOM 0 HG LEU A 41 39.173 -12.483 5.889 1.00 0.00 H new ATOM 0 HD11 LEU A 41 37.411 -13.369 4.420 1.00 0.00 H new ATOM 0 HD12 LEU A 41 37.385 -11.591 4.501 1.00 0.00 H new ATOM 0 HD13 LEU A 41 38.059 -12.407 3.070 1.00 0.00 H new ATOM 0 HD21 LEU A 41 39.545 -14.610 4.711 1.00 0.00 H new ATOM 0 HD22 LEU A 41 40.333 -13.730 3.380 1.00 0.00 H new ATOM 0 HD23 LEU A 41 41.065 -13.731 5.003 1.00 0.00 H new ATOM 698 N GLY A 42 40.358 -9.724 1.155 1.00 0.00 N ATOM 699 CA GLY A 42 40.314 -8.466 0.430 1.00 0.00 C ATOM 700 C GLY A 42 39.988 -7.303 1.369 1.00 0.00 C ATOM 701 O GLY A 42 38.820 -7.001 1.608 1.00 0.00 O ATOM 0 H GLY A 42 40.087 -10.541 0.608 1.00 0.00 H new ATOM 0 HA2 GLY A 42 41.274 -8.288 -0.055 1.00 0.00 H new ATOM 0 HA3 GLY A 42 39.564 -8.523 -0.359 1.00 0.00 H new ATOM 705 N LYS A 43 41.043 -6.682 1.877 1.00 0.00 N ATOM 706 CA LYS A 43 40.884 -5.558 2.785 1.00 0.00 C ATOM 707 C LYS A 43 39.722 -4.684 2.309 1.00 0.00 C ATOM 708 O LYS A 43 39.837 -3.986 1.303 1.00 0.00 O ATOM 709 CB LYS A 43 42.204 -4.799 2.934 1.00 0.00 C ATOM 710 CG LYS A 43 42.304 -4.139 4.311 1.00 0.00 C ATOM 711 CD LYS A 43 42.371 -2.616 4.185 1.00 0.00 C ATOM 712 CE LYS A 43 42.785 -1.973 5.510 1.00 0.00 C ATOM 713 NZ LYS A 43 43.235 -0.581 5.293 1.00 0.00 N ATOM 0 H LYS A 43 42.011 -6.936 1.677 1.00 0.00 H new ATOM 0 HA LYS A 43 40.630 -5.909 3.785 1.00 0.00 H new ATOM 0 HB2 LYS A 43 43.040 -5.485 2.794 1.00 0.00 H new ATOM 0 HB3 LYS A 43 42.281 -4.039 2.156 1.00 0.00 H new ATOM 0 HG2 LYS A 43 41.442 -4.420 4.916 1.00 0.00 H new ATOM 0 HG3 LYS A 43 43.190 -4.504 4.830 1.00 0.00 H new ATOM 0 HD2 LYS A 43 43.083 -2.343 3.406 1.00 0.00 H new ATOM 0 HD3 LYS A 43 41.399 -2.230 3.878 1.00 0.00 H new ATOM 0 HE2 LYS A 43 41.945 -1.986 6.205 1.00 0.00 H new ATOM 0 HE3 LYS A 43 43.586 -2.553 5.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 43.512 -0.160 6.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 44.050 -0.576 4.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 42.460 -0.026 4.877 1.00 0.00 H new ATOM 727 N GLN A 44 38.629 -4.751 3.055 1.00 0.00 N ATOM 728 CA GLN A 44 37.447 -3.974 2.722 1.00 0.00 C ATOM 729 C GLN A 44 36.770 -4.546 1.475 1.00 0.00 C ATOM 730 O GLN A 44 36.987 -4.057 0.367 1.00 0.00 O ATOM 731 CB GLN A 44 37.798 -2.498 2.527 1.00 0.00 C ATOM 732 CG GLN A 44 38.521 -1.939 3.755 1.00 0.00 C ATOM 733 CD GLN A 44 38.869 -0.462 3.561 1.00 0.00 C ATOM 734 OE1 GLN A 44 38.187 0.278 2.870 1.00 0.00 O ATOM 735 NE2 GLN A 44 39.965 -0.075 4.208 1.00 0.00 N ATOM 0 H GLN A 44 38.537 -5.331 3.889 1.00 0.00 H new ATOM 0 HA GLN A 44 36.746 -4.040 3.554 1.00 0.00 H new ATOM 0 HB2 GLN A 44 38.429 -2.384 1.646 1.00 0.00 H new ATOM 0 HB3 GLN A 44 36.889 -1.925 2.344 1.00 0.00 H new ATOM 0 HG2 GLN A 44 37.891 -2.055 4.637 1.00 0.00 H new ATOM 0 HG3 GLN A 44 39.431 -2.510 3.937 1.00 0.00 H new ATOM 0 HE21 GLN A 44 40.489 -0.746 4.769 1.00 0.00 H new ATOM 0 HE22 GLN A 44 40.281 0.893 4.143 1.00 0.00 H new ATOM 744 N CYS A 45 35.964 -5.574 1.697 1.00 0.00 N ATOM 745 CA CYS A 45 35.254 -6.217 0.605 1.00 0.00 C ATOM 746 C CYS A 45 33.810 -5.711 0.606 1.00 0.00 C ATOM 747 O CYS A 45 33.089 -5.881 1.588 1.00 0.00 O ATOM 748 CB CYS A 45 35.323 -7.743 0.706 1.00 0.00 C ATOM 749 SG CYS A 45 35.569 -8.469 -0.956 1.00 0.00 S ATOM 0 H CYS A 45 35.787 -5.977 2.617 1.00 0.00 H new ATOM 0 HA CYS A 45 35.728 -5.958 -0.342 1.00 0.00 H new ATOM 0 HB2 CYS A 45 36.141 -8.036 1.365 1.00 0.00 H new ATOM 0 HB3 CYS A 45 34.404 -8.128 1.148 1.00 0.00 H new ATOM 0 HG CYS A 45 35.629 -9.764 -0.859 1.00 0.00 H new ATOM 755 N ARG A 46 33.430 -5.098 -0.506 1.00 0.00 N ATOM 756 CA ARG A 46 32.086 -4.566 -0.645 1.00 0.00 C ATOM 757 C ARG A 46 31.897 -3.354 0.269 1.00 0.00 C ATOM 758 O ARG A 46 31.341 -3.474 1.359 1.00 0.00 O ATOM 759 CB ARG A 46 31.036 -5.624 -0.301 1.00 0.00 C ATOM 760 CG ARG A 46 31.263 -6.905 -1.106 1.00 0.00 C ATOM 761 CD ARG A 46 30.537 -8.091 -0.467 1.00 0.00 C ATOM 762 NE ARG A 46 31.465 -9.234 -0.321 1.00 0.00 N ATOM 763 CZ ARG A 46 31.651 -10.175 -1.256 1.00 0.00 C ATOM 764 NH1 ARG A 46 30.974 -10.116 -2.411 1.00 0.00 N ATOM 765 NH2 ARG A 46 32.514 -11.176 -1.036 1.00 0.00 N ATOM 0 H ARG A 46 34.030 -4.958 -1.319 1.00 0.00 H new ATOM 0 HA ARG A 46 31.955 -4.265 -1.684 1.00 0.00 H new ATOM 0 HB2 ARG A 46 31.076 -5.848 0.765 1.00 0.00 H new ATOM 0 HB3 ARG A 46 30.040 -5.233 -0.507 1.00 0.00 H new ATOM 0 HG2 ARG A 46 30.909 -6.765 -2.127 1.00 0.00 H new ATOM 0 HG3 ARG A 46 32.331 -7.117 -1.165 1.00 0.00 H new ATOM 0 HD2 ARG A 46 30.144 -7.804 0.508 1.00 0.00 H new ATOM 0 HD3 ARG A 46 29.685 -8.380 -1.082 1.00 0.00 H new ATOM 0 HE ARG A 46 31.997 -9.310 0.546 1.00 0.00 H new ATOM 0 HH11 ARG A 46 30.317 -9.354 -2.579 1.00 0.00 H new ATOM 0 HH12 ARG A 46 31.116 -10.833 -3.123 1.00 0.00 H new ATOM 0 HH21 ARG A 46 33.029 -11.221 -0.157 1.00 0.00 H new ATOM 0 HH22 ARG A 46 32.656 -11.893 -1.748 1.00 0.00 H new ATOM 779 N GLU A 47 32.372 -2.213 -0.210 1.00 0.00 N ATOM 780 CA GLU A 47 32.263 -0.979 0.551 1.00 0.00 C ATOM 781 C GLU A 47 31.823 0.169 -0.360 1.00 0.00 C ATOM 782 O GLU A 47 30.668 0.590 -0.319 1.00 0.00 O ATOM 783 CB GLU A 47 33.582 -0.649 1.252 1.00 0.00 C ATOM 784 CG GLU A 47 33.346 -0.274 2.716 1.00 0.00 C ATOM 785 CD GLU A 47 34.438 0.671 3.223 1.00 0.00 C ATOM 786 OE1 GLU A 47 34.717 1.654 2.503 1.00 0.00 O ATOM 787 OE2 GLU A 47 34.968 0.389 4.319 1.00 0.00 O ATOM 0 H GLU A 47 32.833 -2.117 -1.115 1.00 0.00 H new ATOM 0 HA GLU A 47 31.505 -1.116 1.322 1.00 0.00 H new ATOM 0 HB2 GLU A 47 34.252 -1.507 1.196 1.00 0.00 H new ATOM 0 HB3 GLU A 47 34.075 0.175 0.737 1.00 0.00 H new ATOM 0 HG2 GLU A 47 32.371 0.202 2.821 1.00 0.00 H new ATOM 0 HG3 GLU A 47 33.328 -1.176 3.328 1.00 0.00 H new ATOM 794 N ARG A 48 32.767 0.642 -1.160 1.00 0.00 N ATOM 795 CA ARG A 48 32.492 1.733 -2.079 1.00 0.00 C ATOM 796 C ARG A 48 31.685 1.227 -3.277 1.00 0.00 C ATOM 797 O ARG A 48 31.040 2.011 -3.971 1.00 0.00 O ATOM 798 CB ARG A 48 33.789 2.372 -2.580 1.00 0.00 C ATOM 799 CG ARG A 48 33.789 3.881 -2.327 1.00 0.00 C ATOM 800 CD ARG A 48 33.822 4.186 -0.828 1.00 0.00 C ATOM 801 NE ARG A 48 33.128 5.465 -0.556 1.00 0.00 N ATOM 802 CZ ARG A 48 33.181 6.114 0.615 1.00 0.00 C ATOM 803 NH1 ARG A 48 33.896 5.609 1.629 1.00 0.00 N ATOM 804 NH2 ARG A 48 32.520 7.269 0.771 1.00 0.00 N ATOM 0 H ARG A 48 33.724 0.289 -1.191 1.00 0.00 H new ATOM 0 HA ARG A 48 31.916 2.484 -1.539 1.00 0.00 H new ATOM 0 HB2 ARG A 48 34.642 1.915 -2.077 1.00 0.00 H new ATOM 0 HB3 ARG A 48 33.906 2.178 -3.646 1.00 0.00 H new ATOM 0 HG2 ARG A 48 34.653 4.335 -2.813 1.00 0.00 H new ATOM 0 HG3 ARG A 48 32.901 4.328 -2.773 1.00 0.00 H new ATOM 0 HD2 ARG A 48 33.344 3.378 -0.274 1.00 0.00 H new ATOM 0 HD3 ARG A 48 34.854 4.242 -0.483 1.00 0.00 H new ATOM 0 HE ARG A 48 32.575 5.878 -1.307 1.00 0.00 H new ATOM 0 HH11 ARG A 48 34.400 4.730 1.510 1.00 0.00 H new ATOM 0 HH12 ARG A 48 33.936 6.103 2.520 1.00 0.00 H new ATOM 0 HH21 ARG A 48 31.977 7.654 -0.002 1.00 0.00 H new ATOM 0 HH22 ARG A 48 32.560 7.763 1.662 1.00 0.00 H new ATOM 818 N TRP A 49 31.748 -0.081 -3.482 1.00 0.00 N ATOM 819 CA TRP A 49 31.032 -0.700 -4.584 1.00 0.00 C ATOM 820 C TRP A 49 29.892 -1.535 -3.997 1.00 0.00 C ATOM 821 O TRP A 49 29.377 -2.438 -4.654 1.00 0.00 O ATOM 822 CB TRP A 49 31.980 -1.518 -5.464 1.00 0.00 C ATOM 823 CG TRP A 49 32.166 -0.951 -6.873 1.00 0.00 C ATOM 824 CD1 TRP A 49 31.282 -0.938 -7.880 1.00 0.00 C ATOM 825 CD2 TRP A 49 33.350 -0.312 -7.393 1.00 0.00 C ATOM 826 NE1 TRP A 49 31.808 -0.339 -9.007 1.00 0.00 N ATOM 827 CE2 TRP A 49 33.106 0.053 -8.701 1.00 0.00 C ATOM 828 CE3 TRP A 49 34.588 -0.052 -6.779 1.00 0.00 C ATOM 829 CZ2 TRP A 49 34.051 0.700 -9.506 1.00 0.00 C ATOM 830 CZ3 TRP A 49 35.522 0.595 -7.596 1.00 0.00 C ATOM 831 CH2 TRP A 49 35.291 0.970 -8.915 1.00 0.00 C ATOM 0 H TRP A 49 32.284 -0.728 -2.904 1.00 0.00 H new ATOM 0 HA TRP A 49 30.606 0.058 -5.241 1.00 0.00 H new ATOM 0 HB2 TRP A 49 32.953 -1.577 -4.976 1.00 0.00 H new ATOM 0 HB3 TRP A 49 31.600 -2.537 -5.541 1.00 0.00 H new ATOM 0 HD1 TRP A 49 30.284 -1.345 -7.818 1.00 0.00 H new ATOM 0 HE1 TRP A 49 31.332 -0.208 -9.900 1.00 0.00 H new ATOM 0 HE3 TRP A 49 34.801 -0.330 -5.757 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 33.835 0.976 -10.528 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 36.490 0.819 -7.172 1.00 0.00 H new ATOM 0 HH2 TRP A 49 36.065 1.467 -9.481 1.00 0.00 H new ATOM 842 N HIS A 50 29.531 -1.203 -2.766 1.00 0.00 N ATOM 843 CA HIS A 50 28.462 -1.910 -2.083 1.00 0.00 C ATOM 844 C HIS A 50 27.527 -0.902 -1.411 1.00 0.00 C ATOM 845 O HIS A 50 26.983 -0.019 -2.071 1.00 0.00 O ATOM 846 CB HIS A 50 29.030 -2.938 -1.102 1.00 0.00 C ATOM 847 CG HIS A 50 28.019 -3.950 -0.619 1.00 0.00 C ATOM 848 ND1 HIS A 50 27.575 -4.000 0.691 1.00 0.00 N ATOM 849 CD2 HIS A 50 27.370 -4.949 -1.283 1.00 0.00 C ATOM 850 CE1 HIS A 50 26.700 -4.988 0.799 1.00 0.00 C ATOM 851 NE2 HIS A 50 26.574 -5.575 -0.426 1.00 0.00 N ATOM 0 H HIS A 50 29.960 -0.453 -2.224 1.00 0.00 H new ATOM 0 HA HIS A 50 27.873 -2.473 -2.807 1.00 0.00 H new ATOM 0 HB2 HIS A 50 29.856 -3.465 -1.581 1.00 0.00 H new ATOM 0 HB3 HIS A 50 29.444 -2.413 -0.241 1.00 0.00 H new ATOM 0 HD2 HIS A 50 27.485 -5.190 -2.330 1.00 0.00 H new ATOM 0 HE1 HIS A 50 26.178 -5.278 1.699 1.00 0.00 H new ATOM 0 HE2 HIS A 50 25.968 -6.365 -0.647 1.00 0.00 H new ATOM 859 N ASN A 51 27.370 -1.069 -0.106 1.00 0.00 N ATOM 860 CA ASN A 51 26.511 -0.185 0.663 1.00 0.00 C ATOM 861 C ASN A 51 26.575 1.224 0.071 1.00 0.00 C ATOM 862 O ASN A 51 25.587 1.722 -0.465 1.00 0.00 O ATOM 863 CB ASN A 51 26.966 -0.106 2.122 1.00 0.00 C ATOM 864 CG ASN A 51 27.782 -1.341 2.509 1.00 0.00 C ATOM 865 OD1 ASN A 51 28.933 -1.456 1.852 1.00 0.00 O flip ATOM 866 ND2 ASN A 51 27.394 -2.136 3.349 1.00 0.00 N flip ATOM 0 H ASN A 51 27.823 -1.803 0.438 1.00 0.00 H new ATOM 0 HA ASN A 51 25.497 -0.582 0.623 1.00 0.00 H new ATOM 0 HB2 ASN A 51 27.565 0.792 2.272 1.00 0.00 H new ATOM 0 HB3 ASN A 51 26.097 -0.021 2.774 1.00 0.00 H new ATOM 0 HD21 ASN A 51 26.499 -1.988 3.816 1.00 0.00 H new ATOM 0 HD22 ASN A 51 27.964 -2.948 3.584 1.00 0.00 H new ATOM 873 N HIS A 52 27.749 1.827 0.188 1.00 0.00 N ATOM 874 CA HIS A 52 27.956 3.169 -0.329 1.00 0.00 C ATOM 875 C HIS A 52 27.196 3.334 -1.647 1.00 0.00 C ATOM 876 O HIS A 52 26.437 4.287 -1.815 1.00 0.00 O ATOM 877 CB HIS A 52 29.449 3.476 -0.463 1.00 0.00 C ATOM 878 CG HIS A 52 29.757 4.637 -1.377 1.00 0.00 C ATOM 879 ND1 HIS A 52 29.891 5.937 -0.920 1.00 0.00 N ATOM 880 CD2 HIS A 52 29.958 4.681 -2.726 1.00 0.00 C ATOM 881 CE1 HIS A 52 30.159 6.719 -1.955 1.00 0.00 C ATOM 882 NE2 HIS A 52 30.199 5.939 -3.073 1.00 0.00 N ATOM 0 H HIS A 52 28.567 1.411 0.633 1.00 0.00 H new ATOM 0 HA HIS A 52 27.556 3.899 0.375 1.00 0.00 H new ATOM 0 HB2 HIS A 52 29.856 3.687 0.526 1.00 0.00 H new ATOM 0 HB3 HIS A 52 29.960 2.588 -0.835 1.00 0.00 H new ATOM 0 HD2 HIS A 52 29.926 3.836 -3.397 1.00 0.00 H new ATOM 0 HE1 HIS A 52 30.318 7.787 -1.920 1.00 0.00 H new ATOM 0 HE2 HIS A 52 30.384 6.269 -4.020 1.00 0.00 H new ATOM 890 N LEU A 53 27.427 2.391 -2.548 1.00 0.00 N ATOM 891 CA LEU A 53 26.774 2.419 -3.845 1.00 0.00 C ATOM 892 C LEU A 53 25.388 1.781 -3.728 1.00 0.00 C ATOM 893 O LEU A 53 25.201 0.622 -4.093 1.00 0.00 O ATOM 894 CB LEU A 53 27.662 1.768 -4.907 1.00 0.00 C ATOM 895 CG LEU A 53 26.955 1.305 -6.182 1.00 0.00 C ATOM 896 CD1 LEU A 53 27.643 1.870 -7.426 1.00 0.00 C ATOM 897 CD2 LEU A 53 26.849 -0.220 -6.228 1.00 0.00 C ATOM 0 H LEU A 53 28.058 1.602 -2.405 1.00 0.00 H new ATOM 0 HA LEU A 53 26.626 3.448 -4.174 1.00 0.00 H new ATOM 0 HB2 LEU A 53 28.441 2.478 -5.185 1.00 0.00 H new ATOM 0 HB3 LEU A 53 28.159 0.908 -4.459 1.00 0.00 H new ATOM 0 HG LEU A 53 25.938 1.697 -6.170 1.00 0.00 H new ATOM 0 HD11 LEU A 53 27.121 1.526 -8.319 1.00 0.00 H new ATOM 0 HD12 LEU A 53 27.622 2.959 -7.391 1.00 0.00 H new ATOM 0 HD13 LEU A 53 28.678 1.528 -7.456 1.00 0.00 H new ATOM 0 HD21 LEU A 53 26.342 -0.522 -7.145 1.00 0.00 H new ATOM 0 HD22 LEU A 53 27.848 -0.655 -6.205 1.00 0.00 H new ATOM 0 HD23 LEU A 53 26.281 -0.571 -5.367 1.00 0.00 H new ATOM 909 N ASN A 54 24.451 2.567 -3.217 1.00 0.00 N ATOM 910 CA ASN A 54 23.088 2.094 -3.047 1.00 0.00 C ATOM 911 C ASN A 54 22.114 3.198 -3.462 1.00 0.00 C ATOM 912 O ASN A 54 21.807 4.089 -2.672 1.00 0.00 O ATOM 913 CB ASN A 54 22.806 1.739 -1.586 1.00 0.00 C ATOM 914 CG ASN A 54 21.391 1.181 -1.420 1.00 0.00 C ATOM 915 OD1 ASN A 54 21.165 -0.017 -1.417 1.00 0.00 O ATOM 916 ND2 ASN A 54 20.454 2.115 -1.283 1.00 0.00 N ATOM 0 H ASN A 54 24.609 3.528 -2.915 1.00 0.00 H new ATOM 0 HA ASN A 54 22.960 1.205 -3.665 1.00 0.00 H new ATOM 0 HB2 ASN A 54 23.533 1.005 -1.240 1.00 0.00 H new ATOM 0 HB3 ASN A 54 22.927 2.625 -0.963 1.00 0.00 H new ATOM 0 HD21 ASN A 54 19.477 1.844 -1.166 1.00 0.00 H new ATOM 0 HD22 ASN A 54 20.712 3.102 -1.294 1.00 0.00 H new ATOM 923 N PRO A 55 21.643 3.101 -4.734 1.00 0.00 N ATOM 924 CA PRO A 55 20.710 4.081 -5.264 1.00 0.00 C ATOM 925 C PRO A 55 19.307 3.868 -4.691 1.00 0.00 C ATOM 926 O PRO A 55 18.418 4.693 -4.895 1.00 0.00 O ATOM 927 CB PRO A 55 20.769 3.906 -6.772 1.00 0.00 C ATOM 928 CG PRO A 55 21.375 2.532 -7.009 1.00 0.00 C ATOM 929 CD PRO A 55 21.985 2.060 -5.699 1.00 0.00 C ATOM 0 HA PRO A 55 20.969 5.102 -4.985 1.00 0.00 H new ATOM 0 HB2 PRO A 55 19.774 3.975 -7.212 1.00 0.00 H new ATOM 0 HB3 PRO A 55 21.376 4.685 -7.232 1.00 0.00 H new ATOM 0 HG2 PRO A 55 20.612 1.832 -7.349 1.00 0.00 H new ATOM 0 HG3 PRO A 55 22.135 2.579 -7.789 1.00 0.00 H new ATOM 0 HD2 PRO A 55 21.580 1.094 -5.399 1.00 0.00 H new ATOM 0 HD3 PRO A 55 23.065 1.940 -5.786 1.00 0.00 H new ATOM 937 N GLU A 56 19.153 2.757 -3.986 1.00 0.00 N ATOM 938 CA GLU A 56 17.874 2.424 -3.383 1.00 0.00 C ATOM 939 C GLU A 56 16.779 2.382 -4.451 1.00 0.00 C ATOM 940 O GLU A 56 16.937 2.949 -5.531 1.00 0.00 O ATOM 941 CB GLU A 56 17.518 3.414 -2.272 1.00 0.00 C ATOM 942 CG GLU A 56 16.017 3.390 -1.976 1.00 0.00 C ATOM 943 CD GLU A 56 15.658 4.393 -0.878 1.00 0.00 C ATOM 944 OE1 GLU A 56 16.593 4.803 -0.156 1.00 0.00 O ATOM 945 OE2 GLU A 56 14.458 4.728 -0.785 1.00 0.00 O ATOM 0 H GLU A 56 19.893 2.076 -3.819 1.00 0.00 H new ATOM 0 HA GLU A 56 17.953 1.435 -2.932 1.00 0.00 H new ATOM 0 HB2 GLU A 56 18.075 3.167 -1.368 1.00 0.00 H new ATOM 0 HB3 GLU A 56 17.818 4.420 -2.566 1.00 0.00 H new ATOM 0 HG2 GLU A 56 15.460 3.624 -2.883 1.00 0.00 H new ATOM 0 HG3 GLU A 56 15.719 2.387 -1.669 1.00 0.00 H new ATOM 952 N VAL A 57 15.692 1.704 -4.111 1.00 0.00 N ATOM 953 CA VAL A 57 14.571 1.580 -5.027 1.00 0.00 C ATOM 954 C VAL A 57 13.752 2.872 -5.002 1.00 0.00 C ATOM 955 O VAL A 57 13.815 3.670 -5.935 1.00 0.00 O ATOM 956 CB VAL A 57 13.744 0.341 -4.678 1.00 0.00 C ATOM 957 CG1 VAL A 57 12.897 -0.107 -5.871 1.00 0.00 C ATOM 958 CG2 VAL A 57 14.642 -0.796 -4.185 1.00 0.00 C ATOM 0 H VAL A 57 15.564 1.235 -3.214 1.00 0.00 H new ATOM 0 HA VAL A 57 14.926 1.440 -6.048 1.00 0.00 H new ATOM 0 HB VAL A 57 13.066 0.608 -3.868 1.00 0.00 H new ATOM 0 HG11 VAL A 57 12.319 -0.989 -5.596 1.00 0.00 H new ATOM 0 HG12 VAL A 57 12.218 0.696 -6.158 1.00 0.00 H new ATOM 0 HG13 VAL A 57 13.549 -0.348 -6.710 1.00 0.00 H new ATOM 0 HG21 VAL A 57 14.030 -1.665 -3.944 1.00 0.00 H new ATOM 0 HG22 VAL A 57 15.356 -1.061 -4.965 1.00 0.00 H new ATOM 0 HG23 VAL A 57 15.181 -0.474 -3.294 1.00 0.00 H new ATOM 968 N LYS A 58 13.001 3.038 -3.922 1.00 0.00 N ATOM 969 CA LYS A 58 12.170 4.219 -3.762 1.00 0.00 C ATOM 970 C LYS A 58 10.836 3.999 -4.478 1.00 0.00 C ATOM 971 O LYS A 58 10.491 2.870 -4.822 1.00 0.00 O ATOM 972 CB LYS A 58 12.920 5.468 -4.229 1.00 0.00 C ATOM 973 CG LYS A 58 12.526 6.688 -3.393 1.00 0.00 C ATOM 974 CD LYS A 58 12.241 7.896 -4.287 1.00 0.00 C ATOM 975 CE LYS A 58 11.200 8.817 -3.648 1.00 0.00 C ATOM 976 NZ LYS A 58 11.025 10.043 -4.459 1.00 0.00 N ATOM 0 H LYS A 58 12.951 2.374 -3.150 1.00 0.00 H new ATOM 0 HA LYS A 58 11.943 4.386 -2.709 1.00 0.00 H new ATOM 0 HB2 LYS A 58 13.994 5.302 -4.152 1.00 0.00 H new ATOM 0 HB3 LYS A 58 12.701 5.657 -5.280 1.00 0.00 H new ATOM 0 HG2 LYS A 58 11.643 6.455 -2.797 1.00 0.00 H new ATOM 0 HG3 LYS A 58 13.327 6.929 -2.695 1.00 0.00 H new ATOM 0 HD2 LYS A 58 13.164 8.450 -4.461 1.00 0.00 H new ATOM 0 HD3 LYS A 58 11.884 7.557 -5.260 1.00 0.00 H new ATOM 0 HE2 LYS A 58 10.248 8.293 -3.560 1.00 0.00 H new ATOM 0 HE3 LYS A 58 11.512 9.083 -2.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 10.061 10.411 -4.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 11.714 10.761 -4.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 11.176 9.819 -5.463 1.00 0.00 H new ATOM 990 N LYS A 59 10.123 5.097 -4.682 1.00 0.00 N ATOM 991 CA LYS A 59 8.834 5.039 -5.351 1.00 0.00 C ATOM 992 C LYS A 59 9.035 4.578 -6.796 1.00 0.00 C ATOM 993 O LYS A 59 8.284 3.741 -7.294 1.00 0.00 O ATOM 994 CB LYS A 59 8.106 6.379 -5.229 1.00 0.00 C ATOM 995 CG LYS A 59 8.938 7.512 -5.832 1.00 0.00 C ATOM 996 CD LYS A 59 8.462 7.849 -7.246 1.00 0.00 C ATOM 997 CE LYS A 59 8.801 9.296 -7.609 1.00 0.00 C ATOM 998 NZ LYS A 59 7.619 10.167 -7.424 1.00 0.00 N ATOM 0 H LYS A 59 10.413 6.032 -4.396 1.00 0.00 H new ATOM 0 HA LYS A 59 8.187 4.306 -4.869 1.00 0.00 H new ATOM 0 HB2 LYS A 59 7.143 6.321 -5.736 1.00 0.00 H new ATOM 0 HB3 LYS A 59 7.902 6.592 -4.180 1.00 0.00 H new ATOM 0 HG2 LYS A 59 8.866 8.397 -5.200 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.989 7.223 -5.857 1.00 0.00 H new ATOM 0 HD2 LYS A 59 8.929 7.172 -7.962 1.00 0.00 H new ATOM 0 HD3 LYS A 59 7.385 7.695 -7.317 1.00 0.00 H new ATOM 0 HE2 LYS A 59 9.622 9.651 -6.986 1.00 0.00 H new ATOM 0 HE3 LYS A 59 9.140 9.348 -8.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.866 11.146 -7.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.846 9.837 -8.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 7.313 10.131 -6.431 1.00 0.00 H new ATOM 1012 N SER A 60 10.052 5.144 -7.428 1.00 0.00 N ATOM 1013 CA SER A 60 10.361 4.801 -8.806 1.00 0.00 C ATOM 1014 C SER A 60 11.224 3.539 -8.851 1.00 0.00 C ATOM 1015 O SER A 60 11.107 2.672 -7.986 1.00 0.00 O ATOM 1016 CB SER A 60 11.073 5.956 -9.514 1.00 0.00 C ATOM 1017 OG SER A 60 12.441 6.057 -9.128 1.00 0.00 O ATOM 0 H SER A 60 10.673 5.838 -7.012 1.00 0.00 H new ATOM 0 HA SER A 60 9.424 4.611 -9.329 1.00 0.00 H new ATOM 0 HB2 SER A 60 11.010 5.814 -10.593 1.00 0.00 H new ATOM 0 HB3 SER A 60 10.562 6.891 -9.286 1.00 0.00 H new ATOM 0 HG SER A 60 12.861 6.805 -9.603 1.00 0.00 H new ATOM 1023 N SER A 61 12.071 3.475 -9.868 1.00 0.00 N ATOM 1024 CA SER A 61 12.953 2.332 -10.036 1.00 0.00 C ATOM 1025 C SER A 61 12.158 1.032 -9.894 1.00 0.00 C ATOM 1026 O SER A 61 10.995 0.966 -10.286 1.00 0.00 O ATOM 1027 CB SER A 61 14.099 2.367 -9.024 1.00 0.00 C ATOM 1028 OG SER A 61 14.578 3.692 -8.805 1.00 0.00 O ATOM 0 H SER A 61 12.165 4.196 -10.584 1.00 0.00 H new ATOM 0 HA SER A 61 13.386 2.378 -11.035 1.00 0.00 H new ATOM 0 HB2 SER A 61 13.761 1.943 -8.079 1.00 0.00 H new ATOM 0 HB3 SER A 61 14.917 1.740 -9.380 1.00 0.00 H new ATOM 0 HG SER A 61 14.431 3.942 -7.869 1.00 0.00 H new ATOM 1034 N TRP A 62 12.819 0.031 -9.331 1.00 0.00 N ATOM 1035 CA TRP A 62 12.190 -1.263 -9.132 1.00 0.00 C ATOM 1036 C TRP A 62 10.997 -1.069 -8.193 1.00 0.00 C ATOM 1037 O TRP A 62 10.794 0.021 -7.659 1.00 0.00 O ATOM 1038 CB TRP A 62 13.198 -2.289 -8.612 1.00 0.00 C ATOM 1039 CG TRP A 62 14.489 -2.363 -9.431 1.00 0.00 C ATOM 1040 CD1 TRP A 62 15.633 -1.696 -9.228 1.00 0.00 C ATOM 1041 CD2 TRP A 62 14.722 -3.180 -10.598 1.00 0.00 C ATOM 1042 NE1 TRP A 62 16.583 -2.022 -10.175 1.00 0.00 N ATOM 1043 CE2 TRP A 62 16.011 -2.953 -11.034 1.00 0.00 C ATOM 1044 CE3 TRP A 62 13.871 -4.080 -11.262 1.00 0.00 C ATOM 1045 CZ2 TRP A 62 16.565 -3.589 -12.152 1.00 0.00 C ATOM 1046 CZ3 TRP A 62 14.439 -4.708 -12.377 1.00 0.00 C ATOM 1047 CH2 TRP A 62 15.736 -4.490 -12.830 1.00 0.00 C ATOM 0 H TRP A 62 13.784 0.090 -9.006 1.00 0.00 H new ATOM 0 HA TRP A 62 11.828 -1.665 -10.078 1.00 0.00 H new ATOM 0 HB2 TRP A 62 13.448 -2.046 -7.579 1.00 0.00 H new ATOM 0 HB3 TRP A 62 12.728 -3.273 -8.603 1.00 0.00 H new ATOM 0 HD1 TRP A 62 15.792 -0.992 -8.425 1.00 0.00 H new ATOM 0 HE1 TRP A 62 17.530 -1.648 -10.234 1.00 0.00 H new ATOM 0 HE3 TRP A 62 12.859 -4.272 -10.938 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 17.577 -3.395 -12.474 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 13.827 -5.411 -12.924 1.00 0.00 H new ATOM 0 HH2 TRP A 62 16.102 -5.014 -13.701 1.00 0.00 H new ATOM 1058 N THR A 63 10.240 -2.142 -8.020 1.00 0.00 N ATOM 1059 CA THR A 63 9.073 -2.104 -7.155 1.00 0.00 C ATOM 1060 C THR A 63 9.099 -3.276 -6.172 1.00 0.00 C ATOM 1061 O THR A 63 10.144 -3.887 -5.956 1.00 0.00 O ATOM 1062 CB THR A 63 7.827 -2.082 -8.043 1.00 0.00 C ATOM 1063 OG1 THR A 63 7.992 -3.208 -8.901 1.00 0.00 O ATOM 1064 CG2 THR A 63 7.808 -0.886 -8.997 1.00 0.00 C ATOM 0 H THR A 63 10.412 -3.044 -8.464 1.00 0.00 H new ATOM 0 HA THR A 63 9.066 -1.205 -6.539 1.00 0.00 H new ATOM 0 HB THR A 63 6.936 -2.060 -7.416 1.00 0.00 H new ATOM 0 HG1 THR A 63 7.328 -3.892 -8.674 1.00 0.00 H new ATOM 0 HG21 THR A 63 6.903 -0.919 -9.604 1.00 0.00 H new ATOM 0 HG22 THR A 63 7.825 0.039 -8.421 1.00 0.00 H new ATOM 0 HG23 THR A 63 8.682 -0.925 -9.647 1.00 0.00 H new ATOM 1072 N GLU A 64 7.935 -3.555 -5.603 1.00 0.00 N ATOM 1073 CA GLU A 64 7.811 -4.643 -4.648 1.00 0.00 C ATOM 1074 C GLU A 64 7.828 -5.990 -5.373 1.00 0.00 C ATOM 1075 O GLU A 64 8.845 -6.683 -5.379 1.00 0.00 O ATOM 1076 CB GLU A 64 6.544 -4.490 -3.805 1.00 0.00 C ATOM 1077 CG GLU A 64 6.793 -3.581 -2.600 1.00 0.00 C ATOM 1078 CD GLU A 64 7.092 -4.404 -1.345 1.00 0.00 C ATOM 1079 OE1 GLU A 64 6.111 -4.864 -0.721 1.00 0.00 O ATOM 1080 OE2 GLU A 64 8.294 -4.553 -1.037 1.00 0.00 O ATOM 0 H GLU A 64 7.070 -3.046 -5.785 1.00 0.00 H new ATOM 0 HA GLU A 64 8.665 -4.606 -3.971 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.743 -4.076 -4.418 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.210 -5.470 -3.463 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.629 -2.914 -2.810 1.00 0.00 H new ATOM 0 HG3 GLU A 64 5.919 -2.952 -2.427 1.00 0.00 H new ATOM 1087 N GLU A 65 6.691 -6.321 -5.967 1.00 0.00 N ATOM 1088 CA GLU A 65 6.563 -7.573 -6.694 1.00 0.00 C ATOM 1089 C GLU A 65 7.799 -7.810 -7.564 1.00 0.00 C ATOM 1090 O GLU A 65 8.300 -8.931 -7.643 1.00 0.00 O ATOM 1091 CB GLU A 65 5.287 -7.589 -7.537 1.00 0.00 C ATOM 1092 CG GLU A 65 4.043 -7.471 -6.654 1.00 0.00 C ATOM 1093 CD GLU A 65 2.898 -8.324 -7.203 1.00 0.00 C ATOM 1094 OE1 GLU A 65 2.495 -8.059 -8.356 1.00 0.00 O ATOM 1095 OE2 GLU A 65 2.451 -9.222 -6.457 1.00 0.00 O ATOM 0 H GLU A 65 5.850 -5.744 -5.960 1.00 0.00 H new ATOM 0 HA GLU A 65 6.491 -8.385 -5.971 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.309 -6.766 -8.252 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.241 -8.512 -8.115 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.282 -7.787 -5.639 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.730 -6.428 -6.598 1.00 0.00 H new ATOM 1102 N GLU A 66 8.254 -6.738 -8.195 1.00 0.00 N ATOM 1103 CA GLU A 66 9.421 -6.816 -9.056 1.00 0.00 C ATOM 1104 C GLU A 66 10.644 -7.266 -8.254 1.00 0.00 C ATOM 1105 O GLU A 66 11.469 -8.032 -8.750 1.00 0.00 O ATOM 1106 CB GLU A 66 9.682 -5.477 -9.748 1.00 0.00 C ATOM 1107 CG GLU A 66 8.688 -5.245 -10.887 1.00 0.00 C ATOM 1108 CD GLU A 66 9.339 -4.471 -12.035 1.00 0.00 C ATOM 1109 OE1 GLU A 66 10.127 -3.552 -11.724 1.00 0.00 O ATOM 1110 OE2 GLU A 66 9.034 -4.816 -13.197 1.00 0.00 O ATOM 0 H GLU A 66 7.835 -5.810 -8.127 1.00 0.00 H new ATOM 0 HA GLU A 66 9.227 -7.557 -9.832 1.00 0.00 H new ATOM 0 HB2 GLU A 66 9.604 -4.667 -9.022 1.00 0.00 H new ATOM 0 HB3 GLU A 66 10.699 -5.458 -10.139 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.319 -6.203 -11.253 1.00 0.00 H new ATOM 0 HG3 GLU A 66 7.825 -4.693 -10.515 1.00 0.00 H new ATOM 1117 N ASP A 67 10.721 -6.772 -7.027 1.00 0.00 N ATOM 1118 CA ASP A 67 11.829 -7.114 -6.151 1.00 0.00 C ATOM 1119 C ASP A 67 11.871 -8.631 -5.957 1.00 0.00 C ATOM 1120 O ASP A 67 12.911 -9.257 -6.154 1.00 0.00 O ATOM 1121 CB ASP A 67 11.664 -6.466 -4.775 1.00 0.00 C ATOM 1122 CG ASP A 67 12.973 -6.114 -4.065 1.00 0.00 C ATOM 1123 OD1 ASP A 67 13.550 -7.037 -3.450 1.00 0.00 O ATOM 1124 OD2 ASP A 67 13.366 -4.931 -4.152 1.00 0.00 O ATOM 0 H ASP A 67 10.034 -6.138 -6.619 1.00 0.00 H new ATOM 0 HA ASP A 67 12.748 -6.751 -6.612 1.00 0.00 H new ATOM 0 HB2 ASP A 67 11.073 -5.557 -4.887 1.00 0.00 H new ATOM 0 HB3 ASP A 67 11.093 -7.141 -4.138 1.00 0.00 H new ATOM 1129 N ARG A 68 10.727 -9.178 -5.573 1.00 0.00 N ATOM 1130 CA ARG A 68 10.619 -10.610 -5.350 1.00 0.00 C ATOM 1131 C ARG A 68 10.863 -11.370 -6.655 1.00 0.00 C ATOM 1132 O ARG A 68 11.777 -12.188 -6.740 1.00 0.00 O ATOM 1133 CB ARG A 68 9.240 -10.980 -4.802 1.00 0.00 C ATOM 1134 CG ARG A 68 9.155 -10.704 -3.299 1.00 0.00 C ATOM 1135 CD ARG A 68 8.571 -11.906 -2.554 1.00 0.00 C ATOM 1136 NE ARG A 68 9.563 -13.004 -2.508 1.00 0.00 N ATOM 1137 CZ ARG A 68 9.344 -14.190 -1.925 1.00 0.00 C ATOM 1138 NH1 ARG A 68 8.167 -14.439 -1.334 1.00 0.00 N ATOM 1139 NH2 ARG A 68 10.302 -15.127 -1.932 1.00 0.00 N ATOM 0 H ARG A 68 9.866 -8.655 -5.411 1.00 0.00 H new ATOM 0 HA ARG A 68 11.375 -10.889 -4.616 1.00 0.00 H new ATOM 0 HB2 ARG A 68 8.472 -10.409 -5.324 1.00 0.00 H new ATOM 0 HB3 ARG A 68 9.039 -12.034 -4.994 1.00 0.00 H new ATOM 0 HG2 ARG A 68 10.148 -10.478 -2.910 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.535 -9.825 -3.121 1.00 0.00 H new ATOM 0 HD2 ARG A 68 8.291 -11.616 -1.542 1.00 0.00 H new ATOM 0 HD3 ARG A 68 7.663 -12.246 -3.051 1.00 0.00 H new ATOM 0 HE ARG A 68 10.470 -12.848 -2.948 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.438 -13.725 -1.328 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.000 -15.342 -0.890 1.00 0.00 H new ATOM 0 HH21 ARG A 68 11.198 -14.937 -2.381 1.00 0.00 H new ATOM 0 HH22 ARG A 68 10.135 -16.030 -1.488 1.00 0.00 H new ATOM 1153 N ILE A 69 10.028 -11.072 -7.641 1.00 0.00 N ATOM 1154 CA ILE A 69 10.141 -11.717 -8.938 1.00 0.00 C ATOM 1155 C ILE A 69 11.619 -11.940 -9.264 1.00 0.00 C ATOM 1156 O ILE A 69 12.030 -13.060 -9.563 1.00 0.00 O ATOM 1157 CB ILE A 69 9.390 -10.915 -10.002 1.00 0.00 C ATOM 1158 CG1 ILE A 69 7.887 -10.900 -9.719 1.00 0.00 C ATOM 1159 CG2 ILE A 69 9.704 -11.439 -11.405 1.00 0.00 C ATOM 1160 CD1 ILE A 69 7.193 -9.783 -10.499 1.00 0.00 C ATOM 0 H ILE A 69 9.271 -10.393 -7.567 1.00 0.00 H new ATOM 0 HA ILE A 69 9.667 -12.698 -8.919 1.00 0.00 H new ATOM 0 HB ILE A 69 9.735 -9.882 -9.958 1.00 0.00 H new ATOM 0 HG12 ILE A 69 7.453 -11.862 -9.991 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.716 -10.763 -8.651 1.00 0.00 H new ATOM 0 HG21 ILE A 69 9.158 -10.852 -12.143 1.00 0.00 H new ATOM 0 HG22 ILE A 69 10.774 -11.354 -11.594 1.00 0.00 H new ATOM 0 HG23 ILE A 69 9.404 -12.484 -11.479 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.125 -9.795 -10.279 1.00 0.00 H new ATOM 0 HD12 ILE A 69 7.613 -8.820 -10.207 1.00 0.00 H new ATOM 0 HD13 ILE A 69 7.345 -9.936 -11.567 1.00 0.00 H new ATOM 1172 N ILE A 70 12.377 -10.856 -9.197 1.00 0.00 N ATOM 1173 CA ILE A 70 13.801 -10.919 -9.482 1.00 0.00 C ATOM 1174 C ILE A 70 14.439 -12.017 -8.629 1.00 0.00 C ATOM 1175 O ILE A 70 14.879 -13.039 -9.154 1.00 0.00 O ATOM 1176 CB ILE A 70 14.446 -9.544 -9.297 1.00 0.00 C ATOM 1177 CG1 ILE A 70 13.685 -8.472 -10.080 1.00 0.00 C ATOM 1178 CG2 ILE A 70 15.930 -9.580 -9.667 1.00 0.00 C ATOM 1179 CD1 ILE A 70 14.485 -8.016 -11.302 1.00 0.00 C ATOM 0 H ILE A 70 12.032 -9.928 -8.949 1.00 0.00 H new ATOM 0 HA ILE A 70 13.969 -11.187 -10.525 1.00 0.00 H new ATOM 0 HB ILE A 70 14.384 -9.277 -8.242 1.00 0.00 H new ATOM 0 HG12 ILE A 70 12.720 -8.865 -10.399 1.00 0.00 H new ATOM 0 HG13 ILE A 70 13.483 -7.618 -9.433 1.00 0.00 H new ATOM 0 HG21 ILE A 70 16.364 -8.590 -9.526 1.00 0.00 H new ATOM 0 HG22 ILE A 70 16.447 -10.297 -9.029 1.00 0.00 H new ATOM 0 HG23 ILE A 70 16.038 -9.879 -10.710 1.00 0.00 H new ATOM 0 HD11 ILE A 70 13.922 -7.254 -11.842 1.00 0.00 H new ATOM 0 HD12 ILE A 70 15.439 -7.601 -10.978 1.00 0.00 H new ATOM 0 HD13 ILE A 70 14.664 -8.868 -11.958 1.00 0.00 H new ATOM 1191 N PHE A 71 14.469 -11.769 -7.328 1.00 0.00 N ATOM 1192 CA PHE A 71 15.047 -12.724 -6.397 1.00 0.00 C ATOM 1193 C PHE A 71 14.509 -14.134 -6.654 1.00 0.00 C ATOM 1194 O PHE A 71 15.157 -15.121 -6.310 1.00 0.00 O ATOM 1195 CB PHE A 71 14.636 -12.283 -4.991 1.00 0.00 C ATOM 1196 CG PHE A 71 14.576 -13.424 -3.973 1.00 0.00 C ATOM 1197 CD1 PHE A 71 13.594 -14.361 -4.060 1.00 0.00 C ATOM 1198 CD2 PHE A 71 15.504 -13.501 -2.982 1.00 0.00 C ATOM 1199 CE1 PHE A 71 13.538 -15.420 -3.115 1.00 0.00 C ATOM 1200 CE2 PHE A 71 15.448 -14.560 -2.038 1.00 0.00 C ATOM 1201 CZ PHE A 71 14.466 -15.497 -2.124 1.00 0.00 C ATOM 0 H PHE A 71 14.103 -10.921 -6.896 1.00 0.00 H new ATOM 0 HA PHE A 71 16.130 -12.750 -6.515 1.00 0.00 H new ATOM 0 HB2 PHE A 71 15.341 -11.531 -4.637 1.00 0.00 H new ATOM 0 HB3 PHE A 71 13.658 -11.804 -5.043 1.00 0.00 H new ATOM 0 HD1 PHE A 71 12.857 -14.300 -4.847 1.00 0.00 H new ATOM 0 HD2 PHE A 71 16.284 -12.757 -2.913 1.00 0.00 H new ATOM 0 HE1 PHE A 71 12.758 -16.164 -3.184 1.00 0.00 H new ATOM 0 HE2 PHE A 71 16.185 -14.622 -1.251 1.00 0.00 H new ATOM 0 HZ PHE A 71 14.423 -16.302 -1.405 1.00 0.00 H new ATOM 1211 N GLU A 72 13.330 -14.182 -7.256 1.00 0.00 N ATOM 1212 CA GLU A 72 12.698 -15.454 -7.562 1.00 0.00 C ATOM 1213 C GLU A 72 13.336 -16.077 -8.805 1.00 0.00 C ATOM 1214 O GLU A 72 14.061 -17.066 -8.705 1.00 0.00 O ATOM 1215 CB GLU A 72 11.188 -15.286 -7.747 1.00 0.00 C ATOM 1216 CG GLU A 72 10.417 -16.000 -6.635 1.00 0.00 C ATOM 1217 CD GLU A 72 9.816 -17.313 -7.141 1.00 0.00 C ATOM 1218 OE1 GLU A 72 9.411 -17.333 -8.323 1.00 0.00 O ATOM 1219 OE2 GLU A 72 9.775 -18.266 -6.334 1.00 0.00 O ATOM 0 H GLU A 72 12.796 -13.361 -7.540 1.00 0.00 H new ATOM 0 HA GLU A 72 12.855 -16.128 -6.720 1.00 0.00 H new ATOM 0 HB2 GLU A 72 10.934 -14.226 -7.748 1.00 0.00 H new ATOM 0 HB3 GLU A 72 10.890 -15.686 -8.716 1.00 0.00 H new ATOM 0 HG2 GLU A 72 11.084 -16.200 -5.796 1.00 0.00 H new ATOM 0 HG3 GLU A 72 9.623 -15.352 -6.264 1.00 0.00 H new ATOM 1226 N ALA A 73 13.042 -15.474 -9.948 1.00 0.00 N ATOM 1227 CA ALA A 73 13.578 -15.958 -11.209 1.00 0.00 C ATOM 1228 C ALA A 73 15.064 -16.278 -11.037 1.00 0.00 C ATOM 1229 O ALA A 73 15.611 -17.111 -11.759 1.00 0.00 O ATOM 1230 CB ALA A 73 13.329 -14.918 -12.303 1.00 0.00 C ATOM 0 H ALA A 73 12.440 -14.655 -10.027 1.00 0.00 H new ATOM 0 HA ALA A 73 13.075 -16.877 -11.512 1.00 0.00 H new ATOM 0 HB1 ALA A 73 13.731 -15.281 -13.249 1.00 0.00 H new ATOM 0 HB2 ALA A 73 12.257 -14.748 -12.406 1.00 0.00 H new ATOM 0 HB3 ALA A 73 13.821 -13.983 -12.035 1.00 0.00 H new ATOM 1236 N HIS A 74 15.676 -15.601 -10.076 1.00 0.00 N ATOM 1237 CA HIS A 74 17.088 -15.803 -9.800 1.00 0.00 C ATOM 1238 C HIS A 74 17.315 -17.233 -9.306 1.00 0.00 C ATOM 1239 O HIS A 74 18.158 -17.952 -9.841 1.00 0.00 O ATOM 1240 CB HIS A 74 17.606 -14.748 -8.821 1.00 0.00 C ATOM 1241 CG HIS A 74 19.110 -14.615 -8.801 1.00 0.00 C ATOM 1242 ND1 HIS A 74 19.888 -15.056 -7.744 1.00 0.00 N ATOM 1243 CD2 HIS A 74 19.971 -14.087 -9.718 1.00 0.00 C ATOM 1244 CE1 HIS A 74 21.157 -14.800 -8.023 1.00 0.00 C ATOM 1245 NE2 HIS A 74 21.207 -14.199 -9.247 1.00 0.00 N ATOM 0 H HIS A 74 15.219 -14.912 -9.479 1.00 0.00 H new ATOM 0 HA HIS A 74 17.663 -15.677 -10.717 1.00 0.00 H new ATOM 0 HB2 HIS A 74 17.170 -13.783 -9.078 1.00 0.00 H new ATOM 0 HB3 HIS A 74 17.260 -14.997 -7.818 1.00 0.00 H new ATOM 0 HD2 HIS A 74 19.694 -13.652 -10.667 1.00 0.00 H new ATOM 0 HE1 HIS A 74 22.004 -15.027 -7.392 1.00 0.00 H new ATOM 0 HE2 HIS A 74 22.054 -13.887 -9.722 1.00 0.00 H new ATOM 1253 N LYS A 75 16.548 -17.603 -8.291 1.00 0.00 N ATOM 1254 CA LYS A 75 16.654 -18.934 -7.719 1.00 0.00 C ATOM 1255 C LYS A 75 15.932 -19.933 -8.625 1.00 0.00 C ATOM 1256 O LYS A 75 15.872 -21.123 -8.319 1.00 0.00 O ATOM 1257 CB LYS A 75 16.150 -18.938 -6.274 1.00 0.00 C ATOM 1258 CG LYS A 75 14.742 -18.347 -6.183 1.00 0.00 C ATOM 1259 CD LYS A 75 13.988 -18.911 -4.978 1.00 0.00 C ATOM 1260 CE LYS A 75 14.507 -18.305 -3.673 1.00 0.00 C ATOM 1261 NZ LYS A 75 15.419 -19.250 -2.990 1.00 0.00 N ATOM 0 H LYS A 75 15.850 -17.004 -7.850 1.00 0.00 H new ATOM 0 HA LYS A 75 17.697 -19.245 -7.669 1.00 0.00 H new ATOM 0 HB2 LYS A 75 16.146 -19.958 -5.889 1.00 0.00 H new ATOM 0 HB3 LYS A 75 16.831 -18.363 -5.646 1.00 0.00 H new ATOM 0 HG2 LYS A 75 14.804 -17.262 -6.102 1.00 0.00 H new ATOM 0 HG3 LYS A 75 14.191 -18.568 -7.097 1.00 0.00 H new ATOM 0 HD2 LYS A 75 12.923 -18.703 -5.081 1.00 0.00 H new ATOM 0 HD3 LYS A 75 14.100 -19.995 -4.949 1.00 0.00 H new ATOM 0 HE2 LYS A 75 15.030 -17.372 -3.881 1.00 0.00 H new ATOM 0 HE3 LYS A 75 13.669 -18.062 -3.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 15.762 -18.823 -2.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 14.909 -20.130 -2.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 16.227 -19.461 -3.609 1.00 0.00 H new ATOM 1275 N VAL A 76 15.402 -19.413 -9.722 1.00 0.00 N ATOM 1276 CA VAL A 76 14.687 -20.245 -10.675 1.00 0.00 C ATOM 1277 C VAL A 76 15.571 -20.485 -11.900 1.00 0.00 C ATOM 1278 O VAL A 76 15.308 -21.390 -12.691 1.00 0.00 O ATOM 1279 CB VAL A 76 13.343 -19.602 -11.024 1.00 0.00 C ATOM 1280 CG1 VAL A 76 12.421 -20.605 -11.722 1.00 0.00 C ATOM 1281 CG2 VAL A 76 12.674 -19.018 -9.778 1.00 0.00 C ATOM 0 H VAL A 76 15.453 -18.426 -9.972 1.00 0.00 H new ATOM 0 HA VAL A 76 14.464 -21.219 -10.240 1.00 0.00 H new ATOM 0 HB VAL A 76 13.533 -18.782 -11.717 1.00 0.00 H new ATOM 0 HG11 VAL A 76 11.473 -20.123 -11.959 1.00 0.00 H new ATOM 0 HG12 VAL A 76 12.892 -20.953 -12.642 1.00 0.00 H new ATOM 0 HG13 VAL A 76 12.242 -21.454 -11.063 1.00 0.00 H new ATOM 0 HG21 VAL A 76 11.721 -18.567 -10.054 1.00 0.00 H new ATOM 0 HG22 VAL A 76 12.503 -19.812 -9.051 1.00 0.00 H new ATOM 0 HG23 VAL A 76 13.321 -18.258 -9.340 1.00 0.00 H new ATOM 1291 N LEU A 77 16.600 -19.660 -12.019 1.00 0.00 N ATOM 1292 CA LEU A 77 17.524 -19.771 -13.134 1.00 0.00 C ATOM 1293 C LEU A 77 18.960 -19.712 -12.609 1.00 0.00 C ATOM 1294 O LEU A 77 19.667 -20.718 -12.608 1.00 0.00 O ATOM 1295 CB LEU A 77 17.213 -18.715 -14.196 1.00 0.00 C ATOM 1296 CG LEU A 77 15.732 -18.401 -14.416 1.00 0.00 C ATOM 1297 CD1 LEU A 77 15.482 -16.891 -14.395 1.00 0.00 C ATOM 1298 CD2 LEU A 77 15.219 -19.049 -15.703 1.00 0.00 C ATOM 0 H LEU A 77 16.814 -18.911 -11.361 1.00 0.00 H new ATOM 0 HA LEU A 77 17.406 -20.733 -13.632 1.00 0.00 H new ATOM 0 HB2 LEU A 77 17.723 -17.791 -13.922 1.00 0.00 H new ATOM 0 HB3 LEU A 77 17.639 -19.045 -15.144 1.00 0.00 H new ATOM 0 HG LEU A 77 15.166 -18.832 -13.591 1.00 0.00 H new ATOM 0 HD11 LEU A 77 14.421 -16.696 -14.554 1.00 0.00 H new ATOM 0 HD12 LEU A 77 15.785 -16.485 -13.430 1.00 0.00 H new ATOM 0 HD13 LEU A 77 16.061 -16.415 -15.187 1.00 0.00 H new ATOM 0 HD21 LEU A 77 14.164 -18.810 -15.835 1.00 0.00 H new ATOM 0 HD22 LEU A 77 15.786 -18.669 -16.553 1.00 0.00 H new ATOM 0 HD23 LEU A 77 15.341 -20.130 -15.640 1.00 0.00 H new ATOM 1310 N GLY A 78 19.349 -18.521 -12.176 1.00 0.00 N ATOM 1311 CA GLY A 78 20.688 -18.317 -11.650 1.00 0.00 C ATOM 1312 C GLY A 78 21.353 -17.103 -12.301 1.00 0.00 C ATOM 1313 O GLY A 78 21.847 -17.190 -13.424 1.00 0.00 O ATOM 0 H GLY A 78 18.760 -17.688 -12.179 1.00 0.00 H new ATOM 0 HA2 GLY A 78 20.641 -18.175 -10.570 1.00 0.00 H new ATOM 0 HA3 GLY A 78 21.292 -19.206 -11.828 1.00 0.00 H new ATOM 1317 N ASN A 79 21.345 -15.999 -11.568 1.00 0.00 N ATOM 1318 CA ASN A 79 21.942 -14.770 -12.060 1.00 0.00 C ATOM 1319 C ASN A 79 21.636 -14.621 -13.552 1.00 0.00 C ATOM 1320 O ASN A 79 22.403 -14.003 -14.288 1.00 0.00 O ATOM 1321 CB ASN A 79 23.463 -14.789 -11.890 1.00 0.00 C ATOM 1322 CG ASN A 79 23.955 -16.189 -11.518 1.00 0.00 C ATOM 1323 OD1 ASN A 79 23.970 -17.104 -12.324 1.00 0.00 O ATOM 1324 ND2 ASN A 79 24.356 -16.303 -10.255 1.00 0.00 N ATOM 0 H ASN A 79 20.934 -15.931 -10.637 1.00 0.00 H new ATOM 0 HA ASN A 79 21.525 -13.941 -11.488 1.00 0.00 H new ATOM 0 HB2 ASN A 79 23.940 -14.466 -12.815 1.00 0.00 H new ATOM 0 HB3 ASN A 79 23.755 -14.079 -11.116 1.00 0.00 H new ATOM 0 HD21 ASN A 79 24.703 -17.198 -9.909 1.00 0.00 H new ATOM 0 HD22 ASN A 79 24.317 -15.496 -9.633 1.00 0.00 H new ATOM 1331 N ARG A 80 20.512 -15.197 -13.953 1.00 0.00 N ATOM 1332 CA ARG A 80 20.095 -15.136 -15.343 1.00 0.00 C ATOM 1333 C ARG A 80 19.468 -13.774 -15.650 1.00 0.00 C ATOM 1334 O ARG A 80 18.353 -13.702 -16.165 1.00 0.00 O ATOM 1335 CB ARG A 80 19.084 -16.239 -15.664 1.00 0.00 C ATOM 1336 CG ARG A 80 19.732 -17.354 -16.486 1.00 0.00 C ATOM 1337 CD ARG A 80 20.207 -18.495 -15.584 1.00 0.00 C ATOM 1338 NE ARG A 80 20.221 -19.767 -16.341 1.00 0.00 N ATOM 1339 CZ ARG A 80 20.979 -20.824 -16.019 1.00 0.00 C ATOM 1340 NH1 ARG A 80 21.789 -20.769 -14.953 1.00 0.00 N ATOM 1341 NH2 ARG A 80 20.926 -21.937 -16.764 1.00 0.00 N ATOM 0 H ARG A 80 19.878 -15.708 -13.339 1.00 0.00 H new ATOM 0 HA ARG A 80 20.981 -15.280 -15.961 1.00 0.00 H new ATOM 0 HB2 ARG A 80 18.684 -16.651 -14.738 1.00 0.00 H new ATOM 0 HB3 ARG A 80 18.243 -15.818 -16.215 1.00 0.00 H new ATOM 0 HG2 ARG A 80 19.017 -17.736 -17.215 1.00 0.00 H new ATOM 0 HG3 ARG A 80 20.576 -16.953 -17.047 1.00 0.00 H new ATOM 0 HD2 ARG A 80 21.205 -18.278 -15.204 1.00 0.00 H new ATOM 0 HD3 ARG A 80 19.549 -18.584 -14.719 1.00 0.00 H new ATOM 0 HE ARG A 80 19.616 -19.844 -17.159 1.00 0.00 H new ATOM 0 HH11 ARG A 80 21.829 -19.922 -14.386 1.00 0.00 H new ATOM 0 HH12 ARG A 80 22.366 -21.574 -14.709 1.00 0.00 H new ATOM 0 HH21 ARG A 80 20.309 -21.979 -17.575 1.00 0.00 H new ATOM 0 HH22 ARG A 80 21.503 -22.742 -16.520 1.00 0.00 H new ATOM 1355 N TRP A 81 20.211 -12.728 -15.320 1.00 0.00 N ATOM 1356 CA TRP A 81 19.742 -11.373 -15.554 1.00 0.00 C ATOM 1357 C TRP A 81 19.304 -11.270 -17.016 1.00 0.00 C ATOM 1358 O TRP A 81 18.315 -10.608 -17.326 1.00 0.00 O ATOM 1359 CB TRP A 81 20.815 -10.349 -15.177 1.00 0.00 C ATOM 1360 CG TRP A 81 21.705 -10.781 -14.010 1.00 0.00 C ATOM 1361 CD1 TRP A 81 23.027 -10.999 -14.017 1.00 0.00 C ATOM 1362 CD2 TRP A 81 21.281 -11.039 -12.655 1.00 0.00 C ATOM 1363 NE1 TRP A 81 23.484 -11.378 -12.772 1.00 0.00 N ATOM 1364 CE2 TRP A 81 22.388 -11.403 -11.917 1.00 0.00 C ATOM 1365 CE3 TRP A 81 20.003 -10.968 -12.072 1.00 0.00 C ATOM 1366 CZ2 TRP A 81 22.331 -11.724 -10.555 1.00 0.00 C ATOM 1367 CZ3 TRP A 81 19.962 -11.292 -10.711 1.00 0.00 C ATOM 1368 CH2 TRP A 81 21.068 -11.660 -9.954 1.00 0.00 C ATOM 0 H TRP A 81 21.135 -12.792 -14.892 1.00 0.00 H new ATOM 0 HA TRP A 81 18.887 -11.145 -14.918 1.00 0.00 H new ATOM 0 HB2 TRP A 81 21.442 -10.158 -16.048 1.00 0.00 H new ATOM 0 HB3 TRP A 81 20.330 -9.407 -14.921 1.00 0.00 H new ATOM 0 HD1 TRP A 81 23.656 -10.891 -14.888 1.00 0.00 H new ATOM 0 HE1 TRP A 81 24.448 -11.599 -12.524 1.00 0.00 H new ATOM 0 HE3 TRP A 81 19.123 -10.686 -12.630 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 23.213 -12.005 -9.999 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 19.004 -11.253 -10.214 1.00 0.00 H new ATOM 0 HH2 TRP A 81 20.954 -11.896 -8.906 1.00 0.00 H new ATOM 1379 N ALA A 82 20.063 -11.934 -17.876 1.00 0.00 N ATOM 1380 CA ALA A 82 19.766 -11.926 -19.298 1.00 0.00 C ATOM 1381 C ALA A 82 18.367 -12.503 -19.526 1.00 0.00 C ATOM 1382 O ALA A 82 17.775 -12.305 -20.586 1.00 0.00 O ATOM 1383 CB ALA A 82 20.847 -12.703 -20.051 1.00 0.00 C ATOM 0 H ALA A 82 20.883 -12.481 -17.615 1.00 0.00 H new ATOM 0 HA ALA A 82 19.769 -10.907 -19.684 1.00 0.00 H new ATOM 0 HB1 ALA A 82 20.623 -12.697 -21.118 1.00 0.00 H new ATOM 0 HB2 ALA A 82 21.817 -12.235 -19.881 1.00 0.00 H new ATOM 0 HB3 ALA A 82 20.872 -13.732 -19.692 1.00 0.00 H new ATOM 1389 N GLU A 83 17.880 -13.206 -18.514 1.00 0.00 N ATOM 1390 CA GLU A 83 16.562 -13.813 -18.590 1.00 0.00 C ATOM 1391 C GLU A 83 15.589 -13.089 -17.658 1.00 0.00 C ATOM 1392 O GLU A 83 14.420 -12.908 -17.995 1.00 0.00 O ATOM 1393 CB GLU A 83 16.627 -15.307 -18.263 1.00 0.00 C ATOM 1394 CG GLU A 83 17.922 -15.928 -18.790 1.00 0.00 C ATOM 1395 CD GLU A 83 18.145 -15.566 -20.260 1.00 0.00 C ATOM 1396 OE1 GLU A 83 17.179 -15.725 -21.037 1.00 0.00 O ATOM 1397 OE2 GLU A 83 19.277 -15.137 -20.574 1.00 0.00 O ATOM 0 H GLU A 83 18.375 -13.369 -17.637 1.00 0.00 H new ATOM 0 HA GLU A 83 16.196 -13.714 -19.612 1.00 0.00 H new ATOM 0 HB2 GLU A 83 16.564 -15.450 -17.184 1.00 0.00 H new ATOM 0 HB3 GLU A 83 15.770 -15.817 -18.703 1.00 0.00 H new ATOM 0 HG2 GLU A 83 18.765 -15.580 -18.194 1.00 0.00 H new ATOM 0 HG3 GLU A 83 17.881 -17.012 -18.681 1.00 0.00 H new ATOM 1404 N ILE A 84 16.107 -12.695 -16.504 1.00 0.00 N ATOM 1405 CA ILE A 84 15.298 -11.994 -15.521 1.00 0.00 C ATOM 1406 C ILE A 84 14.570 -10.833 -16.200 1.00 0.00 C ATOM 1407 O ILE A 84 13.372 -10.643 -15.998 1.00 0.00 O ATOM 1408 CB ILE A 84 16.155 -11.569 -14.327 1.00 0.00 C ATOM 1409 CG1 ILE A 84 16.816 -12.781 -13.667 1.00 0.00 C ATOM 1410 CG2 ILE A 84 15.336 -10.748 -13.329 1.00 0.00 C ATOM 1411 CD1 ILE A 84 15.891 -13.410 -12.624 1.00 0.00 C ATOM 0 H ILE A 84 17.077 -12.848 -16.228 1.00 0.00 H new ATOM 0 HA ILE A 84 14.533 -12.656 -15.115 1.00 0.00 H new ATOM 0 HB ILE A 84 16.955 -10.926 -14.693 1.00 0.00 H new ATOM 0 HG12 ILE A 84 17.069 -13.520 -14.427 1.00 0.00 H new ATOM 0 HG13 ILE A 84 17.750 -12.478 -13.194 1.00 0.00 H new ATOM 0 HG21 ILE A 84 15.969 -10.459 -12.490 1.00 0.00 H new ATOM 0 HG22 ILE A 84 14.954 -9.853 -13.821 1.00 0.00 H new ATOM 0 HG23 ILE A 84 14.501 -11.346 -12.964 1.00 0.00 H new ATOM 0 HD11 ILE A 84 16.385 -14.269 -12.170 1.00 0.00 H new ATOM 0 HD12 ILE A 84 15.660 -12.675 -11.853 1.00 0.00 H new ATOM 0 HD13 ILE A 84 14.968 -13.734 -13.105 1.00 0.00 H new ATOM 1423 N ALA A 85 15.324 -10.086 -16.993 1.00 0.00 N ATOM 1424 CA ALA A 85 14.766 -8.948 -17.703 1.00 0.00 C ATOM 1425 C ALA A 85 13.799 -9.448 -18.778 1.00 0.00 C ATOM 1426 O ALA A 85 12.652 -9.009 -18.840 1.00 0.00 O ATOM 1427 CB ALA A 85 15.900 -8.103 -18.286 1.00 0.00 C ATOM 0 H ALA A 85 16.317 -10.247 -17.159 1.00 0.00 H new ATOM 0 HA ALA A 85 14.202 -8.310 -17.023 1.00 0.00 H new ATOM 0 HB1 ALA A 85 15.481 -7.249 -18.819 1.00 0.00 H new ATOM 0 HB2 ALA A 85 16.541 -7.748 -17.479 1.00 0.00 H new ATOM 0 HB3 ALA A 85 16.487 -8.709 -18.976 1.00 0.00 H new ATOM 1433 N LYS A 86 14.298 -10.360 -19.600 1.00 0.00 N ATOM 1434 CA LYS A 86 13.493 -10.925 -20.670 1.00 0.00 C ATOM 1435 C LYS A 86 12.109 -11.284 -20.125 1.00 0.00 C ATOM 1436 O LYS A 86 11.133 -11.313 -20.872 1.00 0.00 O ATOM 1437 CB LYS A 86 14.221 -12.101 -21.324 1.00 0.00 C ATOM 1438 CG LYS A 86 15.385 -11.612 -22.189 1.00 0.00 C ATOM 1439 CD LYS A 86 16.094 -12.786 -22.868 1.00 0.00 C ATOM 1440 CE LYS A 86 17.352 -12.316 -23.602 1.00 0.00 C ATOM 1441 NZ LYS A 86 17.915 -13.414 -24.420 1.00 0.00 N ATOM 0 H LYS A 86 15.250 -10.722 -19.546 1.00 0.00 H new ATOM 0 HA LYS A 86 13.344 -10.192 -21.463 1.00 0.00 H new ATOM 0 HB2 LYS A 86 14.594 -12.776 -20.554 1.00 0.00 H new ATOM 0 HB3 LYS A 86 13.522 -12.671 -21.936 1.00 0.00 H new ATOM 0 HG2 LYS A 86 15.015 -10.919 -22.945 1.00 0.00 H new ATOM 0 HG3 LYS A 86 16.095 -11.061 -21.572 1.00 0.00 H new ATOM 0 HD2 LYS A 86 16.362 -13.534 -22.122 1.00 0.00 H new ATOM 0 HD3 LYS A 86 15.416 -13.267 -23.573 1.00 0.00 H new ATOM 0 HE2 LYS A 86 17.112 -11.466 -24.240 1.00 0.00 H new ATOM 0 HE3 LYS A 86 18.095 -11.974 -22.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 18.768 -13.079 -24.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 18.163 -14.214 -23.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 17.210 -13.722 -25.120 1.00 0.00 H new ATOM 1455 N LEU A 87 12.070 -11.550 -18.828 1.00 0.00 N ATOM 1456 CA LEU A 87 10.822 -11.906 -18.174 1.00 0.00 C ATOM 1457 C LEU A 87 9.994 -10.641 -17.940 1.00 0.00 C ATOM 1458 O LEU A 87 8.793 -10.624 -18.202 1.00 0.00 O ATOM 1459 CB LEU A 87 11.094 -12.708 -16.900 1.00 0.00 C ATOM 1460 CG LEU A 87 11.394 -14.195 -17.094 1.00 0.00 C ATOM 1461 CD1 LEU A 87 12.002 -14.802 -15.828 1.00 0.00 C ATOM 1462 CD2 LEU A 87 10.145 -14.952 -17.550 1.00 0.00 C ATOM 0 H LEU A 87 12.883 -11.526 -18.212 1.00 0.00 H new ATOM 0 HA LEU A 87 10.230 -12.560 -18.814 1.00 0.00 H new ATOM 0 HB2 LEU A 87 11.937 -12.252 -16.381 1.00 0.00 H new ATOM 0 HB3 LEU A 87 10.228 -12.615 -16.244 1.00 0.00 H new ATOM 0 HG LEU A 87 12.136 -14.293 -17.886 1.00 0.00 H new ATOM 0 HD11 LEU A 87 12.206 -15.860 -15.993 1.00 0.00 H new ATOM 0 HD12 LEU A 87 12.932 -14.287 -15.588 1.00 0.00 H new ATOM 0 HD13 LEU A 87 11.302 -14.692 -15.000 1.00 0.00 H new ATOM 0 HD21 LEU A 87 10.386 -16.007 -17.680 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.362 -14.849 -16.798 1.00 0.00 H new ATOM 0 HD23 LEU A 87 9.795 -14.540 -18.497 1.00 0.00 H new ATOM 1474 N LEU A 88 10.670 -9.613 -17.449 1.00 0.00 N ATOM 1475 CA LEU A 88 10.012 -8.346 -17.176 1.00 0.00 C ATOM 1476 C LEU A 88 10.185 -7.417 -18.380 1.00 0.00 C ATOM 1477 O LEU A 88 11.306 -7.057 -18.735 1.00 0.00 O ATOM 1478 CB LEU A 88 10.520 -7.750 -15.862 1.00 0.00 C ATOM 1479 CG LEU A 88 10.130 -8.504 -14.589 1.00 0.00 C ATOM 1480 CD1 LEU A 88 8.672 -8.230 -14.215 1.00 0.00 C ATOM 1481 CD2 LEU A 88 10.415 -10.001 -14.728 1.00 0.00 C ATOM 0 H LEU A 88 11.667 -9.631 -17.233 1.00 0.00 H new ATOM 0 HA LEU A 88 8.941 -8.495 -17.038 1.00 0.00 H new ATOM 0 HB2 LEU A 88 11.608 -7.693 -15.908 1.00 0.00 H new ATOM 0 HB3 LEU A 88 10.150 -6.728 -15.783 1.00 0.00 H new ATOM 0 HG LEU A 88 10.748 -8.134 -13.770 1.00 0.00 H new ATOM 0 HD11 LEU A 88 8.420 -8.778 -13.307 1.00 0.00 H new ATOM 0 HD12 LEU A 88 8.535 -7.162 -14.045 1.00 0.00 H new ATOM 0 HD13 LEU A 88 8.021 -8.555 -15.027 1.00 0.00 H new ATOM 0 HD21 LEU A 88 10.129 -10.513 -13.809 1.00 0.00 H new ATOM 0 HD22 LEU A 88 9.841 -10.405 -15.562 1.00 0.00 H new ATOM 0 HD23 LEU A 88 11.479 -10.153 -14.912 1.00 0.00 H new ATOM 1493 N PRO A 89 9.027 -7.047 -18.991 1.00 0.00 N ATOM 1494 CA PRO A 89 9.040 -6.167 -20.147 1.00 0.00 C ATOM 1495 C PRO A 89 9.325 -4.722 -19.733 1.00 0.00 C ATOM 1496 O PRO A 89 8.405 -3.974 -19.405 1.00 0.00 O ATOM 1497 CB PRO A 89 7.673 -6.343 -20.789 1.00 0.00 C ATOM 1498 CG PRO A 89 6.785 -6.954 -19.718 1.00 0.00 C ATOM 1499 CD PRO A 89 7.681 -7.454 -18.598 1.00 0.00 C ATOM 0 HA PRO A 89 9.832 -6.412 -20.854 1.00 0.00 H new ATOM 0 HB2 PRO A 89 7.275 -5.387 -21.128 1.00 0.00 H new ATOM 0 HB3 PRO A 89 7.733 -6.991 -21.663 1.00 0.00 H new ATOM 0 HG2 PRO A 89 6.079 -6.215 -19.340 1.00 0.00 H new ATOM 0 HG3 PRO A 89 6.198 -7.774 -20.131 1.00 0.00 H new ATOM 0 HD2 PRO A 89 7.399 -7.017 -17.640 1.00 0.00 H new ATOM 0 HD3 PRO A 89 7.611 -8.536 -18.488 1.00 0.00 H new ATOM 1507 N GLY A 90 10.602 -4.373 -19.762 1.00 0.00 N ATOM 1508 CA GLY A 90 11.020 -3.030 -19.394 1.00 0.00 C ATOM 1509 C GLY A 90 12.232 -3.070 -18.462 1.00 0.00 C ATOM 1510 O GLY A 90 12.185 -2.536 -17.354 1.00 0.00 O ATOM 0 H GLY A 90 11.362 -4.996 -20.035 1.00 0.00 H new ATOM 0 HA2 GLY A 90 11.266 -2.463 -20.292 1.00 0.00 H new ATOM 0 HA3 GLY A 90 10.197 -2.510 -18.904 1.00 0.00 H new ATOM 1514 N ARG A 91 13.289 -3.706 -18.943 1.00 0.00 N ATOM 1515 CA ARG A 91 14.511 -3.822 -18.166 1.00 0.00 C ATOM 1516 C ARG A 91 15.497 -4.761 -18.865 1.00 0.00 C ATOM 1517 O ARG A 91 15.090 -5.665 -19.592 1.00 0.00 O ATOM 1518 CB ARG A 91 14.222 -4.351 -16.760 1.00 0.00 C ATOM 1519 CG ARG A 91 14.889 -3.476 -15.697 1.00 0.00 C ATOM 1520 CD ARG A 91 14.279 -2.073 -15.680 1.00 0.00 C ATOM 1521 NE ARG A 91 12.999 -2.087 -14.937 1.00 0.00 N ATOM 1522 CZ ARG A 91 12.456 -1.009 -14.356 1.00 0.00 C ATOM 1523 NH1 ARG A 91 13.078 0.176 -14.429 1.00 0.00 N ATOM 1524 NH2 ARG A 91 11.290 -1.115 -13.703 1.00 0.00 N ATOM 0 H ARG A 91 13.325 -4.147 -19.862 1.00 0.00 H new ATOM 0 HA ARG A 91 14.948 -2.827 -18.084 1.00 0.00 H new ATOM 0 HB2 ARG A 91 13.145 -4.377 -16.592 1.00 0.00 H new ATOM 0 HB3 ARG A 91 14.583 -5.376 -16.672 1.00 0.00 H new ATOM 0 HG2 ARG A 91 14.775 -3.938 -14.716 1.00 0.00 H new ATOM 0 HG3 ARG A 91 15.959 -3.409 -15.895 1.00 0.00 H new ATOM 0 HD2 ARG A 91 14.972 -1.372 -15.214 1.00 0.00 H new ATOM 0 HD3 ARG A 91 14.113 -1.727 -16.700 1.00 0.00 H new ATOM 0 HE ARG A 91 12.499 -2.973 -14.863 1.00 0.00 H new ATOM 0 HH11 ARG A 91 13.965 0.257 -14.927 1.00 0.00 H new ATOM 0 HH12 ARG A 91 12.665 0.997 -13.987 1.00 0.00 H new ATOM 0 HH21 ARG A 91 10.816 -2.017 -13.648 1.00 0.00 H new ATOM 0 HH22 ARG A 91 10.877 -0.294 -13.261 1.00 0.00 H new ATOM 1538 N THR A 92 16.775 -4.515 -18.618 1.00 0.00 N ATOM 1539 CA THR A 92 17.823 -5.327 -19.214 1.00 0.00 C ATOM 1540 C THR A 92 18.537 -6.149 -18.139 1.00 0.00 C ATOM 1541 O THR A 92 18.108 -6.176 -16.987 1.00 0.00 O ATOM 1542 CB THR A 92 18.758 -4.398 -19.990 1.00 0.00 C ATOM 1543 OG1 THR A 92 18.958 -3.294 -19.112 1.00 0.00 O ATOM 1544 CG2 THR A 92 18.084 -3.780 -21.217 1.00 0.00 C ATOM 0 H THR A 92 17.109 -3.765 -18.013 1.00 0.00 H new ATOM 0 HA THR A 92 17.410 -6.054 -19.914 1.00 0.00 H new ATOM 0 HB THR A 92 19.643 -4.953 -20.302 1.00 0.00 H new ATOM 0 HG1 THR A 92 19.555 -2.643 -19.536 1.00 0.00 H new ATOM 0 HG21 THR A 92 18.791 -3.129 -21.732 1.00 0.00 H new ATOM 0 HG22 THR A 92 17.762 -4.572 -21.893 1.00 0.00 H new ATOM 0 HG23 THR A 92 17.218 -3.197 -20.902 1.00 0.00 H new ATOM 1552 N ASP A 93 19.614 -6.798 -18.555 1.00 0.00 N ATOM 1553 CA ASP A 93 20.392 -7.618 -17.642 1.00 0.00 C ATOM 1554 C ASP A 93 21.250 -6.713 -16.755 1.00 0.00 C ATOM 1555 O ASP A 93 21.379 -6.956 -15.556 1.00 0.00 O ATOM 1556 CB ASP A 93 21.329 -8.556 -18.406 1.00 0.00 C ATOM 1557 CG ASP A 93 22.017 -7.933 -19.622 1.00 0.00 C ATOM 1558 OD1 ASP A 93 21.316 -7.754 -20.641 1.00 0.00 O ATOM 1559 OD2 ASP A 93 23.229 -7.650 -19.505 1.00 0.00 O ATOM 0 H ASP A 93 19.966 -6.773 -19.512 1.00 0.00 H new ATOM 0 HA ASP A 93 19.698 -8.209 -17.045 1.00 0.00 H new ATOM 0 HB2 ASP A 93 22.095 -8.918 -17.720 1.00 0.00 H new ATOM 0 HB3 ASP A 93 20.759 -9.425 -18.735 1.00 0.00 H new ATOM 1564 N ASN A 94 21.814 -5.689 -17.379 1.00 0.00 N ATOM 1565 CA ASN A 94 22.655 -4.747 -16.661 1.00 0.00 C ATOM 1566 C ASN A 94 21.827 -4.051 -15.579 1.00 0.00 C ATOM 1567 O ASN A 94 22.378 -3.508 -14.623 1.00 0.00 O ATOM 1568 CB ASN A 94 23.204 -3.672 -17.601 1.00 0.00 C ATOM 1569 CG ASN A 94 23.166 -2.293 -16.938 1.00 0.00 C ATOM 1570 OD1 ASN A 94 24.045 -1.915 -16.181 1.00 0.00 O ATOM 1571 ND2 ASN A 94 22.102 -1.566 -17.265 1.00 0.00 N ATOM 0 H ASN A 94 21.705 -5.491 -18.374 1.00 0.00 H new ATOM 0 HA ASN A 94 23.485 -5.302 -16.223 1.00 0.00 H new ATOM 0 HB2 ASN A 94 24.229 -3.917 -17.881 1.00 0.00 H new ATOM 0 HB3 ASN A 94 22.618 -3.654 -18.520 1.00 0.00 H new ATOM 0 HD21 ASN A 94 21.984 -0.631 -16.876 1.00 0.00 H new ATOM 0 HD22 ASN A 94 21.403 -1.944 -17.905 1.00 0.00 H new ATOM 1578 N ALA A 95 20.516 -4.091 -15.766 1.00 0.00 N ATOM 1579 CA ALA A 95 19.605 -3.471 -14.818 1.00 0.00 C ATOM 1580 C ALA A 95 19.421 -4.398 -13.614 1.00 0.00 C ATOM 1581 O ALA A 95 19.822 -4.062 -12.501 1.00 0.00 O ATOM 1582 CB ALA A 95 18.282 -3.151 -15.515 1.00 0.00 C ATOM 0 H ALA A 95 20.063 -4.543 -16.560 1.00 0.00 H new ATOM 0 HA ALA A 95 20.015 -2.530 -14.451 1.00 0.00 H new ATOM 0 HB1 ALA A 95 17.599 -2.686 -14.804 1.00 0.00 H new ATOM 0 HB2 ALA A 95 18.464 -2.467 -16.344 1.00 0.00 H new ATOM 0 HB3 ALA A 95 17.839 -4.072 -15.895 1.00 0.00 H new ATOM 1588 N VAL A 96 18.814 -5.545 -13.879 1.00 0.00 N ATOM 1589 CA VAL A 96 18.572 -6.523 -12.831 1.00 0.00 C ATOM 1590 C VAL A 96 19.893 -6.857 -12.136 1.00 0.00 C ATOM 1591 O VAL A 96 20.034 -6.651 -10.931 1.00 0.00 O ATOM 1592 CB VAL A 96 17.875 -7.754 -13.415 1.00 0.00 C ATOM 1593 CG1 VAL A 96 17.642 -8.814 -12.337 1.00 0.00 C ATOM 1594 CG2 VAL A 96 16.562 -7.368 -14.098 1.00 0.00 C ATOM 0 H VAL A 96 18.482 -5.820 -14.804 1.00 0.00 H new ATOM 0 HA VAL A 96 17.902 -6.115 -12.075 1.00 0.00 H new ATOM 0 HB VAL A 96 18.532 -8.184 -14.171 1.00 0.00 H new ATOM 0 HG11 VAL A 96 17.145 -9.678 -12.778 1.00 0.00 H new ATOM 0 HG12 VAL A 96 18.599 -9.121 -11.916 1.00 0.00 H new ATOM 0 HG13 VAL A 96 17.015 -8.399 -11.548 1.00 0.00 H new ATOM 0 HG21 VAL A 96 16.087 -8.261 -14.504 1.00 0.00 H new ATOM 0 HG22 VAL A 96 15.897 -6.902 -13.371 1.00 0.00 H new ATOM 0 HG23 VAL A 96 16.765 -6.665 -14.906 1.00 0.00 H new ATOM 1604 N LYS A 97 20.827 -7.367 -12.924 1.00 0.00 N ATOM 1605 CA LYS A 97 22.132 -7.731 -12.399 1.00 0.00 C ATOM 1606 C LYS A 97 22.583 -6.676 -11.388 1.00 0.00 C ATOM 1607 O LYS A 97 22.924 -7.004 -10.253 1.00 0.00 O ATOM 1608 CB LYS A 97 23.126 -7.953 -13.541 1.00 0.00 C ATOM 1609 CG LYS A 97 24.482 -8.417 -13.006 1.00 0.00 C ATOM 1610 CD LYS A 97 25.443 -8.740 -14.151 1.00 0.00 C ATOM 1611 CE LYS A 97 25.891 -7.465 -14.868 1.00 0.00 C ATOM 1612 NZ LYS A 97 27.332 -7.218 -14.635 1.00 0.00 N ATOM 0 H LYS A 97 20.706 -7.537 -13.922 1.00 0.00 H new ATOM 0 HA LYS A 97 22.077 -8.680 -11.866 1.00 0.00 H new ATOM 0 HB2 LYS A 97 22.730 -8.697 -14.233 1.00 0.00 H new ATOM 0 HB3 LYS A 97 23.251 -7.028 -14.104 1.00 0.00 H new ATOM 0 HG2 LYS A 97 24.912 -7.640 -12.374 1.00 0.00 H new ATOM 0 HG3 LYS A 97 24.347 -9.299 -12.380 1.00 0.00 H new ATOM 0 HD2 LYS A 97 26.314 -9.267 -13.762 1.00 0.00 H new ATOM 0 HD3 LYS A 97 24.956 -9.409 -14.861 1.00 0.00 H new ATOM 0 HE2 LYS A 97 25.700 -7.556 -15.937 1.00 0.00 H new ATOM 0 HE3 LYS A 97 25.308 -6.616 -14.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 27.620 -6.349 -15.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 27.505 -7.110 -13.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 27.885 -8.021 -14.997 1.00 0.00 H new ATOM 1626 N ASN A 98 22.571 -5.429 -11.836 1.00 0.00 N ATOM 1627 CA ASN A 98 22.974 -4.323 -10.984 1.00 0.00 C ATOM 1628 C ASN A 98 22.038 -4.248 -9.776 1.00 0.00 C ATOM 1629 O ASN A 98 22.495 -4.149 -8.638 1.00 0.00 O ATOM 1630 CB ASN A 98 22.889 -2.992 -11.733 1.00 0.00 C ATOM 1631 CG ASN A 98 23.627 -1.887 -10.973 1.00 0.00 C ATOM 1632 OD1 ASN A 98 23.198 -1.423 -9.930 1.00 0.00 O ATOM 1633 ND2 ASN A 98 24.757 -1.494 -11.553 1.00 0.00 N ATOM 0 H ASN A 98 22.288 -5.160 -12.778 1.00 0.00 H new ATOM 0 HA ASN A 98 24.004 -4.495 -10.672 1.00 0.00 H new ATOM 0 HB2 ASN A 98 23.319 -3.103 -12.729 1.00 0.00 H new ATOM 0 HB3 ASN A 98 21.844 -2.711 -11.866 1.00 0.00 H new ATOM 0 HD21 ASN A 98 25.322 -0.761 -11.124 1.00 0.00 H new ATOM 0 HD22 ASN A 98 25.058 -1.925 -12.427 1.00 0.00 H new ATOM 1640 N HIS A 99 20.746 -4.298 -10.065 1.00 0.00 N ATOM 1641 CA HIS A 99 19.742 -4.236 -9.017 1.00 0.00 C ATOM 1642 C HIS A 99 20.043 -5.296 -7.955 1.00 0.00 C ATOM 1643 O HIS A 99 19.677 -5.137 -6.792 1.00 0.00 O ATOM 1644 CB HIS A 99 18.335 -4.367 -9.603 1.00 0.00 C ATOM 1645 CG HIS A 99 17.229 -4.188 -8.592 1.00 0.00 C ATOM 1646 ND1 HIS A 99 17.400 -3.489 -7.410 1.00 0.00 N ATOM 1647 CD2 HIS A 99 15.936 -4.623 -8.598 1.00 0.00 C ATOM 1648 CE1 HIS A 99 16.255 -3.509 -6.742 1.00 0.00 C ATOM 1649 NE2 HIS A 99 15.350 -4.213 -7.480 1.00 0.00 N ATOM 0 H HIS A 99 20.371 -4.381 -11.010 1.00 0.00 H new ATOM 0 HA HIS A 99 19.780 -3.262 -8.530 1.00 0.00 H new ATOM 0 HB2 HIS A 99 18.212 -3.628 -10.395 1.00 0.00 H new ATOM 0 HB3 HIS A 99 18.235 -5.349 -10.065 1.00 0.00 H new ATOM 0 HD2 HIS A 99 15.468 -5.203 -9.380 1.00 0.00 H new ATOM 0 HE1 HIS A 99 16.071 -3.049 -5.782 1.00 0.00 H new ATOM 0 HE2 HIS A 99 14.382 -4.395 -7.216 1.00 0.00 H new ATOM 1657 N TRP A 100 20.707 -6.356 -8.394 1.00 0.00 N ATOM 1658 CA TRP A 100 21.061 -7.442 -7.497 1.00 0.00 C ATOM 1659 C TRP A 100 22.057 -6.900 -6.469 1.00 0.00 C ATOM 1660 O TRP A 100 21.876 -7.087 -5.266 1.00 0.00 O ATOM 1661 CB TRP A 100 21.600 -8.643 -8.275 1.00 0.00 C ATOM 1662 CG TRP A 100 21.437 -9.980 -7.549 1.00 0.00 C ATOM 1663 CD1 TRP A 100 22.368 -10.917 -7.327 1.00 0.00 C ATOM 1664 CD2 TRP A 100 20.226 -10.494 -6.956 1.00 0.00 C ATOM 1665 NE1 TRP A 100 21.848 -11.993 -6.636 1.00 0.00 N ATOM 1666 CE2 TRP A 100 20.504 -11.727 -6.404 1.00 0.00 C ATOM 1667 CE3 TRP A 100 18.937 -9.934 -6.889 1.00 0.00 C ATOM 1668 CZ2 TRP A 100 19.545 -12.506 -5.744 1.00 0.00 C ATOM 1669 CZ3 TRP A 100 17.990 -10.725 -6.227 1.00 0.00 C ATOM 1670 CH2 TRP A 100 18.255 -11.969 -5.665 1.00 0.00 C ATOM 0 H TRP A 100 21.009 -6.485 -9.360 1.00 0.00 H new ATOM 0 HA TRP A 100 20.180 -7.809 -6.970 1.00 0.00 H new ATOM 0 HB2 TRP A 100 21.089 -8.699 -9.236 1.00 0.00 H new ATOM 0 HB3 TRP A 100 22.657 -8.482 -8.485 1.00 0.00 H new ATOM 0 HD1 TRP A 100 23.396 -10.840 -7.648 1.00 0.00 H new ATOM 0 HE1 TRP A 100 22.357 -12.829 -6.349 1.00 0.00 H new ATOM 0 HE3 TRP A 100 18.697 -8.971 -7.314 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 19.788 -13.469 -5.319 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 16.983 -10.342 -6.147 1.00 0.00 H new ATOM 0 HH2 TRP A 100 17.468 -12.519 -5.169 1.00 0.00 H new ATOM 1681 N ASN A 101 23.085 -6.240 -6.980 1.00 0.00 N ATOM 1682 CA ASN A 101 24.109 -5.669 -6.121 1.00 0.00 C ATOM 1683 C ASN A 101 23.686 -4.262 -5.694 1.00 0.00 C ATOM 1684 O ASN A 101 24.425 -3.574 -4.991 1.00 0.00 O ATOM 1685 CB ASN A 101 25.446 -5.558 -6.857 1.00 0.00 C ATOM 1686 CG ASN A 101 26.106 -6.930 -7.006 1.00 0.00 C ATOM 1687 OD1 ASN A 101 26.552 -7.541 -6.048 1.00 0.00 O ATOM 1688 ND2 ASN A 101 26.144 -7.379 -8.257 1.00 0.00 N ATOM 0 H ASN A 101 23.231 -6.088 -7.978 1.00 0.00 H new ATOM 0 HA ASN A 101 24.226 -6.322 -5.256 1.00 0.00 H new ATOM 0 HB2 ASN A 101 25.288 -5.118 -7.842 1.00 0.00 H new ATOM 0 HB3 ASN A 101 26.111 -4.888 -6.312 1.00 0.00 H new ATOM 0 HD21 ASN A 101 26.565 -8.285 -8.461 1.00 0.00 H new ATOM 0 HD22 ASN A 101 25.752 -6.817 -9.013 1.00 0.00 H new ATOM 1695 N SER A 102 22.498 -3.877 -6.137 1.00 0.00 N ATOM 1696 CA SER A 102 21.968 -2.564 -5.810 1.00 0.00 C ATOM 1697 C SER A 102 21.479 -2.544 -4.360 1.00 0.00 C ATOM 1698 O SER A 102 22.178 -2.056 -3.473 1.00 0.00 O ATOM 1699 CB SER A 102 20.831 -2.177 -6.759 1.00 0.00 C ATOM 1700 OG SER A 102 20.254 -0.921 -6.415 1.00 0.00 O ATOM 0 H SER A 102 21.888 -4.451 -6.719 1.00 0.00 H new ATOM 0 HA SER A 102 22.768 -1.833 -5.928 1.00 0.00 H new ATOM 0 HB2 SER A 102 21.210 -2.135 -7.780 1.00 0.00 H new ATOM 0 HB3 SER A 102 20.061 -2.948 -6.736 1.00 0.00 H new ATOM 0 HG SER A 102 19.534 -0.708 -7.045 1.00 0.00 H new ATOM 1706 N THR A 103 20.283 -3.079 -4.165 1.00 0.00 N ATOM 1707 CA THR A 103 19.693 -3.128 -2.838 1.00 0.00 C ATOM 1708 C THR A 103 19.266 -4.557 -2.497 1.00 0.00 C ATOM 1709 O THR A 103 18.881 -4.840 -1.363 1.00 0.00 O ATOM 1710 CB THR A 103 18.541 -2.123 -2.795 1.00 0.00 C ATOM 1711 OG1 THR A 103 19.152 -0.912 -2.357 1.00 0.00 O ATOM 1712 CG2 THR A 103 17.523 -2.445 -1.699 1.00 0.00 C ATOM 0 H THR A 103 19.706 -3.482 -4.903 1.00 0.00 H new ATOM 0 HA THR A 103 20.417 -2.847 -2.073 1.00 0.00 H new ATOM 0 HB THR A 103 18.039 -2.106 -3.762 1.00 0.00 H new ATOM 0 HG1 THR A 103 20.017 -1.113 -1.942 1.00 0.00 H new ATOM 0 HG21 THR A 103 16.727 -1.701 -1.712 1.00 0.00 H new ATOM 0 HG22 THR A 103 17.099 -3.434 -1.875 1.00 0.00 H new ATOM 0 HG23 THR A 103 18.017 -2.430 -0.728 1.00 0.00 H new ATOM 1720 N ILE A 104 19.347 -5.420 -3.499 1.00 0.00 N ATOM 1721 CA ILE A 104 18.974 -6.813 -3.320 1.00 0.00 C ATOM 1722 C ILE A 104 20.237 -7.655 -3.135 1.00 0.00 C ATOM 1723 O ILE A 104 20.335 -8.759 -3.668 1.00 0.00 O ATOM 1724 CB ILE A 104 18.085 -7.282 -4.474 1.00 0.00 C ATOM 1725 CG1 ILE A 104 16.979 -6.265 -4.763 1.00 0.00 C ATOM 1726 CG2 ILE A 104 17.523 -8.678 -4.200 1.00 0.00 C ATOM 1727 CD1 ILE A 104 16.485 -6.387 -6.205 1.00 0.00 C ATOM 0 H ILE A 104 19.666 -5.181 -4.438 1.00 0.00 H new ATOM 0 HA ILE A 104 18.375 -6.934 -2.417 1.00 0.00 H new ATOM 0 HB ILE A 104 18.699 -7.353 -5.372 1.00 0.00 H new ATOM 0 HG12 ILE A 104 16.148 -6.421 -4.076 1.00 0.00 H new ATOM 0 HG13 ILE A 104 17.353 -5.256 -4.587 1.00 0.00 H new ATOM 0 HG21 ILE A 104 16.895 -8.988 -5.035 1.00 0.00 H new ATOM 0 HG22 ILE A 104 18.345 -9.384 -4.083 1.00 0.00 H new ATOM 0 HG23 ILE A 104 16.928 -8.658 -3.287 1.00 0.00 H new ATOM 0 HD11 ILE A 104 15.699 -5.653 -6.384 1.00 0.00 H new ATOM 0 HD12 ILE A 104 17.313 -6.206 -6.890 1.00 0.00 H new ATOM 0 HD13 ILE A 104 16.090 -7.389 -6.371 1.00 0.00 H new ATOM 1739 N LYS A 105 21.173 -7.102 -2.377 1.00 0.00 N ATOM 1740 CA LYS A 105 22.426 -7.789 -2.115 1.00 0.00 C ATOM 1741 C LYS A 105 22.643 -7.886 -0.603 1.00 0.00 C ATOM 1742 O LYS A 105 23.763 -7.724 -0.122 1.00 0.00 O ATOM 1743 CB LYS A 105 23.576 -7.108 -2.859 1.00 0.00 C ATOM 1744 CG LYS A 105 23.249 -5.643 -3.151 1.00 0.00 C ATOM 1745 CD LYS A 105 22.865 -4.901 -1.869 1.00 0.00 C ATOM 1746 CE LYS A 105 23.964 -3.921 -1.453 1.00 0.00 C ATOM 1747 NZ LYS A 105 23.882 -3.635 -0.003 1.00 0.00 N ATOM 0 H LYS A 105 21.088 -6.186 -1.936 1.00 0.00 H new ATOM 0 HA LYS A 105 22.389 -8.809 -2.498 1.00 0.00 H new ATOM 0 HB2 LYS A 105 24.486 -7.169 -2.263 1.00 0.00 H new ATOM 0 HB3 LYS A 105 23.771 -7.634 -3.794 1.00 0.00 H new ATOM 0 HG2 LYS A 105 24.110 -5.159 -3.611 1.00 0.00 H new ATOM 0 HG3 LYS A 105 22.430 -5.585 -3.868 1.00 0.00 H new ATOM 0 HD2 LYS A 105 21.931 -4.361 -2.023 1.00 0.00 H new ATOM 0 HD3 LYS A 105 22.690 -5.619 -1.068 1.00 0.00 H new ATOM 0 HE2 LYS A 105 24.942 -4.339 -1.692 1.00 0.00 H new ATOM 0 HE3 LYS A 105 23.866 -2.994 -2.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 24.635 -2.968 0.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 22.956 -3.216 0.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 23.998 -4.519 0.532 1.00 0.00 H new ATOM 1761 N ARG A 106 21.554 -8.150 0.103 1.00 0.00 N ATOM 1762 CA ARG A 106 21.611 -8.270 1.550 1.00 0.00 C ATOM 1763 C ARG A 106 21.759 -9.738 1.955 1.00 0.00 C ATOM 1764 O ARG A 106 22.743 -10.114 2.590 1.00 0.00 O ATOM 1765 CB ARG A 106 20.353 -7.693 2.201 1.00 0.00 C ATOM 1766 CG ARG A 106 20.627 -6.308 2.792 1.00 0.00 C ATOM 1767 CD ARG A 106 19.439 -5.823 3.625 1.00 0.00 C ATOM 1768 NE ARG A 106 18.523 -5.022 2.781 1.00 0.00 N ATOM 1769 CZ ARG A 106 17.278 -4.680 3.140 1.00 0.00 C ATOM 1770 NH1 ARG A 106 16.792 -5.066 4.327 1.00 0.00 N ATOM 1771 NH2 ARG A 106 16.519 -3.951 2.310 1.00 0.00 N ATOM 0 H ARG A 106 20.627 -8.284 -0.300 1.00 0.00 H new ATOM 0 HA ARG A 106 22.477 -7.705 1.896 1.00 0.00 H new ATOM 0 HB2 ARG A 106 19.555 -7.625 1.462 1.00 0.00 H new ATOM 0 HB3 ARG A 106 20.005 -8.365 2.986 1.00 0.00 H new ATOM 0 HG2 ARG A 106 21.521 -6.345 3.414 1.00 0.00 H new ATOM 0 HG3 ARG A 106 20.826 -5.599 1.989 1.00 0.00 H new ATOM 0 HD2 ARG A 106 18.907 -6.676 4.046 1.00 0.00 H new ATOM 0 HD3 ARG A 106 19.793 -5.223 4.463 1.00 0.00 H new ATOM 0 HE ARG A 106 18.861 -4.711 1.870 1.00 0.00 H new ATOM 0 HH11 ARG A 106 17.370 -5.621 4.959 1.00 0.00 H new ATOM 0 HH12 ARG A 106 15.844 -4.805 4.599 1.00 0.00 H new ATOM 0 HH21 ARG A 106 16.889 -3.657 1.406 1.00 0.00 H new ATOM 0 HH22 ARG A 106 15.571 -3.690 2.582 1.00 0.00 H new ATOM 1785 N LYS A 107 20.766 -10.528 1.572 1.00 0.00 N ATOM 1786 CA LYS A 107 20.774 -11.946 1.887 1.00 0.00 C ATOM 1787 C LYS A 107 21.948 -12.617 1.172 1.00 0.00 C ATOM 1788 O LYS A 107 21.803 -13.098 0.050 1.00 0.00 O ATOM 1789 CB LYS A 107 19.417 -12.574 1.564 1.00 0.00 C ATOM 1790 CG LYS A 107 18.974 -13.527 2.676 1.00 0.00 C ATOM 1791 CD LYS A 107 18.779 -14.945 2.137 1.00 0.00 C ATOM 1792 CE LYS A 107 18.330 -15.897 3.248 1.00 0.00 C ATOM 1793 NZ LYS A 107 19.120 -17.147 3.211 1.00 0.00 N ATOM 0 H LYS A 107 19.951 -10.212 1.046 1.00 0.00 H new ATOM 0 HA LYS A 107 20.923 -12.098 2.956 1.00 0.00 H new ATOM 0 HB2 LYS A 107 18.671 -11.790 1.434 1.00 0.00 H new ATOM 0 HB3 LYS A 107 19.478 -13.115 0.620 1.00 0.00 H new ATOM 0 HG2 LYS A 107 19.720 -13.536 3.471 1.00 0.00 H new ATOM 0 HG3 LYS A 107 18.043 -13.170 3.116 1.00 0.00 H new ATOM 0 HD2 LYS A 107 18.037 -14.936 1.339 1.00 0.00 H new ATOM 0 HD3 LYS A 107 19.711 -15.303 1.701 1.00 0.00 H new ATOM 0 HE2 LYS A 107 18.448 -15.414 4.218 1.00 0.00 H new ATOM 0 HE3 LYS A 107 17.271 -16.126 3.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 18.802 -17.781 3.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 18.987 -17.615 2.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 20.127 -16.925 3.344 1.00 0.00 H new ATOM 1807 N VAL A 108 23.085 -12.628 1.852 1.00 0.00 N ATOM 1808 CA VAL A 108 24.284 -13.232 1.296 1.00 0.00 C ATOM 1809 C VAL A 108 25.224 -13.632 2.435 1.00 0.00 C ATOM 1810 O VAL A 108 25.711 -14.761 2.475 1.00 0.00 O ATOM 1811 CB VAL A 108 24.934 -12.277 0.292 1.00 0.00 C ATOM 1812 CG1 VAL A 108 26.457 -12.280 0.439 1.00 0.00 C ATOM 1813 CG2 VAL A 108 24.520 -12.623 -1.140 1.00 0.00 C ATOM 0 H VAL A 108 23.201 -12.228 2.783 1.00 0.00 H new ATOM 0 HA VAL A 108 24.034 -14.140 0.747 1.00 0.00 H new ATOM 0 HB VAL A 108 24.579 -11.270 0.509 1.00 0.00 H new ATOM 0 HG11 VAL A 108 26.894 -11.593 -0.286 1.00 0.00 H new ATOM 0 HG12 VAL A 108 26.726 -11.963 1.447 1.00 0.00 H new ATOM 0 HG13 VAL A 108 26.838 -13.286 0.261 1.00 0.00 H new ATOM 0 HG21 VAL A 108 24.995 -11.930 -1.834 1.00 0.00 H new ATOM 0 HG22 VAL A 108 24.832 -13.641 -1.373 1.00 0.00 H new ATOM 0 HG23 VAL A 108 23.437 -12.545 -1.234 1.00 0.00 H new ATOM 1823 N ASP A 109 25.450 -12.685 3.333 1.00 0.00 N ATOM 1824 CA ASP A 109 26.323 -12.924 4.470 1.00 0.00 C ATOM 1825 C ASP A 109 25.924 -11.996 5.618 1.00 0.00 C ATOM 1826 O ASP A 109 26.646 -11.053 5.939 1.00 0.00 O ATOM 1827 CB ASP A 109 27.783 -12.636 4.114 1.00 0.00 C ATOM 1828 CG ASP A 109 28.814 -13.429 4.920 1.00 0.00 C ATOM 1829 OD1 ASP A 109 28.401 -14.029 5.935 1.00 0.00 O ATOM 1830 OD2 ASP A 109 29.992 -13.417 4.502 1.00 0.00 O ATOM 0 H ASP A 109 25.044 -11.750 3.297 1.00 0.00 H new ATOM 0 HA ASP A 109 26.222 -13.970 4.758 1.00 0.00 H new ATOM 0 HB2 ASP A 109 27.931 -12.847 3.055 1.00 0.00 H new ATOM 0 HB3 ASP A 109 27.973 -11.572 4.256 1.00 0.00 H new ATOM 1835 N THR A 110 24.775 -12.294 6.206 1.00 0.00 N ATOM 1836 CA THR A 110 24.271 -11.498 7.312 1.00 0.00 C ATOM 1837 C THR A 110 24.407 -10.006 7.001 1.00 0.00 C ATOM 1838 O THR A 110 24.165 -9.164 7.864 1.00 0.00 O ATOM 1839 CB THR A 110 25.014 -11.925 8.580 1.00 0.00 C ATOM 1840 OG1 THR A 110 24.416 -11.147 9.612 1.00 0.00 O ATOM 1841 CG2 THR A 110 26.478 -11.479 8.578 1.00 0.00 C ATOM 0 H THR A 110 24.178 -13.076 5.937 1.00 0.00 H new ATOM 0 HA THR A 110 23.206 -11.669 7.469 1.00 0.00 H new ATOM 0 HB THR A 110 24.964 -13.009 8.682 1.00 0.00 H new ATOM 0 HG1 THR A 110 24.094 -10.300 9.238 1.00 0.00 H new ATOM 0 HG21 THR A 110 26.960 -11.807 9.499 1.00 0.00 H new ATOM 0 HG22 THR A 110 26.991 -11.920 7.723 1.00 0.00 H new ATOM 0 HG23 THR A 110 26.527 -10.392 8.510 1.00 0.00 H new TER 1849 THR A 110