USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 668 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 3 SER OG : rot 94:sc= 0.139 USER MOD Set 1.2: A 74 ASN : amide:sc= 0.102 K(o=0.24,f=-4.3!) USER MOD Set 2.1: A 65 ASN :FLIP amide:sc= -0.336 F(o=-3.1!,f=0.41) USER MOD Set 2.2: A 70 TYR OH : rot 151:sc= 0.746 USER MOD Set 3.1: A 20 ASN : amide:sc= -0.411 X(o=-4.6,f=-4.1) USER MOD Set 3.2: A 22 GLN : amide:sc= -4.14! C(o=-4.6!,f=-8.5!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN :FLIP amide:sc= -0.0449 F(o=-1.4,f=-0.045) USER MOD Single : A 10 ASN :FLIP amide:sc= -2.79! C(o=-3.5!,f=-2.8!) USER MOD Single : A 11 MET CE :methyl -134:sc= -0.93 (180deg=-3.8!) USER MOD Single : A 12 GLN : amide:sc= -1.66! C(o=-1.7!,f=-3.2!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot -154:sc= 1.4 USER MOD Single : A 18 LYS NZ :NH3+ 150:sc= -2.59! (180deg=-5.19!) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.0167 USER MOD Single : A 33 GLN :FLIP amide:sc= -0.774 F(o=-1.9!,f=-0.77) USER MOD Single : A 35 SER OG : rot -55:sc= 1.26 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -117:sc= 0.0383 (180deg=-0.639) USER MOD Single : A 42 HIS : no HD1:sc= -0.424 X(o=-0.42,f=-0.038) USER MOD Single : A 45 THR OG1 : rot -63:sc= -0.883 USER MOD Single : A 47 MET CE :methyl 140:sc= -0.571 (180deg=-2.14!) USER MOD Single : A 51 LYS NZ :NH3+ 161:sc= 1.39 (180deg=1.03) USER MOD Single : A 52 GLN : amide:sc= -1.98 K(o=-2,f=-6.2!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -1.22 X(o=-1.2,f=-1.2) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0447) USER MOD Single : A 64 SER OG : rot -30:sc= 0.115 USER MOD Single : A 66 SER OG : rot 180:sc= -0.439 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 ASN :FLIP amide:sc= -0.0123 F(o=-1.1,f=-0.012) USER MOD Single : A 72 MET CE :methyl -146:sc= -0.798 (180deg=-1.03) USER MOD Single : A 79 HIS : no HD1:sc= -0.349 X(o=-0.35,f=-0.0074) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 0.632 -1.080 -0.877 1.00 0.00 N ATOM 2 CA PRO A 1 1.651 -0.916 -1.936 1.00 0.00 C ATOM 3 C PRO A 1 1.759 -2.202 -2.739 1.00 0.00 C ATOM 4 O PRO A 1 0.996 -3.139 -2.506 1.00 0.00 O ATOM 5 CB PRO A 1 2.987 -0.578 -1.292 1.00 0.00 C ATOM 6 CG PRO A 1 2.748 -0.822 0.154 1.00 0.00 C ATOM 7 CD PRO A 1 1.266 -0.632 0.378 1.00 0.00 C ATOM 0 H2 PRO A 1 0.333 -2.053 -0.807 1.00 0.00 H new ATOM 0 H3 PRO A 1 -0.200 -0.526 -1.083 1.00 0.00 H new ATOM 0 HA PRO A 1 1.365 -0.107 -2.609 1.00 0.00 H new ATOM 0 HB2 PRO A 1 3.789 -1.207 -1.678 1.00 0.00 H new ATOM 0 HB3 PRO A 1 3.274 0.456 -1.482 1.00 0.00 H new ATOM 0 HG2 PRO A 1 3.057 -1.829 0.435 1.00 0.00 H new ATOM 0 HG3 PRO A 1 3.326 -0.129 0.766 1.00 0.00 H new ATOM 0 HD2 PRO A 1 0.917 -1.218 1.228 1.00 0.00 H new ATOM 0 HD3 PRO A 1 1.029 0.411 0.590 1.00 0.00 H new ATOM 17 N VAL A 2 2.704 -2.256 -3.669 1.00 0.00 N ATOM 18 CA VAL A 2 2.861 -3.426 -4.517 1.00 0.00 C ATOM 19 C VAL A 2 4.292 -3.933 -4.460 1.00 0.00 C ATOM 20 O VAL A 2 5.223 -3.174 -4.180 1.00 0.00 O ATOM 21 CB VAL A 2 2.480 -3.144 -5.990 1.00 0.00 C ATOM 22 CG1 VAL A 2 1.083 -2.572 -6.084 1.00 0.00 C ATOM 23 CG2 VAL A 2 3.486 -2.224 -6.657 1.00 0.00 C ATOM 0 H VAL A 2 3.370 -1.506 -3.853 1.00 0.00 H new ATOM 0 HA VAL A 2 2.179 -4.184 -4.133 1.00 0.00 H new ATOM 0 HB VAL A 2 2.497 -4.094 -6.523 1.00 0.00 H new ATOM 0 HG11 VAL A 2 0.837 -2.382 -7.129 1.00 0.00 H new ATOM 0 HG12 VAL A 2 0.370 -3.283 -5.667 1.00 0.00 H new ATOM 0 HG13 VAL A 2 1.034 -1.638 -5.524 1.00 0.00 H new ATOM 0 HG21 VAL A 2 3.188 -2.047 -7.690 1.00 0.00 H new ATOM 0 HG22 VAL A 2 3.522 -1.275 -6.122 1.00 0.00 H new ATOM 0 HG23 VAL A 2 4.472 -2.688 -6.638 1.00 0.00 H new ATOM 33 N SER A 3 4.461 -5.218 -4.706 1.00 0.00 N ATOM 34 CA SER A 3 5.776 -5.817 -4.698 1.00 0.00 C ATOM 35 C SER A 3 6.446 -5.621 -6.050 1.00 0.00 C ATOM 36 O SER A 3 5.894 -5.982 -7.090 1.00 0.00 O ATOM 37 CB SER A 3 5.683 -7.306 -4.356 1.00 0.00 C ATOM 38 OG SER A 3 5.032 -7.506 -3.111 1.00 0.00 O ATOM 0 H SER A 3 3.701 -5.866 -4.914 1.00 0.00 H new ATOM 0 HA SER A 3 6.380 -5.328 -3.934 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.139 -7.829 -5.142 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.684 -7.737 -4.320 1.00 0.00 H new ATOM 0 HG SER A 3 4.076 -7.658 -3.263 1.00 0.00 H new ATOM 44 N ILE A 4 7.623 -5.034 -6.027 1.00 0.00 N ATOM 45 CA ILE A 4 8.387 -4.791 -7.234 1.00 0.00 C ATOM 46 C ILE A 4 9.766 -5.408 -7.115 1.00 0.00 C ATOM 47 O ILE A 4 10.412 -5.315 -6.071 1.00 0.00 O ATOM 48 CB ILE A 4 8.524 -3.291 -7.540 1.00 0.00 C ATOM 49 CG1 ILE A 4 8.682 -2.494 -6.249 1.00 0.00 C ATOM 50 CG2 ILE A 4 7.330 -2.799 -8.340 1.00 0.00 C ATOM 51 CD1 ILE A 4 8.933 -1.026 -6.480 1.00 0.00 C ATOM 0 H ILE A 4 8.078 -4.712 -5.173 1.00 0.00 H new ATOM 0 HA ILE A 4 7.842 -5.254 -8.057 1.00 0.00 H new ATOM 0 HB ILE A 4 9.420 -3.141 -8.142 1.00 0.00 H new ATOM 0 HG12 ILE A 4 7.782 -2.611 -5.646 1.00 0.00 H new ATOM 0 HG13 ILE A 4 9.508 -2.910 -5.672 1.00 0.00 H new ATOM 0 HG21 ILE A 4 7.444 -1.735 -8.547 1.00 0.00 H new ATOM 0 HG22 ILE A 4 7.271 -3.348 -9.280 1.00 0.00 H new ATOM 0 HG23 ILE A 4 6.417 -2.961 -7.767 1.00 0.00 H new ATOM 0 HD11 ILE A 4 9.036 -0.519 -5.521 1.00 0.00 H new ATOM 0 HD12 ILE A 4 9.849 -0.900 -7.057 1.00 0.00 H new ATOM 0 HD13 ILE A 4 8.096 -0.596 -7.030 1.00 0.00 H new ATOM 63 N LYS A 5 10.208 -6.044 -8.177 1.00 0.00 N ATOM 64 CA LYS A 5 11.478 -6.738 -8.164 1.00 0.00 C ATOM 65 C LYS A 5 12.416 -6.123 -9.177 1.00 0.00 C ATOM 66 O LYS A 5 11.986 -5.662 -10.231 1.00 0.00 O ATOM 67 CB LYS A 5 11.281 -8.210 -8.494 1.00 0.00 C ATOM 68 CG LYS A 5 10.121 -8.840 -7.755 1.00 0.00 C ATOM 69 CD LYS A 5 9.566 -10.006 -8.534 1.00 0.00 C ATOM 70 CE LYS A 5 8.100 -10.224 -8.224 1.00 0.00 C ATOM 71 NZ LYS A 5 7.900 -10.934 -6.934 1.00 0.00 N ATOM 0 H LYS A 5 9.706 -6.095 -9.063 1.00 0.00 H new ATOM 0 HA LYS A 5 11.908 -6.648 -7.167 1.00 0.00 H new ATOM 0 HB2 LYS A 5 11.120 -8.316 -9.567 1.00 0.00 H new ATOM 0 HB3 LYS A 5 12.194 -8.754 -8.254 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.449 -9.176 -6.771 1.00 0.00 H new ATOM 0 HG3 LYS A 5 9.339 -8.098 -7.594 1.00 0.00 H new ATOM 0 HD2 LYS A 5 9.692 -9.826 -9.602 1.00 0.00 H new ATOM 0 HD3 LYS A 5 10.129 -10.908 -8.294 1.00 0.00 H new ATOM 0 HE2 LYS A 5 7.590 -9.261 -8.190 1.00 0.00 H new ATOM 0 HE3 LYS A 5 7.642 -10.799 -9.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 6.882 -11.062 -6.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 8.364 -11.864 -6.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 8.314 -10.374 -6.162 1.00 0.00 H new ATOM 85 N VAL A 6 13.688 -6.123 -8.858 1.00 0.00 N ATOM 86 CA VAL A 6 14.698 -5.652 -9.778 1.00 0.00 C ATOM 87 C VAL A 6 15.714 -6.759 -10.014 1.00 0.00 C ATOM 88 O VAL A 6 16.531 -7.068 -9.142 1.00 0.00 O ATOM 89 CB VAL A 6 15.418 -4.384 -9.262 1.00 0.00 C ATOM 90 CG1 VAL A 6 16.425 -3.887 -10.287 1.00 0.00 C ATOM 91 CG2 VAL A 6 14.413 -3.290 -8.925 1.00 0.00 C ATOM 0 H VAL A 6 14.051 -6.446 -7.961 1.00 0.00 H new ATOM 0 HA VAL A 6 14.201 -5.384 -10.710 1.00 0.00 H new ATOM 0 HB VAL A 6 15.955 -4.645 -8.350 1.00 0.00 H new ATOM 0 HG11 VAL A 6 16.921 -2.994 -9.906 1.00 0.00 H new ATOM 0 HG12 VAL A 6 17.167 -4.663 -10.474 1.00 0.00 H new ATOM 0 HG13 VAL A 6 15.909 -3.647 -11.217 1.00 0.00 H new ATOM 0 HG21 VAL A 6 14.942 -2.408 -8.564 1.00 0.00 H new ATOM 0 HG22 VAL A 6 13.844 -3.031 -9.818 1.00 0.00 H new ATOM 0 HG23 VAL A 6 13.733 -3.647 -8.151 1.00 0.00 H new ATOM 101 N GLN A 7 15.631 -7.374 -11.179 1.00 0.00 N ATOM 102 CA GLN A 7 16.528 -8.450 -11.536 1.00 0.00 C ATOM 103 C GLN A 7 17.910 -7.892 -11.809 1.00 0.00 C ATOM 104 O GLN A 7 18.149 -7.277 -12.845 1.00 0.00 O ATOM 105 CB GLN A 7 16.003 -9.198 -12.762 1.00 0.00 C ATOM 106 CG GLN A 7 16.209 -10.698 -12.691 1.00 0.00 C ATOM 107 CD GLN A 7 17.663 -11.099 -12.812 1.00 0.00 C ATOM 108 OE1 GLN A 7 18.382 -10.966 -11.717 1.00 0.00 O flip ATOM 109 NE2 GLN A 7 18.140 -11.455 -13.888 1.00 0.00 N flip ATOM 0 H GLN A 7 14.945 -7.142 -11.897 1.00 0.00 H new ATOM 0 HA GLN A 7 16.586 -9.154 -10.706 1.00 0.00 H new ATOM 0 HB2 GLN A 7 14.939 -8.991 -12.876 1.00 0.00 H new ATOM 0 HB3 GLN A 7 16.500 -8.813 -13.653 1.00 0.00 H new ATOM 0 HG2 GLN A 7 15.812 -11.070 -11.746 1.00 0.00 H new ATOM 0 HG3 GLN A 7 15.638 -11.176 -13.487 1.00 0.00 H new ATOM 0 HE21 GLN A 7 17.540 -11.543 -14.708 1.00 0.00 H new ATOM 0 HE22 GLN A 7 19.136 -11.663 -13.961 1.00 0.00 H new ATOM 118 N VAL A 8 18.803 -8.090 -10.860 1.00 0.00 N ATOM 119 CA VAL A 8 20.159 -7.611 -10.979 1.00 0.00 C ATOM 120 C VAL A 8 20.949 -8.488 -11.946 1.00 0.00 C ATOM 121 O VAL A 8 20.969 -9.707 -11.802 1.00 0.00 O ATOM 122 CB VAL A 8 20.848 -7.594 -9.598 1.00 0.00 C ATOM 123 CG1 VAL A 8 22.324 -7.289 -9.726 1.00 0.00 C ATOM 124 CG2 VAL A 8 20.173 -6.590 -8.679 1.00 0.00 C ATOM 0 H VAL A 8 18.607 -8.585 -9.990 1.00 0.00 H new ATOM 0 HA VAL A 8 20.131 -6.594 -11.369 1.00 0.00 H new ATOM 0 HB VAL A 8 20.749 -8.588 -9.161 1.00 0.00 H new ATOM 0 HG11 VAL A 8 22.782 -7.284 -8.737 1.00 0.00 H new ATOM 0 HG12 VAL A 8 22.801 -8.051 -10.343 1.00 0.00 H new ATOM 0 HG13 VAL A 8 22.455 -6.312 -10.191 1.00 0.00 H new ATOM 0 HG21 VAL A 8 20.672 -6.591 -7.710 1.00 0.00 H new ATOM 0 HG22 VAL A 8 20.237 -5.595 -9.118 1.00 0.00 H new ATOM 0 HG23 VAL A 8 19.126 -6.863 -8.549 1.00 0.00 H new ATOM 134 N PRO A 9 21.609 -7.880 -12.944 1.00 0.00 N ATOM 135 CA PRO A 9 22.365 -8.627 -13.943 1.00 0.00 C ATOM 136 C PRO A 9 23.551 -9.359 -13.328 1.00 0.00 C ATOM 137 O PRO A 9 24.107 -8.935 -12.308 1.00 0.00 O ATOM 138 CB PRO A 9 22.839 -7.555 -14.929 1.00 0.00 C ATOM 139 CG PRO A 9 22.798 -6.281 -14.163 1.00 0.00 C ATOM 140 CD PRO A 9 21.681 -6.426 -13.170 1.00 0.00 C ATOM 0 HA PRO A 9 21.761 -9.402 -14.415 1.00 0.00 H new ATOM 0 HB2 PRO A 9 23.846 -7.767 -15.288 1.00 0.00 H new ATOM 0 HB3 PRO A 9 22.191 -7.510 -15.804 1.00 0.00 H new ATOM 0 HG2 PRO A 9 23.747 -6.100 -13.658 1.00 0.00 H new ATOM 0 HG3 PRO A 9 22.622 -5.434 -14.826 1.00 0.00 H new ATOM 0 HD2 PRO A 9 21.892 -5.886 -12.247 1.00 0.00 H new ATOM 0 HD3 PRO A 9 20.742 -6.034 -13.561 1.00 0.00 H new ATOM 148 N ASN A 10 23.918 -10.471 -13.937 1.00 0.00 N ATOM 149 CA ASN A 10 25.044 -11.264 -13.470 1.00 0.00 C ATOM 150 C ASN A 10 26.361 -10.627 -13.888 1.00 0.00 C ATOM 151 O ASN A 10 26.847 -10.863 -14.993 1.00 0.00 O ATOM 152 CB ASN A 10 24.965 -12.688 -14.030 1.00 0.00 C ATOM 153 CG ASN A 10 23.855 -13.515 -13.421 1.00 0.00 C ATOM 154 OD1 ASN A 10 24.191 -14.338 -12.437 1.00 0.00 O flip ATOM 155 ND2 ASN A 10 22.703 -13.438 -13.848 1.00 0.00 N flip ATOM 0 H ASN A 10 23.451 -10.849 -14.761 1.00 0.00 H new ATOM 0 HA ASN A 10 24.999 -11.303 -12.382 1.00 0.00 H new ATOM 0 HB2 ASN A 10 24.820 -12.638 -15.109 1.00 0.00 H new ATOM 0 HB3 ASN A 10 25.917 -13.190 -13.859 1.00 0.00 H new ATOM 0 HD21 ASN A 10 22.482 -12.793 -14.607 1.00 0.00 H new ATOM 0 HD22 ASN A 10 21.969 -14.019 -13.443 1.00 0.00 H new ATOM 162 N MET A 11 26.923 -9.795 -13.020 1.00 0.00 N ATOM 163 CA MET A 11 28.235 -9.217 -13.271 1.00 0.00 C ATOM 164 C MET A 11 29.023 -9.123 -11.979 1.00 0.00 C ATOM 165 O MET A 11 29.216 -8.037 -11.440 1.00 0.00 O ATOM 166 CB MET A 11 28.104 -7.827 -13.909 1.00 0.00 C ATOM 167 CG MET A 11 27.968 -7.866 -15.425 1.00 0.00 C ATOM 168 SD MET A 11 28.254 -6.268 -16.211 1.00 0.00 S ATOM 169 CE MET A 11 26.926 -5.295 -15.516 1.00 0.00 C ATOM 0 H MET A 11 26.493 -9.507 -12.141 1.00 0.00 H new ATOM 0 HA MET A 11 28.767 -9.867 -13.965 1.00 0.00 H new ATOM 0 HB2 MET A 11 27.235 -7.322 -13.487 1.00 0.00 H new ATOM 0 HB3 MET A 11 28.978 -7.231 -13.646 1.00 0.00 H new ATOM 0 HG2 MET A 11 28.675 -8.592 -15.827 1.00 0.00 H new ATOM 0 HG3 MET A 11 26.969 -8.216 -15.684 1.00 0.00 H new ATOM 0 HE1 MET A 11 26.438 -4.727 -16.308 1.00 0.00 H new ATOM 0 HE2 MET A 11 26.200 -5.956 -15.043 1.00 0.00 H new ATOM 0 HE3 MET A 11 27.329 -4.608 -14.772 1.00 0.00 H new ATOM 179 N GLN A 12 29.520 -10.264 -11.512 1.00 0.00 N ATOM 180 CA GLN A 12 30.165 -10.325 -10.202 1.00 0.00 C ATOM 181 C GLN A 12 31.579 -9.786 -10.291 1.00 0.00 C ATOM 182 O GLN A 12 32.024 -9.004 -9.454 1.00 0.00 O ATOM 183 CB GLN A 12 30.227 -11.761 -9.661 1.00 0.00 C ATOM 184 CG GLN A 12 28.978 -12.593 -9.895 1.00 0.00 C ATOM 185 CD GLN A 12 28.957 -13.222 -11.268 1.00 0.00 C ATOM 186 OE1 GLN A 12 30.003 -13.509 -11.849 1.00 0.00 O ATOM 187 NE2 GLN A 12 27.769 -13.445 -11.796 1.00 0.00 N ATOM 0 H GLN A 12 29.490 -11.151 -12.014 1.00 0.00 H new ATOM 0 HA GLN A 12 29.566 -9.719 -9.523 1.00 0.00 H new ATOM 0 HB2 GLN A 12 31.075 -12.269 -10.121 1.00 0.00 H new ATOM 0 HB3 GLN A 12 30.422 -11.721 -8.589 1.00 0.00 H new ATOM 0 HG2 GLN A 12 28.918 -13.375 -9.138 1.00 0.00 H new ATOM 0 HG3 GLN A 12 28.097 -11.963 -9.773 1.00 0.00 H new ATOM 0 HE21 GLN A 12 26.926 -13.192 -11.280 1.00 0.00 H new ATOM 0 HE22 GLN A 12 27.693 -13.871 -12.720 1.00 0.00 H new ATOM 196 N ASP A 13 32.264 -10.208 -11.337 1.00 0.00 N ATOM 197 CA ASP A 13 33.670 -9.888 -11.522 1.00 0.00 C ATOM 198 C ASP A 13 33.849 -9.024 -12.761 1.00 0.00 C ATOM 199 O ASP A 13 34.946 -8.571 -13.073 1.00 0.00 O ATOM 200 CB ASP A 13 34.457 -11.193 -11.667 1.00 0.00 C ATOM 201 CG ASP A 13 35.956 -10.995 -11.715 1.00 0.00 C ATOM 202 OD1 ASP A 13 36.573 -10.851 -10.641 1.00 0.00 O ATOM 203 OD2 ASP A 13 36.527 -11.031 -12.823 1.00 0.00 O ATOM 0 H ASP A 13 31.865 -10.780 -12.081 1.00 0.00 H new ATOM 0 HA ASP A 13 34.040 -9.332 -10.660 1.00 0.00 H new ATOM 0 HB2 ASP A 13 34.212 -11.850 -10.832 1.00 0.00 H new ATOM 0 HB3 ASP A 13 34.137 -11.701 -12.577 1.00 0.00 H new ATOM 208 N LYS A 14 32.744 -8.776 -13.448 1.00 0.00 N ATOM 209 CA LYS A 14 32.782 -8.093 -14.736 1.00 0.00 C ATOM 210 C LYS A 14 32.721 -6.589 -14.540 1.00 0.00 C ATOM 211 O LYS A 14 32.868 -5.818 -15.487 1.00 0.00 O ATOM 212 CB LYS A 14 31.613 -8.544 -15.616 1.00 0.00 C ATOM 213 CG LYS A 14 31.217 -9.997 -15.417 1.00 0.00 C ATOM 214 CD LYS A 14 32.369 -10.949 -15.680 1.00 0.00 C ATOM 215 CE LYS A 14 32.006 -12.358 -15.253 1.00 0.00 C ATOM 216 NZ LYS A 14 33.088 -13.334 -15.546 1.00 0.00 N ATOM 0 H LYS A 14 31.809 -9.037 -13.136 1.00 0.00 H new ATOM 0 HA LYS A 14 33.719 -8.350 -15.230 1.00 0.00 H new ATOM 0 HB2 LYS A 14 30.750 -7.911 -15.409 1.00 0.00 H new ATOM 0 HB3 LYS A 14 31.878 -8.390 -16.662 1.00 0.00 H new ATOM 0 HG2 LYS A 14 30.858 -10.137 -14.397 1.00 0.00 H new ATOM 0 HG3 LYS A 14 30.389 -10.240 -16.082 1.00 0.00 H new ATOM 0 HD2 LYS A 14 32.622 -10.938 -16.740 1.00 0.00 H new ATOM 0 HD3 LYS A 14 33.254 -10.616 -15.138 1.00 0.00 H new ATOM 0 HE2 LYS A 14 31.791 -12.367 -14.184 1.00 0.00 H new ATOM 0 HE3 LYS A 14 31.094 -12.666 -15.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 32.793 -14.282 -15.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 33.277 -13.347 -16.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 33.952 -13.057 -15.038 1.00 0.00 H new ATOM 230 N THR A 15 32.505 -6.180 -13.307 1.00 0.00 N ATOM 231 CA THR A 15 32.365 -4.770 -12.998 1.00 0.00 C ATOM 232 C THR A 15 32.581 -4.510 -11.507 1.00 0.00 C ATOM 233 O THR A 15 32.826 -5.440 -10.740 1.00 0.00 O ATOM 234 CB THR A 15 30.981 -4.248 -13.437 1.00 0.00 C ATOM 235 OG1 THR A 15 30.922 -2.819 -13.309 1.00 0.00 O ATOM 236 CG2 THR A 15 29.871 -4.892 -12.615 1.00 0.00 C ATOM 0 H THR A 15 32.422 -6.802 -12.503 1.00 0.00 H new ATOM 0 HA THR A 15 33.132 -4.230 -13.554 1.00 0.00 H new ATOM 0 HB THR A 15 30.835 -4.516 -14.483 1.00 0.00 H new ATOM 0 HG1 THR A 15 29.991 -2.540 -13.183 1.00 0.00 H new ATOM 0 HG21 THR A 15 28.905 -4.508 -12.943 1.00 0.00 H new ATOM 0 HG22 THR A 15 29.897 -5.973 -12.752 1.00 0.00 H new ATOM 0 HG23 THR A 15 30.016 -4.656 -11.561 1.00 0.00 H new ATOM 244 N GLU A 16 32.474 -3.247 -11.110 1.00 0.00 N ATOM 245 CA GLU A 16 32.758 -2.833 -9.742 1.00 0.00 C ATOM 246 C GLU A 16 31.475 -2.645 -8.935 1.00 0.00 C ATOM 247 O GLU A 16 31.510 -2.241 -7.773 1.00 0.00 O ATOM 248 CB GLU A 16 33.563 -1.533 -9.758 1.00 0.00 C ATOM 249 CG GLU A 16 32.852 -0.394 -10.475 1.00 0.00 C ATOM 250 CD GLU A 16 33.717 0.838 -10.621 1.00 0.00 C ATOM 251 OE1 GLU A 16 33.695 1.701 -9.714 1.00 0.00 O ATOM 252 OE2 GLU A 16 34.415 0.954 -11.644 1.00 0.00 O ATOM 0 H GLU A 16 32.189 -2.485 -11.725 1.00 0.00 H new ATOM 0 HA GLU A 16 33.339 -3.620 -9.261 1.00 0.00 H new ATOM 0 HB2 GLU A 16 33.774 -1.232 -8.732 1.00 0.00 H new ATOM 0 HB3 GLU A 16 34.523 -1.714 -10.241 1.00 0.00 H new ATOM 0 HG2 GLU A 16 32.539 -0.732 -11.463 1.00 0.00 H new ATOM 0 HG3 GLU A 16 31.947 -0.134 -9.926 1.00 0.00 H new ATOM 259 N TRP A 17 30.346 -2.937 -9.558 1.00 0.00 N ATOM 260 CA TRP A 17 29.057 -2.818 -8.892 1.00 0.00 C ATOM 261 C TRP A 17 28.748 -4.098 -8.125 1.00 0.00 C ATOM 262 O TRP A 17 29.452 -5.099 -8.266 1.00 0.00 O ATOM 263 CB TRP A 17 27.951 -2.537 -9.908 1.00 0.00 C ATOM 264 CG TRP A 17 28.251 -1.365 -10.786 1.00 0.00 C ATOM 265 CD1 TRP A 17 28.660 -0.124 -10.388 1.00 0.00 C ATOM 266 CD2 TRP A 17 28.166 -1.323 -12.210 1.00 0.00 C ATOM 267 NE1 TRP A 17 28.845 0.682 -11.482 1.00 0.00 N ATOM 268 CE2 TRP A 17 28.546 -0.032 -12.613 1.00 0.00 C ATOM 269 CE3 TRP A 17 27.807 -2.255 -13.185 1.00 0.00 C ATOM 270 CZ2 TRP A 17 28.580 0.342 -13.952 1.00 0.00 C ATOM 271 CZ3 TRP A 17 27.839 -1.880 -14.513 1.00 0.00 C ATOM 272 CH2 TRP A 17 28.222 -0.590 -14.885 1.00 0.00 C ATOM 0 H TRP A 17 30.294 -3.259 -10.525 1.00 0.00 H new ATOM 0 HA TRP A 17 29.104 -1.984 -8.192 1.00 0.00 H new ATOM 0 HB2 TRP A 17 27.802 -3.421 -10.529 1.00 0.00 H new ATOM 0 HB3 TRP A 17 27.015 -2.358 -9.378 1.00 0.00 H new ATOM 0 HD1 TRP A 17 28.815 0.178 -9.363 1.00 0.00 H new ATOM 0 HE1 TRP A 17 29.154 1.654 -11.458 1.00 0.00 H new ATOM 0 HE3 TRP A 17 27.509 -3.254 -12.905 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 28.880 1.337 -14.245 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 27.564 -2.594 -15.275 1.00 0.00 H new ATOM 0 HH2 TRP A 17 28.236 -0.323 -15.931 1.00 0.00 H new ATOM 283 N LYS A 18 27.683 -4.066 -7.337 1.00 0.00 N ATOM 284 CA LYS A 18 27.302 -5.202 -6.507 1.00 0.00 C ATOM 285 C LYS A 18 26.397 -6.163 -7.280 1.00 0.00 C ATOM 286 O LYS A 18 25.593 -6.895 -6.697 1.00 0.00 O ATOM 287 CB LYS A 18 26.591 -4.706 -5.242 1.00 0.00 C ATOM 288 CG LYS A 18 25.211 -4.116 -5.495 1.00 0.00 C ATOM 289 CD LYS A 18 24.133 -5.021 -4.924 1.00 0.00 C ATOM 290 CE LYS A 18 22.981 -5.234 -5.892 1.00 0.00 C ATOM 291 NZ LYS A 18 22.030 -4.092 -5.859 1.00 0.00 N ATOM 0 H LYS A 18 27.063 -3.260 -7.254 1.00 0.00 H new ATOM 0 HA LYS A 18 28.205 -5.742 -6.223 1.00 0.00 H new ATOM 0 HB2 LYS A 18 26.497 -5.536 -4.542 1.00 0.00 H new ATOM 0 HB3 LYS A 18 27.214 -3.952 -4.760 1.00 0.00 H new ATOM 0 HG2 LYS A 18 25.143 -3.128 -5.041 1.00 0.00 H new ATOM 0 HG3 LYS A 18 25.055 -3.986 -6.566 1.00 0.00 H new ATOM 0 HD2 LYS A 18 24.571 -5.986 -4.667 1.00 0.00 H new ATOM 0 HD3 LYS A 18 23.751 -4.588 -3.999 1.00 0.00 H new ATOM 0 HE2 LYS A 18 23.370 -5.357 -6.903 1.00 0.00 H new ATOM 0 HE3 LYS A 18 22.456 -6.155 -5.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 21.585 -3.984 -6.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 21.296 -4.272 -5.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 22.543 -3.220 -5.617 1.00 0.00 H new ATOM 305 N LEU A 19 26.533 -6.175 -8.589 1.00 0.00 N ATOM 306 CA LEU A 19 25.687 -7.000 -9.425 1.00 0.00 C ATOM 307 C LEU A 19 26.209 -8.432 -9.409 1.00 0.00 C ATOM 308 O LEU A 19 27.385 -8.656 -9.629 1.00 0.00 O ATOM 309 CB LEU A 19 25.685 -6.462 -10.858 1.00 0.00 C ATOM 310 CG LEU A 19 25.532 -4.947 -10.977 1.00 0.00 C ATOM 311 CD1 LEU A 19 25.494 -4.525 -12.429 1.00 0.00 C ATOM 312 CD2 LEU A 19 24.287 -4.477 -10.260 1.00 0.00 C ATOM 0 H LEU A 19 27.223 -5.622 -9.098 1.00 0.00 H new ATOM 0 HA LEU A 19 24.667 -6.980 -9.041 1.00 0.00 H new ATOM 0 HB2 LEU A 19 26.616 -6.758 -11.343 1.00 0.00 H new ATOM 0 HB3 LEU A 19 24.874 -6.939 -11.408 1.00 0.00 H new ATOM 0 HG LEU A 19 26.398 -4.482 -10.505 1.00 0.00 H new ATOM 0 HD11 LEU A 19 25.385 -3.442 -12.490 1.00 0.00 H new ATOM 0 HD12 LEU A 19 26.420 -4.825 -12.919 1.00 0.00 H new ATOM 0 HD13 LEU A 19 24.650 -5.004 -12.925 1.00 0.00 H new ATOM 0 HD21 LEU A 19 24.198 -3.395 -10.357 1.00 0.00 H new ATOM 0 HD22 LEU A 19 23.412 -4.955 -10.700 1.00 0.00 H new ATOM 0 HD23 LEU A 19 24.353 -4.742 -9.205 1.00 0.00 H new ATOM 324 N ASN A 20 25.351 -9.398 -9.122 1.00 0.00 N ATOM 325 CA ASN A 20 25.801 -10.788 -9.034 1.00 0.00 C ATOM 326 C ASN A 20 24.778 -11.731 -9.636 1.00 0.00 C ATOM 327 O ASN A 20 24.907 -12.947 -9.535 1.00 0.00 O ATOM 328 CB ASN A 20 26.075 -11.178 -7.577 1.00 0.00 C ATOM 329 CG ASN A 20 27.252 -10.433 -6.984 1.00 0.00 C ATOM 330 OD1 ASN A 20 28.371 -10.941 -6.937 1.00 0.00 O ATOM 331 ND2 ASN A 20 27.006 -9.209 -6.553 1.00 0.00 N ATOM 0 H ASN A 20 24.356 -9.256 -8.948 1.00 0.00 H new ATOM 0 HA ASN A 20 26.727 -10.872 -9.602 1.00 0.00 H new ATOM 0 HB2 ASN A 20 25.186 -10.979 -6.979 1.00 0.00 H new ATOM 0 HB3 ASN A 20 26.264 -12.250 -7.521 1.00 0.00 H new ATOM 0 HD21 ASN A 20 27.760 -8.645 -6.162 1.00 0.00 H new ATOM 0 HD22 ASN A 20 26.062 -8.828 -6.612 1.00 0.00 H new ATOM 338 N GLY A 21 23.776 -11.167 -10.291 1.00 0.00 N ATOM 339 CA GLY A 21 22.727 -11.979 -10.860 1.00 0.00 C ATOM 340 C GLY A 21 21.593 -12.252 -9.896 1.00 0.00 C ATOM 341 O GLY A 21 20.709 -13.054 -10.190 1.00 0.00 O ATOM 0 H GLY A 21 23.672 -10.163 -10.438 1.00 0.00 H new ATOM 0 HA2 GLY A 21 22.331 -11.481 -11.745 1.00 0.00 H new ATOM 0 HA3 GLY A 21 23.150 -12.928 -11.191 1.00 0.00 H new ATOM 345 N GLN A 22 21.614 -11.598 -8.740 1.00 0.00 N ATOM 346 CA GLN A 22 20.542 -11.764 -7.771 1.00 0.00 C ATOM 347 C GLN A 22 19.344 -10.903 -8.147 1.00 0.00 C ATOM 348 O GLN A 22 19.389 -10.132 -9.101 1.00 0.00 O ATOM 349 CB GLN A 22 21.000 -11.429 -6.345 1.00 0.00 C ATOM 350 CG GLN A 22 21.390 -9.974 -6.133 1.00 0.00 C ATOM 351 CD GLN A 22 22.883 -9.756 -6.217 1.00 0.00 C ATOM 352 OE1 GLN A 22 23.670 -10.635 -5.887 1.00 0.00 O ATOM 353 NE2 GLN A 22 23.282 -8.578 -6.658 1.00 0.00 N ATOM 0 H GLN A 22 22.353 -10.956 -8.455 1.00 0.00 H new ATOM 0 HA GLN A 22 20.251 -12.814 -7.790 1.00 0.00 H new ATOM 0 HB2 GLN A 22 20.199 -11.682 -5.651 1.00 0.00 H new ATOM 0 HB3 GLN A 22 21.852 -12.061 -6.093 1.00 0.00 H new ATOM 0 HG2 GLN A 22 20.893 -9.356 -6.881 1.00 0.00 H new ATOM 0 HG3 GLN A 22 21.032 -9.644 -5.158 1.00 0.00 H new ATOM 0 HE21 GLN A 22 22.594 -7.873 -6.923 1.00 0.00 H new ATOM 0 HE22 GLN A 22 24.278 -8.373 -6.734 1.00 0.00 H new ATOM 362 N VAL A 23 18.282 -11.037 -7.387 1.00 0.00 N ATOM 363 CA VAL A 23 17.054 -10.308 -7.645 1.00 0.00 C ATOM 364 C VAL A 23 16.649 -9.531 -6.405 1.00 0.00 C ATOM 365 O VAL A 23 16.511 -10.105 -5.326 1.00 0.00 O ATOM 366 CB VAL A 23 15.897 -11.253 -8.046 1.00 0.00 C ATOM 367 CG1 VAL A 23 14.650 -10.458 -8.402 1.00 0.00 C ATOM 368 CG2 VAL A 23 16.309 -12.160 -9.198 1.00 0.00 C ATOM 0 H VAL A 23 18.241 -11.652 -6.574 1.00 0.00 H new ATOM 0 HA VAL A 23 17.244 -9.628 -8.476 1.00 0.00 H new ATOM 0 HB VAL A 23 15.664 -11.884 -7.188 1.00 0.00 H new ATOM 0 HG11 VAL A 23 13.849 -11.143 -8.681 1.00 0.00 H new ATOM 0 HG12 VAL A 23 14.338 -9.866 -7.542 1.00 0.00 H new ATOM 0 HG13 VAL A 23 14.868 -9.795 -9.239 1.00 0.00 H new ATOM 0 HG21 VAL A 23 15.478 -12.815 -9.461 1.00 0.00 H new ATOM 0 HG22 VAL A 23 16.579 -11.552 -10.061 1.00 0.00 H new ATOM 0 HG23 VAL A 23 17.165 -12.764 -8.897 1.00 0.00 H new ATOM 378 N LEU A 24 16.479 -8.229 -6.555 1.00 0.00 N ATOM 379 CA LEU A 24 16.042 -7.400 -5.445 1.00 0.00 C ATOM 380 C LEU A 24 14.530 -7.380 -5.395 1.00 0.00 C ATOM 381 O LEU A 24 13.873 -7.259 -6.420 1.00 0.00 O ATOM 382 CB LEU A 24 16.569 -5.973 -5.581 1.00 0.00 C ATOM 383 CG LEU A 24 18.088 -5.845 -5.698 1.00 0.00 C ATOM 384 CD1 LEU A 24 18.483 -4.390 -5.889 1.00 0.00 C ATOM 385 CD2 LEU A 24 18.770 -6.422 -4.465 1.00 0.00 C ATOM 0 H LEU A 24 16.636 -7.726 -7.428 1.00 0.00 H new ATOM 0 HA LEU A 24 16.439 -7.824 -4.523 1.00 0.00 H new ATOM 0 HB2 LEU A 24 16.114 -5.518 -6.461 1.00 0.00 H new ATOM 0 HB3 LEU A 24 16.238 -5.397 -4.717 1.00 0.00 H new ATOM 0 HG LEU A 24 18.415 -6.412 -6.570 1.00 0.00 H new ATOM 0 HD11 LEU A 24 19.567 -4.315 -5.971 1.00 0.00 H new ATOM 0 HD12 LEU A 24 18.023 -4.005 -6.799 1.00 0.00 H new ATOM 0 HD13 LEU A 24 18.142 -3.805 -5.035 1.00 0.00 H new ATOM 0 HD21 LEU A 24 19.851 -6.322 -4.567 1.00 0.00 H new ATOM 0 HD22 LEU A 24 18.437 -5.882 -3.579 1.00 0.00 H new ATOM 0 HD23 LEU A 24 18.511 -7.476 -4.366 1.00 0.00 H new ATOM 397 N VAL A 25 13.984 -7.516 -4.208 1.00 0.00 N ATOM 398 CA VAL A 25 12.546 -7.515 -4.031 1.00 0.00 C ATOM 399 C VAL A 25 12.158 -6.432 -3.044 1.00 0.00 C ATOM 400 O VAL A 25 12.404 -6.549 -1.844 1.00 0.00 O ATOM 401 CB VAL A 25 12.019 -8.878 -3.535 1.00 0.00 C ATOM 402 CG1 VAL A 25 10.507 -8.836 -3.364 1.00 0.00 C ATOM 403 CG2 VAL A 25 12.415 -9.993 -4.491 1.00 0.00 C ATOM 0 H VAL A 25 14.516 -7.629 -3.345 1.00 0.00 H new ATOM 0 HA VAL A 25 12.094 -7.321 -5.004 1.00 0.00 H new ATOM 0 HB VAL A 25 12.472 -9.084 -2.565 1.00 0.00 H new ATOM 0 HG11 VAL A 25 10.153 -9.806 -3.014 1.00 0.00 H new ATOM 0 HG12 VAL A 25 10.244 -8.069 -2.635 1.00 0.00 H new ATOM 0 HG13 VAL A 25 10.039 -8.603 -4.320 1.00 0.00 H new ATOM 0 HG21 VAL A 25 12.032 -10.944 -4.120 1.00 0.00 H new ATOM 0 HG22 VAL A 25 11.996 -9.793 -5.477 1.00 0.00 H new ATOM 0 HG23 VAL A 25 13.502 -10.042 -4.562 1.00 0.00 H new ATOM 413 N PHE A 26 11.564 -5.375 -3.557 1.00 0.00 N ATOM 414 CA PHE A 26 11.187 -4.240 -2.741 1.00 0.00 C ATOM 415 C PHE A 26 9.693 -3.990 -2.869 1.00 0.00 C ATOM 416 O PHE A 26 9.038 -4.554 -3.743 1.00 0.00 O ATOM 417 CB PHE A 26 11.982 -2.998 -3.157 1.00 0.00 C ATOM 418 CG PHE A 26 13.467 -3.115 -2.925 1.00 0.00 C ATOM 419 CD1 PHE A 26 13.958 -3.743 -1.790 1.00 0.00 C ATOM 420 CD2 PHE A 26 14.373 -2.602 -3.842 1.00 0.00 C ATOM 421 CE1 PHE A 26 15.317 -3.859 -1.574 1.00 0.00 C ATOM 422 CE2 PHE A 26 15.735 -2.716 -3.632 1.00 0.00 C ATOM 423 CZ PHE A 26 16.208 -3.344 -2.496 1.00 0.00 C ATOM 0 H PHE A 26 11.330 -5.278 -4.545 1.00 0.00 H new ATOM 0 HA PHE A 26 11.418 -4.457 -1.698 1.00 0.00 H new ATOM 0 HB2 PHE A 26 11.804 -2.803 -4.214 1.00 0.00 H new ATOM 0 HB3 PHE A 26 11.605 -2.136 -2.606 1.00 0.00 H new ATOM 0 HD1 PHE A 26 13.267 -4.147 -1.065 1.00 0.00 H new ATOM 0 HD2 PHE A 26 14.010 -2.107 -4.731 1.00 0.00 H new ATOM 0 HE1 PHE A 26 15.683 -4.352 -0.685 1.00 0.00 H new ATOM 0 HE2 PHE A 26 16.429 -2.314 -4.356 1.00 0.00 H new ATOM 0 HZ PHE A 26 17.271 -3.432 -2.329 1.00 0.00 H new ATOM 433 N THR A 27 9.143 -3.182 -1.988 1.00 0.00 N ATOM 434 CA THR A 27 7.726 -2.877 -2.041 1.00 0.00 C ATOM 435 C THR A 27 7.498 -1.373 -2.057 1.00 0.00 C ATOM 436 O THR A 27 7.930 -0.660 -1.153 1.00 0.00 O ATOM 437 CB THR A 27 6.987 -3.506 -0.848 1.00 0.00 C ATOM 438 OG1 THR A 27 7.476 -4.838 -0.634 1.00 0.00 O ATOM 439 CG2 THR A 27 5.482 -3.550 -1.081 1.00 0.00 C ATOM 0 H THR A 27 9.650 -2.726 -1.230 1.00 0.00 H new ATOM 0 HA THR A 27 7.328 -3.302 -2.963 1.00 0.00 H new ATOM 0 HB THR A 27 7.175 -2.888 0.030 1.00 0.00 H new ATOM 0 HG1 THR A 27 7.008 -5.240 0.127 1.00 0.00 H new ATOM 0 HG21 THR A 27 4.993 -4.001 -0.217 1.00 0.00 H new ATOM 0 HG22 THR A 27 5.106 -2.537 -1.223 1.00 0.00 H new ATOM 0 HG23 THR A 27 5.269 -4.144 -1.970 1.00 0.00 H new ATOM 447 N LEU A 28 6.827 -0.904 -3.090 1.00 0.00 N ATOM 448 CA LEU A 28 6.515 0.510 -3.238 1.00 0.00 C ATOM 449 C LEU A 28 5.093 0.665 -3.747 1.00 0.00 C ATOM 450 O LEU A 28 4.565 -0.236 -4.396 1.00 0.00 O ATOM 451 CB LEU A 28 7.492 1.191 -4.205 1.00 0.00 C ATOM 452 CG LEU A 28 8.903 1.429 -3.656 1.00 0.00 C ATOM 453 CD1 LEU A 28 9.835 1.891 -4.764 1.00 0.00 C ATOM 454 CD2 LEU A 28 8.873 2.461 -2.539 1.00 0.00 C ATOM 0 H LEU A 28 6.482 -1.488 -3.851 1.00 0.00 H new ATOM 0 HA LEU A 28 6.611 0.990 -2.264 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.569 0.582 -5.106 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.071 2.151 -4.504 1.00 0.00 H new ATOM 0 HG LEU A 28 9.276 0.487 -3.254 1.00 0.00 H new ATOM 0 HD11 LEU A 28 10.832 2.055 -4.356 1.00 0.00 H new ATOM 0 HD12 LEU A 28 9.882 1.128 -5.541 1.00 0.00 H new ATOM 0 HD13 LEU A 28 9.460 2.821 -5.191 1.00 0.00 H new ATOM 0 HD21 LEU A 28 9.883 2.618 -2.161 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.480 3.402 -2.924 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.235 2.104 -1.731 1.00 0.00 H new ATOM 466 N PRO A 29 4.436 1.783 -3.428 1.00 0.00 N ATOM 467 CA PRO A 29 3.099 2.069 -3.932 1.00 0.00 C ATOM 468 C PRO A 29 3.111 2.369 -5.424 1.00 0.00 C ATOM 469 O PRO A 29 4.103 2.866 -5.958 1.00 0.00 O ATOM 470 CB PRO A 29 2.665 3.304 -3.141 1.00 0.00 C ATOM 471 CG PRO A 29 3.935 3.957 -2.729 1.00 0.00 C ATOM 472 CD PRO A 29 4.933 2.850 -2.540 1.00 0.00 C ATOM 0 HA PRO A 29 2.426 1.221 -3.809 1.00 0.00 H new ATOM 0 HB2 PRO A 29 2.057 3.971 -3.752 1.00 0.00 H new ATOM 0 HB3 PRO A 29 2.063 3.028 -2.275 1.00 0.00 H new ATOM 0 HG2 PRO A 29 4.274 4.662 -3.488 1.00 0.00 H new ATOM 0 HG3 PRO A 29 3.801 4.522 -1.807 1.00 0.00 H new ATOM 0 HD2 PRO A 29 5.939 3.165 -2.816 1.00 0.00 H new ATOM 0 HD3 PRO A 29 4.975 2.521 -1.502 1.00 0.00 H new ATOM 480 N LEU A 30 1.999 2.081 -6.077 1.00 0.00 N ATOM 481 CA LEU A 30 1.847 2.307 -7.515 1.00 0.00 C ATOM 482 C LEU A 30 1.970 3.799 -7.844 1.00 0.00 C ATOM 483 O LEU A 30 2.100 4.185 -9.006 1.00 0.00 O ATOM 484 CB LEU A 30 0.487 1.769 -7.973 1.00 0.00 C ATOM 485 CG LEU A 30 0.268 1.704 -9.484 1.00 0.00 C ATOM 486 CD1 LEU A 30 1.287 0.782 -10.125 1.00 0.00 C ATOM 487 CD2 LEU A 30 -1.144 1.232 -9.794 1.00 0.00 C ATOM 0 H LEU A 30 1.172 1.684 -5.631 1.00 0.00 H new ATOM 0 HA LEU A 30 2.640 1.779 -8.044 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.358 0.767 -7.564 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.294 2.394 -7.539 1.00 0.00 H new ATOM 0 HG LEU A 30 0.397 2.704 -9.898 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.119 0.746 -11.201 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.291 1.156 -9.927 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.185 -0.220 -9.708 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.285 1.191 -10.874 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.297 0.240 -9.370 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.863 1.927 -9.360 1.00 0.00 H new ATOM 499 N THR A 31 1.937 4.624 -6.805 1.00 0.00 N ATOM 500 CA THR A 31 2.022 6.067 -6.947 1.00 0.00 C ATOM 501 C THR A 31 3.440 6.516 -7.292 1.00 0.00 C ATOM 502 O THR A 31 3.637 7.589 -7.862 1.00 0.00 O ATOM 503 CB THR A 31 1.580 6.760 -5.647 1.00 0.00 C ATOM 504 OG1 THR A 31 2.423 6.340 -4.562 1.00 0.00 O ATOM 505 CG2 THR A 31 0.135 6.419 -5.322 1.00 0.00 C ATOM 0 H THR A 31 1.850 4.308 -5.839 1.00 0.00 H new ATOM 0 HA THR A 31 1.358 6.350 -7.764 1.00 0.00 H new ATOM 0 HB THR A 31 1.665 7.838 -5.785 1.00 0.00 H new ATOM 0 HG1 THR A 31 2.139 6.785 -3.736 1.00 0.00 H new ATOM 0 HG21 THR A 31 -0.158 6.919 -4.399 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.509 6.752 -6.136 1.00 0.00 H new ATOM 0 HG23 THR A 31 0.035 5.341 -5.198 1.00 0.00 H new ATOM 513 N ASP A 32 4.428 5.699 -6.940 1.00 0.00 N ATOM 514 CA ASP A 32 5.816 6.044 -7.216 1.00 0.00 C ATOM 515 C ASP A 32 6.142 5.828 -8.685 1.00 0.00 C ATOM 516 O ASP A 32 5.263 5.538 -9.500 1.00 0.00 O ATOM 517 CB ASP A 32 6.779 5.254 -6.325 1.00 0.00 C ATOM 518 CG ASP A 32 6.904 5.866 -4.943 1.00 0.00 C ATOM 519 OD1 ASP A 32 5.962 5.735 -4.138 1.00 0.00 O ATOM 520 OD2 ASP A 32 7.945 6.494 -4.658 1.00 0.00 O ATOM 0 H ASP A 32 4.295 4.804 -6.469 1.00 0.00 H new ATOM 0 HA ASP A 32 5.946 7.101 -6.985 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.430 4.225 -6.236 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.761 5.217 -6.796 1.00 0.00 H new ATOM 525 N GLN A 33 7.407 5.969 -9.027 1.00 0.00 N ATOM 526 CA GLN A 33 7.806 5.977 -10.417 1.00 0.00 C ATOM 527 C GLN A 33 9.157 5.314 -10.615 1.00 0.00 C ATOM 528 O GLN A 33 9.850 4.987 -9.649 1.00 0.00 O ATOM 529 CB GLN A 33 7.830 7.418 -10.950 1.00 0.00 C ATOM 530 CG GLN A 33 8.589 8.410 -10.065 1.00 0.00 C ATOM 531 CD GLN A 33 7.798 8.908 -8.861 1.00 0.00 C ATOM 532 OE1 GLN A 33 6.489 9.044 -9.007 1.00 0.00 O flip ATOM 533 NE2 GLN A 33 8.373 9.191 -7.810 1.00 0.00 N flip ATOM 0 H GLN A 33 8.173 6.079 -8.363 1.00 0.00 H new ATOM 0 HA GLN A 33 7.073 5.400 -10.980 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.281 7.417 -11.942 1.00 0.00 H new ATOM 0 HB3 GLN A 33 6.804 7.766 -11.066 1.00 0.00 H new ATOM 0 HG2 GLN A 33 9.506 7.937 -9.713 1.00 0.00 H new ATOM 0 HG3 GLN A 33 8.885 9.267 -10.670 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.383 9.073 -7.734 1.00 0.00 H new ATOM 0 HE22 GLN A 33 7.839 9.543 -7.015 1.00 0.00 H new ATOM 542 N VAL A 34 9.524 5.129 -11.881 1.00 0.00 N ATOM 543 CA VAL A 34 10.779 4.481 -12.241 1.00 0.00 C ATOM 544 C VAL A 34 11.961 5.301 -11.740 1.00 0.00 C ATOM 545 O VAL A 34 13.042 4.771 -11.489 1.00 0.00 O ATOM 546 CB VAL A 34 10.898 4.296 -13.770 1.00 0.00 C ATOM 547 CG1 VAL A 34 12.131 3.478 -14.124 1.00 0.00 C ATOM 548 CG2 VAL A 34 9.637 3.653 -14.334 1.00 0.00 C ATOM 0 H VAL A 34 8.963 5.423 -12.680 1.00 0.00 H new ATOM 0 HA VAL A 34 10.788 3.498 -11.770 1.00 0.00 H new ATOM 0 HB VAL A 34 11.008 5.281 -14.224 1.00 0.00 H new ATOM 0 HG11 VAL A 34 12.192 3.362 -15.206 1.00 0.00 H new ATOM 0 HG12 VAL A 34 13.023 3.990 -13.763 1.00 0.00 H new ATOM 0 HG13 VAL A 34 12.062 2.496 -13.657 1.00 0.00 H new ATOM 0 HG21 VAL A 34 9.741 3.532 -15.412 1.00 0.00 H new ATOM 0 HG22 VAL A 34 9.488 2.677 -13.872 1.00 0.00 H new ATOM 0 HG23 VAL A 34 8.778 4.290 -14.122 1.00 0.00 H new ATOM 558 N SER A 35 11.736 6.601 -11.593 1.00 0.00 N ATOM 559 CA SER A 35 12.735 7.513 -11.043 1.00 0.00 C ATOM 560 C SER A 35 13.233 7.035 -9.674 1.00 0.00 C ATOM 561 O SER A 35 14.390 7.247 -9.313 1.00 0.00 O ATOM 562 CB SER A 35 12.129 8.906 -10.920 1.00 0.00 C ATOM 563 OG SER A 35 11.071 9.065 -11.850 1.00 0.00 O ATOM 0 H SER A 35 10.859 7.053 -11.851 1.00 0.00 H new ATOM 0 HA SER A 35 13.591 7.538 -11.718 1.00 0.00 H new ATOM 0 HB2 SER A 35 11.758 9.061 -9.907 1.00 0.00 H new ATOM 0 HB3 SER A 35 12.895 9.661 -11.098 1.00 0.00 H new ATOM 0 HG SER A 35 11.396 8.865 -12.753 1.00 0.00 H new ATOM 569 N VAL A 36 12.359 6.380 -8.922 1.00 0.00 N ATOM 570 CA VAL A 36 12.713 5.854 -7.620 1.00 0.00 C ATOM 571 C VAL A 36 13.538 4.578 -7.772 1.00 0.00 C ATOM 572 O VAL A 36 14.402 4.279 -6.951 1.00 0.00 O ATOM 573 CB VAL A 36 11.446 5.564 -6.789 1.00 0.00 C ATOM 574 CG1 VAL A 36 11.810 5.098 -5.398 1.00 0.00 C ATOM 575 CG2 VAL A 36 10.552 6.795 -6.727 1.00 0.00 C ATOM 0 H VAL A 36 11.393 6.202 -9.198 1.00 0.00 H new ATOM 0 HA VAL A 36 13.309 6.603 -7.098 1.00 0.00 H new ATOM 0 HB VAL A 36 10.893 4.763 -7.280 1.00 0.00 H new ATOM 0 HG11 VAL A 36 10.900 4.900 -4.831 1.00 0.00 H new ATOM 0 HG12 VAL A 36 12.403 4.186 -5.463 1.00 0.00 H new ATOM 0 HG13 VAL A 36 12.390 5.872 -4.895 1.00 0.00 H new ATOM 0 HG21 VAL A 36 9.664 6.570 -6.137 1.00 0.00 H new ATOM 0 HG22 VAL A 36 11.097 7.618 -6.264 1.00 0.00 H new ATOM 0 HG23 VAL A 36 10.254 7.080 -7.736 1.00 0.00 H new ATOM 585 N ILE A 37 13.282 3.842 -8.842 1.00 0.00 N ATOM 586 CA ILE A 37 14.011 2.611 -9.107 1.00 0.00 C ATOM 587 C ILE A 37 15.450 2.917 -9.520 1.00 0.00 C ATOM 588 O ILE A 37 16.394 2.394 -8.937 1.00 0.00 O ATOM 589 CB ILE A 37 13.330 1.765 -10.216 1.00 0.00 C ATOM 590 CG1 ILE A 37 11.828 1.612 -9.944 1.00 0.00 C ATOM 591 CG2 ILE A 37 14.000 0.404 -10.330 1.00 0.00 C ATOM 592 CD1 ILE A 37 11.496 0.983 -8.605 1.00 0.00 C ATOM 0 H ILE A 37 12.576 4.075 -9.540 1.00 0.00 H new ATOM 0 HA ILE A 37 14.009 2.034 -8.182 1.00 0.00 H new ATOM 0 HB ILE A 37 13.446 2.287 -11.166 1.00 0.00 H new ATOM 0 HG12 ILE A 37 11.359 2.595 -9.996 1.00 0.00 H new ATOM 0 HG13 ILE A 37 11.387 1.006 -10.736 1.00 0.00 H new ATOM 0 HG21 ILE A 37 13.511 -0.178 -11.112 1.00 0.00 H new ATOM 0 HG22 ILE A 37 15.053 0.536 -10.580 1.00 0.00 H new ATOM 0 HG23 ILE A 37 13.917 -0.123 -9.380 1.00 0.00 H new ATOM 0 HD11 ILE A 37 10.414 0.913 -8.494 1.00 0.00 H new ATOM 0 HD12 ILE A 37 11.932 -0.015 -8.554 1.00 0.00 H new ATOM 0 HD13 ILE A 37 11.903 1.598 -7.803 1.00 0.00 H new ATOM 604 N LYS A 38 15.611 3.787 -10.508 1.00 0.00 N ATOM 605 CA LYS A 38 16.940 4.142 -11.002 1.00 0.00 C ATOM 606 C LYS A 38 17.819 4.710 -9.892 1.00 0.00 C ATOM 607 O LYS A 38 18.994 4.353 -9.779 1.00 0.00 O ATOM 608 CB LYS A 38 16.839 5.162 -12.129 1.00 0.00 C ATOM 609 CG LYS A 38 15.838 6.268 -11.854 1.00 0.00 C ATOM 610 CD LYS A 38 16.201 7.561 -12.558 1.00 0.00 C ATOM 611 CE LYS A 38 17.467 8.171 -11.984 1.00 0.00 C ATOM 612 NZ LYS A 38 17.713 9.529 -12.535 1.00 0.00 N ATOM 0 H LYS A 38 14.843 4.260 -10.984 1.00 0.00 H new ATOM 0 HA LYS A 38 17.398 3.226 -11.375 1.00 0.00 H new ATOM 0 HB2 LYS A 38 17.821 5.605 -12.297 1.00 0.00 H new ATOM 0 HB3 LYS A 38 16.559 4.649 -13.049 1.00 0.00 H new ATOM 0 HG2 LYS A 38 14.848 5.947 -12.177 1.00 0.00 H new ATOM 0 HG3 LYS A 38 15.782 6.445 -10.780 1.00 0.00 H new ATOM 0 HD2 LYS A 38 16.338 7.371 -13.623 1.00 0.00 H new ATOM 0 HD3 LYS A 38 15.379 8.271 -12.464 1.00 0.00 H new ATOM 0 HE2 LYS A 38 17.386 8.226 -10.898 1.00 0.00 H new ATOM 0 HE3 LYS A 38 18.317 7.526 -12.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 18.585 9.918 -12.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 17.814 9.471 -13.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 16.912 10.149 -12.300 1.00 0.00 H new ATOM 626 N VAL A 39 17.254 5.592 -9.071 1.00 0.00 N ATOM 627 CA VAL A 39 18.024 6.243 -8.019 1.00 0.00 C ATOM 628 C VAL A 39 18.421 5.245 -6.934 1.00 0.00 C ATOM 629 O VAL A 39 19.543 5.280 -6.432 1.00 0.00 O ATOM 630 CB VAL A 39 17.269 7.448 -7.395 1.00 0.00 C ATOM 631 CG1 VAL A 39 16.020 7.005 -6.644 1.00 0.00 C ATOM 632 CG2 VAL A 39 18.187 8.244 -6.479 1.00 0.00 C ATOM 0 H VAL A 39 16.273 5.870 -9.114 1.00 0.00 H new ATOM 0 HA VAL A 39 18.928 6.632 -8.487 1.00 0.00 H new ATOM 0 HB VAL A 39 16.950 8.091 -8.215 1.00 0.00 H new ATOM 0 HG11 VAL A 39 15.520 7.877 -6.222 1.00 0.00 H new ATOM 0 HG12 VAL A 39 15.344 6.496 -7.331 1.00 0.00 H new ATOM 0 HG13 VAL A 39 16.301 6.324 -5.840 1.00 0.00 H new ATOM 0 HG21 VAL A 39 17.637 9.083 -6.053 1.00 0.00 H new ATOM 0 HG22 VAL A 39 18.547 7.601 -5.676 1.00 0.00 H new ATOM 0 HG23 VAL A 39 19.036 8.619 -7.051 1.00 0.00 H new ATOM 642 N LYS A 40 17.515 4.326 -6.609 1.00 0.00 N ATOM 643 CA LYS A 40 17.776 3.355 -5.555 1.00 0.00 C ATOM 644 C LYS A 40 18.862 2.372 -5.990 1.00 0.00 C ATOM 645 O LYS A 40 19.689 1.955 -5.181 1.00 0.00 O ATOM 646 CB LYS A 40 16.488 2.620 -5.138 1.00 0.00 C ATOM 647 CG LYS A 40 15.991 1.566 -6.108 1.00 0.00 C ATOM 648 CD LYS A 40 14.591 1.109 -5.734 1.00 0.00 C ATOM 649 CE LYS A 40 14.502 0.757 -4.255 1.00 0.00 C ATOM 650 NZ LYS A 40 13.100 0.566 -3.802 1.00 0.00 N ATOM 0 H LYS A 40 16.603 4.235 -7.056 1.00 0.00 H new ATOM 0 HA LYS A 40 18.138 3.894 -4.679 1.00 0.00 H new ATOM 0 HB2 LYS A 40 16.658 2.147 -4.171 1.00 0.00 H new ATOM 0 HB3 LYS A 40 15.699 3.359 -4.997 1.00 0.00 H new ATOM 0 HG2 LYS A 40 15.989 1.969 -7.121 1.00 0.00 H new ATOM 0 HG3 LYS A 40 16.670 0.713 -6.106 1.00 0.00 H new ATOM 0 HD2 LYS A 40 13.874 1.897 -5.967 1.00 0.00 H new ATOM 0 HD3 LYS A 40 14.317 0.241 -6.334 1.00 0.00 H new ATOM 0 HE2 LYS A 40 15.069 -0.154 -4.066 1.00 0.00 H new ATOM 0 HE3 LYS A 40 14.966 1.549 -3.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 12.866 1.283 -3.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 12.457 0.664 -4.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 12.995 -0.383 -3.390 1.00 0.00 H new ATOM 664 N ILE A 41 18.878 2.031 -7.275 1.00 0.00 N ATOM 665 CA ILE A 41 19.894 1.138 -7.819 1.00 0.00 C ATOM 666 C ILE A 41 21.240 1.848 -7.911 1.00 0.00 C ATOM 667 O ILE A 41 22.282 1.285 -7.574 1.00 0.00 O ATOM 668 CB ILE A 41 19.501 0.640 -9.220 1.00 0.00 C ATOM 669 CG1 ILE A 41 18.172 -0.108 -9.161 1.00 0.00 C ATOM 670 CG2 ILE A 41 20.592 -0.256 -9.788 1.00 0.00 C ATOM 671 CD1 ILE A 41 17.588 -0.376 -10.524 1.00 0.00 C ATOM 0 H ILE A 41 18.197 2.361 -7.960 1.00 0.00 H new ATOM 0 HA ILE A 41 19.973 0.286 -7.144 1.00 0.00 H new ATOM 0 HB ILE A 41 19.385 1.502 -9.878 1.00 0.00 H new ATOM 0 HG12 ILE A 41 18.317 -1.055 -8.641 1.00 0.00 H new ATOM 0 HG13 ILE A 41 17.460 0.472 -8.574 1.00 0.00 H new ATOM 0 HG21 ILE A 41 20.300 -0.601 -10.780 1.00 0.00 H new ATOM 0 HG22 ILE A 41 21.524 0.305 -9.859 1.00 0.00 H new ATOM 0 HG23 ILE A 41 20.735 -1.115 -9.133 1.00 0.00 H new ATOM 0 HD11 ILE A 41 16.644 -0.910 -10.417 1.00 0.00 H new ATOM 0 HD12 ILE A 41 17.414 0.570 -11.037 1.00 0.00 H new ATOM 0 HD13 ILE A 41 18.283 -0.981 -11.105 1.00 0.00 H new ATOM 683 N HIS A 42 21.191 3.096 -8.349 1.00 0.00 N ATOM 684 CA HIS A 42 22.385 3.922 -8.504 1.00 0.00 C ATOM 685 C HIS A 42 23.150 4.027 -7.193 1.00 0.00 C ATOM 686 O HIS A 42 24.375 4.070 -7.184 1.00 0.00 O ATOM 687 CB HIS A 42 21.983 5.320 -9.008 1.00 0.00 C ATOM 688 CG HIS A 42 23.061 6.363 -8.894 1.00 0.00 C ATOM 689 ND1 HIS A 42 22.871 7.579 -8.272 1.00 0.00 N ATOM 690 CD2 HIS A 42 24.337 6.377 -9.349 1.00 0.00 C ATOM 691 CE1 HIS A 42 23.978 8.289 -8.353 1.00 0.00 C ATOM 692 NE2 HIS A 42 24.887 7.582 -9.000 1.00 0.00 N ATOM 0 H HIS A 42 20.324 3.568 -8.608 1.00 0.00 H new ATOM 0 HA HIS A 42 23.043 3.452 -9.235 1.00 0.00 H new ATOM 0 HB2 HIS A 42 21.681 5.242 -10.052 1.00 0.00 H new ATOM 0 HB3 HIS A 42 21.110 5.656 -8.448 1.00 0.00 H new ATOM 0 HD2 HIS A 42 24.831 5.583 -9.889 1.00 0.00 H new ATOM 0 HE1 HIS A 42 24.119 9.284 -7.956 1.00 0.00 H new ATOM 0 HE2 HIS A 42 25.840 7.883 -9.205 1.00 0.00 H new ATOM 701 N GLU A 43 22.425 4.061 -6.093 1.00 0.00 N ATOM 702 CA GLU A 43 23.048 4.196 -4.786 1.00 0.00 C ATOM 703 C GLU A 43 23.343 2.833 -4.165 1.00 0.00 C ATOM 704 O GLU A 43 24.188 2.717 -3.281 1.00 0.00 O ATOM 705 CB GLU A 43 22.163 5.034 -3.866 1.00 0.00 C ATOM 706 CG GLU A 43 21.889 6.428 -4.414 1.00 0.00 C ATOM 707 CD GLU A 43 21.246 7.343 -3.399 1.00 0.00 C ATOM 708 OE1 GLU A 43 20.005 7.316 -3.266 1.00 0.00 O ATOM 709 OE2 GLU A 43 21.978 8.100 -2.732 1.00 0.00 O ATOM 0 H GLU A 43 21.407 3.997 -6.075 1.00 0.00 H new ATOM 0 HA GLU A 43 24.002 4.707 -4.915 1.00 0.00 H new ATOM 0 HB2 GLU A 43 21.216 4.517 -3.712 1.00 0.00 H new ATOM 0 HB3 GLU A 43 22.641 5.120 -2.890 1.00 0.00 H new ATOM 0 HG2 GLU A 43 22.826 6.870 -4.752 1.00 0.00 H new ATOM 0 HG3 GLU A 43 21.240 6.349 -5.287 1.00 0.00 H new ATOM 716 N ALA A 44 22.649 1.802 -4.636 1.00 0.00 N ATOM 717 CA ALA A 44 22.812 0.460 -4.088 1.00 0.00 C ATOM 718 C ALA A 44 23.934 -0.304 -4.786 1.00 0.00 C ATOM 719 O ALA A 44 24.603 -1.131 -4.172 1.00 0.00 O ATOM 720 CB ALA A 44 21.510 -0.317 -4.192 1.00 0.00 C ATOM 0 H ALA A 44 21.970 1.870 -5.394 1.00 0.00 H new ATOM 0 HA ALA A 44 23.084 0.567 -3.038 1.00 0.00 H new ATOM 0 HB1 ALA A 44 21.649 -1.316 -3.779 1.00 0.00 H new ATOM 0 HB2 ALA A 44 20.731 0.202 -3.633 1.00 0.00 H new ATOM 0 HB3 ALA A 44 21.215 -0.395 -5.239 1.00 0.00 H new ATOM 726 N THR A 45 24.116 -0.054 -6.076 1.00 0.00 N ATOM 727 CA THR A 45 25.172 -0.712 -6.833 1.00 0.00 C ATOM 728 C THR A 45 26.295 0.269 -7.158 1.00 0.00 C ATOM 729 O THR A 45 27.479 -0.062 -7.054 1.00 0.00 O ATOM 730 CB THR A 45 24.629 -1.319 -8.145 1.00 0.00 C ATOM 731 OG1 THR A 45 24.491 -0.308 -9.149 1.00 0.00 O ATOM 732 CG2 THR A 45 23.271 -1.957 -7.919 1.00 0.00 C ATOM 0 H THR A 45 23.548 0.597 -6.618 1.00 0.00 H new ATOM 0 HA THR A 45 25.563 -1.517 -6.210 1.00 0.00 H new ATOM 0 HB THR A 45 25.341 -2.075 -8.476 1.00 0.00 H new ATOM 0 HG1 THR A 45 23.826 0.351 -8.860 1.00 0.00 H new ATOM 0 HG21 THR A 45 22.907 -2.378 -8.856 1.00 0.00 H new ATOM 0 HG22 THR A 45 23.360 -2.749 -7.175 1.00 0.00 H new ATOM 0 HG23 THR A 45 22.569 -1.203 -7.563 1.00 0.00 H new ATOM 740 N GLY A 46 25.903 1.473 -7.560 1.00 0.00 N ATOM 741 CA GLY A 46 26.859 2.497 -7.915 1.00 0.00 C ATOM 742 C GLY A 46 26.679 2.972 -9.345 1.00 0.00 C ATOM 743 O GLY A 46 27.294 3.954 -9.763 1.00 0.00 O ATOM 0 H GLY A 46 24.927 1.757 -7.646 1.00 0.00 H new ATOM 0 HA2 GLY A 46 26.753 3.343 -7.236 1.00 0.00 H new ATOM 0 HA3 GLY A 46 27.870 2.110 -7.786 1.00 0.00 H new ATOM 747 N MET A 47 25.824 2.285 -10.095 1.00 0.00 N ATOM 748 CA MET A 47 25.613 2.612 -11.501 1.00 0.00 C ATOM 749 C MET A 47 24.485 3.630 -11.682 1.00 0.00 C ATOM 750 O MET A 47 23.346 3.396 -11.279 1.00 0.00 O ATOM 751 CB MET A 47 25.321 1.340 -12.306 1.00 0.00 C ATOM 752 CG MET A 47 23.981 0.698 -11.984 1.00 0.00 C ATOM 753 SD MET A 47 23.886 -1.040 -12.463 1.00 0.00 S ATOM 754 CE MET A 47 23.938 -0.925 -14.247 1.00 0.00 C ATOM 0 H MET A 47 25.267 1.501 -9.755 1.00 0.00 H new ATOM 0 HA MET A 47 26.530 3.067 -11.876 1.00 0.00 H new ATOM 0 HB2 MET A 47 25.351 1.580 -13.369 1.00 0.00 H new ATOM 0 HB3 MET A 47 26.114 0.615 -12.120 1.00 0.00 H new ATOM 0 HG2 MET A 47 23.793 0.783 -10.914 1.00 0.00 H new ATOM 0 HG3 MET A 47 23.190 1.251 -12.491 1.00 0.00 H new ATOM 0 HE1 MET A 47 24.561 -1.726 -14.645 1.00 0.00 H new ATOM 0 HE2 MET A 47 22.928 -1.017 -14.647 1.00 0.00 H new ATOM 0 HE3 MET A 47 24.357 0.038 -14.537 1.00 0.00 H new ATOM 764 N PRO A 48 24.800 4.791 -12.266 1.00 0.00 N ATOM 765 CA PRO A 48 23.800 5.811 -12.579 1.00 0.00 C ATOM 766 C PRO A 48 22.854 5.371 -13.695 1.00 0.00 C ATOM 767 O PRO A 48 23.197 4.515 -14.520 1.00 0.00 O ATOM 768 CB PRO A 48 24.630 7.021 -13.013 1.00 0.00 C ATOM 769 CG PRO A 48 25.956 6.473 -13.421 1.00 0.00 C ATOM 770 CD PRO A 48 26.162 5.209 -12.636 1.00 0.00 C ATOM 0 HA PRO A 48 23.153 6.019 -11.727 1.00 0.00 H new ATOM 0 HB2 PRO A 48 24.153 7.548 -13.839 1.00 0.00 H new ATOM 0 HB3 PRO A 48 24.736 7.737 -12.198 1.00 0.00 H new ATOM 0 HG2 PRO A 48 25.978 6.271 -14.492 1.00 0.00 H new ATOM 0 HG3 PRO A 48 26.751 7.190 -13.215 1.00 0.00 H new ATOM 0 HD2 PRO A 48 26.665 4.447 -13.232 1.00 0.00 H new ATOM 0 HD3 PRO A 48 26.779 5.383 -11.754 1.00 0.00 H new ATOM 778 N ALA A 49 21.670 5.979 -13.723 1.00 0.00 N ATOM 779 CA ALA A 49 20.631 5.628 -14.690 1.00 0.00 C ATOM 780 C ALA A 49 21.079 5.923 -16.118 1.00 0.00 C ATOM 781 O ALA A 49 20.488 5.428 -17.079 1.00 0.00 O ATOM 782 CB ALA A 49 19.357 6.394 -14.383 1.00 0.00 C ATOM 0 H ALA A 49 21.404 6.725 -13.080 1.00 0.00 H new ATOM 0 HA ALA A 49 20.443 4.558 -14.607 1.00 0.00 H new ATOM 0 HB1 ALA A 49 18.588 6.127 -15.108 1.00 0.00 H new ATOM 0 HB2 ALA A 49 19.013 6.141 -13.380 1.00 0.00 H new ATOM 0 HB3 ALA A 49 19.553 7.465 -14.440 1.00 0.00 H new ATOM 788 N GLY A 50 22.124 6.738 -16.245 1.00 0.00 N ATOM 789 CA GLY A 50 22.677 7.079 -17.544 1.00 0.00 C ATOM 790 C GLY A 50 23.003 5.867 -18.393 1.00 0.00 C ATOM 791 O GLY A 50 22.934 5.929 -19.619 1.00 0.00 O ATOM 0 H GLY A 50 22.603 7.174 -15.457 1.00 0.00 H new ATOM 0 HA2 GLY A 50 21.967 7.709 -18.080 1.00 0.00 H new ATOM 0 HA3 GLY A 50 23.582 7.669 -17.402 1.00 0.00 H new ATOM 795 N LYS A 51 23.359 4.766 -17.742 1.00 0.00 N ATOM 796 CA LYS A 51 23.721 3.541 -18.444 1.00 0.00 C ATOM 797 C LYS A 51 22.978 2.358 -17.843 1.00 0.00 C ATOM 798 O LYS A 51 23.057 1.241 -18.344 1.00 0.00 O ATOM 799 CB LYS A 51 25.238 3.276 -18.392 1.00 0.00 C ATOM 800 CG LYS A 51 26.092 4.389 -17.778 1.00 0.00 C ATOM 801 CD LYS A 51 25.914 4.498 -16.265 1.00 0.00 C ATOM 802 CE LYS A 51 25.945 3.141 -15.588 1.00 0.00 C ATOM 803 NZ LYS A 51 27.242 2.446 -15.797 1.00 0.00 N ATOM 0 H LYS A 51 23.405 4.697 -16.725 1.00 0.00 H new ATOM 0 HA LYS A 51 23.437 3.667 -19.489 1.00 0.00 H new ATOM 0 HB2 LYS A 51 25.408 2.360 -17.826 1.00 0.00 H new ATOM 0 HB3 LYS A 51 25.590 3.093 -19.407 1.00 0.00 H new ATOM 0 HG2 LYS A 51 27.142 4.203 -18.004 1.00 0.00 H new ATOM 0 HG3 LYS A 51 25.830 5.340 -18.241 1.00 0.00 H new ATOM 0 HD2 LYS A 51 26.703 5.127 -15.852 1.00 0.00 H new ATOM 0 HD3 LYS A 51 24.966 4.990 -16.046 1.00 0.00 H new ATOM 0 HE2 LYS A 51 25.767 3.264 -14.520 1.00 0.00 H new ATOM 0 HE3 LYS A 51 25.135 2.523 -15.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 27.355 1.699 -15.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 27.260 2.022 -16.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 28.020 3.130 -15.709 1.00 0.00 H new ATOM 817 N GLN A 52 22.267 2.609 -16.761 1.00 0.00 N ATOM 818 CA GLN A 52 21.487 1.592 -16.102 1.00 0.00 C ATOM 819 C GLN A 52 20.053 1.635 -16.632 1.00 0.00 C ATOM 820 O GLN A 52 19.337 2.617 -16.451 1.00 0.00 O ATOM 821 CB GLN A 52 21.583 1.848 -14.596 1.00 0.00 C ATOM 822 CG GLN A 52 20.397 1.419 -13.754 1.00 0.00 C ATOM 823 CD GLN A 52 19.615 2.600 -13.223 1.00 0.00 C ATOM 824 OE1 GLN A 52 18.557 2.948 -13.731 1.00 0.00 O ATOM 825 NE2 GLN A 52 20.194 3.288 -12.260 1.00 0.00 N ATOM 0 H GLN A 52 22.217 3.526 -16.317 1.00 0.00 H new ATOM 0 HA GLN A 52 21.859 0.587 -16.303 1.00 0.00 H new ATOM 0 HB2 GLN A 52 22.469 1.337 -14.220 1.00 0.00 H new ATOM 0 HB3 GLN A 52 21.741 2.915 -14.442 1.00 0.00 H new ATOM 0 HG2 GLN A 52 19.738 0.789 -14.352 1.00 0.00 H new ATOM 0 HG3 GLN A 52 20.747 0.812 -12.919 1.00 0.00 H new ATOM 0 HE21 GLN A 52 21.076 2.965 -11.862 1.00 0.00 H new ATOM 0 HE22 GLN A 52 19.760 4.143 -11.913 1.00 0.00 H new ATOM 834 N LYS A 53 19.670 0.594 -17.353 1.00 0.00 N ATOM 835 CA LYS A 53 18.335 0.521 -17.932 1.00 0.00 C ATOM 836 C LYS A 53 17.437 -0.422 -17.141 1.00 0.00 C ATOM 837 O LYS A 53 17.876 -1.475 -16.676 1.00 0.00 O ATOM 838 CB LYS A 53 18.414 0.056 -19.390 1.00 0.00 C ATOM 839 CG LYS A 53 19.317 0.912 -20.276 1.00 0.00 C ATOM 840 CD LYS A 53 18.617 2.159 -20.816 1.00 0.00 C ATOM 841 CE LYS A 53 18.335 3.193 -19.733 1.00 0.00 C ATOM 842 NZ LYS A 53 17.700 4.418 -20.282 1.00 0.00 N ATOM 0 H LYS A 53 20.262 -0.212 -17.552 1.00 0.00 H new ATOM 0 HA LYS A 53 17.901 1.520 -17.892 1.00 0.00 H new ATOM 0 HB2 LYS A 53 18.773 -0.973 -19.412 1.00 0.00 H new ATOM 0 HB3 LYS A 53 17.409 0.052 -19.812 1.00 0.00 H new ATOM 0 HG2 LYS A 53 20.196 1.214 -19.706 1.00 0.00 H new ATOM 0 HG3 LYS A 53 19.671 0.310 -21.113 1.00 0.00 H new ATOM 0 HD2 LYS A 53 19.236 2.611 -21.591 1.00 0.00 H new ATOM 0 HD3 LYS A 53 17.678 1.868 -21.287 1.00 0.00 H new ATOM 0 HE2 LYS A 53 17.684 2.756 -18.976 1.00 0.00 H new ATOM 0 HE3 LYS A 53 19.268 3.460 -19.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 17.526 5.094 -19.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 18.331 4.851 -20.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 16.797 4.168 -20.734 1.00 0.00 H new ATOM 856 N LEU A 54 16.178 -0.031 -16.993 1.00 0.00 N ATOM 857 CA LEU A 54 15.194 -0.855 -16.307 1.00 0.00 C ATOM 858 C LEU A 54 14.198 -1.400 -17.317 1.00 0.00 C ATOM 859 O LEU A 54 13.540 -0.641 -18.027 1.00 0.00 O ATOM 860 CB LEU A 54 14.438 -0.062 -15.230 1.00 0.00 C ATOM 861 CG LEU A 54 15.286 0.689 -14.195 1.00 0.00 C ATOM 862 CD1 LEU A 54 16.447 -0.167 -13.716 1.00 0.00 C ATOM 863 CD2 LEU A 54 15.780 2.017 -14.751 1.00 0.00 C ATOM 0 H LEU A 54 15.814 0.856 -17.341 1.00 0.00 H new ATOM 0 HA LEU A 54 15.725 -1.671 -15.817 1.00 0.00 H new ATOM 0 HB2 LEU A 54 13.795 0.662 -15.731 1.00 0.00 H new ATOM 0 HB3 LEU A 54 13.785 -0.753 -14.696 1.00 0.00 H new ATOM 0 HG LEU A 54 14.651 0.903 -13.336 1.00 0.00 H new ATOM 0 HD11 LEU A 54 17.031 0.390 -12.983 1.00 0.00 H new ATOM 0 HD12 LEU A 54 16.062 -1.078 -13.257 1.00 0.00 H new ATOM 0 HD13 LEU A 54 17.081 -0.427 -14.564 1.00 0.00 H new ATOM 0 HD21 LEU A 54 16.378 2.528 -13.996 1.00 0.00 H new ATOM 0 HD22 LEU A 54 16.390 1.837 -15.636 1.00 0.00 H new ATOM 0 HD23 LEU A 54 14.926 2.639 -15.019 1.00 0.00 H new ATOM 875 N GLN A 55 14.098 -2.709 -17.386 1.00 0.00 N ATOM 876 CA GLN A 55 13.202 -3.351 -18.326 1.00 0.00 C ATOM 877 C GLN A 55 12.081 -4.076 -17.596 1.00 0.00 C ATOM 878 O GLN A 55 12.318 -5.042 -16.880 1.00 0.00 O ATOM 879 CB GLN A 55 13.990 -4.326 -19.194 1.00 0.00 C ATOM 880 CG GLN A 55 13.123 -5.282 -19.990 1.00 0.00 C ATOM 881 CD GLN A 55 13.928 -6.268 -20.811 1.00 0.00 C ATOM 882 OE1 GLN A 55 14.281 -7.344 -20.335 1.00 0.00 O ATOM 883 NE2 GLN A 55 14.195 -5.917 -22.060 1.00 0.00 N ATOM 0 H GLN A 55 14.628 -3.354 -16.800 1.00 0.00 H new ATOM 0 HA GLN A 55 12.750 -2.588 -18.960 1.00 0.00 H new ATOM 0 HB2 GLN A 55 14.615 -3.759 -19.883 1.00 0.00 H new ATOM 0 HB3 GLN A 55 14.660 -4.904 -18.557 1.00 0.00 H new ATOM 0 HG2 GLN A 55 12.475 -5.831 -19.307 1.00 0.00 H new ATOM 0 HG3 GLN A 55 12.475 -4.709 -20.653 1.00 0.00 H new ATOM 0 HE21 GLN A 55 13.882 -5.013 -22.414 1.00 0.00 H new ATOM 0 HE22 GLN A 55 14.713 -6.551 -22.668 1.00 0.00 H new ATOM 892 N TYR A 56 10.858 -3.629 -17.797 1.00 0.00 N ATOM 893 CA TYR A 56 9.715 -4.242 -17.142 1.00 0.00 C ATOM 894 C TYR A 56 8.990 -5.142 -18.106 1.00 0.00 C ATOM 895 O TYR A 56 8.344 -4.683 -19.040 1.00 0.00 O ATOM 896 CB TYR A 56 8.776 -3.178 -16.572 1.00 0.00 C ATOM 897 CG TYR A 56 7.450 -3.716 -16.062 1.00 0.00 C ATOM 898 CD1 TYR A 56 7.401 -4.854 -15.265 1.00 0.00 C ATOM 899 CD2 TYR A 56 6.246 -3.089 -16.379 1.00 0.00 C ATOM 900 CE1 TYR A 56 6.202 -5.351 -14.801 1.00 0.00 C ATOM 901 CE2 TYR A 56 5.044 -3.583 -15.916 1.00 0.00 C ATOM 902 CZ TYR A 56 5.027 -4.713 -15.128 1.00 0.00 C ATOM 903 OH TYR A 56 3.831 -5.205 -14.663 1.00 0.00 O ATOM 0 H TYR A 56 10.628 -2.845 -18.407 1.00 0.00 H new ATOM 0 HA TYR A 56 10.074 -4.845 -16.308 1.00 0.00 H new ATOM 0 HB2 TYR A 56 9.283 -2.664 -15.756 1.00 0.00 H new ATOM 0 HB3 TYR A 56 8.579 -2.434 -17.344 1.00 0.00 H new ATOM 0 HD1 TYR A 56 8.320 -5.358 -15.004 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.254 -2.203 -16.996 1.00 0.00 H new ATOM 0 HE1 TYR A 56 6.185 -6.237 -14.184 1.00 0.00 H new ATOM 0 HE2 TYR A 56 4.120 -3.086 -16.170 1.00 0.00 H new ATOM 0 HH TYR A 56 3.098 -4.639 -14.983 1.00 0.00 H new ATOM 913 N GLU A 57 9.147 -6.432 -17.870 1.00 0.00 N ATOM 914 CA GLU A 57 8.530 -7.463 -18.689 1.00 0.00 C ATOM 915 C GLU A 57 8.929 -7.336 -20.158 1.00 0.00 C ATOM 916 O GLU A 57 8.177 -7.715 -21.054 1.00 0.00 O ATOM 917 CB GLU A 57 7.018 -7.392 -18.534 1.00 0.00 C ATOM 918 CG GLU A 57 6.549 -7.809 -17.157 1.00 0.00 C ATOM 919 CD GLU A 57 6.827 -9.274 -16.868 1.00 0.00 C ATOM 920 OE1 GLU A 57 6.333 -10.140 -17.625 1.00 0.00 O ATOM 921 OE2 GLU A 57 7.554 -9.568 -15.897 1.00 0.00 O ATOM 0 H GLU A 57 9.709 -6.797 -17.101 1.00 0.00 H new ATOM 0 HA GLU A 57 8.887 -8.434 -18.346 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.684 -6.374 -18.733 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.550 -8.033 -19.282 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.044 -7.193 -16.406 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.479 -7.621 -17.069 1.00 0.00 H new ATOM 928 N GLY A 58 10.133 -6.830 -20.388 1.00 0.00 N ATOM 929 CA GLY A 58 10.646 -6.704 -21.742 1.00 0.00 C ATOM 930 C GLY A 58 10.470 -5.306 -22.301 1.00 0.00 C ATOM 931 O GLY A 58 10.620 -5.081 -23.503 1.00 0.00 O ATOM 0 H GLY A 58 10.767 -6.503 -19.659 1.00 0.00 H new ATOM 0 HA2 GLY A 58 11.704 -6.965 -21.752 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.135 -7.417 -22.389 1.00 0.00 H new ATOM 935 N ILE A 59 10.174 -4.361 -21.423 1.00 0.00 N ATOM 936 CA ILE A 59 9.931 -2.993 -21.830 1.00 0.00 C ATOM 937 C ILE A 59 10.956 -2.076 -21.183 1.00 0.00 C ATOM 938 O ILE A 59 11.004 -1.970 -19.958 1.00 0.00 O ATOM 939 CB ILE A 59 8.513 -2.539 -21.416 1.00 0.00 C ATOM 940 CG1 ILE A 59 7.480 -3.617 -21.766 1.00 0.00 C ATOM 941 CG2 ILE A 59 8.161 -1.215 -22.085 1.00 0.00 C ATOM 942 CD1 ILE A 59 6.121 -3.388 -21.136 1.00 0.00 C ATOM 0 H ILE A 59 10.097 -4.521 -20.419 1.00 0.00 H new ATOM 0 HA ILE A 59 10.015 -2.940 -22.915 1.00 0.00 H new ATOM 0 HB ILE A 59 8.498 -2.391 -20.336 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.366 -3.660 -22.849 1.00 0.00 H new ATOM 0 HG13 ILE A 59 7.859 -4.588 -21.447 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.159 -0.910 -21.783 1.00 0.00 H new ATOM 0 HG22 ILE A 59 8.879 -0.453 -21.783 1.00 0.00 H new ATOM 0 HG23 ILE A 59 8.192 -1.335 -23.168 1.00 0.00 H new ATOM 0 HD11 ILE A 59 5.444 -4.191 -21.429 1.00 0.00 H new ATOM 0 HD12 ILE A 59 6.221 -3.375 -20.051 1.00 0.00 H new ATOM 0 HD13 ILE A 59 5.719 -2.433 -21.475 1.00 0.00 H new ATOM 954 N PHE A 60 11.789 -1.438 -21.991 1.00 0.00 N ATOM 955 CA PHE A 60 12.769 -0.500 -21.464 1.00 0.00 C ATOM 956 C PHE A 60 12.078 0.769 -20.995 1.00 0.00 C ATOM 957 O PHE A 60 11.849 1.694 -21.773 1.00 0.00 O ATOM 958 CB PHE A 60 13.838 -0.169 -22.508 1.00 0.00 C ATOM 959 CG PHE A 60 14.817 -1.282 -22.735 1.00 0.00 C ATOM 960 CD1 PHE A 60 15.161 -2.140 -21.703 1.00 0.00 C ATOM 961 CD2 PHE A 60 15.407 -1.459 -23.975 1.00 0.00 C ATOM 962 CE1 PHE A 60 16.070 -3.161 -21.909 1.00 0.00 C ATOM 963 CE2 PHE A 60 16.314 -2.476 -24.188 1.00 0.00 C ATOM 964 CZ PHE A 60 16.651 -3.327 -23.153 1.00 0.00 C ATOM 0 H PHE A 60 11.807 -1.551 -23.005 1.00 0.00 H new ATOM 0 HA PHE A 60 13.265 -0.970 -20.615 1.00 0.00 H new ATOM 0 HB2 PHE A 60 13.350 0.073 -23.452 1.00 0.00 H new ATOM 0 HB3 PHE A 60 14.380 0.722 -22.192 1.00 0.00 H new ATOM 0 HD1 PHE A 60 14.715 -2.010 -20.728 1.00 0.00 H new ATOM 0 HD2 PHE A 60 15.154 -0.792 -24.786 1.00 0.00 H new ATOM 0 HE1 PHE A 60 16.326 -3.828 -21.099 1.00 0.00 H new ATOM 0 HE2 PHE A 60 16.760 -2.607 -25.163 1.00 0.00 H new ATOM 0 HZ PHE A 60 17.366 -4.120 -23.315 1.00 0.00 H new ATOM 974 N ILE A 61 11.722 0.789 -19.724 1.00 0.00 N ATOM 975 CA ILE A 61 11.004 1.918 -19.159 1.00 0.00 C ATOM 976 C ILE A 61 11.964 3.072 -18.884 1.00 0.00 C ATOM 977 O ILE A 61 13.155 2.862 -18.641 1.00 0.00 O ATOM 978 CB ILE A 61 10.262 1.518 -17.864 1.00 0.00 C ATOM 979 CG1 ILE A 61 11.241 1.388 -16.686 1.00 0.00 C ATOM 980 CG2 ILE A 61 9.493 0.221 -18.090 1.00 0.00 C ATOM 981 CD1 ILE A 61 10.870 0.316 -15.681 1.00 0.00 C ATOM 0 H ILE A 61 11.918 0.037 -19.063 1.00 0.00 H new ATOM 0 HA ILE A 61 10.260 2.242 -19.887 1.00 0.00 H new ATOM 0 HB ILE A 61 9.551 2.303 -17.609 1.00 0.00 H new ATOM 0 HG12 ILE A 61 12.235 1.174 -17.077 1.00 0.00 H new ATOM 0 HG13 ILE A 61 11.301 2.347 -16.171 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.971 -0.057 -17.174 1.00 0.00 H new ATOM 0 HG22 ILE A 61 8.768 0.363 -18.892 1.00 0.00 H new ATOM 0 HG23 ILE A 61 10.189 -0.571 -18.366 1.00 0.00 H new ATOM 0 HD11 ILE A 61 11.613 0.292 -14.884 1.00 0.00 H new ATOM 0 HD12 ILE A 61 9.890 0.538 -15.258 1.00 0.00 H new ATOM 0 HD13 ILE A 61 10.840 -0.654 -16.178 1.00 0.00 H new ATOM 993 N LYS A 62 11.457 4.292 -18.959 1.00 0.00 N ATOM 994 CA LYS A 62 12.272 5.460 -18.659 1.00 0.00 C ATOM 995 C LYS A 62 11.835 6.103 -17.352 1.00 0.00 C ATOM 996 O LYS A 62 10.691 5.947 -16.924 1.00 0.00 O ATOM 997 CB LYS A 62 12.256 6.484 -19.801 1.00 0.00 C ATOM 998 CG LYS A 62 10.878 6.905 -20.278 1.00 0.00 C ATOM 999 CD LYS A 62 10.521 6.226 -21.593 1.00 0.00 C ATOM 1000 CE LYS A 62 9.252 6.799 -22.204 1.00 0.00 C ATOM 1001 NZ LYS A 62 9.444 8.168 -22.751 1.00 0.00 N ATOM 0 H LYS A 62 10.494 4.499 -19.223 1.00 0.00 H new ATOM 0 HA LYS A 62 13.300 5.115 -18.550 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.797 7.373 -19.477 1.00 0.00 H new ATOM 0 HB3 LYS A 62 12.804 6.068 -20.647 1.00 0.00 H new ATOM 0 HG2 LYS A 62 10.135 6.652 -19.521 1.00 0.00 H new ATOM 0 HG3 LYS A 62 10.849 7.987 -20.404 1.00 0.00 H new ATOM 0 HD2 LYS A 62 11.346 6.341 -22.296 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.392 5.157 -21.426 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.908 6.139 -23.000 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.468 6.822 -21.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.585 8.463 -23.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.630 8.831 -21.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.251 8.170 -23.407 1.00 0.00 H new ATOM 1015 N ASP A 63 12.756 6.831 -16.735 1.00 0.00 N ATOM 1016 CA ASP A 63 12.537 7.442 -15.425 1.00 0.00 C ATOM 1017 C ASP A 63 11.561 8.610 -15.496 1.00 0.00 C ATOM 1018 O ASP A 63 11.226 9.210 -14.480 1.00 0.00 O ATOM 1019 CB ASP A 63 13.865 7.922 -14.845 1.00 0.00 C ATOM 1020 CG ASP A 63 14.549 8.951 -15.723 1.00 0.00 C ATOM 1021 OD1 ASP A 63 15.257 8.551 -16.671 1.00 0.00 O ATOM 1022 OD2 ASP A 63 14.395 10.161 -15.465 1.00 0.00 O ATOM 0 H ASP A 63 13.679 7.017 -17.127 1.00 0.00 H new ATOM 0 HA ASP A 63 12.101 6.680 -14.778 1.00 0.00 H new ATOM 0 HB2 ASP A 63 13.692 8.350 -13.858 1.00 0.00 H new ATOM 0 HB3 ASP A 63 14.528 7.067 -14.710 1.00 0.00 H new ATOM 1027 N SER A 64 11.115 8.933 -16.695 1.00 0.00 N ATOM 1028 CA SER A 64 10.119 9.974 -16.876 1.00 0.00 C ATOM 1029 C SER A 64 8.719 9.382 -16.719 1.00 0.00 C ATOM 1030 O SER A 64 7.719 10.100 -16.719 1.00 0.00 O ATOM 1031 CB SER A 64 10.282 10.616 -18.254 1.00 0.00 C ATOM 1032 OG SER A 64 9.529 11.811 -18.365 1.00 0.00 O ATOM 0 H SER A 64 11.426 8.490 -17.559 1.00 0.00 H new ATOM 0 HA SER A 64 10.258 10.744 -16.118 1.00 0.00 H new ATOM 0 HB2 SER A 64 11.335 10.831 -18.434 1.00 0.00 H new ATOM 0 HB3 SER A 64 9.965 9.912 -19.024 1.00 0.00 H new ATOM 0 HG SER A 64 8.733 11.750 -17.797 1.00 0.00 H new ATOM 1038 N ASN A 65 8.665 8.062 -16.567 1.00 0.00 N ATOM 1039 CA ASN A 65 7.410 7.352 -16.404 1.00 0.00 C ATOM 1040 C ASN A 65 7.237 6.957 -14.953 1.00 0.00 C ATOM 1041 O ASN A 65 8.120 7.186 -14.124 1.00 0.00 O ATOM 1042 CB ASN A 65 7.368 6.091 -17.270 1.00 0.00 C ATOM 1043 CG ASN A 65 7.325 6.378 -18.755 1.00 0.00 C ATOM 1044 OD1 ASN A 65 7.832 5.446 -19.540 1.00 0.00 O flip ATOM 1045 ND2 ASN A 65 6.833 7.415 -19.194 1.00 0.00 N flip ATOM 0 H ASN A 65 9.489 7.461 -16.554 1.00 0.00 H new ATOM 0 HA ASN A 65 6.604 8.016 -16.716 1.00 0.00 H new ATOM 0 HB2 ASN A 65 8.244 5.481 -17.051 1.00 0.00 H new ATOM 0 HB3 ASN A 65 6.493 5.501 -16.997 1.00 0.00 H new ATOM 0 HD21 ASN A 65 6.452 8.110 -18.552 1.00 0.00 H new ATOM 0 HD22 ASN A 65 6.806 7.581 -20.200 1.00 0.00 H new ATOM 1052 N SER A 66 6.121 6.330 -14.651 1.00 0.00 N ATOM 1053 CA SER A 66 5.826 5.937 -13.299 1.00 0.00 C ATOM 1054 C SER A 66 5.336 4.499 -13.272 1.00 0.00 C ATOM 1055 O SER A 66 5.136 3.885 -14.322 1.00 0.00 O ATOM 1056 CB SER A 66 4.788 6.889 -12.715 1.00 0.00 C ATOM 1057 OG SER A 66 3.601 6.891 -13.489 1.00 0.00 O ATOM 0 H SER A 66 5.402 6.082 -15.331 1.00 0.00 H new ATOM 0 HA SER A 66 6.728 5.992 -12.690 1.00 0.00 H new ATOM 0 HB2 SER A 66 4.557 6.595 -11.691 1.00 0.00 H new ATOM 0 HB3 SER A 66 5.199 7.898 -12.672 1.00 0.00 H new ATOM 0 HG SER A 66 2.952 7.508 -13.091 1.00 0.00 H new ATOM 1063 N LEU A 67 5.161 3.962 -12.081 1.00 0.00 N ATOM 1064 CA LEU A 67 4.707 2.593 -11.929 1.00 0.00 C ATOM 1065 C LEU A 67 3.260 2.470 -12.399 1.00 0.00 C ATOM 1066 O LEU A 67 2.910 1.545 -13.134 1.00 0.00 O ATOM 1067 CB LEU A 67 4.835 2.170 -10.466 1.00 0.00 C ATOM 1068 CG LEU A 67 6.151 2.581 -9.794 1.00 0.00 C ATOM 1069 CD1 LEU A 67 6.110 2.294 -8.306 1.00 0.00 C ATOM 1070 CD2 LEU A 67 7.335 1.878 -10.438 1.00 0.00 C ATOM 0 H LEU A 67 5.326 4.453 -11.203 1.00 0.00 H new ATOM 0 HA LEU A 67 5.325 1.935 -12.540 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.006 2.599 -9.904 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.734 1.086 -10.405 1.00 0.00 H new ATOM 0 HG LEU A 67 6.275 3.655 -9.934 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.054 2.594 -7.851 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.294 2.854 -7.850 1.00 0.00 H new ATOM 0 HD13 LEU A 67 5.953 1.227 -8.145 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.255 2.187 -9.943 1.00 0.00 H new ATOM 0 HD22 LEU A 67 7.215 0.799 -10.340 1.00 0.00 H new ATOM 0 HD23 LEU A 67 7.385 2.143 -11.494 1.00 0.00 H new ATOM 1082 N ALA A 68 2.429 3.423 -11.978 1.00 0.00 N ATOM 1083 CA ALA A 68 1.032 3.490 -12.409 1.00 0.00 C ATOM 1084 C ALA A 68 0.928 3.652 -13.921 1.00 0.00 C ATOM 1085 O ALA A 68 -0.002 3.139 -14.548 1.00 0.00 O ATOM 1086 CB ALA A 68 0.318 4.634 -11.706 1.00 0.00 C ATOM 0 H ALA A 68 2.702 4.165 -11.334 1.00 0.00 H new ATOM 0 HA ALA A 68 0.550 2.551 -12.137 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -0.720 4.672 -12.036 1.00 0.00 H new ATOM 0 HB2 ALA A 68 0.351 4.476 -10.628 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.811 5.575 -11.950 1.00 0.00 H new ATOM 1092 N TYR A 69 1.893 4.361 -14.496 1.00 0.00 N ATOM 1093 CA TYR A 69 1.952 4.577 -15.940 1.00 0.00 C ATOM 1094 C TYR A 69 1.969 3.247 -16.688 1.00 0.00 C ATOM 1095 O TYR A 69 1.239 3.064 -17.662 1.00 0.00 O ATOM 1096 CB TYR A 69 3.200 5.399 -16.282 1.00 0.00 C ATOM 1097 CG TYR A 69 3.373 5.716 -17.750 1.00 0.00 C ATOM 1098 CD1 TYR A 69 3.980 4.810 -18.608 1.00 0.00 C ATOM 1099 CD2 TYR A 69 2.945 6.927 -18.271 1.00 0.00 C ATOM 1100 CE1 TYR A 69 4.159 5.103 -19.943 1.00 0.00 C ATOM 1101 CE2 TYR A 69 3.116 7.228 -19.608 1.00 0.00 C ATOM 1102 CZ TYR A 69 3.725 6.315 -20.441 1.00 0.00 C ATOM 1103 OH TYR A 69 3.905 6.620 -21.775 1.00 0.00 O ATOM 0 H TYR A 69 2.654 4.801 -13.979 1.00 0.00 H new ATOM 0 HA TYR A 69 1.063 5.125 -16.252 1.00 0.00 H new ATOM 0 HB2 TYR A 69 3.164 6.335 -15.725 1.00 0.00 H new ATOM 0 HB3 TYR A 69 4.080 4.857 -15.937 1.00 0.00 H new ATOM 0 HD1 TYR A 69 4.318 3.859 -18.223 1.00 0.00 H new ATOM 0 HD2 TYR A 69 2.470 7.647 -17.621 1.00 0.00 H new ATOM 0 HE1 TYR A 69 4.637 4.388 -20.596 1.00 0.00 H new ATOM 0 HE2 TYR A 69 2.774 8.175 -19.999 1.00 0.00 H new ATOM 0 HH TYR A 69 3.541 7.511 -21.959 1.00 0.00 H new ATOM 1113 N TYR A 70 2.798 2.323 -16.219 1.00 0.00 N ATOM 1114 CA TYR A 70 2.912 1.010 -16.846 1.00 0.00 C ATOM 1115 C TYR A 70 1.962 0.002 -16.219 1.00 0.00 C ATOM 1116 O TYR A 70 1.918 -1.152 -16.644 1.00 0.00 O ATOM 1117 CB TYR A 70 4.345 0.486 -16.755 1.00 0.00 C ATOM 1118 CG TYR A 70 5.272 1.098 -17.774 1.00 0.00 C ATOM 1119 CD1 TYR A 70 5.308 0.612 -19.074 1.00 0.00 C ATOM 1120 CD2 TYR A 70 6.101 2.156 -17.443 1.00 0.00 C ATOM 1121 CE1 TYR A 70 6.147 1.167 -20.016 1.00 0.00 C ATOM 1122 CE2 TYR A 70 6.941 2.717 -18.381 1.00 0.00 C ATOM 1123 CZ TYR A 70 6.962 2.219 -19.665 1.00 0.00 C ATOM 1124 OH TYR A 70 7.796 2.777 -20.604 1.00 0.00 O ATOM 0 H TYR A 70 3.401 2.457 -15.407 1.00 0.00 H new ATOM 0 HA TYR A 70 2.639 1.133 -17.894 1.00 0.00 H new ATOM 0 HB2 TYR A 70 4.734 0.684 -15.756 1.00 0.00 H new ATOM 0 HB3 TYR A 70 4.337 -0.596 -16.885 1.00 0.00 H new ATOM 0 HD1 TYR A 70 4.669 -0.213 -19.351 1.00 0.00 H new ATOM 0 HD2 TYR A 70 6.090 2.547 -16.436 1.00 0.00 H new ATOM 0 HE1 TYR A 70 6.165 0.779 -21.024 1.00 0.00 H new ATOM 0 HE2 TYR A 70 7.580 3.544 -18.110 1.00 0.00 H new ATOM 0 HH TYR A 70 7.944 3.722 -20.390 1.00 0.00 H new ATOM 1134 N ASN A 71 1.203 0.443 -15.219 1.00 0.00 N ATOM 1135 CA ASN A 71 0.255 -0.426 -14.515 1.00 0.00 C ATOM 1136 C ASN A 71 0.983 -1.547 -13.789 1.00 0.00 C ATOM 1137 O ASN A 71 0.530 -2.690 -13.792 1.00 0.00 O ATOM 1138 CB ASN A 71 -0.772 -1.028 -15.488 1.00 0.00 C ATOM 1139 CG ASN A 71 -1.698 0.002 -16.103 1.00 0.00 C ATOM 1140 OD1 ASN A 71 -2.035 1.036 -15.348 1.00 0.00 O flip ATOM 1141 ND2 ASN A 71 -2.116 -0.138 -17.253 1.00 0.00 N flip ATOM 0 H ASN A 71 1.224 1.403 -14.874 1.00 0.00 H new ATOM 0 HA ASN A 71 -0.270 0.190 -13.785 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -0.243 -1.551 -16.285 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.368 -1.772 -14.960 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -1.833 -0.949 -17.803 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -2.745 0.557 -17.655 1.00 0.00 H new ATOM 1148 N MET A 72 2.108 -1.216 -13.161 1.00 0.00 N ATOM 1149 CA MET A 72 2.884 -2.205 -12.421 1.00 0.00 C ATOM 1150 C MET A 72 2.099 -2.749 -11.232 1.00 0.00 C ATOM 1151 O MET A 72 2.095 -2.168 -10.149 1.00 0.00 O ATOM 1152 CB MET A 72 4.209 -1.612 -11.937 1.00 0.00 C ATOM 1153 CG MET A 72 5.177 -1.274 -13.057 1.00 0.00 C ATOM 1154 SD MET A 72 6.771 -0.711 -12.439 1.00 0.00 S ATOM 1155 CE MET A 72 7.713 -0.605 -13.952 1.00 0.00 C ATOM 0 H MET A 72 2.501 -0.275 -13.150 1.00 0.00 H new ATOM 0 HA MET A 72 3.094 -3.028 -13.104 1.00 0.00 H new ATOM 0 HB2 MET A 72 4.003 -0.709 -11.363 1.00 0.00 H new ATOM 0 HB3 MET A 72 4.686 -2.319 -11.259 1.00 0.00 H new ATOM 0 HG2 MET A 72 5.324 -2.153 -13.685 1.00 0.00 H new ATOM 0 HG3 MET A 72 4.741 -0.500 -13.689 1.00 0.00 H new ATOM 0 HE1 MET A 72 8.752 -0.868 -13.753 1.00 0.00 H new ATOM 0 HE2 MET A 72 7.299 -1.295 -14.687 1.00 0.00 H new ATOM 0 HE3 MET A 72 7.664 0.412 -14.341 1.00 0.00 H new ATOM 1165 N ALA A 73 1.413 -3.857 -11.458 1.00 0.00 N ATOM 1166 CA ALA A 73 0.647 -4.513 -10.413 1.00 0.00 C ATOM 1167 C ALA A 73 1.569 -5.190 -9.406 1.00 0.00 C ATOM 1168 O ALA A 73 2.793 -5.178 -9.556 1.00 0.00 O ATOM 1169 CB ALA A 73 -0.311 -5.528 -11.020 1.00 0.00 C ATOM 0 H ALA A 73 1.372 -4.324 -12.364 1.00 0.00 H new ATOM 0 HA ALA A 73 0.068 -3.754 -9.886 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.879 -6.012 -10.226 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.997 -5.021 -11.699 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.255 -6.279 -11.571 1.00 0.00 H new ATOM 1175 N ASN A 74 0.976 -5.787 -8.382 1.00 0.00 N ATOM 1176 CA ASN A 74 1.741 -6.447 -7.337 1.00 0.00 C ATOM 1177 C ASN A 74 2.501 -7.636 -7.914 1.00 0.00 C ATOM 1178 O ASN A 74 1.902 -8.608 -8.383 1.00 0.00 O ATOM 1179 CB ASN A 74 0.800 -6.890 -6.213 1.00 0.00 C ATOM 1180 CG ASN A 74 1.528 -7.239 -4.927 1.00 0.00 C ATOM 1181 OD1 ASN A 74 2.655 -7.732 -4.938 1.00 0.00 O ATOM 1182 ND2 ASN A 74 0.891 -6.963 -3.799 1.00 0.00 N ATOM 0 H ASN A 74 -0.035 -5.827 -8.254 1.00 0.00 H new ATOM 0 HA ASN A 74 2.470 -5.749 -6.925 1.00 0.00 H new ATOM 0 HB2 ASN A 74 0.083 -6.094 -6.013 1.00 0.00 H new ATOM 0 HB3 ASN A 74 0.229 -7.756 -6.546 1.00 0.00 H new ATOM 0 HD21 ASN A 74 1.335 -7.159 -2.902 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -0.043 -6.554 -3.828 1.00 0.00 H new ATOM 1189 N GLY A 75 3.822 -7.544 -7.880 1.00 0.00 N ATOM 1190 CA GLY A 75 4.659 -8.577 -8.447 1.00 0.00 C ATOM 1191 C GLY A 75 5.316 -8.136 -9.742 1.00 0.00 C ATOM 1192 O GLY A 75 5.615 -8.963 -10.599 1.00 0.00 O ATOM 0 H GLY A 75 4.332 -6.764 -7.465 1.00 0.00 H new ATOM 0 HA2 GLY A 75 5.429 -8.854 -7.727 1.00 0.00 H new ATOM 0 HA3 GLY A 75 4.059 -9.468 -8.631 1.00 0.00 H new ATOM 1196 N ALA A 76 5.543 -6.835 -9.885 1.00 0.00 N ATOM 1197 CA ALA A 76 6.149 -6.298 -11.098 1.00 0.00 C ATOM 1198 C ALA A 76 7.625 -6.664 -11.162 1.00 0.00 C ATOM 1199 O ALA A 76 8.420 -6.242 -10.320 1.00 0.00 O ATOM 1200 CB ALA A 76 5.963 -4.789 -11.152 1.00 0.00 C ATOM 0 H ALA A 76 5.317 -6.135 -9.179 1.00 0.00 H new ATOM 0 HA ALA A 76 5.653 -6.738 -11.963 1.00 0.00 H new ATOM 0 HB1 ALA A 76 6.419 -4.398 -12.062 1.00 0.00 H new ATOM 0 HB2 ALA A 76 4.899 -4.553 -11.150 1.00 0.00 H new ATOM 0 HB3 ALA A 76 6.438 -4.333 -10.283 1.00 0.00 H new ATOM 1206 N VAL A 77 7.986 -7.468 -12.152 1.00 0.00 N ATOM 1207 CA VAL A 77 9.357 -7.929 -12.293 1.00 0.00 C ATOM 1208 C VAL A 77 10.129 -7.040 -13.254 1.00 0.00 C ATOM 1209 O VAL A 77 9.958 -7.123 -14.473 1.00 0.00 O ATOM 1210 CB VAL A 77 9.432 -9.382 -12.807 1.00 0.00 C ATOM 1211 CG1 VAL A 77 10.856 -9.914 -12.698 1.00 0.00 C ATOM 1212 CG2 VAL A 77 8.457 -10.278 -12.061 1.00 0.00 C ATOM 0 H VAL A 77 7.348 -7.814 -12.869 1.00 0.00 H new ATOM 0 HA VAL A 77 9.800 -7.884 -11.298 1.00 0.00 H new ATOM 0 HB VAL A 77 9.145 -9.386 -13.859 1.00 0.00 H new ATOM 0 HG11 VAL A 77 10.890 -10.940 -13.065 1.00 0.00 H new ATOM 0 HG12 VAL A 77 11.523 -9.293 -13.295 1.00 0.00 H new ATOM 0 HG13 VAL A 77 11.174 -9.891 -11.656 1.00 0.00 H new ATOM 0 HG21 VAL A 77 8.532 -11.296 -12.444 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.698 -10.272 -10.998 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.441 -9.910 -12.205 1.00 0.00 H new ATOM 1222 N ILE A 78 10.969 -6.180 -12.709 1.00 0.00 N ATOM 1223 CA ILE A 78 11.817 -5.341 -13.531 1.00 0.00 C ATOM 1224 C ILE A 78 13.161 -6.018 -13.693 1.00 0.00 C ATOM 1225 O ILE A 78 13.625 -6.721 -12.801 1.00 0.00 O ATOM 1226 CB ILE A 78 12.029 -3.930 -12.935 1.00 0.00 C ATOM 1227 CG1 ILE A 78 10.731 -3.393 -12.322 1.00 0.00 C ATOM 1228 CG2 ILE A 78 12.544 -2.973 -14.002 1.00 0.00 C ATOM 1229 CD1 ILE A 78 9.526 -3.522 -13.221 1.00 0.00 C ATOM 0 H ILE A 78 11.081 -6.045 -11.704 1.00 0.00 H new ATOM 0 HA ILE A 78 11.318 -5.212 -14.491 1.00 0.00 H new ATOM 0 HB ILE A 78 12.774 -4.006 -12.143 1.00 0.00 H new ATOM 0 HG12 ILE A 78 10.535 -3.924 -11.391 1.00 0.00 H new ATOM 0 HG13 ILE A 78 10.870 -2.342 -12.067 1.00 0.00 H new ATOM 0 HG21 ILE A 78 12.688 -1.985 -13.565 1.00 0.00 H new ATOM 0 HG22 ILE A 78 13.494 -3.339 -14.391 1.00 0.00 H new ATOM 0 HG23 ILE A 78 11.819 -2.909 -14.814 1.00 0.00 H new ATOM 0 HD11 ILE A 78 8.649 -3.120 -12.714 1.00 0.00 H new ATOM 0 HD12 ILE A 78 9.699 -2.967 -14.143 1.00 0.00 H new ATOM 0 HD13 ILE A 78 9.358 -4.573 -13.456 1.00 0.00 H new ATOM 1241 N HIS A 79 13.767 -5.830 -14.838 1.00 0.00 N ATOM 1242 CA HIS A 79 15.052 -6.426 -15.131 1.00 0.00 C ATOM 1243 C HIS A 79 16.065 -5.327 -15.324 1.00 0.00 C ATOM 1244 O HIS A 79 15.977 -4.551 -16.276 1.00 0.00 O ATOM 1245 CB HIS A 79 14.989 -7.303 -16.390 1.00 0.00 C ATOM 1246 CG HIS A 79 14.003 -8.426 -16.300 1.00 0.00 C ATOM 1247 ND1 HIS A 79 14.341 -9.751 -16.477 1.00 0.00 N ATOM 1248 CD2 HIS A 79 12.672 -8.410 -16.075 1.00 0.00 C ATOM 1249 CE1 HIS A 79 13.257 -10.500 -16.371 1.00 0.00 C ATOM 1250 NE2 HIS A 79 12.229 -9.709 -16.124 1.00 0.00 N ATOM 0 H HIS A 79 13.387 -5.261 -15.594 1.00 0.00 H new ATOM 0 HA HIS A 79 15.340 -7.065 -14.296 1.00 0.00 H new ATOM 0 HB2 HIS A 79 14.734 -6.676 -17.245 1.00 0.00 H new ATOM 0 HB3 HIS A 79 15.979 -7.717 -16.582 1.00 0.00 H new ATOM 0 HD2 HIS A 79 12.066 -7.535 -15.890 1.00 0.00 H new ATOM 0 HE1 HIS A 79 13.219 -11.575 -16.470 1.00 0.00 H new ATOM 0 HE2 HIS A 79 11.264 -10.013 -15.991 1.00 0.00 H new ATOM 1259 N LEU A 80 16.989 -5.234 -14.398 1.00 0.00 N ATOM 1260 CA LEU A 80 18.061 -4.268 -14.510 1.00 0.00 C ATOM 1261 C LEU A 80 19.084 -4.765 -15.511 1.00 0.00 C ATOM 1262 O LEU A 80 19.501 -5.923 -15.465 1.00 0.00 O ATOM 1263 CB LEU A 80 18.735 -4.029 -13.160 1.00 0.00 C ATOM 1264 CG LEU A 80 20.035 -3.223 -13.228 1.00 0.00 C ATOM 1265 CD1 LEU A 80 19.779 -1.837 -13.791 1.00 0.00 C ATOM 1266 CD2 LEU A 80 20.685 -3.125 -11.864 1.00 0.00 C ATOM 0 H LEU A 80 17.022 -5.813 -13.559 1.00 0.00 H new ATOM 0 HA LEU A 80 17.638 -3.322 -14.849 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.035 -3.509 -12.507 1.00 0.00 H new ATOM 0 HB3 LEU A 80 18.945 -4.994 -12.698 1.00 0.00 H new ATOM 0 HG LEU A 80 20.719 -3.748 -13.895 1.00 0.00 H new ATOM 0 HD11 LEU A 80 20.716 -1.282 -13.830 1.00 0.00 H new ATOM 0 HD12 LEU A 80 19.366 -1.923 -14.796 1.00 0.00 H new ATOM 0 HD13 LEU A 80 19.071 -1.310 -13.152 1.00 0.00 H new ATOM 0 HD21 LEU A 80 21.606 -2.548 -11.941 1.00 0.00 H new ATOM 0 HD22 LEU A 80 20.004 -2.631 -11.171 1.00 0.00 H new ATOM 0 HD23 LEU A 80 20.913 -4.126 -11.497 1.00 0.00 H new ATOM 1278 N ALA A 81 19.481 -3.902 -16.413 1.00 0.00 N ATOM 1279 CA ALA A 81 20.447 -4.269 -17.417 1.00 0.00 C ATOM 1280 C ALA A 81 21.338 -3.090 -17.741 1.00 0.00 C ATOM 1281 O ALA A 81 20.908 -1.935 -17.674 1.00 0.00 O ATOM 1282 CB ALA A 81 19.738 -4.763 -18.665 1.00 0.00 C ATOM 0 H ALA A 81 19.149 -2.939 -16.472 1.00 0.00 H new ATOM 0 HA ALA A 81 21.071 -5.075 -17.031 1.00 0.00 H new ATOM 0 HB1 ALA A 81 20.476 -5.038 -19.418 1.00 0.00 H new ATOM 0 HB2 ALA A 81 19.130 -5.633 -18.418 1.00 0.00 H new ATOM 0 HB3 ALA A 81 19.097 -3.973 -19.056 1.00 0.00 H new ATOM 1288 N LEU A 82 22.582 -3.372 -18.067 1.00 0.00 N ATOM 1289 CA LEU A 82 23.481 -2.334 -18.503 1.00 0.00 C ATOM 1290 C LEU A 82 23.167 -2.004 -19.949 1.00 0.00 C ATOM 1291 O LEU A 82 22.931 -2.909 -20.756 1.00 0.00 O ATOM 1292 CB LEU A 82 24.939 -2.766 -18.342 1.00 0.00 C ATOM 1293 CG LEU A 82 25.973 -1.668 -18.587 1.00 0.00 C ATOM 1294 CD1 LEU A 82 25.723 -0.480 -17.671 1.00 0.00 C ATOM 1295 CD2 LEU A 82 27.368 -2.209 -18.366 1.00 0.00 C ATOM 0 H LEU A 82 22.988 -4.307 -18.037 1.00 0.00 H new ATOM 0 HA LEU A 82 23.343 -1.446 -17.886 1.00 0.00 H new ATOM 0 HB2 LEU A 82 25.077 -3.154 -17.333 1.00 0.00 H new ATOM 0 HB3 LEU A 82 25.136 -3.588 -19.030 1.00 0.00 H new ATOM 0 HG LEU A 82 25.881 -1.333 -19.620 1.00 0.00 H new ATOM 0 HD11 LEU A 82 26.470 0.290 -17.862 1.00 0.00 H new ATOM 0 HD12 LEU A 82 24.729 -0.076 -17.862 1.00 0.00 H new ATOM 0 HD13 LEU A 82 25.790 -0.801 -16.632 1.00 0.00 H new ATOM 0 HD21 LEU A 82 28.097 -1.418 -18.543 1.00 0.00 H new ATOM 0 HD22 LEU A 82 27.462 -2.566 -17.340 1.00 0.00 H new ATOM 0 HD23 LEU A 82 27.552 -3.033 -19.055 1.00 0.00 H new