USER MOD reduce.3.24.130724 H: found=0, std=0, add=781, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 779 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 54 TYR OH : rot 80:sc= 0.325 USER MOD Set 1.2: A 95 GLN : amide:sc= -0.641 K(o=-0.32,f=-1.9) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -157:sc= -0.0463 (180deg=-0.32) USER MOD Single : A 14 LYS NZ :NH3+ -165:sc=-0.00368 (180deg=-0.11) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc=-0.00666 USER MOD Single : A 21 ASN : amide:sc= -0.348 K(o=-0.35,f=-2.1!) USER MOD Single : A 22 ASN : amide:sc= -0.0577 X(o=-0.058,f=0.33) USER MOD Single : A 24 HIS : no HD1:sc= -5.19! C(o=-5.2!,f=-8.6!) USER MOD Single : A 26 ASN :FLIP amide:sc= -0.168 F(o=-1.4,f=-0.17) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.0408 X(o=-0.041,f=-0.041) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 HIS : no HE2:sc= -0.451 X(o=-0.45,f=-0.41) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.935 USER MOD Single : A 48 SER OG : rot 180:sc= -0.0667 USER MOD Single : A 49 LYS NZ :NH3+ 158:sc= -0.909 (180deg=-1.39) USER MOD Single : A 51 MET CE :methyl -140:sc= -1.19 (180deg=-5.15!) USER MOD Single : A 52 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.00534) USER MOD Single : A 55 CYS SG : rot -38:sc= -0.442 USER MOD Single : A 58 GLN : amide:sc= -1.14 K(o=-1.1,f=-1.6) USER MOD Single : A 61 SER OG : rot 178:sc= -0.646 USER MOD Single : A 62 MET CE :methyl -111:sc= -0.956 (180deg=-3!) USER MOD Single : A 64 GLN : amide:sc= -0.845 K(o=-0.84,f=-2.1) USER MOD Single : A 72 GLN :FLIP amide:sc= -3.35! C(o=-4.3!,f=-3.4!) USER MOD Single : A 75 ASN : amide:sc= -0.409 X(o=-0.41,f=0) USER MOD Single : A 77 THR OG1 : rot 180:sc=0.000385 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.00627 USER MOD Single : A 82 GLN : amide:sc= -0.473 K(o=-0.47,f=-4!) USER MOD Single : A 85 MET CE :methyl 154:sc= -3.23! (180deg=-5.85!) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 GLN : amide:sc= -2.47! C(o=-2.5!,f=-3.5!) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc=-0.00439 USER MOD Single : A 102 SER OG : rot 180:sc= -0.0183 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 32.774 16.133 -22.726 1.00 0.00 N ATOM 2 CA GLY A 1 32.932 14.939 -21.916 1.00 0.00 C ATOM 3 C GLY A 1 31.604 14.366 -21.464 1.00 0.00 C ATOM 4 O GLY A 1 30.804 15.057 -20.834 1.00 0.00 O ATOM 0 H1 GLY A 1 33.710 16.486 -23.010 1.00 0.00 H new ATOM 0 H2 GLY A 1 32.218 15.906 -23.575 1.00 0.00 H new ATOM 0 H3 GLY A 1 32.281 16.864 -22.174 1.00 0.00 H new ATOM 0 HA2 GLY A 1 33.474 14.185 -22.487 1.00 0.00 H new ATOM 0 HA3 GLY A 1 33.539 15.174 -21.042 1.00 0.00 H new ATOM 8 N SER A 2 31.368 13.098 -21.787 1.00 0.00 N ATOM 9 CA SER A 2 30.124 12.433 -21.415 1.00 0.00 C ATOM 10 C SER A 2 30.401 11.211 -20.544 1.00 0.00 C ATOM 11 O SER A 2 30.668 10.122 -21.051 1.00 0.00 O ATOM 12 CB SER A 2 29.350 12.017 -22.667 1.00 0.00 C ATOM 13 OG SER A 2 28.010 11.682 -22.349 1.00 0.00 O ATOM 0 H SER A 2 32.022 12.511 -22.305 1.00 0.00 H new ATOM 0 HA SER A 2 29.521 13.137 -20.841 1.00 0.00 H new ATOM 0 HB2 SER A 2 29.363 12.830 -23.393 1.00 0.00 H new ATOM 0 HB3 SER A 2 29.841 11.164 -23.135 1.00 0.00 H new ATOM 0 HG SER A 2 27.535 11.421 -23.166 1.00 0.00 H new ATOM 19 N SER A 3 30.336 11.402 -19.230 1.00 0.00 N ATOM 20 CA SER A 3 30.583 10.317 -18.287 1.00 0.00 C ATOM 21 C SER A 3 29.460 9.286 -18.339 1.00 0.00 C ATOM 22 O SER A 3 29.630 8.144 -17.914 1.00 0.00 O ATOM 23 CB SER A 3 30.719 10.869 -16.867 1.00 0.00 C ATOM 24 OG SER A 3 29.544 11.557 -16.472 1.00 0.00 O ATOM 0 H SER A 3 30.115 12.297 -18.794 1.00 0.00 H new ATOM 0 HA SER A 3 31.515 9.828 -18.570 1.00 0.00 H new ATOM 0 HB2 SER A 3 30.916 10.052 -16.173 1.00 0.00 H new ATOM 0 HB3 SER A 3 31.574 11.544 -16.816 1.00 0.00 H new ATOM 0 HG SER A 3 29.656 11.899 -15.560 1.00 0.00 H new ATOM 30 N GLY A 4 28.310 9.698 -18.864 1.00 0.00 N ATOM 31 CA GLY A 4 27.175 8.799 -18.962 1.00 0.00 C ATOM 32 C GLY A 4 26.716 8.598 -20.393 1.00 0.00 C ATOM 33 O GLY A 4 26.020 9.445 -20.954 1.00 0.00 O ATOM 0 H GLY A 4 28.144 10.638 -19.223 1.00 0.00 H new ATOM 0 HA2 GLY A 4 27.441 7.834 -18.530 1.00 0.00 H new ATOM 0 HA3 GLY A 4 26.349 9.196 -18.371 1.00 0.00 H new ATOM 37 N SER A 5 27.109 7.476 -20.986 1.00 0.00 N ATOM 38 CA SER A 5 26.738 7.169 -22.363 1.00 0.00 C ATOM 39 C SER A 5 25.248 6.858 -22.468 1.00 0.00 C ATOM 40 O SER A 5 24.486 7.615 -23.068 1.00 0.00 O ATOM 41 CB SER A 5 27.556 5.984 -22.881 1.00 0.00 C ATOM 42 OG SER A 5 28.944 6.268 -22.846 1.00 0.00 O ATOM 0 H SER A 5 27.684 6.764 -20.535 1.00 0.00 H new ATOM 0 HA SER A 5 26.952 8.045 -22.975 1.00 0.00 H new ATOM 0 HB2 SER A 5 27.347 5.102 -22.276 1.00 0.00 H new ATOM 0 HB3 SER A 5 27.255 5.749 -23.902 1.00 0.00 H new ATOM 0 HG SER A 5 29.445 5.495 -23.180 1.00 0.00 H new ATOM 48 N SER A 6 24.841 5.737 -21.880 1.00 0.00 N ATOM 49 CA SER A 6 23.444 5.323 -21.910 1.00 0.00 C ATOM 50 C SER A 6 22.999 4.811 -20.543 1.00 0.00 C ATOM 51 O SER A 6 23.806 4.683 -19.623 1.00 0.00 O ATOM 52 CB SER A 6 23.235 4.236 -22.967 1.00 0.00 C ATOM 53 OG SER A 6 23.616 4.694 -24.252 1.00 0.00 O ATOM 0 H SER A 6 25.459 5.100 -21.377 1.00 0.00 H new ATOM 0 HA SER A 6 22.839 6.192 -22.168 1.00 0.00 H new ATOM 0 HB2 SER A 6 23.818 3.353 -22.705 1.00 0.00 H new ATOM 0 HB3 SER A 6 22.188 3.934 -22.981 1.00 0.00 H new ATOM 0 HG SER A 6 23.474 3.981 -24.909 1.00 0.00 H new ATOM 59 N GLY A 7 21.708 4.520 -20.418 1.00 0.00 N ATOM 60 CA GLY A 7 21.177 4.026 -19.161 1.00 0.00 C ATOM 61 C GLY A 7 20.674 5.141 -18.266 1.00 0.00 C ATOM 62 O GLY A 7 20.921 5.138 -17.061 1.00 0.00 O ATOM 0 H GLY A 7 21.020 4.618 -21.165 1.00 0.00 H new ATOM 0 HA2 GLY A 7 20.362 3.331 -19.363 1.00 0.00 H new ATOM 0 HA3 GLY A 7 21.952 3.466 -18.638 1.00 0.00 H new ATOM 66 N MET A 8 19.968 6.099 -18.857 1.00 0.00 N ATOM 67 CA MET A 8 19.429 7.227 -18.105 1.00 0.00 C ATOM 68 C MET A 8 17.916 7.108 -17.957 1.00 0.00 C ATOM 69 O MET A 8 17.222 6.696 -18.886 1.00 0.00 O ATOM 70 CB MET A 8 19.784 8.545 -18.795 1.00 0.00 C ATOM 71 CG MET A 8 19.480 9.773 -17.953 1.00 0.00 C ATOM 72 SD MET A 8 20.653 9.996 -16.602 1.00 0.00 S ATOM 73 CE MET A 8 19.575 10.623 -15.317 1.00 0.00 C ATOM 0 H MET A 8 19.756 6.117 -19.854 1.00 0.00 H new ATOM 0 HA MET A 8 19.876 7.215 -17.111 1.00 0.00 H new ATOM 0 HB2 MET A 8 20.845 8.540 -19.046 1.00 0.00 H new ATOM 0 HB3 MET A 8 19.235 8.613 -19.734 1.00 0.00 H new ATOM 0 HG2 MET A 8 19.493 10.658 -18.590 1.00 0.00 H new ATOM 0 HG3 MET A 8 18.473 9.689 -17.545 1.00 0.00 H new ATOM 0 HE1 MET A 8 20.156 10.810 -14.414 1.00 0.00 H new ATOM 0 HE2 MET A 8 19.113 11.552 -15.651 1.00 0.00 H new ATOM 0 HE3 MET A 8 18.799 9.888 -15.103 1.00 0.00 H new ATOM 83 N ALA A 9 17.410 7.471 -16.783 1.00 0.00 N ATOM 84 CA ALA A 9 15.979 7.407 -16.514 1.00 0.00 C ATOM 85 C ALA A 9 15.356 8.799 -16.524 1.00 0.00 C ATOM 86 O ALA A 9 14.470 9.087 -17.329 1.00 0.00 O ATOM 87 CB ALA A 9 15.722 6.721 -15.181 1.00 0.00 C ATOM 0 H ALA A 9 17.971 7.813 -16.002 1.00 0.00 H new ATOM 0 HA ALA A 9 15.511 6.822 -17.306 1.00 0.00 H new ATOM 0 HB1 ALA A 9 14.649 6.681 -14.994 1.00 0.00 H new ATOM 0 HB2 ALA A 9 16.124 5.708 -15.210 1.00 0.00 H new ATOM 0 HB3 ALA A 9 16.209 7.282 -14.383 1.00 0.00 H new ATOM 93 N ASP A 10 15.823 9.657 -15.624 1.00 0.00 N ATOM 94 CA ASP A 10 15.312 11.020 -15.529 1.00 0.00 C ATOM 95 C ASP A 10 13.789 11.023 -15.432 1.00 0.00 C ATOM 96 O ASP A 10 13.119 11.834 -16.070 1.00 0.00 O ATOM 97 CB ASP A 10 15.759 11.841 -16.740 1.00 0.00 C ATOM 98 CG ASP A 10 15.648 13.333 -16.499 1.00 0.00 C ATOM 99 OD1 ASP A 10 14.826 13.738 -15.652 1.00 0.00 O ATOM 100 OD2 ASP A 10 16.384 14.097 -17.160 1.00 0.00 O ATOM 0 H ASP A 10 16.555 9.433 -14.950 1.00 0.00 H new ATOM 0 HA ASP A 10 15.718 11.472 -14.624 1.00 0.00 H new ATOM 0 HB2 ASP A 10 16.791 11.591 -16.984 1.00 0.00 H new ATOM 0 HB3 ASP A 10 15.152 11.569 -17.604 1.00 0.00 H new ATOM 105 N GLU A 11 13.251 10.110 -14.629 1.00 0.00 N ATOM 106 CA GLU A 11 11.807 10.007 -14.450 1.00 0.00 C ATOM 107 C GLU A 11 11.327 10.950 -13.351 1.00 0.00 C ATOM 108 O GLU A 11 10.455 10.601 -12.555 1.00 0.00 O ATOM 109 CB GLU A 11 11.414 8.568 -14.110 1.00 0.00 C ATOM 110 CG GLU A 11 11.331 7.657 -15.323 1.00 0.00 C ATOM 111 CD GLU A 11 10.891 6.250 -14.967 1.00 0.00 C ATOM 112 OE1 GLU A 11 11.385 5.712 -13.954 1.00 0.00 O ATOM 113 OE2 GLU A 11 10.052 5.688 -15.702 1.00 0.00 O ATOM 0 H GLU A 11 13.792 9.432 -14.093 1.00 0.00 H new ATOM 0 HA GLU A 11 11.329 10.295 -15.386 1.00 0.00 H new ATOM 0 HB2 GLU A 11 12.140 8.158 -13.408 1.00 0.00 H new ATOM 0 HB3 GLU A 11 10.449 8.574 -13.604 1.00 0.00 H new ATOM 0 HG2 GLU A 11 10.632 8.081 -16.044 1.00 0.00 H new ATOM 0 HG3 GLU A 11 12.305 7.617 -15.810 1.00 0.00 H new ATOM 120 N LYS A 12 11.902 12.147 -13.314 1.00 0.00 N ATOM 121 CA LYS A 12 11.534 13.143 -12.315 1.00 0.00 C ATOM 122 C LYS A 12 11.880 12.658 -10.911 1.00 0.00 C ATOM 123 O LYS A 12 11.071 12.733 -9.985 1.00 0.00 O ATOM 124 CB LYS A 12 10.038 13.456 -12.404 1.00 0.00 C ATOM 125 CG LYS A 12 9.602 14.602 -11.507 1.00 0.00 C ATOM 126 CD LYS A 12 9.622 15.928 -12.248 1.00 0.00 C ATOM 127 CE LYS A 12 10.945 16.654 -12.055 1.00 0.00 C ATOM 128 NZ LYS A 12 11.117 17.132 -10.655 1.00 0.00 N ATOM 0 H LYS A 12 12.626 12.451 -13.965 1.00 0.00 H new ATOM 0 HA LYS A 12 12.102 14.051 -12.517 1.00 0.00 H new ATOM 0 HB2 LYS A 12 9.787 13.698 -13.437 1.00 0.00 H new ATOM 0 HB3 LYS A 12 9.472 12.563 -12.139 1.00 0.00 H new ATOM 0 HG2 LYS A 12 8.597 14.409 -11.131 1.00 0.00 H new ATOM 0 HG3 LYS A 12 10.261 14.658 -10.641 1.00 0.00 H new ATOM 0 HD2 LYS A 12 9.452 15.755 -13.311 1.00 0.00 H new ATOM 0 HD3 LYS A 12 8.805 16.557 -11.893 1.00 0.00 H new ATOM 0 HE2 LYS A 12 11.767 15.986 -12.314 1.00 0.00 H new ATOM 0 HE3 LYS A 12 10.996 17.503 -12.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 11.792 17.923 -10.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 10.200 17.452 -10.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 11.478 16.356 -10.065 1.00 0.00 H new ATOM 142 N PRO A 13 13.110 12.150 -10.746 1.00 0.00 N ATOM 143 CA PRO A 13 13.592 11.645 -9.457 1.00 0.00 C ATOM 144 C PRO A 13 13.810 12.762 -8.442 1.00 0.00 C ATOM 145 O PRO A 13 14.711 13.588 -8.596 1.00 0.00 O ATOM 146 CB PRO A 13 14.923 10.978 -9.812 1.00 0.00 C ATOM 147 CG PRO A 13 15.376 11.672 -11.050 1.00 0.00 C ATOM 148 CD PRO A 13 14.126 12.030 -11.805 1.00 0.00 C ATOM 0 HA PRO A 13 12.874 10.972 -8.989 1.00 0.00 H new ATOM 0 HB2 PRO A 13 15.649 11.090 -9.007 1.00 0.00 H new ATOM 0 HB3 PRO A 13 14.797 9.909 -9.981 1.00 0.00 H new ATOM 0 HG2 PRO A 13 15.955 12.564 -10.808 1.00 0.00 H new ATOM 0 HG3 PRO A 13 16.020 11.026 -11.646 1.00 0.00 H new ATOM 0 HD2 PRO A 13 14.243 12.963 -12.357 1.00 0.00 H new ATOM 0 HD3 PRO A 13 13.861 11.261 -12.531 1.00 0.00 H new ATOM 156 N LYS A 14 12.982 12.783 -7.403 1.00 0.00 N ATOM 157 CA LYS A 14 13.085 13.797 -6.361 1.00 0.00 C ATOM 158 C LYS A 14 13.369 13.158 -5.006 1.00 0.00 C ATOM 159 O LYS A 14 13.177 11.956 -4.824 1.00 0.00 O ATOM 160 CB LYS A 14 11.795 14.617 -6.289 1.00 0.00 C ATOM 161 CG LYS A 14 10.615 13.847 -5.723 1.00 0.00 C ATOM 162 CD LYS A 14 9.839 13.132 -6.816 1.00 0.00 C ATOM 163 CE LYS A 14 8.779 14.035 -7.429 1.00 0.00 C ATOM 164 NZ LYS A 14 7.622 14.233 -6.512 1.00 0.00 N ATOM 0 H LYS A 14 12.231 12.108 -7.260 1.00 0.00 H new ATOM 0 HA LYS A 14 13.915 14.457 -6.613 1.00 0.00 H new ATOM 0 HB2 LYS A 14 11.970 15.500 -5.675 1.00 0.00 H new ATOM 0 HB3 LYS A 14 11.542 14.969 -7.289 1.00 0.00 H new ATOM 0 HG2 LYS A 14 10.970 13.120 -4.993 1.00 0.00 H new ATOM 0 HG3 LYS A 14 9.953 14.532 -5.194 1.00 0.00 H new ATOM 0 HD2 LYS A 14 10.527 12.797 -7.593 1.00 0.00 H new ATOM 0 HD3 LYS A 14 9.365 12.241 -6.404 1.00 0.00 H new ATOM 0 HE2 LYS A 14 9.221 15.002 -7.670 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.430 13.601 -8.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.822 14.631 -7.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.344 13.319 -6.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.891 14.887 -5.750 1.00 0.00 H new ATOM 178 N GLU A 15 13.827 13.969 -4.058 1.00 0.00 N ATOM 179 CA GLU A 15 14.136 13.481 -2.719 1.00 0.00 C ATOM 180 C GLU A 15 14.003 14.598 -1.688 1.00 0.00 C ATOM 181 O GLU A 15 13.864 15.769 -2.040 1.00 0.00 O ATOM 182 CB GLU A 15 15.551 12.901 -2.678 1.00 0.00 C ATOM 183 CG GLU A 15 15.751 11.859 -1.590 1.00 0.00 C ATOM 184 CD GLU A 15 16.903 10.919 -1.887 1.00 0.00 C ATOM 185 OE1 GLU A 15 18.056 11.272 -1.562 1.00 0.00 O ATOM 186 OE2 GLU A 15 16.652 9.830 -2.444 1.00 0.00 O ATOM 0 H GLU A 15 13.992 14.967 -4.192 1.00 0.00 H new ATOM 0 HA GLU A 15 13.421 12.696 -2.473 1.00 0.00 H new ATOM 0 HB2 GLU A 15 15.779 12.453 -3.645 1.00 0.00 H new ATOM 0 HB3 GLU A 15 16.263 13.713 -2.527 1.00 0.00 H new ATOM 0 HG2 GLU A 15 15.933 12.361 -0.640 1.00 0.00 H new ATOM 0 HG3 GLU A 15 14.835 11.280 -1.474 1.00 0.00 H new ATOM 193 N GLY A 16 14.045 14.227 -0.412 1.00 0.00 N ATOM 194 CA GLY A 16 13.927 15.208 0.651 1.00 0.00 C ATOM 195 C GLY A 16 12.488 15.598 0.923 1.00 0.00 C ATOM 196 O GLY A 16 12.098 16.747 0.714 1.00 0.00 O ATOM 0 H GLY A 16 14.159 13.264 -0.095 1.00 0.00 H new ATOM 0 HA2 GLY A 16 14.370 14.806 1.562 1.00 0.00 H new ATOM 0 HA3 GLY A 16 14.497 16.098 0.385 1.00 0.00 H new ATOM 200 N VAL A 17 11.695 14.638 1.389 1.00 0.00 N ATOM 201 CA VAL A 17 10.290 14.887 1.689 1.00 0.00 C ATOM 202 C VAL A 17 10.088 15.179 3.172 1.00 0.00 C ATOM 203 O VAL A 17 9.007 15.590 3.594 1.00 0.00 O ATOM 204 CB VAL A 17 9.410 13.688 1.289 1.00 0.00 C ATOM 205 CG1 VAL A 17 9.936 12.406 1.916 1.00 0.00 C ATOM 206 CG2 VAL A 17 7.963 13.933 1.690 1.00 0.00 C ATOM 0 H VAL A 17 12.001 13.682 1.567 1.00 0.00 H new ATOM 0 HA VAL A 17 9.991 15.758 1.106 1.00 0.00 H new ATOM 0 HB VAL A 17 9.449 13.576 0.205 1.00 0.00 H new ATOM 0 HG11 VAL A 17 9.301 11.570 1.622 1.00 0.00 H new ATOM 0 HG12 VAL A 17 10.955 12.225 1.574 1.00 0.00 H new ATOM 0 HG13 VAL A 17 9.929 12.502 3.002 1.00 0.00 H new ATOM 0 HG21 VAL A 17 7.355 13.076 1.400 1.00 0.00 H new ATOM 0 HG22 VAL A 17 7.903 14.072 2.769 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.593 14.827 1.188 1.00 0.00 H new ATOM 216 N LYS A 18 11.136 14.963 3.960 1.00 0.00 N ATOM 217 CA LYS A 18 11.077 15.204 5.396 1.00 0.00 C ATOM 218 C LYS A 18 11.144 16.698 5.701 1.00 0.00 C ATOM 219 O LYS A 18 11.697 17.476 4.923 1.00 0.00 O ATOM 220 CB LYS A 18 12.222 14.476 6.104 1.00 0.00 C ATOM 221 CG LYS A 18 12.084 12.964 6.087 1.00 0.00 C ATOM 222 CD LYS A 18 13.393 12.281 6.445 1.00 0.00 C ATOM 223 CE LYS A 18 13.347 10.792 6.136 1.00 0.00 C ATOM 224 NZ LYS A 18 12.763 10.010 7.260 1.00 0.00 N ATOM 0 H LYS A 18 12.037 14.621 3.627 1.00 0.00 H new ATOM 0 HA LYS A 18 10.127 14.818 5.765 1.00 0.00 H new ATOM 0 HB2 LYS A 18 13.164 14.752 5.631 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.273 14.816 7.138 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.310 12.660 6.791 1.00 0.00 H new ATOM 0 HG3 LYS A 18 11.761 12.638 5.098 1.00 0.00 H new ATOM 0 HD2 LYS A 18 14.210 12.744 5.891 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.603 12.428 7.504 1.00 0.00 H new ATOM 0 HE2 LYS A 18 12.758 10.626 5.234 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.355 10.433 5.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 12.749 9.001 7.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.339 10.147 8.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 11.792 10.335 7.441 1.00 0.00 H new ATOM 238 N THR A 19 10.580 17.091 6.838 1.00 0.00 N ATOM 239 CA THR A 19 10.576 18.491 7.245 1.00 0.00 C ATOM 240 C THR A 19 11.255 18.671 8.598 1.00 0.00 C ATOM 241 O THR A 19 12.081 19.566 8.773 1.00 0.00 O ATOM 242 CB THR A 19 9.143 19.049 7.324 1.00 0.00 C ATOM 243 OG1 THR A 19 8.346 18.233 8.190 1.00 0.00 O ATOM 244 CG2 THR A 19 8.507 19.104 5.944 1.00 0.00 C ATOM 0 H THR A 19 10.120 16.460 7.494 1.00 0.00 H new ATOM 0 HA THR A 19 11.131 19.043 6.486 1.00 0.00 H new ATOM 0 HB THR A 19 9.193 20.062 7.724 1.00 0.00 H new ATOM 0 HG1 THR A 19 7.437 18.596 8.236 1.00 0.00 H new ATOM 0 HG21 THR A 19 7.495 19.501 6.025 1.00 0.00 H new ATOM 0 HG22 THR A 19 9.100 19.750 5.296 1.00 0.00 H new ATOM 0 HG23 THR A 19 8.470 18.100 5.520 1.00 0.00 H new ATOM 252 N GLU A 20 10.901 17.815 9.552 1.00 0.00 N ATOM 253 CA GLU A 20 11.477 17.882 10.890 1.00 0.00 C ATOM 254 C GLU A 20 11.427 16.518 11.573 1.00 0.00 C ATOM 255 O GLU A 20 10.741 15.607 11.112 1.00 0.00 O ATOM 256 CB GLU A 20 10.735 18.917 11.738 1.00 0.00 C ATOM 257 CG GLU A 20 11.607 19.578 12.792 1.00 0.00 C ATOM 258 CD GLU A 20 10.876 20.664 13.557 1.00 0.00 C ATOM 259 OE1 GLU A 20 9.630 20.605 13.625 1.00 0.00 O ATOM 260 OE2 GLU A 20 11.548 21.573 14.086 1.00 0.00 O ATOM 0 H GLU A 20 10.219 17.068 9.423 1.00 0.00 H new ATOM 0 HA GLU A 20 12.520 18.183 10.794 1.00 0.00 H new ATOM 0 HB2 GLU A 20 10.326 19.686 11.082 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.890 18.434 12.228 1.00 0.00 H new ATOM 0 HG2 GLU A 20 11.961 18.821 13.492 1.00 0.00 H new ATOM 0 HG3 GLU A 20 12.488 20.006 12.313 1.00 0.00 H new ATOM 267 N ASN A 21 12.160 16.387 12.674 1.00 0.00 N ATOM 268 CA ASN A 21 12.200 15.135 13.420 1.00 0.00 C ATOM 269 C ASN A 21 10.795 14.693 13.819 1.00 0.00 C ATOM 270 O ASN A 21 10.048 15.450 14.437 1.00 0.00 O ATOM 271 CB ASN A 21 13.071 15.288 14.668 1.00 0.00 C ATOM 272 CG ASN A 21 12.434 16.187 15.711 1.00 0.00 C ATOM 273 OD1 ASN A 21 12.373 17.405 15.543 1.00 0.00 O ATOM 274 ND2 ASN A 21 11.957 15.587 16.796 1.00 0.00 N ATOM 0 H ASN A 21 12.734 17.132 13.069 1.00 0.00 H new ATOM 0 HA ASN A 21 12.632 14.371 12.774 1.00 0.00 H new ATOM 0 HB2 ASN A 21 13.254 14.305 15.102 1.00 0.00 H new ATOM 0 HB3 ASN A 21 14.041 15.697 14.383 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.518 16.139 17.533 1.00 0.00 H new ATOM 0 HD22 ASN A 21 12.030 14.574 16.892 1.00 0.00 H new ATOM 281 N ASN A 22 10.442 13.463 13.459 1.00 0.00 N ATOM 282 CA ASN A 22 9.127 12.921 13.779 1.00 0.00 C ATOM 283 C ASN A 22 9.222 11.442 14.143 1.00 0.00 C ATOM 284 O ASN A 22 10.296 10.844 14.078 1.00 0.00 O ATOM 285 CB ASN A 22 8.174 13.106 12.597 1.00 0.00 C ATOM 286 CG ASN A 22 7.638 14.522 12.503 1.00 0.00 C ATOM 287 OD1 ASN A 22 8.087 15.314 11.674 1.00 0.00 O ATOM 288 ND2 ASN A 22 6.673 14.846 13.354 1.00 0.00 N ATOM 0 H ASN A 22 11.048 12.823 12.946 1.00 0.00 H new ATOM 0 HA ASN A 22 8.737 13.465 14.640 1.00 0.00 H new ATOM 0 HB2 ASN A 22 8.693 12.855 11.672 1.00 0.00 H new ATOM 0 HB3 ASN A 22 7.340 12.410 12.693 1.00 0.00 H new ATOM 0 HD21 ASN A 22 6.273 15.784 13.338 1.00 0.00 H new ATOM 0 HD22 ASN A 22 6.332 14.157 14.024 1.00 0.00 H new ATOM 295 N ASP A 23 8.091 10.858 14.524 1.00 0.00 N ATOM 296 CA ASP A 23 8.046 9.449 14.897 1.00 0.00 C ATOM 297 C ASP A 23 7.208 8.651 13.903 1.00 0.00 C ATOM 298 O ASP A 23 5.980 8.617 13.997 1.00 0.00 O ATOM 299 CB ASP A 23 7.476 9.290 16.307 1.00 0.00 C ATOM 300 CG ASP A 23 6.371 10.286 16.600 1.00 0.00 C ATOM 301 OD1 ASP A 23 5.648 10.664 15.656 1.00 0.00 O ATOM 302 OD2 ASP A 23 6.231 10.688 17.775 1.00 0.00 O ATOM 0 H ASP A 23 7.193 11.339 14.583 1.00 0.00 H new ATOM 0 HA ASP A 23 9.065 9.061 14.880 1.00 0.00 H new ATOM 0 HB2 ASP A 23 7.090 8.278 16.428 1.00 0.00 H new ATOM 0 HB3 ASP A 23 8.277 9.415 17.036 1.00 0.00 H new ATOM 307 N HIS A 24 7.878 8.012 12.950 1.00 0.00 N ATOM 308 CA HIS A 24 7.195 7.214 11.938 1.00 0.00 C ATOM 309 C HIS A 24 8.070 6.052 11.479 1.00 0.00 C ATOM 310 O HIS A 24 9.243 5.963 11.846 1.00 0.00 O ATOM 311 CB HIS A 24 6.817 8.087 10.740 1.00 0.00 C ATOM 312 CG HIS A 24 6.158 9.376 11.122 1.00 0.00 C ATOM 313 ND1 HIS A 24 4.978 9.436 11.833 1.00 0.00 N ATOM 314 CD2 HIS A 24 6.522 10.659 10.890 1.00 0.00 C ATOM 315 CE1 HIS A 24 4.643 10.700 12.020 1.00 0.00 C ATOM 316 NE2 HIS A 24 5.564 11.463 11.458 1.00 0.00 N ATOM 0 H HIS A 24 8.894 8.031 12.857 1.00 0.00 H new ATOM 0 HA HIS A 24 6.287 6.807 12.384 1.00 0.00 H new ATOM 0 HB2 HIS A 24 7.715 8.305 10.162 1.00 0.00 H new ATOM 0 HB3 HIS A 24 6.147 7.525 10.089 1.00 0.00 H new ATOM 0 HD2 HIS A 24 7.402 10.989 10.358 1.00 0.00 H new ATOM 0 HE1 HIS A 24 3.766 11.050 12.543 1.00 0.00 H new ATOM 0 HE2 HIS A 24 5.564 12.483 11.448 1.00 0.00 H new ATOM 325 N ILE A 25 7.493 5.163 10.677 1.00 0.00 N ATOM 326 CA ILE A 25 8.222 4.007 10.169 1.00 0.00 C ATOM 327 C ILE A 25 8.036 3.859 8.663 1.00 0.00 C ATOM 328 O ILE A 25 6.971 4.160 8.126 1.00 0.00 O ATOM 329 CB ILE A 25 7.769 2.708 10.861 1.00 0.00 C ATOM 330 CG1 ILE A 25 6.268 2.492 10.658 1.00 0.00 C ATOM 331 CG2 ILE A 25 8.106 2.753 12.344 1.00 0.00 C ATOM 332 CD1 ILE A 25 5.742 1.238 11.319 1.00 0.00 C ATOM 0 H ILE A 25 6.524 5.221 10.365 1.00 0.00 H new ATOM 0 HA ILE A 25 9.276 4.177 10.388 1.00 0.00 H new ATOM 0 HB ILE A 25 8.302 1.870 10.411 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.729 3.354 11.052 1.00 0.00 H new ATOM 0 HG13 ILE A 25 6.057 2.445 9.590 1.00 0.00 H new ATOM 0 HG21 ILE A 25 7.780 1.828 12.819 1.00 0.00 H new ATOM 0 HG22 ILE A 25 9.183 2.865 12.469 1.00 0.00 H new ATOM 0 HG23 ILE A 25 7.597 3.598 12.807 1.00 0.00 H new ATOM 0 HD11 ILE A 25 4.672 1.150 11.133 1.00 0.00 H new ATOM 0 HD12 ILE A 25 6.254 0.368 10.908 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.921 1.291 12.393 1.00 0.00 H new ATOM 344 N ASN A 26 9.080 3.392 7.987 1.00 0.00 N ATOM 345 CA ASN A 26 9.032 3.202 6.542 1.00 0.00 C ATOM 346 C ASN A 26 9.093 1.719 6.185 1.00 0.00 C ATOM 347 O ASN A 26 10.053 1.027 6.525 1.00 0.00 O ATOM 348 CB ASN A 26 10.187 3.947 5.870 1.00 0.00 C ATOM 349 CG ASN A 26 10.068 5.451 6.018 1.00 0.00 C ATOM 350 OD1 ASN A 26 10.204 5.937 7.246 1.00 0.00 O flip ATOM 351 ND2 ASN A 26 9.857 6.168 5.039 1.00 0.00 N flip ATOM 0 H ASN A 26 9.970 3.138 8.416 1.00 0.00 H new ATOM 0 HA ASN A 26 8.087 3.606 6.179 1.00 0.00 H new ATOM 0 HB2 ASN A 26 11.131 3.615 6.303 1.00 0.00 H new ATOM 0 HB3 ASN A 26 10.215 3.690 4.811 1.00 0.00 H new ATOM 0 HD21 ASN A 26 9.759 5.751 4.113 1.00 0.00 H new ATOM 0 HD22 ASN A 26 9.780 7.179 5.154 1.00 0.00 H new ATOM 358 N LEU A 27 8.062 1.239 5.499 1.00 0.00 N ATOM 359 CA LEU A 27 7.997 -0.162 5.096 1.00 0.00 C ATOM 360 C LEU A 27 8.315 -0.316 3.612 1.00 0.00 C ATOM 361 O LEU A 27 7.757 0.387 2.770 1.00 0.00 O ATOM 362 CB LEU A 27 6.611 -0.736 5.394 1.00 0.00 C ATOM 363 CG LEU A 27 5.894 -0.157 6.615 1.00 0.00 C ATOM 364 CD1 LEU A 27 4.443 -0.613 6.647 1.00 0.00 C ATOM 365 CD2 LEU A 27 6.610 -0.561 7.895 1.00 0.00 C ATOM 0 H LEU A 27 7.260 1.799 5.210 1.00 0.00 H new ATOM 0 HA LEU A 27 8.742 -0.714 5.669 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.980 -0.581 4.519 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.707 -1.813 5.531 1.00 0.00 H new ATOM 0 HG LEU A 27 5.911 0.930 6.541 1.00 0.00 H new ATOM 0 HD11 LEU A 27 3.948 -0.192 7.522 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.935 -0.273 5.744 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.405 -1.701 6.697 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.086 -0.140 8.753 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.625 -1.648 7.976 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.633 -0.185 7.874 1.00 0.00 H new ATOM 377 N LYS A 28 9.215 -1.242 3.298 1.00 0.00 N ATOM 378 CA LYS A 28 9.606 -1.493 1.916 1.00 0.00 C ATOM 379 C LYS A 28 8.768 -2.613 1.308 1.00 0.00 C ATOM 380 O LYS A 28 8.872 -3.771 1.715 1.00 0.00 O ATOM 381 CB LYS A 28 11.091 -1.855 1.842 1.00 0.00 C ATOM 382 CG LYS A 28 12.012 -0.745 2.319 1.00 0.00 C ATOM 383 CD LYS A 28 13.427 -1.251 2.539 1.00 0.00 C ATOM 384 CE LYS A 28 13.593 -1.858 3.923 1.00 0.00 C ATOM 385 NZ LYS A 28 14.654 -2.903 3.948 1.00 0.00 N ATOM 0 H LYS A 28 9.688 -1.832 3.983 1.00 0.00 H new ATOM 0 HA LYS A 28 9.432 -0.581 1.344 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.269 -2.747 2.443 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.344 -2.108 0.812 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.023 0.061 1.585 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.626 -0.325 3.248 1.00 0.00 H new ATOM 0 HD2 LYS A 28 13.670 -1.997 1.782 1.00 0.00 H new ATOM 0 HD3 LYS A 28 14.132 -0.429 2.414 1.00 0.00 H new ATOM 0 HE2 LYS A 28 13.841 -1.072 4.637 1.00 0.00 H new ATOM 0 HE3 LYS A 28 12.647 -2.294 4.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 14.736 -3.292 4.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 14.406 -3.666 3.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 15.562 -2.482 3.666 1.00 0.00 H new ATOM 399 N VAL A 29 7.937 -2.262 0.332 1.00 0.00 N ATOM 400 CA VAL A 29 7.083 -3.238 -0.334 1.00 0.00 C ATOM 401 C VAL A 29 7.752 -3.789 -1.588 1.00 0.00 C ATOM 402 O VAL A 29 8.210 -3.031 -2.444 1.00 0.00 O ATOM 403 CB VAL A 29 5.723 -2.626 -0.718 1.00 0.00 C ATOM 404 CG1 VAL A 29 4.885 -3.630 -1.494 1.00 0.00 C ATOM 405 CG2 VAL A 29 4.985 -2.149 0.524 1.00 0.00 C ATOM 0 H VAL A 29 7.837 -1.308 -0.015 1.00 0.00 H new ATOM 0 HA VAL A 29 6.920 -4.050 0.374 1.00 0.00 H new ATOM 0 HB VAL A 29 5.900 -1.764 -1.361 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.928 -3.179 -1.756 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.412 -3.918 -2.404 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.714 -4.513 -0.879 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.026 -1.719 0.235 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.817 -2.992 1.194 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.582 -1.393 1.034 1.00 0.00 H new ATOM 415 N ALA A 30 7.806 -5.113 -1.691 1.00 0.00 N ATOM 416 CA ALA A 30 8.417 -5.766 -2.843 1.00 0.00 C ATOM 417 C ALA A 30 7.386 -6.566 -3.631 1.00 0.00 C ATOM 418 O ALA A 30 6.440 -7.110 -3.062 1.00 0.00 O ATOM 419 CB ALA A 30 9.558 -6.667 -2.395 1.00 0.00 C ATOM 0 H ALA A 30 7.434 -5.755 -0.991 1.00 0.00 H new ATOM 0 HA ALA A 30 8.816 -4.992 -3.499 1.00 0.00 H new ATOM 0 HB1 ALA A 30 10.005 -7.148 -3.265 1.00 0.00 H new ATOM 0 HB2 ALA A 30 10.313 -6.071 -1.882 1.00 0.00 H new ATOM 0 HB3 ALA A 30 9.175 -7.429 -1.716 1.00 0.00 H new ATOM 425 N GLY A 31 7.575 -6.635 -4.945 1.00 0.00 N ATOM 426 CA GLY A 31 6.652 -7.371 -5.790 1.00 0.00 C ATOM 427 C GLY A 31 7.325 -7.944 -7.021 1.00 0.00 C ATOM 428 O GLY A 31 8.435 -7.545 -7.371 1.00 0.00 O ATOM 0 H GLY A 31 8.351 -6.195 -5.440 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.204 -8.181 -5.214 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.840 -6.711 -6.097 1.00 0.00 H new ATOM 432 N GLN A 32 6.653 -8.884 -7.678 1.00 0.00 N ATOM 433 CA GLN A 32 7.195 -9.514 -8.876 1.00 0.00 C ATOM 434 C GLN A 32 7.521 -8.471 -9.940 1.00 0.00 C ATOM 435 O GLN A 32 8.571 -8.531 -10.580 1.00 0.00 O ATOM 436 CB GLN A 32 6.202 -10.535 -9.434 1.00 0.00 C ATOM 437 CG GLN A 32 5.927 -11.695 -8.490 1.00 0.00 C ATOM 438 CD GLN A 32 5.130 -12.805 -9.146 1.00 0.00 C ATOM 439 OE1 GLN A 32 3.952 -12.636 -9.462 1.00 0.00 O ATOM 440 NE2 GLN A 32 5.770 -13.950 -9.356 1.00 0.00 N ATOM 0 H GLN A 32 5.733 -9.226 -7.401 1.00 0.00 H new ATOM 0 HA GLN A 32 8.117 -10.026 -8.601 1.00 0.00 H new ATOM 0 HB2 GLN A 32 5.263 -10.030 -9.659 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.587 -10.927 -10.375 1.00 0.00 H new ATOM 0 HG2 GLN A 32 6.874 -12.097 -8.129 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.384 -11.329 -7.619 1.00 0.00 H new ATOM 0 HE21 GLN A 32 6.747 -14.047 -9.078 1.00 0.00 H new ATOM 0 HE22 GLN A 32 5.285 -14.732 -9.795 1.00 0.00 H new ATOM 449 N ASP A 33 6.616 -7.517 -10.123 1.00 0.00 N ATOM 450 CA ASP A 33 6.808 -6.460 -11.109 1.00 0.00 C ATOM 451 C ASP A 33 8.280 -6.072 -11.210 1.00 0.00 C ATOM 452 O ASP A 33 8.798 -5.842 -12.302 1.00 0.00 O ATOM 453 CB ASP A 33 5.968 -5.235 -10.745 1.00 0.00 C ATOM 454 CG ASP A 33 6.260 -4.046 -11.640 1.00 0.00 C ATOM 455 OD1 ASP A 33 6.537 -4.260 -12.839 1.00 0.00 O ATOM 456 OD2 ASP A 33 6.211 -2.902 -11.142 1.00 0.00 O ATOM 0 H ASP A 33 5.742 -7.453 -9.602 1.00 0.00 H new ATOM 0 HA ASP A 33 6.483 -6.838 -12.079 1.00 0.00 H new ATOM 0 HB2 ASP A 33 4.910 -5.489 -10.817 1.00 0.00 H new ATOM 0 HB3 ASP A 33 6.161 -4.961 -9.708 1.00 0.00 H new ATOM 461 N GLY A 34 8.948 -6.001 -10.063 1.00 0.00 N ATOM 462 CA GLY A 34 10.353 -5.639 -10.044 1.00 0.00 C ATOM 463 C GLY A 34 10.576 -4.198 -9.631 1.00 0.00 C ATOM 464 O GLY A 34 11.516 -3.551 -10.092 1.00 0.00 O ATOM 0 H GLY A 34 8.541 -6.188 -9.146 1.00 0.00 H new ATOM 0 HA2 GLY A 34 10.885 -6.297 -9.357 1.00 0.00 H new ATOM 0 HA3 GLY A 34 10.780 -5.800 -11.034 1.00 0.00 H new ATOM 468 N SER A 35 9.707 -3.692 -8.761 1.00 0.00 N ATOM 469 CA SER A 35 9.810 -2.316 -8.290 1.00 0.00 C ATOM 470 C SER A 35 9.526 -2.231 -6.794 1.00 0.00 C ATOM 471 O SER A 35 8.463 -2.642 -6.328 1.00 0.00 O ATOM 472 CB SER A 35 8.837 -1.418 -9.057 1.00 0.00 C ATOM 473 OG SER A 35 9.162 -0.050 -8.886 1.00 0.00 O ATOM 0 H SER A 35 8.924 -4.215 -8.368 1.00 0.00 H new ATOM 0 HA SER A 35 10.829 -1.972 -8.469 1.00 0.00 H new ATOM 0 HB2 SER A 35 8.862 -1.671 -10.117 1.00 0.00 H new ATOM 0 HB3 SER A 35 7.820 -1.599 -8.710 1.00 0.00 H new ATOM 0 HG SER A 35 8.526 0.502 -9.387 1.00 0.00 H new ATOM 479 N VAL A 36 10.484 -1.695 -6.045 1.00 0.00 N ATOM 480 CA VAL A 36 10.338 -1.554 -4.602 1.00 0.00 C ATOM 481 C VAL A 36 9.659 -0.237 -4.243 1.00 0.00 C ATOM 482 O VAL A 36 10.168 0.841 -4.550 1.00 0.00 O ATOM 483 CB VAL A 36 11.703 -1.625 -3.890 1.00 0.00 C ATOM 484 CG1 VAL A 36 11.545 -1.346 -2.403 1.00 0.00 C ATOM 485 CG2 VAL A 36 12.353 -2.981 -4.120 1.00 0.00 C ATOM 0 H VAL A 36 11.370 -1.351 -6.414 1.00 0.00 H new ATOM 0 HA VAL A 36 9.716 -2.383 -4.265 1.00 0.00 H new ATOM 0 HB VAL A 36 12.354 -0.859 -4.312 1.00 0.00 H new ATOM 0 HG11 VAL A 36 12.519 -1.401 -1.917 1.00 0.00 H new ATOM 0 HG12 VAL A 36 11.125 -0.350 -2.262 1.00 0.00 H new ATOM 0 HG13 VAL A 36 10.878 -2.087 -1.963 1.00 0.00 H new ATOM 0 HG21 VAL A 36 13.316 -3.014 -3.610 1.00 0.00 H new ATOM 0 HG22 VAL A 36 11.707 -3.766 -3.726 1.00 0.00 H new ATOM 0 HG23 VAL A 36 12.502 -3.136 -5.188 1.00 0.00 H new ATOM 495 N VAL A 37 8.504 -0.332 -3.591 1.00 0.00 N ATOM 496 CA VAL A 37 7.754 0.852 -3.189 1.00 0.00 C ATOM 497 C VAL A 37 7.753 1.014 -1.673 1.00 0.00 C ATOM 498 O VAL A 37 7.314 0.124 -0.945 1.00 0.00 O ATOM 499 CB VAL A 37 6.298 0.791 -3.688 1.00 0.00 C ATOM 500 CG1 VAL A 37 5.627 2.148 -3.545 1.00 0.00 C ATOM 501 CG2 VAL A 37 6.250 0.313 -5.132 1.00 0.00 C ATOM 0 H VAL A 37 8.068 -1.216 -3.330 1.00 0.00 H new ATOM 0 HA VAL A 37 8.250 1.710 -3.643 1.00 0.00 H new ATOM 0 HB VAL A 37 5.751 0.076 -3.074 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.599 2.085 -3.903 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.629 2.446 -2.497 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.171 2.887 -4.133 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.214 0.276 -5.469 1.00 0.00 H new ATOM 0 HG22 VAL A 37 6.812 1.002 -5.762 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.690 -0.682 -5.201 1.00 0.00 H new ATOM 511 N GLN A 38 8.248 2.155 -1.205 1.00 0.00 N ATOM 512 CA GLN A 38 8.304 2.433 0.225 1.00 0.00 C ATOM 513 C GLN A 38 7.133 3.309 0.656 1.00 0.00 C ATOM 514 O GLN A 38 6.545 4.021 -0.157 1.00 0.00 O ATOM 515 CB GLN A 38 9.626 3.116 0.582 1.00 0.00 C ATOM 516 CG GLN A 38 10.737 2.142 0.940 1.00 0.00 C ATOM 517 CD GLN A 38 12.026 2.843 1.322 1.00 0.00 C ATOM 518 OE1 GLN A 38 12.390 2.900 2.496 1.00 0.00 O ATOM 519 NE2 GLN A 38 12.725 3.380 0.329 1.00 0.00 N ATOM 0 H GLN A 38 8.616 2.901 -1.795 1.00 0.00 H new ATOM 0 HA GLN A 38 8.238 1.484 0.757 1.00 0.00 H new ATOM 0 HB2 GLN A 38 9.948 3.728 -0.260 1.00 0.00 H new ATOM 0 HB3 GLN A 38 9.461 3.791 1.422 1.00 0.00 H new ATOM 0 HG2 GLN A 38 10.411 1.513 1.768 1.00 0.00 H new ATOM 0 HG3 GLN A 38 10.924 1.482 0.093 1.00 0.00 H new ATOM 0 HE21 GLN A 38 12.386 3.309 -0.630 1.00 0.00 H new ATOM 0 HE22 GLN A 38 13.601 3.863 0.525 1.00 0.00 H new ATOM 528 N PHE A 39 6.798 3.251 1.941 1.00 0.00 N ATOM 529 CA PHE A 39 5.696 4.038 2.481 1.00 0.00 C ATOM 530 C PHE A 39 5.993 4.483 3.909 1.00 0.00 C ATOM 531 O PHE A 39 6.432 3.689 4.741 1.00 0.00 O ATOM 532 CB PHE A 39 4.398 3.228 2.446 1.00 0.00 C ATOM 533 CG PHE A 39 3.993 2.802 1.064 1.00 0.00 C ATOM 534 CD1 PHE A 39 4.477 1.625 0.517 1.00 0.00 C ATOM 535 CD2 PHE A 39 3.127 3.580 0.312 1.00 0.00 C ATOM 536 CE1 PHE A 39 4.106 1.232 -0.755 1.00 0.00 C ATOM 537 CE2 PHE A 39 2.753 3.192 -0.961 1.00 0.00 C ATOM 538 CZ PHE A 39 3.242 2.016 -1.495 1.00 0.00 C ATOM 0 H PHE A 39 7.275 2.667 2.628 1.00 0.00 H new ATOM 0 HA PHE A 39 5.579 4.926 1.860 1.00 0.00 H new ATOM 0 HB2 PHE A 39 4.515 2.342 3.071 1.00 0.00 H new ATOM 0 HB3 PHE A 39 3.596 3.823 2.884 1.00 0.00 H new ATOM 0 HD1 PHE A 39 5.152 1.007 1.091 1.00 0.00 H new ATOM 0 HD2 PHE A 39 2.740 4.500 0.725 1.00 0.00 H new ATOM 0 HE1 PHE A 39 4.491 0.313 -1.170 1.00 0.00 H new ATOM 0 HE2 PHE A 39 2.079 3.808 -1.538 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.950 1.710 -2.489 1.00 0.00 H new ATOM 548 N LYS A 40 5.751 5.760 4.187 1.00 0.00 N ATOM 549 CA LYS A 40 5.992 6.313 5.514 1.00 0.00 C ATOM 550 C LYS A 40 4.676 6.569 6.243 1.00 0.00 C ATOM 551 O LYS A 40 3.882 7.415 5.831 1.00 0.00 O ATOM 552 CB LYS A 40 6.791 7.614 5.410 1.00 0.00 C ATOM 553 CG LYS A 40 7.381 8.074 6.732 1.00 0.00 C ATOM 554 CD LYS A 40 7.687 9.562 6.719 1.00 0.00 C ATOM 555 CE LYS A 40 8.610 9.951 7.864 1.00 0.00 C ATOM 556 NZ LYS A 40 8.933 11.404 7.847 1.00 0.00 N ATOM 0 H LYS A 40 5.388 6.431 3.510 1.00 0.00 H new ATOM 0 HA LYS A 40 6.568 5.585 6.085 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.598 7.478 4.690 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.143 8.398 5.019 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.683 7.852 7.539 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.294 7.516 6.938 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.150 9.831 5.770 1.00 0.00 H new ATOM 0 HD3 LYS A 40 6.757 10.126 6.792 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.139 9.695 8.813 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.532 9.373 7.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.564 11.629 8.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.405 11.644 6.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.056 11.956 7.934 1.00 0.00 H new ATOM 570 N ILE A 41 4.454 5.835 7.328 1.00 0.00 N ATOM 571 CA ILE A 41 3.236 5.985 8.115 1.00 0.00 C ATOM 572 C ILE A 41 3.545 5.997 9.608 1.00 0.00 C ATOM 573 O ILE A 41 4.700 5.876 10.016 1.00 0.00 O ATOM 574 CB ILE A 41 2.232 4.856 7.819 1.00 0.00 C ATOM 575 CG1 ILE A 41 2.672 3.560 8.503 1.00 0.00 C ATOM 576 CG2 ILE A 41 2.094 4.650 6.318 1.00 0.00 C ATOM 577 CD1 ILE A 41 1.642 2.455 8.423 1.00 0.00 C ATOM 0 H ILE A 41 5.101 5.131 7.682 1.00 0.00 H new ATOM 0 HA ILE A 41 2.792 6.939 7.830 1.00 0.00 H new ATOM 0 HB ILE A 41 1.258 5.142 8.217 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.600 3.215 8.047 1.00 0.00 H new ATOM 0 HG13 ILE A 41 2.890 3.767 9.551 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.381 3.849 6.125 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.739 5.571 5.855 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.063 4.383 5.897 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.021 1.567 8.928 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.720 2.781 8.905 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.441 2.220 7.378 1.00 0.00 H new ATOM 589 N LYS A 42 2.504 6.142 10.421 1.00 0.00 N ATOM 590 CA LYS A 42 2.661 6.167 11.870 1.00 0.00 C ATOM 591 C LYS A 42 2.422 4.784 12.467 1.00 0.00 C ATOM 592 O LYS A 42 1.770 3.937 11.855 1.00 0.00 O ATOM 593 CB LYS A 42 1.694 7.177 12.492 1.00 0.00 C ATOM 594 CG LYS A 42 1.680 8.521 11.785 1.00 0.00 C ATOM 595 CD LYS A 42 0.521 9.385 12.252 1.00 0.00 C ATOM 596 CE LYS A 42 0.340 10.604 11.360 1.00 0.00 C ATOM 597 NZ LYS A 42 -0.489 11.653 12.016 1.00 0.00 N ATOM 0 H LYS A 42 1.541 6.244 10.100 1.00 0.00 H new ATOM 0 HA LYS A 42 3.684 6.468 12.094 1.00 0.00 H new ATOM 0 HB2 LYS A 42 0.687 6.759 12.479 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.963 7.329 13.537 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.620 9.041 11.971 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.609 8.366 10.708 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -0.396 8.795 12.255 1.00 0.00 H new ATOM 0 HD3 LYS A 42 0.696 9.707 13.279 1.00 0.00 H new ATOM 0 HE2 LYS A 42 1.316 11.018 11.108 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -0.130 10.302 10.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -0.589 12.467 11.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -1.430 11.266 12.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -0.028 11.959 12.897 1.00 0.00 H new ATOM 611 N ARG A 43 2.951 4.562 13.666 1.00 0.00 N ATOM 612 CA ARG A 43 2.794 3.281 14.345 1.00 0.00 C ATOM 613 C ARG A 43 1.334 3.040 14.719 1.00 0.00 C ATOM 614 O ARG A 43 0.912 1.899 14.909 1.00 0.00 O ATOM 615 CB ARG A 43 3.667 3.235 15.600 1.00 0.00 C ATOM 616 CG ARG A 43 3.110 4.044 16.760 1.00 0.00 C ATOM 617 CD ARG A 43 3.623 5.476 16.738 1.00 0.00 C ATOM 618 NE ARG A 43 3.203 6.226 17.919 1.00 0.00 N ATOM 619 CZ ARG A 43 3.788 7.348 18.323 1.00 0.00 C ATOM 620 NH1 ARG A 43 4.813 7.847 17.646 1.00 0.00 N ATOM 621 NH2 ARG A 43 3.348 7.973 19.408 1.00 0.00 N ATOM 0 H ARG A 43 3.492 5.252 14.187 1.00 0.00 H new ATOM 0 HA ARG A 43 3.111 2.494 13.661 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.782 2.198 15.914 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.662 3.606 15.354 1.00 0.00 H new ATOM 0 HG2 ARG A 43 2.021 4.046 16.714 1.00 0.00 H new ATOM 0 HG3 ARG A 43 3.388 3.571 17.702 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.711 5.470 16.680 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.259 5.978 15.841 1.00 0.00 H new ATOM 0 HE ARG A 43 2.418 5.869 18.463 1.00 0.00 H new ATOM 0 HH11 ARG A 43 5.155 7.369 16.812 1.00 0.00 H new ATOM 0 HH12 ARG A 43 5.260 8.709 17.959 1.00 0.00 H new ATOM 0 HH21 ARG A 43 2.560 7.592 19.932 1.00 0.00 H new ATOM 0 HH22 ARG A 43 3.798 8.835 19.718 1.00 0.00 H new ATOM 635 N HIS A 44 0.569 4.121 14.824 1.00 0.00 N ATOM 636 CA HIS A 44 -0.844 4.027 15.176 1.00 0.00 C ATOM 637 C HIS A 44 -1.725 4.436 13.999 1.00 0.00 C ATOM 638 O HIS A 44 -2.660 5.222 14.154 1.00 0.00 O ATOM 639 CB HIS A 44 -1.150 4.907 16.388 1.00 0.00 C ATOM 640 CG HIS A 44 -0.555 6.279 16.297 1.00 0.00 C ATOM 641 ND1 HIS A 44 0.068 6.901 17.358 1.00 0.00 N ATOM 642 CD2 HIS A 44 -0.489 7.148 15.262 1.00 0.00 C ATOM 643 CE1 HIS A 44 0.490 8.095 16.980 1.00 0.00 C ATOM 644 NE2 HIS A 44 0.164 8.269 15.712 1.00 0.00 N ATOM 0 H HIS A 44 0.903 5.072 14.671 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.062 2.989 15.427 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -2.231 4.995 16.499 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -0.776 4.416 17.287 1.00 0.00 H new ATOM 0 HD1 HIS A 44 0.185 6.502 18.289 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -0.878 6.989 14.267 1.00 0.00 H new ATOM 0 HE1 HIS A 44 1.012 8.807 17.602 1.00 0.00 H new ATOM 653 N THR A 45 -1.419 3.899 12.822 1.00 0.00 N ATOM 654 CA THR A 45 -2.181 4.209 11.619 1.00 0.00 C ATOM 655 C THR A 45 -2.505 2.945 10.832 1.00 0.00 C ATOM 656 O THR A 45 -1.654 2.080 10.623 1.00 0.00 O ATOM 657 CB THR A 45 -1.417 5.187 10.707 1.00 0.00 C ATOM 658 OG1 THR A 45 -1.240 6.442 11.374 1.00 0.00 O ATOM 659 CG2 THR A 45 -2.164 5.403 9.399 1.00 0.00 C ATOM 0 H THR A 45 -0.648 3.247 12.676 1.00 0.00 H new ATOM 0 HA THR A 45 -3.109 4.678 11.945 1.00 0.00 H new ATOM 0 HB THR A 45 -0.442 4.754 10.483 1.00 0.00 H new ATOM 0 HG1 THR A 45 -0.752 7.058 10.788 1.00 0.00 H new ATOM 0 HG21 THR A 45 -1.605 6.097 8.771 1.00 0.00 H new ATOM 0 HG22 THR A 45 -2.272 4.451 8.880 1.00 0.00 H new ATOM 0 HG23 THR A 45 -3.151 5.816 9.608 1.00 0.00 H new ATOM 667 N PRO A 46 -3.764 2.833 10.382 1.00 0.00 N ATOM 668 CA PRO A 46 -4.228 1.678 9.609 1.00 0.00 C ATOM 669 C PRO A 46 -3.621 1.634 8.211 1.00 0.00 C ATOM 670 O PRO A 46 -3.649 2.624 7.479 1.00 0.00 O ATOM 671 CB PRO A 46 -5.742 1.891 9.527 1.00 0.00 C ATOM 672 CG PRO A 46 -5.926 3.362 9.674 1.00 0.00 C ATOM 673 CD PRO A 46 -4.830 3.826 10.593 1.00 0.00 C ATOM 0 HA PRO A 46 -3.940 0.735 10.074 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -6.141 1.535 8.577 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.262 1.346 10.315 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -5.863 3.862 8.707 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.907 3.593 10.089 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.496 4.833 10.343 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.159 3.848 11.632 1.00 0.00 H new ATOM 681 N LEU A 47 -3.073 0.480 7.845 1.00 0.00 N ATOM 682 CA LEU A 47 -2.458 0.307 6.533 1.00 0.00 C ATOM 683 C LEU A 47 -3.422 0.713 5.423 1.00 0.00 C ATOM 684 O LEU A 47 -3.007 0.980 4.295 1.00 0.00 O ATOM 685 CB LEU A 47 -2.023 -1.147 6.340 1.00 0.00 C ATOM 686 CG LEU A 47 -1.097 -1.719 7.414 1.00 0.00 C ATOM 687 CD1 LEU A 47 -0.870 -3.205 7.187 1.00 0.00 C ATOM 688 CD2 LEU A 47 0.228 -0.971 7.428 1.00 0.00 C ATOM 0 H LEU A 47 -3.042 -0.349 8.438 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.581 0.952 6.482 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.917 -1.769 6.290 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.523 -1.231 5.375 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.575 -1.590 8.385 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.209 -3.594 7.961 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.825 -3.729 7.228 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.414 -3.358 6.209 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.875 -1.391 8.198 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.711 -1.068 6.456 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.049 0.083 7.640 1.00 0.00 H new ATOM 700 N SER A 48 -4.709 0.761 5.751 1.00 0.00 N ATOM 701 CA SER A 48 -5.732 1.134 4.781 1.00 0.00 C ATOM 702 C SER A 48 -5.208 2.197 3.820 1.00 0.00 C ATOM 703 O SER A 48 -5.355 2.079 2.604 1.00 0.00 O ATOM 704 CB SER A 48 -6.981 1.650 5.498 1.00 0.00 C ATOM 705 OG SER A 48 -6.685 2.796 6.277 1.00 0.00 O ATOM 0 H SER A 48 -5.068 0.546 6.681 1.00 0.00 H new ATOM 0 HA SER A 48 -5.993 0.246 4.206 1.00 0.00 H new ATOM 0 HB2 SER A 48 -7.750 1.893 4.765 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.387 0.866 6.138 1.00 0.00 H new ATOM 0 HG SER A 48 -7.500 3.107 6.724 1.00 0.00 H new ATOM 711 N LYS A 49 -4.595 3.237 4.376 1.00 0.00 N ATOM 712 CA LYS A 49 -4.047 4.322 3.571 1.00 0.00 C ATOM 713 C LYS A 49 -2.824 3.855 2.788 1.00 0.00 C ATOM 714 O LYS A 49 -2.724 4.078 1.581 1.00 0.00 O ATOM 715 CB LYS A 49 -3.672 5.508 4.463 1.00 0.00 C ATOM 716 CG LYS A 49 -4.863 6.352 4.884 1.00 0.00 C ATOM 717 CD LYS A 49 -4.526 7.239 6.071 1.00 0.00 C ATOM 718 CE LYS A 49 -4.531 6.453 7.373 1.00 0.00 C ATOM 719 NZ LYS A 49 -4.668 7.344 8.559 1.00 0.00 N ATOM 0 H LYS A 49 -4.465 3.351 5.381 1.00 0.00 H new ATOM 0 HA LYS A 49 -4.813 4.636 2.862 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -3.167 5.136 5.355 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -2.959 6.139 3.933 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -5.186 6.970 4.047 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -5.699 5.701 5.141 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -3.546 7.692 5.922 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -5.247 8.054 6.134 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -5.352 5.736 7.361 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -3.608 5.879 7.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -5.035 6.797 9.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -3.738 7.740 8.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -5.326 8.118 8.338 1.00 0.00 H new ATOM 733 N LEU A 50 -1.896 3.205 3.482 1.00 0.00 N ATOM 734 CA LEU A 50 -0.680 2.704 2.852 1.00 0.00 C ATOM 735 C LEU A 50 -1.007 1.912 1.590 1.00 0.00 C ATOM 736 O LEU A 50 -0.458 2.177 0.520 1.00 0.00 O ATOM 737 CB LEU A 50 0.101 1.826 3.831 1.00 0.00 C ATOM 738 CG LEU A 50 0.940 0.709 3.208 1.00 0.00 C ATOM 739 CD1 LEU A 50 1.836 1.263 2.111 1.00 0.00 C ATOM 740 CD2 LEU A 50 1.770 0.008 4.274 1.00 0.00 C ATOM 0 H LEU A 50 -1.963 3.013 4.481 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.066 3.560 2.572 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.762 2.467 4.415 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.606 1.376 4.528 1.00 0.00 H new ATOM 0 HG LEU A 50 0.265 -0.022 2.763 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.425 0.454 1.679 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.221 1.718 1.335 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.504 2.014 2.532 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.361 -0.784 3.813 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.436 0.728 4.748 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.108 -0.423 5.025 1.00 0.00 H new ATOM 752 N MET A 51 -1.905 0.942 1.722 1.00 0.00 N ATOM 753 CA MET A 51 -2.307 0.114 0.591 1.00 0.00 C ATOM 754 C MET A 51 -2.849 0.974 -0.546 1.00 0.00 C ATOM 755 O MET A 51 -2.347 0.924 -1.669 1.00 0.00 O ATOM 756 CB MET A 51 -3.365 -0.902 1.026 1.00 0.00 C ATOM 757 CG MET A 51 -2.933 -1.764 2.202 1.00 0.00 C ATOM 758 SD MET A 51 -4.320 -2.284 3.229 1.00 0.00 S ATOM 759 CE MET A 51 -3.759 -3.899 3.762 1.00 0.00 C ATOM 0 H MET A 51 -2.368 0.710 2.601 1.00 0.00 H new ATOM 0 HA MET A 51 -1.427 -0.420 0.232 1.00 0.00 H new ATOM 0 HB2 MET A 51 -4.279 -0.371 1.292 1.00 0.00 H new ATOM 0 HB3 MET A 51 -3.605 -1.548 0.182 1.00 0.00 H new ATOM 0 HG2 MET A 51 -2.412 -2.646 1.829 1.00 0.00 H new ATOM 0 HG3 MET A 51 -2.222 -1.208 2.813 1.00 0.00 H new ATOM 0 HE1 MET A 51 -4.597 -4.596 3.754 1.00 0.00 H new ATOM 0 HE2 MET A 51 -2.983 -4.257 3.085 1.00 0.00 H new ATOM 0 HE3 MET A 51 -3.355 -3.829 4.772 1.00 0.00 H new ATOM 769 N LYS A 52 -3.877 1.761 -0.249 1.00 0.00 N ATOM 770 CA LYS A 52 -4.487 2.633 -1.245 1.00 0.00 C ATOM 771 C LYS A 52 -3.423 3.412 -2.012 1.00 0.00 C ATOM 772 O LYS A 52 -3.565 3.662 -3.209 1.00 0.00 O ATOM 773 CB LYS A 52 -5.461 3.605 -0.575 1.00 0.00 C ATOM 774 CG LYS A 52 -6.775 2.963 -0.164 1.00 0.00 C ATOM 775 CD LYS A 52 -7.910 3.973 -0.157 1.00 0.00 C ATOM 776 CE LYS A 52 -8.579 4.071 -1.519 1.00 0.00 C ATOM 777 NZ LYS A 52 -9.497 2.926 -1.770 1.00 0.00 N ATOM 0 H LYS A 52 -4.306 1.813 0.675 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.034 2.008 -1.951 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.984 4.034 0.307 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.667 4.429 -1.258 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -7.014 2.150 -0.850 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.672 2.523 0.828 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -8.648 3.687 0.592 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.526 4.951 0.132 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -9.137 5.005 -1.583 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -7.816 4.102 -2.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -9.547 2.738 -2.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -9.140 2.081 -1.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -10.446 3.158 -1.414 1.00 0.00 H new ATOM 791 N ALA A 53 -2.356 3.790 -1.315 1.00 0.00 N ATOM 792 CA ALA A 53 -1.266 4.536 -1.932 1.00 0.00 C ATOM 793 C ALA A 53 -0.427 3.638 -2.834 1.00 0.00 C ATOM 794 O ALA A 53 0.195 4.106 -3.788 1.00 0.00 O ATOM 795 CB ALA A 53 -0.394 5.177 -0.862 1.00 0.00 C ATOM 0 H ALA A 53 -2.223 3.592 -0.323 1.00 0.00 H new ATOM 0 HA ALA A 53 -1.700 5.322 -2.550 1.00 0.00 H new ATOM 0 HB1 ALA A 53 0.416 5.731 -1.336 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -0.997 5.859 -0.262 1.00 0.00 H new ATOM 0 HB3 ALA A 53 0.024 4.401 -0.220 1.00 0.00 H new ATOM 801 N TYR A 54 -0.413 2.346 -2.526 1.00 0.00 N ATOM 802 CA TYR A 54 0.353 1.382 -3.308 1.00 0.00 C ATOM 803 C TYR A 54 -0.405 0.979 -4.569 1.00 0.00 C ATOM 804 O TYR A 54 0.184 0.834 -5.641 1.00 0.00 O ATOM 805 CB TYR A 54 0.662 0.143 -2.467 1.00 0.00 C ATOM 806 CG TYR A 54 1.373 -0.949 -3.235 1.00 0.00 C ATOM 807 CD1 TYR A 54 2.760 -0.992 -3.296 1.00 0.00 C ATOM 808 CD2 TYR A 54 0.657 -1.937 -3.899 1.00 0.00 C ATOM 809 CE1 TYR A 54 3.413 -1.987 -3.998 1.00 0.00 C ATOM 810 CE2 TYR A 54 1.302 -2.937 -4.601 1.00 0.00 C ATOM 811 CZ TYR A 54 2.680 -2.957 -4.648 1.00 0.00 C ATOM 812 OH TYR A 54 3.327 -3.950 -5.347 1.00 0.00 O ATOM 0 H TYR A 54 -0.923 1.942 -1.741 1.00 0.00 H new ATOM 0 HA TYR A 54 1.290 1.854 -3.604 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.277 0.436 -1.616 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.270 -0.255 -2.065 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.338 -0.235 -2.786 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -0.422 -1.923 -3.866 1.00 0.00 H new ATOM 0 HE1 TYR A 54 4.492 -2.005 -4.037 1.00 0.00 H new ATOM 0 HE2 TYR A 54 0.730 -3.699 -5.110 1.00 0.00 H new ATOM 0 HH TYR A 54 3.641 -4.638 -4.723 1.00 0.00 H new ATOM 822 N CYS A 55 -1.714 0.799 -4.433 1.00 0.00 N ATOM 823 CA CYS A 55 -2.554 0.412 -5.561 1.00 0.00 C ATOM 824 C CYS A 55 -2.744 1.580 -6.523 1.00 0.00 C ATOM 825 O CYS A 55 -2.744 1.400 -7.740 1.00 0.00 O ATOM 826 CB CYS A 55 -3.913 -0.083 -5.064 1.00 0.00 C ATOM 827 SG CYS A 55 -5.044 1.238 -4.569 1.00 0.00 S ATOM 0 H CYS A 55 -2.217 0.915 -3.553 1.00 0.00 H new ATOM 0 HA CYS A 55 -2.054 -0.396 -6.095 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -4.383 -0.673 -5.851 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -3.757 -0.750 -4.216 1.00 0.00 H new ATOM 0 HG CYS A 55 -4.375 2.183 -3.977 1.00 0.00 H new ATOM 833 N GLU A 56 -2.909 2.777 -5.967 1.00 0.00 N ATOM 834 CA GLU A 56 -3.103 3.974 -6.777 1.00 0.00 C ATOM 835 C GLU A 56 -1.839 4.310 -7.563 1.00 0.00 C ATOM 836 O GLU A 56 -1.901 4.632 -8.750 1.00 0.00 O ATOM 837 CB GLU A 56 -3.495 5.158 -5.891 1.00 0.00 C ATOM 838 CG GLU A 56 -2.307 5.954 -5.378 1.00 0.00 C ATOM 839 CD GLU A 56 -2.724 7.157 -4.554 1.00 0.00 C ATOM 840 OE1 GLU A 56 -3.501 7.988 -5.069 1.00 0.00 O ATOM 841 OE2 GLU A 56 -2.272 7.268 -3.395 1.00 0.00 O ATOM 0 H GLU A 56 -2.912 2.943 -4.961 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.908 3.776 -7.484 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.150 5.822 -6.455 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.070 4.790 -5.041 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.674 5.305 -4.773 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.706 6.288 -6.223 1.00 0.00 H new ATOM 848 N ARG A 57 -0.694 4.233 -6.893 1.00 0.00 N ATOM 849 CA ARG A 57 0.584 4.531 -7.527 1.00 0.00 C ATOM 850 C ARG A 57 0.743 3.744 -8.825 1.00 0.00 C ATOM 851 O ARG A 57 1.190 4.283 -9.837 1.00 0.00 O ATOM 852 CB ARG A 57 1.738 4.205 -6.577 1.00 0.00 C ATOM 853 CG ARG A 57 3.109 4.516 -7.154 1.00 0.00 C ATOM 854 CD ARG A 57 4.177 3.598 -6.579 1.00 0.00 C ATOM 855 NE ARG A 57 5.525 4.060 -6.899 1.00 0.00 N ATOM 856 CZ ARG A 57 6.122 5.070 -6.277 1.00 0.00 C ATOM 857 NH1 ARG A 57 5.494 5.721 -5.308 1.00 0.00 N ATOM 858 NH2 ARG A 57 7.351 5.431 -6.625 1.00 0.00 N ATOM 0 H ARG A 57 -0.625 3.967 -5.911 1.00 0.00 H new ATOM 0 HA ARG A 57 0.605 5.595 -7.761 1.00 0.00 H new ATOM 0 HB2 ARG A 57 1.606 4.767 -5.653 1.00 0.00 H new ATOM 0 HB3 ARG A 57 1.695 3.148 -6.316 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.081 4.409 -8.238 1.00 0.00 H new ATOM 0 HG3 ARG A 57 3.367 5.554 -6.942 1.00 0.00 H new ATOM 0 HD2 ARG A 57 4.061 3.540 -5.497 1.00 0.00 H new ATOM 0 HD3 ARG A 57 4.037 2.590 -6.969 1.00 0.00 H new ATOM 0 HE ARG A 57 6.036 3.581 -7.641 1.00 0.00 H new ATOM 0 HH11 ARG A 57 4.549 5.447 -5.038 1.00 0.00 H new ATOM 0 HH12 ARG A 57 5.955 6.496 -4.832 1.00 0.00 H new ATOM 0 HH21 ARG A 57 7.837 4.933 -7.370 1.00 0.00 H new ATOM 0 HH22 ARG A 57 7.809 6.207 -6.147 1.00 0.00 H new ATOM 872 N GLN A 58 0.375 2.468 -8.787 1.00 0.00 N ATOM 873 CA GLN A 58 0.478 1.608 -9.959 1.00 0.00 C ATOM 874 C GLN A 58 -0.849 1.550 -10.710 1.00 0.00 C ATOM 875 O GLN A 58 -0.940 0.956 -11.784 1.00 0.00 O ATOM 876 CB GLN A 58 0.907 0.198 -9.548 1.00 0.00 C ATOM 877 CG GLN A 58 2.285 0.144 -8.910 1.00 0.00 C ATOM 878 CD GLN A 58 3.354 0.781 -9.776 1.00 0.00 C ATOM 879 OE1 GLN A 58 3.219 0.852 -10.998 1.00 0.00 O ATOM 880 NE2 GLN A 58 4.425 1.250 -9.146 1.00 0.00 N ATOM 0 H GLN A 58 0.003 2.007 -7.957 1.00 0.00 H new ATOM 0 HA GLN A 58 1.232 2.030 -10.623 1.00 0.00 H new ATOM 0 HB2 GLN A 58 0.176 -0.206 -8.848 1.00 0.00 H new ATOM 0 HB3 GLN A 58 0.897 -0.447 -10.427 1.00 0.00 H new ATOM 0 HG2 GLN A 58 2.255 0.650 -7.945 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.551 -0.895 -8.716 1.00 0.00 H new ATOM 0 HE21 GLN A 58 4.496 1.170 -8.132 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.177 1.690 -9.677 1.00 0.00 H new ATOM 889 N GLY A 59 -1.875 2.171 -10.137 1.00 0.00 N ATOM 890 CA GLY A 59 -3.183 2.177 -10.766 1.00 0.00 C ATOM 891 C GLY A 59 -3.844 0.813 -10.744 1.00 0.00 C ATOM 892 O GLY A 59 -4.744 0.538 -11.539 1.00 0.00 O ATOM 0 H GLY A 59 -1.824 2.670 -9.249 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.824 2.896 -10.256 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -3.085 2.513 -11.798 1.00 0.00 H new ATOM 896 N LEU A 60 -3.396 -0.045 -9.834 1.00 0.00 N ATOM 897 CA LEU A 60 -3.948 -1.390 -9.713 1.00 0.00 C ATOM 898 C LEU A 60 -5.135 -1.406 -8.755 1.00 0.00 C ATOM 899 O LEU A 60 -5.502 -0.378 -8.187 1.00 0.00 O ATOM 900 CB LEU A 60 -2.872 -2.362 -9.227 1.00 0.00 C ATOM 901 CG LEU A 60 -1.535 -2.307 -9.966 1.00 0.00 C ATOM 902 CD1 LEU A 60 -0.501 -3.173 -9.263 1.00 0.00 C ATOM 903 CD2 LEU A 60 -1.706 -2.746 -11.413 1.00 0.00 C ATOM 0 H LEU A 60 -2.652 0.167 -9.169 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.295 -1.705 -10.697 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.688 -2.170 -8.170 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.265 -3.376 -9.303 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.181 -1.276 -9.960 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.444 -3.122 -9.803 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.357 -2.813 -8.244 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.848 -4.206 -9.237 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.744 -2.700 -11.923 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.083 -3.768 -11.441 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.413 -2.084 -11.913 1.00 0.00 H new ATOM 915 N SER A 61 -5.730 -2.582 -8.579 1.00 0.00 N ATOM 916 CA SER A 61 -6.877 -2.732 -7.691 1.00 0.00 C ATOM 917 C SER A 61 -6.472 -3.427 -6.394 1.00 0.00 C ATOM 918 O SER A 61 -5.730 -4.408 -6.409 1.00 0.00 O ATOM 919 CB SER A 61 -7.985 -3.528 -8.384 1.00 0.00 C ATOM 920 OG SER A 61 -9.130 -3.634 -7.556 1.00 0.00 O ATOM 0 H SER A 61 -5.437 -3.444 -9.039 1.00 0.00 H new ATOM 0 HA SER A 61 -7.251 -1.737 -7.449 1.00 0.00 H new ATOM 0 HB2 SER A 61 -8.254 -3.042 -9.322 1.00 0.00 H new ATOM 0 HB3 SER A 61 -7.620 -4.524 -8.634 1.00 0.00 H new ATOM 0 HG SER A 61 -9.836 -4.118 -8.034 1.00 0.00 H new ATOM 926 N MET A 62 -6.966 -2.909 -5.274 1.00 0.00 N ATOM 927 CA MET A 62 -6.656 -3.480 -3.968 1.00 0.00 C ATOM 928 C MET A 62 -6.991 -4.968 -3.931 1.00 0.00 C ATOM 929 O MET A 62 -6.225 -5.773 -3.401 1.00 0.00 O ATOM 930 CB MET A 62 -7.429 -2.745 -2.871 1.00 0.00 C ATOM 931 CG MET A 62 -6.845 -2.941 -1.481 1.00 0.00 C ATOM 932 SD MET A 62 -7.803 -2.108 -0.201 1.00 0.00 S ATOM 933 CE MET A 62 -6.666 -0.811 0.283 1.00 0.00 C ATOM 0 H MET A 62 -7.582 -2.096 -5.244 1.00 0.00 H new ATOM 0 HA MET A 62 -5.587 -3.362 -3.792 1.00 0.00 H new ATOM 0 HB2 MET A 62 -7.447 -1.680 -3.102 1.00 0.00 H new ATOM 0 HB3 MET A 62 -8.463 -3.089 -2.874 1.00 0.00 H new ATOM 0 HG2 MET A 62 -6.798 -4.007 -1.258 1.00 0.00 H new ATOM 0 HG3 MET A 62 -5.822 -2.566 -1.465 1.00 0.00 H new ATOM 0 HE1 MET A 62 -6.299 -1.006 1.291 1.00 0.00 H new ATOM 0 HE2 MET A 62 -5.826 -0.786 -0.411 1.00 0.00 H new ATOM 0 HE3 MET A 62 -7.181 0.150 0.264 1.00 0.00 H new ATOM 943 N ARG A 63 -8.138 -5.326 -4.498 1.00 0.00 N ATOM 944 CA ARG A 63 -8.574 -6.716 -4.529 1.00 0.00 C ATOM 945 C ARG A 63 -7.669 -7.550 -5.431 1.00 0.00 C ATOM 946 O ARG A 63 -7.475 -8.743 -5.199 1.00 0.00 O ATOM 947 CB ARG A 63 -10.022 -6.809 -5.015 1.00 0.00 C ATOM 948 CG ARG A 63 -10.241 -6.208 -6.394 1.00 0.00 C ATOM 949 CD ARG A 63 -11.468 -6.799 -7.071 1.00 0.00 C ATOM 950 NE ARG A 63 -12.707 -6.219 -6.560 1.00 0.00 N ATOM 951 CZ ARG A 63 -13.871 -6.296 -7.195 1.00 0.00 C ATOM 952 NH1 ARG A 63 -13.955 -6.927 -8.359 1.00 0.00 N ATOM 953 NH2 ARG A 63 -14.955 -5.743 -6.666 1.00 0.00 N ATOM 0 H ARG A 63 -8.782 -4.672 -4.942 1.00 0.00 H new ATOM 0 HA ARG A 63 -8.512 -7.112 -3.515 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -10.324 -7.856 -5.032 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -10.670 -6.302 -4.300 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -10.357 -5.128 -6.307 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -9.362 -6.385 -7.013 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -11.405 -6.631 -8.146 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -11.482 -7.878 -6.918 1.00 0.00 H new ATOM 0 HE ARG A 63 -12.677 -5.728 -5.667 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -13.124 -7.355 -8.768 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -14.850 -6.985 -8.844 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -14.895 -5.258 -5.771 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -15.848 -5.803 -7.155 1.00 0.00 H new ATOM 967 N GLN A 64 -7.119 -6.913 -6.460 1.00 0.00 N ATOM 968 CA GLN A 64 -6.236 -7.597 -7.397 1.00 0.00 C ATOM 969 C GLN A 64 -4.908 -7.951 -6.735 1.00 0.00 C ATOM 970 O GLN A 64 -4.375 -9.043 -6.936 1.00 0.00 O ATOM 971 CB GLN A 64 -5.988 -6.722 -8.628 1.00 0.00 C ATOM 972 CG GLN A 64 -5.049 -7.353 -9.643 1.00 0.00 C ATOM 973 CD GLN A 64 -4.276 -6.323 -10.442 1.00 0.00 C ATOM 974 OE1 GLN A 64 -3.140 -5.985 -10.107 1.00 0.00 O ATOM 975 NE2 GLN A 64 -4.888 -5.817 -11.506 1.00 0.00 N ATOM 0 H GLN A 64 -7.269 -5.925 -6.666 1.00 0.00 H new ATOM 0 HA GLN A 64 -6.724 -8.521 -7.708 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.942 -6.510 -9.111 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.574 -5.766 -8.307 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -4.347 -8.007 -9.125 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -5.625 -7.979 -10.325 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -5.830 -6.126 -11.747 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -4.416 -5.120 -12.082 1.00 0.00 H new ATOM 984 N ILE A 65 -4.380 -7.021 -5.946 1.00 0.00 N ATOM 985 CA ILE A 65 -3.115 -7.236 -5.254 1.00 0.00 C ATOM 986 C ILE A 65 -3.346 -7.670 -3.810 1.00 0.00 C ATOM 987 O ILE A 65 -4.389 -7.383 -3.224 1.00 0.00 O ATOM 988 CB ILE A 65 -2.245 -5.966 -5.263 1.00 0.00 C ATOM 989 CG1 ILE A 65 -2.964 -4.824 -4.542 1.00 0.00 C ATOM 990 CG2 ILE A 65 -1.906 -5.567 -6.692 1.00 0.00 C ATOM 991 CD1 ILE A 65 -2.082 -3.621 -4.286 1.00 0.00 C ATOM 0 H ILE A 65 -4.808 -6.112 -5.770 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.592 -8.028 -5.791 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.315 -6.176 -4.734 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -3.824 -4.514 -5.136 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.349 -5.191 -3.591 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -1.291 -4.667 -6.682 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -1.359 -6.376 -7.176 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -2.826 -5.371 -7.243 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.657 -2.851 -3.772 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.235 -3.916 -3.666 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -1.717 -3.229 -5.235 1.00 0.00 H new ATOM 1003 N ARG A 66 -2.363 -8.362 -3.242 1.00 0.00 N ATOM 1004 CA ARG A 66 -2.458 -8.835 -1.866 1.00 0.00 C ATOM 1005 C ARG A 66 -1.315 -8.281 -1.021 1.00 0.00 C ATOM 1006 O ARG A 66 -0.206 -8.074 -1.515 1.00 0.00 O ATOM 1007 CB ARG A 66 -2.441 -10.364 -1.828 1.00 0.00 C ATOM 1008 CG ARG A 66 -1.939 -10.935 -0.511 1.00 0.00 C ATOM 1009 CD ARG A 66 -2.951 -10.733 0.606 1.00 0.00 C ATOM 1010 NE ARG A 66 -3.890 -11.848 0.702 1.00 0.00 N ATOM 1011 CZ ARG A 66 -4.742 -12.006 1.708 1.00 0.00 C ATOM 1012 NH1 ARG A 66 -4.774 -11.126 2.699 1.00 0.00 N ATOM 1013 NH2 ARG A 66 -5.565 -13.047 1.725 1.00 0.00 N ATOM 0 H ARG A 66 -1.492 -8.607 -3.713 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.400 -8.479 -1.449 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -3.449 -10.735 -2.014 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -1.811 -10.732 -2.638 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -1.734 -11.999 -0.629 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -0.997 -10.457 -0.241 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -2.426 -10.618 1.554 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -3.502 -9.809 0.433 1.00 0.00 H new ATOM 0 HE ARG A 66 -3.891 -12.543 -0.045 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -4.143 -10.325 2.690 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -5.430 -11.250 3.470 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -5.543 -13.727 0.965 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -6.219 -13.167 2.498 1.00 0.00 H new ATOM 1027 N PHE A 67 -1.592 -8.043 0.257 1.00 0.00 N ATOM 1028 CA PHE A 67 -0.587 -7.512 1.171 1.00 0.00 C ATOM 1029 C PHE A 67 -0.225 -8.541 2.239 1.00 0.00 C ATOM 1030 O PHE A 67 -1.068 -9.330 2.666 1.00 0.00 O ATOM 1031 CB PHE A 67 -1.096 -6.230 1.834 1.00 0.00 C ATOM 1032 CG PHE A 67 -1.335 -5.108 0.864 1.00 0.00 C ATOM 1033 CD1 PHE A 67 -2.565 -4.961 0.244 1.00 0.00 C ATOM 1034 CD2 PHE A 67 -0.329 -4.201 0.573 1.00 0.00 C ATOM 1035 CE1 PHE A 67 -2.786 -3.929 -0.650 1.00 0.00 C ATOM 1036 CE2 PHE A 67 -0.544 -3.167 -0.319 1.00 0.00 C ATOM 1037 CZ PHE A 67 -1.775 -3.031 -0.930 1.00 0.00 C ATOM 0 H PHE A 67 -2.504 -8.209 0.683 1.00 0.00 H new ATOM 0 HA PHE A 67 0.309 -7.283 0.593 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -2.025 -6.447 2.362 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -0.373 -5.905 2.582 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -3.360 -5.659 0.461 1.00 0.00 H new ATOM 0 HD2 PHE A 67 0.635 -4.303 1.049 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -3.749 -3.826 -1.129 1.00 0.00 H new ATOM 0 HE2 PHE A 67 0.249 -2.467 -0.538 1.00 0.00 H new ATOM 0 HZ PHE A 67 -1.947 -2.223 -1.626 1.00 0.00 H new ATOM 1047 N ARG A 68 1.033 -8.525 2.665 1.00 0.00 N ATOM 1048 CA ARG A 68 1.508 -9.457 3.680 1.00 0.00 C ATOM 1049 C ARG A 68 2.657 -8.850 4.481 1.00 0.00 C ATOM 1050 O ARG A 68 3.276 -7.874 4.056 1.00 0.00 O ATOM 1051 CB ARG A 68 1.961 -10.765 3.031 1.00 0.00 C ATOM 1052 CG ARG A 68 0.865 -11.816 2.948 1.00 0.00 C ATOM 1053 CD ARG A 68 1.442 -13.209 2.756 1.00 0.00 C ATOM 1054 NE ARG A 68 1.572 -13.557 1.343 1.00 0.00 N ATOM 1055 CZ ARG A 68 0.575 -14.040 0.611 1.00 0.00 C ATOM 1056 NH1 ARG A 68 -0.620 -14.230 1.154 1.00 0.00 N ATOM 1057 NH2 ARG A 68 0.771 -14.333 -0.669 1.00 0.00 N ATOM 0 H ARG A 68 1.742 -7.877 2.323 1.00 0.00 H new ATOM 0 HA ARG A 68 0.682 -9.664 4.361 1.00 0.00 H new ATOM 0 HB2 ARG A 68 2.327 -10.554 2.026 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.799 -11.170 3.597 1.00 0.00 H new ATOM 0 HG2 ARG A 68 0.266 -11.791 3.859 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.196 -11.581 2.120 1.00 0.00 H new ATOM 0 HD2 ARG A 68 2.420 -13.266 3.235 1.00 0.00 H new ATOM 0 HD3 ARG A 68 0.801 -13.938 3.252 1.00 0.00 H new ATOM 0 HE ARG A 68 2.478 -13.422 0.894 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -0.775 -14.005 2.137 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -1.384 -14.601 0.589 1.00 0.00 H new ATOM 0 HH21 ARG A 68 1.688 -14.187 -1.091 1.00 0.00 H new ATOM 0 HH22 ARG A 68 0.004 -14.704 -1.230 1.00 0.00 H new ATOM 1071 N PHE A 69 2.935 -9.433 5.642 1.00 0.00 N ATOM 1072 CA PHE A 69 4.008 -8.949 6.503 1.00 0.00 C ATOM 1073 C PHE A 69 4.624 -10.095 7.300 1.00 0.00 C ATOM 1074 O PHE A 69 3.990 -10.653 8.196 1.00 0.00 O ATOM 1075 CB PHE A 69 3.481 -7.875 7.456 1.00 0.00 C ATOM 1076 CG PHE A 69 4.539 -7.295 8.350 1.00 0.00 C ATOM 1077 CD1 PHE A 69 5.726 -6.816 7.820 1.00 0.00 C ATOM 1078 CD2 PHE A 69 4.346 -7.230 9.721 1.00 0.00 C ATOM 1079 CE1 PHE A 69 6.702 -6.282 8.641 1.00 0.00 C ATOM 1080 CE2 PHE A 69 5.318 -6.696 10.546 1.00 0.00 C ATOM 1081 CZ PHE A 69 6.498 -6.223 10.005 1.00 0.00 C ATOM 0 H PHE A 69 2.432 -10.241 6.009 1.00 0.00 H new ATOM 0 HA PHE A 69 4.781 -8.514 5.869 1.00 0.00 H new ATOM 0 HB2 PHE A 69 3.030 -7.072 6.872 1.00 0.00 H new ATOM 0 HB3 PHE A 69 2.691 -8.304 8.072 1.00 0.00 H new ATOM 0 HD1 PHE A 69 5.891 -6.860 6.754 1.00 0.00 H new ATOM 0 HD2 PHE A 69 3.426 -7.601 10.149 1.00 0.00 H new ATOM 0 HE1 PHE A 69 7.623 -5.911 8.216 1.00 0.00 H new ATOM 0 HE2 PHE A 69 5.155 -6.649 11.613 1.00 0.00 H new ATOM 0 HZ PHE A 69 7.260 -5.808 10.648 1.00 0.00 H new ATOM 1091 N ASP A 70 5.863 -10.441 6.968 1.00 0.00 N ATOM 1092 CA ASP A 70 6.566 -11.519 7.653 1.00 0.00 C ATOM 1093 C ASP A 70 5.887 -12.861 7.394 1.00 0.00 C ATOM 1094 O ASP A 70 5.989 -13.785 8.199 1.00 0.00 O ATOM 1095 CB ASP A 70 6.624 -11.245 9.157 1.00 0.00 C ATOM 1096 CG ASP A 70 7.750 -11.997 9.839 1.00 0.00 C ATOM 1097 OD1 ASP A 70 8.903 -11.893 9.371 1.00 0.00 O ATOM 1098 OD2 ASP A 70 7.477 -12.688 10.843 1.00 0.00 O ATOM 0 H ASP A 70 6.401 -9.990 6.228 1.00 0.00 H new ATOM 0 HA ASP A 70 7.582 -11.564 7.261 1.00 0.00 H new ATOM 0 HB2 ASP A 70 6.752 -10.175 9.324 1.00 0.00 H new ATOM 0 HB3 ASP A 70 5.675 -11.527 9.612 1.00 0.00 H new ATOM 1103 N GLY A 71 5.193 -12.959 6.264 1.00 0.00 N ATOM 1104 CA GLY A 71 4.506 -14.190 5.920 1.00 0.00 C ATOM 1105 C GLY A 71 3.130 -14.282 6.549 1.00 0.00 C ATOM 1106 O GLY A 71 2.680 -15.366 6.917 1.00 0.00 O ATOM 0 H GLY A 71 5.094 -12.208 5.581 1.00 0.00 H new ATOM 0 HA2 GLY A 71 4.412 -14.259 4.836 1.00 0.00 H new ATOM 0 HA3 GLY A 71 5.107 -15.040 6.243 1.00 0.00 H new ATOM 1110 N GLN A 72 2.460 -13.140 6.672 1.00 0.00 N ATOM 1111 CA GLN A 72 1.128 -13.097 7.263 1.00 0.00 C ATOM 1112 C GLN A 72 0.227 -12.130 6.503 1.00 0.00 C ATOM 1113 O GLN A 72 0.638 -11.038 6.109 1.00 0.00 O ATOM 1114 CB GLN A 72 1.212 -12.684 8.734 1.00 0.00 C ATOM 1115 CG GLN A 72 1.258 -11.179 8.942 1.00 0.00 C ATOM 1116 CD GLN A 72 2.019 -10.786 10.193 1.00 0.00 C ATOM 1117 OE1 GLN A 72 2.206 -9.486 10.389 1.00 0.00 O flip ATOM 1118 NE2 GLN A 72 2.433 -11.642 10.976 1.00 0.00 N flip ATOM 0 H GLN A 72 2.818 -12.234 6.371 1.00 0.00 H new ATOM 0 HA GLN A 72 0.697 -14.096 7.197 1.00 0.00 H new ATOM 0 HB2 GLN A 72 0.352 -13.090 9.266 1.00 0.00 H new ATOM 0 HB3 GLN A 72 2.101 -13.131 9.178 1.00 0.00 H new ATOM 0 HG2 GLN A 72 1.724 -10.710 8.075 1.00 0.00 H new ATOM 0 HG3 GLN A 72 0.240 -10.793 9.004 1.00 0.00 H new ATOM 0 HE21 GLN A 72 2.267 -12.630 10.786 1.00 0.00 H new ATOM 0 HE22 GLN A 72 2.942 -11.363 11.815 1.00 0.00 H new ATOM 1127 N PRO A 73 -1.033 -12.537 6.290 1.00 0.00 N ATOM 1128 CA PRO A 73 -2.019 -11.721 5.575 1.00 0.00 C ATOM 1129 C PRO A 73 -2.447 -10.496 6.375 1.00 0.00 C ATOM 1130 O PRO A 73 -3.042 -10.619 7.446 1.00 0.00 O ATOM 1131 CB PRO A 73 -3.201 -12.676 5.387 1.00 0.00 C ATOM 1132 CG PRO A 73 -3.069 -13.664 6.494 1.00 0.00 C ATOM 1133 CD PRO A 73 -1.593 -13.826 6.731 1.00 0.00 C ATOM 0 HA PRO A 73 -1.620 -11.326 4.641 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -4.151 -12.145 5.441 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.164 -13.165 4.413 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.572 -13.311 7.394 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -3.528 -14.615 6.225 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.374 -14.021 7.781 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -1.183 -14.659 6.159 1.00 0.00 H new ATOM 1141 N ILE A 74 -2.141 -9.315 5.849 1.00 0.00 N ATOM 1142 CA ILE A 74 -2.496 -8.067 6.514 1.00 0.00 C ATOM 1143 C ILE A 74 -3.692 -7.405 5.838 1.00 0.00 C ATOM 1144 O ILE A 74 -3.861 -7.497 4.623 1.00 0.00 O ATOM 1145 CB ILE A 74 -1.315 -7.079 6.524 1.00 0.00 C ATOM 1146 CG1 ILE A 74 -0.658 -7.021 5.144 1.00 0.00 C ATOM 1147 CG2 ILE A 74 -0.299 -7.480 7.584 1.00 0.00 C ATOM 1148 CD1 ILE A 74 0.297 -5.859 4.977 1.00 0.00 C ATOM 0 H ILE A 74 -1.648 -9.196 4.964 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.756 -8.320 7.542 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.693 -6.086 6.767 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.119 -7.952 4.968 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -1.435 -6.954 4.383 1.00 0.00 H new ATOM 0 HG21 ILE A 74 0.530 -6.772 7.579 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.775 -7.475 8.565 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.076 -8.480 7.368 1.00 0.00 H new ATOM 0 HD11 ILE A 74 0.725 -5.881 3.975 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -0.241 -4.922 5.121 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.096 -5.936 5.715 1.00 0.00 H new ATOM 1160 N ASN A 75 -4.518 -6.735 6.635 1.00 0.00 N ATOM 1161 CA ASN A 75 -5.699 -6.055 6.114 1.00 0.00 C ATOM 1162 C ASN A 75 -5.568 -4.543 6.270 1.00 0.00 C ATOM 1163 O ASN A 75 -4.627 -4.052 6.892 1.00 0.00 O ATOM 1164 CB ASN A 75 -6.956 -6.547 6.835 1.00 0.00 C ATOM 1165 CG ASN A 75 -7.491 -7.839 6.248 1.00 0.00 C ATOM 1166 OD1 ASN A 75 -8.635 -7.902 5.799 1.00 0.00 O ATOM 1167 ND2 ASN A 75 -6.662 -8.876 6.249 1.00 0.00 N ATOM 0 H ASN A 75 -4.392 -6.648 7.643 1.00 0.00 H new ATOM 0 HA ASN A 75 -5.783 -6.287 5.052 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -6.731 -6.697 7.891 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -7.727 -5.779 6.779 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -6.965 -9.772 5.867 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -5.722 -8.777 6.632 1.00 0.00 H new ATOM 1174 N GLU A 76 -6.520 -3.811 5.699 1.00 0.00 N ATOM 1175 CA GLU A 76 -6.511 -2.354 5.775 1.00 0.00 C ATOM 1176 C GLU A 76 -6.891 -1.880 7.175 1.00 0.00 C ATOM 1177 O GLU A 76 -6.453 -0.820 7.624 1.00 0.00 O ATOM 1178 CB GLU A 76 -7.475 -1.762 4.745 1.00 0.00 C ATOM 1179 CG GLU A 76 -8.853 -2.401 4.762 1.00 0.00 C ATOM 1180 CD GLU A 76 -9.837 -1.692 3.852 1.00 0.00 C ATOM 1181 OE1 GLU A 76 -9.734 -0.454 3.719 1.00 0.00 O ATOM 1182 OE2 GLU A 76 -10.710 -2.373 3.275 1.00 0.00 O ATOM 0 H GLU A 76 -7.306 -4.202 5.180 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.500 -2.010 5.556 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.578 -0.693 4.929 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.044 -1.874 3.750 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.769 -3.444 4.457 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -9.239 -2.397 5.781 1.00 0.00 H new ATOM 1189 N THR A 77 -7.711 -2.672 7.860 1.00 0.00 N ATOM 1190 CA THR A 77 -8.152 -2.333 9.207 1.00 0.00 C ATOM 1191 C THR A 77 -7.103 -2.721 10.243 1.00 0.00 C ATOM 1192 O THR A 77 -7.386 -2.768 11.440 1.00 0.00 O ATOM 1193 CB THR A 77 -9.481 -3.029 9.554 1.00 0.00 C ATOM 1194 OG1 THR A 77 -9.375 -4.436 9.313 1.00 0.00 O ATOM 1195 CG2 THR A 77 -10.624 -2.453 8.732 1.00 0.00 C ATOM 0 H THR A 77 -8.083 -3.552 7.504 1.00 0.00 H new ATOM 0 HA THR A 77 -8.299 -1.253 9.229 1.00 0.00 H new ATOM 0 HB THR A 77 -9.691 -2.857 10.610 1.00 0.00 H new ATOM 0 HG1 THR A 77 -10.224 -4.871 9.538 1.00 0.00 H new ATOM 0 HG21 THR A 77 -11.552 -2.960 8.994 1.00 0.00 H new ATOM 0 HG22 THR A 77 -10.721 -1.388 8.940 1.00 0.00 H new ATOM 0 HG23 THR A 77 -10.419 -2.598 7.671 1.00 0.00 H new ATOM 1203 N ASP A 78 -5.890 -2.997 9.775 1.00 0.00 N ATOM 1204 CA ASP A 78 -4.798 -3.379 10.662 1.00 0.00 C ATOM 1205 C ASP A 78 -3.734 -2.287 10.715 1.00 0.00 C ATOM 1206 O ASP A 78 -3.521 -1.564 9.742 1.00 0.00 O ATOM 1207 CB ASP A 78 -4.172 -4.696 10.198 1.00 0.00 C ATOM 1208 CG ASP A 78 -5.076 -5.886 10.448 1.00 0.00 C ATOM 1209 OD1 ASP A 78 -5.679 -5.954 11.540 1.00 0.00 O ATOM 1210 OD2 ASP A 78 -5.181 -6.752 9.553 1.00 0.00 O ATOM 0 H ASP A 78 -5.639 -2.963 8.787 1.00 0.00 H new ATOM 0 HA ASP A 78 -5.206 -3.513 11.664 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -3.946 -4.632 9.134 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -3.225 -4.847 10.716 1.00 0.00 H new ATOM 1215 N THR A 79 -3.067 -2.173 11.860 1.00 0.00 N ATOM 1216 CA THR A 79 -2.027 -1.168 12.041 1.00 0.00 C ATOM 1217 C THR A 79 -0.648 -1.813 12.124 1.00 0.00 C ATOM 1218 O THR A 79 -0.509 -3.006 12.393 1.00 0.00 O ATOM 1219 CB THR A 79 -2.268 -0.334 13.314 1.00 0.00 C ATOM 1220 OG1 THR A 79 -2.942 -1.126 14.298 1.00 0.00 O ATOM 1221 CG2 THR A 79 -3.093 0.905 13.000 1.00 0.00 C ATOM 0 H THR A 79 -3.229 -2.764 12.675 1.00 0.00 H new ATOM 0 HA THR A 79 -2.067 -0.512 11.172 1.00 0.00 H new ATOM 0 HB THR A 79 -1.301 -0.018 13.704 1.00 0.00 H new ATOM 0 HG1 THR A 79 -3.090 -0.589 15.105 1.00 0.00 H new ATOM 0 HG21 THR A 79 -3.251 1.478 13.914 1.00 0.00 H new ATOM 0 HG22 THR A 79 -2.563 1.520 12.272 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.057 0.606 12.589 1.00 0.00 H new ATOM 1229 N PRO A 80 0.398 -1.007 11.887 1.00 0.00 N ATOM 1230 CA PRO A 80 1.785 -1.478 11.930 1.00 0.00 C ATOM 1231 C PRO A 80 2.240 -1.814 13.346 1.00 0.00 C ATOM 1232 O PRO A 80 3.151 -2.618 13.541 1.00 0.00 O ATOM 1233 CB PRO A 80 2.580 -0.290 11.381 1.00 0.00 C ATOM 1234 CG PRO A 80 1.729 0.899 11.666 1.00 0.00 C ATOM 1235 CD PRO A 80 0.306 0.425 11.559 1.00 0.00 C ATOM 0 HA PRO A 80 1.920 -2.399 11.362 1.00 0.00 H new ATOM 0 HB2 PRO A 80 3.553 -0.206 11.866 1.00 0.00 H new ATOM 0 HB3 PRO A 80 2.765 -0.397 10.312 1.00 0.00 H new ATOM 0 HG2 PRO A 80 1.934 1.297 12.660 1.00 0.00 H new ATOM 0 HG3 PRO A 80 1.928 1.701 10.955 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -0.347 0.955 12.252 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -0.096 0.583 10.558 1.00 0.00 H new ATOM 1243 N ALA A 81 1.598 -1.194 14.331 1.00 0.00 N ATOM 1244 CA ALA A 81 1.936 -1.430 15.729 1.00 0.00 C ATOM 1245 C ALA A 81 1.356 -2.753 16.218 1.00 0.00 C ATOM 1246 O ALA A 81 1.863 -3.350 17.167 1.00 0.00 O ATOM 1247 CB ALA A 81 1.437 -0.281 16.594 1.00 0.00 C ATOM 0 H ALA A 81 0.842 -0.525 14.187 1.00 0.00 H new ATOM 0 HA ALA A 81 3.021 -1.487 15.810 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.696 -0.471 17.636 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.903 0.649 16.268 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.354 -0.198 16.499 1.00 0.00 H new ATOM 1253 N GLN A 82 0.290 -3.204 15.565 1.00 0.00 N ATOM 1254 CA GLN A 82 -0.359 -4.456 15.935 1.00 0.00 C ATOM 1255 C GLN A 82 0.465 -5.654 15.473 1.00 0.00 C ATOM 1256 O GLN A 82 0.492 -6.694 16.132 1.00 0.00 O ATOM 1257 CB GLN A 82 -1.763 -4.525 15.333 1.00 0.00 C ATOM 1258 CG GLN A 82 -2.631 -5.619 15.934 1.00 0.00 C ATOM 1259 CD GLN A 82 -3.193 -5.239 17.290 1.00 0.00 C ATOM 1260 OE1 GLN A 82 -2.485 -4.693 18.137 1.00 0.00 O ATOM 1261 NE2 GLN A 82 -4.472 -5.525 17.502 1.00 0.00 N ATOM 0 H GLN A 82 -0.142 -2.721 14.777 1.00 0.00 H new ATOM 0 HA GLN A 82 -0.436 -4.488 17.022 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -2.257 -3.563 15.473 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -1.681 -4.688 14.258 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -3.453 -5.840 15.253 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -2.043 -6.532 16.031 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -5.021 -5.978 16.772 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -4.905 -5.292 18.395 1.00 0.00 H new ATOM 1270 N LEU A 83 1.134 -5.501 14.336 1.00 0.00 N ATOM 1271 CA LEU A 83 1.959 -6.571 13.784 1.00 0.00 C ATOM 1272 C LEU A 83 3.344 -6.576 14.424 1.00 0.00 C ATOM 1273 O LEU A 83 4.234 -7.308 13.993 1.00 0.00 O ATOM 1274 CB LEU A 83 2.086 -6.413 12.268 1.00 0.00 C ATOM 1275 CG LEU A 83 0.810 -6.017 11.525 1.00 0.00 C ATOM 1276 CD1 LEU A 83 1.149 -5.323 10.215 1.00 0.00 C ATOM 1277 CD2 LEU A 83 -0.061 -7.239 11.273 1.00 0.00 C ATOM 0 H LEU A 83 1.122 -4.647 13.778 1.00 0.00 H new ATOM 0 HA LEU A 83 1.473 -7.522 14.005 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.849 -5.662 12.064 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.446 -7.355 11.854 1.00 0.00 H new ATOM 0 HG LEU A 83 0.251 -5.319 12.148 1.00 0.00 H new ATOM 0 HD11 LEU A 83 0.228 -5.048 9.700 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.732 -4.425 10.419 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.730 -5.997 9.586 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.965 -6.938 10.743 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.490 -7.961 10.670 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.333 -7.695 12.225 1.00 0.00 H new ATOM 1289 N GLU A 84 3.516 -5.756 15.457 1.00 0.00 N ATOM 1290 CA GLU A 84 4.792 -5.668 16.157 1.00 0.00 C ATOM 1291 C GLU A 84 5.892 -5.173 15.222 1.00 0.00 C ATOM 1292 O GLU A 84 6.998 -5.712 15.208 1.00 0.00 O ATOM 1293 CB GLU A 84 5.176 -7.031 16.737 1.00 0.00 C ATOM 1294 CG GLU A 84 4.507 -7.337 18.066 1.00 0.00 C ATOM 1295 CD GLU A 84 4.729 -8.768 18.516 1.00 0.00 C ATOM 1296 OE1 GLU A 84 4.132 -9.680 17.906 1.00 0.00 O ATOM 1297 OE2 GLU A 84 5.499 -8.976 19.476 1.00 0.00 O ATOM 0 H GLU A 84 2.788 -5.144 15.827 1.00 0.00 H new ATOM 0 HA GLU A 84 4.682 -4.952 16.972 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.913 -7.809 16.020 1.00 0.00 H new ATOM 0 HB3 GLU A 84 6.258 -7.070 16.867 1.00 0.00 H new ATOM 0 HG2 GLU A 84 4.891 -6.657 18.827 1.00 0.00 H new ATOM 0 HG3 GLU A 84 3.437 -7.149 17.981 1.00 0.00 H new ATOM 1304 N MET A 85 5.579 -4.143 14.443 1.00 0.00 N ATOM 1305 CA MET A 85 6.541 -3.574 13.506 1.00 0.00 C ATOM 1306 C MET A 85 7.564 -2.709 14.236 1.00 0.00 C ATOM 1307 O MET A 85 7.252 -2.086 15.250 1.00 0.00 O ATOM 1308 CB MET A 85 5.819 -2.744 12.443 1.00 0.00 C ATOM 1309 CG MET A 85 4.962 -3.574 11.502 1.00 0.00 C ATOM 1310 SD MET A 85 4.401 -2.639 10.066 1.00 0.00 S ATOM 1311 CE MET A 85 4.103 -3.962 8.896 1.00 0.00 C ATOM 0 H MET A 85 4.667 -3.685 14.442 1.00 0.00 H new ATOM 0 HA MET A 85 7.067 -4.395 13.020 1.00 0.00 H new ATOM 0 HB2 MET A 85 5.189 -2.004 12.937 1.00 0.00 H new ATOM 0 HB3 MET A 85 6.558 -2.195 11.859 1.00 0.00 H new ATOM 0 HG2 MET A 85 5.532 -4.440 11.166 1.00 0.00 H new ATOM 0 HG3 MET A 85 4.096 -3.953 12.045 1.00 0.00 H new ATOM 0 HE1 MET A 85 3.354 -3.644 8.170 1.00 0.00 H new ATOM 0 HE2 MET A 85 5.031 -4.205 8.378 1.00 0.00 H new ATOM 0 HE3 MET A 85 3.743 -4.843 9.427 1.00 0.00 H new ATOM 1321 N GLU A 86 8.785 -2.677 13.712 1.00 0.00 N ATOM 1322 CA GLU A 86 9.854 -1.888 14.316 1.00 0.00 C ATOM 1323 C GLU A 86 10.160 -0.653 13.474 1.00 0.00 C ATOM 1324 O GLU A 86 9.798 0.466 13.840 1.00 0.00 O ATOM 1325 CB GLU A 86 11.117 -2.737 14.474 1.00 0.00 C ATOM 1326 CG GLU A 86 10.937 -3.931 15.397 1.00 0.00 C ATOM 1327 CD GLU A 86 12.219 -4.716 15.592 1.00 0.00 C ATOM 1328 OE1 GLU A 86 12.627 -5.429 14.651 1.00 0.00 O ATOM 1329 OE2 GLU A 86 12.814 -4.618 16.685 1.00 0.00 O ATOM 0 H GLU A 86 9.059 -3.187 12.872 1.00 0.00 H new ATOM 0 HA GLU A 86 9.519 -1.561 15.300 1.00 0.00 H new ATOM 0 HB2 GLU A 86 11.431 -3.092 13.492 1.00 0.00 H new ATOM 0 HB3 GLU A 86 11.921 -2.109 14.859 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.576 -3.585 16.366 1.00 0.00 H new ATOM 0 HG3 GLU A 86 10.171 -4.590 14.988 1.00 0.00 H new ATOM 1336 N ASP A 87 10.830 -0.864 12.347 1.00 0.00 N ATOM 1337 CA ASP A 87 11.185 0.232 11.452 1.00 0.00 C ATOM 1338 C ASP A 87 11.851 -0.296 10.185 1.00 0.00 C ATOM 1339 O ASP A 87 12.288 -1.445 10.135 1.00 0.00 O ATOM 1340 CB ASP A 87 12.118 1.215 12.161 1.00 0.00 C ATOM 1341 CG ASP A 87 13.461 0.599 12.499 1.00 0.00 C ATOM 1342 OD1 ASP A 87 14.378 0.674 11.656 1.00 0.00 O ATOM 1343 OD2 ASP A 87 13.594 0.041 13.609 1.00 0.00 O ATOM 0 H ASP A 87 11.138 -1.783 12.031 1.00 0.00 H new ATOM 0 HA ASP A 87 10.269 0.751 11.171 1.00 0.00 H new ATOM 0 HB2 ASP A 87 12.272 2.088 11.526 1.00 0.00 H new ATOM 0 HB3 ASP A 87 11.642 1.567 13.077 1.00 0.00 H new ATOM 1348 N GLU A 88 11.922 0.552 9.163 1.00 0.00 N ATOM 1349 CA GLU A 88 12.532 0.169 7.895 1.00 0.00 C ATOM 1350 C GLU A 88 12.165 -1.265 7.525 1.00 0.00 C ATOM 1351 O GLU A 88 12.908 -1.945 6.818 1.00 0.00 O ATOM 1352 CB GLU A 88 14.053 0.314 7.971 1.00 0.00 C ATOM 1353 CG GLU A 88 14.531 1.755 7.913 1.00 0.00 C ATOM 1354 CD GLU A 88 14.501 2.323 6.507 1.00 0.00 C ATOM 1355 OE1 GLU A 88 13.635 1.900 5.714 1.00 0.00 O ATOM 1356 OE2 GLU A 88 15.345 3.191 6.200 1.00 0.00 O ATOM 0 H GLU A 88 11.565 1.507 9.189 1.00 0.00 H new ATOM 0 HA GLU A 88 12.149 0.835 7.122 1.00 0.00 H new ATOM 0 HB2 GLU A 88 14.407 -0.140 8.896 1.00 0.00 H new ATOM 0 HB3 GLU A 88 14.504 -0.243 7.150 1.00 0.00 H new ATOM 0 HG2 GLU A 88 13.905 2.368 8.562 1.00 0.00 H new ATOM 0 HG3 GLU A 88 15.547 1.813 8.303 1.00 0.00 H new ATOM 1363 N ASP A 89 11.013 -1.717 8.009 1.00 0.00 N ATOM 1364 CA ASP A 89 10.546 -3.070 7.729 1.00 0.00 C ATOM 1365 C ASP A 89 10.303 -3.264 6.235 1.00 0.00 C ATOM 1366 O ASP A 89 10.588 -2.378 5.429 1.00 0.00 O ATOM 1367 CB ASP A 89 9.262 -3.360 8.508 1.00 0.00 C ATOM 1368 CG ASP A 89 9.534 -3.748 9.949 1.00 0.00 C ATOM 1369 OD1 ASP A 89 9.993 -4.885 10.180 1.00 0.00 O ATOM 1370 OD2 ASP A 89 9.287 -2.913 10.845 1.00 0.00 O ATOM 0 H ASP A 89 10.386 -1.167 8.596 1.00 0.00 H new ATOM 0 HA ASP A 89 11.321 -3.768 8.046 1.00 0.00 H new ATOM 0 HB2 ASP A 89 8.621 -2.479 8.487 1.00 0.00 H new ATOM 0 HB3 ASP A 89 8.715 -4.164 8.015 1.00 0.00 H new ATOM 1375 N THR A 90 9.777 -4.429 5.872 1.00 0.00 N ATOM 1376 CA THR A 90 9.498 -4.741 4.476 1.00 0.00 C ATOM 1377 C THR A 90 8.175 -5.484 4.332 1.00 0.00 C ATOM 1378 O THR A 90 7.926 -6.468 5.030 1.00 0.00 O ATOM 1379 CB THR A 90 10.623 -5.591 3.855 1.00 0.00 C ATOM 1380 OG1 THR A 90 11.877 -4.913 3.984 1.00 0.00 O ATOM 1381 CG2 THR A 90 10.340 -5.872 2.387 1.00 0.00 C ATOM 0 H THR A 90 9.535 -5.173 6.526 1.00 0.00 H new ATOM 0 HA THR A 90 9.436 -3.791 3.946 1.00 0.00 H new ATOM 0 HB THR A 90 10.668 -6.541 4.388 1.00 0.00 H new ATOM 0 HG1 THR A 90 12.587 -5.460 3.588 1.00 0.00 H new ATOM 0 HG21 THR A 90 11.147 -6.473 1.969 1.00 0.00 H new ATOM 0 HG22 THR A 90 9.399 -6.414 2.295 1.00 0.00 H new ATOM 0 HG23 THR A 90 10.271 -4.930 1.843 1.00 0.00 H new ATOM 1389 N ILE A 91 7.331 -5.009 3.422 1.00 0.00 N ATOM 1390 CA ILE A 91 6.034 -5.631 3.186 1.00 0.00 C ATOM 1391 C ILE A 91 6.073 -6.533 1.957 1.00 0.00 C ATOM 1392 O ILE A 91 6.848 -6.302 1.029 1.00 0.00 O ATOM 1393 CB ILE A 91 4.929 -4.574 2.998 1.00 0.00 C ATOM 1394 CG1 ILE A 91 5.071 -3.465 4.043 1.00 0.00 C ATOM 1395 CG2 ILE A 91 3.556 -5.223 3.089 1.00 0.00 C ATOM 1396 CD1 ILE A 91 3.890 -2.522 4.086 1.00 0.00 C ATOM 0 H ILE A 91 7.522 -4.196 2.836 1.00 0.00 H new ATOM 0 HA ILE A 91 5.806 -6.231 4.067 1.00 0.00 H new ATOM 0 HB ILE A 91 5.035 -4.130 2.008 1.00 0.00 H new ATOM 0 HG12 ILE A 91 5.200 -3.918 5.026 1.00 0.00 H new ATOM 0 HG13 ILE A 91 5.975 -2.893 3.834 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.785 -4.464 2.954 1.00 0.00 H new ATOM 0 HG22 ILE A 91 3.459 -5.980 2.311 1.00 0.00 H new ATOM 0 HG23 ILE A 91 3.438 -5.690 4.067 1.00 0.00 H new ATOM 0 HD11 ILE A 91 4.059 -1.762 4.849 1.00 0.00 H new ATOM 0 HD12 ILE A 91 3.772 -2.042 3.115 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.986 -3.082 4.326 1.00 0.00 H new ATOM 1408 N ASP A 92 5.231 -7.560 1.958 1.00 0.00 N ATOM 1409 CA ASP A 92 5.167 -8.497 0.842 1.00 0.00 C ATOM 1410 C ASP A 92 3.892 -8.288 0.031 1.00 0.00 C ATOM 1411 O ASP A 92 2.785 -8.360 0.565 1.00 0.00 O ATOM 1412 CB ASP A 92 5.231 -9.937 1.352 1.00 0.00 C ATOM 1413 CG ASP A 92 5.870 -10.879 0.350 1.00 0.00 C ATOM 1414 OD1 ASP A 92 6.950 -10.539 -0.177 1.00 0.00 O ATOM 1415 OD2 ASP A 92 5.291 -11.954 0.095 1.00 0.00 O ATOM 0 H ASP A 92 4.583 -7.765 2.719 1.00 0.00 H new ATOM 0 HA ASP A 92 6.024 -8.311 0.194 1.00 0.00 H new ATOM 0 HB2 ASP A 92 5.796 -9.965 2.284 1.00 0.00 H new ATOM 0 HB3 ASP A 92 4.223 -10.284 1.580 1.00 0.00 H new ATOM 1420 N VAL A 93 4.055 -8.029 -1.263 1.00 0.00 N ATOM 1421 CA VAL A 93 2.917 -7.810 -2.148 1.00 0.00 C ATOM 1422 C VAL A 93 3.154 -8.445 -3.514 1.00 0.00 C ATOM 1423 O VAL A 93 4.296 -8.618 -3.941 1.00 0.00 O ATOM 1424 CB VAL A 93 2.632 -6.308 -2.334 1.00 0.00 C ATOM 1425 CG1 VAL A 93 1.609 -6.092 -3.439 1.00 0.00 C ATOM 1426 CG2 VAL A 93 2.157 -5.691 -1.028 1.00 0.00 C ATOM 0 H VAL A 93 4.964 -7.966 -1.721 1.00 0.00 H new ATOM 0 HA VAL A 93 2.054 -8.280 -1.677 1.00 0.00 H new ATOM 0 HB VAL A 93 3.558 -5.813 -2.627 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.420 -5.025 -3.556 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.993 -6.498 -4.375 1.00 0.00 H new ATOM 0 HG13 VAL A 93 0.680 -6.599 -3.179 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.960 -4.629 -1.177 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.243 -6.187 -0.703 1.00 0.00 H new ATOM 0 HG23 VAL A 93 2.927 -5.814 -0.266 1.00 0.00 H new ATOM 1436 N PHE A 94 2.067 -8.788 -4.197 1.00 0.00 N ATOM 1437 CA PHE A 94 2.156 -9.404 -5.516 1.00 0.00 C ATOM 1438 C PHE A 94 1.324 -8.630 -6.535 1.00 0.00 C ATOM 1439 O PHE A 94 0.096 -8.622 -6.470 1.00 0.00 O ATOM 1440 CB PHE A 94 1.684 -10.859 -5.456 1.00 0.00 C ATOM 1441 CG PHE A 94 2.247 -11.624 -4.292 1.00 0.00 C ATOM 1442 CD1 PHE A 94 1.709 -11.478 -3.024 1.00 0.00 C ATOM 1443 CD2 PHE A 94 3.315 -12.489 -4.467 1.00 0.00 C ATOM 1444 CE1 PHE A 94 2.225 -12.180 -1.952 1.00 0.00 C ATOM 1445 CE2 PHE A 94 3.836 -13.195 -3.398 1.00 0.00 C ATOM 1446 CZ PHE A 94 3.290 -13.040 -2.139 1.00 0.00 C ATOM 0 H PHE A 94 1.114 -8.650 -3.859 1.00 0.00 H new ATOM 0 HA PHE A 94 3.199 -9.380 -5.831 1.00 0.00 H new ATOM 0 HB2 PHE A 94 0.596 -10.878 -5.401 1.00 0.00 H new ATOM 0 HB3 PHE A 94 1.965 -11.362 -6.381 1.00 0.00 H new ATOM 0 HD1 PHE A 94 0.876 -10.807 -2.872 1.00 0.00 H new ATOM 0 HD2 PHE A 94 3.746 -12.613 -5.450 1.00 0.00 H new ATOM 0 HE1 PHE A 94 1.796 -12.057 -0.968 1.00 0.00 H new ATOM 0 HE2 PHE A 94 4.669 -13.866 -3.548 1.00 0.00 H new ATOM 0 HZ PHE A 94 3.695 -13.590 -1.302 1.00 0.00 H new ATOM 1456 N GLN A 95 2.005 -7.981 -7.474 1.00 0.00 N ATOM 1457 CA GLN A 95 1.330 -7.202 -8.506 1.00 0.00 C ATOM 1458 C GLN A 95 0.848 -8.103 -9.639 1.00 0.00 C ATOM 1459 O GLN A 95 1.637 -8.820 -10.252 1.00 0.00 O ATOM 1460 CB GLN A 95 2.266 -6.126 -9.057 1.00 0.00 C ATOM 1461 CG GLN A 95 2.562 -5.012 -8.066 1.00 0.00 C ATOM 1462 CD GLN A 95 3.230 -3.815 -8.715 1.00 0.00 C ATOM 1463 OE1 GLN A 95 3.437 -3.788 -9.928 1.00 0.00 O ATOM 1464 NE2 GLN A 95 3.570 -2.817 -7.908 1.00 0.00 N ATOM 0 H GLN A 95 3.023 -7.979 -7.542 1.00 0.00 H new ATOM 0 HA GLN A 95 0.463 -6.721 -8.054 1.00 0.00 H new ATOM 0 HB2 GLN A 95 3.204 -6.592 -9.358 1.00 0.00 H new ATOM 0 HB3 GLN A 95 1.822 -5.695 -9.954 1.00 0.00 H new ATOM 0 HG2 GLN A 95 1.632 -4.693 -7.595 1.00 0.00 H new ATOM 0 HG3 GLN A 95 3.205 -5.397 -7.274 1.00 0.00 H new ATOM 0 HE21 GLN A 95 3.379 -2.882 -6.908 1.00 0.00 H new ATOM 0 HE22 GLN A 95 4.022 -1.985 -8.288 1.00 0.00 H new ATOM 1473 N GLN A 96 -0.453 -8.059 -9.910 1.00 0.00 N ATOM 1474 CA GLN A 96 -1.039 -8.872 -10.969 1.00 0.00 C ATOM 1475 C GLN A 96 -1.193 -8.065 -12.253 1.00 0.00 C ATOM 1476 O GLN A 96 -1.724 -6.955 -12.239 1.00 0.00 O ATOM 1477 CB GLN A 96 -2.399 -9.417 -10.529 1.00 0.00 C ATOM 1478 CG GLN A 96 -2.839 -10.651 -11.300 1.00 0.00 C ATOM 1479 CD GLN A 96 -4.343 -10.840 -11.290 1.00 0.00 C ATOM 1480 OE1 GLN A 96 -4.980 -10.785 -10.238 1.00 0.00 O ATOM 1481 NE2 GLN A 96 -4.919 -11.065 -12.465 1.00 0.00 N ATOM 0 H GLN A 96 -1.120 -7.470 -9.412 1.00 0.00 H new ATOM 0 HA GLN A 96 -0.367 -9.707 -11.165 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -2.358 -9.658 -9.467 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -3.150 -8.636 -10.650 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -2.493 -10.573 -12.331 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -2.363 -11.532 -10.870 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -4.352 -11.102 -13.312 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -5.928 -11.200 -12.521 1.00 0.00 H new ATOM 1490 N GLN A 97 -0.724 -8.629 -13.361 1.00 0.00 N ATOM 1491 CA GLN A 97 -0.809 -7.960 -14.654 1.00 0.00 C ATOM 1492 C GLN A 97 -2.248 -7.564 -14.968 1.00 0.00 C ATOM 1493 O GLN A 97 -3.179 -8.340 -14.753 1.00 0.00 O ATOM 1494 CB GLN A 97 -0.265 -8.868 -15.759 1.00 0.00 C ATOM 1495 CG GLN A 97 -1.075 -10.139 -15.955 1.00 0.00 C ATOM 1496 CD GLN A 97 -0.894 -11.128 -14.821 1.00 0.00 C ATOM 1497 OE1 GLN A 97 0.213 -11.312 -14.313 1.00 0.00 O ATOM 1498 NE2 GLN A 97 -1.983 -11.771 -14.416 1.00 0.00 N ATOM 0 H GLN A 97 -0.281 -9.547 -13.390 1.00 0.00 H new ATOM 0 HA GLN A 97 -0.204 -7.055 -14.607 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -0.243 -8.313 -16.697 1.00 0.00 H new ATOM 0 HB3 GLN A 97 0.765 -9.136 -15.524 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -2.131 -9.882 -16.043 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -0.782 -10.611 -16.893 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -2.880 -11.588 -14.865 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -1.922 -12.448 -13.656 1.00 0.00 H new ATOM 1507 N THR A 98 -2.424 -6.349 -15.479 1.00 0.00 N ATOM 1508 CA THR A 98 -3.749 -5.848 -15.822 1.00 0.00 C ATOM 1509 C THR A 98 -3.881 -5.625 -17.324 1.00 0.00 C ATOM 1510 O THR A 98 -3.082 -4.910 -17.927 1.00 0.00 O ATOM 1511 CB THR A 98 -4.058 -4.529 -15.089 1.00 0.00 C ATOM 1512 OG1 THR A 98 -5.326 -4.018 -15.514 1.00 0.00 O ATOM 1513 CG2 THR A 98 -2.974 -3.496 -15.355 1.00 0.00 C ATOM 0 H THR A 98 -1.665 -5.694 -15.664 1.00 0.00 H new ATOM 0 HA THR A 98 -4.465 -6.607 -15.506 1.00 0.00 H new ATOM 0 HB THR A 98 -4.089 -4.732 -14.019 1.00 0.00 H new ATOM 0 HG1 THR A 98 -5.516 -3.180 -15.042 1.00 0.00 H new ATOM 0 HG21 THR A 98 -3.214 -2.573 -14.827 1.00 0.00 H new ATOM 0 HG22 THR A 98 -2.015 -3.876 -15.004 1.00 0.00 H new ATOM 0 HG23 THR A 98 -2.915 -3.297 -16.425 1.00 0.00 H new ATOM 1521 N SER A 99 -4.896 -6.241 -17.922 1.00 0.00 N ATOM 1522 CA SER A 99 -5.131 -6.111 -19.355 1.00 0.00 C ATOM 1523 C SER A 99 -5.349 -4.651 -19.740 1.00 0.00 C ATOM 1524 O SER A 99 -5.731 -3.829 -18.909 1.00 0.00 O ATOM 1525 CB SER A 99 -6.343 -6.947 -19.772 1.00 0.00 C ATOM 1526 OG SER A 99 -6.568 -6.857 -21.168 1.00 0.00 O ATOM 0 H SER A 99 -5.568 -6.835 -17.436 1.00 0.00 H new ATOM 0 HA SER A 99 -4.248 -6.478 -19.878 1.00 0.00 H new ATOM 0 HB2 SER A 99 -6.184 -7.988 -19.492 1.00 0.00 H new ATOM 0 HB3 SER A 99 -7.227 -6.604 -19.235 1.00 0.00 H new ATOM 0 HG SER A 99 -7.346 -7.401 -21.410 1.00 0.00 H new ATOM 1532 N GLY A 100 -5.102 -4.337 -21.009 1.00 0.00 N ATOM 1533 CA GLY A 100 -5.276 -2.977 -21.483 1.00 0.00 C ATOM 1534 C GLY A 100 -4.191 -2.045 -20.982 1.00 0.00 C ATOM 1535 O GLY A 100 -3.721 -2.156 -19.850 1.00 0.00 O ATOM 0 H GLY A 100 -4.785 -5.000 -21.716 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -5.279 -2.973 -22.573 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -6.248 -2.605 -21.160 1.00 0.00 H new ATOM 1539 N PRO A 101 -3.775 -1.100 -21.839 1.00 0.00 N ATOM 1540 CA PRO A 101 -2.732 -0.127 -21.499 1.00 0.00 C ATOM 1541 C PRO A 101 -3.200 0.884 -20.458 1.00 0.00 C ATOM 1542 O PRO A 101 -4.136 1.647 -20.696 1.00 0.00 O ATOM 1543 CB PRO A 101 -2.449 0.570 -22.832 1.00 0.00 C ATOM 1544 CG PRO A 101 -3.708 0.416 -23.614 1.00 0.00 C ATOM 1545 CD PRO A 101 -4.291 -0.908 -23.204 1.00 0.00 C ATOM 0 HA PRO A 101 -1.857 -0.605 -21.058 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -2.201 1.621 -22.684 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -1.604 0.112 -23.347 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -4.401 1.230 -23.402 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -3.507 0.439 -24.685 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -5.381 -0.890 -23.223 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -3.974 -1.710 -23.870 1.00 0.00 H new ATOM 1553 N SER A 102 -2.542 0.885 -19.303 1.00 0.00 N ATOM 1554 CA SER A 102 -2.893 1.801 -18.224 1.00 0.00 C ATOM 1555 C SER A 102 -1.851 2.908 -18.091 1.00 0.00 C ATOM 1556 O SER A 102 -2.186 4.093 -18.083 1.00 0.00 O ATOM 1557 CB SER A 102 -3.017 1.041 -16.902 1.00 0.00 C ATOM 1558 OG SER A 102 -1.857 0.270 -16.646 1.00 0.00 O ATOM 0 H SER A 102 -1.763 0.262 -19.090 1.00 0.00 H new ATOM 0 HA SER A 102 -3.854 2.257 -18.465 1.00 0.00 H new ATOM 0 HB2 SER A 102 -3.175 1.747 -16.087 1.00 0.00 H new ATOM 0 HB3 SER A 102 -3.890 0.390 -16.934 1.00 0.00 H new ATOM 0 HG SER A 102 -1.961 -0.204 -15.795 1.00 0.00 H new ATOM 1564 N SER A 103 -0.587 2.513 -17.987 1.00 0.00 N ATOM 1565 CA SER A 103 0.505 3.471 -17.851 1.00 0.00 C ATOM 1566 C SER A 103 0.194 4.498 -16.766 1.00 0.00 C ATOM 1567 O SER A 103 0.448 5.690 -16.933 1.00 0.00 O ATOM 1568 CB SER A 103 0.759 4.180 -19.182 1.00 0.00 C ATOM 1569 OG SER A 103 2.094 4.649 -19.264 1.00 0.00 O ATOM 0 H SER A 103 -0.293 1.536 -17.994 1.00 0.00 H new ATOM 0 HA SER A 103 1.402 2.923 -17.563 1.00 0.00 H new ATOM 0 HB2 SER A 103 0.560 3.495 -20.006 1.00 0.00 H new ATOM 0 HB3 SER A 103 0.069 5.017 -19.289 1.00 0.00 H new ATOM 0 HG SER A 103 2.231 5.097 -20.125 1.00 0.00 H new ATOM 1575 N GLY A 104 -0.358 4.025 -15.653 1.00 0.00 N ATOM 1576 CA GLY A 104 -0.696 4.914 -14.556 1.00 0.00 C ATOM 1577 C GLY A 104 -1.968 4.500 -13.845 1.00 0.00 C ATOM 1578 O GLY A 104 -2.656 3.574 -14.277 1.00 0.00 O ATOM 0 H GLY A 104 -0.577 3.042 -15.491 1.00 0.00 H new ATOM 0 HA2 GLY A 104 0.127 4.933 -13.841 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -0.810 5.929 -14.937 1.00 0.00 H new TER 1582 GLY A 104