USER MOD reduce.3.24.130724 H: found=0, std=0, add=1143, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1141 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 120 SER OG : rot 36:sc= 0.171 USER MOD Set 1.2: A 130 HIS :FLIP no HE2:sc= -16.5! C(o=-18!,f=-16!) USER MOD Set 2.1: A 97 GLN : amide:sc= -2.42! X(o=-1.9!,f=-1.6) USER MOD Set 2.2: A 99 SER OG : rot -90:sc= 0.563 USER MOD Set 3.1: A 5 LYS NZ :NH3+ -157:sc= 0 (180deg=0) USER MOD Set 3.2: A 10 LYS NZ :NH3+ 171:sc= 0.598 (180deg=0.542) USER MOD Set 3.3: A 13 GLN : amide:sc= -0.0836 X(o=0.51,f=0.05) USER MOD Set 4.1: A 6 SER OG : rot -25:sc= 1.06 USER MOD Set 4.2: A 124 THR OG1 : rot 139:sc= -0.921! USER MOD Set 4.3: A 125 THR OG1 : rot -154:sc= 0.973 USER MOD Set 4.4: A 126 ASN : amide:sc= -4.43! C(o=-3.3!,f=-6!) USER MOD Single : A 1 GLY N :NH3+ -170:sc= 0 (180deg=-0.0878) USER MOD Single : A 3 MET CE :methyl -160:sc= -0.0567 (180deg=-0.683) USER MOD Single : A 8 HIS :FLIP no HD1:sc= -1.78! C(o=-3.8!,f=-1.8!) USER MOD Single : A 12 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.04) USER MOD Single : A 15 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.0603) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.0145 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot -21:sc= 0.235! USER MOD Single : A 35 GLN : amide:sc= -6.54! C(o=-6.5!,f=-8.3!) USER MOD Single : A 40 THR OG1 : rot 150:sc= -0.034 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.0557 USER MOD Single : A 46 ASN :FLIP amide:sc= 0.357 F(o=-4!,f=0.36) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl 178:sc= -0.042 (180deg=-0.0549) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.0238 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 156:sc= -0.0163 (180deg=-0.144) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 GLN :FLIP amide:sc= -0.181 F(o=-1.9!,f=-0.18) USER MOD Single : A 69 ASN : amide:sc= -2.46! C(o=-2.5!,f=-3.4!) USER MOD Single : A 73 TYR OH : rot 100:sc= -1.18 USER MOD Single : A 74 HIS :FLIP no HD1:sc= -1.63 F(o=-2.2!,f=-1.6) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.57 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.122 USER MOD Single : A 91 ASN : amide:sc= -0.322 X(o=-0.32,f=-0.68) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -160:sc= -0.444 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc=-0.00603 K(o=-0.006,f=-1.7!) USER MOD Single : A 109 THR OG1 : rot 78:sc= 0.125 USER MOD Single : A 113 ASN :FLIP amide:sc= -0.23 F(o=-2.2!,f=-0.23) USER MOD Single : A 116 LYS NZ :NH3+ -99:sc= -0.299 (180deg=-1.37) USER MOD Single : A 117 SER OG : rot 150:sc= -0.472 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 MET CE :methyl 172:sc= 0 (180deg=-0.00918) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -22.012 8.922 -3.618 1.00 0.00 N ATOM 2 CA GLY A 1 -20.648 9.226 -3.203 1.00 0.00 C ATOM 3 C GLY A 1 -20.634 9.930 -1.850 1.00 0.00 C ATOM 4 O GLY A 1 -19.788 9.646 -1.001 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.991 8.299 -4.450 1.00 0.00 H new ATOM 0 H2 GLY A 1 -22.513 8.446 -2.841 1.00 0.00 H new ATOM 0 H3 GLY A 1 -22.506 9.805 -3.859 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.068 8.305 -3.144 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.168 9.858 -3.951 1.00 0.00 H new ATOM 8 N ALA A 2 -21.576 10.847 -1.656 1.00 0.00 N ATOM 9 CA ALA A 2 -21.663 11.586 -0.402 1.00 0.00 C ATOM 10 C ALA A 2 -20.327 12.245 -0.075 1.00 0.00 C ATOM 11 O ALA A 2 -19.379 12.171 -0.857 1.00 0.00 O ATOM 12 CB ALA A 2 -22.057 10.641 0.735 1.00 0.00 C ATOM 0 H ALA A 2 -22.285 11.095 -2.346 1.00 0.00 H new ATOM 0 HA ALA A 2 -22.422 12.361 -0.511 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -22.120 11.201 1.668 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -23.026 10.192 0.516 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -21.307 9.856 0.832 1.00 0.00 H new ATOM 18 N MET A 3 -20.259 12.886 1.085 1.00 0.00 N ATOM 19 CA MET A 3 -19.032 13.551 1.507 1.00 0.00 C ATOM 20 C MET A 3 -18.096 12.555 2.184 1.00 0.00 C ATOM 21 O MET A 3 -18.162 11.355 1.918 1.00 0.00 O ATOM 22 CB MET A 3 -19.361 14.689 2.476 1.00 0.00 C ATOM 23 CG MET A 3 -20.588 15.455 1.971 1.00 0.00 C ATOM 24 SD MET A 3 -20.352 15.903 0.232 1.00 0.00 S ATOM 25 CE MET A 3 -18.998 17.080 0.473 1.00 0.00 C ATOM 0 H MET A 3 -21.032 12.960 1.746 1.00 0.00 H new ATOM 0 HA MET A 3 -18.537 13.960 0.626 1.00 0.00 H new ATOM 0 HB2 MET A 3 -19.554 14.288 3.471 1.00 0.00 H new ATOM 0 HB3 MET A 3 -18.509 15.363 2.563 1.00 0.00 H new ATOM 0 HG2 MET A 3 -21.482 14.842 2.081 1.00 0.00 H new ATOM 0 HG3 MET A 3 -20.741 16.352 2.571 1.00 0.00 H new ATOM 0 HE1 MET A 3 -18.927 17.736 -0.395 1.00 0.00 H new ATOM 0 HE2 MET A 3 -19.190 17.677 1.364 1.00 0.00 H new ATOM 0 HE3 MET A 3 -18.061 16.537 0.595 1.00 0.00 H new ATOM 35 N GLU A 4 -17.229 13.064 3.055 1.00 0.00 N ATOM 36 CA GLU A 4 -16.277 12.217 3.770 1.00 0.00 C ATOM 37 C GLU A 4 -15.392 11.449 2.791 1.00 0.00 C ATOM 38 O GLU A 4 -15.867 10.925 1.785 1.00 0.00 O ATOM 39 CB GLU A 4 -17.018 11.232 4.677 1.00 0.00 C ATOM 40 CG GLU A 4 -17.827 12.006 5.720 1.00 0.00 C ATOM 41 CD GLU A 4 -16.970 12.266 6.954 1.00 0.00 C ATOM 42 OE1 GLU A 4 -16.486 13.377 7.093 1.00 0.00 O ATOM 43 OE2 GLU A 4 -16.809 11.349 7.743 1.00 0.00 O ATOM 0 H GLU A 4 -17.165 14.056 3.283 1.00 0.00 H new ATOM 0 HA GLU A 4 -15.645 12.861 4.381 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -17.680 10.602 4.083 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -16.306 10.571 5.171 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -18.170 12.951 5.299 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -18.716 11.439 5.997 1.00 0.00 H new ATOM 50 N LYS A 5 -14.099 11.390 3.095 1.00 0.00 N ATOM 51 CA LYS A 5 -13.154 10.684 2.235 1.00 0.00 C ATOM 52 C LYS A 5 -12.774 9.340 2.846 1.00 0.00 C ATOM 53 O LYS A 5 -12.021 9.275 3.817 1.00 0.00 O ATOM 54 CB LYS A 5 -11.896 11.533 2.034 1.00 0.00 C ATOM 55 CG LYS A 5 -12.121 12.521 0.885 1.00 0.00 C ATOM 56 CD LYS A 5 -11.663 11.890 -0.433 1.00 0.00 C ATOM 57 CE LYS A 5 -11.896 12.872 -1.584 1.00 0.00 C ATOM 58 NZ LYS A 5 -10.610 13.538 -1.937 1.00 0.00 N ATOM 0 H LYS A 5 -13.684 11.818 3.923 1.00 0.00 H new ATOM 0 HA LYS A 5 -13.630 10.508 1.270 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -11.659 12.073 2.951 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -11.043 10.891 1.813 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -13.176 12.789 0.824 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -11.568 13.442 1.070 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -10.607 11.628 -0.374 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -12.211 10.965 -0.614 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -12.295 12.345 -2.451 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -12.637 13.618 -1.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -10.806 14.443 -2.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -10.060 13.712 -1.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -10.065 12.924 -2.575 1.00 0.00 H new ATOM 72 N SER A 6 -13.303 8.266 2.270 1.00 0.00 N ATOM 73 CA SER A 6 -13.012 6.928 2.766 1.00 0.00 C ATOM 74 C SER A 6 -11.929 6.271 1.919 1.00 0.00 C ATOM 75 O SER A 6 -11.517 6.808 0.892 1.00 0.00 O ATOM 76 CB SER A 6 -14.280 6.073 2.740 1.00 0.00 C ATOM 77 OG SER A 6 -14.897 6.111 4.021 1.00 0.00 O ATOM 0 H SER A 6 -13.930 8.296 1.466 1.00 0.00 H new ATOM 0 HA SER A 6 -12.655 7.008 3.793 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.968 6.445 1.981 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.034 5.045 2.472 1.00 0.00 H new ATOM 0 HG SER A 6 -14.222 6.307 4.704 1.00 0.00 H new ATOM 83 N LEU A 7 -11.466 5.109 2.365 1.00 0.00 N ATOM 84 CA LEU A 7 -10.420 4.387 1.651 1.00 0.00 C ATOM 85 C LEU A 7 -10.873 4.025 0.236 1.00 0.00 C ATOM 86 O LEU A 7 -10.286 4.480 -0.751 1.00 0.00 O ATOM 87 CB LEU A 7 -10.072 3.106 2.418 1.00 0.00 C ATOM 88 CG LEU A 7 -8.841 3.336 3.299 1.00 0.00 C ATOM 89 CD1 LEU A 7 -8.871 2.361 4.479 1.00 0.00 C ATOM 90 CD2 LEU A 7 -7.581 3.086 2.473 1.00 0.00 C ATOM 0 H LEU A 7 -11.796 4.649 3.213 1.00 0.00 H new ATOM 0 HA LEU A 7 -9.543 5.030 1.579 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -10.918 2.801 3.034 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -9.880 2.294 1.717 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.843 4.360 3.671 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.995 2.523 5.107 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.774 2.527 5.066 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -8.865 1.337 4.105 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.700 3.248 3.095 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.583 2.059 2.108 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.559 3.772 1.626 1.00 0.00 H new ATOM 102 N HIS A 8 -11.920 3.211 0.143 1.00 0.00 N ATOM 103 CA HIS A 8 -12.442 2.803 -1.157 1.00 0.00 C ATOM 104 C HIS A 8 -12.744 4.027 -2.009 1.00 0.00 C ATOM 105 O HIS A 8 -12.460 4.048 -3.206 1.00 0.00 O ATOM 106 CB HIS A 8 -13.714 1.972 -0.972 1.00 0.00 C ATOM 107 CG HIS A 8 -14.331 2.270 0.370 1.00 0.00 C ATOM 108 ND1 HIS A 8 -14.049 1.806 1.633 1.00 0.00 N flip ATOM 109 CD2 HIS A 8 -15.396 3.145 0.519 1.00 0.00 C flip ATOM 110 CE1 HIS A 8 -14.924 2.383 2.550 1.00 0.00 C flip ATOM 111 NE2 HIS A 8 -15.713 3.181 1.827 1.00 0.00 N flip ATOM 0 H HIS A 8 -12.420 2.824 0.944 1.00 0.00 H new ATOM 0 HA HIS A 8 -11.690 2.197 -1.663 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -14.425 2.198 -1.767 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -13.479 0.910 -1.046 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -15.883 3.698 -0.271 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -14.957 2.220 3.617 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -16.465 3.749 2.218 1.00 0.00 H new ATOM 120 N GLU A 9 -13.315 5.050 -1.385 1.00 0.00 N ATOM 121 CA GLU A 9 -13.640 6.276 -2.101 1.00 0.00 C ATOM 122 C GLU A 9 -12.407 6.797 -2.833 1.00 0.00 C ATOM 123 O GLU A 9 -12.472 7.164 -4.005 1.00 0.00 O ATOM 124 CB GLU A 9 -14.146 7.334 -1.119 1.00 0.00 C ATOM 125 CG GLU A 9 -14.623 8.566 -1.894 1.00 0.00 C ATOM 126 CD GLU A 9 -16.094 8.835 -1.591 1.00 0.00 C ATOM 127 OE1 GLU A 9 -16.435 9.988 -1.386 1.00 0.00 O ATOM 128 OE2 GLU A 9 -16.859 7.884 -1.568 1.00 0.00 O ATOM 0 H GLU A 9 -13.560 5.056 -0.395 1.00 0.00 H new ATOM 0 HA GLU A 9 -14.421 6.062 -2.830 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -14.962 6.929 -0.521 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -13.351 7.612 -0.427 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -14.022 9.433 -1.620 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -14.486 8.408 -2.964 1.00 0.00 H new ATOM 135 N LYS A 10 -11.277 6.820 -2.134 1.00 0.00 N ATOM 136 CA LYS A 10 -10.034 7.292 -2.733 1.00 0.00 C ATOM 137 C LYS A 10 -9.649 6.415 -3.919 1.00 0.00 C ATOM 138 O LYS A 10 -9.339 6.919 -4.999 1.00 0.00 O ATOM 139 CB LYS A 10 -8.910 7.271 -1.695 1.00 0.00 C ATOM 140 CG LYS A 10 -7.873 8.343 -2.040 1.00 0.00 C ATOM 141 CD LYS A 10 -8.253 9.658 -1.357 1.00 0.00 C ATOM 142 CE LYS A 10 -7.314 10.769 -1.829 1.00 0.00 C ATOM 143 NZ LYS A 10 -7.763 11.267 -3.160 1.00 0.00 N ATOM 0 H LYS A 10 -11.196 6.521 -1.162 1.00 0.00 H new ATOM 0 HA LYS A 10 -10.185 8.314 -3.081 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -9.317 7.451 -0.700 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.439 6.288 -1.674 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.883 8.025 -1.714 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -7.824 8.483 -3.120 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -9.286 9.916 -1.591 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -8.189 9.549 -0.274 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -7.307 11.585 -1.107 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.293 10.393 -1.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.223 12.119 -3.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -7.604 10.531 -3.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -8.776 11.499 -3.120 1.00 0.00 H new ATOM 157 N LEU A 11 -9.669 5.101 -3.713 1.00 0.00 N ATOM 158 CA LEU A 11 -9.314 4.169 -4.783 1.00 0.00 C ATOM 159 C LEU A 11 -10.304 4.270 -5.937 1.00 0.00 C ATOM 160 O LEU A 11 -9.953 4.024 -7.091 1.00 0.00 O ATOM 161 CB LEU A 11 -9.302 2.739 -4.248 1.00 0.00 C ATOM 162 CG LEU A 11 -8.473 2.686 -2.967 1.00 0.00 C ATOM 163 CD1 LEU A 11 -8.446 1.255 -2.430 1.00 0.00 C ATOM 164 CD2 LEU A 11 -7.044 3.148 -3.265 1.00 0.00 C ATOM 0 H LEU A 11 -9.923 4.661 -2.829 1.00 0.00 H new ATOM 0 HA LEU A 11 -8.321 4.431 -5.148 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -10.320 2.404 -4.050 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.884 2.063 -4.994 1.00 0.00 H new ATOM 0 HG LEU A 11 -8.920 3.342 -2.220 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -7.854 1.221 -1.516 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -9.463 0.928 -2.216 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.002 0.595 -3.175 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -6.451 3.110 -2.351 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.598 2.493 -4.013 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.063 4.170 -3.643 1.00 0.00 H new ATOM 176 N LYS A 12 -11.541 4.631 -5.618 1.00 0.00 N ATOM 177 CA LYS A 12 -12.571 4.759 -6.640 1.00 0.00 C ATOM 178 C LYS A 12 -12.554 6.159 -7.246 1.00 0.00 C ATOM 179 O LYS A 12 -13.137 6.395 -8.304 1.00 0.00 O ATOM 180 CB LYS A 12 -13.950 4.477 -6.034 1.00 0.00 C ATOM 181 CG LYS A 12 -14.049 3.020 -5.570 1.00 0.00 C ATOM 182 CD LYS A 12 -15.034 2.911 -4.402 1.00 0.00 C ATOM 183 CE LYS A 12 -16.444 3.281 -4.875 1.00 0.00 C ATOM 184 NZ LYS A 12 -16.818 4.613 -4.323 1.00 0.00 N ATOM 0 H LYS A 12 -11.853 4.838 -4.669 1.00 0.00 H new ATOM 0 HA LYS A 12 -12.367 4.033 -7.427 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -14.126 5.145 -5.191 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -14.726 4.683 -6.771 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -14.378 2.388 -6.395 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -13.067 2.659 -5.264 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -15.029 1.896 -4.004 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -14.727 3.573 -3.592 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -16.480 3.303 -5.964 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -17.159 2.526 -4.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -17.823 4.798 -4.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -16.653 4.622 -3.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -16.239 5.350 -4.773 1.00 0.00 H new ATOM 198 N GLN A 13 -11.880 7.085 -6.570 1.00 0.00 N ATOM 199 CA GLN A 13 -11.793 8.458 -7.057 1.00 0.00 C ATOM 200 C GLN A 13 -10.507 8.665 -7.852 1.00 0.00 C ATOM 201 O GLN A 13 -10.452 9.499 -8.757 1.00 0.00 O ATOM 202 CB GLN A 13 -11.833 9.434 -5.878 1.00 0.00 C ATOM 203 CG GLN A 13 -11.988 10.864 -6.400 1.00 0.00 C ATOM 204 CD GLN A 13 -10.911 11.759 -5.797 1.00 0.00 C ATOM 205 OE1 GLN A 13 -9.744 11.372 -5.736 1.00 0.00 O ATOM 206 NE2 GLN A 13 -11.234 12.940 -5.345 1.00 0.00 N ATOM 0 H GLN A 13 -11.391 6.912 -5.692 1.00 0.00 H new ATOM 0 HA GLN A 13 -12.644 8.646 -7.712 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -12.662 9.186 -5.216 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -10.919 9.348 -5.290 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -11.913 10.873 -7.487 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -12.976 11.248 -6.145 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -12.202 13.259 -5.397 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -10.519 13.544 -4.940 1.00 0.00 H new ATOM 215 N ASP A 14 -9.473 7.904 -7.506 1.00 0.00 N ATOM 216 CA ASP A 14 -8.192 8.013 -8.192 1.00 0.00 C ATOM 217 C ASP A 14 -8.089 6.978 -9.310 1.00 0.00 C ATOM 218 O ASP A 14 -8.060 5.775 -9.054 1.00 0.00 O ATOM 219 CB ASP A 14 -7.056 7.805 -7.195 1.00 0.00 C ATOM 220 CG ASP A 14 -6.796 9.095 -6.423 1.00 0.00 C ATOM 221 OD1 ASP A 14 -6.035 9.912 -6.913 1.00 0.00 O ATOM 222 OD2 ASP A 14 -7.363 9.245 -5.353 1.00 0.00 O ATOM 0 H ASP A 14 -9.497 7.210 -6.759 1.00 0.00 H new ATOM 0 HA ASP A 14 -8.117 9.008 -8.631 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.311 7.003 -6.503 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -6.152 7.497 -7.720 1.00 0.00 H new ATOM 227 N LYS A 15 -8.034 7.454 -10.550 1.00 0.00 N ATOM 228 CA LYS A 15 -7.937 6.560 -11.699 1.00 0.00 C ATOM 229 C LYS A 15 -6.617 5.792 -11.684 1.00 0.00 C ATOM 230 O LYS A 15 -6.526 4.686 -12.217 1.00 0.00 O ATOM 231 CB LYS A 15 -8.049 7.365 -12.995 1.00 0.00 C ATOM 232 CG LYS A 15 -9.176 6.792 -13.858 1.00 0.00 C ATOM 233 CD LYS A 15 -9.262 7.575 -15.170 1.00 0.00 C ATOM 234 CE LYS A 15 -10.720 7.648 -15.627 1.00 0.00 C ATOM 235 NZ LYS A 15 -11.442 8.673 -14.823 1.00 0.00 N ATOM 0 H LYS A 15 -8.055 8.447 -10.784 1.00 0.00 H new ATOM 0 HA LYS A 15 -8.755 5.842 -11.643 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -8.247 8.413 -12.769 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -7.106 7.330 -13.540 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -8.991 5.737 -14.063 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -10.124 6.852 -13.324 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -8.862 8.580 -15.033 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.654 7.092 -15.935 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -10.768 7.901 -16.686 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -11.198 6.675 -15.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -12.327 8.932 -15.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -11.660 8.286 -13.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -10.844 9.518 -14.720 1.00 0.00 H new ATOM 249 N ARG A 16 -5.599 6.384 -11.072 1.00 0.00 N ATOM 250 CA ARG A 16 -4.289 5.743 -10.995 1.00 0.00 C ATOM 251 C ARG A 16 -4.397 4.373 -10.330 1.00 0.00 C ATOM 252 O ARG A 16 -3.632 3.460 -10.643 1.00 0.00 O ATOM 253 CB ARG A 16 -3.326 6.625 -10.201 1.00 0.00 C ATOM 254 CG ARG A 16 -3.379 8.052 -10.748 1.00 0.00 C ATOM 255 CD ARG A 16 -2.383 8.931 -9.989 1.00 0.00 C ATOM 256 NE ARG A 16 -1.511 9.630 -10.926 1.00 0.00 N ATOM 257 CZ ARG A 16 -0.666 10.565 -10.509 1.00 0.00 C ATOM 258 NH1 ARG A 16 -0.599 10.862 -9.241 1.00 0.00 N ATOM 259 NH2 ARG A 16 0.089 11.193 -11.368 1.00 0.00 N ATOM 0 H ARG A 16 -5.652 7.299 -10.625 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.910 5.610 -12.008 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -3.595 6.618 -9.145 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -2.312 6.233 -10.274 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -3.143 8.053 -11.812 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -4.387 8.454 -10.645 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -2.920 9.653 -9.373 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -1.786 8.317 -9.314 1.00 0.00 H new ATOM 0 HE ARG A 16 -1.551 9.397 -11.918 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -1.195 10.376 -8.571 1.00 0.00 H new ATOM 0 HH12 ARG A 16 0.050 11.580 -8.919 1.00 0.00 H new ATOM 0 HH21 ARG A 16 0.030 10.966 -12.361 1.00 0.00 H new ATOM 0 HH22 ARG A 16 0.738 11.911 -11.047 1.00 0.00 H new ATOM 273 N PHE A 17 -5.346 4.240 -9.408 1.00 0.00 N ATOM 274 CA PHE A 17 -5.543 2.978 -8.695 1.00 0.00 C ATOM 275 C PHE A 17 -6.764 2.234 -9.215 1.00 0.00 C ATOM 276 O PHE A 17 -7.295 1.346 -8.543 1.00 0.00 O ATOM 277 CB PHE A 17 -5.699 3.248 -7.197 1.00 0.00 C ATOM 278 CG PHE A 17 -4.741 4.339 -6.764 1.00 0.00 C ATOM 279 CD1 PHE A 17 -3.439 4.397 -7.288 1.00 0.00 C ATOM 280 CD2 PHE A 17 -5.160 5.301 -5.835 1.00 0.00 C ATOM 281 CE1 PHE A 17 -2.563 5.407 -6.875 1.00 0.00 C ATOM 282 CE2 PHE A 17 -4.282 6.310 -5.424 1.00 0.00 C ATOM 283 CZ PHE A 17 -2.985 6.365 -5.946 1.00 0.00 C ATOM 0 H PHE A 17 -5.988 4.985 -9.137 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.667 2.352 -8.865 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -6.725 3.545 -6.978 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.504 2.336 -6.633 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -3.114 3.662 -8.010 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.163 5.263 -5.435 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.560 5.447 -7.274 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.606 7.047 -4.704 1.00 0.00 H new ATOM 0 HZ PHE A 17 -2.309 7.147 -5.632 1.00 0.00 H new ATOM 293 N SER A 18 -7.192 2.577 -10.420 1.00 0.00 N ATOM 294 CA SER A 18 -8.337 1.917 -11.030 1.00 0.00 C ATOM 295 C SER A 18 -8.052 0.426 -11.205 1.00 0.00 C ATOM 296 O SER A 18 -8.884 -0.437 -10.888 1.00 0.00 O ATOM 297 CB SER A 18 -8.616 2.540 -12.394 1.00 0.00 C ATOM 298 OG SER A 18 -9.599 1.768 -13.070 1.00 0.00 O ATOM 0 H SER A 18 -6.766 3.305 -10.993 1.00 0.00 H new ATOM 0 HA SER A 18 -9.205 2.042 -10.382 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.962 3.567 -12.274 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.700 2.580 -12.983 1.00 0.00 H new ATOM 0 HG SER A 18 -9.782 2.166 -13.946 1.00 0.00 H new ATOM 304 N THR A 19 -6.856 0.125 -11.703 1.00 0.00 N ATOM 305 CA THR A 19 -6.469 -1.263 -11.908 1.00 0.00 C ATOM 306 C THR A 19 -6.613 -2.032 -10.605 1.00 0.00 C ATOM 307 O THR A 19 -7.193 -3.119 -10.567 1.00 0.00 O ATOM 308 CB THR A 19 -5.025 -1.349 -12.396 1.00 0.00 C ATOM 309 OG1 THR A 19 -4.788 -0.328 -13.353 1.00 0.00 O ATOM 310 CG2 THR A 19 -4.794 -2.719 -13.032 1.00 0.00 C ATOM 0 H THR A 19 -6.150 0.812 -11.968 1.00 0.00 H new ATOM 0 HA THR A 19 -7.121 -1.699 -12.664 1.00 0.00 H new ATOM 0 HB THR A 19 -4.342 -1.217 -11.557 1.00 0.00 H new ATOM 0 HG1 THR A 19 -3.861 -0.381 -13.666 1.00 0.00 H new ATOM 0 HG21 THR A 19 -3.764 -2.788 -13.383 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.979 -3.499 -12.293 1.00 0.00 H new ATOM 0 HG23 THR A 19 -5.474 -2.849 -13.874 1.00 0.00 H new ATOM 318 N PHE A 20 -6.091 -1.446 -9.533 1.00 0.00 N ATOM 319 CA PHE A 20 -6.175 -2.069 -8.222 1.00 0.00 C ATOM 320 C PHE A 20 -7.611 -2.417 -7.902 1.00 0.00 C ATOM 321 O PHE A 20 -7.899 -3.506 -7.415 1.00 0.00 O ATOM 322 CB PHE A 20 -5.618 -1.127 -7.156 1.00 0.00 C ATOM 323 CG PHE A 20 -4.163 -1.457 -6.896 1.00 0.00 C ATOM 324 CD1 PHE A 20 -3.656 -1.404 -5.590 1.00 0.00 C ATOM 325 CD2 PHE A 20 -3.326 -1.828 -7.958 1.00 0.00 C ATOM 326 CE1 PHE A 20 -2.312 -1.710 -5.349 1.00 0.00 C ATOM 327 CE2 PHE A 20 -1.984 -2.133 -7.715 1.00 0.00 C ATOM 328 CZ PHE A 20 -1.478 -2.082 -6.413 1.00 0.00 C ATOM 0 H PHE A 20 -5.609 -0.547 -9.548 1.00 0.00 H new ATOM 0 HA PHE A 20 -5.583 -2.984 -8.231 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.713 -0.092 -7.485 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -6.193 -1.223 -6.235 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -4.302 -1.127 -4.770 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -3.718 -1.878 -8.963 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -1.918 -1.660 -4.345 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -1.337 -2.409 -8.535 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.443 -2.329 -6.226 1.00 0.00 H new ATOM 338 N LEU A 21 -8.512 -1.496 -8.180 1.00 0.00 N ATOM 339 CA LEU A 21 -9.915 -1.734 -7.909 1.00 0.00 C ATOM 340 C LEU A 21 -10.372 -3.009 -8.601 1.00 0.00 C ATOM 341 O LEU A 21 -11.164 -3.775 -8.050 1.00 0.00 O ATOM 342 CB LEU A 21 -10.754 -0.555 -8.409 1.00 0.00 C ATOM 343 CG LEU A 21 -11.811 -0.173 -7.364 1.00 0.00 C ATOM 344 CD1 LEU A 21 -12.673 0.949 -7.908 1.00 0.00 C ATOM 345 CD2 LEU A 21 -12.698 -1.381 -7.040 1.00 0.00 C ATOM 0 H LEU A 21 -8.301 -0.586 -8.589 1.00 0.00 H new ATOM 0 HA LEU A 21 -10.048 -1.841 -6.832 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -10.108 0.299 -8.612 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -11.240 -0.818 -9.349 1.00 0.00 H new ATOM 0 HG LEU A 21 -11.307 0.153 -6.454 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -13.425 1.222 -7.167 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -12.048 1.815 -8.127 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -13.167 0.618 -8.821 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -13.443 -1.096 -6.297 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -13.200 -1.718 -7.947 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -12.082 -2.189 -6.645 1.00 0.00 H new ATOM 357 N SER A 22 -9.876 -3.226 -9.816 1.00 0.00 N ATOM 358 CA SER A 22 -10.265 -4.409 -10.583 1.00 0.00 C ATOM 359 C SER A 22 -9.720 -5.701 -9.978 1.00 0.00 C ATOM 360 O SER A 22 -10.484 -6.615 -9.653 1.00 0.00 O ATOM 361 CB SER A 22 -9.780 -4.280 -12.028 1.00 0.00 C ATOM 362 OG SER A 22 -10.673 -4.972 -12.886 1.00 0.00 O ATOM 0 H SER A 22 -9.214 -2.609 -10.287 1.00 0.00 H new ATOM 0 HA SER A 22 -11.353 -4.464 -10.555 1.00 0.00 H new ATOM 0 HB2 SER A 22 -9.725 -3.229 -12.313 1.00 0.00 H new ATOM 0 HB3 SER A 22 -8.774 -4.690 -12.124 1.00 0.00 H new ATOM 0 HG SER A 22 -10.366 -4.890 -13.813 1.00 0.00 H new ATOM 368 N LEU A 23 -8.404 -5.783 -9.855 1.00 0.00 N ATOM 369 CA LEU A 23 -7.761 -6.982 -9.316 1.00 0.00 C ATOM 370 C LEU A 23 -8.096 -7.199 -7.841 1.00 0.00 C ATOM 371 O LEU A 23 -8.309 -8.337 -7.408 1.00 0.00 O ATOM 372 CB LEU A 23 -6.236 -6.883 -9.490 1.00 0.00 C ATOM 373 CG LEU A 23 -5.729 -5.554 -8.905 1.00 0.00 C ATOM 374 CD1 LEU A 23 -5.085 -5.788 -7.537 1.00 0.00 C ATOM 375 CD2 LEU A 23 -4.678 -4.931 -9.835 1.00 0.00 C ATOM 0 H LEU A 23 -7.758 -5.039 -10.119 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.145 -7.837 -9.873 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.749 -7.720 -8.990 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.977 -6.948 -10.547 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.581 -4.882 -8.804 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.731 -4.839 -7.135 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.821 -6.218 -6.857 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.244 -6.474 -7.643 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.327 -3.991 -9.409 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.837 -5.616 -9.944 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.123 -4.743 -10.812 1.00 0.00 H new ATOM 387 N LEU A 24 -8.137 -6.120 -7.067 1.00 0.00 N ATOM 388 CA LEU A 24 -8.437 -6.240 -5.648 1.00 0.00 C ATOM 389 C LEU A 24 -9.877 -6.666 -5.450 1.00 0.00 C ATOM 390 O LEU A 24 -10.195 -7.389 -4.506 1.00 0.00 O ATOM 391 CB LEU A 24 -8.131 -4.926 -4.916 1.00 0.00 C ATOM 392 CG LEU A 24 -9.337 -3.974 -4.937 1.00 0.00 C ATOM 393 CD1 LEU A 24 -10.367 -4.373 -3.876 1.00 0.00 C ATOM 394 CD2 LEU A 24 -8.855 -2.560 -4.617 1.00 0.00 C ATOM 0 H LEU A 24 -7.969 -5.168 -7.392 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.798 -7.011 -5.217 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.853 -5.140 -3.884 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.274 -4.440 -5.383 1.00 0.00 H new ATOM 0 HG LEU A 24 -9.798 -4.023 -5.924 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -11.211 -3.684 -3.911 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.717 -5.386 -4.072 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -9.907 -4.333 -2.889 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -9.703 -1.875 -4.629 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.393 -2.548 -3.630 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.125 -2.247 -5.363 1.00 0.00 H new ATOM 406 N GLU A 25 -10.744 -6.217 -6.337 1.00 0.00 N ATOM 407 CA GLU A 25 -12.146 -6.570 -6.243 1.00 0.00 C ATOM 408 C GLU A 25 -12.344 -8.060 -6.521 1.00 0.00 C ATOM 409 O GLU A 25 -13.184 -8.703 -5.900 1.00 0.00 O ATOM 410 CB GLU A 25 -12.940 -5.745 -7.255 1.00 0.00 C ATOM 411 CG GLU A 25 -14.309 -6.376 -7.465 1.00 0.00 C ATOM 412 CD GLU A 25 -15.286 -5.329 -7.990 1.00 0.00 C ATOM 413 OE1 GLU A 25 -16.160 -4.936 -7.237 1.00 0.00 O ATOM 414 OE2 GLU A 25 -15.138 -4.932 -9.134 1.00 0.00 O ATOM 0 H GLU A 25 -10.505 -5.613 -7.123 1.00 0.00 H new ATOM 0 HA GLU A 25 -12.500 -6.358 -5.234 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -13.051 -4.721 -6.898 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -12.402 -5.696 -8.202 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -14.234 -7.203 -8.171 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -14.676 -6.791 -6.526 1.00 0.00 H new ATOM 421 N ALA A 26 -11.566 -8.604 -7.453 1.00 0.00 N ATOM 422 CA ALA A 26 -11.682 -10.019 -7.784 1.00 0.00 C ATOM 423 C ALA A 26 -11.227 -10.877 -6.607 1.00 0.00 C ATOM 424 O ALA A 26 -11.790 -11.942 -6.350 1.00 0.00 O ATOM 425 CB ALA A 26 -10.837 -10.338 -9.016 1.00 0.00 C ATOM 0 H ALA A 26 -10.859 -8.095 -7.984 1.00 0.00 H new ATOM 0 HA ALA A 26 -12.727 -10.243 -7.999 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -10.929 -11.397 -9.256 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.185 -9.743 -9.860 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.793 -10.102 -8.812 1.00 0.00 H new ATOM 431 N ALA A 27 -10.208 -10.406 -5.890 1.00 0.00 N ATOM 432 CA ALA A 27 -9.694 -11.148 -4.738 1.00 0.00 C ATOM 433 C ALA A 27 -10.543 -10.870 -3.503 1.00 0.00 C ATOM 434 O ALA A 27 -10.336 -11.466 -2.446 1.00 0.00 O ATOM 435 CB ALA A 27 -8.247 -10.743 -4.456 1.00 0.00 C ATOM 0 H ALA A 27 -9.727 -9.527 -6.082 1.00 0.00 H new ATOM 0 HA ALA A 27 -9.737 -12.212 -4.969 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.874 -11.301 -3.597 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.631 -10.964 -5.328 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.203 -9.675 -4.242 1.00 0.00 H new ATOM 441 N ASP A 28 -11.502 -9.959 -3.643 1.00 0.00 N ATOM 442 CA ASP A 28 -12.382 -9.603 -2.533 1.00 0.00 C ATOM 443 C ASP A 28 -11.632 -8.756 -1.502 1.00 0.00 C ATOM 444 O ASP A 28 -11.759 -8.976 -0.297 1.00 0.00 O ATOM 445 CB ASP A 28 -12.926 -10.871 -1.860 1.00 0.00 C ATOM 446 CG ASP A 28 -13.107 -11.982 -2.892 1.00 0.00 C ATOM 447 OD1 ASP A 28 -13.809 -11.756 -3.863 1.00 0.00 O ATOM 448 OD2 ASP A 28 -12.537 -13.043 -2.695 1.00 0.00 O ATOM 0 H ASP A 28 -11.689 -9.455 -4.510 1.00 0.00 H new ATOM 0 HA ASP A 28 -13.214 -9.021 -2.930 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -12.240 -11.199 -1.079 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -13.879 -10.655 -1.377 1.00 0.00 H new ATOM 453 N LEU A 29 -10.851 -7.788 -1.982 1.00 0.00 N ATOM 454 CA LEU A 29 -10.090 -6.921 -1.088 1.00 0.00 C ATOM 455 C LEU A 29 -10.806 -5.587 -0.905 1.00 0.00 C ATOM 456 O LEU A 29 -10.202 -4.583 -0.528 1.00 0.00 O ATOM 457 CB LEU A 29 -8.684 -6.688 -1.655 1.00 0.00 C ATOM 458 CG LEU A 29 -7.645 -7.443 -0.813 1.00 0.00 C ATOM 459 CD1 LEU A 29 -7.544 -6.850 0.583 1.00 0.00 C ATOM 460 CD2 LEU A 29 -8.038 -8.922 -0.700 1.00 0.00 C ATOM 0 H LEU A 29 -10.730 -7.587 -2.975 1.00 0.00 H new ATOM 0 HA LEU A 29 -10.006 -7.408 -0.117 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.640 -7.026 -2.690 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.456 -5.622 -1.658 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.678 -7.351 -1.308 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -6.802 -7.402 1.160 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.245 -5.804 0.513 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -8.513 -6.918 1.078 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.296 -9.451 -0.101 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -9.015 -9.004 -0.223 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -8.083 -9.364 -1.696 1.00 0.00 H new ATOM 472 N LYS A 30 -12.099 -5.596 -1.192 1.00 0.00 N ATOM 473 CA LYS A 30 -12.918 -4.399 -1.083 1.00 0.00 C ATOM 474 C LYS A 30 -13.830 -4.461 0.149 1.00 0.00 C ATOM 475 O LYS A 30 -14.187 -3.429 0.727 1.00 0.00 O ATOM 476 CB LYS A 30 -13.756 -4.196 -2.364 1.00 0.00 C ATOM 477 CG LYS A 30 -14.267 -5.531 -2.953 1.00 0.00 C ATOM 478 CD LYS A 30 -15.632 -5.880 -2.349 1.00 0.00 C ATOM 479 CE LYS A 30 -15.833 -7.401 -2.348 1.00 0.00 C ATOM 480 NZ LYS A 30 -17.279 -7.707 -2.548 1.00 0.00 N ATOM 0 H LYS A 30 -12.606 -6.424 -1.504 1.00 0.00 H new ATOM 0 HA LYS A 30 -12.249 -3.546 -0.965 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -14.606 -3.552 -2.140 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -13.153 -3.680 -3.111 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -14.349 -5.452 -4.037 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -13.553 -6.328 -2.744 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -15.697 -5.496 -1.331 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -16.426 -5.401 -2.922 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -15.240 -7.858 -3.140 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -15.487 -7.825 -1.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -17.419 -8.738 -2.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -17.834 -7.282 -1.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -17.594 -7.315 -3.458 1.00 0.00 H new ATOM 494 N GLU A 31 -14.204 -5.674 0.548 1.00 0.00 N ATOM 495 CA GLU A 31 -15.081 -5.848 1.704 1.00 0.00 C ATOM 496 C GLU A 31 -14.402 -5.390 2.992 1.00 0.00 C ATOM 497 O GLU A 31 -14.837 -4.430 3.632 1.00 0.00 O ATOM 498 CB GLU A 31 -15.448 -7.326 1.828 1.00 0.00 C ATOM 499 CG GLU A 31 -16.955 -7.470 2.018 1.00 0.00 C ATOM 500 CD GLU A 31 -17.294 -8.908 2.395 1.00 0.00 C ATOM 501 OE1 GLU A 31 -17.418 -9.177 3.579 1.00 0.00 O ATOM 502 OE2 GLU A 31 -17.421 -9.721 1.495 1.00 0.00 O ATOM 0 H GLU A 31 -13.918 -6.542 0.095 1.00 0.00 H new ATOM 0 HA GLU A 31 -15.973 -5.240 1.555 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -15.132 -7.865 0.935 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -14.922 -7.771 2.672 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -17.299 -6.790 2.797 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -17.474 -7.193 1.101 1.00 0.00 H new ATOM 509 N LEU A 32 -13.332 -6.076 3.364 1.00 0.00 N ATOM 510 CA LEU A 32 -12.592 -5.731 4.571 1.00 0.00 C ATOM 511 C LEU A 32 -12.176 -4.261 4.538 1.00 0.00 C ATOM 512 O LEU A 32 -11.892 -3.649 5.567 1.00 0.00 O ATOM 513 CB LEU A 32 -11.353 -6.642 4.728 1.00 0.00 C ATOM 514 CG LEU A 32 -10.185 -6.191 3.823 1.00 0.00 C ATOM 515 CD1 LEU A 32 -8.881 -6.822 4.315 1.00 0.00 C ATOM 516 CD2 LEU A 32 -10.435 -6.635 2.378 1.00 0.00 C ATOM 0 H LEU A 32 -12.956 -6.873 2.850 1.00 0.00 H new ATOM 0 HA LEU A 32 -13.243 -5.887 5.431 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.028 -6.637 5.769 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.625 -7.669 4.484 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.112 -5.104 3.862 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.058 -6.503 3.675 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.688 -6.505 5.340 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.967 -7.908 4.281 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.605 -6.312 1.749 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.517 -7.721 2.340 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -11.361 -6.188 2.015 1.00 0.00 H new ATOM 528 N LEU A 33 -12.097 -3.717 3.331 1.00 0.00 N ATOM 529 CA LEU A 33 -11.681 -2.332 3.148 1.00 0.00 C ATOM 530 C LEU A 33 -12.746 -1.367 3.644 1.00 0.00 C ATOM 531 O LEU A 33 -12.434 -0.361 4.279 1.00 0.00 O ATOM 532 CB LEU A 33 -11.428 -2.068 1.665 1.00 0.00 C ATOM 533 CG LEU A 33 -9.953 -1.728 1.415 1.00 0.00 C ATOM 534 CD1 LEU A 33 -9.565 -0.467 2.187 1.00 0.00 C ATOM 535 CD2 LEU A 33 -9.080 -2.893 1.870 1.00 0.00 C ATOM 0 H LEU A 33 -12.315 -4.212 2.466 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.770 -2.174 3.725 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -11.707 -2.946 1.082 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -12.058 -1.246 1.325 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.804 -1.551 0.350 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.516 -0.235 2.002 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.184 0.367 1.857 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.717 -0.632 3.254 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.032 -2.653 1.693 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.237 -3.071 2.934 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.347 -3.789 1.309 1.00 0.00 H new ATOM 547 N THR A 34 -14.002 -1.672 3.345 1.00 0.00 N ATOM 548 CA THR A 34 -15.091 -0.806 3.768 1.00 0.00 C ATOM 549 C THR A 34 -15.437 -1.076 5.224 1.00 0.00 C ATOM 550 O THR A 34 -16.153 -0.303 5.860 1.00 0.00 O ATOM 551 CB THR A 34 -16.321 -1.024 2.884 1.00 0.00 C ATOM 552 OG1 THR A 34 -17.414 -0.286 3.409 1.00 0.00 O ATOM 553 CG2 THR A 34 -16.683 -2.503 2.847 1.00 0.00 C ATOM 0 H THR A 34 -14.288 -2.499 2.820 1.00 0.00 H new ATOM 0 HA THR A 34 -14.771 0.231 3.667 1.00 0.00 H new ATOM 0 HB THR A 34 -16.098 -0.686 1.872 1.00 0.00 H new ATOM 0 HG1 THR A 34 -17.255 -0.096 4.357 1.00 0.00 H new ATOM 0 HG21 THR A 34 -17.560 -2.647 2.215 1.00 0.00 H new ATOM 0 HG22 THR A 34 -15.846 -3.072 2.442 1.00 0.00 H new ATOM 0 HG23 THR A 34 -16.903 -2.849 3.857 1.00 0.00 H new ATOM 561 N GLN A 35 -14.925 -2.187 5.741 1.00 0.00 N ATOM 562 CA GLN A 35 -15.191 -2.564 7.127 1.00 0.00 C ATOM 563 C GLN A 35 -14.653 -1.512 8.099 1.00 0.00 C ATOM 564 O GLN A 35 -13.801 -0.704 7.732 1.00 0.00 O ATOM 565 CB GLN A 35 -14.527 -3.906 7.432 1.00 0.00 C ATOM 566 CG GLN A 35 -15.563 -5.026 7.380 1.00 0.00 C ATOM 567 CD GLN A 35 -16.171 -5.126 5.987 1.00 0.00 C ATOM 568 OE1 GLN A 35 -15.743 -5.951 5.180 1.00 0.00 O ATOM 569 NE2 GLN A 35 -17.155 -4.337 5.659 1.00 0.00 N ATOM 0 H GLN A 35 -14.329 -2.838 5.229 1.00 0.00 H new ATOM 0 HA GLN A 35 -16.271 -2.639 7.254 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -13.733 -4.100 6.711 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -14.062 -3.875 8.417 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -15.096 -5.974 7.648 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -16.348 -4.838 8.113 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -17.507 -3.655 6.330 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -17.573 -4.402 4.731 1.00 0.00 H new ATOM 578 N PRO A 36 -15.118 -1.515 9.330 1.00 0.00 N ATOM 579 CA PRO A 36 -14.649 -0.549 10.364 1.00 0.00 C ATOM 580 C PRO A 36 -13.357 -1.014 11.030 1.00 0.00 C ATOM 581 O PRO A 36 -13.326 -2.052 11.689 1.00 0.00 O ATOM 582 CB PRO A 36 -15.794 -0.528 11.365 1.00 0.00 C ATOM 583 CG PRO A 36 -16.388 -1.899 11.302 1.00 0.00 C ATOM 584 CD PRO A 36 -16.148 -2.425 9.882 1.00 0.00 C ATOM 0 HA PRO A 36 -14.419 0.431 9.946 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -15.437 -0.298 12.369 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -16.530 0.233 11.107 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -15.925 -2.554 12.040 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -17.454 -1.868 11.527 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -15.802 -3.459 9.893 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -17.062 -2.400 9.288 1.00 0.00 H new ATOM 592 N GLY A 37 -12.289 -0.239 10.857 1.00 0.00 N ATOM 593 CA GLY A 37 -11.004 -0.589 11.450 1.00 0.00 C ATOM 594 C GLY A 37 -9.881 0.247 10.851 1.00 0.00 C ATOM 595 O GLY A 37 -9.944 0.647 9.690 1.00 0.00 O ATOM 0 H GLY A 37 -12.288 0.626 10.317 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -11.043 -0.434 12.528 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -10.801 -1.647 11.288 1.00 0.00 H new ATOM 599 N ASP A 38 -8.857 0.507 11.653 1.00 0.00 N ATOM 600 CA ASP A 38 -7.720 1.301 11.197 1.00 0.00 C ATOM 601 C ASP A 38 -6.558 0.404 10.779 1.00 0.00 C ATOM 602 O ASP A 38 -6.071 -0.405 11.568 1.00 0.00 O ATOM 603 CB ASP A 38 -7.262 2.242 12.312 1.00 0.00 C ATOM 604 CG ASP A 38 -7.858 1.801 13.644 1.00 0.00 C ATOM 605 OD1 ASP A 38 -7.099 1.368 14.494 1.00 0.00 O ATOM 606 OD2 ASP A 38 -9.064 1.902 13.793 1.00 0.00 O ATOM 0 H ASP A 38 -8.789 0.183 12.618 1.00 0.00 H new ATOM 0 HA ASP A 38 -8.038 1.883 10.332 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.174 2.243 12.374 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -7.570 3.263 12.087 1.00 0.00 H new ATOM 611 N TRP A 39 -6.118 0.564 9.535 1.00 0.00 N ATOM 612 CA TRP A 39 -5.007 -0.230 9.016 1.00 0.00 C ATOM 613 C TRP A 39 -4.152 0.605 8.066 1.00 0.00 C ATOM 614 O TRP A 39 -4.546 1.701 7.665 1.00 0.00 O ATOM 615 CB TRP A 39 -5.538 -1.456 8.271 1.00 0.00 C ATOM 616 CG TRP A 39 -6.944 -1.737 8.695 1.00 0.00 C ATOM 617 CD1 TRP A 39 -7.310 -2.243 9.895 1.00 0.00 C ATOM 618 CD2 TRP A 39 -8.172 -1.536 7.942 1.00 0.00 C ATOM 619 NE1 TRP A 39 -8.689 -2.365 9.925 1.00 0.00 N ATOM 620 CE2 TRP A 39 -9.265 -1.945 8.743 1.00 0.00 C ATOM 621 CE3 TRP A 39 -8.441 -1.049 6.652 1.00 0.00 C ATOM 622 CZ2 TRP A 39 -10.578 -1.865 8.281 1.00 0.00 C ATOM 623 CZ3 TRP A 39 -9.760 -0.968 6.184 1.00 0.00 C ATOM 624 CH2 TRP A 39 -10.826 -1.378 6.995 1.00 0.00 C ATOM 0 H TRP A 39 -6.510 1.231 8.870 1.00 0.00 H new ATOM 0 HA TRP A 39 -4.395 -0.553 9.858 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -5.500 -1.284 7.195 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -4.907 -2.320 8.478 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -6.637 -2.508 10.697 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -9.215 -2.722 10.723 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -7.626 -0.735 6.017 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -11.397 -2.177 8.912 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -9.955 -0.587 5.192 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -11.839 -1.318 6.626 1.00 0.00 H new ATOM 635 N THR A 40 -2.983 0.074 7.708 1.00 0.00 N ATOM 636 CA THR A 40 -2.074 0.771 6.800 1.00 0.00 C ATOM 637 C THR A 40 -1.830 -0.065 5.548 1.00 0.00 C ATOM 638 O THR A 40 -1.601 -1.272 5.630 1.00 0.00 O ATOM 639 CB THR A 40 -0.740 1.042 7.501 1.00 0.00 C ATOM 640 OG1 THR A 40 -0.978 1.303 8.876 1.00 0.00 O ATOM 641 CG2 THR A 40 -0.047 2.251 6.864 1.00 0.00 C ATOM 0 H THR A 40 -2.645 -0.832 8.031 1.00 0.00 H new ATOM 0 HA THR A 40 -2.531 1.718 6.512 1.00 0.00 H new ATOM 0 HB THR A 40 -0.096 0.169 7.397 1.00 0.00 H new ATOM 0 HG1 THR A 40 -0.206 1.010 9.403 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.901 2.435 7.370 1.00 0.00 H new ATOM 0 HG22 THR A 40 0.138 2.050 5.809 1.00 0.00 H new ATOM 0 HG23 THR A 40 -0.686 3.129 6.960 1.00 0.00 H new ATOM 649 N LEU A 41 -1.884 0.584 4.390 1.00 0.00 N ATOM 650 CA LEU A 41 -1.673 -0.107 3.123 1.00 0.00 C ATOM 651 C LEU A 41 -0.744 0.705 2.227 1.00 0.00 C ATOM 652 O LEU A 41 -0.777 1.942 2.240 1.00 0.00 O ATOM 653 CB LEU A 41 -3.022 -0.328 2.430 1.00 0.00 C ATOM 654 CG LEU A 41 -3.418 0.923 1.626 1.00 0.00 C ATOM 655 CD1 LEU A 41 -2.806 0.890 0.218 1.00 0.00 C ATOM 656 CD2 LEU A 41 -4.935 0.981 1.496 1.00 0.00 C ATOM 0 H LEU A 41 -2.071 1.583 4.302 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.207 -1.074 3.315 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.961 -1.191 1.767 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.789 -0.550 3.173 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.044 1.800 2.154 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.102 1.786 -0.328 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.719 0.854 0.294 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.162 0.007 -0.313 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.218 1.866 0.927 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.290 0.089 0.980 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.384 1.029 2.488 1.00 0.00 H new ATOM 668 N PHE A 42 0.090 0.011 1.455 1.00 0.00 N ATOM 669 CA PHE A 42 1.024 0.688 0.559 1.00 0.00 C ATOM 670 C PHE A 42 0.581 0.510 -0.890 1.00 0.00 C ATOM 671 O PHE A 42 0.767 -0.555 -1.480 1.00 0.00 O ATOM 672 CB PHE A 42 2.436 0.127 0.753 1.00 0.00 C ATOM 673 CG PHE A 42 3.217 1.026 1.688 1.00 0.00 C ATOM 674 CD1 PHE A 42 2.612 1.546 2.843 1.00 0.00 C ATOM 675 CD2 PHE A 42 4.545 1.352 1.393 1.00 0.00 C ATOM 676 CE1 PHE A 42 3.336 2.384 3.698 1.00 0.00 C ATOM 677 CE2 PHE A 42 5.265 2.189 2.252 1.00 0.00 C ATOM 678 CZ PHE A 42 4.660 2.706 3.400 1.00 0.00 C ATOM 0 H PHE A 42 0.138 -1.008 1.431 1.00 0.00 H new ATOM 0 HA PHE A 42 1.033 1.752 0.795 1.00 0.00 H new ATOM 0 HB2 PHE A 42 2.384 -0.882 1.162 1.00 0.00 H new ATOM 0 HB3 PHE A 42 2.945 0.056 -0.208 1.00 0.00 H new ATOM 0 HD1 PHE A 42 1.586 1.299 3.072 1.00 0.00 H new ATOM 0 HD2 PHE A 42 5.014 0.958 0.503 1.00 0.00 H new ATOM 0 HE1 PHE A 42 2.870 2.781 4.588 1.00 0.00 H new ATOM 0 HE2 PHE A 42 6.292 2.436 2.027 1.00 0.00 H new ATOM 0 HZ PHE A 42 5.218 3.356 4.058 1.00 0.00 H new ATOM 688 N VAL A 43 -0.019 1.556 -1.455 1.00 0.00 N ATOM 689 CA VAL A 43 -0.496 1.495 -2.830 1.00 0.00 C ATOM 690 C VAL A 43 0.496 2.163 -3.793 1.00 0.00 C ATOM 691 O VAL A 43 0.689 3.377 -3.724 1.00 0.00 O ATOM 692 CB VAL A 43 -1.867 2.174 -2.951 1.00 0.00 C ATOM 693 CG1 VAL A 43 -1.867 3.558 -2.302 1.00 0.00 C ATOM 694 CG2 VAL A 43 -2.218 2.323 -4.429 1.00 0.00 C ATOM 0 H VAL A 43 -0.184 2.446 -0.985 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.588 0.444 -3.102 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.601 1.554 -2.437 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.854 4.009 -2.407 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.622 3.464 -1.244 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.126 4.189 -2.792 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.191 2.805 -4.525 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.461 2.932 -4.923 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.253 1.339 -4.896 1.00 0.00 H new ATOM 704 N PRO A 44 1.118 1.419 -4.693 1.00 0.00 N ATOM 705 CA PRO A 44 2.074 2.003 -5.671 1.00 0.00 C ATOM 706 C PRO A 44 1.363 2.620 -6.873 1.00 0.00 C ATOM 707 O PRO A 44 0.246 2.231 -7.212 1.00 0.00 O ATOM 708 CB PRO A 44 2.914 0.807 -6.098 1.00 0.00 C ATOM 709 CG PRO A 44 2.011 -0.373 -5.978 1.00 0.00 C ATOM 710 CD PRO A 44 0.998 -0.045 -4.880 1.00 0.00 C ATOM 0 HA PRO A 44 2.659 2.816 -5.240 1.00 0.00 H new ATOM 0 HB2 PRO A 44 3.274 0.924 -7.120 1.00 0.00 H new ATOM 0 HB3 PRO A 44 3.792 0.696 -5.462 1.00 0.00 H new ATOM 0 HG2 PRO A 44 1.506 -0.571 -6.923 1.00 0.00 H new ATOM 0 HG3 PRO A 44 2.578 -1.269 -5.726 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -0.013 -0.326 -5.175 1.00 0.00 H new ATOM 0 HD3 PRO A 44 1.222 -0.583 -3.959 1.00 0.00 H new ATOM 718 N THR A 45 2.020 3.581 -7.516 1.00 0.00 N ATOM 719 CA THR A 45 1.437 4.238 -8.684 1.00 0.00 C ATOM 720 C THR A 45 1.836 3.511 -9.964 1.00 0.00 C ATOM 721 O THR A 45 2.568 2.524 -9.926 1.00 0.00 O ATOM 722 CB THR A 45 1.902 5.691 -8.757 1.00 0.00 C ATOM 723 OG1 THR A 45 3.267 5.774 -8.368 1.00 0.00 O ATOM 724 CG2 THR A 45 1.047 6.541 -7.822 1.00 0.00 C ATOM 0 H THR A 45 2.945 3.920 -7.253 1.00 0.00 H new ATOM 0 HA THR A 45 0.352 4.210 -8.585 1.00 0.00 H new ATOM 0 HB THR A 45 1.798 6.058 -9.778 1.00 0.00 H new ATOM 0 HG1 THR A 45 3.565 6.706 -8.417 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.376 7.579 -7.871 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.002 6.477 -8.125 1.00 0.00 H new ATOM 0 HG23 THR A 45 1.151 6.175 -6.800 1.00 0.00 H new ATOM 732 N ASN A 46 1.346 4.005 -11.098 1.00 0.00 N ATOM 733 CA ASN A 46 1.658 3.391 -12.382 1.00 0.00 C ATOM 734 C ASN A 46 3.158 3.451 -12.655 1.00 0.00 C ATOM 735 O ASN A 46 3.687 2.664 -13.439 1.00 0.00 O ATOM 736 CB ASN A 46 0.906 4.110 -13.505 1.00 0.00 C ATOM 737 CG ASN A 46 1.205 5.603 -13.459 1.00 0.00 C ATOM 738 OD1 ASN A 46 0.833 6.302 -12.422 1.00 0.00 O flip ATOM 739 ND2 ASN A 46 1.791 6.150 -14.395 1.00 0.00 N flip ATOM 0 H ASN A 46 0.737 4.821 -11.153 1.00 0.00 H new ATOM 0 HA ASN A 46 1.346 2.347 -12.347 1.00 0.00 H new ATOM 0 HB2 ASN A 46 1.201 3.701 -14.471 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -0.166 3.942 -13.402 1.00 0.00 H new ATOM 0 HD21 ASN A 46 2.081 5.602 -15.205 1.00 0.00 H new ATOM 0 HD22 ASN A 46 1.986 7.151 -14.360 1.00 0.00 H new ATOM 746 N ASP A 47 3.841 4.385 -12.004 1.00 0.00 N ATOM 747 CA ASP A 47 5.281 4.529 -12.189 1.00 0.00 C ATOM 748 C ASP A 47 6.015 3.315 -11.633 1.00 0.00 C ATOM 749 O ASP A 47 7.144 3.024 -12.022 1.00 0.00 O ATOM 750 CB ASP A 47 5.773 5.796 -11.485 1.00 0.00 C ATOM 751 CG ASP A 47 5.038 7.013 -12.034 1.00 0.00 C ATOM 752 OD1 ASP A 47 5.706 7.957 -12.424 1.00 0.00 O ATOM 753 OD2 ASP A 47 3.819 6.982 -12.058 1.00 0.00 O ATOM 0 H ASP A 47 3.427 5.048 -11.349 1.00 0.00 H new ATOM 0 HA ASP A 47 5.487 4.605 -13.257 1.00 0.00 H new ATOM 0 HB2 ASP A 47 5.607 5.714 -10.411 1.00 0.00 H new ATOM 0 HB3 ASP A 47 6.847 5.911 -11.633 1.00 0.00 H new ATOM 758 N ALA A 48 5.363 2.606 -10.723 1.00 0.00 N ATOM 759 CA ALA A 48 5.960 1.422 -10.119 1.00 0.00 C ATOM 760 C ALA A 48 5.985 0.267 -11.110 1.00 0.00 C ATOM 761 O ALA A 48 6.734 -0.695 -10.936 1.00 0.00 O ATOM 762 CB ALA A 48 5.155 1.016 -8.891 1.00 0.00 C ATOM 0 H ALA A 48 4.426 2.828 -10.388 1.00 0.00 H new ATOM 0 HA ALA A 48 6.984 1.658 -9.831 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.602 0.130 -8.440 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.157 1.832 -8.168 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.129 0.795 -9.185 1.00 0.00 H new ATOM 768 N PHE A 49 5.160 0.363 -12.146 1.00 0.00 N ATOM 769 CA PHE A 49 5.102 -0.689 -13.148 1.00 0.00 C ATOM 770 C PHE A 49 6.258 -0.551 -14.132 1.00 0.00 C ATOM 771 O PHE A 49 6.506 -1.441 -14.943 1.00 0.00 O ATOM 772 CB PHE A 49 3.774 -0.629 -13.904 1.00 0.00 C ATOM 773 CG PHE A 49 2.754 -1.497 -13.206 1.00 0.00 C ATOM 774 CD1 PHE A 49 2.571 -1.388 -11.822 1.00 0.00 C ATOM 775 CD2 PHE A 49 1.986 -2.407 -13.945 1.00 0.00 C ATOM 776 CE1 PHE A 49 1.623 -2.191 -11.176 1.00 0.00 C ATOM 777 CE2 PHE A 49 1.039 -3.210 -13.298 1.00 0.00 C ATOM 778 CZ PHE A 49 0.856 -3.101 -11.914 1.00 0.00 C ATOM 0 H PHE A 49 4.531 1.148 -12.312 1.00 0.00 H new ATOM 0 HA PHE A 49 5.181 -1.650 -12.640 1.00 0.00 H new ATOM 0 HB2 PHE A 49 3.418 0.400 -13.953 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.913 -0.968 -14.931 1.00 0.00 H new ATOM 0 HD1 PHE A 49 3.161 -0.685 -11.253 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.125 -2.489 -15.013 1.00 0.00 H new ATOM 0 HE1 PHE A 49 1.483 -2.108 -10.108 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.449 -3.914 -13.867 1.00 0.00 H new ATOM 0 HZ PHE A 49 0.123 -3.719 -11.416 1.00 0.00 H new ATOM 788 N LYS A 50 6.966 0.570 -14.055 1.00 0.00 N ATOM 789 CA LYS A 50 8.096 0.803 -14.943 1.00 0.00 C ATOM 790 C LYS A 50 9.155 -0.276 -14.744 1.00 0.00 C ATOM 791 O LYS A 50 9.817 -0.324 -13.707 1.00 0.00 O ATOM 792 CB LYS A 50 8.704 2.179 -14.665 1.00 0.00 C ATOM 793 CG LYS A 50 7.647 3.256 -14.908 1.00 0.00 C ATOM 794 CD LYS A 50 8.152 4.600 -14.375 1.00 0.00 C ATOM 795 CE LYS A 50 9.389 5.044 -15.161 1.00 0.00 C ATOM 796 NZ LYS A 50 9.387 6.529 -15.288 1.00 0.00 N ATOM 0 H LYS A 50 6.780 1.324 -13.394 1.00 0.00 H new ATOM 0 HA LYS A 50 7.743 0.767 -15.974 1.00 0.00 H new ATOM 0 HB2 LYS A 50 9.062 2.230 -13.637 1.00 0.00 H new ATOM 0 HB3 LYS A 50 9.566 2.346 -15.311 1.00 0.00 H new ATOM 0 HG2 LYS A 50 7.431 3.334 -15.973 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.715 2.984 -14.413 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.368 5.352 -14.460 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.396 4.512 -13.316 1.00 0.00 H new ATOM 0 HE2 LYS A 50 10.295 4.712 -14.653 1.00 0.00 H new ATOM 0 HE3 LYS A 50 9.391 4.583 -16.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 10.226 6.833 -15.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.529 6.833 -15.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 9.405 6.958 -14.341 1.00 0.00 H new ATOM 810 N GLY A 51 9.304 -1.140 -15.743 1.00 0.00 N ATOM 811 CA GLY A 51 10.284 -2.221 -15.672 1.00 0.00 C ATOM 812 C GLY A 51 9.593 -3.580 -15.617 1.00 0.00 C ATOM 813 O GLY A 51 10.122 -4.575 -16.113 1.00 0.00 O ATOM 0 H GLY A 51 8.763 -1.114 -16.607 1.00 0.00 H new ATOM 0 HA2 GLY A 51 10.942 -2.178 -16.540 1.00 0.00 H new ATOM 0 HA3 GLY A 51 10.911 -2.091 -14.790 1.00 0.00 H new ATOM 817 N MET A 52 8.408 -3.617 -15.012 1.00 0.00 N ATOM 818 CA MET A 52 7.657 -4.856 -14.902 1.00 0.00 C ATOM 819 C MET A 52 7.421 -5.458 -16.279 1.00 0.00 C ATOM 820 O MET A 52 6.732 -4.872 -17.115 1.00 0.00 O ATOM 821 CB MET A 52 6.312 -4.581 -14.225 1.00 0.00 C ATOM 822 CG MET A 52 6.178 -5.439 -12.968 1.00 0.00 C ATOM 823 SD MET A 52 7.355 -4.872 -11.714 1.00 0.00 S ATOM 824 CE MET A 52 6.156 -4.096 -10.598 1.00 0.00 C ATOM 0 H MET A 52 7.953 -2.806 -14.594 1.00 0.00 H new ATOM 0 HA MET A 52 8.231 -5.563 -14.304 1.00 0.00 H new ATOM 0 HB2 MET A 52 6.235 -3.525 -13.965 1.00 0.00 H new ATOM 0 HB3 MET A 52 5.496 -4.800 -14.914 1.00 0.00 H new ATOM 0 HG2 MET A 52 5.161 -5.377 -12.581 1.00 0.00 H new ATOM 0 HG3 MET A 52 6.364 -6.486 -13.209 1.00 0.00 H new ATOM 0 HE1 MET A 52 6.674 -3.705 -9.722 1.00 0.00 H new ATOM 0 HE2 MET A 52 5.652 -3.280 -11.116 1.00 0.00 H new ATOM 0 HE3 MET A 52 5.420 -4.836 -10.284 1.00 0.00 H new ATOM 834 N THR A 53 7.996 -6.631 -16.510 1.00 0.00 N ATOM 835 CA THR A 53 7.842 -7.303 -17.792 1.00 0.00 C ATOM 836 C THR A 53 6.535 -8.080 -17.830 1.00 0.00 C ATOM 837 O THR A 53 5.973 -8.419 -16.788 1.00 0.00 O ATOM 838 CB THR A 53 9.015 -8.255 -18.025 1.00 0.00 C ATOM 839 OG1 THR A 53 9.060 -9.212 -16.975 1.00 0.00 O ATOM 840 CG2 THR A 53 10.321 -7.460 -18.048 1.00 0.00 C ATOM 0 H THR A 53 8.569 -7.133 -15.832 1.00 0.00 H new ATOM 0 HA THR A 53 7.826 -6.550 -18.580 1.00 0.00 H new ATOM 0 HB THR A 53 8.886 -8.766 -18.979 1.00 0.00 H new ATOM 0 HG1 THR A 53 9.810 -9.825 -17.123 1.00 0.00 H new ATOM 0 HG21 THR A 53 11.157 -8.139 -18.214 1.00 0.00 H new ATOM 0 HG22 THR A 53 10.285 -6.725 -18.852 1.00 0.00 H new ATOM 0 HG23 THR A 53 10.453 -6.949 -17.094 1.00 0.00 H new ATOM 848 N SER A 54 6.055 -8.354 -19.037 1.00 0.00 N ATOM 849 CA SER A 54 4.808 -9.090 -19.206 1.00 0.00 C ATOM 850 C SER A 54 4.863 -10.420 -18.464 1.00 0.00 C ATOM 851 O SER A 54 3.854 -10.892 -17.945 1.00 0.00 O ATOM 852 CB SER A 54 4.551 -9.345 -20.692 1.00 0.00 C ATOM 853 OG SER A 54 3.243 -8.902 -21.026 1.00 0.00 O ATOM 0 H SER A 54 6.507 -8.079 -19.909 1.00 0.00 H new ATOM 0 HA SER A 54 3.997 -8.491 -18.793 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.291 -8.819 -21.296 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.655 -10.407 -20.914 1.00 0.00 H new ATOM 0 HG SER A 54 3.076 -9.063 -21.978 1.00 0.00 H new ATOM 859 N GLU A 55 6.047 -11.018 -18.419 1.00 0.00 N ATOM 860 CA GLU A 55 6.222 -12.296 -17.741 1.00 0.00 C ATOM 861 C GLU A 55 6.127 -12.118 -16.231 1.00 0.00 C ATOM 862 O GLU A 55 5.570 -12.958 -15.530 1.00 0.00 O ATOM 863 CB GLU A 55 7.581 -12.897 -18.105 1.00 0.00 C ATOM 864 CG GLU A 55 7.689 -14.314 -17.536 1.00 0.00 C ATOM 865 CD GLU A 55 7.935 -15.311 -18.664 1.00 0.00 C ATOM 866 OE1 GLU A 55 7.029 -15.515 -19.455 1.00 0.00 O ATOM 867 OE2 GLU A 55 9.026 -15.856 -18.720 1.00 0.00 O ATOM 0 H GLU A 55 6.896 -10.641 -18.841 1.00 0.00 H new ATOM 0 HA GLU A 55 5.429 -12.971 -18.064 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.701 -12.920 -19.188 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.383 -12.274 -17.709 1.00 0.00 H new ATOM 0 HG2 GLU A 55 8.502 -14.363 -16.812 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.773 -14.572 -17.004 1.00 0.00 H new ATOM 874 N GLU A 56 6.671 -11.014 -15.738 1.00 0.00 N ATOM 875 CA GLU A 56 6.640 -10.736 -14.308 1.00 0.00 C ATOM 876 C GLU A 56 5.203 -10.737 -13.791 1.00 0.00 C ATOM 877 O GLU A 56 4.854 -11.494 -12.881 1.00 0.00 O ATOM 878 CB GLU A 56 7.282 -9.374 -14.030 1.00 0.00 C ATOM 879 CG GLU A 56 8.563 -9.560 -13.213 1.00 0.00 C ATOM 880 CD GLU A 56 8.220 -10.038 -11.806 1.00 0.00 C ATOM 881 OE1 GLU A 56 7.936 -9.197 -10.969 1.00 0.00 O ATOM 882 OE2 GLU A 56 8.248 -11.237 -11.586 1.00 0.00 O ATOM 0 H GLU A 56 7.135 -10.301 -16.301 1.00 0.00 H new ATOM 0 HA GLU A 56 7.199 -11.516 -13.792 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.509 -8.871 -14.970 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.584 -8.737 -13.488 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.215 -10.284 -13.703 1.00 0.00 H new ATOM 0 HG3 GLU A 56 9.112 -8.620 -13.163 1.00 0.00 H new ATOM 889 N LYS A 57 4.367 -9.885 -14.376 1.00 0.00 N ATOM 890 CA LYS A 57 2.973 -9.802 -13.958 1.00 0.00 C ATOM 891 C LYS A 57 2.277 -11.141 -14.165 1.00 0.00 C ATOM 892 O LYS A 57 1.415 -11.542 -13.377 1.00 0.00 O ATOM 893 CB LYS A 57 2.258 -8.712 -14.757 1.00 0.00 C ATOM 894 CG LYS A 57 2.397 -9.002 -16.251 1.00 0.00 C ATOM 895 CD LYS A 57 1.772 -7.859 -17.054 1.00 0.00 C ATOM 896 CE LYS A 57 1.192 -8.404 -18.360 1.00 0.00 C ATOM 897 NZ LYS A 57 -0.214 -8.843 -18.131 1.00 0.00 N ATOM 0 H LYS A 57 4.626 -9.250 -15.131 1.00 0.00 H new ATOM 0 HA LYS A 57 2.937 -9.552 -12.898 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.205 -8.674 -14.479 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.684 -7.736 -14.524 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.449 -9.113 -16.514 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.906 -9.944 -16.497 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.988 -7.377 -16.470 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.523 -7.099 -17.268 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.224 -7.637 -19.133 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.793 -9.241 -18.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.611 -9.214 -19.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.231 -9.588 -17.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.782 -8.034 -17.810 1.00 0.00 H new ATOM 911 N GLU A 58 2.657 -11.834 -15.231 1.00 0.00 N ATOM 912 CA GLU A 58 2.066 -13.122 -15.530 1.00 0.00 C ATOM 913 C GLU A 58 2.443 -14.140 -14.458 1.00 0.00 C ATOM 914 O GLU A 58 1.615 -14.933 -14.016 1.00 0.00 O ATOM 915 CB GLU A 58 2.545 -13.608 -16.894 1.00 0.00 C ATOM 916 CG GLU A 58 1.624 -14.719 -17.379 1.00 0.00 C ATOM 917 CD GLU A 58 2.399 -15.699 -18.253 1.00 0.00 C ATOM 918 OE1 GLU A 58 3.381 -16.241 -17.774 1.00 0.00 O ATOM 919 OE2 GLU A 58 1.999 -15.892 -19.391 1.00 0.00 O ATOM 0 H GLU A 58 3.367 -11.525 -15.895 1.00 0.00 H new ATOM 0 HA GLU A 58 0.981 -13.014 -15.547 1.00 0.00 H new ATOM 0 HB2 GLU A 58 2.548 -12.784 -17.607 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.570 -13.973 -16.825 1.00 0.00 H new ATOM 0 HG2 GLU A 58 1.193 -15.243 -16.526 1.00 0.00 H new ATOM 0 HG3 GLU A 58 0.795 -14.294 -17.944 1.00 0.00 H new ATOM 926 N ILE A 59 3.699 -14.106 -14.035 1.00 0.00 N ATOM 927 CA ILE A 59 4.165 -15.023 -13.003 1.00 0.00 C ATOM 928 C ILE A 59 3.333 -14.840 -11.739 1.00 0.00 C ATOM 929 O ILE A 59 3.070 -15.800 -11.015 1.00 0.00 O ATOM 930 CB ILE A 59 5.636 -14.767 -12.703 1.00 0.00 C ATOM 931 CG1 ILE A 59 6.485 -15.338 -13.839 1.00 0.00 C ATOM 932 CG2 ILE A 59 6.014 -15.461 -11.398 1.00 0.00 C ATOM 933 CD1 ILE A 59 7.863 -14.677 -13.829 1.00 0.00 C ATOM 0 H ILE A 59 4.407 -13.461 -14.386 1.00 0.00 H new ATOM 0 HA ILE A 59 4.053 -16.047 -13.358 1.00 0.00 H new ATOM 0 HB ILE A 59 5.811 -13.695 -12.612 1.00 0.00 H new ATOM 0 HG12 ILE A 59 6.587 -16.417 -13.724 1.00 0.00 H new ATOM 0 HG13 ILE A 59 5.994 -15.165 -14.797 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.067 -15.279 -11.181 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.403 -15.067 -10.586 1.00 0.00 H new ATOM 0 HG23 ILE A 59 5.843 -16.533 -11.493 1.00 0.00 H new ATOM 0 HD11 ILE A 59 8.468 -15.084 -14.639 1.00 0.00 H new ATOM 0 HD12 ILE A 59 7.752 -13.601 -13.965 1.00 0.00 H new ATOM 0 HD13 ILE A 59 8.354 -14.873 -12.876 1.00 0.00 H new ATOM 945 N LEU A 60 2.923 -13.604 -11.480 1.00 0.00 N ATOM 946 CA LEU A 60 2.117 -13.316 -10.297 1.00 0.00 C ATOM 947 C LEU A 60 0.779 -14.051 -10.361 1.00 0.00 C ATOM 948 O LEU A 60 0.416 -14.777 -9.435 1.00 0.00 O ATOM 949 CB LEU A 60 1.857 -11.813 -10.188 1.00 0.00 C ATOM 950 CG LEU A 60 2.794 -11.205 -9.147 1.00 0.00 C ATOM 951 CD1 LEU A 60 4.245 -11.486 -9.544 1.00 0.00 C ATOM 952 CD2 LEU A 60 2.566 -9.692 -9.072 1.00 0.00 C ATOM 0 H LEU A 60 3.131 -12.794 -12.064 1.00 0.00 H new ATOM 0 HA LEU A 60 2.670 -13.657 -9.422 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.013 -11.336 -11.155 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.819 -11.633 -9.907 1.00 0.00 H new ATOM 0 HG LEU A 60 2.591 -11.648 -8.172 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.916 -11.053 -8.802 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.406 -12.563 -9.594 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.448 -11.043 -10.519 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.236 -9.260 -8.328 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.768 -9.245 -10.045 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.532 -9.493 -8.789 1.00 0.00 H new ATOM 964 N ILE A 61 0.045 -13.855 -11.459 1.00 0.00 N ATOM 965 CA ILE A 61 -1.256 -14.503 -11.619 1.00 0.00 C ATOM 966 C ILE A 61 -1.106 -16.018 -11.643 1.00 0.00 C ATOM 967 O ILE A 61 -2.035 -16.753 -11.309 1.00 0.00 O ATOM 968 CB ILE A 61 -1.940 -14.007 -12.911 1.00 0.00 C ATOM 969 CG1 ILE A 61 -1.410 -14.723 -14.170 1.00 0.00 C ATOM 970 CG2 ILE A 61 -1.643 -12.521 -13.079 1.00 0.00 C ATOM 971 CD1 ILE A 61 -2.459 -14.672 -15.280 1.00 0.00 C ATOM 0 H ILE A 61 0.325 -13.261 -12.240 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.881 -14.239 -10.766 1.00 0.00 H new ATOM 0 HB ILE A 61 -3.006 -14.212 -12.814 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.488 -14.249 -14.507 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.168 -15.759 -13.934 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.120 -12.155 -13.988 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.031 -11.973 -12.220 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.566 -12.371 -13.149 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -2.077 -15.180 -16.165 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.370 -15.167 -14.943 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.680 -13.633 -15.525 1.00 0.00 H new ATOM 983 N ARG A 62 0.060 -16.466 -12.086 1.00 0.00 N ATOM 984 CA ARG A 62 0.325 -17.890 -12.212 1.00 0.00 C ATOM 985 C ARG A 62 0.151 -18.594 -10.874 1.00 0.00 C ATOM 986 O ARG A 62 -0.240 -19.759 -10.827 1.00 0.00 O ATOM 987 CB ARG A 62 1.751 -18.107 -12.721 1.00 0.00 C ATOM 988 CG ARG A 62 1.892 -19.524 -13.283 1.00 0.00 C ATOM 989 CD ARG A 62 3.272 -19.681 -13.927 1.00 0.00 C ATOM 990 NE ARG A 62 3.851 -20.982 -13.600 1.00 0.00 N ATOM 991 CZ ARG A 62 3.603 -22.058 -14.345 1.00 0.00 C ATOM 992 NH1 ARG A 62 2.810 -21.970 -15.379 1.00 0.00 N ATOM 993 NH2 ARG A 62 4.167 -23.198 -14.053 1.00 0.00 N ATOM 0 H ARG A 62 0.836 -15.864 -12.363 1.00 0.00 H new ATOM 0 HA ARG A 62 -0.388 -18.310 -12.922 1.00 0.00 H new ATOM 0 HB2 ARG A 62 1.986 -17.375 -13.493 1.00 0.00 H new ATOM 0 HB3 ARG A 62 2.463 -17.955 -11.910 1.00 0.00 H new ATOM 0 HG2 ARG A 62 1.765 -20.257 -12.487 1.00 0.00 H new ATOM 0 HG3 ARG A 62 1.111 -19.714 -14.019 1.00 0.00 H new ATOM 0 HD2 ARG A 62 3.188 -19.577 -15.009 1.00 0.00 H new ATOM 0 HD3 ARG A 62 3.933 -18.886 -13.581 1.00 0.00 H new ATOM 0 HE ARG A 62 4.458 -21.068 -12.784 1.00 0.00 H new ATOM 0 HH11 ARG A 62 2.380 -21.076 -15.617 1.00 0.00 H new ATOM 0 HH12 ARG A 62 2.621 -22.795 -15.949 1.00 0.00 H new ATOM 0 HH21 ARG A 62 4.798 -23.265 -13.254 1.00 0.00 H new ATOM 0 HH22 ARG A 62 3.977 -24.022 -14.624 1.00 0.00 H new ATOM 1007 N ASP A 63 0.434 -17.876 -9.794 1.00 0.00 N ATOM 1008 CA ASP A 63 0.295 -18.437 -8.458 1.00 0.00 C ATOM 1009 C ASP A 63 -0.726 -17.633 -7.668 1.00 0.00 C ATOM 1010 O ASP A 63 -0.548 -16.433 -7.458 1.00 0.00 O ATOM 1011 CB ASP A 63 1.637 -18.408 -7.735 1.00 0.00 C ATOM 1012 CG ASP A 63 2.254 -19.800 -7.742 1.00 0.00 C ATOM 1013 OD1 ASP A 63 3.074 -20.057 -8.605 1.00 0.00 O ATOM 1014 OD2 ASP A 63 1.894 -20.587 -6.883 1.00 0.00 O ATOM 0 H ASP A 63 0.759 -16.910 -9.817 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.042 -19.470 -8.542 1.00 0.00 H new ATOM 0 HB2 ASP A 63 2.308 -17.700 -8.222 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.501 -18.065 -6.709 1.00 0.00 H new ATOM 1019 N LYS A 64 -1.796 -18.291 -7.242 1.00 0.00 N ATOM 1020 CA LYS A 64 -2.834 -17.613 -6.484 1.00 0.00 C ATOM 1021 C LYS A 64 -2.251 -17.045 -5.199 1.00 0.00 C ATOM 1022 O LYS A 64 -2.606 -15.955 -4.778 1.00 0.00 O ATOM 1023 CB LYS A 64 -3.981 -18.598 -6.176 1.00 0.00 C ATOM 1024 CG LYS A 64 -4.896 -18.093 -5.036 1.00 0.00 C ATOM 1025 CD LYS A 64 -5.692 -16.852 -5.471 1.00 0.00 C ATOM 1026 CE LYS A 64 -7.159 -17.240 -5.670 1.00 0.00 C ATOM 1027 NZ LYS A 64 -7.782 -17.466 -4.336 1.00 0.00 N ATOM 0 H LYS A 64 -1.966 -19.283 -7.407 1.00 0.00 H new ATOM 0 HA LYS A 64 -3.234 -16.788 -7.074 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -4.576 -18.752 -7.076 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -3.562 -19.566 -5.901 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -5.584 -18.885 -4.741 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -4.292 -17.853 -4.161 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.609 -16.069 -4.717 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -5.281 -16.448 -6.396 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -7.688 -16.452 -6.205 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -7.232 -18.142 -6.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -8.810 -17.328 -4.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -7.584 -18.437 -4.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -7.387 -16.791 -3.650 1.00 0.00 H new ATOM 1041 N ASN A 65 -1.367 -17.798 -4.571 1.00 0.00 N ATOM 1042 CA ASN A 65 -0.767 -17.350 -3.329 1.00 0.00 C ATOM 1043 C ASN A 65 0.185 -16.183 -3.572 1.00 0.00 C ATOM 1044 O ASN A 65 0.384 -15.338 -2.697 1.00 0.00 O ATOM 1045 CB ASN A 65 -0.019 -18.506 -2.670 1.00 0.00 C ATOM 1046 CG ASN A 65 -0.937 -19.216 -1.679 1.00 0.00 C ATOM 1047 OD1 ASN A 65 -1.573 -20.212 -2.028 1.00 0.00 O ATOM 1048 ND2 ASN A 65 -1.051 -18.759 -0.463 1.00 0.00 N ATOM 0 H ASN A 65 -1.052 -18.712 -4.896 1.00 0.00 H new ATOM 0 HA ASN A 65 -1.562 -17.008 -2.666 1.00 0.00 H new ATOM 0 HB2 ASN A 65 0.325 -19.209 -3.429 1.00 0.00 H new ATOM 0 HB3 ASN A 65 0.867 -18.133 -2.156 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -1.668 -19.226 0.202 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -0.523 -17.934 -0.177 1.00 0.00 H new ATOM 1055 N ALA A 66 0.775 -16.142 -4.762 1.00 0.00 N ATOM 1056 CA ALA A 66 1.714 -15.080 -5.098 1.00 0.00 C ATOM 1057 C ALA A 66 1.001 -13.740 -5.224 1.00 0.00 C ATOM 1058 O ALA A 66 1.280 -12.795 -4.468 1.00 0.00 O ATOM 1059 CB ALA A 66 2.404 -15.414 -6.423 1.00 0.00 C ATOM 0 H ALA A 66 0.621 -16.826 -5.503 1.00 0.00 H new ATOM 0 HA ALA A 66 2.451 -15.005 -4.299 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.107 -14.621 -6.677 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.941 -16.358 -6.326 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.656 -15.502 -7.211 1.00 0.00 H new ATOM 1065 N LEU A 67 0.066 -13.655 -6.170 1.00 0.00 N ATOM 1066 CA LEU A 67 -0.664 -12.418 -6.354 1.00 0.00 C ATOM 1067 C LEU A 67 -1.369 -12.052 -5.057 1.00 0.00 C ATOM 1068 O LEU A 67 -1.515 -10.876 -4.739 1.00 0.00 O ATOM 1069 CB LEU A 67 -1.658 -12.516 -7.535 1.00 0.00 C ATOM 1070 CG LEU A 67 -3.120 -12.637 -7.053 1.00 0.00 C ATOM 1071 CD1 LEU A 67 -4.066 -12.505 -8.242 1.00 0.00 C ATOM 1072 CD2 LEU A 67 -3.336 -14.001 -6.395 1.00 0.00 C ATOM 0 H LEU A 67 -0.194 -14.412 -6.803 1.00 0.00 H new ATOM 0 HA LEU A 67 0.041 -11.626 -6.607 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.557 -11.634 -8.168 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.406 -13.380 -8.150 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.322 -11.845 -6.332 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.097 -12.591 -7.898 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.921 -11.534 -8.716 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.857 -13.295 -8.963 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.369 -14.082 -6.056 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.128 -14.790 -7.117 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.665 -14.104 -5.542 1.00 0.00 H new ATOM 1084 N GLN A 68 -1.840 -13.063 -4.325 1.00 0.00 N ATOM 1085 CA GLN A 68 -2.565 -12.795 -3.093 1.00 0.00 C ATOM 1086 C GLN A 68 -1.678 -12.035 -2.113 1.00 0.00 C ATOM 1087 O GLN A 68 -2.075 -11.008 -1.544 1.00 0.00 O ATOM 1088 CB GLN A 68 -3.059 -14.085 -2.427 1.00 0.00 C ATOM 1089 CG GLN A 68 -4.564 -14.270 -2.696 1.00 0.00 C ATOM 1090 CD GLN A 68 -5.367 -13.404 -1.739 1.00 0.00 C ATOM 1091 OE1 GLN A 68 -5.410 -12.117 -1.945 1.00 0.00 O flip ATOM 1092 NE2 GLN A 68 -5.967 -13.906 -0.789 1.00 0.00 N flip ATOM 0 H GLN A 68 -1.734 -14.050 -4.560 1.00 0.00 H new ATOM 0 HA GLN A 68 -3.433 -12.191 -3.356 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -2.504 -14.940 -2.813 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -2.875 -14.044 -1.353 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -4.795 -14.000 -3.726 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -4.839 -15.317 -2.572 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -5.928 -14.914 -0.636 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -6.504 -13.314 -0.155 1.00 0.00 H new ATOM 1101 N ASN A 69 -0.471 -12.548 -1.913 1.00 0.00 N ATOM 1102 CA ASN A 69 0.461 -11.914 -0.999 1.00 0.00 C ATOM 1103 C ASN A 69 0.658 -10.454 -1.377 1.00 0.00 C ATOM 1104 O ASN A 69 0.650 -9.573 -0.518 1.00 0.00 O ATOM 1105 CB ASN A 69 1.803 -12.640 -1.035 1.00 0.00 C ATOM 1106 CG ASN A 69 2.838 -11.779 -1.750 1.00 0.00 C ATOM 1107 OD1 ASN A 69 3.371 -10.835 -1.166 1.00 0.00 O ATOM 1108 ND2 ASN A 69 3.155 -12.050 -2.987 1.00 0.00 N ATOM 0 H ASN A 69 -0.120 -13.391 -2.367 1.00 0.00 H new ATOM 0 HA ASN A 69 0.051 -11.967 0.010 1.00 0.00 H new ATOM 0 HB2 ASN A 69 2.136 -12.858 -0.020 1.00 0.00 H new ATOM 0 HB3 ASN A 69 1.696 -13.596 -1.547 1.00 0.00 H new ATOM 0 HD21 ASN A 69 3.846 -11.479 -3.473 1.00 0.00 H new ATOM 0 HD22 ASN A 69 2.711 -12.833 -3.467 1.00 0.00 H new ATOM 1115 N ILE A 70 0.836 -10.200 -2.670 1.00 0.00 N ATOM 1116 CA ILE A 70 1.034 -8.828 -3.133 1.00 0.00 C ATOM 1117 C ILE A 70 -0.279 -8.048 -3.100 1.00 0.00 C ATOM 1118 O ILE A 70 -0.290 -6.855 -2.803 1.00 0.00 O ATOM 1119 CB ILE A 70 1.602 -8.825 -4.551 1.00 0.00 C ATOM 1120 CG1 ILE A 70 3.092 -9.190 -4.518 1.00 0.00 C ATOM 1121 CG2 ILE A 70 1.431 -7.430 -5.157 1.00 0.00 C ATOM 1122 CD1 ILE A 70 3.360 -10.306 -5.527 1.00 0.00 C ATOM 0 H ILE A 70 0.848 -10.909 -3.403 1.00 0.00 H new ATOM 0 HA ILE A 70 1.743 -8.343 -2.462 1.00 0.00 H new ATOM 0 HB ILE A 70 1.069 -9.559 -5.156 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.698 -8.316 -4.756 1.00 0.00 H new ATOM 0 HG13 ILE A 70 3.377 -9.513 -3.517 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.835 -7.421 -6.169 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.372 -7.173 -5.186 1.00 0.00 H new ATOM 0 HG23 ILE A 70 1.964 -6.701 -4.547 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.418 -10.568 -5.507 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.764 -11.181 -5.268 1.00 0.00 H new ATOM 0 HD13 ILE A 70 3.090 -9.965 -6.527 1.00 0.00 H new ATOM 1134 N ILE A 71 -1.383 -8.720 -3.401 1.00 0.00 N ATOM 1135 CA ILE A 71 -2.685 -8.067 -3.394 1.00 0.00 C ATOM 1136 C ILE A 71 -2.858 -7.268 -2.110 1.00 0.00 C ATOM 1137 O ILE A 71 -3.233 -6.098 -2.139 1.00 0.00 O ATOM 1138 CB ILE A 71 -3.793 -9.119 -3.500 1.00 0.00 C ATOM 1139 CG1 ILE A 71 -4.097 -9.423 -4.966 1.00 0.00 C ATOM 1140 CG2 ILE A 71 -5.061 -8.632 -2.811 1.00 0.00 C ATOM 1141 CD1 ILE A 71 -5.122 -8.427 -5.505 1.00 0.00 C ATOM 0 H ILE A 71 -1.403 -9.709 -3.651 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.748 -7.391 -4.247 1.00 0.00 H new ATOM 0 HB ILE A 71 -3.446 -10.027 -3.007 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -3.181 -9.369 -5.555 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -4.479 -10.439 -5.063 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -5.837 -9.393 -2.897 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -4.853 -8.443 -1.758 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -5.402 -7.711 -3.285 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -5.332 -8.651 -6.551 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -6.042 -8.502 -4.925 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -4.724 -7.416 -5.424 1.00 0.00 H new ATOM 1153 N LEU A 72 -2.603 -7.907 -0.977 1.00 0.00 N ATOM 1154 CA LEU A 72 -2.760 -7.219 0.300 1.00 0.00 C ATOM 1155 C LEU A 72 -1.886 -5.979 0.375 1.00 0.00 C ATOM 1156 O LEU A 72 -1.941 -5.232 1.352 1.00 0.00 O ATOM 1157 CB LEU A 72 -2.410 -8.157 1.437 1.00 0.00 C ATOM 1158 CG LEU A 72 -3.326 -9.366 1.361 1.00 0.00 C ATOM 1159 CD1 LEU A 72 -2.491 -10.630 1.497 1.00 0.00 C ATOM 1160 CD2 LEU A 72 -4.351 -9.274 2.491 1.00 0.00 C ATOM 0 H LEU A 72 -2.294 -8.877 -0.913 1.00 0.00 H new ATOM 0 HA LEU A 72 -3.801 -6.907 0.386 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.367 -8.466 1.366 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.528 -7.652 2.395 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.850 -9.393 0.405 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.141 -11.503 1.443 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.760 -10.672 0.689 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.972 -10.622 2.456 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.017 -10.136 2.450 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.834 -9.260 3.451 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.934 -8.360 2.380 1.00 0.00 H new ATOM 1172 N TYR A 73 -1.080 -5.763 -0.656 1.00 0.00 N ATOM 1173 CA TYR A 73 -0.199 -4.605 -0.687 1.00 0.00 C ATOM 1174 C TYR A 73 0.457 -4.392 0.669 1.00 0.00 C ATOM 1175 O TYR A 73 0.574 -3.254 1.138 1.00 0.00 O ATOM 1176 CB TYR A 73 -0.985 -3.350 -1.065 1.00 0.00 C ATOM 1177 CG TYR A 73 -2.068 -3.703 -2.054 1.00 0.00 C ATOM 1178 CD1 TYR A 73 -1.731 -4.269 -3.290 1.00 0.00 C ATOM 1179 CD2 TYR A 73 -3.412 -3.462 -1.737 1.00 0.00 C ATOM 1180 CE1 TYR A 73 -2.735 -4.596 -4.208 1.00 0.00 C ATOM 1181 CE2 TYR A 73 -4.416 -3.789 -2.656 1.00 0.00 C ATOM 1182 CZ TYR A 73 -4.078 -4.356 -3.891 1.00 0.00 C ATOM 1183 OH TYR A 73 -5.065 -4.681 -4.796 1.00 0.00 O ATOM 0 H TYR A 73 -1.018 -6.369 -1.474 1.00 0.00 H new ATOM 0 HA TYR A 73 0.573 -4.791 -1.433 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -1.426 -2.904 -0.174 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -0.315 -2.606 -1.496 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -0.695 -4.453 -3.535 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -3.673 -3.024 -0.785 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -2.475 -5.033 -5.161 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -5.452 -3.604 -2.412 1.00 0.00 H new ATOM 0 HH TYR A 73 -5.472 -5.536 -4.543 1.00 0.00 H new ATOM 1193 N HIS A 74 0.873 -5.490 1.302 1.00 0.00 N ATOM 1194 CA HIS A 74 1.512 -5.407 2.608 1.00 0.00 C ATOM 1195 C HIS A 74 0.589 -4.731 3.614 1.00 0.00 C ATOM 1196 O HIS A 74 1.011 -3.834 4.344 1.00 0.00 O ATOM 1197 CB HIS A 74 2.827 -4.627 2.507 1.00 0.00 C ATOM 1198 CG HIS A 74 3.872 -5.492 1.862 1.00 0.00 C ATOM 1199 ND1 HIS A 74 5.139 -5.852 2.256 1.00 0.00 N flip ATOM 1200 CD2 HIS A 74 3.671 -6.105 0.635 1.00 0.00 C flip ATOM 1201 CE1 HIS A 74 5.714 -6.674 1.292 1.00 0.00 C flip ATOM 1202 NE2 HIS A 74 4.789 -6.792 0.336 1.00 0.00 N flip ATOM 0 H HIS A 74 0.779 -6.436 0.933 1.00 0.00 H new ATOM 0 HA HIS A 74 1.723 -6.420 2.950 1.00 0.00 H new ATOM 0 HB2 HIS A 74 2.680 -3.719 1.923 1.00 0.00 H new ATOM 0 HB3 HIS A 74 3.156 -4.318 3.499 1.00 0.00 H new ATOM 0 HD2 HIS A 74 2.779 -6.043 0.029 1.00 0.00 H new ATOM 0 HE1 HIS A 74 6.697 -7.121 1.312 1.00 0.00 H new ATOM 0 HE2 HIS A 74 4.915 -7.337 -0.517 1.00 0.00 H new ATOM 1211 N LEU A 75 -0.673 -5.167 3.654 1.00 0.00 N ATOM 1212 CA LEU A 75 -1.629 -4.585 4.592 1.00 0.00 C ATOM 1213 C LEU A 75 -1.137 -4.792 6.016 1.00 0.00 C ATOM 1214 O LEU A 75 -0.835 -5.919 6.410 1.00 0.00 O ATOM 1215 CB LEU A 75 -3.015 -5.237 4.409 1.00 0.00 C ATOM 1216 CG LEU A 75 -3.882 -5.097 5.681 1.00 0.00 C ATOM 1217 CD1 LEU A 75 -4.061 -3.623 6.049 1.00 0.00 C ATOM 1218 CD2 LEU A 75 -5.262 -5.705 5.426 1.00 0.00 C ATOM 0 H LEU A 75 -1.049 -5.906 3.060 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.718 -3.516 4.396 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.527 -4.773 3.566 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.892 -6.292 4.166 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.382 -5.616 6.499 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.674 -3.544 6.947 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.086 -3.173 6.235 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.551 -3.100 5.228 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.874 -5.607 6.322 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.743 -5.182 4.599 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.154 -6.760 5.174 1.00 0.00 H new ATOM 1230 N THR A 76 -1.078 -3.711 6.786 1.00 0.00 N ATOM 1231 CA THR A 76 -0.640 -3.804 8.174 1.00 0.00 C ATOM 1232 C THR A 76 -1.753 -3.322 9.113 1.00 0.00 C ATOM 1233 O THR A 76 -2.455 -2.363 8.788 1.00 0.00 O ATOM 1234 CB THR A 76 0.642 -2.964 8.384 1.00 0.00 C ATOM 1235 OG1 THR A 76 1.717 -3.829 8.728 1.00 0.00 O ATOM 1236 CG2 THR A 76 0.454 -1.938 9.511 1.00 0.00 C ATOM 0 H THR A 76 -1.325 -2.771 6.478 1.00 0.00 H new ATOM 0 HA THR A 76 -0.417 -4.846 8.405 1.00 0.00 H new ATOM 0 HB THR A 76 0.857 -2.431 7.458 1.00 0.00 H new ATOM 0 HG1 THR A 76 2.532 -3.301 8.861 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.371 -1.362 9.636 1.00 0.00 H new ATOM 0 HG22 THR A 76 -0.365 -1.265 9.257 1.00 0.00 H new ATOM 0 HG23 THR A 76 0.222 -2.457 10.441 1.00 0.00 H new ATOM 1244 N PRO A 77 -1.905 -3.926 10.274 1.00 0.00 N ATOM 1245 CA PRO A 77 -2.936 -3.494 11.258 1.00 0.00 C ATOM 1246 C PRO A 77 -2.507 -2.250 12.028 1.00 0.00 C ATOM 1247 O PRO A 77 -1.322 -2.049 12.295 1.00 0.00 O ATOM 1248 CB PRO A 77 -3.055 -4.690 12.199 1.00 0.00 C ATOM 1249 CG PRO A 77 -1.710 -5.337 12.172 1.00 0.00 C ATOM 1250 CD PRO A 77 -1.131 -5.083 10.779 1.00 0.00 C ATOM 0 HA PRO A 77 -3.875 -3.224 10.775 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.321 -4.374 13.208 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -3.831 -5.379 11.866 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -1.063 -4.918 12.943 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -1.790 -6.406 12.369 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.065 -4.861 10.825 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.248 -5.954 10.134 1.00 0.00 H new ATOM 1258 N GLY A 78 -3.482 -1.419 12.393 1.00 0.00 N ATOM 1259 CA GLY A 78 -3.197 -0.200 13.142 1.00 0.00 C ATOM 1260 C GLY A 78 -2.505 0.838 12.267 1.00 0.00 C ATOM 1261 O GLY A 78 -1.368 0.643 11.836 1.00 0.00 O ATOM 0 H GLY A 78 -4.469 -1.567 12.183 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -4.126 0.213 13.535 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -2.566 -0.436 13.999 1.00 0.00 H new ATOM 1265 N VAL A 79 -3.199 1.940 12.013 1.00 0.00 N ATOM 1266 CA VAL A 79 -2.645 3.009 11.190 1.00 0.00 C ATOM 1267 C VAL A 79 -1.258 3.400 11.687 1.00 0.00 C ATOM 1268 O VAL A 79 -1.060 3.643 12.877 1.00 0.00 O ATOM 1269 CB VAL A 79 -3.565 4.231 11.228 1.00 0.00 C ATOM 1270 CG1 VAL A 79 -4.818 3.955 10.397 1.00 0.00 C ATOM 1271 CG2 VAL A 79 -3.969 4.525 12.675 1.00 0.00 C ATOM 0 H VAL A 79 -4.141 2.117 12.362 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.565 2.648 10.165 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.038 5.091 10.816 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.472 4.826 10.425 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -4.532 3.749 9.366 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.344 3.093 10.807 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.624 5.396 12.700 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.494 3.664 13.088 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -3.077 4.725 13.268 1.00 0.00 H new ATOM 1281 N PHE A 80 -0.302 3.459 10.766 1.00 0.00 N ATOM 1282 CA PHE A 80 1.063 3.822 11.128 1.00 0.00 C ATOM 1283 C PHE A 80 1.278 5.323 10.959 1.00 0.00 C ATOM 1284 O PHE A 80 0.827 5.916 9.979 1.00 0.00 O ATOM 1285 CB PHE A 80 2.058 3.058 10.252 1.00 0.00 C ATOM 1286 CG PHE A 80 3.000 4.035 9.595 1.00 0.00 C ATOM 1287 CD1 PHE A 80 2.596 4.728 8.450 1.00 0.00 C ATOM 1288 CD2 PHE A 80 4.274 4.255 10.134 1.00 0.00 C ATOM 1289 CE1 PHE A 80 3.463 5.639 7.841 1.00 0.00 C ATOM 1290 CE2 PHE A 80 5.144 5.166 9.524 1.00 0.00 C ATOM 1291 CZ PHE A 80 4.738 5.859 8.377 1.00 0.00 C ATOM 0 H PHE A 80 -0.444 3.263 9.775 1.00 0.00 H new ATOM 0 HA PHE A 80 1.226 3.558 12.173 1.00 0.00 H new ATOM 0 HB2 PHE A 80 2.619 2.345 10.857 1.00 0.00 H new ATOM 0 HB3 PHE A 80 1.526 2.483 9.494 1.00 0.00 H new ATOM 0 HD1 PHE A 80 1.613 4.559 8.036 1.00 0.00 H new ATOM 0 HD2 PHE A 80 4.585 3.722 11.020 1.00 0.00 H new ATOM 0 HE1 PHE A 80 3.150 6.174 6.957 1.00 0.00 H new ATOM 0 HE2 PHE A 80 6.127 5.334 9.938 1.00 0.00 H new ATOM 0 HZ PHE A 80 5.408 6.563 7.906 1.00 0.00 H new ATOM 1301 N ILE A 81 1.968 5.931 11.924 1.00 0.00 N ATOM 1302 CA ILE A 81 2.238 7.365 11.876 1.00 0.00 C ATOM 1303 C ILE A 81 3.737 7.629 11.954 1.00 0.00 C ATOM 1304 O ILE A 81 4.420 7.141 12.856 1.00 0.00 O ATOM 1305 CB ILE A 81 1.535 8.074 13.038 1.00 0.00 C ATOM 1306 CG1 ILE A 81 0.373 7.211 13.537 1.00 0.00 C ATOM 1307 CG2 ILE A 81 0.998 9.428 12.562 1.00 0.00 C ATOM 1308 CD1 ILE A 81 -0.421 7.982 14.596 1.00 0.00 C ATOM 0 H ILE A 81 2.347 5.455 12.743 1.00 0.00 H new ATOM 0 HA ILE A 81 1.857 7.753 10.931 1.00 0.00 H new ATOM 0 HB ILE A 81 2.246 8.230 13.850 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.277 6.942 12.705 1.00 0.00 H new ATOM 0 HG13 ILE A 81 0.753 6.280 13.959 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.498 9.932 13.389 1.00 0.00 H new ATOM 0 HG22 ILE A 81 1.825 10.044 12.209 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.288 9.273 11.749 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -1.248 7.367 14.950 1.00 0.00 H new ATOM 0 HD12 ILE A 81 0.233 8.228 15.433 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -0.813 8.900 14.159 1.00 0.00 H new ATOM 1320 N GLY A 82 4.245 8.406 11.001 1.00 0.00 N ATOM 1321 CA GLY A 82 5.665 8.732 10.967 1.00 0.00 C ATOM 1322 C GLY A 82 6.070 9.521 12.207 1.00 0.00 C ATOM 1323 O GLY A 82 7.223 9.477 12.635 1.00 0.00 O ATOM 0 H GLY A 82 3.697 8.819 10.246 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.252 7.815 10.906 1.00 0.00 H new ATOM 0 HA3 GLY A 82 5.888 9.313 10.072 1.00 0.00 H new ATOM 1327 N LYS A 83 5.113 10.244 12.779 1.00 0.00 N ATOM 1328 CA LYS A 83 5.379 11.040 13.971 1.00 0.00 C ATOM 1329 C LYS A 83 5.269 10.179 15.227 1.00 0.00 C ATOM 1330 O LYS A 83 5.785 10.539 16.285 1.00 0.00 O ATOM 1331 CB LYS A 83 4.395 12.205 14.059 1.00 0.00 C ATOM 1332 CG LYS A 83 2.970 11.662 13.993 1.00 0.00 C ATOM 1333 CD LYS A 83 2.236 11.937 15.309 1.00 0.00 C ATOM 1334 CE LYS A 83 1.899 13.425 15.412 1.00 0.00 C ATOM 1335 NZ LYS A 83 2.113 13.887 16.813 1.00 0.00 N ATOM 0 H LYS A 83 4.153 10.295 12.439 1.00 0.00 H new ATOM 0 HA LYS A 83 6.394 11.432 13.900 1.00 0.00 H new ATOM 0 HB2 LYS A 83 4.545 12.755 14.988 1.00 0.00 H new ATOM 0 HB3 LYS A 83 4.568 12.906 13.243 1.00 0.00 H new ATOM 0 HG2 LYS A 83 2.434 12.127 13.166 1.00 0.00 H new ATOM 0 HG3 LYS A 83 2.991 10.590 13.797 1.00 0.00 H new ATOM 0 HD2 LYS A 83 1.323 11.344 15.358 1.00 0.00 H new ATOM 0 HD3 LYS A 83 2.857 11.636 16.153 1.00 0.00 H new ATOM 0 HE2 LYS A 83 2.525 13.999 14.729 1.00 0.00 H new ATOM 0 HE3 LYS A 83 0.864 13.596 15.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 1.884 14.899 16.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 1.498 13.347 17.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 3.107 13.738 17.080 1.00 0.00 H new ATOM 1349 N GLY A 84 4.595 9.040 15.100 1.00 0.00 N ATOM 1350 CA GLY A 84 4.426 8.137 16.231 1.00 0.00 C ATOM 1351 C GLY A 84 5.698 7.336 16.484 1.00 0.00 C ATOM 1352 O GLY A 84 6.074 7.096 17.631 1.00 0.00 O ATOM 0 H GLY A 84 4.161 8.723 14.233 1.00 0.00 H new ATOM 0 HA2 GLY A 84 4.169 8.709 17.122 1.00 0.00 H new ATOM 0 HA3 GLY A 84 3.596 7.457 16.038 1.00 0.00 H new ATOM 1356 N PHE A 85 6.358 6.922 15.406 1.00 0.00 N ATOM 1357 CA PHE A 85 7.588 6.148 15.530 1.00 0.00 C ATOM 1358 C PHE A 85 8.805 7.072 15.531 1.00 0.00 C ATOM 1359 O PHE A 85 8.714 8.232 15.125 1.00 0.00 O ATOM 1360 CB PHE A 85 7.697 5.151 14.375 1.00 0.00 C ATOM 1361 CG PHE A 85 7.529 3.750 14.911 1.00 0.00 C ATOM 1362 CD1 PHE A 85 6.355 3.034 14.651 1.00 0.00 C ATOM 1363 CD2 PHE A 85 8.547 3.170 15.676 1.00 0.00 C ATOM 1364 CE1 PHE A 85 6.200 1.738 15.154 1.00 0.00 C ATOM 1365 CE2 PHE A 85 8.394 1.874 16.180 1.00 0.00 C ATOM 1366 CZ PHE A 85 7.219 1.158 15.919 1.00 0.00 C ATOM 0 H PHE A 85 6.065 7.107 14.447 1.00 0.00 H new ATOM 0 HA PHE A 85 7.561 5.604 16.474 1.00 0.00 H new ATOM 0 HB2 PHE A 85 6.934 5.360 13.625 1.00 0.00 H new ATOM 0 HB3 PHE A 85 8.664 5.251 13.882 1.00 0.00 H new ATOM 0 HD1 PHE A 85 5.569 3.482 14.062 1.00 0.00 H new ATOM 0 HD2 PHE A 85 9.452 3.724 15.878 1.00 0.00 H new ATOM 0 HE1 PHE A 85 5.295 1.185 14.952 1.00 0.00 H new ATOM 0 HE2 PHE A 85 9.181 1.426 16.769 1.00 0.00 H new ATOM 0 HZ PHE A 85 7.099 0.158 16.308 1.00 0.00 H new ATOM 1376 N GLU A 86 9.944 6.553 15.989 1.00 0.00 N ATOM 1377 CA GLU A 86 11.164 7.354 16.035 1.00 0.00 C ATOM 1378 C GLU A 86 11.685 7.637 14.617 1.00 0.00 C ATOM 1379 O GLU A 86 11.921 6.695 13.857 1.00 0.00 O ATOM 1380 CB GLU A 86 12.242 6.611 16.830 1.00 0.00 C ATOM 1381 CG GLU A 86 13.362 7.589 17.183 1.00 0.00 C ATOM 1382 CD GLU A 86 12.896 8.542 18.279 1.00 0.00 C ATOM 1383 OE1 GLU A 86 12.258 8.080 19.210 1.00 0.00 O ATOM 1384 OE2 GLU A 86 13.186 9.723 18.171 1.00 0.00 O ATOM 0 H GLU A 86 10.046 5.597 16.328 1.00 0.00 H new ATOM 0 HA GLU A 86 10.933 8.302 16.521 1.00 0.00 H new ATOM 0 HB2 GLU A 86 11.814 6.185 17.738 1.00 0.00 H new ATOM 0 HB3 GLU A 86 12.637 5.781 16.244 1.00 0.00 H new ATOM 0 HG2 GLU A 86 14.243 7.041 17.517 1.00 0.00 H new ATOM 0 HG3 GLU A 86 13.655 8.154 16.298 1.00 0.00 H new ATOM 1391 N PRO A 87 11.882 8.893 14.243 1.00 0.00 N ATOM 1392 CA PRO A 87 12.399 9.249 12.886 1.00 0.00 C ATOM 1393 C PRO A 87 13.914 9.079 12.788 1.00 0.00 C ATOM 1394 O PRO A 87 14.640 9.334 13.747 1.00 0.00 O ATOM 1395 CB PRO A 87 12.014 10.718 12.738 1.00 0.00 C ATOM 1396 CG PRO A 87 12.023 11.261 14.128 1.00 0.00 C ATOM 1397 CD PRO A 87 11.635 10.110 15.053 1.00 0.00 C ATOM 0 HA PRO A 87 11.988 8.608 12.106 1.00 0.00 H new ATOM 0 HB2 PRO A 87 12.722 11.249 12.102 1.00 0.00 H new ATOM 0 HB3 PRO A 87 11.031 10.824 12.279 1.00 0.00 H new ATOM 0 HG2 PRO A 87 13.009 11.648 14.385 1.00 0.00 H new ATOM 0 HG3 PRO A 87 11.320 12.088 14.224 1.00 0.00 H new ATOM 0 HD2 PRO A 87 12.235 10.111 15.963 1.00 0.00 H new ATOM 0 HD3 PRO A 87 10.591 10.180 15.359 1.00 0.00 H new ATOM 1405 N GLY A 88 14.382 8.651 11.620 1.00 0.00 N ATOM 1406 CA GLY A 88 15.813 8.459 11.407 1.00 0.00 C ATOM 1407 C GLY A 88 16.183 6.983 11.480 1.00 0.00 C ATOM 1408 O GLY A 88 16.907 6.473 10.626 1.00 0.00 O ATOM 0 H GLY A 88 13.798 8.432 10.813 1.00 0.00 H new ATOM 0 HA2 GLY A 88 16.097 8.861 10.434 1.00 0.00 H new ATOM 0 HA3 GLY A 88 16.374 9.016 12.158 1.00 0.00 H new ATOM 1412 N VAL A 89 15.687 6.301 12.507 1.00 0.00 N ATOM 1413 CA VAL A 89 15.981 4.888 12.675 1.00 0.00 C ATOM 1414 C VAL A 89 14.928 4.032 11.982 1.00 0.00 C ATOM 1415 O VAL A 89 13.730 4.206 12.203 1.00 0.00 O ATOM 1416 CB VAL A 89 16.024 4.541 14.160 1.00 0.00 C ATOM 1417 CG1 VAL A 89 16.855 5.588 14.904 1.00 0.00 C ATOM 1418 CG2 VAL A 89 14.600 4.526 14.721 1.00 0.00 C ATOM 0 H VAL A 89 15.086 6.701 13.227 1.00 0.00 H new ATOM 0 HA VAL A 89 16.951 4.682 12.223 1.00 0.00 H new ATOM 0 HB VAL A 89 16.477 3.558 14.291 1.00 0.00 H new ATOM 0 HG11 VAL A 89 16.886 5.341 15.965 1.00 0.00 H new ATOM 0 HG12 VAL A 89 17.869 5.599 14.504 1.00 0.00 H new ATOM 0 HG13 VAL A 89 16.403 6.571 14.774 1.00 0.00 H new ATOM 0 HG21 VAL A 89 14.630 4.278 15.782 1.00 0.00 H new ATOM 0 HG22 VAL A 89 14.147 5.509 14.590 1.00 0.00 H new ATOM 0 HG23 VAL A 89 14.008 3.780 14.191 1.00 0.00 H new ATOM 1428 N THR A 90 15.382 3.103 11.147 1.00 0.00 N ATOM 1429 CA THR A 90 14.462 2.227 10.434 1.00 0.00 C ATOM 1430 C THR A 90 13.607 1.440 11.424 1.00 0.00 C ATOM 1431 O THR A 90 14.110 0.957 12.438 1.00 0.00 O ATOM 1432 CB THR A 90 15.243 1.256 9.544 1.00 0.00 C ATOM 1433 OG1 THR A 90 16.538 1.784 9.293 1.00 0.00 O ATOM 1434 CG2 THR A 90 14.498 1.069 8.222 1.00 0.00 C ATOM 0 H THR A 90 16.369 2.939 10.949 1.00 0.00 H new ATOM 0 HA THR A 90 13.811 2.841 9.811 1.00 0.00 H new ATOM 0 HB THR A 90 15.337 0.293 10.046 1.00 0.00 H new ATOM 0 HG1 THR A 90 17.040 1.163 8.725 1.00 0.00 H new ATOM 0 HG21 THR A 90 15.052 0.378 7.587 1.00 0.00 H new ATOM 0 HG22 THR A 90 13.505 0.665 8.418 1.00 0.00 H new ATOM 0 HG23 THR A 90 14.405 2.031 7.718 1.00 0.00 H new ATOM 1442 N ASN A 91 12.316 1.320 11.122 1.00 0.00 N ATOM 1443 CA ASN A 91 11.398 0.594 11.996 1.00 0.00 C ATOM 1444 C ASN A 91 10.814 -0.618 11.278 1.00 0.00 C ATOM 1445 O ASN A 91 10.292 -0.505 10.169 1.00 0.00 O ATOM 1446 CB ASN A 91 10.263 1.521 12.443 1.00 0.00 C ATOM 1447 CG ASN A 91 10.837 2.826 12.986 1.00 0.00 C ATOM 1448 OD1 ASN A 91 11.716 2.806 13.847 1.00 0.00 O ATOM 1449 ND2 ASN A 91 10.390 3.964 12.532 1.00 0.00 N ATOM 0 H ASN A 91 11.885 1.713 10.285 1.00 0.00 H new ATOM 0 HA ASN A 91 11.954 0.249 12.868 1.00 0.00 H new ATOM 0 HB2 ASN A 91 9.599 1.728 11.603 1.00 0.00 H new ATOM 0 HB3 ASN A 91 9.663 1.031 13.210 1.00 0.00 H new ATOM 0 HD21 ASN A 91 10.769 4.840 12.891 1.00 0.00 H new ATOM 0 HD22 ASN A 91 9.661 3.978 11.818 1.00 0.00 H new ATOM 1456 N ILE A 92 10.904 -1.777 11.921 1.00 0.00 N ATOM 1457 CA ILE A 92 10.378 -3.008 11.339 1.00 0.00 C ATOM 1458 C ILE A 92 8.930 -3.215 11.764 1.00 0.00 C ATOM 1459 O ILE A 92 8.621 -3.218 12.956 1.00 0.00 O ATOM 1460 CB ILE A 92 11.219 -4.202 11.795 1.00 0.00 C ATOM 1461 CG1 ILE A 92 12.705 -3.841 11.725 1.00 0.00 C ATOM 1462 CG2 ILE A 92 10.938 -5.397 10.885 1.00 0.00 C ATOM 1463 CD1 ILE A 92 13.021 -3.215 10.365 1.00 0.00 C ATOM 0 H ILE A 92 11.333 -1.891 12.839 1.00 0.00 H new ATOM 0 HA ILE A 92 10.423 -2.927 10.253 1.00 0.00 H new ATOM 0 HB ILE A 92 10.960 -4.458 12.822 1.00 0.00 H new ATOM 0 HG12 ILE A 92 12.958 -3.144 12.524 1.00 0.00 H new ATOM 0 HG13 ILE A 92 13.313 -4.733 11.876 1.00 0.00 H new ATOM 0 HG21 ILE A 92 11.536 -6.249 11.208 1.00 0.00 H new ATOM 0 HG22 ILE A 92 9.880 -5.655 10.939 1.00 0.00 H new ATOM 0 HG23 ILE A 92 11.197 -5.141 9.858 1.00 0.00 H new ATOM 0 HD11 ILE A 92 14.080 -2.959 10.319 1.00 0.00 H new ATOM 0 HD12 ILE A 92 12.785 -3.926 9.573 1.00 0.00 H new ATOM 0 HD13 ILE A 92 12.424 -2.313 10.232 1.00 0.00 H new ATOM 1475 N LEU A 93 8.046 -3.387 10.785 1.00 0.00 N ATOM 1476 CA LEU A 93 6.632 -3.594 11.077 1.00 0.00 C ATOM 1477 C LEU A 93 6.121 -4.847 10.382 1.00 0.00 C ATOM 1478 O LEU A 93 6.403 -5.079 9.208 1.00 0.00 O ATOM 1479 CB LEU A 93 5.805 -2.387 10.620 1.00 0.00 C ATOM 1480 CG LEU A 93 6.033 -1.196 11.566 1.00 0.00 C ATOM 1481 CD1 LEU A 93 7.376 -0.512 11.271 1.00 0.00 C ATOM 1482 CD2 LEU A 93 4.903 -0.183 11.367 1.00 0.00 C ATOM 0 H LEU A 93 8.281 -3.387 9.792 1.00 0.00 H new ATOM 0 HA LEU A 93 6.526 -3.713 12.155 1.00 0.00 H new ATOM 0 HB2 LEU A 93 6.083 -2.111 9.603 1.00 0.00 H new ATOM 0 HB3 LEU A 93 4.747 -2.648 10.601 1.00 0.00 H new ATOM 0 HG LEU A 93 6.046 -1.561 12.593 1.00 0.00 H new ATOM 0 HD11 LEU A 93 7.514 0.327 11.953 1.00 0.00 H new ATOM 0 HD12 LEU A 93 8.187 -1.228 11.407 1.00 0.00 H new ATOM 0 HD13 LEU A 93 7.381 -0.149 10.243 1.00 0.00 H new ATOM 0 HD21 LEU A 93 5.054 0.666 12.033 1.00 0.00 H new ATOM 0 HD22 LEU A 93 4.902 0.162 10.333 1.00 0.00 H new ATOM 0 HD23 LEU A 93 3.947 -0.655 11.593 1.00 0.00 H new ATOM 1494 N LYS A 94 5.366 -5.649 11.123 1.00 0.00 N ATOM 1495 CA LYS A 94 4.808 -6.881 10.583 1.00 0.00 C ATOM 1496 C LYS A 94 3.466 -6.602 9.923 1.00 0.00 C ATOM 1497 O LYS A 94 2.602 -5.950 10.509 1.00 0.00 O ATOM 1498 CB LYS A 94 4.626 -7.896 11.706 1.00 0.00 C ATOM 1499 CG LYS A 94 5.988 -8.224 12.321 1.00 0.00 C ATOM 1500 CD LYS A 94 6.231 -9.733 12.263 1.00 0.00 C ATOM 1501 CE LYS A 94 5.168 -10.459 13.090 1.00 0.00 C ATOM 1502 NZ LYS A 94 5.834 -11.372 14.063 1.00 0.00 N ATOM 0 H LYS A 94 5.127 -5.468 12.098 1.00 0.00 H new ATOM 0 HA LYS A 94 5.493 -7.284 9.837 1.00 0.00 H new ATOM 0 HB2 LYS A 94 3.958 -7.495 12.468 1.00 0.00 H new ATOM 0 HB3 LYS A 94 4.161 -8.803 11.319 1.00 0.00 H new ATOM 0 HG2 LYS A 94 6.777 -7.698 11.783 1.00 0.00 H new ATOM 0 HG3 LYS A 94 6.023 -7.880 13.355 1.00 0.00 H new ATOM 0 HD2 LYS A 94 6.199 -10.077 11.229 1.00 0.00 H new ATOM 0 HD3 LYS A 94 7.225 -9.966 12.645 1.00 0.00 H new ATOM 0 HE2 LYS A 94 4.547 -9.736 13.619 1.00 0.00 H new ATOM 0 HE3 LYS A 94 4.508 -11.027 12.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 5.112 -11.866 14.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 6.408 -12.069 13.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 6.447 -10.818 14.695 1.00 0.00 H new ATOM 1516 N THR A 95 3.301 -7.095 8.701 1.00 0.00 N ATOM 1517 CA THR A 95 2.059 -6.887 7.970 1.00 0.00 C ATOM 1518 C THR A 95 1.252 -8.175 7.883 1.00 0.00 C ATOM 1519 O THR A 95 1.775 -9.267 8.095 1.00 0.00 O ATOM 1520 CB THR A 95 2.356 -6.368 6.563 1.00 0.00 C ATOM 1521 OG1 THR A 95 2.523 -7.467 5.679 1.00 0.00 O ATOM 1522 CG2 THR A 95 3.632 -5.526 6.582 1.00 0.00 C ATOM 0 H THR A 95 4.005 -7.637 8.200 1.00 0.00 H new ATOM 0 HA THR A 95 1.470 -6.147 8.512 1.00 0.00 H new ATOM 0 HB THR A 95 1.525 -5.751 6.223 1.00 0.00 H new ATOM 0 HG1 THR A 95 3.012 -7.174 4.882 1.00 0.00 H new ATOM 0 HG21 THR A 95 3.840 -5.158 5.577 1.00 0.00 H new ATOM 0 HG22 THR A 95 3.500 -4.681 7.258 1.00 0.00 H new ATOM 0 HG23 THR A 95 4.467 -6.138 6.924 1.00 0.00 H new ATOM 1530 N THR A 96 -0.031 -8.031 7.576 1.00 0.00 N ATOM 1531 CA THR A 96 -0.916 -9.181 7.466 1.00 0.00 C ATOM 1532 C THR A 96 -0.430 -10.131 6.372 1.00 0.00 C ATOM 1533 O THR A 96 -0.670 -11.337 6.435 1.00 0.00 O ATOM 1534 CB THR A 96 -2.351 -8.715 7.163 1.00 0.00 C ATOM 1535 OG1 THR A 96 -3.270 -9.584 7.812 1.00 0.00 O ATOM 1536 CG2 THR A 96 -2.601 -8.743 5.658 1.00 0.00 C ATOM 0 H THR A 96 -0.480 -7.132 7.400 1.00 0.00 H new ATOM 0 HA THR A 96 -0.909 -9.716 8.416 1.00 0.00 H new ATOM 0 HB THR A 96 -2.485 -7.696 7.527 1.00 0.00 H new ATOM 0 HG1 THR A 96 -4.186 -9.291 7.624 1.00 0.00 H new ATOM 0 HG21 THR A 96 -3.619 -8.412 5.452 1.00 0.00 H new ATOM 0 HG22 THR A 96 -1.895 -8.078 5.160 1.00 0.00 H new ATOM 0 HG23 THR A 96 -2.468 -9.759 5.286 1.00 0.00 H new ATOM 1544 N GLN A 97 0.244 -9.579 5.367 1.00 0.00 N ATOM 1545 CA GLN A 97 0.744 -10.385 4.261 1.00 0.00 C ATOM 1546 C GLN A 97 1.576 -11.553 4.786 1.00 0.00 C ATOM 1547 O GLN A 97 1.671 -12.595 4.137 1.00 0.00 O ATOM 1548 CB GLN A 97 1.608 -9.514 3.344 1.00 0.00 C ATOM 1549 CG GLN A 97 2.244 -10.382 2.255 1.00 0.00 C ATOM 1550 CD GLN A 97 3.696 -10.684 2.613 1.00 0.00 C ATOM 1551 OE1 GLN A 97 4.601 -9.960 2.198 1.00 0.00 O ATOM 1552 NE2 GLN A 97 3.973 -11.715 3.363 1.00 0.00 N ATOM 0 H GLN A 97 0.455 -8.583 5.297 1.00 0.00 H new ATOM 0 HA GLN A 97 -0.104 -10.781 3.702 1.00 0.00 H new ATOM 0 HB2 GLN A 97 0.999 -8.732 2.890 1.00 0.00 H new ATOM 0 HB3 GLN A 97 2.384 -9.016 3.925 1.00 0.00 H new ATOM 0 HG2 GLN A 97 1.686 -11.312 2.147 1.00 0.00 H new ATOM 0 HG3 GLN A 97 2.196 -9.869 1.295 1.00 0.00 H new ATOM 0 HE21 GLN A 97 3.221 -12.313 3.706 1.00 0.00 H new ATOM 0 HE22 GLN A 97 4.941 -11.923 3.607 1.00 0.00 H new ATOM 1561 N GLY A 98 2.163 -11.377 5.969 1.00 0.00 N ATOM 1562 CA GLY A 98 2.974 -12.428 6.579 1.00 0.00 C ATOM 1563 C GLY A 98 4.437 -12.013 6.660 1.00 0.00 C ATOM 1564 O GLY A 98 5.232 -12.644 7.355 1.00 0.00 O ATOM 0 H GLY A 98 2.093 -10.522 6.521 1.00 0.00 H new ATOM 0 HA2 GLY A 98 2.599 -12.647 7.579 1.00 0.00 H new ATOM 0 HA3 GLY A 98 2.884 -13.345 5.997 1.00 0.00 H new ATOM 1568 N SER A 99 4.783 -10.947 5.944 1.00 0.00 N ATOM 1569 CA SER A 99 6.156 -10.454 5.941 1.00 0.00 C ATOM 1570 C SER A 99 6.264 -9.167 6.749 1.00 0.00 C ATOM 1571 O SER A 99 5.319 -8.774 7.435 1.00 0.00 O ATOM 1572 CB SER A 99 6.616 -10.198 4.506 1.00 0.00 C ATOM 1573 OG SER A 99 6.523 -11.404 3.760 1.00 0.00 O ATOM 0 H SER A 99 4.137 -10.412 5.363 1.00 0.00 H new ATOM 0 HA SER A 99 6.795 -11.211 6.397 1.00 0.00 H new ATOM 0 HB2 SER A 99 6.000 -9.425 4.047 1.00 0.00 H new ATOM 0 HB3 SER A 99 7.643 -9.832 4.501 1.00 0.00 H new ATOM 0 HG SER A 99 7.368 -11.896 3.826 1.00 0.00 H new ATOM 1579 N LYS A 100 7.422 -8.517 6.662 1.00 0.00 N ATOM 1580 CA LYS A 100 7.650 -7.273 7.388 1.00 0.00 C ATOM 1581 C LYS A 100 8.063 -6.161 6.431 1.00 0.00 C ATOM 1582 O LYS A 100 8.581 -6.424 5.346 1.00 0.00 O ATOM 1583 CB LYS A 100 8.745 -7.471 8.440 1.00 0.00 C ATOM 1584 CG LYS A 100 9.882 -8.299 7.840 1.00 0.00 C ATOM 1585 CD LYS A 100 11.004 -8.448 8.869 1.00 0.00 C ATOM 1586 CE LYS A 100 12.143 -9.273 8.265 1.00 0.00 C ATOM 1587 NZ LYS A 100 13.243 -9.406 9.262 1.00 0.00 N ATOM 0 H LYS A 100 8.213 -8.830 6.099 1.00 0.00 H new ATOM 0 HA LYS A 100 6.720 -6.990 7.880 1.00 0.00 H new ATOM 0 HB2 LYS A 100 9.122 -6.505 8.775 1.00 0.00 H new ATOM 0 HB3 LYS A 100 8.336 -7.975 9.316 1.00 0.00 H new ATOM 0 HG2 LYS A 100 9.513 -9.281 7.544 1.00 0.00 H new ATOM 0 HG3 LYS A 100 10.262 -7.816 6.940 1.00 0.00 H new ATOM 0 HD2 LYS A 100 11.371 -7.466 9.168 1.00 0.00 H new ATOM 0 HD3 LYS A 100 10.625 -8.934 9.768 1.00 0.00 H new ATOM 0 HE2 LYS A 100 11.779 -10.259 7.976 1.00 0.00 H new ATOM 0 HE3 LYS A 100 12.514 -8.792 7.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 14.017 -9.967 8.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 13.597 -8.462 9.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 12.884 -9.883 10.114 1.00 0.00 H new ATOM 1601 N ILE A 101 7.829 -4.920 6.848 1.00 0.00 N ATOM 1602 CA ILE A 101 8.179 -3.764 6.030 1.00 0.00 C ATOM 1603 C ILE A 101 9.061 -2.800 6.822 1.00 0.00 C ATOM 1604 O ILE A 101 8.849 -2.586 8.018 1.00 0.00 O ATOM 1605 CB ILE A 101 6.902 -3.056 5.562 1.00 0.00 C ATOM 1606 CG1 ILE A 101 7.269 -1.925 4.594 1.00 0.00 C ATOM 1607 CG2 ILE A 101 6.164 -2.481 6.773 1.00 0.00 C ATOM 1608 CD1 ILE A 101 6.001 -1.347 3.948 1.00 0.00 C ATOM 0 H ILE A 101 7.400 -4.690 7.744 1.00 0.00 H new ATOM 0 HA ILE A 101 8.738 -4.103 5.157 1.00 0.00 H new ATOM 0 HB ILE A 101 6.255 -3.770 5.052 1.00 0.00 H new ATOM 0 HG12 ILE A 101 7.805 -1.140 5.127 1.00 0.00 H new ATOM 0 HG13 ILE A 101 7.940 -2.301 3.822 1.00 0.00 H new ATOM 0 HG21 ILE A 101 5.256 -1.978 6.441 1.00 0.00 H new ATOM 0 HG22 ILE A 101 5.902 -3.289 7.456 1.00 0.00 H new ATOM 0 HG23 ILE A 101 6.808 -1.767 7.286 1.00 0.00 H new ATOM 0 HD11 ILE A 101 6.275 -0.545 3.263 1.00 0.00 H new ATOM 0 HD12 ILE A 101 5.482 -2.132 3.398 1.00 0.00 H new ATOM 0 HD13 ILE A 101 5.345 -0.953 4.724 1.00 0.00 H new ATOM 1620 N PHE A 102 10.059 -2.232 6.150 1.00 0.00 N ATOM 1621 CA PHE A 102 10.980 -1.301 6.794 1.00 0.00 C ATOM 1622 C PHE A 102 10.539 0.138 6.560 1.00 0.00 C ATOM 1623 O PHE A 102 10.516 0.608 5.422 1.00 0.00 O ATOM 1624 CB PHE A 102 12.391 -1.494 6.232 1.00 0.00 C ATOM 1625 CG PHE A 102 12.532 -2.899 5.704 1.00 0.00 C ATOM 1626 CD1 PHE A 102 13.127 -3.125 4.458 1.00 0.00 C ATOM 1627 CD2 PHE A 102 12.070 -3.978 6.464 1.00 0.00 C ATOM 1628 CE1 PHE A 102 13.260 -4.430 3.971 1.00 0.00 C ATOM 1629 CE2 PHE A 102 12.201 -5.283 5.980 1.00 0.00 C ATOM 1630 CZ PHE A 102 12.798 -5.510 4.733 1.00 0.00 C ATOM 0 H PHE A 102 10.250 -2.400 5.162 1.00 0.00 H new ATOM 0 HA PHE A 102 10.979 -1.502 7.865 1.00 0.00 H new ATOM 0 HB2 PHE A 102 12.579 -0.774 5.436 1.00 0.00 H new ATOM 0 HB3 PHE A 102 13.132 -1.310 7.010 1.00 0.00 H new ATOM 0 HD1 PHE A 102 13.484 -2.291 3.872 1.00 0.00 H new ATOM 0 HD2 PHE A 102 11.611 -3.803 7.426 1.00 0.00 H new ATOM 0 HE1 PHE A 102 13.718 -4.604 3.009 1.00 0.00 H new ATOM 0 HE2 PHE A 102 11.842 -6.116 6.567 1.00 0.00 H new ATOM 0 HZ PHE A 102 12.902 -6.518 4.360 1.00 0.00 H new ATOM 1640 N LEU A 103 10.193 0.830 7.640 1.00 0.00 N ATOM 1641 CA LEU A 103 9.752 2.218 7.538 1.00 0.00 C ATOM 1642 C LEU A 103 10.811 3.152 8.107 1.00 0.00 C ATOM 1643 O LEU A 103 11.624 2.748 8.938 1.00 0.00 O ATOM 1644 CB LEU A 103 8.445 2.411 8.314 1.00 0.00 C ATOM 1645 CG LEU A 103 7.237 2.319 7.373 1.00 0.00 C ATOM 1646 CD1 LEU A 103 7.157 3.565 6.486 1.00 0.00 C ATOM 1647 CD2 LEU A 103 7.348 1.067 6.501 1.00 0.00 C ATOM 0 H LEU A 103 10.209 0.457 8.589 1.00 0.00 H new ATOM 0 HA LEU A 103 9.592 2.452 6.486 1.00 0.00 H new ATOM 0 HB2 LEU A 103 8.364 1.653 9.093 1.00 0.00 H new ATOM 0 HB3 LEU A 103 8.452 3.381 8.812 1.00 0.00 H new ATOM 0 HG LEU A 103 6.330 2.257 7.974 1.00 0.00 H new ATOM 0 HD11 LEU A 103 6.295 3.485 5.824 1.00 0.00 H new ATOM 0 HD12 LEU A 103 7.053 4.451 7.112 1.00 0.00 H new ATOM 0 HD13 LEU A 103 8.066 3.646 5.890 1.00 0.00 H new ATOM 0 HD21 LEU A 103 6.486 1.009 5.836 1.00 0.00 H new ATOM 0 HD22 LEU A 103 8.261 1.116 5.908 1.00 0.00 H new ATOM 0 HD23 LEU A 103 7.375 0.182 7.137 1.00 0.00 H new ATOM 1659 N LYS A 104 10.794 4.401 7.657 1.00 0.00 N ATOM 1660 CA LYS A 104 11.760 5.378 8.133 1.00 0.00 C ATOM 1661 C LYS A 104 11.305 6.793 7.792 1.00 0.00 C ATOM 1662 O LYS A 104 10.812 7.053 6.696 1.00 0.00 O ATOM 1663 CB LYS A 104 13.120 5.106 7.494 1.00 0.00 C ATOM 1664 CG LYS A 104 14.018 6.330 7.659 1.00 0.00 C ATOM 1665 CD LYS A 104 15.481 5.888 7.669 1.00 0.00 C ATOM 1666 CE LYS A 104 15.796 5.128 6.379 1.00 0.00 C ATOM 1667 NZ LYS A 104 17.272 5.104 6.168 1.00 0.00 N ATOM 0 H LYS A 104 10.129 4.757 6.970 1.00 0.00 H new ATOM 0 HA LYS A 104 11.841 5.291 9.217 1.00 0.00 H new ATOM 0 HB2 LYS A 104 13.584 4.237 7.959 1.00 0.00 H new ATOM 0 HB3 LYS A 104 12.996 4.873 6.436 1.00 0.00 H new ATOM 0 HG2 LYS A 104 13.845 7.034 6.845 1.00 0.00 H new ATOM 0 HG3 LYS A 104 13.777 6.849 8.587 1.00 0.00 H new ATOM 0 HD2 LYS A 104 16.133 6.757 7.760 1.00 0.00 H new ATOM 0 HD3 LYS A 104 15.674 5.253 8.534 1.00 0.00 H new ATOM 0 HE2 LYS A 104 15.409 4.111 6.439 1.00 0.00 H new ATOM 0 HE3 LYS A 104 15.304 5.606 5.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 17.489 4.588 5.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 17.628 6.078 6.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 17.730 4.629 6.972 1.00 0.00 H new ATOM 1681 N GLU A 105 11.475 7.705 8.744 1.00 0.00 N ATOM 1682 CA GLU A 105 11.083 9.096 8.539 1.00 0.00 C ATOM 1683 C GLU A 105 12.275 10.019 8.763 1.00 0.00 C ATOM 1684 O GLU A 105 12.928 9.968 9.805 1.00 0.00 O ATOM 1685 CB GLU A 105 9.953 9.468 9.500 1.00 0.00 C ATOM 1686 CG GLU A 105 9.760 10.986 9.497 1.00 0.00 C ATOM 1687 CD GLU A 105 8.401 11.340 10.092 1.00 0.00 C ATOM 1688 OE1 GLU A 105 8.330 11.501 11.299 1.00 0.00 O ATOM 1689 OE2 GLU A 105 7.453 11.445 9.332 1.00 0.00 O ATOM 0 H GLU A 105 11.879 7.508 9.660 1.00 0.00 H new ATOM 0 HA GLU A 105 10.734 9.213 7.513 1.00 0.00 H new ATOM 0 HB2 GLU A 105 9.029 8.973 9.201 1.00 0.00 H new ATOM 0 HB3 GLU A 105 10.189 9.123 10.507 1.00 0.00 H new ATOM 0 HG2 GLU A 105 10.553 11.463 10.072 1.00 0.00 H new ATOM 0 HG3 GLU A 105 9.831 11.368 8.479 1.00 0.00 H new ATOM 1696 N VAL A 106 12.554 10.859 7.774 1.00 0.00 N ATOM 1697 CA VAL A 106 13.673 11.791 7.865 1.00 0.00 C ATOM 1698 C VAL A 106 13.288 13.151 7.298 1.00 0.00 C ATOM 1699 O VAL A 106 12.575 13.237 6.298 1.00 0.00 O ATOM 1700 CB VAL A 106 14.875 11.240 7.101 1.00 0.00 C ATOM 1701 CG1 VAL A 106 15.890 12.361 6.872 1.00 0.00 C ATOM 1702 CG2 VAL A 106 15.524 10.123 7.918 1.00 0.00 C ATOM 0 H VAL A 106 12.025 10.915 6.904 1.00 0.00 H new ATOM 0 HA VAL A 106 13.935 11.911 8.916 1.00 0.00 H new ATOM 0 HB VAL A 106 14.548 10.846 6.139 1.00 0.00 H new ATOM 0 HG11 VAL A 106 16.748 11.969 6.327 1.00 0.00 H new ATOM 0 HG12 VAL A 106 15.426 13.159 6.293 1.00 0.00 H new ATOM 0 HG13 VAL A 106 16.220 12.755 7.833 1.00 0.00 H new ATOM 0 HG21 VAL A 106 16.383 9.727 7.376 1.00 0.00 H new ATOM 0 HG22 VAL A 106 15.853 10.519 8.879 1.00 0.00 H new ATOM 0 HG23 VAL A 106 14.800 9.325 8.083 1.00 0.00 H new ATOM 1712 N ASN A 107 13.764 14.212 7.941 1.00 0.00 N ATOM 1713 CA ASN A 107 13.462 15.564 7.488 1.00 0.00 C ATOM 1714 C ASN A 107 11.965 15.730 7.249 1.00 0.00 C ATOM 1715 O ASN A 107 11.548 16.410 6.312 1.00 0.00 O ATOM 1716 CB ASN A 107 14.222 15.865 6.196 1.00 0.00 C ATOM 1717 CG ASN A 107 15.705 16.060 6.494 1.00 0.00 C ATOM 1718 OD1 ASN A 107 16.120 15.993 7.652 1.00 0.00 O ATOM 1719 ND2 ASN A 107 16.533 16.298 5.514 1.00 0.00 N ATOM 0 H ASN A 107 14.356 14.163 8.770 1.00 0.00 H new ATOM 0 HA ASN A 107 13.774 16.263 8.264 1.00 0.00 H new ATOM 0 HB2 ASN A 107 14.090 15.047 5.488 1.00 0.00 H new ATOM 0 HB3 ASN A 107 13.816 16.761 5.727 1.00 0.00 H new ATOM 0 HD21 ASN A 107 17.526 16.429 5.706 1.00 0.00 H new ATOM 0 HD22 ASN A 107 16.187 16.353 4.556 1.00 0.00 H new ATOM 1726 N ASP A 108 11.162 15.103 8.102 1.00 0.00 N ATOM 1727 CA ASP A 108 9.712 15.187 7.973 1.00 0.00 C ATOM 1728 C ASP A 108 9.250 14.552 6.665 1.00 0.00 C ATOM 1729 O ASP A 108 8.165 14.856 6.168 1.00 0.00 O ATOM 1730 CB ASP A 108 9.268 16.651 8.019 1.00 0.00 C ATOM 1731 CG ASP A 108 7.810 16.741 8.457 1.00 0.00 C ATOM 1732 OD1 ASP A 108 6.950 16.723 7.591 1.00 0.00 O ATOM 1733 OD2 ASP A 108 7.575 16.828 9.651 1.00 0.00 O ATOM 0 H ASP A 108 11.487 14.535 8.884 1.00 0.00 H new ATOM 0 HA ASP A 108 9.261 14.644 8.804 1.00 0.00 H new ATOM 0 HB2 ASP A 108 9.899 17.209 8.711 1.00 0.00 H new ATOM 0 HB3 ASP A 108 9.390 17.108 7.037 1.00 0.00 H new ATOM 1738 N THR A 109 10.080 13.667 6.114 1.00 0.00 N ATOM 1739 CA THR A 109 9.749 12.991 4.865 1.00 0.00 C ATOM 1740 C THR A 109 9.548 11.502 5.098 1.00 0.00 C ATOM 1741 O THR A 109 10.380 10.847 5.727 1.00 0.00 O ATOM 1742 CB THR A 109 10.873 13.171 3.846 1.00 0.00 C ATOM 1743 OG1 THR A 109 11.360 14.506 3.906 1.00 0.00 O ATOM 1744 CG2 THR A 109 10.334 12.878 2.443 1.00 0.00 C ATOM 0 H THR A 109 10.982 13.404 6.512 1.00 0.00 H new ATOM 0 HA THR A 109 8.828 13.432 4.485 1.00 0.00 H new ATOM 0 HB THR A 109 11.688 12.483 4.072 1.00 0.00 H new ATOM 0 HG1 THR A 109 11.946 14.606 4.685 1.00 0.00 H new ATOM 0 HG21 THR A 109 11.133 13.005 1.712 1.00 0.00 H new ATOM 0 HG22 THR A 109 9.964 11.853 2.402 1.00 0.00 H new ATOM 0 HG23 THR A 109 9.520 13.567 2.215 1.00 0.00 H new ATOM 1752 N LEU A 110 8.451 10.965 4.578 1.00 0.00 N ATOM 1753 CA LEU A 110 8.171 9.552 4.728 1.00 0.00 C ATOM 1754 C LEU A 110 9.067 8.735 3.805 1.00 0.00 C ATOM 1755 O LEU A 110 8.953 8.822 2.580 1.00 0.00 O ATOM 1756 CB LEU A 110 6.718 9.286 4.377 1.00 0.00 C ATOM 1757 CG LEU A 110 6.103 8.322 5.390 1.00 0.00 C ATOM 1758 CD1 LEU A 110 4.662 8.030 4.976 1.00 0.00 C ATOM 1759 CD2 LEU A 110 6.912 7.020 5.432 1.00 0.00 C ATOM 0 H LEU A 110 7.749 11.486 4.053 1.00 0.00 H new ATOM 0 HA LEU A 110 8.364 9.262 5.761 1.00 0.00 H new ATOM 0 HB2 LEU A 110 6.160 10.222 4.369 1.00 0.00 H new ATOM 0 HB3 LEU A 110 6.649 8.865 3.374 1.00 0.00 H new ATOM 0 HG LEU A 110 6.118 8.770 6.383 1.00 0.00 H new ATOM 0 HD11 LEU A 110 4.210 7.342 5.691 1.00 0.00 H new ATOM 0 HD12 LEU A 110 4.093 8.960 4.957 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.653 7.579 3.984 1.00 0.00 H new ATOM 0 HD21 LEU A 110 6.467 6.338 6.157 1.00 0.00 H new ATOM 0 HD22 LEU A 110 6.906 6.556 4.446 1.00 0.00 H new ATOM 0 HD23 LEU A 110 7.939 7.239 5.723 1.00 0.00 H new ATOM 1771 N LEU A 111 9.951 7.944 4.400 1.00 0.00 N ATOM 1772 CA LEU A 111 10.863 7.112 3.628 1.00 0.00 C ATOM 1773 C LEU A 111 10.695 5.644 4.000 1.00 0.00 C ATOM 1774 O LEU A 111 10.736 5.280 5.176 1.00 0.00 O ATOM 1775 CB LEU A 111 12.299 7.558 3.876 1.00 0.00 C ATOM 1776 CG LEU A 111 12.556 8.812 3.048 1.00 0.00 C ATOM 1777 CD1 LEU A 111 13.515 9.740 3.761 1.00 0.00 C ATOM 1778 CD2 LEU A 111 13.169 8.410 1.718 1.00 0.00 C ATOM 0 H LEU A 111 10.055 7.862 5.411 1.00 0.00 H new ATOM 0 HA LEU A 111 10.631 7.224 2.569 1.00 0.00 H new ATOM 0 HB2 LEU A 111 12.456 7.762 4.935 1.00 0.00 H new ATOM 0 HB3 LEU A 111 12.996 6.768 3.597 1.00 0.00 H new ATOM 0 HG LEU A 111 11.608 9.329 2.897 1.00 0.00 H new ATOM 0 HD11 LEU A 111 13.683 10.628 3.151 1.00 0.00 H new ATOM 0 HD12 LEU A 111 13.091 10.034 4.721 1.00 0.00 H new ATOM 0 HD13 LEU A 111 14.463 9.228 3.925 1.00 0.00 H new ATOM 0 HD21 LEU A 111 13.356 9.301 1.119 1.00 0.00 H new ATOM 0 HD22 LEU A 111 14.109 7.887 1.894 1.00 0.00 H new ATOM 0 HD23 LEU A 111 12.482 7.752 1.185 1.00 0.00 H new ATOM 1790 N VAL A 112 10.509 4.805 2.991 1.00 0.00 N ATOM 1791 CA VAL A 112 10.338 3.371 3.222 1.00 0.00 C ATOM 1792 C VAL A 112 11.455 2.597 2.529 1.00 0.00 C ATOM 1793 O VAL A 112 11.828 2.914 1.401 1.00 0.00 O ATOM 1794 CB VAL A 112 8.978 2.897 2.693 1.00 0.00 C ATOM 1795 CG1 VAL A 112 8.608 3.677 1.428 1.00 0.00 C ATOM 1796 CG2 VAL A 112 9.050 1.398 2.372 1.00 0.00 C ATOM 0 H VAL A 112 10.472 5.086 2.011 1.00 0.00 H new ATOM 0 HA VAL A 112 10.380 3.187 4.296 1.00 0.00 H new ATOM 0 HB VAL A 112 8.216 3.072 3.453 1.00 0.00 H new ATOM 0 HG11 VAL A 112 7.641 3.334 1.059 1.00 0.00 H new ATOM 0 HG12 VAL A 112 8.552 4.741 1.660 1.00 0.00 H new ATOM 0 HG13 VAL A 112 9.367 3.512 0.664 1.00 0.00 H new ATOM 0 HG21 VAL A 112 8.084 1.060 1.996 1.00 0.00 H new ATOM 0 HG22 VAL A 112 9.815 1.224 1.615 1.00 0.00 H new ATOM 0 HG23 VAL A 112 9.302 0.844 3.276 1.00 0.00 H new ATOM 1806 N ASN A 113 11.977 1.581 3.207 1.00 0.00 N ATOM 1807 CA ASN A 113 13.049 0.766 2.641 1.00 0.00 C ATOM 1808 C ASN A 113 14.231 1.638 2.225 1.00 0.00 C ATOM 1809 O ASN A 113 15.233 1.722 2.935 1.00 0.00 O ATOM 1810 CB ASN A 113 12.530 -0.008 1.428 1.00 0.00 C ATOM 1811 CG ASN A 113 13.662 -0.814 0.799 1.00 0.00 C ATOM 1812 OD1 ASN A 113 14.437 -0.252 -0.087 1.00 0.00 O flip ATOM 1813 ND2 ASN A 113 13.842 -1.988 1.123 1.00 0.00 N flip ATOM 0 H ASN A 113 11.679 1.302 4.142 1.00 0.00 H new ATOM 0 HA ASN A 113 13.386 0.064 3.404 1.00 0.00 H new ATOM 0 HB2 ASN A 113 11.722 -0.675 1.730 1.00 0.00 H new ATOM 0 HB3 ASN A 113 12.115 0.684 0.695 1.00 0.00 H new ATOM 0 HD21 ASN A 113 13.234 -2.425 1.816 1.00 0.00 H new ATOM 0 HD22 ASN A 113 14.599 -2.524 0.698 1.00 0.00 H new ATOM 1820 N GLU A 114 14.108 2.284 1.071 1.00 0.00 N ATOM 1821 CA GLU A 114 15.170 3.146 0.569 1.00 0.00 C ATOM 1822 C GLU A 114 14.661 3.989 -0.595 1.00 0.00 C ATOM 1823 O GLU A 114 15.302 4.066 -1.643 1.00 0.00 O ATOM 1824 CB GLU A 114 16.354 2.296 0.105 1.00 0.00 C ATOM 1825 CG GLU A 114 17.575 3.193 -0.098 1.00 0.00 C ATOM 1826 CD GLU A 114 18.448 3.170 1.151 1.00 0.00 C ATOM 1827 OE1 GLU A 114 19.622 2.863 1.024 1.00 0.00 O ATOM 1828 OE2 GLU A 114 17.931 3.461 2.217 1.00 0.00 O ATOM 0 H GLU A 114 13.287 2.227 0.468 1.00 0.00 H new ATOM 0 HA GLU A 114 15.491 3.808 1.373 1.00 0.00 H new ATOM 0 HB2 GLU A 114 16.574 1.525 0.844 1.00 0.00 H new ATOM 0 HB3 GLU A 114 16.106 1.785 -0.825 1.00 0.00 H new ATOM 0 HG2 GLU A 114 18.149 2.852 -0.960 1.00 0.00 H new ATOM 0 HG3 GLU A 114 17.256 4.213 -0.311 1.00 0.00 H new ATOM 1835 N LEU A 115 13.502 4.610 -0.404 1.00 0.00 N ATOM 1836 CA LEU A 115 12.909 5.437 -1.447 1.00 0.00 C ATOM 1837 C LEU A 115 11.904 6.414 -0.836 1.00 0.00 C ATOM 1838 O LEU A 115 11.286 6.122 0.188 1.00 0.00 O ATOM 1839 CB LEU A 115 12.232 4.534 -2.485 1.00 0.00 C ATOM 1840 CG LEU A 115 10.774 4.269 -2.088 1.00 0.00 C ATOM 1841 CD1 LEU A 115 9.874 5.411 -2.584 1.00 0.00 C ATOM 1842 CD2 LEU A 115 10.314 2.949 -2.710 1.00 0.00 C ATOM 0 H LEU A 115 12.958 4.557 0.457 1.00 0.00 H new ATOM 0 HA LEU A 115 13.687 6.019 -1.940 1.00 0.00 H new ATOM 0 HB2 LEU A 115 12.269 5.006 -3.467 1.00 0.00 H new ATOM 0 HB3 LEU A 115 12.772 3.590 -2.564 1.00 0.00 H new ATOM 0 HG LEU A 115 10.704 4.210 -1.002 1.00 0.00 H new ATOM 0 HD11 LEU A 115 8.842 5.212 -2.296 1.00 0.00 H new ATOM 0 HD12 LEU A 115 10.200 6.351 -2.138 1.00 0.00 H new ATOM 0 HD13 LEU A 115 9.941 5.482 -3.670 1.00 0.00 H new ATOM 0 HD21 LEU A 115 9.278 2.757 -2.430 1.00 0.00 H new ATOM 0 HD22 LEU A 115 10.391 3.012 -3.795 1.00 0.00 H new ATOM 0 HD23 LEU A 115 10.944 2.137 -2.348 1.00 0.00 H new ATOM 1854 N LYS A 116 11.745 7.572 -1.473 1.00 0.00 N ATOM 1855 CA LYS A 116 10.819 8.596 -0.987 1.00 0.00 C ATOM 1856 C LYS A 116 9.382 8.300 -1.401 1.00 0.00 C ATOM 1857 O LYS A 116 9.101 8.050 -2.571 1.00 0.00 O ATOM 1858 CB LYS A 116 11.208 9.953 -1.557 1.00 0.00 C ATOM 1859 CG LYS A 116 11.076 11.019 -0.466 1.00 0.00 C ATOM 1860 CD LYS A 116 10.965 12.403 -1.103 1.00 0.00 C ATOM 1861 CE LYS A 116 12.232 12.708 -1.902 1.00 0.00 C ATOM 1862 NZ LYS A 116 12.024 12.311 -3.323 1.00 0.00 N ATOM 0 H LYS A 116 12.244 7.826 -2.326 1.00 0.00 H new ATOM 0 HA LYS A 116 10.880 8.599 0.101 1.00 0.00 H new ATOM 0 HB2 LYS A 116 12.232 9.923 -1.930 1.00 0.00 H new ATOM 0 HB3 LYS A 116 10.568 10.202 -2.403 1.00 0.00 H new ATOM 0 HG2 LYS A 116 10.196 10.819 0.146 1.00 0.00 H new ATOM 0 HG3 LYS A 116 11.940 10.982 0.197 1.00 0.00 H new ATOM 0 HD2 LYS A 116 10.093 12.444 -1.756 1.00 0.00 H new ATOM 0 HD3 LYS A 116 10.820 13.158 -0.331 1.00 0.00 H new ATOM 0 HE2 LYS A 116 12.468 13.770 -1.840 1.00 0.00 H new ATOM 0 HE3 LYS A 116 13.080 12.168 -1.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 12.456 11.380 -3.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 11.005 12.261 -3.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 12.466 13.015 -3.948 1.00 0.00 H new ATOM 1876 N SER A 117 8.468 8.353 -0.441 1.00 0.00 N ATOM 1877 CA SER A 117 7.061 8.100 -0.742 1.00 0.00 C ATOM 1878 C SER A 117 6.486 9.210 -1.613 1.00 0.00 C ATOM 1879 O SER A 117 7.051 10.300 -1.705 1.00 0.00 O ATOM 1880 CB SER A 117 6.244 8.007 0.545 1.00 0.00 C ATOM 1881 OG SER A 117 6.138 9.299 1.128 1.00 0.00 O ATOM 0 H SER A 117 8.668 8.565 0.537 1.00 0.00 H new ATOM 0 HA SER A 117 7.004 7.153 -1.279 1.00 0.00 H new ATOM 0 HB2 SER A 117 5.252 7.609 0.332 1.00 0.00 H new ATOM 0 HB3 SER A 117 6.720 7.318 1.243 1.00 0.00 H new ATOM 0 HG SER A 117 5.293 9.367 1.620 1.00 0.00 H new ATOM 1887 N LYS A 118 5.352 8.927 -2.244 1.00 0.00 N ATOM 1888 CA LYS A 118 4.702 9.912 -3.094 1.00 0.00 C ATOM 1889 C LYS A 118 3.703 10.730 -2.289 1.00 0.00 C ATOM 1890 O LYS A 118 3.587 11.940 -2.482 1.00 0.00 O ATOM 1891 CB LYS A 118 3.972 9.219 -4.247 1.00 0.00 C ATOM 1892 CG LYS A 118 4.935 9.011 -5.417 1.00 0.00 C ATOM 1893 CD LYS A 118 5.038 10.295 -6.242 1.00 0.00 C ATOM 1894 CE LYS A 118 6.484 10.481 -6.703 1.00 0.00 C ATOM 1895 NZ LYS A 118 6.547 11.567 -7.722 1.00 0.00 N ATOM 0 H LYS A 118 4.869 8.031 -2.183 1.00 0.00 H new ATOM 0 HA LYS A 118 5.469 10.574 -3.496 1.00 0.00 H new ATOM 0 HB2 LYS A 118 3.576 8.259 -3.915 1.00 0.00 H new ATOM 0 HB3 LYS A 118 3.122 9.822 -4.566 1.00 0.00 H new ATOM 0 HG2 LYS A 118 5.919 8.729 -5.043 1.00 0.00 H new ATOM 0 HG3 LYS A 118 4.586 8.192 -6.045 1.00 0.00 H new ATOM 0 HD2 LYS A 118 4.373 10.242 -7.104 1.00 0.00 H new ATOM 0 HD3 LYS A 118 4.721 11.151 -5.646 1.00 0.00 H new ATOM 0 HE2 LYS A 118 7.119 10.729 -5.852 1.00 0.00 H new ATOM 0 HE3 LYS A 118 6.865 9.551 -7.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 7.531 11.693 -8.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 5.954 11.313 -8.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 6.200 12.455 -7.305 1.00 0.00 H new ATOM 1909 N GLU A 119 2.982 10.062 -1.386 1.00 0.00 N ATOM 1910 CA GLU A 119 1.983 10.747 -0.560 1.00 0.00 C ATOM 1911 C GLU A 119 1.337 9.783 0.425 1.00 0.00 C ATOM 1912 O GLU A 119 0.894 8.702 0.048 1.00 0.00 O ATOM 1913 CB GLU A 119 0.882 11.352 -1.438 1.00 0.00 C ATOM 1914 CG GLU A 119 0.288 12.581 -0.746 1.00 0.00 C ATOM 1915 CD GLU A 119 1.067 13.832 -1.138 1.00 0.00 C ATOM 1916 OE1 GLU A 119 0.464 14.727 -1.705 1.00 0.00 O ATOM 1917 OE2 GLU A 119 2.255 13.877 -0.863 1.00 0.00 O ATOM 0 H GLU A 119 3.068 9.061 -1.209 1.00 0.00 H new ATOM 0 HA GLU A 119 2.499 11.536 -0.013 1.00 0.00 H new ATOM 0 HB2 GLU A 119 1.290 11.631 -2.409 1.00 0.00 H new ATOM 0 HB3 GLU A 119 0.102 10.613 -1.621 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -0.760 12.694 -1.025 1.00 0.00 H new ATOM 0 HG3 GLU A 119 0.318 12.449 0.336 1.00 0.00 H new ATOM 1924 N SER A 120 1.281 10.186 1.684 1.00 0.00 N ATOM 1925 CA SER A 120 0.685 9.356 2.714 1.00 0.00 C ATOM 1926 C SER A 120 0.087 10.230 3.813 1.00 0.00 C ATOM 1927 O SER A 120 0.105 11.456 3.720 1.00 0.00 O ATOM 1928 CB SER A 120 1.752 8.453 3.310 1.00 0.00 C ATOM 1929 OG SER A 120 1.141 7.508 4.178 1.00 0.00 O ATOM 0 H SER A 120 1.641 11.081 2.015 1.00 0.00 H new ATOM 0 HA SER A 120 -0.107 8.751 2.272 1.00 0.00 H new ATOM 0 HB2 SER A 120 2.292 7.937 2.516 1.00 0.00 H new ATOM 0 HB3 SER A 120 2.482 9.048 3.859 1.00 0.00 H new ATOM 0 HG SER A 120 0.269 7.247 3.815 1.00 0.00 H new ATOM 1935 N ASP A 121 -0.437 9.586 4.848 1.00 0.00 N ATOM 1936 CA ASP A 121 -1.039 10.309 5.970 1.00 0.00 C ATOM 1937 C ASP A 121 -2.281 11.069 5.527 1.00 0.00 C ATOM 1938 O ASP A 121 -2.846 11.854 6.289 1.00 0.00 O ATOM 1939 CB ASP A 121 -0.039 11.295 6.584 1.00 0.00 C ATOM 1940 CG ASP A 121 1.316 10.628 6.791 1.00 0.00 C ATOM 1941 OD1 ASP A 121 1.881 10.163 5.820 1.00 0.00 O ATOM 1942 OD2 ASP A 121 1.773 10.602 7.924 1.00 0.00 O ATOM 0 H ASP A 121 -0.459 8.570 4.938 1.00 0.00 H new ATOM 0 HA ASP A 121 -1.321 9.569 6.719 1.00 0.00 H new ATOM 0 HB2 ASP A 121 0.072 12.161 5.932 1.00 0.00 H new ATOM 0 HB3 ASP A 121 -0.420 11.660 7.538 1.00 0.00 H new ATOM 1947 N ILE A 122 -2.711 10.824 4.296 1.00 0.00 N ATOM 1948 CA ILE A 122 -3.896 11.482 3.767 1.00 0.00 C ATOM 1949 C ILE A 122 -5.014 11.466 4.801 1.00 0.00 C ATOM 1950 O ILE A 122 -5.906 12.312 4.780 1.00 0.00 O ATOM 1951 CB ILE A 122 -4.336 10.761 2.495 1.00 0.00 C ATOM 1952 CG1 ILE A 122 -3.538 11.298 1.304 1.00 0.00 C ATOM 1953 CG2 ILE A 122 -5.827 10.980 2.260 1.00 0.00 C ATOM 1954 CD1 ILE A 122 -2.053 11.038 1.525 1.00 0.00 C ATOM 0 H ILE A 122 -2.259 10.178 3.649 1.00 0.00 H new ATOM 0 HA ILE A 122 -3.665 12.521 3.534 1.00 0.00 H new ATOM 0 HB ILE A 122 -4.150 9.693 2.604 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -3.869 10.816 0.384 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -3.717 12.367 1.186 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -6.132 10.462 1.351 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -6.390 10.588 3.107 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -6.026 12.046 2.154 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -1.486 11.421 0.676 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -1.727 11.541 2.435 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -1.882 9.966 1.622 1.00 0.00 H new ATOM 1966 N MET A 123 -4.960 10.495 5.701 1.00 0.00 N ATOM 1967 CA MET A 123 -5.969 10.366 6.740 1.00 0.00 C ATOM 1968 C MET A 123 -7.344 10.150 6.127 1.00 0.00 C ATOM 1969 O MET A 123 -7.854 11.009 5.407 1.00 0.00 O ATOM 1970 CB MET A 123 -5.984 11.620 7.617 1.00 0.00 C ATOM 1971 CG MET A 123 -5.517 11.270 9.028 1.00 0.00 C ATOM 1972 SD MET A 123 -6.832 10.357 9.877 1.00 0.00 S ATOM 1973 CE MET A 123 -5.878 8.878 10.294 1.00 0.00 C ATOM 0 H MET A 123 -4.228 9.785 5.732 1.00 0.00 H new ATOM 0 HA MET A 123 -5.721 9.501 7.355 1.00 0.00 H new ATOM 0 HB2 MET A 123 -5.334 12.383 7.188 1.00 0.00 H new ATOM 0 HB3 MET A 123 -6.989 12.040 7.650 1.00 0.00 H new ATOM 0 HG2 MET A 123 -4.609 10.669 8.985 1.00 0.00 H new ATOM 0 HG3 MET A 123 -5.273 12.178 9.580 1.00 0.00 H new ATOM 0 HE1 MET A 123 -6.467 8.238 10.951 1.00 0.00 H new ATOM 0 HE2 MET A 123 -5.633 8.334 9.382 1.00 0.00 H new ATOM 0 HE3 MET A 123 -4.958 9.169 10.801 1.00 0.00 H new ATOM 1983 N THR A 124 -7.938 8.995 6.419 1.00 0.00 N ATOM 1984 CA THR A 124 -9.263 8.669 5.891 1.00 0.00 C ATOM 1985 C THR A 124 -10.264 8.490 7.027 1.00 0.00 C ATOM 1986 O THR A 124 -9.924 8.646 8.199 1.00 0.00 O ATOM 1987 CB THR A 124 -9.204 7.384 5.061 1.00 0.00 C ATOM 1988 OG1 THR A 124 -9.040 6.270 5.926 1.00 0.00 O ATOM 1989 CG2 THR A 124 -8.029 7.454 4.088 1.00 0.00 C ATOM 0 H THR A 124 -7.528 8.274 7.013 1.00 0.00 H new ATOM 0 HA THR A 124 -9.586 9.494 5.257 1.00 0.00 H new ATOM 0 HB THR A 124 -10.131 7.274 4.498 1.00 0.00 H new ATOM 0 HG1 THR A 124 -9.600 5.529 5.615 1.00 0.00 H new ATOM 0 HG21 THR A 124 -7.990 6.538 3.499 1.00 0.00 H new ATOM 0 HG22 THR A 124 -8.158 8.308 3.423 1.00 0.00 H new ATOM 0 HG23 THR A 124 -7.100 7.566 4.647 1.00 0.00 H new ATOM 1997 N THR A 125 -11.502 8.167 6.667 1.00 0.00 N ATOM 1998 CA THR A 125 -12.552 7.975 7.662 1.00 0.00 C ATOM 1999 C THR A 125 -12.554 6.539 8.179 1.00 0.00 C ATOM 2000 O THR A 125 -13.317 6.199 9.082 1.00 0.00 O ATOM 2001 CB THR A 125 -13.917 8.300 7.047 1.00 0.00 C ATOM 2002 OG1 THR A 125 -14.218 7.347 6.037 1.00 0.00 O ATOM 2003 CG2 THR A 125 -13.888 9.703 6.436 1.00 0.00 C ATOM 0 H THR A 125 -11.802 8.033 5.701 1.00 0.00 H new ATOM 0 HA THR A 125 -12.358 8.646 8.499 1.00 0.00 H new ATOM 0 HB THR A 125 -14.682 8.263 7.823 1.00 0.00 H new ATOM 0 HG1 THR A 125 -14.827 7.746 5.381 1.00 0.00 H new ATOM 0 HG21 THR A 125 -14.861 9.930 6.000 1.00 0.00 H new ATOM 0 HG22 THR A 125 -13.659 10.433 7.212 1.00 0.00 H new ATOM 0 HG23 THR A 125 -13.123 9.746 5.660 1.00 0.00 H new ATOM 2011 N ASN A 126 -11.698 5.704 7.599 1.00 0.00 N ATOM 2012 CA ASN A 126 -11.605 4.301 8.004 1.00 0.00 C ATOM 2013 C ASN A 126 -10.172 3.941 8.376 1.00 0.00 C ATOM 2014 O ASN A 126 -9.906 2.843 8.861 1.00 0.00 O ATOM 2015 CB ASN A 126 -12.075 3.401 6.859 1.00 0.00 C ATOM 2016 CG ASN A 126 -11.990 4.155 5.538 1.00 0.00 C ATOM 2017 OD1 ASN A 126 -11.001 4.840 5.276 1.00 0.00 O ATOM 2018 ND2 ASN A 126 -12.972 4.070 4.684 1.00 0.00 N ATOM 0 H ASN A 126 -11.060 5.971 6.849 1.00 0.00 H new ATOM 0 HA ASN A 126 -12.241 4.151 8.876 1.00 0.00 H new ATOM 0 HB2 ASN A 126 -11.459 2.502 6.815 1.00 0.00 H new ATOM 0 HB3 ASN A 126 -13.100 3.077 7.037 1.00 0.00 H new ATOM 0 HD21 ASN A 126 -12.922 4.571 3.797 1.00 0.00 H new ATOM 0 HD22 ASN A 126 -13.790 3.502 4.903 1.00 0.00 H new ATOM 2025 N GLY A 127 -9.251 4.870 8.147 1.00 0.00 N ATOM 2026 CA GLY A 127 -7.849 4.632 8.465 1.00 0.00 C ATOM 2027 C GLY A 127 -6.946 5.629 7.747 1.00 0.00 C ATOM 2028 O GLY A 127 -7.338 6.769 7.506 1.00 0.00 O ATOM 0 H GLY A 127 -9.447 5.787 7.746 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -7.699 4.711 9.542 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -7.575 3.617 8.178 1.00 0.00 H new ATOM 2032 N VAL A 128 -5.735 5.189 7.414 1.00 0.00 N ATOM 2033 CA VAL A 128 -4.775 6.048 6.725 1.00 0.00 C ATOM 2034 C VAL A 128 -4.387 5.447 5.386 1.00 0.00 C ATOM 2035 O VAL A 128 -4.676 4.282 5.110 1.00 0.00 O ATOM 2036 CB VAL A 128 -3.522 6.225 7.583 1.00 0.00 C ATOM 2037 CG1 VAL A 128 -2.589 5.031 7.375 1.00 0.00 C ATOM 2038 CG2 VAL A 128 -2.790 7.509 7.184 1.00 0.00 C ATOM 0 H VAL A 128 -5.396 4.247 7.609 1.00 0.00 H new ATOM 0 HA VAL A 128 -5.242 7.018 6.556 1.00 0.00 H new ATOM 0 HB VAL A 128 -3.816 6.288 8.631 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -1.695 5.157 7.986 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -3.101 4.114 7.665 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -2.304 4.970 6.325 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -1.899 7.626 7.801 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -2.500 7.452 6.135 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -3.449 8.365 7.332 1.00 0.00 H new ATOM 2048 N ILE A 129 -3.732 6.251 4.556 1.00 0.00 N ATOM 2049 CA ILE A 129 -3.308 5.792 3.245 1.00 0.00 C ATOM 2050 C ILE A 129 -1.844 6.137 3.000 1.00 0.00 C ATOM 2051 O ILE A 129 -1.338 7.157 3.486 1.00 0.00 O ATOM 2052 CB ILE A 129 -4.180 6.435 2.162 1.00 0.00 C ATOM 2053 CG1 ILE A 129 -5.512 5.687 2.059 1.00 0.00 C ATOM 2054 CG2 ILE A 129 -3.462 6.382 0.810 1.00 0.00 C ATOM 2055 CD1 ILE A 129 -6.484 6.507 1.207 1.00 0.00 C ATOM 0 H ILE A 129 -3.486 7.218 4.769 1.00 0.00 H new ATOM 0 HA ILE A 129 -3.420 4.708 3.206 1.00 0.00 H new ATOM 0 HB ILE A 129 -4.365 7.475 2.430 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -5.358 4.705 1.613 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -5.929 5.524 3.053 1.00 0.00 H new ATOM 0 HG21 ILE A 129 -4.090 6.841 0.046 1.00 0.00 H new ATOM 0 HG22 ILE A 129 -2.518 6.923 0.878 1.00 0.00 H new ATOM 0 HG23 ILE A 129 -3.266 5.344 0.542 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -7.435 5.979 1.130 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -6.645 7.479 1.673 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -6.065 6.647 0.211 1.00 0.00 H new ATOM 2067 N HIS A 130 -1.166 5.278 2.239 1.00 0.00 N ATOM 2068 CA HIS A 130 0.238 5.498 1.918 1.00 0.00 C ATOM 2069 C HIS A 130 0.497 5.194 0.446 1.00 0.00 C ATOM 2070 O HIS A 130 0.362 4.053 0.008 1.00 0.00 O ATOM 2071 CB HIS A 130 1.128 4.624 2.798 1.00 0.00 C ATOM 2072 CG HIS A 130 2.570 4.957 2.530 1.00 0.00 C ATOM 2073 ND1 HIS A 130 3.318 4.917 1.383 1.00 0.00 N flip ATOM 2074 CD2 HIS A 130 3.429 5.400 3.524 1.00 0.00 C flip ATOM 2075 CE1 HIS A 130 4.618 5.325 1.654 1.00 0.00 C flip ATOM 2076 NE2 HIS A 130 4.634 5.603 2.953 1.00 0.00 N flip ATOM 0 H HIS A 130 -1.566 4.430 1.837 1.00 0.00 H new ATOM 0 HA HIS A 130 0.477 6.544 2.109 1.00 0.00 H new ATOM 0 HB2 HIS A 130 0.894 4.789 3.850 1.00 0.00 H new ATOM 0 HB3 HIS A 130 0.941 3.570 2.591 1.00 0.00 H new ATOM 0 HD1 HIS A 130 2.972 4.631 0.467 1.00 0.00 H new ATOM 0 HD2 HIS A 130 3.179 5.554 4.563 1.00 0.00 H new ATOM 0 HE1 HIS A 130 5.440 5.400 0.958 1.00 0.00 H new ATOM 2085 N VAL A 131 0.875 6.225 -0.307 1.00 0.00 N ATOM 2086 CA VAL A 131 1.150 6.068 -1.733 1.00 0.00 C ATOM 2087 C VAL A 131 2.650 6.078 -2.019 1.00 0.00 C ATOM 2088 O VAL A 131 3.360 7.012 -1.631 1.00 0.00 O ATOM 2089 CB VAL A 131 0.497 7.203 -2.524 1.00 0.00 C ATOM 2090 CG1 VAL A 131 0.608 6.908 -4.021 1.00 0.00 C ATOM 2091 CG2 VAL A 131 -0.978 7.324 -2.130 1.00 0.00 C ATOM 0 H VAL A 131 0.997 7.174 0.045 1.00 0.00 H new ATOM 0 HA VAL A 131 0.738 5.106 -2.038 1.00 0.00 H new ATOM 0 HB VAL A 131 1.005 8.141 -2.300 1.00 0.00 H new ATOM 0 HG11 VAL A 131 0.143 7.716 -4.586 1.00 0.00 H new ATOM 0 HG12 VAL A 131 1.659 6.828 -4.299 1.00 0.00 H new ATOM 0 HG13 VAL A 131 0.101 5.970 -4.245 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -1.440 8.133 -2.695 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -1.491 6.388 -2.350 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -1.053 7.537 -1.064 1.00 0.00 H new ATOM 2101 N VAL A 132 3.115 5.041 -2.718 1.00 0.00 N ATOM 2102 CA VAL A 132 4.533 4.932 -3.080 1.00 0.00 C ATOM 2103 C VAL A 132 4.698 4.837 -4.594 1.00 0.00 C ATOM 2104 O VAL A 132 3.718 4.811 -5.334 1.00 0.00 O ATOM 2105 CB VAL A 132 5.169 3.697 -2.429 1.00 0.00 C ATOM 2106 CG1 VAL A 132 5.242 3.876 -0.916 1.00 0.00 C ATOM 2107 CG2 VAL A 132 4.332 2.457 -2.749 1.00 0.00 C ATOM 0 H VAL A 132 2.536 4.268 -3.044 1.00 0.00 H new ATOM 0 HA VAL A 132 5.035 5.829 -2.717 1.00 0.00 H new ATOM 0 HB VAL A 132 6.177 3.574 -2.824 1.00 0.00 H new ATOM 0 HG11 VAL A 132 5.695 2.992 -0.467 1.00 0.00 H new ATOM 0 HG12 VAL A 132 5.846 4.753 -0.682 1.00 0.00 H new ATOM 0 HG13 VAL A 132 4.237 4.011 -0.517 1.00 0.00 H new ATOM 0 HG21 VAL A 132 4.787 1.582 -2.285 1.00 0.00 H new ATOM 0 HG22 VAL A 132 3.322 2.590 -2.361 1.00 0.00 H new ATOM 0 HG23 VAL A 132 4.290 2.315 -3.829 1.00 0.00 H new ATOM 2117 N ASP A 133 5.951 4.789 -5.043 1.00 0.00 N ATOM 2118 CA ASP A 133 6.247 4.694 -6.471 1.00 0.00 C ATOM 2119 C ASP A 133 7.136 3.487 -6.754 1.00 0.00 C ATOM 2120 O ASP A 133 8.077 3.566 -7.544 1.00 0.00 O ATOM 2121 CB ASP A 133 6.947 5.968 -6.944 1.00 0.00 C ATOM 2122 CG ASP A 133 8.320 6.082 -6.293 1.00 0.00 C ATOM 2123 OD1 ASP A 133 9.302 5.861 -6.983 1.00 0.00 O ATOM 2124 OD2 ASP A 133 8.371 6.390 -5.115 1.00 0.00 O ATOM 0 H ASP A 133 6.774 4.814 -4.441 1.00 0.00 H new ATOM 0 HA ASP A 133 5.308 4.574 -7.011 1.00 0.00 H new ATOM 0 HB2 ASP A 133 7.050 5.954 -8.029 1.00 0.00 H new ATOM 0 HB3 ASP A 133 6.343 6.839 -6.692 1.00 0.00 H new ATOM 2129 N LYS A 134 6.827 2.367 -6.106 1.00 0.00 N ATOM 2130 CA LYS A 134 7.601 1.149 -6.300 1.00 0.00 C ATOM 2131 C LYS A 134 6.891 -0.045 -5.674 1.00 0.00 C ATOM 2132 O LYS A 134 5.958 0.118 -4.889 1.00 0.00 O ATOM 2133 CB LYS A 134 8.988 1.304 -5.672 1.00 0.00 C ATOM 2134 CG LYS A 134 10.055 0.856 -6.676 1.00 0.00 C ATOM 2135 CD LYS A 134 11.413 0.734 -5.974 1.00 0.00 C ATOM 2136 CE LYS A 134 11.389 -0.409 -4.954 1.00 0.00 C ATOM 2137 NZ LYS A 134 12.716 -1.088 -4.949 1.00 0.00 N ATOM 0 H LYS A 134 6.053 2.279 -5.448 1.00 0.00 H new ATOM 0 HA LYS A 134 7.703 0.976 -7.371 1.00 0.00 H new ATOM 0 HB2 LYS A 134 9.156 2.342 -5.386 1.00 0.00 H new ATOM 0 HB3 LYS A 134 9.056 0.708 -4.762 1.00 0.00 H new ATOM 0 HG2 LYS A 134 9.775 -0.102 -7.114 1.00 0.00 H new ATOM 0 HG3 LYS A 134 10.122 1.574 -7.494 1.00 0.00 H new ATOM 0 HD2 LYS A 134 12.195 0.555 -6.711 1.00 0.00 H new ATOM 0 HD3 LYS A 134 11.656 1.671 -5.473 1.00 0.00 H new ATOM 0 HE2 LYS A 134 11.161 -0.022 -3.961 1.00 0.00 H new ATOM 0 HE3 LYS A 134 10.603 -1.121 -5.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 12.706 -1.865 -4.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 12.914 -1.469 -5.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 13.455 -0.404 -4.689 1.00 0.00 H new ATOM 2151 N LEU A 135 7.341 -1.246 -6.025 1.00 0.00 N ATOM 2152 CA LEU A 135 6.740 -2.463 -5.490 1.00 0.00 C ATOM 2153 C LEU A 135 7.637 -3.086 -4.428 1.00 0.00 C ATOM 2154 O LEU A 135 8.810 -3.363 -4.676 1.00 0.00 O ATOM 2155 CB LEU A 135 6.516 -3.476 -6.615 1.00 0.00 C ATOM 2156 CG LEU A 135 5.331 -4.382 -6.261 1.00 0.00 C ATOM 2157 CD1 LEU A 135 4.029 -3.703 -6.675 1.00 0.00 C ATOM 2158 CD2 LEU A 135 5.454 -5.716 -7.001 1.00 0.00 C ATOM 0 H LEU A 135 8.114 -1.402 -6.672 1.00 0.00 H new ATOM 0 HA LEU A 135 5.784 -2.198 -5.037 1.00 0.00 H new ATOM 0 HB2 LEU A 135 6.322 -2.956 -7.553 1.00 0.00 H new ATOM 0 HB3 LEU A 135 7.414 -4.076 -6.763 1.00 0.00 H new ATOM 0 HG LEU A 135 5.331 -4.561 -5.186 1.00 0.00 H new ATOM 0 HD11 LEU A 135 3.187 -4.347 -6.423 1.00 0.00 H new ATOM 0 HD12 LEU A 135 3.930 -2.754 -6.148 1.00 0.00 H new ATOM 0 HD13 LEU A 135 4.039 -3.522 -7.750 1.00 0.00 H new ATOM 0 HD21 LEU A 135 4.608 -6.354 -6.744 1.00 0.00 H new ATOM 0 HD22 LEU A 135 5.460 -5.537 -8.076 1.00 0.00 H new ATOM 0 HD23 LEU A 135 6.382 -6.209 -6.711 1.00 0.00 H new ATOM 2170 N LEU A 136 7.074 -3.312 -3.245 1.00 0.00 N ATOM 2171 CA LEU A 136 7.833 -3.912 -2.153 1.00 0.00 C ATOM 2172 C LEU A 136 7.463 -5.385 -1.995 1.00 0.00 C ATOM 2173 O LEU A 136 6.376 -5.713 -1.519 1.00 0.00 O ATOM 2174 CB LEU A 136 7.548 -3.177 -0.842 1.00 0.00 C ATOM 2175 CG LEU A 136 7.557 -1.670 -1.090 1.00 0.00 C ATOM 2176 CD1 LEU A 136 7.375 -0.934 0.237 1.00 0.00 C ATOM 2177 CD2 LEU A 136 8.894 -1.266 -1.720 1.00 0.00 C ATOM 0 H LEU A 136 6.104 -3.091 -3.019 1.00 0.00 H new ATOM 0 HA LEU A 136 8.894 -3.830 -2.390 1.00 0.00 H new ATOM 0 HB2 LEU A 136 6.581 -3.485 -0.443 1.00 0.00 H new ATOM 0 HB3 LEU A 136 8.299 -3.438 -0.096 1.00 0.00 H new ATOM 0 HG LEU A 136 6.743 -1.407 -1.765 1.00 0.00 H new ATOM 0 HD11 LEU A 136 7.381 0.142 0.060 1.00 0.00 H new ATOM 0 HD12 LEU A 136 6.424 -1.222 0.686 1.00 0.00 H new ATOM 0 HD13 LEU A 136 8.189 -1.196 0.913 1.00 0.00 H new ATOM 0 HD21 LEU A 136 8.902 -0.191 -1.898 1.00 0.00 H new ATOM 0 HD22 LEU A 136 9.708 -1.528 -1.045 1.00 0.00 H new ATOM 0 HD23 LEU A 136 9.024 -1.791 -2.666 1.00 0.00 H new ATOM 2189 N TYR A 137 8.377 -6.266 -2.396 1.00 0.00 N ATOM 2190 CA TYR A 137 8.138 -7.705 -2.293 1.00 0.00 C ATOM 2191 C TYR A 137 8.989 -8.313 -1.178 1.00 0.00 C ATOM 2192 O TYR A 137 10.033 -7.767 -0.821 1.00 0.00 O ATOM 2193 CB TYR A 137 8.483 -8.397 -3.614 1.00 0.00 C ATOM 2194 CG TYR A 137 9.278 -7.455 -4.485 1.00 0.00 C ATOM 2195 CD1 TYR A 137 8.814 -7.123 -5.762 1.00 0.00 C ATOM 2196 CD2 TYR A 137 10.476 -6.904 -4.011 1.00 0.00 C ATOM 2197 CE1 TYR A 137 9.542 -6.241 -6.564 1.00 0.00 C ATOM 2198 CE2 TYR A 137 11.207 -6.023 -4.814 1.00 0.00 C ATOM 2199 CZ TYR A 137 10.740 -5.690 -6.091 1.00 0.00 C ATOM 2200 OH TYR A 137 11.458 -4.817 -6.882 1.00 0.00 O ATOM 0 H TYR A 137 9.282 -6.013 -2.792 1.00 0.00 H new ATOM 0 HA TYR A 137 7.083 -7.855 -2.065 1.00 0.00 H new ATOM 0 HB2 TYR A 137 9.057 -9.304 -3.422 1.00 0.00 H new ATOM 0 HB3 TYR A 137 7.570 -8.700 -4.127 1.00 0.00 H new ATOM 0 HD1 TYR A 137 7.892 -7.549 -6.128 1.00 0.00 H new ATOM 0 HD2 TYR A 137 10.835 -7.160 -3.025 1.00 0.00 H new ATOM 0 HE1 TYR A 137 9.181 -5.984 -7.549 1.00 0.00 H new ATOM 0 HE2 TYR A 137 12.131 -5.600 -4.449 1.00 0.00 H new ATOM 0 HH TYR A 137 12.262 -4.527 -6.403 1.00 0.00 H new ATOM 2210 N PRO A 138 8.575 -9.435 -0.633 1.00 0.00 N ATOM 2211 CA PRO A 138 9.332 -10.128 0.452 1.00 0.00 C ATOM 2212 C PRO A 138 10.591 -10.804 -0.051 1.00 0.00 C ATOM 2213 O PRO A 138 10.528 -11.685 -0.910 1.00 0.00 O ATOM 2214 CB PRO A 138 8.378 -11.195 0.952 1.00 0.00 C ATOM 2215 CG PRO A 138 7.432 -11.456 -0.172 1.00 0.00 C ATOM 2216 CD PRO A 138 7.341 -10.162 -0.980 1.00 0.00 C ATOM 0 HA PRO A 138 9.650 -9.413 1.211 1.00 0.00 H new ATOM 0 HB2 PRO A 138 8.916 -12.102 1.228 1.00 0.00 H new ATOM 0 HB3 PRO A 138 7.845 -10.857 1.841 1.00 0.00 H new ATOM 0 HG2 PRO A 138 7.788 -12.277 -0.795 1.00 0.00 H new ATOM 0 HG3 PRO A 138 6.452 -11.745 0.207 1.00 0.00 H new ATOM 0 HD2 PRO A 138 7.284 -10.363 -2.050 1.00 0.00 H new ATOM 0 HD3 PRO A 138 6.453 -9.588 -0.716 1.00 0.00 H new ATOM 2224 N ALA A 139 11.732 -10.402 0.492 1.00 0.00 N ATOM 2225 CA ALA A 139 13.002 -10.987 0.087 1.00 0.00 C ATOM 2226 C ALA A 139 14.162 -10.106 0.535 1.00 0.00 C ATOM 2227 O ALA A 139 14.783 -10.354 1.569 1.00 0.00 O ATOM 2228 CB ALA A 139 13.031 -11.147 -1.431 1.00 0.00 C ATOM 0 H ALA A 139 11.804 -9.679 1.208 1.00 0.00 H new ATOM 0 HA ALA A 139 13.105 -11.964 0.558 1.00 0.00 H new ATOM 0 HB1 ALA A 139 13.982 -11.585 -1.733 1.00 0.00 H new ATOM 0 HB2 ALA A 139 12.216 -11.799 -1.744 1.00 0.00 H new ATOM 0 HB3 ALA A 139 12.916 -10.171 -1.902 1.00 0.00 H new ATOM 2234 N ASP A 140 14.441 -9.078 -0.253 1.00 0.00 N ATOM 2235 CA ASP A 140 15.523 -8.149 0.058 1.00 0.00 C ATOM 2236 C ASP A 140 15.044 -6.708 -0.074 1.00 0.00 C ATOM 2237 O ASP A 140 14.432 -6.335 -1.076 1.00 0.00 O ATOM 2238 CB ASP A 140 16.707 -8.382 -0.887 1.00 0.00 C ATOM 2239 CG ASP A 140 16.262 -8.215 -2.336 1.00 0.00 C ATOM 2240 OD1 ASP A 140 16.959 -7.539 -3.076 1.00 0.00 O ATOM 2241 OD2 ASP A 140 15.232 -8.767 -2.687 1.00 0.00 O ATOM 0 H ASP A 140 13.935 -8.864 -1.112 1.00 0.00 H new ATOM 0 HA ASP A 140 15.841 -8.325 1.086 1.00 0.00 H new ATOM 0 HB2 ASP A 140 17.507 -7.677 -0.661 1.00 0.00 H new ATOM 0 HB3 ASP A 140 17.112 -9.383 -0.736 1.00 0.00 H new TER 2246 ASP A 140