USER MOD reduce.3.24.130724 H: found=0, std=0, add=941, rem=0, adj=20 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 98 ASN : amide:sc= 0 X(o=-1.1,f=-1.6) USER MOD Set 1.2: A 102 SER OG : rot 25:sc= -1.1 USER MOD Set 2.1: A 92 THR OG1 : rot 128:sc= 1.22 USER MOD Set 2.2: A 94 ASN : amide:sc= 0.888 K(o=2.1,f=-3.9) USER MOD Set 3.1: A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 50 HIS : no HD1:sc= -3.74! C(o=-3.7!,f=-8.1!) 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 180:sc= 0.0121 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.703 K(o=-0.7,f=-2.6!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -145:sc= 0 (180deg=-0.947) USER MOD Single : A 24 LYS NZ :NH3+ 148:sc= 1.15 (180deg=-0.708) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -3.26 K(o=-3.3,f=-4.5!) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 151:sc= -0.157 (180deg=-0.876) USER MOD Single : A 36 HIS :FLIP no HE2:sc= -4.19! C(o=-5.9!,f=-4.2!) 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=-0.00151 X(o=-0.0015,f=-0.012) USER MOD Single : A 45 CYS SG : rot 180:sc= -1.21 USER MOD Single : A 51 ASN :FLIP amide:sc= -0.623 F(o=-2.4!,f=-0.62) USER MOD Single : A 52 HIS :FLIP no HD1:sc= -4.8! C(o=-6.5!,f=-4.8!) USER MOD Single : A 54 ASN : amide:sc= -2.54 K(o=-2.5,f=-6.3!) USER MOD Single : A 58 LYS NZ :NH3+ 166:sc= 0.00666 (180deg=0.0017) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 170:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.0166 USER MOD Single : A 74 HIS : no HD1:sc= -12.6! C(o=-13!,f=-14!) USER MOD Single : A 75 LYS NZ :NH3+ -122:sc= 0 (180deg=-0.107) USER MOD Single : A 79 ASN : amide:sc= -0.407 K(o=-0.41,f=-1.5!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 HIS : no HD1:sc= -19.5! C(o=-20!,f=-20!) USER MOD Single : A 101 ASN : amide:sc= -0.0811 K(o=-0.081,f=-3.7!) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot -41:sc= 0.341 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.304 14.533 27.245 1.00 0.00 N ATOM 2 CA GLY A 1 -17.884 13.806 28.431 1.00 0.00 C ATOM 3 C GLY A 1 -16.928 14.648 29.279 1.00 0.00 C ATOM 4 O GLY A 1 -17.364 15.417 30.134 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.952 13.941 26.686 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.791 15.407 27.528 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.470 14.771 26.671 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.757 13.533 29.023 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.395 12.877 28.138 1.00 0.00 H new ATOM 8 N ILE A 2 -15.642 14.473 29.013 1.00 0.00 N ATOM 9 CA ILE A 2 -14.620 15.206 29.741 1.00 0.00 C ATOM 10 C ILE A 2 -14.635 16.670 29.296 1.00 0.00 C ATOM 11 O ILE A 2 -15.100 16.985 28.202 1.00 0.00 O ATOM 12 CB ILE A 2 -13.258 14.528 29.582 1.00 0.00 C ATOM 13 CG1 ILE A 2 -12.947 14.263 28.108 1.00 0.00 C ATOM 14 CG2 ILE A 2 -13.178 13.253 30.424 1.00 0.00 C ATOM 15 CD1 ILE A 2 -11.885 15.234 27.588 1.00 0.00 C ATOM 0 H ILE A 2 -15.284 13.834 28.303 1.00 0.00 H new ATOM 0 HA ILE A 2 -14.832 15.195 30.810 1.00 0.00 H new ATOM 0 HB ILE A 2 -12.492 15.208 29.955 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -12.599 13.238 27.985 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -13.857 14.364 27.517 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -12.200 12.791 30.293 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -13.324 13.501 31.475 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -13.954 12.557 30.105 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -11.683 15.024 26.538 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -12.246 16.257 27.690 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -10.968 15.114 28.165 1.00 0.00 H new ATOM 27 N PRO A 3 -14.106 17.548 30.191 1.00 0.00 N ATOM 28 CA PRO A 3 -14.054 18.971 29.901 1.00 0.00 C ATOM 29 C PRO A 3 -12.951 19.284 28.889 1.00 0.00 C ATOM 30 O PRO A 3 -12.307 20.329 28.970 1.00 0.00 O ATOM 31 CB PRO A 3 -13.831 19.638 31.248 1.00 0.00 C ATOM 32 CG PRO A 3 -13.304 18.551 32.170 1.00 0.00 C ATOM 33 CD PRO A 3 -13.546 17.210 31.496 1.00 0.00 C ATOM 0 HA PRO A 3 -14.968 19.340 29.435 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -13.118 20.458 31.164 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -14.759 20.060 31.633 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -12.241 18.695 32.362 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -13.810 18.590 33.135 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -12.620 16.644 31.395 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -14.234 16.594 32.075 1.00 0.00 H new ATOM 41 N ASP A 4 -12.766 18.360 27.957 1.00 0.00 N ATOM 42 CA ASP A 4 -11.752 18.524 26.930 1.00 0.00 C ATOM 43 C ASP A 4 -12.270 17.948 25.611 1.00 0.00 C ATOM 44 O ASP A 4 -13.427 17.541 25.519 1.00 0.00 O ATOM 45 CB ASP A 4 -10.468 17.780 27.300 1.00 0.00 C ATOM 46 CG ASP A 4 -9.175 18.444 26.823 1.00 0.00 C ATOM 47 OD1 ASP A 4 -9.179 19.690 26.724 1.00 0.00 O ATOM 48 OD2 ASP A 4 -8.210 17.690 26.567 1.00 0.00 O ATOM 0 H ASP A 4 -13.302 17.495 27.892 1.00 0.00 H new ATOM 0 HA ASP A 4 -11.537 19.588 26.835 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -10.426 17.675 28.384 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -10.517 16.774 26.884 1.00 0.00 H new ATOM 53 N LEU A 5 -11.388 17.932 24.622 1.00 0.00 N ATOM 54 CA LEU A 5 -11.741 17.412 23.312 1.00 0.00 C ATOM 55 C LEU A 5 -12.660 18.409 22.604 1.00 0.00 C ATOM 56 O LEU A 5 -13.106 18.161 21.485 1.00 0.00 O ATOM 57 CB LEU A 5 -12.337 16.008 23.436 1.00 0.00 C ATOM 58 CG LEU A 5 -11.754 15.127 24.543 1.00 0.00 C ATOM 59 CD1 LEU A 5 -12.840 14.261 25.184 1.00 0.00 C ATOM 60 CD2 LEU A 5 -10.587 14.288 24.019 1.00 0.00 C ATOM 0 H LEU A 5 -10.429 18.271 24.702 1.00 0.00 H new ATOM 0 HA LEU A 5 -10.851 17.302 22.693 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -13.410 16.104 23.602 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -12.207 15.494 22.484 1.00 0.00 H new ATOM 0 HG LEU A 5 -11.358 15.777 25.323 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -12.399 13.645 25.967 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -13.609 14.902 25.616 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -13.288 13.618 24.426 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -10.191 13.671 24.826 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -10.935 13.647 23.209 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -9.802 14.948 23.648 1.00 0.00 H new ATOM 72 N VAL A 6 -12.914 19.517 23.284 1.00 0.00 N ATOM 73 CA VAL A 6 -13.772 20.553 22.734 1.00 0.00 C ATOM 74 C VAL A 6 -13.173 21.926 23.050 1.00 0.00 C ATOM 75 O VAL A 6 -12.807 22.671 22.142 1.00 0.00 O ATOM 76 CB VAL A 6 -15.198 20.387 23.261 1.00 0.00 C ATOM 77 CG1 VAL A 6 -16.223 20.858 22.228 1.00 0.00 C ATOM 78 CG2 VAL A 6 -15.464 18.939 23.677 1.00 0.00 C ATOM 0 H VAL A 6 -12.541 19.720 24.211 1.00 0.00 H new ATOM 0 HA VAL A 6 -13.829 20.465 21.649 1.00 0.00 H new ATOM 0 HB VAL A 6 -15.303 21.014 24.146 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -17.229 20.729 22.628 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -16.055 21.911 22.002 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -16.117 20.270 21.316 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -16.485 18.849 24.048 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -15.331 18.283 22.817 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -14.766 18.652 24.463 1.00 0.00 H new ATOM 88 N LYS A 7 -13.093 22.218 24.339 1.00 0.00 N ATOM 89 CA LYS A 7 -12.545 23.487 24.786 1.00 0.00 C ATOM 90 C LYS A 7 -11.022 23.457 24.650 1.00 0.00 C ATOM 91 O LYS A 7 -10.343 24.416 25.015 1.00 0.00 O ATOM 92 CB LYS A 7 -13.030 23.811 26.201 1.00 0.00 C ATOM 93 CG LYS A 7 -12.837 22.615 27.134 1.00 0.00 C ATOM 94 CD LYS A 7 -14.175 21.943 27.449 1.00 0.00 C ATOM 95 CE LYS A 7 -14.591 22.201 28.899 1.00 0.00 C ATOM 96 NZ LYS A 7 -15.924 22.841 28.949 1.00 0.00 N ATOM 0 H LYS A 7 -13.399 21.598 25.089 1.00 0.00 H new ATOM 0 HA LYS A 7 -12.905 24.300 24.156 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -12.484 24.671 26.589 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -14.084 24.089 26.173 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -12.164 21.893 26.671 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -12.364 22.944 28.060 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -14.943 22.320 26.774 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -14.097 20.870 27.275 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -14.611 21.261 29.451 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -13.855 22.841 29.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -16.191 23.009 29.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -15.893 23.747 28.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -16.626 22.217 28.502 1.00 0.00 H new ATOM 110 N GLY A 8 -10.529 22.345 24.124 1.00 0.00 N ATOM 111 CA GLY A 8 -9.098 22.177 23.935 1.00 0.00 C ATOM 112 C GLY A 8 -8.768 20.754 23.479 1.00 0.00 C ATOM 113 O GLY A 8 -8.056 20.027 24.169 1.00 0.00 O ATOM 0 H GLY A 8 -11.095 21.552 23.823 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -8.739 22.892 23.195 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -8.577 22.394 24.867 1.00 0.00 H new ATOM 117 N PRO A 9 -9.316 20.391 22.288 1.00 0.00 N ATOM 118 CA PRO A 9 -9.088 19.069 21.732 1.00 0.00 C ATOM 119 C PRO A 9 -7.675 18.953 21.156 1.00 0.00 C ATOM 120 O PRO A 9 -7.051 19.960 20.825 1.00 0.00 O ATOM 121 CB PRO A 9 -10.173 18.891 20.683 1.00 0.00 C ATOM 122 CG PRO A 9 -10.678 20.288 20.364 1.00 0.00 C ATOM 123 CD PRO A 9 -10.165 21.227 21.444 1.00 0.00 C ATOM 0 HA PRO A 9 -9.146 18.281 22.483 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.778 18.406 19.791 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -10.979 18.261 21.058 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -10.326 20.606 19.383 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -11.767 20.302 20.332 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -9.603 22.056 21.014 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -10.986 21.661 22.014 1.00 0.00 H new ATOM 131 N TRP A 10 -7.211 17.715 21.055 1.00 0.00 N ATOM 132 CA TRP A 10 -5.884 17.455 20.525 1.00 0.00 C ATOM 133 C TRP A 10 -5.795 18.093 19.137 1.00 0.00 C ATOM 134 O TRP A 10 -6.801 18.543 18.591 1.00 0.00 O ATOM 135 CB TRP A 10 -5.583 15.955 20.514 1.00 0.00 C ATOM 136 CG TRP A 10 -5.540 15.318 21.904 1.00 0.00 C ATOM 137 CD1 TRP A 10 -6.314 15.595 22.963 1.00 0.00 C ATOM 138 CD2 TRP A 10 -4.640 14.280 22.347 1.00 0.00 C ATOM 139 NE1 TRP A 10 -5.981 14.814 24.051 1.00 0.00 N ATOM 140 CE2 TRP A 10 -4.931 13.989 23.665 1.00 0.00 C ATOM 141 CE3 TRP A 10 -3.615 13.609 21.658 1.00 0.00 C ATOM 142 CZ2 TRP A 10 -4.242 13.022 24.406 1.00 0.00 C ATOM 143 CZ3 TRP A 10 -2.936 12.645 22.412 1.00 0.00 C ATOM 144 CH2 TRP A 10 -3.217 12.340 23.739 1.00 0.00 C ATOM 0 H TRP A 10 -7.731 16.882 21.331 1.00 0.00 H new ATOM 0 HA TRP A 10 -5.120 17.901 21.162 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -6.340 15.447 19.916 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -4.625 15.791 20.021 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -7.099 16.336 22.964 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -6.424 14.838 24.969 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -3.371 13.821 20.628 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -4.488 12.813 25.437 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -2.138 12.100 21.929 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -2.647 11.580 24.253 1.00 0.00 H new ATOM 155 N THR A 11 -4.581 18.111 18.606 1.00 0.00 N ATOM 156 CA THR A 11 -4.347 18.687 17.293 1.00 0.00 C ATOM 157 C THR A 11 -3.153 18.009 16.618 1.00 0.00 C ATOM 158 O THR A 11 -2.713 16.945 17.051 1.00 0.00 O ATOM 159 CB THR A 11 -4.173 20.197 17.462 1.00 0.00 C ATOM 160 OG1 THR A 11 -2.849 20.338 17.972 1.00 0.00 O ATOM 161 CG2 THR A 11 -5.061 20.769 18.569 1.00 0.00 C ATOM 0 H THR A 11 -3.749 17.736 19.062 1.00 0.00 H new ATOM 0 HA THR A 11 -5.195 18.516 16.630 1.00 0.00 H new ATOM 0 HB THR A 11 -4.400 20.696 16.520 1.00 0.00 H new ATOM 0 HG1 THR A 11 -2.651 21.288 18.110 1.00 0.00 H new ATOM 0 HG21 THR A 11 -4.898 21.844 18.647 1.00 0.00 H new ATOM 0 HG22 THR A 11 -6.107 20.577 18.332 1.00 0.00 H new ATOM 0 HG23 THR A 11 -4.811 20.294 19.518 1.00 0.00 H new ATOM 169 N LYS A 12 -2.663 18.653 15.569 1.00 0.00 N ATOM 170 CA LYS A 12 -1.528 18.125 14.831 1.00 0.00 C ATOM 171 C LYS A 12 -0.383 17.836 15.803 1.00 0.00 C ATOM 172 O LYS A 12 0.373 16.884 15.611 1.00 0.00 O ATOM 173 CB LYS A 12 -1.144 19.072 13.692 1.00 0.00 C ATOM 174 CG LYS A 12 0.107 18.575 12.964 1.00 0.00 C ATOM 175 CD LYS A 12 0.492 19.521 11.825 1.00 0.00 C ATOM 176 CE LYS A 12 0.973 20.867 12.370 1.00 0.00 C ATOM 177 NZ LYS A 12 1.252 21.806 11.260 1.00 0.00 N ATOM 0 H LYS A 12 -3.031 19.535 15.213 1.00 0.00 H new ATOM 0 HA LYS A 12 -1.788 17.179 14.355 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -1.971 19.153 12.987 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -0.965 20.071 14.090 1.00 0.00 H new ATOM 0 HG2 LYS A 12 0.934 18.494 13.669 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -0.072 17.576 12.567 1.00 0.00 H new ATOM 0 HD2 LYS A 12 1.278 19.068 11.221 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -0.365 19.675 11.170 1.00 0.00 H new ATOM 0 HE2 LYS A 12 0.216 21.290 13.030 1.00 0.00 H new ATOM 0 HE3 LYS A 12 1.873 20.723 12.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 1.577 22.715 11.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 1.990 21.407 10.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 0.385 21.957 10.706 1.00 0.00 H new ATOM 191 N GLU A 13 -0.290 18.674 16.825 1.00 0.00 N ATOM 192 CA GLU A 13 0.751 18.520 17.827 1.00 0.00 C ATOM 193 C GLU A 13 0.828 17.064 18.292 1.00 0.00 C ATOM 194 O GLU A 13 1.734 16.330 17.899 1.00 0.00 O ATOM 195 CB GLU A 13 0.517 19.461 19.010 1.00 0.00 C ATOM 196 CG GLU A 13 1.843 19.986 19.564 1.00 0.00 C ATOM 197 CD GLU A 13 2.042 19.548 21.016 1.00 0.00 C ATOM 198 OE1 GLU A 13 2.421 18.373 21.208 1.00 0.00 O ATOM 199 OE2 GLU A 13 1.810 20.399 21.902 1.00 0.00 O ATOM 0 H GLU A 13 -0.919 19.462 16.981 1.00 0.00 H new ATOM 0 HA GLU A 13 1.706 18.788 17.375 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -0.107 20.298 18.696 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.027 18.936 19.795 1.00 0.00 H new ATOM 0 HG2 GLU A 13 2.668 19.618 18.953 1.00 0.00 H new ATOM 0 HG3 GLU A 13 1.862 21.074 19.503 1.00 0.00 H new ATOM 206 N GLU A 14 -0.134 16.690 19.122 1.00 0.00 N ATOM 207 CA GLU A 14 -0.186 15.335 19.645 1.00 0.00 C ATOM 208 C GLU A 14 -0.113 14.321 18.501 1.00 0.00 C ATOM 209 O GLU A 14 0.533 13.283 18.628 1.00 0.00 O ATOM 210 CB GLU A 14 -1.445 15.121 20.488 1.00 0.00 C ATOM 211 CG GLU A 14 -1.475 16.078 21.681 1.00 0.00 C ATOM 212 CD GLU A 14 -2.235 17.360 21.336 1.00 0.00 C ATOM 213 OE1 GLU A 14 -3.074 17.291 20.412 1.00 0.00 O ATOM 214 OE2 GLU A 14 -1.961 18.380 22.005 1.00 0.00 O ATOM 0 H GLU A 14 -0.884 17.301 19.445 1.00 0.00 H new ATOM 0 HA GLU A 14 0.676 15.183 20.294 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.330 15.275 19.871 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -1.479 14.091 20.843 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -1.948 15.589 22.533 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.456 16.324 21.980 1.00 0.00 H new ATOM 221 N ASP A 15 -0.786 14.659 17.411 1.00 0.00 N ATOM 222 CA ASP A 15 -0.806 13.791 16.245 1.00 0.00 C ATOM 223 C ASP A 15 0.607 13.690 15.666 1.00 0.00 C ATOM 224 O ASP A 15 0.947 12.701 15.019 1.00 0.00 O ATOM 225 CB ASP A 15 -1.724 14.351 15.157 1.00 0.00 C ATOM 226 CG ASP A 15 -3.185 14.531 15.574 1.00 0.00 C ATOM 227 OD1 ASP A 15 -3.688 13.632 16.282 1.00 0.00 O ATOM 228 OD2 ASP A 15 -3.767 15.563 15.174 1.00 0.00 O ATOM 0 H ASP A 15 -1.321 15.521 17.310 1.00 0.00 H new ATOM 0 HA ASP A 15 -1.173 12.814 16.558 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -1.333 15.315 14.833 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -1.687 13.686 14.294 1.00 0.00 H new ATOM 233 N GLN A 16 1.391 14.727 15.920 1.00 0.00 N ATOM 234 CA GLN A 16 2.759 14.767 15.431 1.00 0.00 C ATOM 235 C GLN A 16 3.589 13.660 16.084 1.00 0.00 C ATOM 236 O GLN A 16 4.485 13.099 15.456 1.00 0.00 O ATOM 237 CB GLN A 16 3.389 16.140 15.676 1.00 0.00 C ATOM 238 CG GLN A 16 4.089 16.187 17.036 1.00 0.00 C ATOM 239 CD GLN A 16 5.595 15.961 16.885 1.00 0.00 C ATOM 240 OE1 GLN A 16 6.197 16.274 15.871 1.00 0.00 O ATOM 241 NE2 GLN A 16 6.167 15.401 17.947 1.00 0.00 N ATOM 0 H GLN A 16 1.106 15.546 16.458 1.00 0.00 H new ATOM 0 HA GLN A 16 2.744 14.597 14.354 1.00 0.00 H new ATOM 0 HB2 GLN A 16 4.106 16.361 14.886 1.00 0.00 H new ATOM 0 HB3 GLN A 16 2.619 16.910 15.632 1.00 0.00 H new ATOM 0 HG2 GLN A 16 3.908 17.152 17.509 1.00 0.00 H new ATOM 0 HG3 GLN A 16 3.667 15.426 17.693 1.00 0.00 H new ATOM 0 HE21 GLN A 16 5.604 15.164 18.764 1.00 0.00 H new ATOM 0 HE22 GLN A 16 7.169 15.209 17.945 1.00 0.00 H new ATOM 250 N LYS A 17 3.260 13.377 17.336 1.00 0.00 N ATOM 251 CA LYS A 17 3.963 12.347 18.080 1.00 0.00 C ATOM 252 C LYS A 17 3.621 10.976 17.493 1.00 0.00 C ATOM 253 O LYS A 17 4.493 10.118 17.360 1.00 0.00 O ATOM 254 CB LYS A 17 3.663 12.467 19.576 1.00 0.00 C ATOM 255 CG LYS A 17 4.781 11.840 20.411 1.00 0.00 C ATOM 256 CD LYS A 17 4.207 11.040 21.583 1.00 0.00 C ATOM 257 CE LYS A 17 5.053 11.231 22.843 1.00 0.00 C ATOM 258 NZ LYS A 17 4.253 10.941 24.054 1.00 0.00 N ATOM 0 H LYS A 17 2.515 13.844 17.854 1.00 0.00 H new ATOM 0 HA LYS A 17 5.041 12.476 17.983 1.00 0.00 H new ATOM 0 HB2 LYS A 17 3.549 13.517 19.845 1.00 0.00 H new ATOM 0 HB3 LYS A 17 2.717 11.976 19.801 1.00 0.00 H new ATOM 0 HG2 LYS A 17 5.387 11.187 19.783 1.00 0.00 H new ATOM 0 HG3 LYS A 17 5.441 12.622 20.788 1.00 0.00 H new ATOM 0 HD2 LYS A 17 3.182 11.357 21.777 1.00 0.00 H new ATOM 0 HD3 LYS A 17 4.170 9.982 21.322 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.922 10.574 22.808 1.00 0.00 H new ATOM 0 HE3 LYS A 17 5.429 12.253 22.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 4.843 11.076 24.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 3.438 11.585 24.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 3.916 9.958 24.020 1.00 0.00 H new ATOM 272 N VAL A 18 2.350 10.813 17.156 1.00 0.00 N ATOM 273 CA VAL A 18 1.882 9.561 16.585 1.00 0.00 C ATOM 274 C VAL A 18 2.689 9.247 15.324 1.00 0.00 C ATOM 275 O VAL A 18 2.970 8.085 15.035 1.00 0.00 O ATOM 276 CB VAL A 18 0.376 9.634 16.328 1.00 0.00 C ATOM 277 CG1 VAL A 18 -0.024 8.738 15.154 1.00 0.00 C ATOM 278 CG2 VAL A 18 -0.413 9.271 17.588 1.00 0.00 C ATOM 0 H VAL A 18 1.630 11.527 17.267 1.00 0.00 H new ATOM 0 HA VAL A 18 2.040 8.740 17.284 1.00 0.00 H new ATOM 0 HB VAL A 18 0.131 10.663 16.063 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.100 8.808 14.993 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.500 9.061 14.255 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.242 7.705 15.377 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.481 9.331 17.378 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.160 8.257 17.896 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.161 9.967 18.388 1.00 0.00 H new ATOM 288 N ILE A 19 3.040 10.304 14.606 1.00 0.00 N ATOM 289 CA ILE A 19 3.809 10.156 13.382 1.00 0.00 C ATOM 290 C ILE A 19 5.216 9.662 13.726 1.00 0.00 C ATOM 291 O ILE A 19 5.781 8.839 13.008 1.00 0.00 O ATOM 292 CB ILE A 19 3.793 11.458 12.578 1.00 0.00 C ATOM 293 CG1 ILE A 19 2.360 11.945 12.352 1.00 0.00 C ATOM 294 CG2 ILE A 19 4.559 11.300 11.264 1.00 0.00 C ATOM 295 CD1 ILE A 19 1.381 10.770 12.317 1.00 0.00 C ATOM 0 H ILE A 19 2.806 11.267 14.849 1.00 0.00 H new ATOM 0 HA ILE A 19 3.356 9.404 12.736 1.00 0.00 H new ATOM 0 HB ILE A 19 4.306 12.225 13.159 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.077 12.635 13.147 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.304 12.498 11.414 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.532 12.239 10.712 1.00 0.00 H new ATOM 0 HG22 ILE A 19 5.594 11.033 11.476 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.097 10.514 10.666 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.370 11.144 12.155 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.652 10.094 11.506 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.422 10.234 13.265 1.00 0.00 H new ATOM 307 N GLU A 20 5.741 10.187 14.824 1.00 0.00 N ATOM 308 CA GLU A 20 7.071 9.810 15.271 1.00 0.00 C ATOM 309 C GLU A 20 7.078 8.356 15.747 1.00 0.00 C ATOM 310 O GLU A 20 8.130 7.719 15.791 1.00 0.00 O ATOM 311 CB GLU A 20 7.565 10.750 16.372 1.00 0.00 C ATOM 312 CG GLU A 20 8.475 11.838 15.797 1.00 0.00 C ATOM 313 CD GLU A 20 7.966 13.232 16.172 1.00 0.00 C ATOM 314 OE1 GLU A 20 6.880 13.593 15.670 1.00 0.00 O ATOM 315 OE2 GLU A 20 8.676 13.904 16.951 1.00 0.00 O ATOM 0 H GLU A 20 5.269 10.870 15.417 1.00 0.00 H new ATOM 0 HA GLU A 20 7.756 9.899 14.428 1.00 0.00 H new ATOM 0 HB2 GLU A 20 6.713 11.210 16.872 1.00 0.00 H new ATOM 0 HB3 GLU A 20 8.106 10.179 17.126 1.00 0.00 H new ATOM 0 HG2 GLU A 20 9.490 11.704 16.172 1.00 0.00 H new ATOM 0 HG3 GLU A 20 8.521 11.743 14.712 1.00 0.00 H new ATOM 322 N LEU A 21 5.894 7.873 16.091 1.00 0.00 N ATOM 323 CA LEU A 21 5.751 6.506 16.561 1.00 0.00 C ATOM 324 C LEU A 21 5.694 5.560 15.359 1.00 0.00 C ATOM 325 O LEU A 21 6.603 4.758 15.153 1.00 0.00 O ATOM 326 CB LEU A 21 4.546 6.384 17.496 1.00 0.00 C ATOM 327 CG LEU A 21 4.817 6.654 18.978 1.00 0.00 C ATOM 328 CD1 LEU A 21 3.573 7.216 19.669 1.00 0.00 C ATOM 329 CD2 LEU A 21 5.342 5.398 19.677 1.00 0.00 C ATOM 0 H LEU A 21 5.024 8.404 16.054 1.00 0.00 H new ATOM 0 HA LEU A 21 6.618 6.216 17.155 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.776 7.076 17.156 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.136 5.379 17.399 1.00 0.00 H new ATOM 0 HG LEU A 21 5.596 7.413 19.050 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.792 7.399 20.721 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.283 8.151 19.191 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.756 6.498 19.588 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.526 5.617 20.729 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.603 4.601 19.597 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.271 5.080 19.204 1.00 0.00 H new ATOM 341 N VAL A 22 4.618 5.687 14.598 1.00 0.00 N ATOM 342 CA VAL A 22 4.431 4.854 13.422 1.00 0.00 C ATOM 343 C VAL A 22 5.699 4.894 12.567 1.00 0.00 C ATOM 344 O VAL A 22 5.943 3.990 11.769 1.00 0.00 O ATOM 345 CB VAL A 22 3.182 5.298 12.659 1.00 0.00 C ATOM 346 CG1 VAL A 22 2.982 4.457 11.396 1.00 0.00 C ATOM 347 CG2 VAL A 22 1.943 5.244 13.555 1.00 0.00 C ATOM 0 H VAL A 22 3.866 6.354 14.772 1.00 0.00 H new ATOM 0 HA VAL A 22 4.267 3.816 13.712 1.00 0.00 H new ATOM 0 HB VAL A 22 3.329 6.334 12.352 1.00 0.00 H new ATOM 0 HG11 VAL A 22 2.087 4.794 10.873 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.848 4.569 10.743 1.00 0.00 H new ATOM 0 HG13 VAL A 22 2.868 3.408 11.671 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.069 5.565 12.988 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.793 4.223 13.907 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.083 5.905 14.410 1.00 0.00 H new ATOM 357 N LYS A 23 6.474 5.950 12.764 1.00 0.00 N ATOM 358 CA LYS A 23 7.712 6.119 12.021 1.00 0.00 C ATOM 359 C LYS A 23 8.745 5.109 12.523 1.00 0.00 C ATOM 360 O LYS A 23 9.209 4.261 11.763 1.00 0.00 O ATOM 361 CB LYS A 23 8.186 7.572 12.095 1.00 0.00 C ATOM 362 CG LYS A 23 7.723 8.363 10.870 1.00 0.00 C ATOM 363 CD LYS A 23 8.898 9.082 10.204 1.00 0.00 C ATOM 364 CE LYS A 23 8.405 10.173 9.253 1.00 0.00 C ATOM 365 NZ LYS A 23 7.992 11.375 10.012 1.00 0.00 N ATOM 0 H LYS A 23 6.269 6.697 13.427 1.00 0.00 H new ATOM 0 HA LYS A 23 7.553 5.913 10.963 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.799 8.039 13.001 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.274 7.601 12.161 1.00 0.00 H new ATOM 0 HG2 LYS A 23 7.252 7.689 10.154 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.968 9.091 11.167 1.00 0.00 H new ATOM 0 HD2 LYS A 23 9.539 9.523 10.967 1.00 0.00 H new ATOM 0 HD3 LYS A 23 9.505 8.363 9.654 1.00 0.00 H new ATOM 0 HE2 LYS A 23 9.195 10.434 8.549 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.566 9.800 8.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.180 11.821 9.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.723 11.100 10.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.783 12.049 10.051 1.00 0.00 H new ATOM 379 N LYS A 24 9.075 5.233 13.800 1.00 0.00 N ATOM 380 CA LYS A 24 10.045 4.341 14.413 1.00 0.00 C ATOM 381 C LYS A 24 9.495 2.913 14.404 1.00 0.00 C ATOM 382 O LYS A 24 10.255 1.950 14.499 1.00 0.00 O ATOM 383 CB LYS A 24 10.430 4.843 15.806 1.00 0.00 C ATOM 384 CG LYS A 24 11.830 4.361 16.194 1.00 0.00 C ATOM 385 CD LYS A 24 11.788 3.541 17.485 1.00 0.00 C ATOM 386 CE LYS A 24 11.011 2.239 17.282 1.00 0.00 C ATOM 387 NZ LYS A 24 11.811 1.275 16.494 1.00 0.00 N ATOM 0 H LYS A 24 8.688 5.938 14.427 1.00 0.00 H new ATOM 0 HA LYS A 24 10.970 4.331 13.837 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.398 5.932 15.826 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.704 4.489 16.538 1.00 0.00 H new ATOM 0 HG2 LYS A 24 12.247 3.757 15.388 1.00 0.00 H new ATOM 0 HG3 LYS A 24 12.491 5.218 16.324 1.00 0.00 H new ATOM 0 HD2 LYS A 24 12.804 3.316 17.810 1.00 0.00 H new ATOM 0 HD3 LYS A 24 11.322 4.127 18.277 1.00 0.00 H new ATOM 0 HE2 LYS A 24 10.758 1.805 18.249 1.00 0.00 H new ATOM 0 HE3 LYS A 24 10.071 2.446 16.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 11.583 0.306 16.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 11.590 1.384 15.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 12.823 1.456 16.648 1.00 0.00 H new ATOM 401 N TYR A 25 8.178 2.821 14.288 1.00 0.00 N ATOM 402 CA TYR A 25 7.518 1.527 14.266 1.00 0.00 C ATOM 403 C TYR A 25 7.503 0.943 12.852 1.00 0.00 C ATOM 404 O TYR A 25 8.067 -0.123 12.611 1.00 0.00 O ATOM 405 CB TYR A 25 6.077 1.781 14.714 1.00 0.00 C ATOM 406 CG TYR A 25 5.900 1.841 16.233 1.00 0.00 C ATOM 407 CD1 TYR A 25 6.903 2.361 17.025 1.00 0.00 C ATOM 408 CD2 TYR A 25 4.736 1.374 16.811 1.00 0.00 C ATOM 409 CE1 TYR A 25 6.736 2.418 18.454 1.00 0.00 C ATOM 410 CE2 TYR A 25 4.569 1.431 18.240 1.00 0.00 C ATOM 411 CZ TYR A 25 5.577 1.950 18.991 1.00 0.00 C ATOM 412 OH TYR A 25 5.420 2.003 20.341 1.00 0.00 O ATOM 0 H TYR A 25 7.551 3.621 14.208 1.00 0.00 H new ATOM 0 HA TYR A 25 8.039 0.820 14.912 1.00 0.00 H new ATOM 0 HB2 TYR A 25 5.733 2.720 14.281 1.00 0.00 H new ATOM 0 HB3 TYR A 25 5.439 0.993 14.315 1.00 0.00 H new ATOM 0 HD1 TYR A 25 7.814 2.725 16.573 1.00 0.00 H new ATOM 0 HD2 TYR A 25 3.951 0.966 16.191 1.00 0.00 H new ATOM 0 HE1 TYR A 25 7.513 2.823 19.085 1.00 0.00 H new ATOM 0 HE2 TYR A 25 3.664 1.070 18.705 1.00 0.00 H new ATOM 0 HH TYR A 25 4.544 1.636 20.583 1.00 0.00 H new ATOM 422 N GLY A 26 6.853 1.668 11.953 1.00 0.00 N ATOM 423 CA GLY A 26 6.757 1.235 10.569 1.00 0.00 C ATOM 424 C GLY A 26 6.701 -0.291 10.475 1.00 0.00 C ATOM 425 O GLY A 26 7.733 -0.958 10.528 1.00 0.00 O ATOM 0 H GLY A 26 6.388 2.553 12.156 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.866 1.664 10.111 1.00 0.00 H new ATOM 0 HA3 GLY A 26 7.614 1.606 10.008 1.00 0.00 H new ATOM 429 N THR A 27 5.485 -0.799 10.337 1.00 0.00 N ATOM 430 CA THR A 27 5.281 -2.234 10.234 1.00 0.00 C ATOM 431 C THR A 27 3.792 -2.552 10.086 1.00 0.00 C ATOM 432 O THR A 27 3.359 -3.043 9.045 1.00 0.00 O ATOM 433 CB THR A 27 5.924 -2.892 11.457 1.00 0.00 C ATOM 434 OG1 THR A 27 5.211 -4.116 11.608 1.00 0.00 O ATOM 435 CG2 THR A 27 5.634 -2.130 12.752 1.00 0.00 C ATOM 0 H THR A 27 4.631 -0.243 10.294 1.00 0.00 H new ATOM 0 HA THR A 27 5.758 -2.638 9.341 1.00 0.00 H new ATOM 0 HB THR A 27 7.002 -2.959 11.308 1.00 0.00 H new ATOM 0 HG1 THR A 27 5.565 -4.608 12.378 1.00 0.00 H new ATOM 0 HG21 THR A 27 6.113 -2.639 13.589 1.00 0.00 H new ATOM 0 HG22 THR A 27 6.025 -1.116 12.673 1.00 0.00 H new ATOM 0 HG23 THR A 27 4.557 -2.092 12.919 1.00 0.00 H new ATOM 443 N LYS A 28 3.049 -2.258 11.143 1.00 0.00 N ATOM 444 CA LYS A 28 1.617 -2.506 11.144 1.00 0.00 C ATOM 445 C LYS A 28 1.052 -2.202 12.532 1.00 0.00 C ATOM 446 O LYS A 28 0.271 -2.983 13.073 1.00 0.00 O ATOM 447 CB LYS A 28 1.319 -3.925 10.656 1.00 0.00 C ATOM 448 CG LYS A 28 0.088 -3.945 9.747 1.00 0.00 C ATOM 449 CD LYS A 28 0.301 -3.061 8.517 1.00 0.00 C ATOM 450 CE LYS A 28 -0.802 -2.007 8.402 1.00 0.00 C ATOM 451 NZ LYS A 28 -1.548 -2.172 7.134 1.00 0.00 N ATOM 0 H LYS A 28 3.412 -1.850 12.005 1.00 0.00 H new ATOM 0 HA LYS A 28 1.115 -1.840 10.442 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.181 -4.316 10.116 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.155 -4.581 11.511 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.120 -4.968 9.433 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.784 -3.599 10.302 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.272 -2.571 8.581 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.314 -3.678 7.619 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.485 -2.094 9.247 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.366 -1.009 8.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.293 -1.449 7.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.896 -2.066 6.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.981 -3.117 7.106 1.00 0.00 H new ATOM 465 N GLN A 29 1.469 -1.065 13.070 1.00 0.00 N ATOM 466 CA GLN A 29 1.014 -0.648 14.385 1.00 0.00 C ATOM 467 C GLN A 29 0.168 0.622 14.276 1.00 0.00 C ATOM 468 O GLN A 29 0.706 1.725 14.186 1.00 0.00 O ATOM 469 CB GLN A 29 2.196 -0.439 15.334 1.00 0.00 C ATOM 470 CG GLN A 29 2.542 -1.734 16.072 1.00 0.00 C ATOM 471 CD GLN A 29 3.569 -1.478 17.177 1.00 0.00 C ATOM 472 OE1 GLN A 29 3.250 -1.025 18.263 1.00 0.00 O ATOM 473 NE2 GLN A 29 4.816 -1.793 16.839 1.00 0.00 N ATOM 0 H GLN A 29 2.117 -0.420 12.619 1.00 0.00 H new ATOM 0 HA GLN A 29 0.392 -1.441 14.801 1.00 0.00 H new ATOM 0 HB2 GLN A 29 3.063 -0.095 14.770 1.00 0.00 H new ATOM 0 HB3 GLN A 29 1.954 0.342 16.055 1.00 0.00 H new ATOM 0 HG2 GLN A 29 1.638 -2.164 16.503 1.00 0.00 H new ATOM 0 HG3 GLN A 29 2.937 -2.465 15.366 1.00 0.00 H new ATOM 0 HE21 GLN A 29 5.014 -2.169 15.911 1.00 0.00 H new ATOM 0 HE22 GLN A 29 5.575 -1.659 17.507 1.00 0.00 H new ATOM 482 N TRP A 30 -1.142 0.425 14.288 1.00 0.00 N ATOM 483 CA TRP A 30 -2.068 1.541 14.192 1.00 0.00 C ATOM 484 C TRP A 30 -2.782 1.681 15.538 1.00 0.00 C ATOM 485 O TRP A 30 -3.468 2.672 15.781 1.00 0.00 O ATOM 486 CB TRP A 30 -3.032 1.354 13.019 1.00 0.00 C ATOM 487 CG TRP A 30 -2.485 1.846 11.678 1.00 0.00 C ATOM 488 CD1 TRP A 30 -2.089 1.112 10.629 1.00 0.00 C ATOM 489 CD2 TRP A 30 -2.288 3.220 11.282 1.00 0.00 C ATOM 490 NE1 TRP A 30 -1.653 1.909 9.590 1.00 0.00 N ATOM 491 CE2 TRP A 30 -1.778 3.231 10.000 1.00 0.00 C ATOM 492 CE3 TRP A 30 -2.533 4.413 11.983 1.00 0.00 C ATOM 493 CZ2 TRP A 30 -1.469 4.409 9.308 1.00 0.00 C ATOM 494 CZ3 TRP A 30 -2.219 5.581 11.278 1.00 0.00 C ATOM 495 CH2 TRP A 30 -1.705 5.610 9.987 1.00 0.00 C ATOM 0 H TRP A 30 -1.584 -0.491 14.363 1.00 0.00 H new ATOM 0 HA TRP A 30 -1.534 2.468 13.984 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -3.281 0.296 12.932 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -3.960 1.883 13.237 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -2.109 0.033 10.600 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -1.303 1.587 8.687 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -2.932 4.428 12.986 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -1.070 4.392 8.305 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -2.388 6.526 11.772 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -1.489 6.555 9.510 1.00 0.00 H new ATOM 506 N THR A 31 -2.597 0.672 16.377 1.00 0.00 N ATOM 507 CA THR A 31 -3.215 0.670 17.692 1.00 0.00 C ATOM 508 C THR A 31 -2.591 1.751 18.577 1.00 0.00 C ATOM 509 O THR A 31 -3.289 2.405 19.350 1.00 0.00 O ATOM 510 CB THR A 31 -3.086 -0.740 18.272 1.00 0.00 C ATOM 511 OG1 THR A 31 -4.432 -1.139 18.517 1.00 0.00 O ATOM 512 CG2 THR A 31 -2.438 -0.745 19.658 1.00 0.00 C ATOM 0 H THR A 31 -2.028 -0.149 16.172 1.00 0.00 H new ATOM 0 HA THR A 31 -4.275 0.917 17.631 1.00 0.00 H new ATOM 0 HB THR A 31 -2.499 -1.359 17.594 1.00 0.00 H new ATOM 0 HG1 THR A 31 -4.442 -2.044 18.893 1.00 0.00 H new ATOM 0 HG21 THR A 31 -2.370 -1.769 20.024 1.00 0.00 H new ATOM 0 HG22 THR A 31 -1.438 -0.316 19.594 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.043 -0.154 20.345 1.00 0.00 H new ATOM 520 N LEU A 32 -1.283 1.905 18.434 1.00 0.00 N ATOM 521 CA LEU A 32 -0.557 2.895 19.210 1.00 0.00 C ATOM 522 C LEU A 32 -1.205 4.267 19.013 1.00 0.00 C ATOM 523 O LEU A 32 -1.576 4.927 19.983 1.00 0.00 O ATOM 524 CB LEU A 32 0.932 2.863 18.861 1.00 0.00 C ATOM 525 CG LEU A 32 1.373 3.779 17.717 1.00 0.00 C ATOM 526 CD1 LEU A 32 1.299 5.250 18.133 1.00 0.00 C ATOM 527 CD2 LEU A 32 2.766 3.395 17.213 1.00 0.00 C ATOM 0 H LEU A 32 -0.707 1.360 17.792 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.617 2.663 20.273 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.500 3.129 19.753 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.203 1.839 18.605 1.00 0.00 H new ATOM 0 HG LEU A 32 0.681 3.644 16.885 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.618 5.880 17.302 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.274 5.500 18.405 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.953 5.420 18.988 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.055 4.061 16.400 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.485 3.483 18.028 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.751 2.367 16.851 1.00 0.00 H new ATOM 539 N ILE A 33 -1.322 4.655 17.752 1.00 0.00 N ATOM 540 CA ILE A 33 -1.919 5.937 17.416 1.00 0.00 C ATOM 541 C ILE A 33 -3.135 6.179 18.313 1.00 0.00 C ATOM 542 O ILE A 33 -3.076 6.986 19.239 1.00 0.00 O ATOM 543 CB ILE A 33 -2.236 6.004 15.920 1.00 0.00 C ATOM 544 CG1 ILE A 33 -0.955 5.941 15.085 1.00 0.00 C ATOM 545 CG2 ILE A 33 -3.074 7.242 15.592 1.00 0.00 C ATOM 546 CD1 ILE A 33 -0.601 4.495 14.732 1.00 0.00 C ATOM 0 H ILE A 33 -1.014 4.105 16.950 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.215 6.747 17.607 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.834 5.132 15.658 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.083 6.521 14.171 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.133 6.396 15.638 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.285 7.266 14.523 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.012 7.204 16.146 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.523 8.139 15.873 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.313 4.479 14.139 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.449 3.924 15.648 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.414 4.051 14.158 1.00 0.00 H new ATOM 558 N ALA A 34 -4.208 5.465 18.006 1.00 0.00 N ATOM 559 CA ALA A 34 -5.436 5.593 18.773 1.00 0.00 C ATOM 560 C ALA A 34 -5.127 5.394 20.259 1.00 0.00 C ATOM 561 O ALA A 34 -5.379 6.281 21.073 1.00 0.00 O ATOM 562 CB ALA A 34 -6.469 4.591 18.254 1.00 0.00 C ATOM 0 H ALA A 34 -4.253 4.796 17.237 1.00 0.00 H new ATOM 0 HA ALA A 34 -5.860 6.590 18.654 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -7.390 4.687 18.829 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -6.675 4.792 17.203 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -6.079 3.579 18.360 1.00 0.00 H new ATOM 568 N LYS A 35 -4.585 4.225 20.567 1.00 0.00 N ATOM 569 CA LYS A 35 -4.239 3.899 21.940 1.00 0.00 C ATOM 570 C LYS A 35 -3.488 5.076 22.565 1.00 0.00 C ATOM 571 O LYS A 35 -3.528 5.268 23.779 1.00 0.00 O ATOM 572 CB LYS A 35 -3.470 2.578 21.999 1.00 0.00 C ATOM 573 CG LYS A 35 -3.400 2.048 23.433 1.00 0.00 C ATOM 574 CD LYS A 35 -1.949 1.823 23.863 1.00 0.00 C ATOM 575 CE LYS A 35 -1.413 3.029 24.637 1.00 0.00 C ATOM 576 NZ LYS A 35 -2.186 3.229 25.884 1.00 0.00 N ATOM 0 H LYS A 35 -4.377 3.492 19.889 1.00 0.00 H new ATOM 0 HA LYS A 35 -5.140 3.744 22.534 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.955 1.842 21.359 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.462 2.722 21.611 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.878 2.756 24.110 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.954 1.112 23.506 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.884 0.930 24.484 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.329 1.646 22.984 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.360 2.877 24.875 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -1.474 3.923 24.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.577 3.670 26.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -3.000 3.847 25.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -2.524 2.310 26.234 1.00 0.00 H new ATOM 590 N HIS A 36 -2.819 5.833 21.707 1.00 0.00 N ATOM 591 CA HIS A 36 -2.060 6.986 22.160 1.00 0.00 C ATOM 592 C HIS A 36 -2.987 8.197 22.279 1.00 0.00 C ATOM 593 O HIS A 36 -3.240 8.685 23.380 1.00 0.00 O ATOM 594 CB HIS A 36 -0.863 7.243 21.243 1.00 0.00 C ATOM 595 CG HIS A 36 0.359 6.423 21.582 1.00 0.00 C ATOM 596 ND1 HIS A 36 0.532 5.073 21.661 1.00 0.00 N flip ATOM 597 CD2 HIS A 36 1.582 6.993 21.889 1.00 0.00 C flip ATOM 598 CE1 HIS A 36 1.793 4.830 21.996 1.00 0.00 C flip ATOM 599 NE2 HIS A 36 2.446 6.020 22.139 1.00 0.00 N flip ATOM 0 H HIS A 36 -2.787 5.670 20.701 1.00 0.00 H new ATOM 0 HA HIS A 36 -1.649 6.789 23.150 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -1.155 7.032 20.214 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -0.603 8.300 21.290 1.00 0.00 H new ATOM 0 HD1 HIS A 36 -0.186 4.369 21.491 1.00 0.00 H new ATOM 0 HD2 HIS A 36 1.796 8.051 21.920 1.00 0.00 H new ATOM 0 HE1 HIS A 36 2.230 3.852 22.133 1.00 0.00 H new ATOM 607 N LEU A 37 -3.470 8.647 21.130 1.00 0.00 N ATOM 608 CA LEU A 37 -4.364 9.792 21.091 1.00 0.00 C ATOM 609 C LEU A 37 -5.808 9.310 21.238 1.00 0.00 C ATOM 610 O LEU A 37 -6.434 8.904 20.260 1.00 0.00 O ATOM 611 CB LEU A 37 -4.117 10.621 19.829 1.00 0.00 C ATOM 612 CG LEU A 37 -2.729 10.489 19.200 1.00 0.00 C ATOM 613 CD1 LEU A 37 -2.516 11.545 18.113 1.00 0.00 C ATOM 614 CD2 LEU A 37 -1.635 10.538 20.269 1.00 0.00 C ATOM 0 H LEU A 37 -3.259 8.239 20.219 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.164 10.461 21.928 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.860 10.340 19.083 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.287 11.671 20.069 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.665 9.514 18.718 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.521 11.429 17.682 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.266 11.420 17.332 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.608 12.540 18.549 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.658 10.442 19.795 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.688 11.488 20.801 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.778 9.719 20.974 1.00 0.00 H new ATOM 626 N LYS A 38 -6.297 9.372 22.468 1.00 0.00 N ATOM 627 CA LYS A 38 -7.656 8.947 22.756 1.00 0.00 C ATOM 628 C LYS A 38 -8.602 10.139 22.599 1.00 0.00 C ATOM 629 O LYS A 38 -9.567 10.274 23.350 1.00 0.00 O ATOM 630 CB LYS A 38 -7.730 8.280 24.131 1.00 0.00 C ATOM 631 CG LYS A 38 -7.369 9.270 25.240 1.00 0.00 C ATOM 632 CD LYS A 38 -8.608 10.026 25.725 1.00 0.00 C ATOM 633 CE LYS A 38 -8.615 10.146 27.250 1.00 0.00 C ATOM 634 NZ LYS A 38 -9.920 9.714 27.798 1.00 0.00 N ATOM 0 H LYS A 38 -5.776 9.710 23.277 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.977 8.188 22.042 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -8.735 7.892 24.298 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -7.050 7.428 24.163 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -6.914 8.737 26.075 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.627 9.979 24.872 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.630 11.020 25.278 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -9.508 9.508 25.393 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.817 9.536 27.672 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.415 11.177 27.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.908 9.802 28.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -10.676 10.313 27.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -10.095 8.723 27.537 1.00 0.00 H new ATOM 648 N GLY A 39 -8.293 10.975 21.618 1.00 0.00 N ATOM 649 CA GLY A 39 -9.103 12.151 21.354 1.00 0.00 C ATOM 650 C GLY A 39 -10.015 11.929 20.145 1.00 0.00 C ATOM 651 O GLY A 39 -10.880 12.753 19.855 1.00 0.00 O ATOM 0 H GLY A 39 -7.492 10.860 20.997 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -9.706 12.386 22.231 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.456 13.009 21.173 1.00 0.00 H new ATOM 655 N ARG A 40 -9.789 10.809 19.472 1.00 0.00 N ATOM 656 CA ARG A 40 -10.579 10.468 18.302 1.00 0.00 C ATOM 657 C ARG A 40 -10.398 8.990 17.952 1.00 0.00 C ATOM 658 O ARG A 40 -9.412 8.371 18.348 1.00 0.00 O ATOM 659 CB ARG A 40 -10.178 11.323 17.098 1.00 0.00 C ATOM 660 CG ARG A 40 -11.127 12.510 16.928 1.00 0.00 C ATOM 661 CD ARG A 40 -12.044 12.311 15.719 1.00 0.00 C ATOM 662 NE ARG A 40 -11.870 13.426 14.762 1.00 0.00 N ATOM 663 CZ ARG A 40 -12.151 14.706 15.041 1.00 0.00 C ATOM 664 NH1 ARG A 40 -12.621 15.041 16.251 1.00 0.00 N ATOM 665 NH2 ARG A 40 -11.962 15.652 14.111 1.00 0.00 N ATOM 0 H ARG A 40 -9.070 10.127 19.715 1.00 0.00 H new ATOM 0 HA ARG A 40 -11.625 10.663 18.540 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.158 11.684 17.228 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -10.188 10.713 16.195 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -11.728 12.631 17.829 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -10.550 13.426 16.804 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -11.816 11.363 15.231 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -13.083 12.259 16.045 1.00 0.00 H new ATOM 0 HE ARG A 40 -11.514 13.206 13.832 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -12.765 14.321 16.959 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -12.835 16.016 16.463 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -11.604 15.398 13.190 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -12.176 16.626 14.324 1.00 0.00 H new ATOM 679 N LEU A 41 -11.365 8.466 17.213 1.00 0.00 N ATOM 680 CA LEU A 41 -11.325 7.072 16.805 1.00 0.00 C ATOM 681 C LEU A 41 -10.237 6.886 15.746 1.00 0.00 C ATOM 682 O LEU A 41 -9.946 7.806 14.982 1.00 0.00 O ATOM 683 CB LEU A 41 -12.710 6.606 16.352 1.00 0.00 C ATOM 684 CG LEU A 41 -13.595 5.984 17.434 1.00 0.00 C ATOM 685 CD1 LEU A 41 -13.126 4.569 17.780 1.00 0.00 C ATOM 686 CD2 LEU A 41 -13.664 6.883 18.670 1.00 0.00 C ATOM 0 H LEU A 41 -12.182 8.982 16.886 1.00 0.00 H new ATOM 0 HA LEU A 41 -11.061 6.436 17.650 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -13.237 7.459 15.925 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -12.583 5.877 15.551 1.00 0.00 H new ATOM 0 HG LEU A 41 -14.608 5.900 17.040 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -13.772 4.150 18.551 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -13.171 3.943 16.889 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -12.100 4.605 18.146 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -14.299 6.417 19.424 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -12.662 7.021 19.076 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -14.080 7.852 18.393 1.00 0.00 H new ATOM 698 N GLY A 42 -9.665 5.691 15.734 1.00 0.00 N ATOM 699 CA GLY A 42 -8.615 5.373 14.781 1.00 0.00 C ATOM 700 C GLY A 42 -9.206 4.853 13.469 1.00 0.00 C ATOM 701 O GLY A 42 -8.794 3.807 12.971 1.00 0.00 O ATOM 0 H GLY A 42 -9.909 4.931 16.369 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.014 6.261 14.587 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.948 4.623 15.206 1.00 0.00 H new ATOM 705 N LYS A 43 -10.161 5.609 12.946 1.00 0.00 N ATOM 706 CA LYS A 43 -10.811 5.237 11.701 1.00 0.00 C ATOM 707 C LYS A 43 -10.130 5.961 10.539 1.00 0.00 C ATOM 708 O LYS A 43 -9.623 5.323 9.617 1.00 0.00 O ATOM 709 CB LYS A 43 -12.317 5.493 11.787 1.00 0.00 C ATOM 710 CG LYS A 43 -12.983 5.313 10.421 1.00 0.00 C ATOM 711 CD LYS A 43 -14.460 5.708 10.474 1.00 0.00 C ATOM 712 CE LYS A 43 -15.337 4.638 9.821 1.00 0.00 C ATOM 713 NZ LYS A 43 -16.755 4.827 10.202 1.00 0.00 N ATOM 0 H LYS A 43 -10.500 6.477 13.362 1.00 0.00 H new ATOM 0 HA LYS A 43 -10.702 4.168 11.518 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -12.765 4.808 12.507 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -12.497 6.504 12.153 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -12.467 5.921 9.678 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -12.892 4.275 10.102 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -14.765 5.851 11.511 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -14.604 6.661 9.965 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -15.236 4.688 8.737 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -15.001 3.647 10.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -17.337 4.093 9.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -16.849 4.756 11.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -17.077 5.765 9.888 1.00 0.00 H new ATOM 727 N GLN A 44 -10.138 7.284 10.620 1.00 0.00 N ATOM 728 CA GLN A 44 -9.527 8.101 9.586 1.00 0.00 C ATOM 729 C GLN A 44 -8.002 8.010 9.670 1.00 0.00 C ATOM 730 O GLN A 44 -7.325 9.021 9.846 1.00 0.00 O ATOM 731 CB GLN A 44 -9.996 9.554 9.688 1.00 0.00 C ATOM 732 CG GLN A 44 -10.372 10.106 8.311 1.00 0.00 C ATOM 733 CD GLN A 44 -10.629 11.613 8.376 1.00 0.00 C ATOM 734 OE1 GLN A 44 -11.325 12.114 9.245 1.00 0.00 O ATOM 735 NE2 GLN A 44 -10.029 12.306 7.412 1.00 0.00 N ATOM 0 H GLN A 44 -10.558 7.810 11.386 1.00 0.00 H new ATOM 0 HA GLN A 44 -9.841 7.719 8.615 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -10.855 9.617 10.356 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -9.207 10.165 10.126 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -9.570 9.900 7.602 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -11.263 9.597 7.942 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -9.460 11.824 6.716 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -10.138 13.319 7.369 1.00 0.00 H new ATOM 744 N CYS A 45 -7.506 6.788 9.539 1.00 0.00 N ATOM 745 CA CYS A 45 -6.074 6.552 9.597 1.00 0.00 C ATOM 746 C CYS A 45 -5.608 6.081 8.218 1.00 0.00 C ATOM 747 O CYS A 45 -6.379 6.096 7.259 1.00 0.00 O ATOM 748 CB CYS A 45 -5.710 5.550 10.694 1.00 0.00 C ATOM 749 SG CYS A 45 -6.436 6.078 12.289 1.00 0.00 S ATOM 0 H CYS A 45 -8.071 5.951 9.393 1.00 0.00 H new ATOM 0 HA CYS A 45 -5.561 7.478 9.856 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -6.077 4.558 10.429 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -4.626 5.475 10.785 1.00 0.00 H new ATOM 0 HG CYS A 45 -6.123 5.219 13.214 1.00 0.00 H new ATOM 755 N ARG A 46 -4.349 5.674 8.161 1.00 0.00 N ATOM 756 CA ARG A 46 -3.771 5.200 6.914 1.00 0.00 C ATOM 757 C ARG A 46 -4.343 5.985 5.732 1.00 0.00 C ATOM 758 O ARG A 46 -4.980 5.410 4.851 1.00 0.00 O ATOM 759 CB ARG A 46 -4.049 3.709 6.710 1.00 0.00 C ATOM 760 CG ARG A 46 -5.122 3.214 7.682 1.00 0.00 C ATOM 761 CD ARG A 46 -5.471 1.748 7.413 1.00 0.00 C ATOM 762 NE ARG A 46 -6.938 1.560 7.460 1.00 0.00 N ATOM 763 CZ ARG A 46 -7.780 1.983 6.507 1.00 0.00 C ATOM 764 NH1 ARG A 46 -7.306 2.620 5.428 1.00 0.00 N ATOM 765 NH2 ARG A 46 -9.097 1.768 6.634 1.00 0.00 N ATOM 0 H ARG A 46 -3.712 5.662 8.958 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.693 5.353 6.969 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -4.373 3.533 5.684 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -3.130 3.141 6.856 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -4.769 3.325 8.707 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -6.017 3.828 7.585 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -5.089 1.448 6.437 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -4.990 1.109 8.154 1.00 0.00 H new ATOM 0 HE ARG A 46 -7.333 1.079 8.268 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -6.304 2.783 5.331 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -7.947 2.942 4.703 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -9.458 1.283 7.456 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -9.738 2.090 5.909 1.00 0.00 H new ATOM 779 N GLU A 47 -4.093 7.286 5.751 1.00 0.00 N ATOM 780 CA GLU A 47 -4.575 8.156 4.691 1.00 0.00 C ATOM 781 C GLU A 47 -3.689 9.398 4.580 1.00 0.00 C ATOM 782 O GLU A 47 -3.561 10.161 5.536 1.00 0.00 O ATOM 783 CB GLU A 47 -6.037 8.543 4.922 1.00 0.00 C ATOM 784 CG GLU A 47 -6.948 7.890 3.881 1.00 0.00 C ATOM 785 CD GLU A 47 -8.284 8.631 3.780 1.00 0.00 C ATOM 786 OE1 GLU A 47 -8.826 8.973 4.853 1.00 0.00 O ATOM 787 OE2 GLU A 47 -8.732 8.838 2.632 1.00 0.00 O ATOM 0 H GLU A 47 -3.563 7.759 6.483 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.523 7.612 3.748 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -6.344 8.237 5.922 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.142 9.627 4.874 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -6.454 7.889 2.909 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -7.125 6.848 4.149 1.00 0.00 H new ATOM 794 N ARG A 48 -3.101 9.563 3.404 1.00 0.00 N ATOM 795 CA ARG A 48 -2.231 10.700 3.156 1.00 0.00 C ATOM 796 C ARG A 48 -0.840 10.442 3.740 1.00 0.00 C ATOM 797 O ARG A 48 0.067 11.256 3.574 1.00 0.00 O ATOM 798 CB ARG A 48 -2.805 11.978 3.770 1.00 0.00 C ATOM 799 CG ARG A 48 -2.790 13.127 2.760 1.00 0.00 C ATOM 800 CD ARG A 48 -4.122 13.217 2.012 1.00 0.00 C ATOM 801 NE ARG A 48 -4.084 14.336 1.044 1.00 0.00 N ATOM 802 CZ ARG A 48 -5.159 14.808 0.398 1.00 0.00 C ATOM 803 NH1 ARG A 48 -6.363 14.261 0.614 1.00 0.00 N ATOM 804 NH2 ARG A 48 -5.030 15.826 -0.463 1.00 0.00 N ATOM 0 H ARG A 48 -3.210 8.928 2.613 1.00 0.00 H new ATOM 0 HA ARG A 48 -2.157 10.831 2.076 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -3.826 11.797 4.105 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -2.225 12.255 4.650 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -2.594 14.067 3.276 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -1.978 12.979 2.048 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -4.320 12.281 1.490 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -4.937 13.365 2.720 1.00 0.00 H new ATOM 0 HE ARG A 48 -3.183 14.776 0.857 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -6.461 13.486 1.270 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -7.182 14.620 0.123 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -4.113 16.242 -0.627 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -5.848 16.185 -0.955 1.00 0.00 H new ATOM 818 N TRP A 49 -0.717 9.306 4.411 1.00 0.00 N ATOM 819 CA TRP A 49 0.548 8.931 5.020 1.00 0.00 C ATOM 820 C TRP A 49 0.835 7.473 4.653 1.00 0.00 C ATOM 821 O TRP A 49 1.941 7.143 4.228 1.00 0.00 O ATOM 822 CB TRP A 49 0.522 9.173 6.531 1.00 0.00 C ATOM 823 CG TRP A 49 1.908 9.301 7.164 1.00 0.00 C ATOM 824 CD1 TRP A 49 3.009 9.852 6.635 1.00 0.00 C ATOM 825 CD2 TRP A 49 2.300 8.845 8.476 1.00 0.00 C ATOM 826 NE1 TRP A 49 4.077 9.784 7.506 1.00 0.00 N ATOM 827 CE2 TRP A 49 3.632 9.152 8.662 1.00 0.00 C ATOM 828 CE3 TRP A 49 1.553 8.194 9.473 1.00 0.00 C ATOM 829 CZ2 TRP A 49 4.334 8.847 9.834 1.00 0.00 C ATOM 830 CZ3 TRP A 49 2.268 7.895 10.639 1.00 0.00 C ATOM 831 CH2 TRP A 49 3.609 8.198 10.841 1.00 0.00 C ATOM 0 H TRP A 49 -1.472 8.634 4.546 1.00 0.00 H new ATOM 0 HA TRP A 49 1.359 9.552 4.640 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -0.044 10.082 6.733 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -0.011 8.352 7.011 1.00 0.00 H new ATOM 0 HD1 TRP A 49 3.055 10.294 5.651 1.00 0.00 H new ATOM 0 HE1 TRP A 49 5.020 10.133 7.334 1.00 0.00 H new ATOM 0 HE3 TRP A 49 0.510 7.944 9.349 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 5.377 9.098 9.955 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 1.740 7.394 11.437 1.00 0.00 H new ATOM 0 HH2 TRP A 49 4.090 7.934 11.771 1.00 0.00 H new ATOM 842 N HIS A 50 -0.180 6.641 4.831 1.00 0.00 N ATOM 843 CA HIS A 50 -0.050 5.226 4.524 1.00 0.00 C ATOM 844 C HIS A 50 -0.025 5.031 3.007 1.00 0.00 C ATOM 845 O HIS A 50 1.040 5.055 2.392 1.00 0.00 O ATOM 846 CB HIS A 50 -1.155 4.418 5.207 1.00 0.00 C ATOM 847 CG HIS A 50 -1.151 2.951 4.853 1.00 0.00 C ATOM 848 ND1 HIS A 50 -1.228 2.494 3.549 1.00 0.00 N ATOM 849 CD2 HIS A 50 -1.078 1.843 5.646 1.00 0.00 C ATOM 850 CE1 HIS A 50 -1.203 1.169 3.568 1.00 0.00 C ATOM 851 NE2 HIS A 50 -1.110 0.768 4.868 1.00 0.00 N ATOM 0 H HIS A 50 -1.096 6.919 5.184 1.00 0.00 H new ATOM 0 HA HIS A 50 0.893 4.849 4.920 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -1.051 4.521 6.287 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -2.122 4.844 4.938 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -1.006 1.841 6.724 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -1.248 0.521 2.705 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -1.071 -0.199 5.190 1.00 0.00 H new ATOM 859 N ASN A 51 -1.211 4.842 2.447 1.00 0.00 N ATOM 860 CA ASN A 51 -1.338 4.642 1.013 1.00 0.00 C ATOM 861 C ASN A 51 -0.775 5.862 0.281 1.00 0.00 C ATOM 862 O ASN A 51 -1.522 6.765 -0.093 1.00 0.00 O ATOM 863 CB ASN A 51 -2.805 4.482 0.607 1.00 0.00 C ATOM 864 CG ASN A 51 -3.687 4.227 1.831 1.00 0.00 C ATOM 865 OD1 ASN A 51 -3.742 5.248 2.681 1.00 0.00 O flip ATOM 866 ND2 ASN A 51 -4.279 3.172 1.992 1.00 0.00 N flip ATOM 0 H ASN A 51 -2.092 4.823 2.960 1.00 0.00 H new ATOM 0 HA ASN A 51 -0.790 3.738 0.748 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -3.143 5.380 0.091 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.904 3.655 -0.096 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -4.193 2.428 1.299 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -4.860 3.034 2.819 1.00 0.00 H new ATOM 873 N HIS A 52 0.537 5.848 0.098 1.00 0.00 N ATOM 874 CA HIS A 52 1.209 6.942 -0.583 1.00 0.00 C ATOM 875 C HIS A 52 2.681 6.587 -0.798 1.00 0.00 C ATOM 876 O HIS A 52 3.124 6.420 -1.933 1.00 0.00 O ATOM 877 CB HIS A 52 1.021 8.255 0.181 1.00 0.00 C ATOM 878 CG HIS A 52 -0.217 9.024 -0.215 1.00 0.00 C ATOM 879 ND1 HIS A 52 -1.361 9.288 0.478 1.00 0.00 N flip ATOM 880 CD2 HIS A 52 -0.365 9.619 -1.456 1.00 0.00 C flip ATOM 881 CE1 HIS A 52 -2.165 10.007 -0.297 1.00 0.00 C flip ATOM 882 NE2 HIS A 52 -1.549 10.213 -1.496 1.00 0.00 N flip ATOM 0 H HIS A 52 1.153 5.097 0.409 1.00 0.00 H new ATOM 0 HA HIS A 52 0.761 7.093 -1.565 1.00 0.00 H new ATOM 0 HB2 HIS A 52 0.976 8.039 1.248 1.00 0.00 H new ATOM 0 HB3 HIS A 52 1.895 8.886 0.020 1.00 0.00 H new ATOM 0 HD2 HIS A 52 0.361 9.602 -2.256 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -3.145 10.369 -0.023 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -1.932 10.733 -2.285 1.00 0.00 H new ATOM 890 N LEU A 53 3.399 6.481 0.311 1.00 0.00 N ATOM 891 CA LEU A 53 4.812 6.148 0.259 1.00 0.00 C ATOM 892 C LEU A 53 5.219 5.464 1.566 1.00 0.00 C ATOM 893 O LEU A 53 6.332 5.660 2.052 1.00 0.00 O ATOM 894 CB LEU A 53 5.643 7.389 -0.071 1.00 0.00 C ATOM 895 CG LEU A 53 6.865 7.161 -0.963 1.00 0.00 C ATOM 896 CD1 LEU A 53 7.993 6.482 -0.185 1.00 0.00 C ATOM 897 CD2 LEU A 53 6.485 6.379 -2.222 1.00 0.00 C ATOM 0 H LEU A 53 3.028 6.620 1.251 1.00 0.00 H new ATOM 0 HA LEU A 53 5.007 5.439 -0.546 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.994 8.118 -0.557 1.00 0.00 H new ATOM 0 HB3 LEU A 53 5.979 7.836 0.865 1.00 0.00 H new ATOM 0 HG LEU A 53 7.238 8.133 -1.287 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.849 6.332 -0.842 1.00 0.00 H new ATOM 0 HD12 LEU A 53 8.286 7.112 0.655 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.648 5.518 0.188 1.00 0.00 H new ATOM 0 HD21 LEU A 53 7.371 6.230 -2.839 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.073 5.410 -1.938 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.739 6.939 -2.787 1.00 0.00 H new ATOM 909 N ASN A 54 4.296 4.677 2.098 1.00 0.00 N ATOM 910 CA ASN A 54 4.545 3.964 3.339 1.00 0.00 C ATOM 911 C ASN A 54 5.441 2.757 3.057 1.00 0.00 C ATOM 912 O ASN A 54 6.448 2.555 3.734 1.00 0.00 O ATOM 913 CB ASN A 54 3.239 3.451 3.951 1.00 0.00 C ATOM 914 CG ASN A 54 3.362 1.979 4.351 1.00 0.00 C ATOM 915 OD1 ASN A 54 2.981 1.077 3.623 1.00 0.00 O ATOM 916 ND2 ASN A 54 3.915 1.788 5.545 1.00 0.00 N ATOM 0 H ASN A 54 3.374 4.517 1.692 1.00 0.00 H new ATOM 0 HA ASN A 54 5.023 4.654 4.035 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.984 4.049 4.826 1.00 0.00 H new ATOM 0 HB3 ASN A 54 2.426 3.570 3.235 1.00 0.00 H new ATOM 0 HD21 ASN A 54 4.042 0.841 5.903 1.00 0.00 H new ATOM 0 HD22 ASN A 54 4.212 2.588 6.103 1.00 0.00 H new ATOM 923 N PRO A 55 5.033 1.964 2.030 1.00 0.00 N ATOM 924 CA PRO A 55 5.788 0.782 1.651 1.00 0.00 C ATOM 925 C PRO A 55 7.062 1.165 0.894 1.00 0.00 C ATOM 926 O PRO A 55 8.110 1.374 1.503 1.00 0.00 O ATOM 927 CB PRO A 55 4.827 -0.047 0.814 1.00 0.00 C ATOM 928 CG PRO A 55 3.731 0.909 0.369 1.00 0.00 C ATOM 929 CD PRO A 55 3.846 2.172 1.206 1.00 0.00 C ATOM 0 HA PRO A 55 6.139 0.213 2.512 1.00 0.00 H new ATOM 0 HB2 PRO A 55 5.335 -0.486 -0.045 1.00 0.00 H new ATOM 0 HB3 PRO A 55 4.414 -0.871 1.395 1.00 0.00 H new ATOM 0 HG2 PRO A 55 3.835 1.142 -0.691 1.00 0.00 H new ATOM 0 HG3 PRO A 55 2.750 0.452 0.500 1.00 0.00 H new ATOM 0 HD2 PRO A 55 3.951 3.056 0.577 1.00 0.00 H new ATOM 0 HD3 PRO A 55 2.958 2.322 1.821 1.00 0.00 H new ATOM 937 N GLU A 56 6.929 1.244 -0.422 1.00 0.00 N ATOM 938 CA GLU A 56 8.056 1.598 -1.267 1.00 0.00 C ATOM 939 C GLU A 56 9.200 0.600 -1.072 1.00 0.00 C ATOM 940 O GLU A 56 9.314 -0.020 -0.016 1.00 0.00 O ATOM 941 CB GLU A 56 8.523 3.028 -0.989 1.00 0.00 C ATOM 942 CG GLU A 56 9.954 3.245 -1.487 1.00 0.00 C ATOM 943 CD GLU A 56 10.428 4.669 -1.189 1.00 0.00 C ATOM 944 OE1 GLU A 56 10.895 4.885 -0.050 1.00 0.00 O ATOM 945 OE2 GLU A 56 10.313 5.508 -2.108 1.00 0.00 O ATOM 0 H GLU A 56 6.058 1.069 -0.923 1.00 0.00 H new ATOM 0 HA GLU A 56 7.733 1.552 -2.307 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.853 3.735 -1.478 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.472 3.229 0.081 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.622 2.528 -1.009 1.00 0.00 H new ATOM 0 HG3 GLU A 56 10.002 3.059 -2.560 1.00 0.00 H new ATOM 952 N VAL A 57 10.017 0.476 -2.107 1.00 0.00 N ATOM 953 CA VAL A 57 11.148 -0.436 -2.063 1.00 0.00 C ATOM 954 C VAL A 57 12.328 0.255 -1.377 1.00 0.00 C ATOM 955 O VAL A 57 12.396 0.302 -0.149 1.00 0.00 O ATOM 956 CB VAL A 57 11.480 -0.927 -3.473 1.00 0.00 C ATOM 957 CG1 VAL A 57 12.866 -1.574 -3.517 1.00 0.00 C ATOM 958 CG2 VAL A 57 10.408 -1.891 -3.985 1.00 0.00 C ATOM 0 H VAL A 57 9.919 0.992 -2.982 1.00 0.00 H new ATOM 0 HA VAL A 57 10.903 -1.321 -1.475 1.00 0.00 H new ATOM 0 HB VAL A 57 11.494 -0.061 -4.134 1.00 0.00 H new ATOM 0 HG11 VAL A 57 13.077 -1.914 -4.531 1.00 0.00 H new ATOM 0 HG12 VAL A 57 13.618 -0.845 -3.215 1.00 0.00 H new ATOM 0 HG13 VAL A 57 12.892 -2.425 -2.836 1.00 0.00 H new ATOM 0 HG21 VAL A 57 10.669 -2.225 -4.989 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.347 -2.753 -3.321 1.00 0.00 H new ATOM 0 HG23 VAL A 57 9.444 -1.383 -4.010 1.00 0.00 H new ATOM 968 N LYS A 58 13.228 0.773 -2.199 1.00 0.00 N ATOM 969 CA LYS A 58 14.402 1.459 -1.686 1.00 0.00 C ATOM 970 C LYS A 58 14.865 2.502 -2.707 1.00 0.00 C ATOM 971 O LYS A 58 14.164 2.777 -3.679 1.00 0.00 O ATOM 972 CB LYS A 58 15.487 0.451 -1.302 1.00 0.00 C ATOM 973 CG LYS A 58 15.646 0.368 0.217 1.00 0.00 C ATOM 974 CD LYS A 58 14.882 -0.830 0.784 1.00 0.00 C ATOM 975 CE LYS A 58 14.060 -0.427 2.009 1.00 0.00 C ATOM 976 NZ LYS A 58 12.993 -1.420 2.266 1.00 0.00 N ATOM 0 H LYS A 58 13.168 0.732 -3.216 1.00 0.00 H new ATOM 0 HA LYS A 58 14.159 1.996 -0.769 1.00 0.00 H new ATOM 0 HB2 LYS A 58 15.232 -0.532 -1.699 1.00 0.00 H new ATOM 0 HB3 LYS A 58 16.435 0.741 -1.755 1.00 0.00 H new ATOM 0 HG2 LYS A 58 16.703 0.283 0.471 1.00 0.00 H new ATOM 0 HG3 LYS A 58 15.280 1.287 0.675 1.00 0.00 H new ATOM 0 HD2 LYS A 58 14.223 -1.241 0.019 1.00 0.00 H new ATOM 0 HD3 LYS A 58 15.584 -1.618 1.056 1.00 0.00 H new ATOM 0 HE2 LYS A 58 14.710 -0.349 2.881 1.00 0.00 H new ATOM 0 HE3 LYS A 58 13.619 0.557 1.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.601 -1.270 3.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 12.238 -1.310 1.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 13.389 -2.380 2.203 1.00 0.00 H new ATOM 990 N LYS A 59 16.042 3.053 -2.450 1.00 0.00 N ATOM 991 CA LYS A 59 16.606 4.059 -3.334 1.00 0.00 C ATOM 992 C LYS A 59 16.879 3.433 -4.703 1.00 0.00 C ATOM 993 O LYS A 59 17.973 2.930 -4.952 1.00 0.00 O ATOM 994 CB LYS A 59 17.838 4.703 -2.695 1.00 0.00 C ATOM 995 CG LYS A 59 18.924 3.659 -2.424 1.00 0.00 C ATOM 996 CD LYS A 59 20.038 3.742 -3.469 1.00 0.00 C ATOM 997 CE LYS A 59 21.392 4.006 -2.808 1.00 0.00 C ATOM 998 NZ LYS A 59 21.470 5.404 -2.327 1.00 0.00 N ATOM 0 H LYS A 59 16.621 2.822 -1.642 1.00 0.00 H new ATOM 0 HA LYS A 59 15.896 4.871 -3.490 1.00 0.00 H new ATOM 0 HB2 LYS A 59 18.230 5.478 -3.353 1.00 0.00 H new ATOM 0 HB3 LYS A 59 17.555 5.190 -1.762 1.00 0.00 H new ATOM 0 HG2 LYS A 59 19.342 3.814 -1.429 1.00 0.00 H new ATOM 0 HG3 LYS A 59 18.485 2.661 -2.434 1.00 0.00 H new ATOM 0 HD2 LYS A 59 20.081 2.811 -4.035 1.00 0.00 H new ATOM 0 HD3 LYS A 59 19.815 4.537 -4.180 1.00 0.00 H new ATOM 0 HE2 LYS A 59 21.536 3.320 -1.974 1.00 0.00 H new ATOM 0 HE3 LYS A 59 22.195 3.815 -3.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 22.395 5.567 -1.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 21.354 6.054 -3.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 20.716 5.574 -1.631 1.00 0.00 H new ATOM 1012 N SER A 60 15.865 3.484 -5.554 1.00 0.00 N ATOM 1013 CA SER A 60 15.981 2.929 -6.892 1.00 0.00 C ATOM 1014 C SER A 60 14.695 3.186 -7.679 1.00 0.00 C ATOM 1015 O SER A 60 13.826 3.930 -7.229 1.00 0.00 O ATOM 1016 CB SER A 60 16.282 1.429 -6.841 1.00 0.00 C ATOM 1017 OG SER A 60 17.434 1.090 -7.607 1.00 0.00 O ATOM 0 H SER A 60 14.959 3.901 -5.343 1.00 0.00 H new ATOM 0 HA SER A 60 16.812 3.422 -7.396 1.00 0.00 H new ATOM 0 HB2 SER A 60 16.433 1.124 -5.805 1.00 0.00 H new ATOM 0 HB3 SER A 60 15.422 0.874 -7.215 1.00 0.00 H new ATOM 0 HG SER A 60 17.688 0.162 -7.423 1.00 0.00 H new ATOM 1023 N SER A 61 14.615 2.555 -8.842 1.00 0.00 N ATOM 1024 CA SER A 61 13.450 2.707 -9.696 1.00 0.00 C ATOM 1025 C SER A 61 12.761 1.354 -9.886 1.00 0.00 C ATOM 1026 O SER A 61 12.063 1.142 -10.877 1.00 0.00 O ATOM 1027 CB SER A 61 13.835 3.301 -11.053 1.00 0.00 C ATOM 1028 OG SER A 61 12.979 4.377 -11.426 1.00 0.00 O ATOM 0 H SER A 61 15.338 1.938 -9.212 1.00 0.00 H new ATOM 0 HA SER A 61 12.758 3.396 -9.211 1.00 0.00 H new ATOM 0 HB2 SER A 61 14.866 3.654 -11.015 1.00 0.00 H new ATOM 0 HB3 SER A 61 13.792 2.523 -11.815 1.00 0.00 H new ATOM 0 HG SER A 61 13.258 4.730 -12.296 1.00 0.00 H new ATOM 1034 N TRP A 62 12.981 0.473 -8.921 1.00 0.00 N ATOM 1035 CA TRP A 62 12.390 -0.853 -8.969 1.00 0.00 C ATOM 1036 C TRP A 62 11.054 -0.803 -8.225 1.00 0.00 C ATOM 1037 O TRP A 62 10.660 0.247 -7.720 1.00 0.00 O ATOM 1038 CB TRP A 62 13.350 -1.902 -8.404 1.00 0.00 C ATOM 1039 CG TRP A 62 14.648 -2.051 -9.201 1.00 0.00 C ATOM 1040 CD1 TRP A 62 15.826 -1.453 -8.977 1.00 0.00 C ATOM 1041 CD2 TRP A 62 14.852 -2.879 -10.365 1.00 0.00 C ATOM 1042 NE1 TRP A 62 16.771 -1.834 -9.908 1.00 0.00 N ATOM 1043 CE2 TRP A 62 16.159 -2.728 -10.779 1.00 0.00 C ATOM 1044 CE3 TRP A 62 13.961 -3.727 -11.046 1.00 0.00 C ATOM 1045 CZ2 TRP A 62 16.694 -3.395 -11.888 1.00 0.00 C ATOM 1046 CZ3 TRP A 62 14.510 -4.386 -12.152 1.00 0.00 C ATOM 1047 CH2 TRP A 62 15.825 -4.245 -12.582 1.00 0.00 C ATOM 0 H TRP A 62 13.561 0.652 -8.101 1.00 0.00 H new ATOM 0 HA TRP A 62 12.203 -1.155 -10.000 1.00 0.00 H new ATOM 0 HB2 TRP A 62 13.596 -1.638 -7.375 1.00 0.00 H new ATOM 0 HB3 TRP A 62 12.842 -2.866 -8.373 1.00 0.00 H new ATOM 0 HD1 TRP A 62 16.012 -0.760 -8.170 1.00 0.00 H new ATOM 0 HE1 TRP A 62 17.740 -1.518 -9.949 1.00 0.00 H new ATOM 0 HE3 TRP A 62 12.934 -3.859 -10.740 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 17.722 -3.261 -12.191 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 13.867 -5.050 -12.711 1.00 0.00 H new ATOM 0 HH2 TRP A 62 16.174 -4.789 -13.447 1.00 0.00 H new ATOM 1058 N THR A 63 10.394 -1.951 -8.181 1.00 0.00 N ATOM 1059 CA THR A 63 9.111 -2.051 -7.507 1.00 0.00 C ATOM 1060 C THR A 63 9.121 -3.212 -6.510 1.00 0.00 C ATOM 1061 O THR A 63 10.181 -3.740 -6.177 1.00 0.00 O ATOM 1062 CB THR A 63 8.024 -2.179 -8.576 1.00 0.00 C ATOM 1063 OG1 THR A 63 8.542 -1.451 -9.686 1.00 0.00 O ATOM 1064 CG2 THR A 63 6.744 -1.428 -8.203 1.00 0.00 C ATOM 0 H THR A 63 10.724 -2.820 -8.601 1.00 0.00 H new ATOM 0 HA THR A 63 8.904 -1.158 -6.917 1.00 0.00 H new ATOM 0 HB THR A 63 7.793 -3.232 -8.735 1.00 0.00 H new ATOM 0 HG1 THR A 63 7.901 -1.483 -10.426 1.00 0.00 H new ATOM 0 HG21 THR A 63 6.006 -1.552 -8.995 1.00 0.00 H new ATOM 0 HG22 THR A 63 6.346 -1.828 -7.271 1.00 0.00 H new ATOM 0 HG23 THR A 63 6.967 -0.369 -8.077 1.00 0.00 H new ATOM 1072 N GLU A 64 7.929 -3.575 -6.061 1.00 0.00 N ATOM 1073 CA GLU A 64 7.787 -4.663 -5.108 1.00 0.00 C ATOM 1074 C GLU A 64 7.843 -6.011 -5.830 1.00 0.00 C ATOM 1075 O GLU A 64 8.878 -6.675 -5.831 1.00 0.00 O ATOM 1076 CB GLU A 64 6.492 -4.524 -4.306 1.00 0.00 C ATOM 1077 CG GLU A 64 6.693 -3.613 -3.093 1.00 0.00 C ATOM 1078 CD GLU A 64 6.628 -4.412 -1.790 1.00 0.00 C ATOM 1079 OE1 GLU A 64 5.575 -5.047 -1.566 1.00 0.00 O ATOM 1080 OE2 GLU A 64 7.633 -4.370 -1.048 1.00 0.00 O ATOM 0 H GLU A 64 7.052 -3.135 -6.339 1.00 0.00 H new ATOM 0 HA GLU A 64 8.618 -4.615 -4.404 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.707 -4.118 -4.944 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.158 -5.507 -3.975 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.657 -3.110 -3.167 1.00 0.00 H new ATOM 0 HG3 GLU A 64 5.928 -2.837 -3.086 1.00 0.00 H new ATOM 1087 N GLU A 65 6.717 -6.374 -6.427 1.00 0.00 N ATOM 1088 CA GLU A 65 6.625 -7.630 -7.150 1.00 0.00 C ATOM 1089 C GLU A 65 7.857 -7.823 -8.037 1.00 0.00 C ATOM 1090 O GLU A 65 8.243 -8.953 -8.332 1.00 0.00 O ATOM 1091 CB GLU A 65 5.339 -7.694 -7.977 1.00 0.00 C ATOM 1092 CG GLU A 65 4.105 -7.653 -7.074 1.00 0.00 C ATOM 1093 CD GLU A 65 3.011 -8.585 -7.600 1.00 0.00 C ATOM 1094 OE1 GLU A 65 2.337 -8.178 -8.571 1.00 0.00 O ATOM 1095 OE2 GLU A 65 2.873 -9.683 -7.018 1.00 0.00 O ATOM 0 H GLU A 65 5.861 -5.820 -6.424 1.00 0.00 H new ATOM 0 HA GLU A 65 6.592 -8.443 -6.424 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.310 -6.859 -8.677 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.329 -8.608 -8.571 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.381 -7.945 -6.061 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.724 -6.633 -7.019 1.00 0.00 H new ATOM 1102 N GLU A 66 8.441 -6.703 -8.437 1.00 0.00 N ATOM 1103 CA GLU A 66 9.621 -6.735 -9.284 1.00 0.00 C ATOM 1104 C GLU A 66 10.806 -7.330 -8.521 1.00 0.00 C ATOM 1105 O GLU A 66 11.588 -8.097 -9.082 1.00 0.00 O ATOM 1106 CB GLU A 66 9.955 -5.338 -9.812 1.00 0.00 C ATOM 1107 CG GLU A 66 8.946 -4.898 -10.875 1.00 0.00 C ATOM 1108 CD GLU A 66 9.637 -4.658 -12.219 1.00 0.00 C ATOM 1109 OE1 GLU A 66 10.807 -4.219 -12.186 1.00 0.00 O ATOM 1110 OE2 GLU A 66 8.979 -4.918 -13.250 1.00 0.00 O ATOM 0 H GLU A 66 8.119 -5.767 -8.190 1.00 0.00 H new ATOM 0 HA GLU A 66 9.410 -7.372 -10.143 1.00 0.00 H new ATOM 0 HB2 GLU A 66 9.955 -4.624 -8.988 1.00 0.00 H new ATOM 0 HB3 GLU A 66 10.959 -5.336 -10.236 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.176 -5.661 -10.989 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.445 -3.986 -10.551 1.00 0.00 H new ATOM 1117 N ASP A 67 10.901 -6.956 -7.254 1.00 0.00 N ATOM 1118 CA ASP A 67 11.977 -7.443 -6.408 1.00 0.00 C ATOM 1119 C ASP A 67 11.769 -8.934 -6.134 1.00 0.00 C ATOM 1120 O ASP A 67 12.704 -9.726 -6.245 1.00 0.00 O ATOM 1121 CB ASP A 67 11.996 -6.713 -5.064 1.00 0.00 C ATOM 1122 CG ASP A 67 13.388 -6.466 -4.481 1.00 0.00 C ATOM 1123 OD1 ASP A 67 13.896 -7.392 -3.813 1.00 0.00 O ATOM 1124 OD2 ASP A 67 13.914 -5.357 -4.716 1.00 0.00 O ATOM 0 H ASP A 67 10.250 -6.321 -6.792 1.00 0.00 H new ATOM 0 HA ASP A 67 12.919 -7.266 -6.926 1.00 0.00 H new ATOM 0 HB2 ASP A 67 11.493 -5.753 -5.182 1.00 0.00 H new ATOM 0 HB3 ASP A 67 11.415 -7.291 -4.345 1.00 0.00 H new ATOM 1129 N ARG A 68 10.538 -9.271 -5.779 1.00 0.00 N ATOM 1130 CA ARG A 68 10.195 -10.653 -5.488 1.00 0.00 C ATOM 1131 C ARG A 68 10.476 -11.537 -6.705 1.00 0.00 C ATOM 1132 O ARG A 68 11.310 -12.439 -6.642 1.00 0.00 O ATOM 1133 CB ARG A 68 8.721 -10.784 -5.100 1.00 0.00 C ATOM 1134 CG ARG A 68 8.506 -10.416 -3.630 1.00 0.00 C ATOM 1135 CD ARG A 68 7.885 -11.581 -2.858 1.00 0.00 C ATOM 1136 NE ARG A 68 8.790 -12.752 -2.894 1.00 0.00 N ATOM 1137 CZ ARG A 68 8.526 -13.924 -2.301 1.00 0.00 C ATOM 1138 NH1 ARG A 68 7.382 -14.089 -1.623 1.00 0.00 N ATOM 1139 NH2 ARG A 68 9.405 -14.932 -2.387 1.00 0.00 N ATOM 0 H ARG A 68 9.766 -8.611 -5.686 1.00 0.00 H new ATOM 0 HA ARG A 68 10.810 -10.978 -4.649 1.00 0.00 H new ATOM 0 HB2 ARG A 68 8.116 -10.135 -5.733 1.00 0.00 H new ATOM 0 HB3 ARG A 68 8.384 -11.806 -5.276 1.00 0.00 H new ATOM 0 HG2 ARG A 68 9.459 -10.142 -3.177 1.00 0.00 H new ATOM 0 HG3 ARG A 68 7.857 -9.543 -3.561 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.700 -11.286 -1.825 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.920 -11.843 -3.293 1.00 0.00 H new ATOM 0 HE ARG A 68 9.670 -12.661 -3.402 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.712 -13.322 -1.558 1.00 0.00 H new ATOM 0 HH12 ARG A 68 7.181 -14.981 -1.172 1.00 0.00 H new ATOM 0 HH21 ARG A 68 10.275 -14.807 -2.904 1.00 0.00 H new ATOM 0 HH22 ARG A 68 9.204 -15.824 -1.935 1.00 0.00 H new ATOM 1153 N ILE A 69 9.763 -11.248 -7.784 1.00 0.00 N ATOM 1154 CA ILE A 69 9.925 -12.005 -9.013 1.00 0.00 C ATOM 1155 C ILE A 69 11.407 -12.331 -9.215 1.00 0.00 C ATOM 1156 O ILE A 69 11.817 -13.483 -9.080 1.00 0.00 O ATOM 1157 CB ILE A 69 9.294 -11.259 -10.190 1.00 0.00 C ATOM 1158 CG1 ILE A 69 7.772 -11.202 -10.050 1.00 0.00 C ATOM 1159 CG2 ILE A 69 9.725 -11.873 -11.523 1.00 0.00 C ATOM 1160 CD1 ILE A 69 7.160 -10.259 -11.088 1.00 0.00 C ATOM 0 H ILE A 69 9.072 -10.500 -7.832 1.00 0.00 H new ATOM 0 HA ILE A 69 9.395 -12.955 -8.947 1.00 0.00 H new ATOM 0 HB ILE A 69 9.657 -10.231 -10.177 1.00 0.00 H new ATOM 0 HG12 ILE A 69 7.355 -12.202 -10.171 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.508 -10.865 -9.047 1.00 0.00 H new ATOM 0 HG21 ILE A 69 9.262 -11.324 -12.343 1.00 0.00 H new ATOM 0 HG22 ILE A 69 10.810 -11.817 -11.615 1.00 0.00 H new ATOM 0 HG23 ILE A 69 9.411 -12.916 -11.562 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.077 -10.237 -10.966 1.00 0.00 H new ATOM 0 HD12 ILE A 69 7.561 -9.255 -10.949 1.00 0.00 H new ATOM 0 HD13 ILE A 69 7.405 -10.612 -12.090 1.00 0.00 H new ATOM 1172 N ILE A 70 12.169 -11.296 -9.535 1.00 0.00 N ATOM 1173 CA ILE A 70 13.596 -11.457 -9.757 1.00 0.00 C ATOM 1174 C ILE A 70 14.199 -12.260 -8.602 1.00 0.00 C ATOM 1175 O ILE A 70 14.923 -13.228 -8.826 1.00 0.00 O ATOM 1176 CB ILE A 70 14.262 -10.097 -9.974 1.00 0.00 C ATOM 1177 CG1 ILE A 70 13.563 -9.317 -11.089 1.00 0.00 C ATOM 1178 CG2 ILE A 70 15.760 -10.256 -10.238 1.00 0.00 C ATOM 1179 CD1 ILE A 70 14.356 -8.062 -11.460 1.00 0.00 C ATOM 0 H ILE A 70 11.825 -10.342 -9.646 1.00 0.00 H new ATOM 0 HA ILE A 70 13.778 -12.024 -10.670 1.00 0.00 H new ATOM 0 HB ILE A 70 14.157 -9.515 -9.059 1.00 0.00 H new ATOM 0 HG12 ILE A 70 13.450 -9.953 -11.967 1.00 0.00 H new ATOM 0 HG13 ILE A 70 12.560 -9.036 -10.768 1.00 0.00 H new ATOM 0 HG21 ILE A 70 16.209 -9.274 -10.389 1.00 0.00 H new ATOM 0 HG22 ILE A 70 16.230 -10.743 -9.384 1.00 0.00 H new ATOM 0 HG23 ILE A 70 15.910 -10.864 -11.130 1.00 0.00 H new ATOM 0 HD11 ILE A 70 13.838 -7.526 -12.255 1.00 0.00 H new ATOM 0 HD12 ILE A 70 14.446 -7.417 -10.586 1.00 0.00 H new ATOM 0 HD13 ILE A 70 15.350 -8.348 -11.804 1.00 0.00 H new ATOM 1191 N PHE A 71 13.879 -11.827 -7.392 1.00 0.00 N ATOM 1192 CA PHE A 71 14.381 -12.493 -6.201 1.00 0.00 C ATOM 1193 C PHE A 71 13.955 -13.962 -6.175 1.00 0.00 C ATOM 1194 O PHE A 71 14.499 -14.756 -5.409 1.00 0.00 O ATOM 1195 CB PHE A 71 13.770 -11.775 -4.996 1.00 0.00 C ATOM 1196 CG PHE A 71 13.956 -12.516 -3.671 1.00 0.00 C ATOM 1197 CD1 PHE A 71 15.182 -12.560 -3.083 1.00 0.00 C ATOM 1198 CD2 PHE A 71 12.896 -13.130 -3.080 1.00 0.00 C ATOM 1199 CE1 PHE A 71 15.355 -13.247 -1.852 1.00 0.00 C ATOM 1200 CE2 PHE A 71 13.070 -13.818 -1.850 1.00 0.00 C ATOM 1201 CZ PHE A 71 14.295 -13.862 -1.262 1.00 0.00 C ATOM 0 H PHE A 71 13.278 -11.023 -7.210 1.00 0.00 H new ATOM 0 HA PHE A 71 15.470 -12.458 -6.186 1.00 0.00 H new ATOM 0 HB2 PHE A 71 14.216 -10.784 -4.912 1.00 0.00 H new ATOM 0 HB3 PHE A 71 12.704 -11.631 -5.174 1.00 0.00 H new ATOM 0 HD1 PHE A 71 16.024 -12.073 -3.552 1.00 0.00 H new ATOM 0 HD2 PHE A 71 11.922 -13.094 -3.546 1.00 0.00 H new ATOM 0 HE1 PHE A 71 16.328 -13.281 -1.385 1.00 0.00 H new ATOM 0 HE2 PHE A 71 12.229 -14.307 -1.381 1.00 0.00 H new ATOM 0 HZ PHE A 71 14.426 -14.385 -0.326 1.00 0.00 H new ATOM 1211 N GLU A 72 12.985 -14.279 -7.020 1.00 0.00 N ATOM 1212 CA GLU A 72 12.480 -15.639 -7.103 1.00 0.00 C ATOM 1213 C GLU A 72 12.977 -16.313 -8.383 1.00 0.00 C ATOM 1214 O GLU A 72 12.868 -17.529 -8.532 1.00 0.00 O ATOM 1215 CB GLU A 72 10.952 -15.662 -7.029 1.00 0.00 C ATOM 1216 CG GLU A 72 10.341 -15.945 -8.403 1.00 0.00 C ATOM 1217 CD GLU A 72 10.284 -17.449 -8.678 1.00 0.00 C ATOM 1218 OE1 GLU A 72 10.005 -18.193 -7.712 1.00 0.00 O ATOM 1219 OE2 GLU A 72 10.521 -17.822 -9.847 1.00 0.00 O ATOM 0 H GLU A 72 12.535 -13.618 -7.653 1.00 0.00 H new ATOM 0 HA GLU A 72 12.861 -16.200 -6.249 1.00 0.00 H new ATOM 0 HB2 GLU A 72 10.630 -16.425 -6.320 1.00 0.00 H new ATOM 0 HB3 GLU A 72 10.588 -14.705 -6.655 1.00 0.00 H new ATOM 0 HG2 GLU A 72 9.337 -15.524 -8.452 1.00 0.00 H new ATOM 0 HG3 GLU A 72 10.931 -15.452 -9.176 1.00 0.00 H new ATOM 1226 N ALA A 73 13.513 -15.493 -9.276 1.00 0.00 N ATOM 1227 CA ALA A 73 14.027 -15.994 -10.539 1.00 0.00 C ATOM 1228 C ALA A 73 15.517 -16.308 -10.389 1.00 0.00 C ATOM 1229 O ALA A 73 16.068 -17.097 -11.156 1.00 0.00 O ATOM 1230 CB ALA A 73 13.755 -14.971 -11.643 1.00 0.00 C ATOM 0 H ALA A 73 13.602 -14.485 -9.149 1.00 0.00 H new ATOM 0 HA ALA A 73 13.522 -16.918 -10.820 1.00 0.00 H new ATOM 0 HB1 ALA A 73 14.141 -15.347 -12.591 1.00 0.00 H new ATOM 0 HB2 ALA A 73 12.681 -14.805 -11.729 1.00 0.00 H new ATOM 0 HB3 ALA A 73 14.249 -14.031 -11.398 1.00 0.00 H new ATOM 1236 N HIS A 74 16.126 -15.675 -9.398 1.00 0.00 N ATOM 1237 CA HIS A 74 17.541 -15.877 -9.138 1.00 0.00 C ATOM 1238 C HIS A 74 17.752 -17.243 -8.481 1.00 0.00 C ATOM 1239 O HIS A 74 18.876 -17.738 -8.420 1.00 0.00 O ATOM 1240 CB HIS A 74 18.111 -14.725 -8.308 1.00 0.00 C ATOM 1241 CG HIS A 74 19.587 -14.488 -8.518 1.00 0.00 C ATOM 1242 ND1 HIS A 74 20.557 -15.001 -7.674 1.00 0.00 N ATOM 1243 CD2 HIS A 74 20.249 -13.789 -9.485 1.00 0.00 C ATOM 1244 CE1 HIS A 74 21.744 -14.621 -8.121 1.00 0.00 C ATOM 1245 NE2 HIS A 74 21.551 -13.870 -9.243 1.00 0.00 N ATOM 0 H HIS A 74 15.665 -15.021 -8.765 1.00 0.00 H new ATOM 0 HA HIS A 74 18.091 -15.876 -10.079 1.00 0.00 H new ATOM 0 HB2 HIS A 74 17.569 -13.812 -8.552 1.00 0.00 H new ATOM 0 HB3 HIS A 74 17.933 -14.929 -7.252 1.00 0.00 H new ATOM 0 HD2 HIS A 74 19.791 -13.260 -10.308 1.00 0.00 H new ATOM 0 HE1 HIS A 74 22.698 -14.863 -7.675 1.00 0.00 H new ATOM 0 HE2 HIS A 74 22.287 -13.441 -9.804 1.00 0.00 H new ATOM 1253 N LYS A 75 16.654 -17.812 -8.007 1.00 0.00 N ATOM 1254 CA LYS A 75 16.705 -19.110 -7.357 1.00 0.00 C ATOM 1255 C LYS A 75 16.219 -20.184 -8.333 1.00 0.00 C ATOM 1256 O LYS A 75 15.966 -21.320 -7.936 1.00 0.00 O ATOM 1257 CB LYS A 75 15.929 -19.081 -6.039 1.00 0.00 C ATOM 1258 CG LYS A 75 14.485 -19.544 -6.242 1.00 0.00 C ATOM 1259 CD LYS A 75 13.571 -18.989 -5.147 1.00 0.00 C ATOM 1260 CE LYS A 75 12.144 -19.517 -5.305 1.00 0.00 C ATOM 1261 NZ LYS A 75 11.198 -18.697 -4.515 1.00 0.00 N ATOM 0 H LYS A 75 15.723 -17.398 -8.060 1.00 0.00 H new ATOM 0 HA LYS A 75 17.731 -19.362 -7.090 1.00 0.00 H new ATOM 0 HB2 LYS A 75 16.421 -19.723 -5.309 1.00 0.00 H new ATOM 0 HB3 LYS A 75 15.937 -18.070 -5.631 1.00 0.00 H new ATOM 0 HG2 LYS A 75 14.128 -19.217 -7.219 1.00 0.00 H new ATOM 0 HG3 LYS A 75 14.445 -20.633 -6.237 1.00 0.00 H new ATOM 0 HD2 LYS A 75 13.960 -19.268 -4.168 1.00 0.00 H new ATOM 0 HD3 LYS A 75 13.566 -17.900 -5.189 1.00 0.00 H new ATOM 0 HE2 LYS A 75 11.858 -19.501 -6.357 1.00 0.00 H new ATOM 0 HE3 LYS A 75 12.096 -20.556 -4.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 10.696 -19.304 -3.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 11.723 -17.962 -4.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.510 -18.249 -5.153 1.00 0.00 H new ATOM 1275 N VAL A 76 16.102 -19.785 -9.591 1.00 0.00 N ATOM 1276 CA VAL A 76 15.651 -20.699 -10.627 1.00 0.00 C ATOM 1277 C VAL A 76 16.783 -20.924 -11.631 1.00 0.00 C ATOM 1278 O VAL A 76 16.926 -22.018 -12.176 1.00 0.00 O ATOM 1279 CB VAL A 76 14.374 -20.163 -11.277 1.00 0.00 C ATOM 1280 CG1 VAL A 76 13.501 -21.308 -11.796 1.00 0.00 C ATOM 1281 CG2 VAL A 76 13.593 -19.277 -10.304 1.00 0.00 C ATOM 0 H VAL A 76 16.312 -18.841 -9.916 1.00 0.00 H new ATOM 0 HA VAL A 76 15.400 -21.669 -10.198 1.00 0.00 H new ATOM 0 HB VAL A 76 14.665 -19.549 -12.130 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.600 -20.900 -12.253 1.00 0.00 H new ATOM 0 HG12 VAL A 76 14.057 -21.882 -12.538 1.00 0.00 H new ATOM 0 HG13 VAL A 76 13.224 -21.959 -10.967 1.00 0.00 H new ATOM 0 HG21 VAL A 76 12.690 -18.909 -10.791 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.319 -19.857 -9.423 1.00 0.00 H new ATOM 0 HG23 VAL A 76 14.213 -18.432 -10.004 1.00 0.00 H new ATOM 1291 N LEU A 77 17.559 -19.872 -11.845 1.00 0.00 N ATOM 1292 CA LEU A 77 18.675 -19.941 -12.774 1.00 0.00 C ATOM 1293 C LEU A 77 19.958 -19.519 -12.056 1.00 0.00 C ATOM 1294 O LEU A 77 20.809 -20.354 -11.755 1.00 0.00 O ATOM 1295 CB LEU A 77 18.376 -19.123 -14.032 1.00 0.00 C ATOM 1296 CG LEU A 77 16.899 -18.982 -14.405 1.00 0.00 C ATOM 1297 CD1 LEU A 77 16.334 -17.649 -13.909 1.00 0.00 C ATOM 1298 CD2 LEU A 77 16.692 -19.168 -15.910 1.00 0.00 C ATOM 0 H LEU A 77 17.437 -18.967 -11.391 1.00 0.00 H new ATOM 0 HA LEU A 77 18.823 -20.965 -13.116 1.00 0.00 H new ATOM 0 HB2 LEU A 77 18.794 -18.125 -13.900 1.00 0.00 H new ATOM 0 HB3 LEU A 77 18.900 -19.580 -14.871 1.00 0.00 H new ATOM 0 HG LEU A 77 16.343 -19.775 -13.904 1.00 0.00 H new ATOM 0 HD11 LEU A 77 15.283 -17.573 -14.187 1.00 0.00 H new ATOM 0 HD12 LEU A 77 16.427 -17.595 -12.824 1.00 0.00 H new ATOM 0 HD13 LEU A 77 16.889 -16.827 -14.362 1.00 0.00 H new ATOM 0 HD21 LEU A 77 15.633 -19.063 -16.147 1.00 0.00 H new ATOM 0 HD22 LEU A 77 17.262 -18.413 -16.452 1.00 0.00 H new ATOM 0 HD23 LEU A 77 17.033 -20.161 -16.204 1.00 0.00 H new ATOM 1310 N GLY A 78 20.057 -18.222 -11.803 1.00 0.00 N ATOM 1311 CA GLY A 78 21.222 -17.678 -11.126 1.00 0.00 C ATOM 1312 C GLY A 78 21.430 -16.207 -11.489 1.00 0.00 C ATOM 1313 O GLY A 78 20.550 -15.377 -11.262 1.00 0.00 O ATOM 0 H GLY A 78 19.349 -17.532 -12.055 1.00 0.00 H new ATOM 0 HA2 GLY A 78 21.099 -17.776 -10.047 1.00 0.00 H new ATOM 0 HA3 GLY A 78 22.107 -18.252 -11.399 1.00 0.00 H new ATOM 1317 N ASN A 79 22.598 -15.928 -12.048 1.00 0.00 N ATOM 1318 CA ASN A 79 22.933 -14.570 -12.445 1.00 0.00 C ATOM 1319 C ASN A 79 22.497 -14.345 -13.894 1.00 0.00 C ATOM 1320 O ASN A 79 23.012 -13.457 -14.570 1.00 0.00 O ATOM 1321 CB ASN A 79 24.441 -14.329 -12.362 1.00 0.00 C ATOM 1322 CG ASN A 79 25.190 -15.630 -12.068 1.00 0.00 C ATOM 1323 OD1 ASN A 79 25.045 -16.236 -11.019 1.00 0.00 O ATOM 1324 ND2 ASN A 79 25.996 -16.024 -13.050 1.00 0.00 N ATOM 0 H ASN A 79 23.325 -16.619 -12.236 1.00 0.00 H new ATOM 0 HA ASN A 79 22.420 -13.885 -11.770 1.00 0.00 H new ATOM 0 HB2 ASN A 79 24.797 -13.905 -13.301 1.00 0.00 H new ATOM 0 HB3 ASN A 79 24.654 -13.599 -11.581 1.00 0.00 H new ATOM 0 HD21 ASN A 79 26.540 -16.881 -12.951 1.00 0.00 H new ATOM 0 HD22 ASN A 79 26.070 -15.469 -13.903 1.00 0.00 H new ATOM 1331 N ARG A 80 21.551 -15.165 -14.328 1.00 0.00 N ATOM 1332 CA ARG A 80 21.039 -15.067 -15.684 1.00 0.00 C ATOM 1333 C ARG A 80 20.178 -13.811 -15.837 1.00 0.00 C ATOM 1334 O ARG A 80 19.026 -13.892 -16.260 1.00 0.00 O ATOM 1335 CB ARG A 80 20.205 -16.297 -16.049 1.00 0.00 C ATOM 1336 CG ARG A 80 21.008 -17.265 -16.920 1.00 0.00 C ATOM 1337 CD ARG A 80 21.260 -18.583 -16.185 1.00 0.00 C ATOM 1338 NE ARG A 80 21.027 -19.724 -17.098 1.00 0.00 N ATOM 1339 CZ ARG A 80 21.952 -20.221 -17.930 1.00 0.00 C ATOM 1340 NH1 ARG A 80 23.178 -19.681 -17.969 1.00 0.00 N ATOM 1341 NH2 ARG A 80 21.652 -21.259 -18.723 1.00 0.00 N ATOM 0 H ARG A 80 21.126 -15.901 -13.764 1.00 0.00 H new ATOM 0 HA ARG A 80 21.894 -15.010 -16.358 1.00 0.00 H new ATOM 0 HB2 ARG A 80 19.881 -16.804 -15.140 1.00 0.00 H new ATOM 0 HB3 ARG A 80 19.305 -15.986 -16.579 1.00 0.00 H new ATOM 0 HG2 ARG A 80 20.469 -17.459 -17.847 1.00 0.00 H new ATOM 0 HG3 ARG A 80 21.960 -16.810 -17.194 1.00 0.00 H new ATOM 0 HD2 ARG A 80 22.283 -18.610 -15.810 1.00 0.00 H new ATOM 0 HD3 ARG A 80 20.601 -18.658 -15.320 1.00 0.00 H new ATOM 0 HE ARG A 80 20.105 -20.159 -17.094 1.00 0.00 H new ATOM 0 HH11 ARG A 80 23.407 -18.891 -17.365 1.00 0.00 H new ATOM 0 HH12 ARG A 80 23.882 -20.060 -18.603 1.00 0.00 H new ATOM 0 HH21 ARG A 80 20.719 -21.671 -18.693 1.00 0.00 H new ATOM 0 HH22 ARG A 80 22.356 -21.637 -19.356 1.00 0.00 H new ATOM 1355 N TRP A 81 20.770 -12.680 -15.483 1.00 0.00 N ATOM 1356 CA TRP A 81 20.071 -11.409 -15.575 1.00 0.00 C ATOM 1357 C TRP A 81 19.438 -11.318 -16.965 1.00 0.00 C ATOM 1358 O TRP A 81 18.349 -10.768 -17.120 1.00 0.00 O ATOM 1359 CB TRP A 81 21.012 -10.243 -15.269 1.00 0.00 C ATOM 1360 CG TRP A 81 22.030 -10.538 -14.166 1.00 0.00 C ATOM 1361 CD1 TRP A 81 23.365 -10.596 -14.269 1.00 0.00 C ATOM 1362 CD2 TRP A 81 21.740 -10.813 -12.779 1.00 0.00 C ATOM 1363 NE1 TRP A 81 23.954 -10.889 -13.055 1.00 0.00 N ATOM 1364 CE2 TRP A 81 22.934 -11.025 -12.121 1.00 0.00 C ATOM 1365 CE3 TRP A 81 20.509 -10.882 -12.103 1.00 0.00 C ATOM 1366 CZ2 TRP A 81 23.015 -11.319 -10.754 1.00 0.00 C ATOM 1367 CZ3 TRP A 81 20.606 -11.177 -10.738 1.00 0.00 C ATOM 1368 CH2 TRP A 81 21.801 -11.392 -10.061 1.00 0.00 C ATOM 0 H TRP A 81 21.726 -12.617 -15.132 1.00 0.00 H new ATOM 0 HA TRP A 81 19.280 -11.348 -14.827 1.00 0.00 H new ATOM 0 HB2 TRP A 81 21.546 -9.972 -16.180 1.00 0.00 H new ATOM 0 HB3 TRP A 81 20.418 -9.377 -14.979 1.00 0.00 H new ATOM 0 HD1 TRP A 81 23.911 -10.434 -15.186 1.00 0.00 H new ATOM 0 HE1 TRP A 81 24.953 -10.987 -12.877 1.00 0.00 H new ATOM 0 HE3 TRP A 81 19.563 -10.720 -12.598 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 23.962 -11.481 -10.261 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 19.689 -11.242 -10.172 1.00 0.00 H new ATOM 0 HH2 TRP A 81 21.793 -11.615 -9.004 1.00 0.00 H new ATOM 1379 N ALA A 82 20.149 -11.864 -17.941 1.00 0.00 N ATOM 1380 CA ALA A 82 19.670 -11.851 -19.313 1.00 0.00 C ATOM 1381 C ALA A 82 18.264 -12.452 -19.364 1.00 0.00 C ATOM 1382 O ALA A 82 17.450 -12.066 -20.201 1.00 0.00 O ATOM 1383 CB ALA A 82 20.659 -12.603 -20.206 1.00 0.00 C ATOM 0 H ALA A 82 21.053 -12.318 -17.809 1.00 0.00 H new ATOM 0 HA ALA A 82 19.605 -10.829 -19.687 1.00 0.00 H new ATOM 0 HB1 ALA A 82 20.300 -12.593 -21.235 1.00 0.00 H new ATOM 0 HB2 ALA A 82 21.634 -12.119 -20.157 1.00 0.00 H new ATOM 0 HB3 ALA A 82 20.748 -13.634 -19.863 1.00 0.00 H new ATOM 1389 N GLU A 83 18.022 -13.387 -18.458 1.00 0.00 N ATOM 1390 CA GLU A 83 16.729 -14.045 -18.389 1.00 0.00 C ATOM 1391 C GLU A 83 15.920 -13.505 -17.208 1.00 0.00 C ATOM 1392 O GLU A 83 14.719 -13.268 -17.330 1.00 0.00 O ATOM 1393 CB GLU A 83 16.890 -15.564 -18.293 1.00 0.00 C ATOM 1394 CG GLU A 83 17.915 -16.071 -19.310 1.00 0.00 C ATOM 1395 CD GLU A 83 17.420 -15.853 -20.741 1.00 0.00 C ATOM 1396 OE1 GLU A 83 16.624 -16.700 -21.202 1.00 0.00 O ATOM 1397 OE2 GLU A 83 17.849 -14.845 -21.342 1.00 0.00 O ATOM 0 H GLU A 83 18.700 -13.705 -17.765 1.00 0.00 H new ATOM 0 HA GLU A 83 16.184 -13.827 -19.308 1.00 0.00 H new ATOM 0 HB2 GLU A 83 17.205 -15.837 -17.286 1.00 0.00 H new ATOM 0 HB3 GLU A 83 15.929 -16.047 -18.468 1.00 0.00 H new ATOM 0 HG2 GLU A 83 18.863 -15.552 -19.166 1.00 0.00 H new ATOM 0 HG3 GLU A 83 18.104 -17.132 -19.144 1.00 0.00 H new ATOM 1404 N ILE A 84 16.611 -13.325 -16.091 1.00 0.00 N ATOM 1405 CA ILE A 84 15.972 -12.816 -14.890 1.00 0.00 C ATOM 1406 C ILE A 84 15.115 -11.600 -15.248 1.00 0.00 C ATOM 1407 O ILE A 84 13.992 -11.465 -14.767 1.00 0.00 O ATOM 1408 CB ILE A 84 17.015 -12.536 -13.806 1.00 0.00 C ATOM 1409 CG1 ILE A 84 16.816 -13.457 -12.601 1.00 0.00 C ATOM 1410 CG2 ILE A 84 17.006 -11.059 -13.406 1.00 0.00 C ATOM 1411 CD1 ILE A 84 17.601 -14.759 -12.771 1.00 0.00 C ATOM 0 H ILE A 84 17.607 -13.523 -15.993 1.00 0.00 H new ATOM 0 HA ILE A 84 15.301 -13.565 -14.469 1.00 0.00 H new ATOM 0 HB ILE A 84 18.001 -12.753 -14.217 1.00 0.00 H new ATOM 0 HG12 ILE A 84 17.140 -12.949 -11.693 1.00 0.00 H new ATOM 0 HG13 ILE A 84 15.756 -13.680 -12.480 1.00 0.00 H new ATOM 0 HG21 ILE A 84 17.756 -10.886 -12.634 1.00 0.00 H new ATOM 0 HG22 ILE A 84 17.234 -10.445 -14.277 1.00 0.00 H new ATOM 0 HG23 ILE A 84 16.022 -10.792 -13.021 1.00 0.00 H new ATOM 0 HD11 ILE A 84 17.442 -15.396 -11.901 1.00 0.00 H new ATOM 0 HD12 ILE A 84 17.258 -15.277 -13.667 1.00 0.00 H new ATOM 0 HD13 ILE A 84 18.663 -14.534 -12.867 1.00 0.00 H new ATOM 1423 N ALA A 85 15.679 -10.747 -16.090 1.00 0.00 N ATOM 1424 CA ALA A 85 14.981 -9.547 -16.519 1.00 0.00 C ATOM 1425 C ALA A 85 13.835 -9.936 -17.456 1.00 0.00 C ATOM 1426 O ALA A 85 12.807 -9.262 -17.498 1.00 0.00 O ATOM 1427 CB ALA A 85 15.973 -8.587 -17.178 1.00 0.00 C ATOM 0 H ALA A 85 16.611 -10.863 -16.487 1.00 0.00 H new ATOM 0 HA ALA A 85 14.546 -9.030 -15.664 1.00 0.00 H new ATOM 0 HB1 ALA A 85 15.449 -7.687 -17.500 1.00 0.00 H new ATOM 0 HB2 ALA A 85 16.750 -8.318 -16.462 1.00 0.00 H new ATOM 0 HB3 ALA A 85 16.428 -9.071 -18.042 1.00 0.00 H new ATOM 1433 N LYS A 86 14.051 -11.022 -18.184 1.00 0.00 N ATOM 1434 CA LYS A 86 13.049 -11.508 -19.117 1.00 0.00 C ATOM 1435 C LYS A 86 11.823 -11.988 -18.338 1.00 0.00 C ATOM 1436 O LYS A 86 11.521 -13.180 -18.322 1.00 0.00 O ATOM 1437 CB LYS A 86 13.648 -12.573 -20.038 1.00 0.00 C ATOM 1438 CG LYS A 86 14.396 -11.929 -21.207 1.00 0.00 C ATOM 1439 CD LYS A 86 14.685 -12.955 -22.305 1.00 0.00 C ATOM 1440 CE LYS A 86 14.874 -12.269 -23.660 1.00 0.00 C ATOM 1441 NZ LYS A 86 16.019 -12.864 -24.385 1.00 0.00 N ATOM 0 H LYS A 86 14.905 -11.579 -18.146 1.00 0.00 H new ATOM 0 HA LYS A 86 12.716 -10.703 -19.772 1.00 0.00 H new ATOM 0 HB2 LYS A 86 14.329 -13.208 -19.471 1.00 0.00 H new ATOM 0 HB3 LYS A 86 12.855 -13.217 -20.419 1.00 0.00 H new ATOM 0 HG2 LYS A 86 13.803 -11.111 -21.616 1.00 0.00 H new ATOM 0 HG3 LYS A 86 15.332 -11.498 -20.851 1.00 0.00 H new ATOM 0 HD2 LYS A 86 15.581 -13.521 -22.052 1.00 0.00 H new ATOM 0 HD3 LYS A 86 13.864 -13.669 -22.366 1.00 0.00 H new ATOM 0 HE2 LYS A 86 13.967 -12.370 -24.255 1.00 0.00 H new ATOM 0 HE3 LYS A 86 15.043 -11.202 -23.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 16.134 -12.388 -25.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 16.886 -12.746 -23.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 15.843 -13.877 -24.541 1.00 0.00 H new ATOM 1455 N LEU A 87 11.149 -11.034 -17.712 1.00 0.00 N ATOM 1456 CA LEU A 87 9.962 -11.344 -16.933 1.00 0.00 C ATOM 1457 C LEU A 87 9.054 -10.114 -16.884 1.00 0.00 C ATOM 1458 O LEU A 87 7.841 -10.226 -17.057 1.00 0.00 O ATOM 1459 CB LEU A 87 10.352 -11.876 -15.552 1.00 0.00 C ATOM 1460 CG LEU A 87 10.426 -13.399 -15.417 1.00 0.00 C ATOM 1461 CD1 LEU A 87 11.326 -13.801 -14.247 1.00 0.00 C ATOM 1462 CD2 LEU A 87 9.028 -14.008 -15.301 1.00 0.00 C ATOM 0 H LEU A 87 11.402 -10.046 -17.728 1.00 0.00 H new ATOM 0 HA LEU A 87 9.392 -12.143 -17.408 1.00 0.00 H new ATOM 0 HB2 LEU A 87 11.323 -11.460 -15.285 1.00 0.00 H new ATOM 0 HB3 LEU A 87 9.633 -11.501 -14.824 1.00 0.00 H new ATOM 0 HG LEU A 87 10.877 -13.802 -16.324 1.00 0.00 H new ATOM 0 HD11 LEU A 87 11.362 -14.888 -14.172 1.00 0.00 H new ATOM 0 HD12 LEU A 87 12.332 -13.415 -14.412 1.00 0.00 H new ATOM 0 HD13 LEU A 87 10.926 -13.387 -13.321 1.00 0.00 H new ATOM 0 HD21 LEU A 87 9.110 -15.091 -15.206 1.00 0.00 H new ATOM 0 HD22 LEU A 87 8.527 -13.604 -14.422 1.00 0.00 H new ATOM 0 HD23 LEU A 87 8.450 -13.764 -16.192 1.00 0.00 H new ATOM 1474 N LEU A 88 9.676 -8.968 -16.647 1.00 0.00 N ATOM 1475 CA LEU A 88 8.938 -7.718 -16.573 1.00 0.00 C ATOM 1476 C LEU A 88 9.362 -6.812 -17.731 1.00 0.00 C ATOM 1477 O LEU A 88 10.552 -6.570 -17.932 1.00 0.00 O ATOM 1478 CB LEU A 88 9.109 -7.076 -15.195 1.00 0.00 C ATOM 1479 CG LEU A 88 8.992 -8.019 -13.996 1.00 0.00 C ATOM 1480 CD1 LEU A 88 10.197 -7.874 -13.065 1.00 0.00 C ATOM 1481 CD2 LEU A 88 7.668 -7.807 -13.259 1.00 0.00 C ATOM 0 H LEU A 88 10.682 -8.879 -16.504 1.00 0.00 H new ATOM 0 HA LEU A 88 7.869 -7.899 -16.684 1.00 0.00 H new ATOM 0 HB2 LEU A 88 10.086 -6.595 -15.159 1.00 0.00 H new ATOM 0 HB3 LEU A 88 8.362 -6.289 -15.087 1.00 0.00 H new ATOM 0 HG LEU A 88 8.993 -9.044 -14.366 1.00 0.00 H new ATOM 0 HD11 LEU A 88 10.089 -8.555 -12.221 1.00 0.00 H new ATOM 0 HD12 LEU A 88 11.109 -8.114 -13.611 1.00 0.00 H new ATOM 0 HD13 LEU A 88 10.253 -6.849 -12.699 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.610 -8.490 -12.411 1.00 0.00 H new ATOM 0 HD22 LEU A 88 7.611 -6.779 -12.902 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.838 -8.001 -13.938 1.00 0.00 H new ATOM 1493 N PRO A 89 8.340 -6.322 -18.482 1.00 0.00 N ATOM 1494 CA PRO A 89 8.594 -5.447 -19.614 1.00 0.00 C ATOM 1495 C PRO A 89 8.971 -4.040 -19.146 1.00 0.00 C ATOM 1496 O PRO A 89 8.105 -3.261 -18.750 1.00 0.00 O ATOM 1497 CB PRO A 89 7.313 -5.478 -20.431 1.00 0.00 C ATOM 1498 CG PRO A 89 6.233 -5.994 -19.494 1.00 0.00 C ATOM 1499 CD PRO A 89 6.919 -6.586 -18.273 1.00 0.00 C ATOM 0 HA PRO A 89 9.442 -5.774 -20.216 1.00 0.00 H new ATOM 0 HB2 PRO A 89 7.064 -4.485 -20.805 1.00 0.00 H new ATOM 0 HB3 PRO A 89 7.419 -6.128 -21.300 1.00 0.00 H new ATOM 0 HG2 PRO A 89 5.563 -5.185 -19.201 1.00 0.00 H new ATOM 0 HG3 PRO A 89 5.623 -6.748 -19.992 1.00 0.00 H new ATOM 0 HD2 PRO A 89 6.561 -6.122 -17.354 1.00 0.00 H new ATOM 0 HD3 PRO A 89 6.723 -7.655 -18.188 1.00 0.00 H new ATOM 1507 N GLY A 90 10.264 -3.757 -19.206 1.00 0.00 N ATOM 1508 CA GLY A 90 10.765 -2.457 -18.794 1.00 0.00 C ATOM 1509 C GLY A 90 12.032 -2.602 -17.947 1.00 0.00 C ATOM 1510 O GLY A 90 12.089 -2.112 -16.820 1.00 0.00 O ATOM 0 H GLY A 90 10.980 -4.406 -19.534 1.00 0.00 H new ATOM 0 HA2 GLY A 90 10.979 -1.850 -19.674 1.00 0.00 H new ATOM 0 HA3 GLY A 90 9.999 -1.932 -18.223 1.00 0.00 H new ATOM 1514 N ARG A 91 13.016 -3.277 -18.523 1.00 0.00 N ATOM 1515 CA ARG A 91 14.278 -3.492 -17.835 1.00 0.00 C ATOM 1516 C ARG A 91 15.179 -4.416 -18.656 1.00 0.00 C ATOM 1517 O ARG A 91 14.729 -5.028 -19.624 1.00 0.00 O ATOM 1518 CB ARG A 91 14.053 -4.107 -16.452 1.00 0.00 C ATOM 1519 CG ARG A 91 14.804 -3.322 -15.375 1.00 0.00 C ATOM 1520 CD ARG A 91 14.229 -1.912 -15.223 1.00 0.00 C ATOM 1521 NE ARG A 91 12.940 -1.966 -14.498 1.00 0.00 N ATOM 1522 CZ ARG A 91 12.141 -0.908 -14.307 1.00 0.00 C ATOM 1523 NH1 ARG A 91 12.493 0.293 -14.785 1.00 0.00 N ATOM 1524 NH2 ARG A 91 10.989 -1.051 -13.637 1.00 0.00 N ATOM 0 H ARG A 91 12.965 -3.682 -19.458 1.00 0.00 H new ATOM 0 HA ARG A 91 14.760 -2.522 -17.715 1.00 0.00 H new ATOM 0 HB2 ARG A 91 12.987 -4.117 -16.223 1.00 0.00 H new ATOM 0 HB3 ARG A 91 14.389 -5.144 -16.452 1.00 0.00 H new ATOM 0 HG2 ARG A 91 14.739 -3.850 -14.423 1.00 0.00 H new ATOM 0 HG3 ARG A 91 15.861 -3.262 -15.634 1.00 0.00 H new ATOM 0 HD2 ARG A 91 14.933 -1.280 -14.683 1.00 0.00 H new ATOM 0 HD3 ARG A 91 14.085 -1.461 -16.205 1.00 0.00 H new ATOM 0 HE ARG A 91 12.641 -2.865 -14.120 1.00 0.00 H new ATOM 0 HH11 ARG A 91 13.370 0.402 -15.295 1.00 0.00 H new ATOM 0 HH12 ARG A 91 11.884 1.098 -14.639 1.00 0.00 H new ATOM 0 HH21 ARG A 91 10.721 -1.965 -13.273 1.00 0.00 H new ATOM 0 HH22 ARG A 91 10.380 -0.246 -13.491 1.00 0.00 H new ATOM 1538 N THR A 92 16.435 -4.487 -18.241 1.00 0.00 N ATOM 1539 CA THR A 92 17.404 -5.326 -18.926 1.00 0.00 C ATOM 1540 C THR A 92 18.211 -6.143 -17.916 1.00 0.00 C ATOM 1541 O THR A 92 17.856 -6.209 -16.740 1.00 0.00 O ATOM 1542 CB THR A 92 18.269 -4.425 -19.809 1.00 0.00 C ATOM 1543 OG1 THR A 92 18.618 -3.337 -18.958 1.00 0.00 O ATOM 1544 CG2 THR A 92 17.470 -3.773 -20.940 1.00 0.00 C ATOM 0 H THR A 92 16.804 -3.977 -17.439 1.00 0.00 H new ATOM 0 HA THR A 92 16.911 -6.057 -19.567 1.00 0.00 H new ATOM 0 HB THR A 92 19.087 -5.008 -20.232 1.00 0.00 H new ATOM 0 HG1 THR A 92 19.589 -3.209 -18.973 1.00 0.00 H new ATOM 0 HG21 THR A 92 18.131 -3.144 -21.537 1.00 0.00 H new ATOM 0 HG22 THR A 92 17.037 -4.548 -21.573 1.00 0.00 H new ATOM 0 HG23 THR A 92 16.672 -3.162 -20.517 1.00 0.00 H new ATOM 1552 N ASP A 93 19.283 -6.745 -18.411 1.00 0.00 N ATOM 1553 CA ASP A 93 20.144 -7.554 -17.566 1.00 0.00 C ATOM 1554 C ASP A 93 20.952 -6.639 -16.643 1.00 0.00 C ATOM 1555 O ASP A 93 20.805 -6.695 -15.424 1.00 0.00 O ATOM 1556 CB ASP A 93 21.130 -8.370 -18.405 1.00 0.00 C ATOM 1557 CG ASP A 93 21.676 -7.652 -19.641 1.00 0.00 C ATOM 1558 OD1 ASP A 93 20.916 -7.566 -20.629 1.00 0.00 O ATOM 1559 OD2 ASP A 93 22.841 -7.205 -19.569 1.00 0.00 O ATOM 0 H ASP A 93 19.574 -6.688 -19.387 1.00 0.00 H new ATOM 0 HA ASP A 93 19.512 -8.232 -16.992 1.00 0.00 H new ATOM 0 HB2 ASP A 93 21.969 -8.661 -17.772 1.00 0.00 H new ATOM 0 HB3 ASP A 93 20.638 -9.289 -18.725 1.00 0.00 H new ATOM 1564 N ASN A 94 21.789 -5.819 -17.262 1.00 0.00 N ATOM 1565 CA ASN A 94 22.621 -4.894 -16.511 1.00 0.00 C ATOM 1566 C ASN A 94 21.765 -4.181 -15.462 1.00 0.00 C ATOM 1567 O ASN A 94 22.270 -3.773 -14.417 1.00 0.00 O ATOM 1568 CB ASN A 94 23.227 -3.830 -17.429 1.00 0.00 C ATOM 1569 CG ASN A 94 22.325 -3.568 -18.636 1.00 0.00 C ATOM 1570 OD1 ASN A 94 21.218 -3.068 -18.520 1.00 0.00 O ATOM 1571 ND2 ASN A 94 22.858 -3.934 -19.799 1.00 0.00 N ATOM 0 H ASN A 94 21.909 -5.776 -18.274 1.00 0.00 H new ATOM 0 HA ASN A 94 23.422 -5.465 -16.042 1.00 0.00 H new ATOM 0 HB2 ASN A 94 23.373 -2.904 -16.872 1.00 0.00 H new ATOM 0 HB3 ASN A 94 24.210 -4.155 -17.769 1.00 0.00 H new ATOM 0 HD21 ASN A 94 22.334 -3.802 -20.664 1.00 0.00 H new ATOM 0 HD22 ASN A 94 23.790 -4.347 -19.825 1.00 0.00 H new ATOM 1578 N ALA A 95 20.485 -4.052 -15.777 1.00 0.00 N ATOM 1579 CA ALA A 95 19.554 -3.396 -14.875 1.00 0.00 C ATOM 1580 C ALA A 95 19.403 -4.236 -13.605 1.00 0.00 C ATOM 1581 O ALA A 95 19.822 -3.819 -12.527 1.00 0.00 O ATOM 1582 CB ALA A 95 18.219 -3.175 -15.590 1.00 0.00 C ATOM 0 H ALA A 95 20.070 -4.391 -16.645 1.00 0.00 H new ATOM 0 HA ALA A 95 19.932 -2.417 -14.580 1.00 0.00 H new ATOM 0 HB1 ALA A 95 17.521 -2.683 -14.913 1.00 0.00 H new ATOM 0 HB2 ALA A 95 18.376 -2.548 -16.468 1.00 0.00 H new ATOM 0 HB3 ALA A 95 17.808 -4.136 -15.899 1.00 0.00 H new ATOM 1588 N VAL A 96 18.804 -5.406 -13.776 1.00 0.00 N ATOM 1589 CA VAL A 96 18.592 -6.308 -12.657 1.00 0.00 C ATOM 1590 C VAL A 96 19.939 -6.632 -12.007 1.00 0.00 C ATOM 1591 O VAL A 96 20.110 -6.454 -10.802 1.00 0.00 O ATOM 1592 CB VAL A 96 17.840 -7.555 -13.125 1.00 0.00 C ATOM 1593 CG1 VAL A 96 17.613 -8.527 -11.966 1.00 0.00 C ATOM 1594 CG2 VAL A 96 16.515 -7.178 -13.791 1.00 0.00 C ATOM 0 H VAL A 96 18.459 -5.750 -14.672 1.00 0.00 H new ATOM 0 HA VAL A 96 17.969 -5.835 -11.898 1.00 0.00 H new ATOM 0 HB VAL A 96 18.458 -8.059 -13.868 1.00 0.00 H new ATOM 0 HG11 VAL A 96 17.076 -9.404 -12.327 1.00 0.00 H new ATOM 0 HG12 VAL A 96 18.575 -8.834 -11.555 1.00 0.00 H new ATOM 0 HG13 VAL A 96 17.026 -8.037 -11.190 1.00 0.00 H new ATOM 0 HG21 VAL A 96 16.000 -8.083 -14.115 1.00 0.00 H new ATOM 0 HG22 VAL A 96 15.890 -6.640 -13.079 1.00 0.00 H new ATOM 0 HG23 VAL A 96 16.710 -6.543 -14.655 1.00 0.00 H new ATOM 1604 N LYS A 97 20.861 -7.102 -12.834 1.00 0.00 N ATOM 1605 CA LYS A 97 22.187 -7.453 -12.355 1.00 0.00 C ATOM 1606 C LYS A 97 22.623 -6.445 -11.289 1.00 0.00 C ATOM 1607 O LYS A 97 22.798 -6.803 -10.126 1.00 0.00 O ATOM 1608 CB LYS A 97 23.166 -7.572 -13.525 1.00 0.00 C ATOM 1609 CG LYS A 97 24.574 -7.907 -13.030 1.00 0.00 C ATOM 1610 CD LYS A 97 25.520 -8.170 -14.204 1.00 0.00 C ATOM 1611 CE LYS A 97 25.889 -6.866 -14.913 1.00 0.00 C ATOM 1612 NZ LYS A 97 27.333 -6.582 -14.757 1.00 0.00 N ATOM 0 H LYS A 97 20.716 -7.248 -13.833 1.00 0.00 H new ATOM 0 HA LYS A 97 22.173 -8.434 -11.880 1.00 0.00 H new ATOM 0 HB2 LYS A 97 22.825 -8.346 -14.212 1.00 0.00 H new ATOM 0 HB3 LYS A 97 23.186 -6.636 -14.084 1.00 0.00 H new ATOM 0 HG2 LYS A 97 24.957 -7.084 -12.427 1.00 0.00 H new ATOM 0 HG3 LYS A 97 24.537 -8.784 -12.384 1.00 0.00 H new ATOM 0 HD2 LYS A 97 26.424 -8.661 -13.844 1.00 0.00 H new ATOM 0 HD3 LYS A 97 25.047 -8.851 -14.911 1.00 0.00 H new ATOM 0 HE2 LYS A 97 25.639 -6.937 -15.971 1.00 0.00 H new ATOM 0 HE3 LYS A 97 25.304 -6.043 -14.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 27.567 -5.693 -15.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 27.562 -6.493 -13.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 27.886 -7.359 -15.171 1.00 0.00 H new ATOM 1626 N ASN A 98 22.785 -5.204 -11.725 1.00 0.00 N ATOM 1627 CA ASN A 98 23.196 -4.142 -10.824 1.00 0.00 C ATOM 1628 C ASN A 98 22.237 -4.089 -9.633 1.00 0.00 C ATOM 1629 O ASN A 98 22.671 -4.070 -8.482 1.00 0.00 O ATOM 1630 CB ASN A 98 23.158 -2.781 -11.522 1.00 0.00 C ATOM 1631 CG ASN A 98 24.109 -1.791 -10.846 1.00 0.00 C ATOM 1632 OD1 ASN A 98 23.886 -1.335 -9.737 1.00 0.00 O ATOM 1633 ND2 ASN A 98 25.179 -1.485 -11.575 1.00 0.00 N ATOM 0 H ASN A 98 22.639 -4.911 -12.691 1.00 0.00 H new ATOM 0 HA ASN A 98 24.215 -4.352 -10.499 1.00 0.00 H new ATOM 0 HB2 ASN A 98 23.434 -2.898 -12.570 1.00 0.00 H new ATOM 0 HB3 ASN A 98 22.142 -2.386 -11.502 1.00 0.00 H new ATOM 0 HD21 ASN A 98 25.874 -0.832 -11.212 1.00 0.00 H new ATOM 0 HD22 ASN A 98 25.305 -1.903 -12.497 1.00 0.00 H new ATOM 1640 N HIS A 99 20.951 -4.067 -9.951 1.00 0.00 N ATOM 1641 CA HIS A 99 19.927 -4.018 -8.921 1.00 0.00 C ATOM 1642 C HIS A 99 20.238 -5.051 -7.837 1.00 0.00 C ATOM 1643 O HIS A 99 19.825 -4.895 -6.689 1.00 0.00 O ATOM 1644 CB HIS A 99 18.535 -4.199 -9.530 1.00 0.00 C ATOM 1645 CG HIS A 99 17.410 -4.125 -8.525 1.00 0.00 C ATOM 1646 ND1 HIS A 99 17.486 -3.367 -7.370 1.00 0.00 N ATOM 1647 CD2 HIS A 99 16.183 -4.721 -8.515 1.00 0.00 C ATOM 1648 CE1 HIS A 99 16.351 -3.509 -6.702 1.00 0.00 C ATOM 1649 NE2 HIS A 99 15.545 -4.348 -7.413 1.00 0.00 N ATOM 0 H HIS A 99 20.595 -4.082 -10.907 1.00 0.00 H new ATOM 0 HA HIS A 99 19.929 -3.036 -8.449 1.00 0.00 H new ATOM 0 HB2 HIS A 99 18.380 -3.433 -10.290 1.00 0.00 H new ATOM 0 HB3 HIS A 99 18.494 -5.164 -10.036 1.00 0.00 H new ATOM 0 HD2 HIS A 99 15.796 -5.384 -9.275 1.00 0.00 H new ATOM 0 HE1 HIS A 99 16.107 -3.042 -5.759 1.00 0.00 H new ATOM 0 HE2 HIS A 99 14.606 -4.641 -7.142 1.00 0.00 H new ATOM 1657 N TRP A 100 20.964 -6.083 -8.239 1.00 0.00 N ATOM 1658 CA TRP A 100 21.336 -7.142 -7.316 1.00 0.00 C ATOM 1659 C TRP A 100 22.251 -6.539 -6.249 1.00 0.00 C ATOM 1660 O TRP A 100 21.861 -6.415 -5.089 1.00 0.00 O ATOM 1661 CB TRP A 100 21.976 -8.317 -8.058 1.00 0.00 C ATOM 1662 CG TRP A 100 21.695 -9.681 -7.425 1.00 0.00 C ATOM 1663 CD1 TRP A 100 22.576 -10.636 -7.097 1.00 0.00 C ATOM 1664 CD2 TRP A 100 20.404 -10.206 -7.053 1.00 0.00 C ATOM 1665 NE1 TRP A 100 21.950 -11.734 -6.544 1.00 0.00 N ATOM 1666 CE2 TRP A 100 20.587 -11.464 -6.516 1.00 0.00 C ATOM 1667 CE3 TRP A 100 19.123 -9.637 -7.166 1.00 0.00 C ATOM 1668 CZ2 TRP A 100 19.533 -12.260 -6.051 1.00 0.00 C ATOM 1669 CZ3 TRP A 100 18.080 -10.445 -6.697 1.00 0.00 C ATOM 1670 CH2 TRP A 100 18.248 -11.714 -6.154 1.00 0.00 C ATOM 0 H TRP A 100 21.305 -6.209 -9.192 1.00 0.00 H new ATOM 0 HA TRP A 100 20.454 -7.554 -6.826 1.00 0.00 H new ATOM 0 HB2 TRP A 100 21.615 -8.324 -9.086 1.00 0.00 H new ATOM 0 HB3 TRP A 100 23.054 -8.163 -8.100 1.00 0.00 H new ATOM 0 HD1 TRP A 100 23.643 -10.556 -7.247 1.00 0.00 H new ATOM 0 HE1 TRP A 100 22.404 -12.587 -6.216 1.00 0.00 H new ATOM 0 HE3 TRP A 100 18.957 -8.654 -7.582 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 19.702 -13.242 -5.635 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 17.075 -10.055 -6.762 1.00 0.00 H new ATOM 0 HH2 TRP A 100 17.391 -12.276 -5.813 1.00 0.00 H new ATOM 1681 N ASN A 101 23.452 -6.180 -6.679 1.00 0.00 N ATOM 1682 CA ASN A 101 24.426 -5.593 -5.774 1.00 0.00 C ATOM 1683 C ASN A 101 23.934 -4.216 -5.326 1.00 0.00 C ATOM 1684 O ASN A 101 24.563 -3.570 -4.489 1.00 0.00 O ATOM 1685 CB ASN A 101 25.779 -5.409 -6.465 1.00 0.00 C ATOM 1686 CG ASN A 101 26.466 -6.757 -6.692 1.00 0.00 C ATOM 1687 OD1 ASN A 101 26.879 -7.437 -5.767 1.00 0.00 O ATOM 1688 ND2 ASN A 101 26.565 -7.105 -7.972 1.00 0.00 N ATOM 0 H ASN A 101 23.773 -6.284 -7.642 1.00 0.00 H new ATOM 0 HA ASN A 101 24.543 -6.264 -4.923 1.00 0.00 H new ATOM 0 HB2 ASN A 101 25.638 -4.903 -7.420 1.00 0.00 H new ATOM 0 HB3 ASN A 101 26.418 -4.769 -5.857 1.00 0.00 H new ATOM 0 HD21 ASN A 101 27.008 -7.988 -8.228 1.00 0.00 H new ATOM 0 HD22 ASN A 101 26.198 -6.489 -8.698 1.00 0.00 H new ATOM 1695 N SER A 102 22.813 -3.806 -5.902 1.00 0.00 N ATOM 1696 CA SER A 102 22.229 -2.518 -5.572 1.00 0.00 C ATOM 1697 C SER A 102 21.621 -2.563 -4.169 1.00 0.00 C ATOM 1698 O SER A 102 22.233 -2.099 -3.208 1.00 0.00 O ATOM 1699 CB SER A 102 21.168 -2.115 -6.598 1.00 0.00 C ATOM 1700 OG SER A 102 21.721 -1.949 -7.901 1.00 0.00 O ATOM 0 H SER A 102 22.294 -4.344 -6.596 1.00 0.00 H new ATOM 0 HA SER A 102 23.020 -1.768 -5.594 1.00 0.00 H new ATOM 0 HB2 SER A 102 20.387 -2.875 -6.630 1.00 0.00 H new ATOM 0 HB3 SER A 102 20.695 -1.185 -6.284 1.00 0.00 H new ATOM 0 HG SER A 102 22.539 -2.483 -7.980 1.00 0.00 H new ATOM 1706 N THR A 103 20.423 -3.125 -4.096 1.00 0.00 N ATOM 1707 CA THR A 103 19.725 -3.237 -2.826 1.00 0.00 C ATOM 1708 C THR A 103 19.361 -4.696 -2.544 1.00 0.00 C ATOM 1709 O THR A 103 19.000 -5.043 -1.421 1.00 0.00 O ATOM 1710 CB THR A 103 18.512 -2.305 -2.870 1.00 0.00 C ATOM 1711 OG1 THR A 103 19.028 -1.044 -2.453 1.00 0.00 O ATOM 1712 CG2 THR A 103 17.469 -2.652 -1.806 1.00 0.00 C ATOM 0 H THR A 103 19.918 -3.508 -4.895 1.00 0.00 H new ATOM 0 HA THR A 103 20.361 -2.928 -1.996 1.00 0.00 H new ATOM 0 HB THR A 103 18.053 -2.353 -3.857 1.00 0.00 H new ATOM 0 HG1 THR A 103 18.308 -0.379 -2.454 1.00 0.00 H new ATOM 0 HG21 THR A 103 16.629 -1.961 -1.881 1.00 0.00 H new ATOM 0 HG22 THR A 103 17.115 -3.671 -1.962 1.00 0.00 H new ATOM 0 HG23 THR A 103 17.918 -2.572 -0.816 1.00 0.00 H new ATOM 1720 N ILE A 104 19.469 -5.510 -3.584 1.00 0.00 N ATOM 1721 CA ILE A 104 19.156 -6.924 -3.462 1.00 0.00 C ATOM 1722 C ILE A 104 20.423 -7.692 -3.082 1.00 0.00 C ATOM 1723 O ILE A 104 20.592 -8.847 -3.468 1.00 0.00 O ATOM 1724 CB ILE A 104 18.486 -7.436 -4.738 1.00 0.00 C ATOM 1725 CG1 ILE A 104 17.593 -6.360 -5.359 1.00 0.00 C ATOM 1726 CG2 ILE A 104 17.719 -8.734 -4.473 1.00 0.00 C ATOM 1727 CD1 ILE A 104 17.149 -6.760 -6.767 1.00 0.00 C ATOM 0 H ILE A 104 19.769 -5.218 -4.514 1.00 0.00 H new ATOM 0 HA ILE A 104 18.433 -7.086 -2.663 1.00 0.00 H new ATOM 0 HB ILE A 104 19.266 -7.665 -5.464 1.00 0.00 H new ATOM 0 HG12 ILE A 104 16.718 -6.201 -4.729 1.00 0.00 H new ATOM 0 HG13 ILE A 104 18.132 -5.414 -5.399 1.00 0.00 H new ATOM 0 HG21 ILE A 104 17.252 -9.076 -5.397 1.00 0.00 H new ATOM 0 HG22 ILE A 104 18.408 -9.497 -4.111 1.00 0.00 H new ATOM 0 HG23 ILE A 104 16.949 -8.555 -3.722 1.00 0.00 H new ATOM 0 HD11 ILE A 104 16.516 -5.978 -7.185 1.00 0.00 H new ATOM 0 HD12 ILE A 104 18.026 -6.894 -7.401 1.00 0.00 H new ATOM 0 HD13 ILE A 104 16.589 -7.694 -6.720 1.00 0.00 H new ATOM 1739 N LYS A 105 21.281 -7.019 -2.329 1.00 0.00 N ATOM 1740 CA LYS A 105 22.528 -7.624 -1.893 1.00 0.00 C ATOM 1741 C LYS A 105 22.916 -7.054 -0.527 1.00 0.00 C ATOM 1742 O LYS A 105 23.259 -5.878 -0.416 1.00 0.00 O ATOM 1743 CB LYS A 105 23.610 -7.451 -2.961 1.00 0.00 C ATOM 1744 CG LYS A 105 23.378 -8.403 -4.136 1.00 0.00 C ATOM 1745 CD LYS A 105 23.563 -9.859 -3.707 1.00 0.00 C ATOM 1746 CE LYS A 105 24.847 -10.446 -4.295 1.00 0.00 C ATOM 1747 NZ LYS A 105 25.337 -11.564 -3.458 1.00 0.00 N ATOM 0 H LYS A 105 21.137 -6.061 -2.010 1.00 0.00 H new ATOM 0 HA LYS A 105 22.406 -8.700 -1.767 1.00 0.00 H new ATOM 0 HB2 LYS A 105 23.612 -6.421 -3.318 1.00 0.00 H new ATOM 0 HB3 LYS A 105 24.591 -7.639 -2.524 1.00 0.00 H new ATOM 0 HG2 LYS A 105 22.372 -8.261 -4.530 1.00 0.00 H new ATOM 0 HG3 LYS A 105 24.072 -8.167 -4.942 1.00 0.00 H new ATOM 0 HD2 LYS A 105 23.596 -9.920 -2.619 1.00 0.00 H new ATOM 0 HD3 LYS A 105 22.707 -10.449 -4.033 1.00 0.00 H new ATOM 0 HE2 LYS A 105 24.661 -10.798 -5.310 1.00 0.00 H new ATOM 0 HE3 LYS A 105 25.611 -9.671 -4.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 26.209 -11.951 -3.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 25.533 -11.218 -2.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 24.613 -12.310 -3.416 1.00 0.00 H new ATOM 1761 N ARG A 106 22.849 -7.915 0.478 1.00 0.00 N ATOM 1762 CA ARG A 106 23.189 -7.512 1.832 1.00 0.00 C ATOM 1763 C ARG A 106 24.706 -7.379 1.982 1.00 0.00 C ATOM 1764 O ARG A 106 25.223 -6.274 2.139 1.00 0.00 O ATOM 1765 CB ARG A 106 22.669 -8.525 2.855 1.00 0.00 C ATOM 1766 CG ARG A 106 21.180 -8.310 3.132 1.00 0.00 C ATOM 1767 CD ARG A 106 20.359 -9.522 2.687 1.00 0.00 C ATOM 1768 NE ARG A 106 20.121 -9.464 1.227 1.00 0.00 N ATOM 1769 CZ ARG A 106 19.191 -10.186 0.589 1.00 0.00 C ATOM 1770 NH1 ARG A 106 18.406 -11.026 1.277 1.00 0.00 N ATOM 1771 NH2 ARG A 106 19.046 -10.069 -0.738 1.00 0.00 N ATOM 0 H ARG A 106 22.564 -8.890 0.382 1.00 0.00 H new ATOM 0 HA ARG A 106 22.716 -6.548 2.019 1.00 0.00 H new ATOM 0 HB2 ARG A 106 22.831 -9.537 2.484 1.00 0.00 H new ATOM 0 HB3 ARG A 106 23.232 -8.431 3.783 1.00 0.00 H new ATOM 0 HG2 ARG A 106 21.026 -8.133 4.197 1.00 0.00 H new ATOM 0 HG3 ARG A 106 20.834 -7.419 2.608 1.00 0.00 H new ATOM 0 HD2 ARG A 106 20.886 -10.442 2.942 1.00 0.00 H new ATOM 0 HD3 ARG A 106 19.408 -9.542 3.218 1.00 0.00 H new ATOM 0 HE ARG A 106 20.702 -8.835 0.672 1.00 0.00 H new ATOM 0 HH11 ARG A 106 18.517 -11.116 2.287 1.00 0.00 H new ATOM 0 HH12 ARG A 106 17.698 -11.576 0.791 1.00 0.00 H new ATOM 0 HH21 ARG A 106 19.644 -9.430 -1.262 1.00 0.00 H new ATOM 0 HH22 ARG A 106 18.338 -10.619 -1.224 1.00 0.00 H new ATOM 1785 N LYS A 107 25.376 -8.520 1.927 1.00 0.00 N ATOM 1786 CA LYS A 107 26.823 -8.545 2.054 1.00 0.00 C ATOM 1787 C LYS A 107 27.451 -7.922 0.806 1.00 0.00 C ATOM 1788 O LYS A 107 27.941 -8.634 -0.069 1.00 0.00 O ATOM 1789 CB LYS A 107 27.311 -9.966 2.344 1.00 0.00 C ATOM 1790 CG LYS A 107 28.745 -10.165 1.848 1.00 0.00 C ATOM 1791 CD LYS A 107 29.569 -10.965 2.859 1.00 0.00 C ATOM 1792 CE LYS A 107 31.067 -10.738 2.646 1.00 0.00 C ATOM 1793 NZ LYS A 107 31.803 -12.019 2.738 1.00 0.00 N ATOM 0 H LYS A 107 24.944 -9.434 1.796 1.00 0.00 H new ATOM 0 HA LYS A 107 27.141 -7.943 2.906 1.00 0.00 H new ATOM 0 HB2 LYS A 107 27.263 -10.159 3.416 1.00 0.00 H new ATOM 0 HB3 LYS A 107 26.652 -10.687 1.860 1.00 0.00 H new ATOM 0 HG2 LYS A 107 28.733 -10.685 0.890 1.00 0.00 H new ATOM 0 HG3 LYS A 107 29.213 -9.195 1.678 1.00 0.00 H new ATOM 0 HD2 LYS A 107 29.293 -10.672 3.872 1.00 0.00 H new ATOM 0 HD3 LYS A 107 29.341 -12.026 2.761 1.00 0.00 H new ATOM 0 HE2 LYS A 107 31.237 -10.283 1.670 1.00 0.00 H new ATOM 0 HE3 LYS A 107 31.445 -10.040 3.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 32.818 -11.847 2.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 31.655 -12.438 3.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 31.454 -12.673 2.009 1.00 0.00 H new ATOM 1807 N VAL A 108 27.417 -6.598 0.764 1.00 0.00 N ATOM 1808 CA VAL A 108 27.976 -5.870 -0.363 1.00 0.00 C ATOM 1809 C VAL A 108 28.478 -4.506 0.116 1.00 0.00 C ATOM 1810 O VAL A 108 29.590 -4.098 -0.217 1.00 0.00 O ATOM 1811 CB VAL A 108 26.942 -5.766 -1.485 1.00 0.00 C ATOM 1812 CG1 VAL A 108 26.515 -4.314 -1.705 1.00 0.00 C ATOM 1813 CG2 VAL A 108 27.474 -6.384 -2.780 1.00 0.00 C ATOM 0 H VAL A 108 27.011 -6.010 1.492 1.00 0.00 H new ATOM 0 HA VAL A 108 28.831 -6.405 -0.777 1.00 0.00 H new ATOM 0 HB VAL A 108 26.061 -6.331 -1.182 1.00 0.00 H new ATOM 0 HG11 VAL A 108 25.779 -4.269 -2.508 1.00 0.00 H new ATOM 0 HG12 VAL A 108 26.076 -3.921 -0.788 1.00 0.00 H new ATOM 0 HG13 VAL A 108 27.385 -3.716 -1.976 1.00 0.00 H new ATOM 0 HG21 VAL A 108 26.719 -6.297 -3.562 1.00 0.00 H new ATOM 0 HG22 VAL A 108 28.378 -5.860 -3.089 1.00 0.00 H new ATOM 0 HG23 VAL A 108 27.704 -7.436 -2.613 1.00 0.00 H new ATOM 1823 N ASP A 109 27.634 -3.838 0.888 1.00 0.00 N ATOM 1824 CA ASP A 109 27.978 -2.529 1.415 1.00 0.00 C ATOM 1825 C ASP A 109 27.222 -2.297 2.725 1.00 0.00 C ATOM 1826 O ASP A 109 26.266 -1.524 2.766 1.00 0.00 O ATOM 1827 CB ASP A 109 27.581 -1.420 0.438 1.00 0.00 C ATOM 1828 CG ASP A 109 28.288 -0.081 0.658 1.00 0.00 C ATOM 1829 OD1 ASP A 109 29.372 0.094 0.060 1.00 0.00 O ATOM 1830 OD2 ASP A 109 27.729 0.737 1.420 1.00 0.00 O ATOM 0 H ASP A 109 26.712 -4.179 1.161 1.00 0.00 H new ATOM 0 HA ASP A 109 29.056 -2.502 1.573 1.00 0.00 H new ATOM 0 HB2 ASP A 109 27.787 -1.760 -0.577 1.00 0.00 H new ATOM 0 HB3 ASP A 109 26.505 -1.262 0.509 1.00 0.00 H new ATOM 1835 N THR A 110 27.680 -2.980 3.764 1.00 0.00 N ATOM 1836 CA THR A 110 27.059 -2.858 5.072 1.00 0.00 C ATOM 1837 C THR A 110 26.825 -1.386 5.416 1.00 0.00 C ATOM 1838 O THR A 110 26.205 -1.073 6.431 1.00 0.00 O ATOM 1839 CB THR A 110 27.945 -3.586 6.086 1.00 0.00 C ATOM 1840 OG1 THR A 110 27.138 -3.667 7.257 1.00 0.00 O ATOM 1841 CG2 THR A 110 29.148 -2.746 6.520 1.00 0.00 C ATOM 0 H THR A 110 28.474 -3.620 3.727 1.00 0.00 H new ATOM 0 HA THR A 110 26.073 -3.323 5.087 1.00 0.00 H new ATOM 0 HB THR A 110 28.293 -4.525 5.656 1.00 0.00 H new ATOM 0 HG1 THR A 110 26.658 -2.822 7.383 1.00 0.00 H new ATOM 0 HG21 THR A 110 29.744 -3.308 7.239 1.00 0.00 H new ATOM 0 HG22 THR A 110 29.759 -2.509 5.649 1.00 0.00 H new ATOM 0 HG23 THR A 110 28.799 -1.822 6.981 1.00 0.00 H new TER 1849 THR A 110