USER MOD reduce.3.24.130724 H: found=0, std=0, add=488, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 484 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 25 THR OG1 : rot 180:sc= -0.293 USER MOD Set 1.2: A 26 SER OG : rot 150:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 59:sc= 0.296 USER MOD Single : A 3 SER OG : rot 48:sc= 1.02 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 64:sc= 0.00776 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HD1:sc= -0.162 X(o=-0.16,f=0) USER MOD Single : A 12 MET CE :methyl 172:sc= -0.0226 (180deg=-0.0511) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 HIS :FLIP no HD1:sc= -4.44! C(o=-5.3!,f=-4.4!) USER MOD Single : A 24 GLN : amide:sc=-0.00726 X(o=-0.0073,f=0) USER MOD Single : A 30 GLN : amide:sc= -0.122 X(o=-0.12,f=-0.42) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 150:sc= -0.706 USER MOD Single : A 35 THR OG1 : rot 83:sc= 1.01 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -161:sc= 0.0584 (180deg=-0.156) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 64:sc= -0.393 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 78:sc= 0.937 USER MOD Single : A 66 ASN : amide:sc= 1.01 K(o=1,f=-0.43) USER MOD Single : A 67 ASN : amide:sc= -4.45! C(o=-4.4!,f=-6.5!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 30:sc= 0.771 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -39.830 -32.410 -7.591 1.00 0.00 N ATOM 2 CA GLY A 1 -39.677 -32.565 -9.028 1.00 0.00 C ATOM 3 C GLY A 1 -38.386 -31.905 -9.516 1.00 0.00 C ATOM 4 O GLY A 1 -37.428 -32.592 -9.866 1.00 0.00 O ATOM 0 H1 GLY A 1 -40.713 -32.866 -7.285 1.00 0.00 H new ATOM 0 H2 GLY A 1 -39.024 -32.855 -7.106 1.00 0.00 H new ATOM 0 H3 GLY A 1 -39.862 -31.398 -7.352 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -39.667 -33.624 -9.284 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -40.532 -32.121 -9.538 1.00 0.00 H new ATOM 8 N SER A 2 -38.402 -30.580 -9.524 1.00 0.00 N ATOM 9 CA SER A 2 -37.244 -29.820 -9.964 1.00 0.00 C ATOM 10 C SER A 2 -37.518 -28.322 -9.823 1.00 0.00 C ATOM 11 O SER A 2 -38.630 -27.863 -10.080 1.00 0.00 O ATOM 12 CB SER A 2 -36.880 -30.160 -11.410 1.00 0.00 C ATOM 13 OG SER A 2 -35.705 -30.963 -11.491 1.00 0.00 O ATOM 0 H SER A 2 -39.199 -30.013 -9.233 1.00 0.00 H new ATOM 0 HA SER A 2 -36.397 -30.089 -9.332 1.00 0.00 H new ATOM 0 HB2 SER A 2 -37.712 -30.686 -11.879 1.00 0.00 H new ATOM 0 HB3 SER A 2 -36.729 -29.238 -11.972 1.00 0.00 H new ATOM 0 HG SER A 2 -35.840 -31.792 -10.985 1.00 0.00 H new ATOM 19 N SER A 3 -36.485 -27.600 -9.415 1.00 0.00 N ATOM 20 CA SER A 3 -36.599 -26.162 -9.237 1.00 0.00 C ATOM 21 C SER A 3 -35.209 -25.540 -9.092 1.00 0.00 C ATOM 22 O SER A 3 -34.744 -25.304 -7.978 1.00 0.00 O ATOM 23 CB SER A 3 -37.462 -25.825 -8.019 1.00 0.00 C ATOM 24 OG SER A 3 -36.866 -26.271 -6.803 1.00 0.00 O ATOM 0 H SER A 3 -35.564 -27.984 -9.202 1.00 0.00 H new ATOM 0 HA SER A 3 -37.085 -25.746 -10.119 1.00 0.00 H new ATOM 0 HB2 SER A 3 -37.618 -24.747 -7.972 1.00 0.00 H new ATOM 0 HB3 SER A 3 -38.444 -26.285 -8.132 1.00 0.00 H new ATOM 0 HG SER A 3 -35.927 -25.990 -6.777 1.00 0.00 H new ATOM 30 N GLY A 4 -34.584 -25.293 -10.234 1.00 0.00 N ATOM 31 CA GLY A 4 -33.257 -24.703 -10.248 1.00 0.00 C ATOM 32 C GLY A 4 -33.324 -23.209 -10.571 1.00 0.00 C ATOM 33 O GLY A 4 -34.175 -22.493 -10.044 1.00 0.00 O ATOM 0 H GLY A 4 -34.973 -25.491 -11.156 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -32.781 -24.848 -9.278 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -32.637 -25.211 -10.987 1.00 0.00 H new ATOM 37 N SER A 5 -32.416 -22.782 -11.436 1.00 0.00 N ATOM 38 CA SER A 5 -32.362 -21.386 -11.836 1.00 0.00 C ATOM 39 C SER A 5 -32.457 -20.484 -10.603 1.00 0.00 C ATOM 40 O SER A 5 -33.552 -20.101 -10.194 1.00 0.00 O ATOM 41 CB SER A 5 -33.480 -21.052 -12.825 1.00 0.00 C ATOM 42 OG SER A 5 -33.037 -21.132 -14.178 1.00 0.00 O ATOM 0 H SER A 5 -31.712 -23.378 -11.871 1.00 0.00 H new ATOM 0 HA SER A 5 -31.409 -21.210 -12.335 1.00 0.00 H new ATOM 0 HB2 SER A 5 -34.314 -21.738 -12.675 1.00 0.00 H new ATOM 0 HB3 SER A 5 -33.854 -20.048 -12.624 1.00 0.00 H new ATOM 0 HG SER A 5 -33.780 -20.914 -14.779 1.00 0.00 H new ATOM 48 N SER A 6 -31.296 -20.172 -10.046 1.00 0.00 N ATOM 49 CA SER A 6 -31.235 -19.323 -8.869 1.00 0.00 C ATOM 50 C SER A 6 -29.778 -19.086 -8.470 1.00 0.00 C ATOM 51 O SER A 6 -29.324 -17.944 -8.411 1.00 0.00 O ATOM 52 CB SER A 6 -32.011 -19.940 -7.704 1.00 0.00 C ATOM 53 OG SER A 6 -33.133 -19.145 -7.329 1.00 0.00 O ATOM 0 H SER A 6 -30.390 -20.492 -10.388 1.00 0.00 H new ATOM 0 HA SER A 6 -31.698 -18.367 -9.113 1.00 0.00 H new ATOM 0 HB2 SER A 6 -32.350 -20.938 -7.983 1.00 0.00 H new ATOM 0 HB3 SER A 6 -31.347 -20.057 -6.848 1.00 0.00 H new ATOM 0 HG SER A 6 -33.771 -19.109 -8.072 1.00 0.00 H new ATOM 59 N GLY A 7 -29.084 -20.183 -8.205 1.00 0.00 N ATOM 60 CA GLY A 7 -27.687 -20.109 -7.812 1.00 0.00 C ATOM 61 C GLY A 7 -27.538 -19.460 -6.435 1.00 0.00 C ATOM 62 O GLY A 7 -28.359 -19.684 -5.547 1.00 0.00 O ATOM 0 H GLY A 7 -29.463 -21.129 -8.255 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -27.257 -21.110 -7.794 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -27.128 -19.535 -8.551 1.00 0.00 H new ATOM 66 N LEU A 8 -26.484 -18.668 -6.300 1.00 0.00 N ATOM 67 CA LEU A 8 -26.217 -17.985 -5.046 1.00 0.00 C ATOM 68 C LEU A 8 -25.032 -17.035 -5.230 1.00 0.00 C ATOM 69 O LEU A 8 -24.147 -17.292 -6.045 1.00 0.00 O ATOM 70 CB LEU A 8 -26.024 -18.997 -3.915 1.00 0.00 C ATOM 71 CG LEU A 8 -26.753 -18.687 -2.606 1.00 0.00 C ATOM 72 CD1 LEU A 8 -27.593 -19.881 -2.150 1.00 0.00 C ATOM 73 CD2 LEU A 8 -25.770 -18.231 -1.525 1.00 0.00 C ATOM 0 H LEU A 8 -25.805 -18.484 -7.039 1.00 0.00 H new ATOM 0 HA LEU A 8 -27.072 -17.376 -4.755 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -26.353 -19.974 -4.268 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -24.958 -19.077 -3.704 1.00 0.00 H new ATOM 0 HG LEU A 8 -27.440 -17.860 -2.786 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -28.100 -19.634 -1.218 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -28.333 -20.118 -2.914 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -26.945 -20.743 -1.993 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -26.314 -18.017 -0.605 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -25.041 -19.020 -1.340 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -25.254 -17.331 -1.859 1.00 0.00 H new ATOM 85 N LEU A 9 -25.052 -15.958 -4.459 1.00 0.00 N ATOM 86 CA LEU A 9 -23.990 -14.969 -4.526 1.00 0.00 C ATOM 87 C LEU A 9 -23.993 -14.135 -3.243 1.00 0.00 C ATOM 88 O LEU A 9 -24.914 -13.355 -3.008 1.00 0.00 O ATOM 89 CB LEU A 9 -24.116 -14.134 -5.802 1.00 0.00 C ATOM 90 CG LEU A 9 -23.152 -14.492 -6.936 1.00 0.00 C ATOM 91 CD1 LEU A 9 -23.827 -14.332 -8.300 1.00 0.00 C ATOM 92 CD2 LEU A 9 -21.861 -13.677 -6.836 1.00 0.00 C ATOM 0 H LEU A 9 -25.788 -15.748 -3.784 1.00 0.00 H new ATOM 0 HA LEU A 9 -23.018 -15.458 -4.586 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -25.136 -14.229 -6.175 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -23.967 -13.086 -5.543 1.00 0.00 H new ATOM 0 HG LEU A 9 -22.878 -15.542 -6.833 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -23.121 -14.592 -9.088 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -24.693 -14.991 -8.357 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -24.148 -13.298 -8.428 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -21.194 -13.951 -7.653 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -22.096 -12.614 -6.899 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -21.373 -13.884 -5.884 1.00 0.00 H new ATOM 104 N SER A 10 -22.951 -14.328 -2.448 1.00 0.00 N ATOM 105 CA SER A 10 -22.821 -13.604 -1.195 1.00 0.00 C ATOM 106 C SER A 10 -21.466 -12.897 -1.136 1.00 0.00 C ATOM 107 O SER A 10 -20.481 -13.389 -1.687 1.00 0.00 O ATOM 108 CB SER A 10 -22.983 -14.542 0.003 1.00 0.00 C ATOM 109 OG SER A 10 -23.083 -13.827 1.231 1.00 0.00 O ATOM 0 H SER A 10 -22.189 -14.976 -2.647 1.00 0.00 H new ATOM 0 HA SER A 10 -23.615 -12.858 -1.148 1.00 0.00 H new ATOM 0 HB2 SER A 10 -23.875 -15.154 -0.134 1.00 0.00 H new ATOM 0 HB3 SER A 10 -22.133 -15.223 0.048 1.00 0.00 H new ATOM 0 HG SER A 10 -23.187 -14.461 1.971 1.00 0.00 H new ATOM 115 N HIS A 11 -21.458 -11.755 -0.465 1.00 0.00 N ATOM 116 CA HIS A 11 -20.239 -10.976 -0.327 1.00 0.00 C ATOM 117 C HIS A 11 -20.246 -10.246 1.017 1.00 0.00 C ATOM 118 O HIS A 11 -20.574 -9.062 1.082 1.00 0.00 O ATOM 119 CB HIS A 11 -20.063 -10.029 -1.516 1.00 0.00 C ATOM 120 CG HIS A 11 -18.625 -9.670 -1.807 1.00 0.00 C ATOM 121 ND1 HIS A 11 -18.213 -8.373 -2.058 1.00 0.00 N ATOM 122 CD2 HIS A 11 -17.509 -10.451 -1.884 1.00 0.00 C ATOM 123 CE1 HIS A 11 -16.906 -8.384 -2.275 1.00 0.00 C ATOM 124 NE2 HIS A 11 -16.472 -9.673 -2.167 1.00 0.00 N ATOM 0 H HIS A 11 -22.277 -11.350 -0.011 1.00 0.00 H new ATOM 0 HA HIS A 11 -19.375 -11.640 -0.335 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -20.498 -10.490 -2.402 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -20.624 -9.114 -1.325 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -17.475 -11.521 -1.739 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -16.292 -7.524 -2.498 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -15.509 -9.987 -2.284 1.00 0.00 H new ATOM 132 N MET A 12 -19.880 -10.981 2.056 1.00 0.00 N ATOM 133 CA MET A 12 -19.840 -10.418 3.395 1.00 0.00 C ATOM 134 C MET A 12 -18.405 -10.076 3.803 1.00 0.00 C ATOM 135 O MET A 12 -17.462 -10.752 3.395 1.00 0.00 O ATOM 136 CB MET A 12 -20.427 -11.422 4.389 1.00 0.00 C ATOM 137 CG MET A 12 -21.683 -10.859 5.059 1.00 0.00 C ATOM 138 SD MET A 12 -23.142 -11.460 4.224 1.00 0.00 S ATOM 139 CE MET A 12 -23.469 -10.081 3.140 1.00 0.00 C ATOM 0 H MET A 12 -19.608 -11.962 1.998 1.00 0.00 H new ATOM 0 HA MET A 12 -20.429 -9.501 3.401 1.00 0.00 H new ATOM 0 HB2 MET A 12 -20.671 -12.350 3.873 1.00 0.00 H new ATOM 0 HB3 MET A 12 -19.683 -11.665 5.148 1.00 0.00 H new ATOM 0 HG2 MET A 12 -21.708 -11.152 6.109 1.00 0.00 H new ATOM 0 HG3 MET A 12 -21.662 -9.770 5.033 1.00 0.00 H new ATOM 0 HE1 MET A 12 -24.265 -10.346 2.444 1.00 0.00 H new ATOM 0 HE2 MET A 12 -23.776 -9.218 3.731 1.00 0.00 H new ATOM 0 HE3 MET A 12 -22.566 -9.835 2.582 1.00 0.00 H new ATOM 149 N ASP A 13 -18.286 -9.026 4.602 1.00 0.00 N ATOM 150 CA ASP A 13 -16.983 -8.585 5.070 1.00 0.00 C ATOM 151 C ASP A 13 -17.121 -8.005 6.479 1.00 0.00 C ATOM 152 O ASP A 13 -18.187 -7.518 6.852 1.00 0.00 O ATOM 153 CB ASP A 13 -16.413 -7.493 4.162 1.00 0.00 C ATOM 154 CG ASP A 13 -15.554 -8.000 3.002 1.00 0.00 C ATOM 155 OD1 ASP A 13 -15.130 -9.174 3.080 1.00 0.00 O ATOM 156 OD2 ASP A 13 -15.341 -7.203 2.063 1.00 0.00 O ATOM 0 H ASP A 13 -19.071 -8.468 4.937 1.00 0.00 H new ATOM 0 HA ASP A 13 -16.313 -9.445 5.064 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -17.240 -6.912 3.755 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -15.814 -6.814 4.768 1.00 0.00 H new ATOM 161 N ASP A 14 -16.027 -8.075 7.223 1.00 0.00 N ATOM 162 CA ASP A 14 -16.012 -7.563 8.582 1.00 0.00 C ATOM 163 C ASP A 14 -14.564 -7.345 9.025 1.00 0.00 C ATOM 164 O ASP A 14 -13.690 -8.155 8.722 1.00 0.00 O ATOM 165 CB ASP A 14 -16.659 -8.554 9.551 1.00 0.00 C ATOM 166 CG ASP A 14 -16.418 -10.029 9.224 1.00 0.00 C ATOM 167 OD1 ASP A 14 -15.606 -10.282 8.308 1.00 0.00 O ATOM 168 OD2 ASP A 14 -17.051 -10.871 9.897 1.00 0.00 O ATOM 0 H ASP A 14 -15.144 -8.479 6.910 1.00 0.00 H new ATOM 0 HA ASP A 14 -16.571 -6.628 8.596 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -16.285 -8.354 10.555 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -17.734 -8.372 9.569 1.00 0.00 H new ATOM 173 N PRO A 15 -14.349 -6.217 9.754 1.00 0.00 N ATOM 174 CA PRO A 15 -13.022 -5.882 10.242 1.00 0.00 C ATOM 175 C PRO A 15 -12.636 -6.766 11.430 1.00 0.00 C ATOM 176 O PRO A 15 -11.494 -6.734 11.886 1.00 0.00 O ATOM 177 CB PRO A 15 -13.094 -4.407 10.598 1.00 0.00 C ATOM 178 CG PRO A 15 -14.573 -4.083 10.736 1.00 0.00 C ATOM 179 CD PRO A 15 -15.361 -5.234 10.132 1.00 0.00 C ATOM 0 HA PRO A 15 -12.243 -6.061 9.500 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -12.561 -4.203 11.527 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -12.631 -3.795 9.824 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -14.838 -3.948 11.785 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -14.809 -3.149 10.225 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -16.068 -5.650 10.850 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -15.939 -4.908 9.267 1.00 0.00 H new ATOM 187 N ASP A 16 -13.609 -7.533 11.897 1.00 0.00 N ATOM 188 CA ASP A 16 -13.385 -8.424 13.023 1.00 0.00 C ATOM 189 C ASP A 16 -14.169 -9.720 12.807 1.00 0.00 C ATOM 190 O ASP A 16 -15.378 -9.763 13.027 1.00 0.00 O ATOM 191 CB ASP A 16 -13.869 -7.792 14.330 1.00 0.00 C ATOM 192 CG ASP A 16 -13.931 -8.745 15.525 1.00 0.00 C ATOM 193 OD1 ASP A 16 -14.956 -9.451 15.636 1.00 0.00 O ATOM 194 OD2 ASP A 16 -12.951 -8.746 16.301 1.00 0.00 O ATOM 0 H ASP A 16 -14.555 -7.556 11.516 1.00 0.00 H new ATOM 0 HA ASP A 16 -12.315 -8.619 13.090 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -13.209 -6.962 14.581 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -14.862 -7.372 14.167 1.00 0.00 H new ATOM 199 N ILE A 17 -13.447 -10.745 12.377 1.00 0.00 N ATOM 200 CA ILE A 17 -14.059 -12.039 12.128 1.00 0.00 C ATOM 201 C ILE A 17 -13.780 -12.967 13.312 1.00 0.00 C ATOM 202 O ILE A 17 -13.864 -12.550 14.466 1.00 0.00 O ATOM 203 CB ILE A 17 -13.596 -12.601 10.783 1.00 0.00 C ATOM 204 CG1 ILE A 17 -13.334 -11.476 9.779 1.00 0.00 C ATOM 205 CG2 ILE A 17 -14.593 -13.629 10.245 1.00 0.00 C ATOM 206 CD1 ILE A 17 -13.292 -12.017 8.348 1.00 0.00 C ATOM 0 H ILE A 17 -12.444 -10.705 12.195 1.00 0.00 H new ATOM 0 HA ILE A 17 -15.142 -11.939 12.049 1.00 0.00 H new ATOM 0 HB ILE A 17 -12.650 -13.121 10.938 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -14.114 -10.720 9.863 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -12.389 -10.986 10.014 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -14.239 -14.012 9.288 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -14.685 -14.452 10.954 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -15.566 -13.156 10.109 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -13.104 -11.197 7.654 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -12.495 -12.755 8.261 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -14.247 -12.484 8.108 1.00 0.00 H new ATOM 218 N ASP A 18 -13.452 -14.208 12.985 1.00 0.00 N ATOM 219 CA ASP A 18 -13.159 -15.199 14.007 1.00 0.00 C ATOM 220 C ASP A 18 -11.692 -15.618 13.900 1.00 0.00 C ATOM 221 O ASP A 18 -11.392 -16.765 13.571 1.00 0.00 O ATOM 222 CB ASP A 18 -14.022 -16.449 13.825 1.00 0.00 C ATOM 223 CG ASP A 18 -15.364 -16.421 14.560 1.00 0.00 C ATOM 224 OD1 ASP A 18 -15.671 -15.357 15.140 1.00 0.00 O ATOM 225 OD2 ASP A 18 -16.053 -17.463 14.524 1.00 0.00 O ATOM 0 H ASP A 18 -13.383 -14.550 12.027 1.00 0.00 H new ATOM 0 HA ASP A 18 -13.370 -14.753 14.979 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -14.211 -16.590 12.761 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -13.456 -17.316 14.166 1.00 0.00 H new ATOM 230 N ALA A 19 -10.815 -14.665 14.183 1.00 0.00 N ATOM 231 CA ALA A 19 -9.386 -14.921 14.122 1.00 0.00 C ATOM 232 C ALA A 19 -8.634 -13.733 14.725 1.00 0.00 C ATOM 233 O ALA A 19 -9.247 -12.747 15.130 1.00 0.00 O ATOM 234 CB ALA A 19 -8.978 -15.195 12.673 1.00 0.00 C ATOM 0 H ALA A 19 -11.067 -13.715 14.455 1.00 0.00 H new ATOM 0 HA ALA A 19 -9.129 -15.805 14.706 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.906 -15.387 12.627 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -9.519 -16.065 12.301 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -9.218 -14.328 12.057 1.00 0.00 H new ATOM 240 N PRO A 20 -7.282 -13.871 14.768 1.00 0.00 N ATOM 241 CA PRO A 20 -6.439 -12.822 15.315 1.00 0.00 C ATOM 242 C PRO A 20 -6.323 -11.648 14.341 1.00 0.00 C ATOM 243 O PRO A 20 -7.149 -11.500 13.441 1.00 0.00 O ATOM 244 CB PRO A 20 -5.105 -13.494 15.596 1.00 0.00 C ATOM 245 CG PRO A 20 -5.100 -14.770 14.771 1.00 0.00 C ATOM 246 CD PRO A 20 -6.522 -15.026 14.298 1.00 0.00 C ATOM 0 HA PRO A 20 -6.849 -12.386 16.226 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -4.274 -12.845 15.317 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -4.995 -13.715 16.658 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -4.427 -14.671 13.920 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -4.739 -15.608 15.367 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -6.568 -15.116 13.213 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -6.916 -15.954 14.712 1.00 0.00 H new ATOM 254 N ILE A 21 -5.292 -10.843 14.553 1.00 0.00 N ATOM 255 CA ILE A 21 -5.058 -9.687 13.705 1.00 0.00 C ATOM 256 C ILE A 21 -3.649 -9.771 13.114 1.00 0.00 C ATOM 257 O ILE A 21 -3.120 -10.863 12.912 1.00 0.00 O ATOM 258 CB ILE A 21 -5.325 -8.394 14.476 1.00 0.00 C ATOM 259 CG1 ILE A 21 -6.341 -8.623 15.597 1.00 0.00 C ATOM 260 CG2 ILE A 21 -5.759 -7.271 13.531 1.00 0.00 C ATOM 261 CD1 ILE A 21 -5.642 -9.028 16.896 1.00 0.00 C ATOM 0 H ILE A 21 -4.609 -10.969 15.300 1.00 0.00 H new ATOM 0 HA ILE A 21 -5.756 -9.681 12.868 1.00 0.00 H new ATOM 0 HB ILE A 21 -4.393 -8.079 14.945 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -6.920 -7.714 15.759 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -7.045 -9.401 15.301 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -5.942 -6.363 14.105 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -4.972 -7.086 12.800 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -6.673 -7.564 13.013 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -6.387 -9.185 17.676 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -5.084 -9.951 16.737 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -4.957 -8.238 17.202 1.00 0.00 H new ATOM 273 N SER A 22 -3.081 -8.603 12.853 1.00 0.00 N ATOM 274 CA SER A 22 -1.743 -8.530 12.290 1.00 0.00 C ATOM 275 C SER A 22 -1.740 -9.109 10.874 1.00 0.00 C ATOM 276 O SER A 22 -1.646 -8.368 9.897 1.00 0.00 O ATOM 277 CB SER A 22 -0.734 -9.272 13.169 1.00 0.00 C ATOM 278 OG SER A 22 0.594 -9.164 12.664 1.00 0.00 O ATOM 0 H SER A 22 -3.523 -7.699 13.021 1.00 0.00 H new ATOM 0 HA SER A 22 -1.446 -7.482 12.248 1.00 0.00 H new ATOM 0 HB2 SER A 22 -0.771 -8.870 14.182 1.00 0.00 H new ATOM 0 HB3 SER A 22 -1.013 -10.324 13.233 1.00 0.00 H new ATOM 0 HG SER A 22 1.209 -9.649 13.253 1.00 0.00 H new ATOM 284 N HIS A 23 -1.843 -10.428 10.808 1.00 0.00 N ATOM 285 CA HIS A 23 -1.854 -11.115 9.527 1.00 0.00 C ATOM 286 C HIS A 23 -0.511 -10.909 8.824 1.00 0.00 C ATOM 287 O HIS A 23 0.300 -10.090 9.254 1.00 0.00 O ATOM 288 CB HIS A 23 -3.043 -10.664 8.678 1.00 0.00 C ATOM 289 CG HIS A 23 -2.758 -9.460 7.812 1.00 0.00 C ATOM 290 ND1 HIS A 23 -1.891 -9.296 6.772 1.00 0.00 N flip ATOM 291 CD2 HIS A 23 -3.404 -8.247 7.978 1.00 0.00 C flip ATOM 292 CE1 HIS A 23 -2.002 -8.051 6.326 1.00 0.00 C flip ATOM 293 NE2 HIS A 23 -2.938 -7.399 7.073 1.00 0.00 N flip ATOM 0 H HIS A 23 -1.920 -11.040 11.621 1.00 0.00 H new ATOM 0 HA HIS A 23 -1.982 -12.186 9.686 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -3.356 -11.491 8.041 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -3.881 -10.435 9.337 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -4.159 -8.029 8.719 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -1.443 -7.624 5.506 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -3.229 -6.428 6.956 1.00 0.00 H new ATOM 301 N GLN A 24 -0.317 -11.666 7.754 1.00 0.00 N ATOM 302 CA GLN A 24 0.913 -11.576 6.986 1.00 0.00 C ATOM 303 C GLN A 24 0.793 -12.386 5.694 1.00 0.00 C ATOM 304 O GLN A 24 1.347 -13.479 5.588 1.00 0.00 O ATOM 305 CB GLN A 24 2.112 -12.042 7.816 1.00 0.00 C ATOM 306 CG GLN A 24 3.397 -11.351 7.357 1.00 0.00 C ATOM 307 CD GLN A 24 4.403 -11.247 8.506 1.00 0.00 C ATOM 308 OE1 GLN A 24 5.398 -11.951 8.560 1.00 0.00 O ATOM 309 NE2 GLN A 24 4.089 -10.331 9.418 1.00 0.00 N ATOM 0 H GLN A 24 -0.991 -12.345 7.401 1.00 0.00 H new ATOM 0 HA GLN A 24 1.078 -10.531 6.722 1.00 0.00 H new ATOM 0 HB2 GLN A 24 1.935 -11.827 8.870 1.00 0.00 H new ATOM 0 HB3 GLN A 24 2.224 -13.123 7.726 1.00 0.00 H new ATOM 0 HG2 GLN A 24 3.839 -11.908 6.531 1.00 0.00 H new ATOM 0 HG3 GLN A 24 3.164 -10.355 6.981 1.00 0.00 H new ATOM 0 HE21 GLN A 24 3.240 -9.775 9.312 1.00 0.00 H new ATOM 0 HE22 GLN A 24 4.697 -10.184 10.224 1.00 0.00 H new ATOM 318 N THR A 25 0.065 -11.818 4.743 1.00 0.00 N ATOM 319 CA THR A 25 -0.135 -12.474 3.462 1.00 0.00 C ATOM 320 C THR A 25 -0.072 -11.452 2.325 1.00 0.00 C ATOM 321 O THR A 25 -0.113 -10.247 2.565 1.00 0.00 O ATOM 322 CB THR A 25 -1.461 -13.235 3.522 1.00 0.00 C ATOM 323 OG1 THR A 25 -1.556 -13.867 2.249 1.00 0.00 O ATOM 324 CG2 THR A 25 -2.671 -12.300 3.566 1.00 0.00 C ATOM 0 H THR A 25 -0.393 -10.911 4.834 1.00 0.00 H new ATOM 0 HA THR A 25 0.659 -13.192 3.257 1.00 0.00 H new ATOM 0 HB THR A 25 -1.470 -13.881 4.400 1.00 0.00 H new ATOM 0 HG1 THR A 25 -2.387 -14.384 2.202 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.586 -12.891 3.608 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.608 -11.665 4.450 1.00 0.00 H new ATOM 0 HG23 THR A 25 -2.682 -11.677 2.672 1.00 0.00 H new ATOM 332 N SER A 26 0.027 -11.972 1.110 1.00 0.00 N ATOM 333 CA SER A 26 0.096 -11.120 -0.065 1.00 0.00 C ATOM 334 C SER A 26 1.324 -10.212 0.019 1.00 0.00 C ATOM 335 O SER A 26 1.834 -9.950 1.107 1.00 0.00 O ATOM 336 CB SER A 26 -1.175 -10.282 -0.213 1.00 0.00 C ATOM 337 OG SER A 26 -2.354 -11.069 -0.062 1.00 0.00 O ATOM 0 H SER A 26 0.061 -12.972 0.914 1.00 0.00 H new ATOM 0 HA SER A 26 0.183 -11.757 -0.945 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.173 -9.486 0.531 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.182 -9.803 -1.192 1.00 0.00 H new ATOM 0 HG SER A 26 -3.071 -10.515 0.311 1.00 0.00 H new ATOM 343 N ASP A 27 1.764 -9.756 -1.145 1.00 0.00 N ATOM 344 CA ASP A 27 2.923 -8.882 -1.217 1.00 0.00 C ATOM 345 C ASP A 27 2.455 -7.437 -1.396 1.00 0.00 C ATOM 346 O ASP A 27 3.210 -6.591 -1.875 1.00 0.00 O ATOM 347 CB ASP A 27 3.811 -9.243 -2.409 1.00 0.00 C ATOM 348 CG ASP A 27 5.208 -9.750 -2.045 1.00 0.00 C ATOM 349 OD1 ASP A 27 5.839 -9.103 -1.182 1.00 0.00 O ATOM 350 OD2 ASP A 27 5.613 -10.773 -2.638 1.00 0.00 O ATOM 0 H ASP A 27 1.339 -9.975 -2.046 1.00 0.00 H new ATOM 0 HA ASP A 27 3.492 -8.999 -0.295 1.00 0.00 H new ATOM 0 HB2 ASP A 27 3.306 -10.007 -3.000 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.914 -8.364 -3.045 1.00 0.00 H new ATOM 355 N ILE A 28 1.213 -7.197 -1.002 1.00 0.00 N ATOM 356 CA ILE A 28 0.637 -5.868 -1.113 1.00 0.00 C ATOM 357 C ILE A 28 1.521 -4.868 -0.364 1.00 0.00 C ATOM 358 O ILE A 28 1.510 -4.825 0.865 1.00 0.00 O ATOM 359 CB ILE A 28 -0.819 -5.874 -0.642 1.00 0.00 C ATOM 360 CG1 ILE A 28 -1.670 -6.809 -1.504 1.00 0.00 C ATOM 361 CG2 ILE A 28 -1.389 -4.455 -0.602 1.00 0.00 C ATOM 362 CD1 ILE A 28 -3.069 -6.981 -0.910 1.00 0.00 C ATOM 0 H ILE A 28 0.590 -7.900 -0.606 1.00 0.00 H new ATOM 0 HA ILE A 28 0.610 -5.551 -2.156 1.00 0.00 H new ATOM 0 HB ILE A 28 -0.846 -6.260 0.377 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -1.747 -6.408 -2.515 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.183 -7.781 -1.583 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.425 -4.488 -0.264 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -0.802 -3.846 0.086 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.347 -4.018 -1.600 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.653 -7.650 -1.542 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.990 -7.405 0.091 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.563 -6.011 -0.855 1.00 0.00 H new ATOM 374 N ASP A 29 2.264 -4.090 -1.137 1.00 0.00 N ATOM 375 CA ASP A 29 3.153 -3.094 -0.562 1.00 0.00 C ATOM 376 C ASP A 29 2.343 -2.147 0.326 1.00 0.00 C ATOM 377 O ASP A 29 1.248 -1.727 -0.046 1.00 0.00 O ATOM 378 CB ASP A 29 3.825 -2.260 -1.654 1.00 0.00 C ATOM 379 CG ASP A 29 4.299 -3.053 -2.874 1.00 0.00 C ATOM 380 OD1 ASP A 29 5.300 -3.786 -2.720 1.00 0.00 O ATOM 381 OD2 ASP A 29 3.650 -2.908 -3.932 1.00 0.00 O ATOM 0 H ASP A 29 2.269 -4.129 -2.156 1.00 0.00 H new ATOM 0 HA ASP A 29 3.917 -3.616 0.014 1.00 0.00 H new ATOM 0 HB2 ASP A 29 3.125 -1.494 -1.987 1.00 0.00 H new ATOM 0 HB3 ASP A 29 4.681 -1.743 -1.220 1.00 0.00 H new ATOM 386 N GLN A 30 2.913 -1.838 1.481 1.00 0.00 N ATOM 387 CA GLN A 30 2.258 -0.948 2.424 1.00 0.00 C ATOM 388 C GLN A 30 2.113 0.450 1.822 1.00 0.00 C ATOM 389 O GLN A 30 1.121 1.136 2.066 1.00 0.00 O ATOM 390 CB GLN A 30 3.020 -0.898 3.750 1.00 0.00 C ATOM 391 CG GLN A 30 2.250 -0.088 4.795 1.00 0.00 C ATOM 392 CD GLN A 30 1.221 -0.961 5.517 1.00 0.00 C ATOM 393 OE1 GLN A 30 1.493 -2.080 5.920 1.00 0.00 O ATOM 394 NE2 GLN A 30 0.029 -0.389 5.656 1.00 0.00 N ATOM 0 H GLN A 30 3.821 -2.188 1.785 1.00 0.00 H new ATOM 0 HA GLN A 30 1.261 -1.338 2.630 1.00 0.00 H new ATOM 0 HB2 GLN A 30 3.183 -1.911 4.118 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.003 -0.454 3.592 1.00 0.00 H new ATOM 0 HG2 GLN A 30 2.947 0.333 5.519 1.00 0.00 H new ATOM 0 HG3 GLN A 30 1.747 0.750 4.312 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -0.131 0.551 5.295 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -0.726 -0.891 6.124 1.00 0.00 H new ATOM 403 N SER A 31 3.116 0.832 1.045 1.00 0.00 N ATOM 404 CA SER A 31 3.113 2.137 0.405 1.00 0.00 C ATOM 405 C SER A 31 2.005 2.200 -0.648 1.00 0.00 C ATOM 406 O SER A 31 1.388 3.247 -0.843 1.00 0.00 O ATOM 407 CB SER A 31 4.470 2.441 -0.233 1.00 0.00 C ATOM 408 OG SER A 31 4.994 3.694 0.199 1.00 0.00 O ATOM 0 H SER A 31 3.937 0.261 0.844 1.00 0.00 H new ATOM 0 HA SER A 31 2.924 2.892 1.168 1.00 0.00 H new ATOM 0 HB2 SER A 31 5.174 1.648 0.017 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.368 2.445 -1.318 1.00 0.00 H new ATOM 0 HG SER A 31 5.862 3.851 -0.229 1.00 0.00 H new ATOM 414 N SER A 32 1.785 1.067 -1.299 1.00 0.00 N ATOM 415 CA SER A 32 0.762 0.981 -2.327 1.00 0.00 C ATOM 416 C SER A 32 -0.619 1.210 -1.711 1.00 0.00 C ATOM 417 O SER A 32 -1.380 2.056 -2.180 1.00 0.00 O ATOM 418 CB SER A 32 0.809 -0.373 -3.038 1.00 0.00 C ATOM 419 OG SER A 32 2.059 -0.592 -3.687 1.00 0.00 O ATOM 0 H SER A 32 2.298 0.201 -1.134 1.00 0.00 H new ATOM 0 HA SER A 32 0.955 1.757 -3.068 1.00 0.00 H new ATOM 0 HB2 SER A 32 0.632 -1.169 -2.314 1.00 0.00 H new ATOM 0 HB3 SER A 32 0.005 -0.425 -3.772 1.00 0.00 H new ATOM 0 HG SER A 32 2.251 -1.553 -3.711 1.00 0.00 H new ATOM 425 N VAL A 33 -0.902 0.441 -0.670 1.00 0.00 N ATOM 426 CA VAL A 33 -2.179 0.549 0.015 1.00 0.00 C ATOM 427 C VAL A 33 -2.477 2.022 0.301 1.00 0.00 C ATOM 428 O VAL A 33 -3.627 2.452 0.229 1.00 0.00 O ATOM 429 CB VAL A 33 -2.171 -0.316 1.277 1.00 0.00 C ATOM 430 CG1 VAL A 33 -3.453 -0.116 2.087 1.00 0.00 C ATOM 431 CG2 VAL A 33 -1.966 -1.792 0.929 1.00 0.00 C ATOM 0 H VAL A 33 -0.269 -0.259 -0.284 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.984 0.172 -0.616 1.00 0.00 H new ATOM 0 HB VAL A 33 -1.332 0.002 1.896 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.422 -0.742 2.979 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.538 0.930 2.381 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.314 -0.393 1.479 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.964 -2.385 1.844 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.775 -2.129 0.280 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.013 -1.916 0.415 1.00 0.00 H new ATOM 441 N ASP A 34 -1.420 2.755 0.619 1.00 0.00 N ATOM 442 CA ASP A 34 -1.553 4.171 0.917 1.00 0.00 C ATOM 443 C ASP A 34 -1.702 4.950 -0.391 1.00 0.00 C ATOM 444 O ASP A 34 -2.406 5.958 -0.441 1.00 0.00 O ATOM 445 CB ASP A 34 -0.315 4.700 1.644 1.00 0.00 C ATOM 446 CG ASP A 34 -0.473 6.091 2.261 1.00 0.00 C ATOM 447 OD1 ASP A 34 -0.891 7.000 1.512 1.00 0.00 O ATOM 448 OD2 ASP A 34 -0.171 6.214 3.468 1.00 0.00 O ATOM 0 H ASP A 34 -0.467 2.395 0.677 1.00 0.00 H new ATOM 0 HA ASP A 34 -2.428 4.301 1.554 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -0.047 3.997 2.433 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.518 4.723 0.942 1.00 0.00 H new ATOM 453 N THR A 35 -1.027 4.455 -1.418 1.00 0.00 N ATOM 454 CA THR A 35 -1.076 5.092 -2.723 1.00 0.00 C ATOM 455 C THR A 35 -2.522 5.196 -3.213 1.00 0.00 C ATOM 456 O THR A 35 -2.842 6.052 -4.036 1.00 0.00 O ATOM 457 CB THR A 35 -0.169 4.303 -3.669 1.00 0.00 C ATOM 458 OG1 THR A 35 1.119 4.386 -3.065 1.00 0.00 O ATOM 459 CG2 THR A 35 0.009 4.994 -5.023 1.00 0.00 C ATOM 0 H THR A 35 -0.443 3.620 -1.373 1.00 0.00 H new ATOM 0 HA THR A 35 -0.708 6.117 -2.676 1.00 0.00 H new ATOM 0 HB THR A 35 -0.584 3.307 -3.822 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.196 3.706 -2.364 1.00 0.00 H new ATOM 0 HG21 THR A 35 0.661 4.392 -5.656 1.00 0.00 H new ATOM 0 HG22 THR A 35 -0.962 5.105 -5.505 1.00 0.00 H new ATOM 0 HG23 THR A 35 0.455 5.977 -4.874 1.00 0.00 H new ATOM 467 N LEU A 36 -3.356 4.312 -2.686 1.00 0.00 N ATOM 468 CA LEU A 36 -4.760 4.293 -3.059 1.00 0.00 C ATOM 469 C LEU A 36 -5.567 5.093 -2.034 1.00 0.00 C ATOM 470 O LEU A 36 -6.696 5.497 -2.306 1.00 0.00 O ATOM 471 CB LEU A 36 -5.248 2.854 -3.236 1.00 0.00 C ATOM 472 CG LEU A 36 -4.834 2.161 -4.536 1.00 0.00 C ATOM 473 CD1 LEU A 36 -4.554 0.675 -4.300 1.00 0.00 C ATOM 474 CD2 LEU A 36 -5.880 2.380 -5.631 1.00 0.00 C ATOM 0 H LEU A 36 -3.086 3.604 -2.004 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.903 4.776 -4.026 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.881 2.261 -2.398 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.336 2.850 -3.176 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.905 2.613 -4.883 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.262 0.206 -5.240 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.748 0.567 -3.575 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.453 0.192 -3.917 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.561 1.877 -6.544 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.837 1.971 -5.307 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.988 3.448 -5.823 1.00 0.00 H new ATOM 486 N LEU A 37 -4.955 5.299 -0.877 1.00 0.00 N ATOM 487 CA LEU A 37 -5.601 6.045 0.190 1.00 0.00 C ATOM 488 C LEU A 37 -5.729 7.512 -0.224 1.00 0.00 C ATOM 489 O LEU A 37 -6.822 8.076 -0.194 1.00 0.00 O ATOM 490 CB LEU A 37 -4.859 5.841 1.512 1.00 0.00 C ATOM 491 CG LEU A 37 -5.104 4.507 2.220 1.00 0.00 C ATOM 492 CD1 LEU A 37 -4.097 4.294 3.352 1.00 0.00 C ATOM 493 CD2 LEU A 37 -6.549 4.404 2.711 1.00 0.00 C ATOM 0 H LEU A 37 -4.018 4.962 -0.655 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.611 5.672 0.358 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.790 5.939 1.324 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.139 6.647 2.191 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.952 3.704 1.498 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.293 3.339 3.839 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.086 4.293 2.944 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.193 5.099 4.081 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.696 3.446 3.210 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.754 5.214 3.411 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.228 4.478 1.862 1.00 0.00 H new ATOM 505 N SER A 38 -4.597 8.088 -0.601 1.00 0.00 N ATOM 506 CA SER A 38 -4.569 9.479 -1.020 1.00 0.00 C ATOM 507 C SER A 38 -5.537 9.695 -2.184 1.00 0.00 C ATOM 508 O SER A 38 -6.318 10.646 -2.179 1.00 0.00 O ATOM 509 CB SER A 38 -3.155 9.905 -1.420 1.00 0.00 C ATOM 510 OG SER A 38 -2.831 11.205 -0.934 1.00 0.00 O ATOM 0 H SER A 38 -3.693 7.617 -0.625 1.00 0.00 H new ATOM 0 HA SER A 38 -4.881 10.096 -0.177 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.436 9.183 -1.032 1.00 0.00 H new ATOM 0 HB3 SER A 38 -3.066 9.892 -2.506 1.00 0.00 H new ATOM 0 HG SER A 38 -1.920 11.439 -1.209 1.00 0.00 H new ATOM 516 N PHE A 39 -5.456 8.796 -3.154 1.00 0.00 N ATOM 517 CA PHE A 39 -6.316 8.876 -4.323 1.00 0.00 C ATOM 518 C PHE A 39 -7.771 9.118 -3.917 1.00 0.00 C ATOM 519 O PHE A 39 -8.440 9.983 -4.480 1.00 0.00 O ATOM 520 CB PHE A 39 -6.217 7.530 -5.044 1.00 0.00 C ATOM 521 CG PHE A 39 -5.065 7.445 -6.047 1.00 0.00 C ATOM 522 CD1 PHE A 39 -3.821 7.864 -5.691 1.00 0.00 C ATOM 523 CD2 PHE A 39 -5.284 6.950 -7.294 1.00 0.00 C ATOM 524 CE1 PHE A 39 -2.751 7.784 -6.622 1.00 0.00 C ATOM 525 CE2 PHE A 39 -4.215 6.871 -8.225 1.00 0.00 C ATOM 526 CZ PHE A 39 -2.971 7.290 -7.869 1.00 0.00 C ATOM 0 H PHE A 39 -4.808 8.008 -3.154 1.00 0.00 H new ATOM 0 HA PHE A 39 -6.002 9.703 -4.960 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -6.099 6.740 -4.302 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -7.155 7.339 -5.566 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -3.647 8.258 -4.700 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -6.272 6.617 -7.577 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.763 8.116 -6.339 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -4.390 6.478 -9.216 1.00 0.00 H new ATOM 0 HZ PHE A 39 -2.158 7.230 -8.577 1.00 0.00 H new ATOM 536 N GLY A 40 -8.218 8.338 -2.944 1.00 0.00 N ATOM 537 CA GLY A 40 -9.582 8.457 -2.456 1.00 0.00 C ATOM 538 C GLY A 40 -10.271 7.091 -2.416 1.00 0.00 C ATOM 539 O GLY A 40 -11.336 6.912 -3.004 1.00 0.00 O ATOM 0 H GLY A 40 -7.660 7.621 -2.480 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -9.578 8.896 -1.458 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -10.145 9.133 -3.099 1.00 0.00 H new ATOM 543 N PHE A 41 -9.634 6.163 -1.717 1.00 0.00 N ATOM 544 CA PHE A 41 -10.172 4.819 -1.593 1.00 0.00 C ATOM 545 C PHE A 41 -10.016 4.296 -0.163 1.00 0.00 C ATOM 546 O PHE A 41 -9.151 4.757 0.579 1.00 0.00 O ATOM 547 CB PHE A 41 -9.369 3.926 -2.540 1.00 0.00 C ATOM 548 CG PHE A 41 -9.379 4.396 -3.996 1.00 0.00 C ATOM 549 CD1 PHE A 41 -10.559 4.677 -4.612 1.00 0.00 C ATOM 550 CD2 PHE A 41 -8.209 4.533 -4.675 1.00 0.00 C ATOM 551 CE1 PHE A 41 -10.569 5.112 -5.963 1.00 0.00 C ATOM 552 CE2 PHE A 41 -8.219 4.969 -6.026 1.00 0.00 C ATOM 553 CZ PHE A 41 -9.399 5.250 -6.642 1.00 0.00 C ATOM 0 H PHE A 41 -8.750 6.315 -1.231 1.00 0.00 H new ATOM 0 HA PHE A 41 -11.234 4.820 -1.838 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -8.337 3.879 -2.191 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -9.768 2.913 -2.493 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -11.489 4.569 -4.073 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -7.272 4.310 -4.186 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -11.506 5.333 -6.452 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -7.289 5.078 -6.565 1.00 0.00 H new ATOM 0 HZ PHE A 41 -9.406 5.582 -7.670 1.00 0.00 H new ATOM 563 N ALA A 42 -10.868 3.341 0.179 1.00 0.00 N ATOM 564 CA ALA A 42 -10.836 2.750 1.506 1.00 0.00 C ATOM 565 C ALA A 42 -9.520 1.991 1.690 1.00 0.00 C ATOM 566 O ALA A 42 -9.003 1.399 0.744 1.00 0.00 O ATOM 567 CB ALA A 42 -12.059 1.851 1.695 1.00 0.00 C ATOM 0 H ALA A 42 -11.585 2.962 -0.440 1.00 0.00 H new ATOM 0 HA ALA A 42 -10.880 3.524 2.272 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -12.034 1.408 2.691 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -12.967 2.444 1.584 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -12.048 1.060 0.945 1.00 0.00 H new ATOM 573 N GLU A 43 -9.016 2.033 2.915 1.00 0.00 N ATOM 574 CA GLU A 43 -7.770 1.356 3.234 1.00 0.00 C ATOM 575 C GLU A 43 -7.895 -0.144 2.960 1.00 0.00 C ATOM 576 O GLU A 43 -6.903 -0.811 2.672 1.00 0.00 O ATOM 577 CB GLU A 43 -7.362 1.616 4.686 1.00 0.00 C ATOM 578 CG GLU A 43 -5.923 1.165 4.940 1.00 0.00 C ATOM 579 CD GLU A 43 -5.855 0.177 6.106 1.00 0.00 C ATOM 580 OE1 GLU A 43 -5.820 0.660 7.258 1.00 0.00 O ATOM 581 OE2 GLU A 43 -5.839 -1.040 5.818 1.00 0.00 O ATOM 0 H GLU A 43 -9.447 2.525 3.698 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.986 1.758 2.592 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -7.459 2.678 4.910 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.037 1.086 5.358 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.520 0.700 4.041 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -5.299 2.032 5.157 1.00 0.00 H new ATOM 588 N ASP A 44 -9.124 -0.631 3.059 1.00 0.00 N ATOM 589 CA ASP A 44 -9.391 -2.040 2.825 1.00 0.00 C ATOM 590 C ASP A 44 -9.378 -2.313 1.319 1.00 0.00 C ATOM 591 O ASP A 44 -8.654 -3.191 0.851 1.00 0.00 O ATOM 592 CB ASP A 44 -10.767 -2.436 3.365 1.00 0.00 C ATOM 593 CG ASP A 44 -10.822 -3.802 4.053 1.00 0.00 C ATOM 594 OD1 ASP A 44 -9.926 -4.622 3.758 1.00 0.00 O ATOM 595 OD2 ASP A 44 -11.758 -3.994 4.858 1.00 0.00 O ATOM 0 H ASP A 44 -9.945 -0.075 3.298 1.00 0.00 H new ATOM 0 HA ASP A 44 -8.622 -2.619 3.336 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -11.096 -1.675 4.073 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -11.479 -2.432 2.540 1.00 0.00 H new ATOM 600 N VAL A 45 -10.186 -1.546 0.603 1.00 0.00 N ATOM 601 CA VAL A 45 -10.277 -1.695 -0.839 1.00 0.00 C ATOM 602 C VAL A 45 -8.877 -1.584 -1.448 1.00 0.00 C ATOM 603 O VAL A 45 -8.561 -2.274 -2.415 1.00 0.00 O ATOM 604 CB VAL A 45 -11.260 -0.672 -1.410 1.00 0.00 C ATOM 605 CG1 VAL A 45 -10.940 -0.361 -2.874 1.00 0.00 C ATOM 606 CG2 VAL A 45 -12.704 -1.153 -1.255 1.00 0.00 C ATOM 0 H VAL A 45 -10.784 -0.819 0.995 1.00 0.00 H new ATOM 0 HA VAL A 45 -10.667 -2.679 -1.097 1.00 0.00 H new ATOM 0 HB VAL A 45 -11.151 0.251 -0.840 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.654 0.369 -3.255 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -9.931 0.045 -2.948 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.007 -1.276 -3.463 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -13.382 -0.407 -1.669 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -12.833 -2.096 -1.787 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -12.927 -1.300 -0.198 1.00 0.00 H new ATOM 616 N ALA A 46 -8.077 -0.709 -0.856 1.00 0.00 N ATOM 617 CA ALA A 46 -6.719 -0.499 -1.327 1.00 0.00 C ATOM 618 C ALA A 46 -5.954 -1.823 -1.273 1.00 0.00 C ATOM 619 O ALA A 46 -5.126 -2.101 -2.139 1.00 0.00 O ATOM 620 CB ALA A 46 -6.052 0.595 -0.491 1.00 0.00 C ATOM 0 H ALA A 46 -8.344 -0.137 -0.054 1.00 0.00 H new ATOM 0 HA ALA A 46 -6.720 -0.162 -2.364 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.033 0.753 -0.844 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -6.617 1.522 -0.588 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.030 0.291 0.555 1.00 0.00 H new ATOM 626 N ARG A 47 -6.259 -2.604 -0.248 1.00 0.00 N ATOM 627 CA ARG A 47 -5.610 -3.892 -0.069 1.00 0.00 C ATOM 628 C ARG A 47 -6.319 -4.963 -0.901 1.00 0.00 C ATOM 629 O ARG A 47 -5.705 -5.951 -1.301 1.00 0.00 O ATOM 630 CB ARG A 47 -5.616 -4.313 1.402 1.00 0.00 C ATOM 631 CG ARG A 47 -4.325 -3.880 2.100 1.00 0.00 C ATOM 632 CD ARG A 47 -4.412 -4.117 3.609 1.00 0.00 C ATOM 633 NE ARG A 47 -3.113 -4.607 4.120 1.00 0.00 N ATOM 634 CZ ARG A 47 -2.049 -3.823 4.342 1.00 0.00 C ATOM 635 NH1 ARG A 47 -2.124 -2.508 4.100 1.00 0.00 N ATOM 636 NH2 ARG A 47 -0.910 -4.355 4.807 1.00 0.00 N ATOM 0 H ARG A 47 -6.947 -2.370 0.468 1.00 0.00 H new ATOM 0 HA ARG A 47 -4.577 -3.792 -0.402 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.474 -3.869 1.908 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -5.728 -5.395 1.474 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -3.481 -4.435 1.689 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -4.138 -2.824 1.904 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -4.686 -3.191 4.116 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -5.195 -4.843 3.827 1.00 0.00 H new ATOM 0 HE ARG A 47 -3.021 -5.604 4.316 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -2.991 -2.103 3.747 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -1.314 -1.911 4.269 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -0.853 -5.356 4.992 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -0.100 -3.758 4.976 1.00 0.00 H new ATOM 650 N LYS A 48 -7.602 -4.731 -1.137 1.00 0.00 N ATOM 651 CA LYS A 48 -8.401 -5.663 -1.914 1.00 0.00 C ATOM 652 C LYS A 48 -8.058 -5.509 -3.397 1.00 0.00 C ATOM 653 O LYS A 48 -7.955 -6.499 -4.120 1.00 0.00 O ATOM 654 CB LYS A 48 -9.888 -5.481 -1.605 1.00 0.00 C ATOM 655 CG LYS A 48 -10.173 -5.721 -0.121 1.00 0.00 C ATOM 656 CD LYS A 48 -11.557 -6.343 0.078 1.00 0.00 C ATOM 657 CE LYS A 48 -12.617 -5.263 0.300 1.00 0.00 C ATOM 658 NZ LYS A 48 -13.882 -5.632 -0.372 1.00 0.00 N ATOM 0 H LYS A 48 -8.108 -3.911 -0.804 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.165 -6.690 -1.637 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.200 -4.474 -1.881 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.476 -6.173 -2.208 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.411 -6.379 0.298 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.113 -4.778 0.422 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.820 -6.941 -0.795 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.536 -7.019 0.933 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.791 -5.130 1.368 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -12.258 -4.309 -0.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -14.471 -4.784 -0.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -13.673 -6.044 -1.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -14.393 -6.328 0.208 1.00 0.00 H new ATOM 672 N ALA A 49 -7.889 -4.260 -3.807 1.00 0.00 N ATOM 673 CA ALA A 49 -7.560 -3.964 -5.190 1.00 0.00 C ATOM 674 C ALA A 49 -6.140 -4.450 -5.487 1.00 0.00 C ATOM 675 O ALA A 49 -5.884 -5.022 -6.545 1.00 0.00 O ATOM 676 CB ALA A 49 -7.729 -2.465 -5.446 1.00 0.00 C ATOM 0 H ALA A 49 -7.974 -3.441 -3.205 1.00 0.00 H new ATOM 0 HA ALA A 49 -8.236 -4.488 -5.866 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.482 -2.243 -6.484 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.761 -2.176 -5.249 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.064 -1.906 -4.787 1.00 0.00 H new ATOM 682 N LEU A 50 -5.253 -4.204 -4.534 1.00 0.00 N ATOM 683 CA LEU A 50 -3.865 -4.608 -4.679 1.00 0.00 C ATOM 684 C LEU A 50 -3.744 -6.107 -4.398 1.00 0.00 C ATOM 685 O LEU A 50 -2.658 -6.676 -4.501 1.00 0.00 O ATOM 686 CB LEU A 50 -2.959 -3.743 -3.802 1.00 0.00 C ATOM 687 CG LEU A 50 -2.754 -2.300 -4.268 1.00 0.00 C ATOM 688 CD1 LEU A 50 -2.114 -1.453 -3.166 1.00 0.00 C ATOM 689 CD2 LEU A 50 -1.947 -2.254 -5.567 1.00 0.00 C ATOM 0 H LEU A 50 -5.469 -3.729 -3.657 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.526 -4.446 -5.702 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.374 -3.723 -2.794 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.983 -4.225 -3.736 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.732 -1.867 -4.480 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.979 -0.432 -3.524 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.761 -1.448 -2.289 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.145 -1.875 -2.899 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.815 -1.217 -5.877 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.971 -2.711 -5.405 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.479 -2.801 -6.346 1.00 0.00 H new ATOM 701 N LYS A 51 -4.873 -6.705 -4.048 1.00 0.00 N ATOM 702 CA LYS A 51 -4.907 -8.127 -3.751 1.00 0.00 C ATOM 703 C LYS A 51 -5.140 -8.909 -5.046 1.00 0.00 C ATOM 704 O LYS A 51 -4.598 -9.999 -5.223 1.00 0.00 O ATOM 705 CB LYS A 51 -5.939 -8.422 -2.661 1.00 0.00 C ATOM 706 CG LYS A 51 -6.486 -9.845 -2.794 1.00 0.00 C ATOM 707 CD LYS A 51 -6.969 -10.375 -1.443 1.00 0.00 C ATOM 708 CE LYS A 51 -5.819 -11.012 -0.660 1.00 0.00 C ATOM 709 NZ LYS A 51 -6.049 -10.882 0.796 1.00 0.00 N ATOM 0 H LYS A 51 -5.772 -6.230 -3.963 1.00 0.00 H new ATOM 0 HA LYS A 51 -3.949 -8.455 -3.348 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -5.483 -8.294 -1.679 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.758 -7.706 -2.727 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -7.309 -9.857 -3.509 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.711 -10.501 -3.190 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -7.401 -9.560 -0.862 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -7.759 -11.110 -1.598 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.728 -12.065 -0.927 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -4.878 -10.533 -0.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.259 -11.319 1.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.113 -9.875 1.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -6.937 -11.360 1.051 1.00 0.00 H new ATOM 723 N ALA A 52 -5.947 -8.321 -5.917 1.00 0.00 N ATOM 724 CA ALA A 52 -6.258 -8.949 -7.190 1.00 0.00 C ATOM 725 C ALA A 52 -5.308 -8.413 -8.264 1.00 0.00 C ATOM 726 O ALA A 52 -4.920 -9.143 -9.175 1.00 0.00 O ATOM 727 CB ALA A 52 -7.727 -8.701 -7.536 1.00 0.00 C ATOM 0 H ALA A 52 -6.395 -7.417 -5.766 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.114 -10.028 -7.131 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -7.960 -9.172 -8.491 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -8.361 -9.125 -6.757 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -7.908 -7.628 -7.607 1.00 0.00 H new ATOM 733 N SER A 53 -4.960 -7.143 -8.121 1.00 0.00 N ATOM 734 CA SER A 53 -4.063 -6.501 -9.066 1.00 0.00 C ATOM 735 C SER A 53 -2.625 -6.963 -8.820 1.00 0.00 C ATOM 736 O SER A 53 -1.963 -7.456 -9.732 1.00 0.00 O ATOM 737 CB SER A 53 -4.155 -4.977 -8.967 1.00 0.00 C ATOM 738 OG SER A 53 -5.507 -4.526 -8.927 1.00 0.00 O ATOM 0 H SER A 53 -5.284 -6.541 -7.364 1.00 0.00 H new ATOM 0 HA SER A 53 -4.364 -6.791 -10.073 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.633 -4.640 -8.071 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.647 -4.527 -9.820 1.00 0.00 H new ATOM 0 HG SER A 53 -5.938 -4.855 -8.111 1.00 0.00 H new ATOM 744 N GLY A 54 -2.185 -6.787 -7.583 1.00 0.00 N ATOM 745 CA GLY A 54 -0.838 -7.179 -7.205 1.00 0.00 C ATOM 746 C GLY A 54 0.139 -6.013 -7.367 1.00 0.00 C ATOM 747 O GLY A 54 0.662 -5.783 -8.456 1.00 0.00 O ATOM 0 H GLY A 54 -2.738 -6.378 -6.829 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.832 -7.522 -6.170 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.514 -8.018 -7.821 1.00 0.00 H new ATOM 751 N GLY A 55 0.355 -5.307 -6.267 1.00 0.00 N ATOM 752 CA GLY A 55 1.260 -4.170 -6.273 1.00 0.00 C ATOM 753 C GLY A 55 1.136 -3.378 -7.577 1.00 0.00 C ATOM 754 O GLY A 55 2.104 -2.771 -8.032 1.00 0.00 O ATOM 0 H GLY A 55 -0.081 -5.500 -5.365 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.039 -3.520 -5.426 1.00 0.00 H new ATOM 0 HA3 GLY A 55 2.286 -4.517 -6.150 1.00 0.00 H new ATOM 758 N ASP A 56 -0.062 -3.411 -8.140 1.00 0.00 N ATOM 759 CA ASP A 56 -0.325 -2.704 -9.383 1.00 0.00 C ATOM 760 C ASP A 56 -1.406 -1.648 -9.145 1.00 0.00 C ATOM 761 O ASP A 56 -2.560 -1.840 -9.523 1.00 0.00 O ATOM 762 CB ASP A 56 -0.828 -3.661 -10.465 1.00 0.00 C ATOM 763 CG ASP A 56 0.204 -4.675 -10.963 1.00 0.00 C ATOM 764 OD1 ASP A 56 1.402 -4.322 -10.940 1.00 0.00 O ATOM 765 OD2 ASP A 56 -0.230 -5.780 -11.356 1.00 0.00 O ATOM 0 H ASP A 56 -0.862 -3.916 -7.759 1.00 0.00 H new ATOM 0 HA ASP A 56 0.607 -2.244 -9.713 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.690 -4.204 -10.077 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.177 -3.074 -11.314 1.00 0.00 H new ATOM 770 N ILE A 57 -0.993 -0.555 -8.519 1.00 0.00 N ATOM 771 CA ILE A 57 -1.912 0.532 -8.227 1.00 0.00 C ATOM 772 C ILE A 57 -2.844 0.741 -9.421 1.00 0.00 C ATOM 773 O ILE A 57 -4.065 0.724 -9.271 1.00 0.00 O ATOM 774 CB ILE A 57 -1.142 1.789 -7.819 1.00 0.00 C ATOM 775 CG1 ILE A 57 -0.415 1.581 -6.489 1.00 0.00 C ATOM 776 CG2 ILE A 57 -2.064 3.009 -7.783 1.00 0.00 C ATOM 777 CD1 ILE A 57 -1.403 1.559 -5.322 1.00 0.00 C ATOM 0 H ILE A 57 -0.035 -0.399 -8.206 1.00 0.00 H new ATOM 0 HA ILE A 57 -2.541 0.281 -7.373 1.00 0.00 H new ATOM 0 HB ILE A 57 -0.381 1.982 -8.575 1.00 0.00 H new ATOM 0 HG12 ILE A 57 0.141 0.644 -6.517 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.312 2.379 -6.339 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -1.492 3.889 -7.490 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -2.495 3.169 -8.771 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.864 2.840 -7.062 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -0.860 1.410 -4.389 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -1.940 2.507 -5.282 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.114 0.745 -5.462 1.00 0.00 H new ATOM 789 N GLU A 58 -2.233 0.934 -10.581 1.00 0.00 N ATOM 790 CA GLU A 58 -2.993 1.147 -11.801 1.00 0.00 C ATOM 791 C GLU A 58 -4.141 0.140 -11.894 1.00 0.00 C ATOM 792 O GLU A 58 -5.297 0.525 -12.062 1.00 0.00 O ATOM 793 CB GLU A 58 -2.089 1.063 -13.032 1.00 0.00 C ATOM 794 CG GLU A 58 -1.353 2.384 -13.264 1.00 0.00 C ATOM 795 CD GLU A 58 0.145 2.149 -13.465 1.00 0.00 C ATOM 796 OE1 GLU A 58 0.478 1.326 -14.346 1.00 0.00 O ATOM 797 OE2 GLU A 58 0.925 2.797 -12.734 1.00 0.00 O ATOM 0 H GLU A 58 -1.220 0.947 -10.702 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.417 2.150 -11.771 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.366 0.258 -12.902 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.686 0.816 -13.910 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -1.767 2.886 -14.139 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.510 3.046 -12.413 1.00 0.00 H new ATOM 804 N LYS A 59 -3.782 -1.131 -11.780 1.00 0.00 N ATOM 805 CA LYS A 59 -4.768 -2.196 -11.849 1.00 0.00 C ATOM 806 C LYS A 59 -5.671 -2.130 -10.616 1.00 0.00 C ATOM 807 O LYS A 59 -6.872 -2.377 -10.708 1.00 0.00 O ATOM 808 CB LYS A 59 -4.081 -3.550 -12.036 1.00 0.00 C ATOM 809 CG LYS A 59 -3.904 -3.875 -13.521 1.00 0.00 C ATOM 810 CD LYS A 59 -2.837 -4.952 -13.723 1.00 0.00 C ATOM 811 CE LYS A 59 -2.230 -4.865 -15.125 1.00 0.00 C ATOM 812 NZ LYS A 59 -2.819 -5.895 -16.010 1.00 0.00 N ATOM 0 H LYS A 59 -2.822 -1.447 -11.640 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.409 -2.066 -12.721 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.108 -3.539 -11.544 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.672 -4.331 -11.557 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.852 -4.215 -13.938 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.622 -2.973 -14.063 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -2.052 -4.837 -12.975 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -3.277 -5.938 -13.574 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.406 -3.874 -15.543 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.150 -5.000 -15.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.396 -5.822 -16.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.629 -6.839 -15.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -3.846 -5.748 -16.077 1.00 0.00 H new ATOM 826 N ALA A 60 -5.058 -1.795 -9.490 1.00 0.00 N ATOM 827 CA ALA A 60 -5.791 -1.693 -8.240 1.00 0.00 C ATOM 828 C ALA A 60 -6.872 -0.619 -8.374 1.00 0.00 C ATOM 829 O ALA A 60 -7.947 -0.737 -7.787 1.00 0.00 O ATOM 830 CB ALA A 60 -4.816 -1.399 -7.098 1.00 0.00 C ATOM 0 H ALA A 60 -4.061 -1.591 -9.418 1.00 0.00 H new ATOM 0 HA ALA A 60 -6.288 -2.635 -8.009 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.366 -1.323 -6.160 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.086 -2.206 -7.026 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.300 -0.459 -7.293 1.00 0.00 H new ATOM 836 N THR A 61 -6.550 0.406 -9.150 1.00 0.00 N ATOM 837 CA THR A 61 -7.480 1.501 -9.368 1.00 0.00 C ATOM 838 C THR A 61 -8.640 1.046 -10.256 1.00 0.00 C ATOM 839 O THR A 61 -9.641 1.749 -10.385 1.00 0.00 O ATOM 840 CB THR A 61 -6.696 2.679 -9.949 1.00 0.00 C ATOM 841 OG1 THR A 61 -5.716 2.968 -8.956 1.00 0.00 O ATOM 842 CG2 THR A 61 -7.533 3.957 -10.030 1.00 0.00 C ATOM 0 H THR A 61 -5.658 0.501 -9.635 1.00 0.00 H new ATOM 0 HA THR A 61 -7.936 1.825 -8.432 1.00 0.00 H new ATOM 0 HB THR A 61 -6.335 2.418 -10.944 1.00 0.00 H new ATOM 0 HG1 THR A 61 -4.988 2.314 -9.014 1.00 0.00 H new ATOM 0 HG21 THR A 61 -6.929 4.762 -10.449 1.00 0.00 H new ATOM 0 HG22 THR A 61 -8.400 3.784 -10.668 1.00 0.00 H new ATOM 0 HG23 THR A 61 -7.867 4.237 -9.031 1.00 0.00 H new ATOM 850 N ASP A 62 -8.467 -0.128 -10.846 1.00 0.00 N ATOM 851 CA ASP A 62 -9.487 -0.685 -11.718 1.00 0.00 C ATOM 852 C ASP A 62 -10.345 -1.674 -10.926 1.00 0.00 C ATOM 853 O ASP A 62 -11.546 -1.789 -11.165 1.00 0.00 O ATOM 854 CB ASP A 62 -8.857 -1.440 -12.890 1.00 0.00 C ATOM 855 CG ASP A 62 -9.744 -1.566 -14.130 1.00 0.00 C ATOM 856 OD1 ASP A 62 -10.393 -0.553 -14.469 1.00 0.00 O ATOM 857 OD2 ASP A 62 -9.753 -2.673 -14.711 1.00 0.00 O ATOM 0 H ASP A 62 -7.636 -0.709 -10.737 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.089 0.139 -12.101 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -7.933 -0.936 -13.173 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.584 -2.440 -12.554 1.00 0.00 H new ATOM 862 N TRP A 63 -9.694 -2.362 -9.999 1.00 0.00 N ATOM 863 CA TRP A 63 -10.383 -3.337 -9.170 1.00 0.00 C ATOM 864 C TRP A 63 -11.447 -2.598 -8.356 1.00 0.00 C ATOM 865 O TRP A 63 -12.524 -3.136 -8.102 1.00 0.00 O ATOM 866 CB TRP A 63 -9.393 -4.111 -8.297 1.00 0.00 C ATOM 867 CG TRP A 63 -10.037 -5.214 -7.454 1.00 0.00 C ATOM 868 CD1 TRP A 63 -10.079 -6.529 -7.709 1.00 0.00 C ATOM 869 CD2 TRP A 63 -10.732 -5.043 -6.201 1.00 0.00 C ATOM 870 NE1 TRP A 63 -10.749 -7.215 -6.717 1.00 0.00 N ATOM 871 CE2 TRP A 63 -11.159 -6.283 -5.771 1.00 0.00 C ATOM 872 CE3 TRP A 63 -10.993 -3.879 -5.457 1.00 0.00 C ATOM 873 CZ2 TRP A 63 -11.871 -6.478 -4.581 1.00 0.00 C ATOM 874 CZ3 TRP A 63 -11.706 -4.091 -4.271 1.00 0.00 C ATOM 875 CH2 TRP A 63 -12.142 -5.332 -3.823 1.00 0.00 C ATOM 0 H TRP A 63 -8.698 -2.264 -9.804 1.00 0.00 H new ATOM 0 HA TRP A 63 -10.876 -4.088 -9.787 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -8.630 -4.555 -8.937 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -8.885 -3.411 -7.634 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -9.643 -6.993 -8.581 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -10.913 -8.221 -6.684 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -10.669 -2.899 -5.775 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -12.194 -7.459 -4.265 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -11.933 -3.229 -3.661 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -12.687 -5.412 -2.894 1.00 0.00 H new ATOM 886 N VAL A 64 -11.108 -1.377 -7.968 1.00 0.00 N ATOM 887 CA VAL A 64 -12.021 -0.559 -7.188 1.00 0.00 C ATOM 888 C VAL A 64 -13.291 -0.302 -8.001 1.00 0.00 C ATOM 889 O VAL A 64 -14.390 -0.644 -7.567 1.00 0.00 O ATOM 890 CB VAL A 64 -11.322 0.729 -6.747 1.00 0.00 C ATOM 891 CG1 VAL A 64 -12.208 1.534 -5.794 1.00 0.00 C ATOM 892 CG2 VAL A 64 -9.965 0.426 -6.109 1.00 0.00 C ATOM 0 H VAL A 64 -10.214 -0.935 -8.179 1.00 0.00 H new ATOM 0 HA VAL A 64 -12.318 -1.080 -6.278 1.00 0.00 H new ATOM 0 HB VAL A 64 -11.146 1.336 -7.635 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -11.688 2.444 -5.495 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -13.139 1.796 -6.297 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -12.429 0.936 -4.910 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -9.490 1.359 -5.805 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -10.108 -0.210 -5.236 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -9.330 -0.086 -6.831 1.00 0.00 H new ATOM 902 N PHE A 65 -13.097 0.298 -9.166 1.00 0.00 N ATOM 903 CA PHE A 65 -14.214 0.605 -10.044 1.00 0.00 C ATOM 904 C PHE A 65 -14.868 -0.675 -10.568 1.00 0.00 C ATOM 905 O PHE A 65 -16.092 -0.762 -10.652 1.00 0.00 O ATOM 906 CB PHE A 65 -13.649 1.395 -11.226 1.00 0.00 C ATOM 907 CG PHE A 65 -12.616 2.452 -10.831 1.00 0.00 C ATOM 908 CD1 PHE A 65 -12.632 2.985 -9.581 1.00 0.00 C ATOM 909 CD2 PHE A 65 -11.680 2.858 -11.731 1.00 0.00 C ATOM 910 CE1 PHE A 65 -11.673 3.966 -9.214 1.00 0.00 C ATOM 911 CE2 PHE A 65 -10.721 3.839 -11.365 1.00 0.00 C ATOM 912 CZ PHE A 65 -10.737 4.372 -10.114 1.00 0.00 C ATOM 0 H PHE A 65 -12.184 0.580 -9.523 1.00 0.00 H new ATOM 0 HA PHE A 65 -14.970 1.171 -9.500 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -13.191 0.699 -11.929 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -14.471 1.883 -11.750 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -13.375 2.662 -8.866 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -11.666 2.434 -12.724 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -11.687 4.390 -8.221 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -9.979 4.162 -12.080 1.00 0.00 H new ATOM 0 HZ PHE A 65 -10.007 5.117 -9.835 1.00 0.00 H new ATOM 922 N ASN A 66 -14.022 -1.638 -10.906 1.00 0.00 N ATOM 923 CA ASN A 66 -14.502 -2.909 -11.420 1.00 0.00 C ATOM 924 C ASN A 66 -15.742 -3.337 -10.632 1.00 0.00 C ATOM 925 O ASN A 66 -16.781 -3.638 -11.218 1.00 0.00 O ATOM 926 CB ASN A 66 -13.443 -4.002 -11.263 1.00 0.00 C ATOM 927 CG ASN A 66 -12.833 -4.373 -12.616 1.00 0.00 C ATOM 928 OD1 ASN A 66 -13.116 -5.412 -13.190 1.00 0.00 O ATOM 929 ND2 ASN A 66 -11.983 -3.468 -13.093 1.00 0.00 N ATOM 0 H ASN A 66 -13.007 -1.563 -10.834 1.00 0.00 H new ATOM 0 HA ASN A 66 -14.733 -2.779 -12.477 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -12.659 -3.659 -10.588 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -13.891 -4.885 -10.808 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -11.524 -3.623 -13.990 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -11.790 -2.619 -12.561 1.00 0.00 H new ATOM 936 N ASN A 67 -15.592 -3.350 -9.316 1.00 0.00 N ATOM 937 CA ASN A 67 -16.687 -3.735 -8.442 1.00 0.00 C ATOM 938 C ASN A 67 -17.579 -2.519 -8.181 1.00 0.00 C ATOM 939 O ASN A 67 -18.799 -2.647 -8.092 1.00 0.00 O ATOM 940 CB ASN A 67 -16.166 -4.236 -7.093 1.00 0.00 C ATOM 941 CG ASN A 67 -15.472 -3.112 -6.322 1.00 0.00 C ATOM 942 OD1 ASN A 67 -16.092 -2.170 -5.856 1.00 0.00 O ATOM 943 ND2 ASN A 67 -14.155 -3.262 -6.213 1.00 0.00 N ATOM 0 H ASN A 67 -14.729 -3.100 -8.834 1.00 0.00 H new ATOM 0 HA ASN A 67 -17.244 -4.533 -8.933 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -16.994 -4.630 -6.503 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -15.468 -5.058 -7.251 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -13.602 -2.564 -5.716 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -13.698 -4.075 -6.627 1.00 0.00 H new ATOM 950 N SER A 68 -16.935 -1.367 -8.066 1.00 0.00 N ATOM 951 CA SER A 68 -17.654 -0.129 -7.818 1.00 0.00 C ATOM 952 C SER A 68 -18.097 0.493 -9.143 1.00 0.00 C ATOM 953 O SER A 68 -17.311 1.161 -9.814 1.00 0.00 O ATOM 954 CB SER A 68 -16.793 0.859 -7.029 1.00 0.00 C ATOM 955 OG SER A 68 -17.572 1.650 -6.135 1.00 0.00 O ATOM 0 H SER A 68 -15.923 -1.265 -8.140 1.00 0.00 H new ATOM 0 HA SER A 68 -18.536 -0.359 -7.220 1.00 0.00 H new ATOM 0 HB2 SER A 68 -16.038 0.312 -6.465 1.00 0.00 H new ATOM 0 HB3 SER A 68 -16.262 1.512 -7.722 1.00 0.00 H new ATOM 0 HG SER A 68 -16.986 2.267 -5.649 1.00 0.00 H new ATOM 961 N GLY A 69 -19.356 0.253 -9.482 1.00 0.00 N ATOM 962 CA GLY A 69 -19.913 0.782 -10.715 1.00 0.00 C ATOM 963 C GLY A 69 -20.019 -0.310 -11.781 1.00 0.00 C ATOM 964 O GLY A 69 -19.315 -1.316 -11.717 1.00 0.00 O ATOM 0 H GLY A 69 -20.006 -0.301 -8.924 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -20.899 1.203 -10.521 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -19.286 1.594 -11.082 1.00 0.00 H new ATOM 968 N PRO A 70 -20.929 -0.068 -12.763 1.00 0.00 N ATOM 969 CA PRO A 70 -21.137 -1.020 -13.841 1.00 0.00 C ATOM 970 C PRO A 70 -19.986 -0.967 -14.848 1.00 0.00 C ATOM 971 O PRO A 70 -19.587 0.111 -15.284 1.00 0.00 O ATOM 972 CB PRO A 70 -22.477 -0.637 -14.450 1.00 0.00 C ATOM 973 CG PRO A 70 -22.748 0.788 -13.998 1.00 0.00 C ATOM 974 CD PRO A 70 -21.781 1.112 -12.871 1.00 0.00 C ATOM 0 HA PRO A 70 -21.153 -2.053 -13.494 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -22.445 -0.702 -15.538 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -23.266 -1.310 -14.114 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -22.615 1.483 -14.827 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -23.779 0.891 -13.658 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -21.196 2.004 -13.096 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -22.311 1.305 -11.938 1.00 0.00 H new ATOM 982 N SER A 71 -19.486 -2.146 -15.188 1.00 0.00 N ATOM 983 CA SER A 71 -18.389 -2.248 -16.135 1.00 0.00 C ATOM 984 C SER A 71 -18.936 -2.370 -17.559 1.00 0.00 C ATOM 985 O SER A 71 -19.576 -3.364 -17.898 1.00 0.00 O ATOM 986 CB SER A 71 -17.489 -3.441 -15.808 1.00 0.00 C ATOM 987 OG SER A 71 -18.149 -4.685 -16.028 1.00 0.00 O ATOM 0 H SER A 71 -19.820 -3.038 -14.825 1.00 0.00 H new ATOM 0 HA SER A 71 -17.787 -1.342 -16.060 1.00 0.00 H new ATOM 0 HB2 SER A 71 -16.589 -3.395 -16.421 1.00 0.00 H new ATOM 0 HB3 SER A 71 -17.169 -3.379 -14.768 1.00 0.00 H new ATOM 0 HG SER A 71 -18.802 -4.585 -16.752 1.00 0.00 H new ATOM 993 N SER A 72 -18.665 -1.345 -18.353 1.00 0.00 N ATOM 994 CA SER A 72 -19.122 -1.324 -19.732 1.00 0.00 C ATOM 995 C SER A 72 -17.925 -1.396 -20.681 1.00 0.00 C ATOM 996 O SER A 72 -17.845 -2.294 -21.518 1.00 0.00 O ATOM 997 CB SER A 72 -19.952 -0.072 -20.018 1.00 0.00 C ATOM 998 OG SER A 72 -20.832 -0.256 -21.124 1.00 0.00 O ATOM 0 H SER A 72 -18.134 -0.522 -18.067 1.00 0.00 H new ATOM 0 HA SER A 72 -19.759 -2.194 -19.895 1.00 0.00 H new ATOM 0 HB2 SER A 72 -20.532 0.189 -19.133 1.00 0.00 H new ATOM 0 HB3 SER A 72 -19.286 0.766 -20.221 1.00 0.00 H new ATOM 0 HG SER A 72 -21.346 0.565 -21.274 1.00 0.00 H new ATOM 1004 N GLY A 73 -17.023 -0.439 -20.519 1.00 0.00 N ATOM 1005 CA GLY A 73 -15.834 -0.383 -21.352 1.00 0.00 C ATOM 1006 C GLY A 73 -14.690 -1.185 -20.728 1.00 0.00 C ATOM 1007 O GLY A 73 -13.618 -0.643 -20.465 1.00 0.00 O ATOM 0 H GLY A 73 -17.092 0.304 -19.823 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -16.061 -0.777 -22.343 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -15.526 0.654 -21.484 1.00 0.00 H new TER 1011 GLY A 73