USER MOD reduce.3.24.130724 H: found=0, std=0, add=862, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 857 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 74 GLN : amide:sc= 0.146 K(o=0.23,f=-5.2!) USER MOD Set 1.2: A 75 SER OG : rot 26:sc= 0.0868 USER MOD Set 2.1: A 45 HIS : no HE2:sc= -3.32! C(o=-3.3!,f=-2.7!) USER MOD Set 2.2: A 81 HIS : no HD1:sc=-0.00678 K(o=-3.3,f=-2.7) USER MOD Set 3.1: A 12 SER OG : rot 81:sc= 0.747 USER MOD Set 3.2: A 102 GLN : amide:sc= 1.4 K(o=2.1,f=-1.2) USER MOD Set 4.1: A 10 GLN : amide:sc= 1.4 K(o=2.6,f=-5.3!) USER MOD Set 4.2: A 11 THR OG1 : rot 12:sc= 1.21 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 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= -0.0518 X(o=-0.052,f=-0.043) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.173 K(o=-0.17,f=-1.3!) USER MOD Single : A 30 SER OG : rot 180:sc= -0.329 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.065) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.0431 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot -106:sc= 1.54 USER MOD Single : A 59 CYS SG : rot 77:sc= 0.251 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= 0.0804 K(o=0.08,f=-4.7!) USER MOD Single : A 78 ASN : amide:sc=-0.000938 K(o=-0.00094,f=-2.1) USER MOD Single : A 79 MET CE :methyl -170:sc= -1.33 (180deg=-1.43) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.0144 USER MOD Single : A 106 ASN : amide:sc= -0.0312 X(o=-0.031,f=0) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.467 -8.595 -18.633 1.00 0.00 N ATOM 2 CA GLY A 1 -8.776 -9.153 -18.968 1.00 0.00 C ATOM 3 C GLY A 1 -8.611 -10.530 -19.567 1.00 0.00 C ATOM 4 O GLY A 1 -8.267 -10.626 -20.743 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.588 -7.648 -18.221 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.992 -9.213 -17.945 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.888 -8.527 -19.494 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.397 -9.208 -18.074 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.290 -8.500 -19.673 1.00 0.00 H new ATOM 8 N SER A 2 -8.840 -11.595 -18.789 1.00 0.00 N ATOM 9 CA SER A 2 -8.882 -12.953 -19.312 1.00 0.00 C ATOM 10 C SER A 2 -10.065 -13.047 -20.271 1.00 0.00 C ATOM 11 O SER A 2 -11.218 -12.934 -19.842 1.00 0.00 O ATOM 12 CB SER A 2 -8.974 -13.957 -18.156 1.00 0.00 C ATOM 13 OG SER A 2 -9.276 -15.273 -18.573 1.00 0.00 O ATOM 0 H SER A 2 -9.000 -11.533 -17.784 1.00 0.00 H new ATOM 0 HA SER A 2 -7.971 -13.198 -19.859 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.027 -13.964 -17.616 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.739 -13.622 -17.455 1.00 0.00 H new ATOM 0 HG SER A 2 -9.319 -15.862 -17.791 1.00 0.00 H new ATOM 19 N SER A 3 -9.794 -13.217 -21.559 1.00 0.00 N ATOM 20 CA SER A 3 -10.804 -13.500 -22.565 1.00 0.00 C ATOM 21 C SER A 3 -11.130 -14.993 -22.527 1.00 0.00 C ATOM 22 O SER A 3 -10.366 -15.806 -23.057 1.00 0.00 O ATOM 23 CB SER A 3 -10.273 -13.076 -23.928 1.00 0.00 C ATOM 24 OG SER A 3 -9.861 -11.721 -23.885 1.00 0.00 O ATOM 0 H SER A 3 -8.849 -13.161 -21.938 1.00 0.00 H new ATOM 0 HA SER A 3 -11.721 -12.944 -22.369 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.435 -13.711 -24.215 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.046 -13.206 -24.686 1.00 0.00 H new ATOM 0 HG SER A 3 -9.519 -11.455 -24.764 1.00 0.00 H new ATOM 30 N GLY A 4 -12.219 -15.347 -21.851 1.00 0.00 N ATOM 31 CA GLY A 4 -12.694 -16.707 -21.642 1.00 0.00 C ATOM 32 C GLY A 4 -14.212 -16.674 -21.543 1.00 0.00 C ATOM 33 O GLY A 4 -14.838 -15.882 -22.257 1.00 0.00 O ATOM 0 H GLY A 4 -12.825 -14.654 -21.412 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.381 -17.349 -22.465 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.263 -17.124 -20.732 1.00 0.00 H new ATOM 37 N SER A 5 -14.808 -17.510 -20.687 1.00 0.00 N ATOM 38 CA SER A 5 -16.251 -17.490 -20.428 1.00 0.00 C ATOM 39 C SER A 5 -16.628 -17.702 -18.951 1.00 0.00 C ATOM 40 O SER A 5 -17.812 -17.597 -18.632 1.00 0.00 O ATOM 41 CB SER A 5 -16.956 -18.536 -21.307 1.00 0.00 C ATOM 42 OG SER A 5 -16.601 -18.426 -22.676 1.00 0.00 O ATOM 0 H SER A 5 -14.304 -18.219 -20.155 1.00 0.00 H new ATOM 0 HA SER A 5 -16.590 -16.486 -20.683 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.705 -19.535 -20.949 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.035 -18.423 -21.205 1.00 0.00 H new ATOM 0 HG SER A 5 -17.073 -19.112 -23.192 1.00 0.00 H new ATOM 48 N SER A 6 -15.690 -17.994 -18.045 1.00 0.00 N ATOM 49 CA SER A 6 -15.976 -18.282 -16.638 1.00 0.00 C ATOM 50 C SER A 6 -15.181 -17.361 -15.715 1.00 0.00 C ATOM 51 O SER A 6 -14.132 -16.831 -16.105 1.00 0.00 O ATOM 52 CB SER A 6 -15.673 -19.761 -16.340 1.00 0.00 C ATOM 53 OG SER A 6 -14.355 -20.115 -16.736 1.00 0.00 O ATOM 0 H SER A 6 -14.697 -18.037 -18.273 1.00 0.00 H new ATOM 0 HA SER A 6 -17.033 -18.095 -16.449 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.796 -19.951 -15.274 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.392 -20.393 -16.861 1.00 0.00 H new ATOM 0 HG SER A 6 -14.195 -21.060 -16.531 1.00 0.00 H new ATOM 59 N GLY A 7 -15.632 -17.251 -14.467 1.00 0.00 N ATOM 60 CA GLY A 7 -14.939 -16.556 -13.394 1.00 0.00 C ATOM 61 C GLY A 7 -15.952 -15.879 -12.488 1.00 0.00 C ATOM 62 O GLY A 7 -16.061 -14.654 -12.519 1.00 0.00 O ATOM 0 H GLY A 7 -16.519 -17.658 -14.169 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.337 -17.260 -12.820 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.255 -15.816 -13.809 1.00 0.00 H new ATOM 66 N SER A 8 -16.701 -16.655 -11.702 1.00 0.00 N ATOM 67 CA SER A 8 -17.600 -16.094 -10.703 1.00 0.00 C ATOM 68 C SER A 8 -16.774 -15.325 -9.664 1.00 0.00 C ATOM 69 O SER A 8 -17.037 -14.143 -9.433 1.00 0.00 O ATOM 70 CB SER A 8 -18.447 -17.221 -10.090 1.00 0.00 C ATOM 71 OG SER A 8 -19.480 -16.740 -9.255 1.00 0.00 O ATOM 0 H SER A 8 -16.700 -17.674 -11.741 1.00 0.00 H new ATOM 0 HA SER A 8 -18.295 -15.385 -11.152 1.00 0.00 H new ATOM 0 HB2 SER A 8 -18.883 -17.818 -10.891 1.00 0.00 H new ATOM 0 HB3 SER A 8 -17.800 -17.883 -9.515 1.00 0.00 H new ATOM 0 HG SER A 8 -19.988 -17.496 -8.894 1.00 0.00 H new ATOM 77 N LEU A 9 -15.767 -15.970 -9.064 1.00 0.00 N ATOM 78 CA LEU A 9 -14.874 -15.342 -8.094 1.00 0.00 C ATOM 79 C LEU A 9 -13.551 -15.012 -8.775 1.00 0.00 C ATOM 80 O LEU A 9 -13.035 -15.842 -9.529 1.00 0.00 O ATOM 81 CB LEU A 9 -14.649 -16.279 -6.888 1.00 0.00 C ATOM 82 CG LEU A 9 -15.167 -15.671 -5.573 1.00 0.00 C ATOM 83 CD1 LEU A 9 -16.698 -15.592 -5.550 1.00 0.00 C ATOM 84 CD2 LEU A 9 -14.690 -16.519 -4.390 1.00 0.00 C ATOM 0 H LEU A 9 -15.550 -16.951 -9.242 1.00 0.00 H new ATOM 0 HA LEU A 9 -15.325 -14.421 -7.724 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -15.152 -17.229 -7.070 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -13.585 -16.495 -6.792 1.00 0.00 H new ATOM 0 HG LEU A 9 -14.771 -14.658 -5.497 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -17.026 -15.157 -4.606 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -17.043 -14.969 -6.375 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -17.116 -16.594 -5.653 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -15.058 -16.086 -3.460 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -15.071 -17.535 -4.493 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -13.600 -16.540 -4.374 1.00 0.00 H new ATOM 96 N GLN A 10 -12.962 -13.856 -8.458 1.00 0.00 N ATOM 97 CA GLN A 10 -11.635 -13.432 -8.896 1.00 0.00 C ATOM 98 C GLN A 10 -11.073 -12.405 -7.915 1.00 0.00 C ATOM 99 O GLN A 10 -11.000 -12.663 -6.713 1.00 0.00 O ATOM 100 CB GLN A 10 -11.621 -13.033 -10.392 1.00 0.00 C ATOM 101 CG GLN A 10 -10.196 -13.200 -10.965 1.00 0.00 C ATOM 102 CD GLN A 10 -9.682 -11.998 -11.743 1.00 0.00 C ATOM 103 OE1 GLN A 10 -9.792 -10.856 -11.304 1.00 0.00 O ATOM 104 NE2 GLN A 10 -9.005 -12.226 -12.849 1.00 0.00 N ATOM 0 H GLN A 10 -13.418 -13.163 -7.864 1.00 0.00 H new ATOM 0 HA GLN A 10 -10.939 -14.270 -8.865 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -12.322 -13.654 -10.950 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -11.950 -12.000 -10.505 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -9.510 -13.405 -10.143 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -10.181 -14.073 -11.618 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -8.918 -13.177 -13.207 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -8.567 -11.451 -13.348 1.00 0.00 H new ATOM 113 N THR A 11 -10.591 -11.304 -8.458 1.00 0.00 N ATOM 114 CA THR A 11 -9.948 -10.163 -7.815 1.00 0.00 C ATOM 115 C THR A 11 -10.476 -8.843 -8.402 1.00 0.00 C ATOM 116 O THR A 11 -11.129 -8.849 -9.449 1.00 0.00 O ATOM 117 CB THR A 11 -8.416 -10.278 -7.970 1.00 0.00 C ATOM 118 OG1 THR A 11 -8.002 -10.601 -9.286 1.00 0.00 O ATOM 119 CG2 THR A 11 -7.834 -11.377 -7.086 1.00 0.00 C ATOM 0 H THR A 11 -10.644 -11.168 -9.468 1.00 0.00 H new ATOM 0 HA THR A 11 -10.188 -10.165 -6.752 1.00 0.00 H new ATOM 0 HB THR A 11 -8.055 -9.289 -7.688 1.00 0.00 H new ATOM 0 HG1 THR A 11 -8.761 -10.510 -9.899 1.00 0.00 H new ATOM 0 HG21 THR A 11 -6.754 -11.423 -7.226 1.00 0.00 H new ATOM 0 HG22 THR A 11 -8.055 -11.159 -6.041 1.00 0.00 H new ATOM 0 HG23 THR A 11 -8.277 -12.335 -7.358 1.00 0.00 H new ATOM 127 N SER A 12 -10.152 -7.712 -7.771 1.00 0.00 N ATOM 128 CA SER A 12 -10.245 -6.386 -8.370 1.00 0.00 C ATOM 129 C SER A 12 -8.971 -5.627 -8.028 1.00 0.00 C ATOM 130 O SER A 12 -8.200 -6.054 -7.171 1.00 0.00 O ATOM 131 CB SER A 12 -11.478 -5.624 -7.872 1.00 0.00 C ATOM 132 OG SER A 12 -12.446 -5.543 -8.902 1.00 0.00 O ATOM 0 H SER A 12 -9.811 -7.696 -6.810 1.00 0.00 H new ATOM 0 HA SER A 12 -10.353 -6.483 -9.450 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.901 -6.128 -7.003 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.192 -4.622 -7.551 1.00 0.00 H new ATOM 0 HG SER A 12 -12.952 -6.381 -8.942 1.00 0.00 H new ATOM 138 N ASP A 13 -8.712 -4.540 -8.741 1.00 0.00 N ATOM 139 CA ASP A 13 -7.509 -3.718 -8.689 1.00 0.00 C ATOM 140 C ASP A 13 -7.958 -2.262 -8.649 1.00 0.00 C ATOM 141 O ASP A 13 -8.266 -1.656 -9.674 1.00 0.00 O ATOM 142 CB ASP A 13 -6.553 -4.058 -9.850 1.00 0.00 C ATOM 143 CG ASP A 13 -7.195 -4.186 -11.238 1.00 0.00 C ATOM 144 OD1 ASP A 13 -7.935 -5.176 -11.456 1.00 0.00 O ATOM 145 OD2 ASP A 13 -6.932 -3.342 -12.121 1.00 0.00 O ATOM 0 H ASP A 13 -9.385 -4.183 -9.420 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.922 -3.919 -7.793 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -5.784 -3.287 -9.898 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.050 -4.997 -9.617 1.00 0.00 H new ATOM 150 N VAL A 14 -8.052 -1.731 -7.433 1.00 0.00 N ATOM 151 CA VAL A 14 -8.736 -0.490 -7.107 1.00 0.00 C ATOM 152 C VAL A 14 -7.695 0.618 -7.060 1.00 0.00 C ATOM 153 O VAL A 14 -6.850 0.602 -6.161 1.00 0.00 O ATOM 154 CB VAL A 14 -9.461 -0.637 -5.746 1.00 0.00 C ATOM 155 CG1 VAL A 14 -10.403 0.555 -5.520 1.00 0.00 C ATOM 156 CG2 VAL A 14 -10.239 -1.959 -5.642 1.00 0.00 C ATOM 0 H VAL A 14 -7.635 -2.175 -6.615 1.00 0.00 H new ATOM 0 HA VAL A 14 -9.488 -0.249 -7.858 1.00 0.00 H new ATOM 0 HB VAL A 14 -8.698 -0.650 -4.968 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -10.908 0.443 -4.561 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -9.826 1.480 -5.520 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -11.144 0.590 -6.318 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -10.730 -2.017 -4.671 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -10.989 -2.003 -6.431 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -9.550 -2.796 -5.750 1.00 0.00 H new ATOM 166 N VAL A 15 -7.701 1.539 -8.026 1.00 0.00 N ATOM 167 CA VAL A 15 -6.819 2.698 -7.959 1.00 0.00 C ATOM 168 C VAL A 15 -7.503 3.763 -7.098 1.00 0.00 C ATOM 169 O VAL A 15 -8.724 3.937 -7.150 1.00 0.00 O ATOM 170 CB VAL A 15 -6.416 3.241 -9.348 1.00 0.00 C ATOM 171 CG1 VAL A 15 -5.048 3.937 -9.247 1.00 0.00 C ATOM 172 CG2 VAL A 15 -6.288 2.145 -10.417 1.00 0.00 C ATOM 0 H VAL A 15 -8.299 1.504 -8.852 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.876 2.397 -7.503 1.00 0.00 H new ATOM 0 HB VAL A 15 -7.210 3.924 -9.648 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.762 4.321 -10.226 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.111 4.762 -8.538 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.300 3.222 -8.905 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -6.003 2.596 -11.368 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.526 1.427 -10.113 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.244 1.634 -10.530 1.00 0.00 H new ATOM 182 N ILE A 16 -6.703 4.461 -6.295 1.00 0.00 N ATOM 183 CA ILE A 16 -7.077 5.606 -5.474 1.00 0.00 C ATOM 184 C ILE A 16 -5.929 6.609 -5.620 1.00 0.00 C ATOM 185 O ILE A 16 -4.772 6.207 -5.776 1.00 0.00 O ATOM 186 CB ILE A 16 -7.303 5.182 -3.997 1.00 0.00 C ATOM 187 CG1 ILE A 16 -8.399 4.095 -3.870 1.00 0.00 C ATOM 188 CG2 ILE A 16 -7.662 6.405 -3.114 1.00 0.00 C ATOM 189 CD1 ILE A 16 -8.456 3.389 -2.514 1.00 0.00 C ATOM 0 H ILE A 16 -5.715 4.226 -6.195 1.00 0.00 H new ATOM 0 HA ILE A 16 -8.020 6.048 -5.794 1.00 0.00 H new ATOM 0 HB ILE A 16 -6.364 4.756 -3.643 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -9.368 4.554 -4.065 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -8.239 3.346 -4.646 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -7.815 6.079 -2.085 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -6.848 7.130 -3.148 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -8.576 6.868 -3.487 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -9.254 2.647 -2.524 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -7.504 2.895 -2.320 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -8.651 4.121 -1.730 1.00 0.00 H new ATOM 201 N HIS A 17 -6.230 7.906 -5.521 1.00 0.00 N ATOM 202 CA HIS A 17 -5.280 9.000 -5.696 1.00 0.00 C ATOM 203 C HIS A 17 -5.411 9.977 -4.521 1.00 0.00 C ATOM 204 O HIS A 17 -6.481 10.036 -3.909 1.00 0.00 O ATOM 205 CB HIS A 17 -5.569 9.669 -7.043 1.00 0.00 C ATOM 206 CG HIS A 17 -5.454 8.709 -8.200 1.00 0.00 C ATOM 207 ND1 HIS A 17 -4.291 8.377 -8.855 1.00 0.00 N ATOM 208 CD2 HIS A 17 -6.470 7.971 -8.749 1.00 0.00 C ATOM 209 CE1 HIS A 17 -4.588 7.445 -9.774 1.00 0.00 C ATOM 210 NE2 HIS A 17 -5.905 7.185 -9.760 1.00 0.00 N ATOM 0 H HIS A 17 -7.173 8.231 -5.310 1.00 0.00 H new ATOM 0 HA HIS A 17 -4.251 8.639 -5.703 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -6.572 10.094 -7.026 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -4.875 10.496 -7.191 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -7.510 7.992 -8.457 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -3.871 6.973 -10.430 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -6.401 6.536 -10.371 1.00 0.00 H new ATOM 218 N ARG A 18 -4.381 10.768 -4.196 1.00 0.00 N ATOM 219 CA ARG A 18 -4.430 11.787 -3.134 1.00 0.00 C ATOM 220 C ARG A 18 -3.626 13.017 -3.551 1.00 0.00 C ATOM 221 O ARG A 18 -3.145 13.080 -4.680 1.00 0.00 O ATOM 222 CB ARG A 18 -3.960 11.208 -1.784 1.00 0.00 C ATOM 223 CG ARG A 18 -2.496 10.738 -1.801 1.00 0.00 C ATOM 224 CD ARG A 18 -1.918 10.331 -0.445 1.00 0.00 C ATOM 225 NE ARG A 18 -0.468 10.089 -0.565 1.00 0.00 N ATOM 226 CZ ARG A 18 0.380 9.698 0.397 1.00 0.00 C ATOM 227 NH1 ARG A 18 -0.045 9.481 1.636 1.00 0.00 N ATOM 228 NH2 ARG A 18 1.661 9.525 0.111 1.00 0.00 N ATOM 0 H ARG A 18 -3.478 10.720 -4.668 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.464 12.101 -2.992 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.082 11.965 -1.009 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.601 10.369 -1.514 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.413 9.890 -2.481 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -1.881 11.538 -2.213 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.104 11.115 0.289 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.416 9.431 -0.084 1.00 0.00 H new ATOM 0 HE ARG A 18 -0.062 10.237 -1.489 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -1.030 9.611 1.868 1.00 0.00 H new ATOM 0 HH12 ARG A 18 0.613 9.184 2.356 1.00 0.00 H new ATOM 0 HH21 ARG A 18 1.998 9.689 -0.837 1.00 0.00 H new ATOM 0 HH22 ARG A 18 2.310 9.228 0.839 1.00 0.00 H new ATOM 242 N LYS A 19 -3.516 14.011 -2.670 1.00 0.00 N ATOM 243 CA LYS A 19 -2.623 15.150 -2.833 1.00 0.00 C ATOM 244 C LYS A 19 -1.416 14.970 -1.908 1.00 0.00 C ATOM 245 O LYS A 19 -1.464 14.174 -0.972 1.00 0.00 O ATOM 246 CB LYS A 19 -3.371 16.460 -2.562 1.00 0.00 C ATOM 247 CG LYS A 19 -4.282 16.861 -3.733 1.00 0.00 C ATOM 248 CD LYS A 19 -5.717 16.324 -3.667 1.00 0.00 C ATOM 249 CE LYS A 19 -5.967 14.927 -4.255 1.00 0.00 C ATOM 250 NZ LYS A 19 -7.331 14.801 -4.816 1.00 0.00 N ATOM 0 H LYS A 19 -4.058 14.044 -1.806 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.263 15.202 -3.860 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.970 16.354 -1.658 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.650 17.256 -2.375 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.322 17.949 -3.783 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.826 16.515 -4.661 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.026 16.312 -2.622 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.367 17.030 -4.184 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.233 14.725 -5.035 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.823 14.175 -3.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.460 13.844 -5.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -8.032 14.969 -4.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.461 15.501 -5.574 1.00 0.00 H new ATOM 264 N GLU A 20 -0.333 15.709 -2.142 1.00 0.00 N ATOM 265 CA GLU A 20 0.902 15.596 -1.366 1.00 0.00 C ATOM 266 C GLU A 20 0.764 16.139 0.065 1.00 0.00 C ATOM 267 O GLU A 20 1.594 15.801 0.912 1.00 0.00 O ATOM 268 CB GLU A 20 2.062 16.322 -2.077 1.00 0.00 C ATOM 269 CG GLU A 20 2.792 15.493 -3.141 1.00 0.00 C ATOM 270 CD GLU A 20 4.180 16.053 -3.459 1.00 0.00 C ATOM 271 OE1 GLU A 20 4.287 17.222 -3.906 1.00 0.00 O ATOM 272 OE2 GLU A 20 5.169 15.309 -3.262 1.00 0.00 O ATOM 0 H GLU A 20 -0.287 16.409 -2.882 1.00 0.00 H new ATOM 0 HA GLU A 20 1.117 14.530 -1.295 1.00 0.00 H new ATOM 0 HB2 GLU A 20 1.672 17.225 -2.547 1.00 0.00 H new ATOM 0 HB3 GLU A 20 2.786 16.640 -1.327 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.888 14.464 -2.794 1.00 0.00 H new ATOM 0 HG3 GLU A 20 2.195 15.468 -4.052 1.00 0.00 H new ATOM 279 N ASN A 21 -0.234 16.978 0.363 1.00 0.00 N ATOM 280 CA ASN A 21 -0.477 17.518 1.709 1.00 0.00 C ATOM 281 C ASN A 21 -1.416 16.632 2.521 1.00 0.00 C ATOM 282 O ASN A 21 -1.827 16.998 3.625 1.00 0.00 O ATOM 283 CB ASN A 21 -1.009 18.967 1.633 1.00 0.00 C ATOM 284 CG ASN A 21 0.077 20.007 1.890 1.00 0.00 C ATOM 285 OD1 ASN A 21 1.004 19.778 2.660 1.00 0.00 O ATOM 286 ND2 ASN A 21 0.004 21.161 1.250 1.00 0.00 N ATOM 0 H ASN A 21 -0.905 17.306 -0.331 1.00 0.00 H new ATOM 0 HA ASN A 21 0.481 17.531 2.230 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.445 19.138 0.649 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.809 19.095 2.363 1.00 0.00 H new ATOM 0 HD21 ASN A 21 0.722 21.871 1.394 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -0.771 21.342 0.612 1.00 0.00 H new ATOM 293 N GLU A 22 -1.797 15.470 1.992 1.00 0.00 N ATOM 294 CA GLU A 22 -2.801 14.648 2.628 1.00 0.00 C ATOM 295 C GLU A 22 -2.454 13.168 2.531 1.00 0.00 C ATOM 296 O GLU A 22 -1.430 12.783 1.962 1.00 0.00 O ATOM 297 CB GLU A 22 -4.179 15.054 2.088 1.00 0.00 C ATOM 298 CG GLU A 22 -4.493 14.527 0.688 1.00 0.00 C ATOM 299 CD GLU A 22 -5.906 14.855 0.199 1.00 0.00 C ATOM 300 OE1 GLU A 22 -6.698 15.528 0.915 1.00 0.00 O ATOM 301 OE2 GLU A 22 -6.205 14.446 -0.947 1.00 0.00 O ATOM 0 H GLU A 22 -1.421 15.085 1.126 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.832 14.822 3.704 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.945 14.697 2.777 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.244 16.142 2.076 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.771 14.942 -0.015 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.359 13.445 0.680 1.00 0.00 H new ATOM 308 N GLY A 23 -3.289 12.339 3.148 1.00 0.00 N ATOM 309 CA GLY A 23 -3.161 10.901 3.164 1.00 0.00 C ATOM 310 C GLY A 23 -4.259 10.286 2.315 1.00 0.00 C ATOM 311 O GLY A 23 -5.216 10.955 1.911 1.00 0.00 O ATOM 0 H GLY A 23 -4.101 12.671 3.668 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.183 10.608 2.781 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.227 10.531 4.187 1.00 0.00 H new ATOM 315 N PHE A 24 -4.141 8.983 2.090 1.00 0.00 N ATOM 316 CA PHE A 24 -5.311 8.171 1.845 1.00 0.00 C ATOM 317 C PHE A 24 -6.062 8.046 3.171 1.00 0.00 C ATOM 318 O PHE A 24 -5.530 8.393 4.230 1.00 0.00 O ATOM 319 CB PHE A 24 -4.875 6.794 1.348 1.00 0.00 C ATOM 320 CG PHE A 24 -3.868 6.832 0.218 1.00 0.00 C ATOM 321 CD1 PHE A 24 -4.293 7.160 -1.081 1.00 0.00 C ATOM 322 CD2 PHE A 24 -2.509 6.553 0.469 1.00 0.00 C ATOM 323 CE1 PHE A 24 -3.359 7.210 -2.126 1.00 0.00 C ATOM 324 CE2 PHE A 24 -1.578 6.590 -0.583 1.00 0.00 C ATOM 325 CZ PHE A 24 -2.005 6.912 -1.883 1.00 0.00 C ATOM 0 H PHE A 24 -3.255 8.477 2.073 1.00 0.00 H new ATOM 0 HA PHE A 24 -5.954 8.620 1.088 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -4.447 6.238 2.182 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -5.756 6.244 1.016 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.334 7.373 -1.274 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -2.183 6.311 1.470 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -3.680 7.478 -3.122 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -0.537 6.372 -0.393 1.00 0.00 H new ATOM 0 HZ PHE A 24 -1.294 6.931 -2.696 1.00 0.00 H new ATOM 335 N GLY A 25 -7.264 7.489 3.128 1.00 0.00 N ATOM 336 CA GLY A 25 -8.088 7.320 4.307 1.00 0.00 C ATOM 337 C GLY A 25 -8.557 5.889 4.438 1.00 0.00 C ATOM 338 O GLY A 25 -9.753 5.660 4.536 1.00 0.00 O ATOM 0 H GLY A 25 -7.693 7.142 2.270 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -7.522 7.604 5.194 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -8.950 7.985 4.252 1.00 0.00 H new ATOM 342 N PHE A 26 -7.640 4.927 4.454 1.00 0.00 N ATOM 343 CA PHE A 26 -7.929 3.537 4.778 1.00 0.00 C ATOM 344 C PHE A 26 -6.905 3.065 5.804 1.00 0.00 C ATOM 345 O PHE A 26 -5.831 3.654 5.928 1.00 0.00 O ATOM 346 CB PHE A 26 -7.948 2.686 3.499 1.00 0.00 C ATOM 347 CG PHE A 26 -6.583 2.437 2.885 1.00 0.00 C ATOM 348 CD1 PHE A 26 -5.966 3.447 2.129 1.00 0.00 C ATOM 349 CD2 PHE A 26 -5.908 1.219 3.095 1.00 0.00 C ATOM 350 CE1 PHE A 26 -4.671 3.262 1.618 1.00 0.00 C ATOM 351 CE2 PHE A 26 -4.625 1.024 2.557 1.00 0.00 C ATOM 352 CZ PHE A 26 -3.998 2.054 1.835 1.00 0.00 C ATOM 0 H PHE A 26 -6.658 5.096 4.238 1.00 0.00 H new ATOM 0 HA PHE A 26 -8.920 3.432 5.219 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.411 1.725 3.724 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.580 3.179 2.760 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.491 4.372 1.939 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -6.377 0.434 3.670 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -4.194 4.052 1.057 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.119 0.080 2.699 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.999 1.914 1.449 1.00 0.00 H new ATOM 362 N VAL A 27 -7.231 2.013 6.544 1.00 0.00 N ATOM 363 CA VAL A 27 -6.425 1.505 7.642 1.00 0.00 C ATOM 364 C VAL A 27 -6.420 -0.008 7.501 1.00 0.00 C ATOM 365 O VAL A 27 -7.486 -0.610 7.376 1.00 0.00 O ATOM 366 CB VAL A 27 -7.011 1.942 9.004 1.00 0.00 C ATOM 367 CG1 VAL A 27 -5.994 1.679 10.122 1.00 0.00 C ATOM 368 CG2 VAL A 27 -7.413 3.424 9.044 1.00 0.00 C ATOM 0 H VAL A 27 -8.085 1.477 6.392 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.410 1.902 7.606 1.00 0.00 H new ATOM 0 HB VAL A 27 -7.915 1.351 9.150 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -6.416 1.990 11.078 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -5.760 0.615 10.158 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.083 2.245 9.926 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -7.817 3.665 10.027 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -6.538 4.044 8.849 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -8.170 3.616 8.284 1.00 0.00 H new ATOM 378 N ILE A 28 -5.246 -0.632 7.496 1.00 0.00 N ATOM 379 CA ILE A 28 -5.106 -2.078 7.470 1.00 0.00 C ATOM 380 C ILE A 28 -5.145 -2.565 8.926 1.00 0.00 C ATOM 381 O ILE A 28 -4.629 -1.878 9.811 1.00 0.00 O ATOM 382 CB ILE A 28 -3.775 -2.477 6.787 1.00 0.00 C ATOM 383 CG1 ILE A 28 -3.554 -1.863 5.381 1.00 0.00 C ATOM 384 CG2 ILE A 28 -3.696 -4.000 6.624 1.00 0.00 C ATOM 385 CD1 ILE A 28 -3.045 -0.414 5.376 1.00 0.00 C ATOM 0 H ILE A 28 -4.354 -0.137 7.510 1.00 0.00 H new ATOM 0 HA ILE A 28 -5.912 -2.537 6.897 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.004 -2.084 7.450 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.841 -2.484 4.838 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -4.495 -1.903 4.832 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.755 -4.266 6.142 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.749 -4.474 7.604 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.528 -4.344 6.009 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.922 -0.075 4.347 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -3.765 0.226 5.885 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -2.086 -0.363 5.892 1.00 0.00 H new ATOM 397 N ILE A 29 -5.693 -3.752 9.175 1.00 0.00 N ATOM 398 CA ILE A 29 -5.485 -4.559 10.352 1.00 0.00 C ATOM 399 C ILE A 29 -5.221 -6.006 9.903 1.00 0.00 C ATOM 400 O ILE A 29 -5.415 -6.339 8.734 1.00 0.00 O ATOM 401 CB ILE A 29 -6.708 -4.435 11.274 1.00 0.00 C ATOM 402 CG1 ILE A 29 -8.019 -5.001 10.686 1.00 0.00 C ATOM 403 CG2 ILE A 29 -6.881 -2.981 11.743 1.00 0.00 C ATOM 404 CD1 ILE A 29 -9.198 -4.890 11.666 1.00 0.00 C ATOM 0 H ILE A 29 -6.331 -4.194 8.513 1.00 0.00 H new ATOM 0 HA ILE A 29 -4.621 -4.221 10.923 1.00 0.00 H new ATOM 0 HB ILE A 29 -6.497 -5.070 12.135 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -8.262 -4.467 9.768 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -7.871 -6.047 10.417 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -7.752 -2.910 12.395 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.992 -2.667 12.289 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -7.023 -2.334 10.877 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -10.095 -5.302 11.204 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -8.969 -5.447 12.575 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -9.367 -3.842 11.915 1.00 0.00 H new ATOM 416 N SER A 30 -4.819 -6.864 10.841 1.00 0.00 N ATOM 417 CA SER A 30 -4.632 -8.299 10.653 1.00 0.00 C ATOM 418 C SER A 30 -5.206 -9.037 11.869 1.00 0.00 C ATOM 419 O SER A 30 -5.779 -8.422 12.778 1.00 0.00 O ATOM 420 CB SER A 30 -3.136 -8.576 10.412 1.00 0.00 C ATOM 421 OG SER A 30 -2.836 -9.953 10.267 1.00 0.00 O ATOM 0 H SER A 30 -4.606 -6.563 11.792 1.00 0.00 H new ATOM 0 HA SER A 30 -5.168 -8.668 9.778 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.815 -8.045 9.515 1.00 0.00 H new ATOM 0 HB3 SER A 30 -2.560 -8.172 11.245 1.00 0.00 H new ATOM 0 HG SER A 30 -1.874 -10.064 10.115 1.00 0.00 H new ATOM 427 N SER A 31 -5.076 -10.356 11.883 1.00 0.00 N ATOM 428 CA SER A 31 -5.314 -11.239 13.005 1.00 0.00 C ATOM 429 C SER A 31 -4.374 -12.417 12.746 1.00 0.00 C ATOM 430 O SER A 31 -4.645 -13.232 11.857 1.00 0.00 O ATOM 431 CB SER A 31 -6.799 -11.633 13.037 1.00 0.00 C ATOM 432 OG SER A 31 -7.260 -11.863 14.352 1.00 0.00 O ATOM 0 H SER A 31 -4.781 -10.868 11.051 1.00 0.00 H new ATOM 0 HA SER A 31 -5.116 -10.798 13.982 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.393 -10.843 12.578 1.00 0.00 H new ATOM 0 HB3 SER A 31 -6.948 -12.532 12.439 1.00 0.00 H new ATOM 0 HG SER A 31 -8.208 -12.109 14.328 1.00 0.00 H new ATOM 438 N LEU A 32 -3.215 -12.434 13.408 1.00 0.00 N ATOM 439 CA LEU A 32 -2.246 -13.519 13.335 1.00 0.00 C ATOM 440 C LEU A 32 -1.281 -13.366 14.505 1.00 0.00 C ATOM 441 O LEU A 32 -0.399 -12.506 14.460 1.00 0.00 O ATOM 442 CB LEU A 32 -1.452 -13.504 12.011 1.00 0.00 C ATOM 443 CG LEU A 32 -0.554 -14.754 11.880 1.00 0.00 C ATOM 444 CD1 LEU A 32 -1.349 -15.953 11.351 1.00 0.00 C ATOM 445 CD2 LEU A 32 0.609 -14.479 10.930 1.00 0.00 C ATOM 0 H LEU A 32 -2.922 -11.674 14.022 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.781 -14.468 13.379 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.144 -13.461 11.170 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.837 -12.605 11.964 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.173 -14.987 12.874 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.691 -16.818 11.269 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.164 -16.181 12.038 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.758 -15.714 10.369 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.231 -15.370 10.849 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.221 -14.217 9.946 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.206 -13.653 11.316 1.00 0.00 H new ATOM 457 N ASN A 33 -1.432 -14.175 15.550 1.00 0.00 N ATOM 458 CA ASN A 33 -0.356 -14.402 16.504 1.00 0.00 C ATOM 459 C ASN A 33 0.792 -15.105 15.789 1.00 0.00 C ATOM 460 O ASN A 33 1.849 -14.493 15.610 1.00 0.00 O ATOM 461 CB ASN A 33 -0.830 -15.186 17.736 1.00 0.00 C ATOM 462 CG ASN A 33 -1.303 -14.226 18.814 1.00 0.00 C ATOM 463 OD1 ASN A 33 -0.513 -13.486 19.390 1.00 0.00 O ATOM 464 ND2 ASN A 33 -2.589 -14.136 19.083 1.00 0.00 N ATOM 0 H ASN A 33 -2.292 -14.684 15.756 1.00 0.00 H new ATOM 0 HA ASN A 33 -0.009 -13.441 16.883 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -1.640 -15.861 17.458 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -0.017 -15.804 18.119 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -2.921 -13.455 19.766 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -3.253 -14.748 18.609 1.00 0.00 H new ATOM 471 N ARG A 34 0.610 -16.361 15.360 1.00 0.00 N ATOM 472 CA ARG A 34 1.667 -17.138 14.711 1.00 0.00 C ATOM 473 C ARG A 34 1.096 -18.286 13.872 1.00 0.00 C ATOM 474 O ARG A 34 -0.013 -18.752 14.158 1.00 0.00 O ATOM 475 CB ARG A 34 2.641 -17.672 15.780 1.00 0.00 C ATOM 476 CG ARG A 34 2.044 -18.626 16.829 1.00 0.00 C ATOM 477 CD ARG A 34 3.176 -19.061 17.768 1.00 0.00 C ATOM 478 NE ARG A 34 2.805 -20.172 18.659 1.00 0.00 N ATOM 479 CZ ARG A 34 2.326 -20.110 19.905 1.00 0.00 C ATOM 480 NH1 ARG A 34 2.000 -18.951 20.462 1.00 0.00 N ATOM 481 NH2 ARG A 34 2.192 -21.220 20.615 1.00 0.00 N ATOM 0 H ARG A 34 -0.273 -16.863 15.454 1.00 0.00 H new ATOM 0 HA ARG A 34 2.205 -16.482 14.026 1.00 0.00 H new ATOM 0 HB2 ARG A 34 3.456 -18.188 15.273 1.00 0.00 H new ATOM 0 HB3 ARG A 34 3.078 -16.820 16.301 1.00 0.00 H new ATOM 0 HG2 ARG A 34 1.252 -18.129 17.390 1.00 0.00 H new ATOM 0 HG3 ARG A 34 1.595 -19.493 16.345 1.00 0.00 H new ATOM 0 HD2 ARG A 34 4.039 -19.357 17.171 1.00 0.00 H new ATOM 0 HD3 ARG A 34 3.484 -18.208 18.373 1.00 0.00 H new ATOM 0 HE ARG A 34 2.929 -21.109 18.277 1.00 0.00 H new ATOM 0 HH11 ARG A 34 2.113 -18.083 19.938 1.00 0.00 H new ATOM 0 HH12 ARG A 34 1.636 -18.927 21.415 1.00 0.00 H new ATOM 0 HH21 ARG A 34 2.454 -22.119 20.210 1.00 0.00 H new ATOM 0 HH22 ARG A 34 1.827 -21.176 21.566 1.00 0.00 H new ATOM 495 N PRO A 35 1.833 -18.795 12.870 1.00 0.00 N ATOM 496 CA PRO A 35 1.494 -20.047 12.199 1.00 0.00 C ATOM 497 C PRO A 35 1.682 -21.240 13.149 1.00 0.00 C ATOM 498 O PRO A 35 2.148 -21.084 14.280 1.00 0.00 O ATOM 499 CB PRO A 35 2.445 -20.117 11.002 1.00 0.00 C ATOM 500 CG PRO A 35 3.690 -19.415 11.532 1.00 0.00 C ATOM 501 CD PRO A 35 3.097 -18.277 12.357 1.00 0.00 C ATOM 0 HA PRO A 35 0.451 -20.085 11.883 1.00 0.00 H new ATOM 0 HB2 PRO A 35 2.653 -21.146 10.708 1.00 0.00 H new ATOM 0 HB3 PRO A 35 2.035 -19.612 10.127 1.00 0.00 H new ATOM 0 HG2 PRO A 35 4.304 -20.080 12.139 1.00 0.00 H new ATOM 0 HG3 PRO A 35 4.323 -19.045 10.725 1.00 0.00 H new ATOM 0 HD2 PRO A 35 3.764 -17.991 13.170 1.00 0.00 H new ATOM 0 HD3 PRO A 35 2.939 -17.388 11.746 1.00 0.00 H new ATOM 509 N GLU A 36 1.323 -22.435 12.690 1.00 0.00 N ATOM 510 CA GLU A 36 1.645 -23.699 13.330 1.00 0.00 C ATOM 511 C GLU A 36 1.894 -24.720 12.220 1.00 0.00 C ATOM 512 O GLU A 36 3.047 -25.024 11.899 1.00 0.00 O ATOM 513 CB GLU A 36 0.531 -24.113 14.312 1.00 0.00 C ATOM 514 CG GLU A 36 0.952 -25.248 15.257 1.00 0.00 C ATOM 515 CD GLU A 36 0.295 -26.575 14.899 1.00 0.00 C ATOM 516 OE1 GLU A 36 0.798 -27.256 13.977 1.00 0.00 O ATOM 517 OE2 GLU A 36 -0.723 -26.919 15.545 1.00 0.00 O ATOM 0 H GLU A 36 0.782 -22.550 11.833 1.00 0.00 H new ATOM 0 HA GLU A 36 2.545 -23.622 13.940 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.236 -23.246 14.904 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.346 -24.426 13.746 1.00 0.00 H new ATOM 0 HG2 GLU A 36 2.036 -25.362 15.224 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.690 -24.981 16.281 1.00 0.00 H new ATOM 524 N SER A 37 0.830 -25.230 11.598 1.00 0.00 N ATOM 525 CA SER A 37 0.905 -26.181 10.505 1.00 0.00 C ATOM 526 C SER A 37 0.988 -25.397 9.191 1.00 0.00 C ATOM 527 O SER A 37 -0.021 -24.873 8.706 1.00 0.00 O ATOM 528 CB SER A 37 -0.283 -27.155 10.596 1.00 0.00 C ATOM 529 OG SER A 37 0.187 -28.481 10.761 1.00 0.00 O ATOM 0 H SER A 37 -0.127 -24.983 11.851 1.00 0.00 H new ATOM 0 HA SER A 37 1.799 -26.802 10.557 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.924 -26.881 11.434 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.890 -27.086 9.693 1.00 0.00 H new ATOM 0 HG SER A 37 -0.576 -29.094 10.820 1.00 0.00 H new ATOM 535 N GLY A 38 2.212 -25.277 8.665 1.00 0.00 N ATOM 536 CA GLY A 38 2.569 -24.696 7.376 1.00 0.00 C ATOM 537 C GLY A 38 1.871 -23.378 7.092 1.00 0.00 C ATOM 538 O GLY A 38 2.159 -22.373 7.750 1.00 0.00 O ATOM 0 H GLY A 38 3.034 -25.609 9.169 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.647 -24.542 7.342 1.00 0.00 H new ATOM 0 HA3 GLY A 38 2.324 -25.406 6.586 1.00 0.00 H new ATOM 542 N SER A 39 0.970 -23.378 6.113 1.00 0.00 N ATOM 543 CA SER A 39 0.144 -22.238 5.767 1.00 0.00 C ATOM 544 C SER A 39 -1.310 -22.690 5.815 1.00 0.00 C ATOM 545 O SER A 39 -1.800 -23.337 4.885 1.00 0.00 O ATOM 546 CB SER A 39 0.540 -21.700 4.385 1.00 0.00 C ATOM 547 OG SER A 39 1.895 -21.275 4.369 1.00 0.00 O ATOM 0 H SER A 39 0.794 -24.194 5.527 1.00 0.00 H new ATOM 0 HA SER A 39 0.286 -21.419 6.472 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.390 -22.475 3.633 1.00 0.00 H new ATOM 0 HB3 SER A 39 -0.109 -20.866 4.117 1.00 0.00 H new ATOM 0 HG SER A 39 2.122 -20.939 3.477 1.00 0.00 H new ATOM 553 N THR A 40 -2.017 -22.329 6.881 1.00 0.00 N ATOM 554 CA THR A 40 -3.466 -22.421 6.939 1.00 0.00 C ATOM 555 C THR A 40 -4.074 -21.314 6.072 1.00 0.00 C ATOM 556 O THR A 40 -3.435 -20.278 5.833 1.00 0.00 O ATOM 557 CB THR A 40 -3.919 -22.320 8.405 1.00 0.00 C ATOM 558 OG1 THR A 40 -3.233 -21.285 9.095 1.00 0.00 O ATOM 559 CG2 THR A 40 -3.639 -23.637 9.130 1.00 0.00 C ATOM 0 H THR A 40 -1.594 -21.962 7.734 1.00 0.00 H new ATOM 0 HA THR A 40 -3.810 -23.379 6.548 1.00 0.00 H new ATOM 0 HB THR A 40 -4.986 -22.100 8.398 1.00 0.00 H new ATOM 0 HG1 THR A 40 -3.546 -21.247 10.023 1.00 0.00 H new ATOM 0 HG21 THR A 40 -3.963 -23.557 10.168 1.00 0.00 H new ATOM 0 HG22 THR A 40 -4.184 -24.444 8.641 1.00 0.00 H new ATOM 0 HG23 THR A 40 -2.570 -23.850 9.099 1.00 0.00 H new ATOM 567 N ILE A 41 -5.293 -21.524 5.580 1.00 0.00 N ATOM 568 CA ILE A 41 -6.033 -20.544 4.804 1.00 0.00 C ATOM 569 C ILE A 41 -6.405 -19.409 5.757 1.00 0.00 C ATOM 570 O ILE A 41 -7.210 -19.581 6.673 1.00 0.00 O ATOM 571 CB ILE A 41 -7.242 -21.196 4.099 1.00 0.00 C ATOM 572 CG1 ILE A 41 -6.738 -22.229 3.064 1.00 0.00 C ATOM 573 CG2 ILE A 41 -8.106 -20.128 3.403 1.00 0.00 C ATOM 574 CD1 ILE A 41 -7.859 -22.971 2.334 1.00 0.00 C ATOM 0 H ILE A 41 -5.800 -22.399 5.715 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.434 -20.134 3.991 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.857 -21.699 4.845 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -6.115 -21.719 2.330 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.103 -22.956 3.570 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -8.953 -20.608 2.912 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -8.472 -19.417 4.143 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -7.506 -19.602 2.660 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -7.427 -23.677 1.625 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -8.469 -23.511 3.058 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -8.481 -22.254 1.798 1.00 0.00 H new ATOM 586 N THR A 42 -5.810 -18.244 5.539 1.00 0.00 N ATOM 587 CA THR A 42 -6.102 -17.004 6.244 1.00 0.00 C ATOM 588 C THR A 42 -5.661 -15.836 5.353 1.00 0.00 C ATOM 589 O THR A 42 -5.076 -16.034 4.285 1.00 0.00 O ATOM 590 CB THR A 42 -5.434 -17.023 7.642 1.00 0.00 C ATOM 591 OG1 THR A 42 -5.901 -15.936 8.428 1.00 0.00 O ATOM 592 CG2 THR A 42 -3.903 -16.997 7.598 1.00 0.00 C ATOM 0 H THR A 42 -5.079 -18.133 4.836 1.00 0.00 H new ATOM 0 HA THR A 42 -7.169 -16.885 6.433 1.00 0.00 H new ATOM 0 HB THR A 42 -5.720 -17.973 8.093 1.00 0.00 H new ATOM 0 HG1 THR A 42 -5.472 -15.961 9.309 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.509 -17.012 8.614 1.00 0.00 H new ATOM 0 HG22 THR A 42 -3.540 -17.870 7.055 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.569 -16.091 7.093 1.00 0.00 H new ATOM 600 N VAL A 43 -5.941 -14.608 5.778 1.00 0.00 N ATOM 601 CA VAL A 43 -5.348 -13.401 5.231 1.00 0.00 C ATOM 602 C VAL A 43 -4.756 -12.595 6.393 1.00 0.00 C ATOM 603 O VAL A 43 -5.377 -12.545 7.462 1.00 0.00 O ATOM 604 CB VAL A 43 -6.394 -12.646 4.395 1.00 0.00 C ATOM 605 CG1 VAL A 43 -7.610 -12.198 5.191 1.00 0.00 C ATOM 606 CG2 VAL A 43 -5.768 -11.469 3.652 1.00 0.00 C ATOM 0 H VAL A 43 -6.604 -14.424 6.531 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.530 -13.617 4.543 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.760 -13.368 3.665 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.302 -11.673 4.533 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -8.106 -13.069 5.619 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.294 -11.530 5.993 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -6.534 -10.957 3.071 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.333 -10.775 4.371 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.989 -11.834 2.983 1.00 0.00 H new ATOM 616 N PRO A 44 -3.576 -11.972 6.239 1.00 0.00 N ATOM 617 CA PRO A 44 -3.140 -10.928 7.140 1.00 0.00 C ATOM 618 C PRO A 44 -3.890 -9.628 6.811 1.00 0.00 C ATOM 619 O PRO A 44 -4.869 -9.304 7.475 1.00 0.00 O ATOM 620 CB PRO A 44 -1.620 -10.848 6.976 1.00 0.00 C ATOM 621 CG PRO A 44 -1.361 -11.350 5.554 1.00 0.00 C ATOM 622 CD PRO A 44 -2.563 -12.245 5.229 1.00 0.00 C ATOM 0 HA PRO A 44 -3.366 -11.124 8.188 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -1.260 -9.828 7.109 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -1.108 -11.465 7.714 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -1.283 -10.521 4.850 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -0.426 -11.907 5.495 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -2.945 -12.032 4.231 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -2.277 -13.297 5.243 1.00 0.00 H new ATOM 630 N HIS A 45 -3.450 -8.896 5.781 1.00 0.00 N ATOM 631 CA HIS A 45 -3.892 -7.538 5.492 1.00 0.00 C ATOM 632 C HIS A 45 -5.373 -7.500 5.114 1.00 0.00 C ATOM 633 O HIS A 45 -5.765 -8.005 4.056 1.00 0.00 O ATOM 634 CB HIS A 45 -3.048 -6.930 4.357 1.00 0.00 C ATOM 635 CG HIS A 45 -1.712 -6.380 4.787 1.00 0.00 C ATOM 636 ND1 HIS A 45 -0.798 -6.946 5.645 1.00 0.00 N ATOM 637 CD2 HIS A 45 -1.232 -5.146 4.442 1.00 0.00 C ATOM 638 CE1 HIS A 45 0.176 -6.045 5.848 1.00 0.00 C ATOM 639 NE2 HIS A 45 -0.061 -4.917 5.162 1.00 0.00 N ATOM 0 H HIS A 45 -2.762 -9.244 5.114 1.00 0.00 H new ATOM 0 HA HIS A 45 -3.757 -6.948 6.398 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -2.883 -7.694 3.597 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -3.620 -6.130 3.886 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -0.851 -7.880 6.052 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -1.683 -4.467 3.734 1.00 0.00 H new ATOM 0 HE1 HIS A 45 1.037 -6.207 6.480 1.00 0.00 H new ATOM 647 N LYS A 46 -6.193 -6.829 5.925 1.00 0.00 N ATOM 648 CA LYS A 46 -7.568 -6.490 5.576 1.00 0.00 C ATOM 649 C LYS A 46 -7.834 -5.034 5.969 1.00 0.00 C ATOM 650 O LYS A 46 -7.239 -4.539 6.924 1.00 0.00 O ATOM 651 CB LYS A 46 -8.525 -7.523 6.221 1.00 0.00 C ATOM 652 CG LYS A 46 -8.944 -7.187 7.668 1.00 0.00 C ATOM 653 CD LYS A 46 -10.168 -7.967 8.172 1.00 0.00 C ATOM 654 CE LYS A 46 -10.412 -7.476 9.605 1.00 0.00 C ATOM 655 NZ LYS A 46 -11.506 -8.186 10.291 1.00 0.00 N ATOM 0 H LYS A 46 -5.915 -6.504 6.851 1.00 0.00 H new ATOM 0 HA LYS A 46 -7.746 -6.550 4.502 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -9.421 -7.604 5.606 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.044 -8.501 6.213 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.103 -7.386 8.332 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -9.156 -6.120 7.733 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -11.037 -7.782 7.541 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.983 -9.041 8.152 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -9.495 -7.594 10.182 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -10.639 -6.410 9.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -11.617 -7.806 11.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -12.391 -8.054 9.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -11.282 -9.200 10.344 1.00 0.00 H new ATOM 669 N ILE A 47 -8.744 -4.344 5.282 1.00 0.00 N ATOM 670 CA ILE A 47 -9.255 -3.030 5.679 1.00 0.00 C ATOM 671 C ILE A 47 -9.923 -3.143 7.057 1.00 0.00 C ATOM 672 O ILE A 47 -10.943 -3.817 7.184 1.00 0.00 O ATOM 673 CB ILE A 47 -10.253 -2.498 4.619 1.00 0.00 C ATOM 674 CG1 ILE A 47 -9.649 -2.386 3.202 1.00 0.00 C ATOM 675 CG2 ILE A 47 -10.851 -1.141 5.049 1.00 0.00 C ATOM 676 CD1 ILE A 47 -8.583 -1.300 3.068 1.00 0.00 C ATOM 0 H ILE A 47 -9.156 -4.689 4.415 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.430 -2.321 5.744 1.00 0.00 H new ATOM 0 HB ILE A 47 -11.047 -3.243 4.564 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -9.212 -3.346 2.927 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -10.450 -2.185 2.491 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -11.547 -0.792 4.286 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -11.379 -1.259 5.995 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -10.050 -0.412 5.169 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -8.207 -1.283 2.045 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -9.019 -0.331 3.310 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -7.762 -1.510 3.753 1.00 0.00 H new ATOM 688 N GLY A 48 -9.392 -2.474 8.076 1.00 0.00 N ATOM 689 CA GLY A 48 -10.014 -2.360 9.389 1.00 0.00 C ATOM 690 C GLY A 48 -10.923 -1.144 9.503 1.00 0.00 C ATOM 691 O GLY A 48 -11.987 -1.240 10.111 1.00 0.00 O ATOM 0 H GLY A 48 -8.499 -1.986 8.010 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -10.592 -3.261 9.593 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.237 -2.301 10.151 1.00 0.00 H new ATOM 695 N ARG A 49 -10.529 -0.004 8.930 1.00 0.00 N ATOM 696 CA ARG A 49 -11.322 1.232 8.943 1.00 0.00 C ATOM 697 C ARG A 49 -11.045 2.028 7.677 1.00 0.00 C ATOM 698 O ARG A 49 -10.005 1.828 7.049 1.00 0.00 O ATOM 699 CB ARG A 49 -10.950 2.052 10.197 1.00 0.00 C ATOM 700 CG ARG A 49 -11.971 3.136 10.590 1.00 0.00 C ATOM 701 CD ARG A 49 -11.465 3.963 11.781 1.00 0.00 C ATOM 702 NE ARG A 49 -12.512 4.811 12.365 1.00 0.00 N ATOM 703 CZ ARG A 49 -13.493 4.404 13.182 1.00 0.00 C ATOM 704 NH1 ARG A 49 -13.577 3.131 13.568 1.00 0.00 N ATOM 705 NH2 ARG A 49 -14.368 5.303 13.628 1.00 0.00 N ATOM 0 H ARG A 49 -9.641 0.090 8.438 1.00 0.00 H new ATOM 0 HA ARG A 49 -12.386 0.997 8.975 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -10.827 1.368 11.037 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -9.984 2.528 10.029 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -12.156 3.792 9.739 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -12.922 2.669 10.845 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -11.078 3.291 12.547 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.634 4.589 11.457 1.00 0.00 H new ATOM 0 HE ARG A 49 -12.490 5.802 12.126 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -12.889 2.453 13.241 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -14.329 2.835 14.190 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -14.284 6.280 13.347 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -15.123 5.015 14.251 1.00 0.00 H new ATOM 719 N ILE A 50 -11.938 2.958 7.349 1.00 0.00 N ATOM 720 CA ILE A 50 -11.784 3.974 6.322 1.00 0.00 C ATOM 721 C ILE A 50 -12.198 5.298 6.967 1.00 0.00 C ATOM 722 O ILE A 50 -13.159 5.341 7.732 1.00 0.00 O ATOM 723 CB ILE A 50 -12.612 3.566 5.081 1.00 0.00 C ATOM 724 CG1 ILE A 50 -11.785 2.563 4.244 1.00 0.00 C ATOM 725 CG2 ILE A 50 -13.042 4.761 4.211 1.00 0.00 C ATOM 726 CD1 ILE A 50 -12.613 1.826 3.190 1.00 0.00 C ATOM 0 H ILE A 50 -12.839 3.023 7.823 1.00 0.00 H new ATOM 0 HA ILE A 50 -10.763 4.083 5.957 1.00 0.00 H new ATOM 0 HB ILE A 50 -13.536 3.109 5.436 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -10.973 3.096 3.750 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -11.328 1.833 4.912 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -13.619 4.402 3.359 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -13.655 5.440 4.803 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -12.157 5.288 3.854 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -11.972 1.138 2.639 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -13.410 1.266 3.680 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -13.049 2.548 2.499 1.00 0.00 H new ATOM 738 N ILE A 51 -11.434 6.357 6.721 1.00 0.00 N ATOM 739 CA ILE A 51 -11.650 7.696 7.222 1.00 0.00 C ATOM 740 C ILE A 51 -12.722 8.358 6.359 1.00 0.00 C ATOM 741 O ILE A 51 -12.653 8.338 5.127 1.00 0.00 O ATOM 742 CB ILE A 51 -10.294 8.434 7.188 1.00 0.00 C ATOM 743 CG1 ILE A 51 -9.321 7.930 8.276 1.00 0.00 C ATOM 744 CG2 ILE A 51 -10.456 9.932 7.428 1.00 0.00 C ATOM 745 CD1 ILE A 51 -8.722 6.543 8.077 1.00 0.00 C ATOM 0 H ILE A 51 -10.603 6.293 6.133 1.00 0.00 H new ATOM 0 HA ILE A 51 -12.009 7.712 8.251 1.00 0.00 H new ATOM 0 HB ILE A 51 -9.895 8.234 6.193 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -8.502 8.645 8.356 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -9.846 7.939 9.231 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -9.479 10.413 7.396 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -11.095 10.357 6.655 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -10.910 10.097 8.405 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -8.058 6.311 8.910 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -9.522 5.804 8.034 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -8.157 6.521 7.145 1.00 0.00 H new ATOM 757 N ASP A 52 -13.685 8.973 7.038 1.00 0.00 N ATOM 758 CA ASP A 52 -14.797 9.713 6.462 1.00 0.00 C ATOM 759 C ASP A 52 -14.259 10.807 5.540 1.00 0.00 C ATOM 760 O ASP A 52 -13.350 11.553 5.923 1.00 0.00 O ATOM 761 CB ASP A 52 -15.594 10.382 7.591 1.00 0.00 C ATOM 762 CG ASP A 52 -16.296 9.436 8.557 1.00 0.00 C ATOM 763 OD1 ASP A 52 -16.963 8.462 8.150 1.00 0.00 O ATOM 764 OD2 ASP A 52 -16.193 9.670 9.781 1.00 0.00 O ATOM 0 H ASP A 52 -13.710 8.967 8.058 1.00 0.00 H new ATOM 0 HA ASP A 52 -15.433 9.029 5.900 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -14.916 11.017 8.162 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -16.343 11.036 7.144 1.00 0.00 H new ATOM 769 N GLY A 53 -14.823 10.929 4.339 1.00 0.00 N ATOM 770 CA GLY A 53 -14.577 12.059 3.446 1.00 0.00 C ATOM 771 C GLY A 53 -13.355 11.843 2.554 1.00 0.00 C ATOM 772 O GLY A 53 -13.105 12.651 1.653 1.00 0.00 O ATOM 0 H GLY A 53 -15.469 10.239 3.956 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -15.455 12.222 2.821 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -14.435 12.963 4.039 1.00 0.00 H new ATOM 776 N SER A 54 -12.573 10.789 2.803 1.00 0.00 N ATOM 777 CA SER A 54 -11.277 10.624 2.171 1.00 0.00 C ATOM 778 C SER A 54 -11.381 10.283 0.684 1.00 0.00 C ATOM 779 O SER A 54 -12.436 9.835 0.224 1.00 0.00 O ATOM 780 CB SER A 54 -10.478 9.550 2.914 1.00 0.00 C ATOM 781 OG SER A 54 -11.143 8.300 2.942 1.00 0.00 O ATOM 0 H SER A 54 -12.824 10.036 3.444 1.00 0.00 H new ATOM 0 HA SER A 54 -10.759 11.581 2.232 1.00 0.00 H new ATOM 0 HB2 SER A 54 -9.506 9.430 2.436 1.00 0.00 H new ATOM 0 HB3 SER A 54 -10.292 9.882 3.936 1.00 0.00 H new ATOM 0 HG SER A 54 -11.497 8.138 3.841 1.00 0.00 H new ATOM 787 N PRO A 55 -10.257 10.371 -0.050 1.00 0.00 N ATOM 788 CA PRO A 55 -10.154 9.807 -1.383 1.00 0.00 C ATOM 789 C PRO A 55 -10.528 8.325 -1.408 1.00 0.00 C ATOM 790 O PRO A 55 -11.196 7.889 -2.340 1.00 0.00 O ATOM 791 CB PRO A 55 -8.711 10.027 -1.840 1.00 0.00 C ATOM 792 CG PRO A 55 -7.971 10.701 -0.683 1.00 0.00 C ATOM 793 CD PRO A 55 -9.055 11.112 0.310 1.00 0.00 C ATOM 0 HA PRO A 55 -10.856 10.296 -2.058 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -8.240 9.079 -2.098 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -8.681 10.652 -2.733 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -7.256 10.018 -0.223 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.407 11.567 -1.029 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -8.751 10.883 1.331 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -9.234 12.186 0.264 1.00 0.00 H new ATOM 801 N ALA A 56 -10.122 7.551 -0.391 1.00 0.00 N ATOM 802 CA ALA A 56 -10.451 6.130 -0.311 1.00 0.00 C ATOM 803 C ALA A 56 -11.970 5.961 -0.250 1.00 0.00 C ATOM 804 O ALA A 56 -12.557 5.313 -1.113 1.00 0.00 O ATOM 805 CB ALA A 56 -9.748 5.476 0.891 1.00 0.00 C ATOM 0 H ALA A 56 -9.562 7.893 0.390 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.089 5.621 -1.204 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -10.007 4.418 0.932 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.669 5.582 0.783 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -10.070 5.964 1.811 1.00 0.00 H new ATOM 811 N ASP A 57 -12.598 6.610 0.730 1.00 0.00 N ATOM 812 CA ASP A 57 -14.040 6.594 0.959 1.00 0.00 C ATOM 813 C ASP A 57 -14.834 7.074 -0.266 1.00 0.00 C ATOM 814 O ASP A 57 -15.946 6.602 -0.492 1.00 0.00 O ATOM 815 CB ASP A 57 -14.308 7.469 2.192 1.00 0.00 C ATOM 816 CG ASP A 57 -15.750 7.498 2.683 1.00 0.00 C ATOM 817 OD1 ASP A 57 -16.426 6.448 2.729 1.00 0.00 O ATOM 818 OD2 ASP A 57 -16.174 8.609 3.081 1.00 0.00 O ATOM 0 H ASP A 57 -12.097 7.182 1.410 1.00 0.00 H new ATOM 0 HA ASP A 57 -14.379 5.573 1.132 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -13.673 7.120 3.007 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -14.001 8.490 1.964 1.00 0.00 H new ATOM 823 N ARG A 58 -14.287 7.983 -1.087 1.00 0.00 N ATOM 824 CA ARG A 58 -14.939 8.415 -2.329 1.00 0.00 C ATOM 825 C ARG A 58 -14.689 7.503 -3.526 1.00 0.00 C ATOM 826 O ARG A 58 -15.548 7.461 -4.402 1.00 0.00 O ATOM 827 CB ARG A 58 -14.547 9.850 -2.705 1.00 0.00 C ATOM 828 CG ARG A 58 -15.132 10.841 -1.698 1.00 0.00 C ATOM 829 CD ARG A 58 -15.381 12.214 -2.320 1.00 0.00 C ATOM 830 NE ARG A 58 -15.819 13.197 -1.318 1.00 0.00 N ATOM 831 CZ ARG A 58 -16.974 13.205 -0.641 1.00 0.00 C ATOM 832 NH1 ARG A 58 -17.930 12.312 -0.875 1.00 0.00 N ATOM 833 NH2 ARG A 58 -17.153 14.134 0.287 1.00 0.00 N ATOM 0 H ARG A 58 -13.390 8.434 -0.910 1.00 0.00 H new ATOM 0 HA ARG A 58 -16.004 8.362 -2.103 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -13.461 9.943 -2.729 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -14.909 10.083 -3.707 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -16.069 10.447 -1.305 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -14.450 10.944 -0.854 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -14.468 12.566 -2.800 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -16.138 12.128 -3.100 1.00 0.00 H new ATOM 0 HE ARG A 58 -15.170 13.958 -1.116 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -17.794 11.594 -1.587 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -18.799 12.344 -0.342 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -16.420 14.820 0.470 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -18.023 14.163 0.818 1.00 0.00 H new ATOM 847 N CYS A 59 -13.556 6.803 -3.614 1.00 0.00 N ATOM 848 CA CYS A 59 -13.303 5.917 -4.752 1.00 0.00 C ATOM 849 C CYS A 59 -14.214 4.695 -4.732 1.00 0.00 C ATOM 850 O CYS A 59 -14.508 4.156 -5.806 1.00 0.00 O ATOM 851 CB CYS A 59 -11.849 5.443 -4.771 1.00 0.00 C ATOM 852 SG CYS A 59 -10.770 6.827 -5.224 1.00 0.00 S ATOM 0 H CYS A 59 -12.808 6.831 -2.921 1.00 0.00 H new ATOM 0 HA CYS A 59 -13.511 6.501 -5.649 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -11.569 5.055 -3.792 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -11.730 4.627 -5.484 1.00 0.00 H new ATOM 0 HG CYS A 59 -10.627 7.618 -4.202 1.00 0.00 H new ATOM 858 N ALA A 60 -14.655 4.273 -3.538 1.00 0.00 N ATOM 859 CA ALA A 60 -15.352 3.013 -3.329 1.00 0.00 C ATOM 860 C ALA A 60 -14.556 1.848 -3.945 1.00 0.00 C ATOM 861 O ALA A 60 -13.339 1.951 -4.116 1.00 0.00 O ATOM 862 CB ALA A 60 -16.794 3.147 -3.832 1.00 0.00 C ATOM 0 H ALA A 60 -14.531 4.813 -2.681 1.00 0.00 H new ATOM 0 HA ALA A 60 -15.420 2.774 -2.268 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -17.322 2.206 -3.678 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -17.299 3.941 -3.281 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -16.788 3.390 -4.895 1.00 0.00 H new ATOM 868 N LYS A 61 -15.211 0.709 -4.198 1.00 0.00 N ATOM 869 CA LYS A 61 -14.589 -0.577 -4.523 1.00 0.00 C ATOM 870 C LYS A 61 -13.678 -1.108 -3.412 1.00 0.00 C ATOM 871 O LYS A 61 -13.012 -2.123 -3.606 1.00 0.00 O ATOM 872 CB LYS A 61 -13.881 -0.521 -5.892 1.00 0.00 C ATOM 873 CG LYS A 61 -14.567 -1.445 -6.897 1.00 0.00 C ATOM 874 CD LYS A 61 -13.673 -1.793 -8.098 1.00 0.00 C ATOM 875 CE LYS A 61 -13.156 -0.572 -8.873 1.00 0.00 C ATOM 876 NZ LYS A 61 -14.228 0.134 -9.601 1.00 0.00 N ATOM 0 H LYS A 61 -16.230 0.657 -4.181 1.00 0.00 H new ATOM 0 HA LYS A 61 -15.396 -1.305 -4.599 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -13.888 0.502 -6.268 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -12.837 -0.812 -5.778 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -14.864 -2.365 -6.393 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -15.480 -0.969 -7.256 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -12.820 -2.373 -7.746 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -14.233 -2.432 -8.781 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -12.678 0.119 -8.178 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -12.392 -0.893 -9.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -13.826 0.949 -10.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -14.669 -0.514 -10.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -14.946 0.466 -8.926 1.00 0.00 H new ATOM 890 N LEU A 62 -13.644 -0.422 -2.273 1.00 0.00 N ATOM 891 CA LEU A 62 -12.793 -0.683 -1.135 1.00 0.00 C ATOM 892 C LEU A 62 -13.581 -0.304 0.112 1.00 0.00 C ATOM 893 O LEU A 62 -13.813 0.879 0.365 1.00 0.00 O ATOM 894 CB LEU A 62 -11.504 0.143 -1.240 1.00 0.00 C ATOM 895 CG LEU A 62 -10.513 -0.262 -0.137 1.00 0.00 C ATOM 896 CD1 LEU A 62 -9.800 -1.565 -0.527 1.00 0.00 C ATOM 897 CD2 LEU A 62 -9.507 0.868 0.085 1.00 0.00 C ATOM 0 H LEU A 62 -14.253 0.382 -2.119 1.00 0.00 H new ATOM 0 HA LEU A 62 -12.504 -1.733 -1.094 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -11.048 -0.006 -2.219 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -11.737 1.204 -1.155 1.00 0.00 H new ATOM 0 HG LEU A 62 -11.051 -0.436 0.795 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.099 -1.846 0.259 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -10.537 -2.358 -0.657 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -9.257 -1.417 -1.461 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.804 0.581 0.867 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.963 1.058 -0.840 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.036 1.772 0.387 1.00 0.00 H new ATOM 909 N LYS A 63 -14.005 -1.296 0.885 1.00 0.00 N ATOM 910 CA LYS A 63 -14.842 -1.148 2.068 1.00 0.00 C ATOM 911 C LYS A 63 -14.288 -1.982 3.220 1.00 0.00 C ATOM 912 O LYS A 63 -13.305 -2.722 3.092 1.00 0.00 O ATOM 913 CB LYS A 63 -16.294 -1.504 1.697 1.00 0.00 C ATOM 914 CG LYS A 63 -17.007 -0.302 1.058 1.00 0.00 C ATOM 915 CD LYS A 63 -18.378 -0.703 0.502 1.00 0.00 C ATOM 916 CE LYS A 63 -19.291 0.514 0.300 1.00 0.00 C ATOM 917 NZ LYS A 63 -19.939 0.974 1.546 1.00 0.00 N ATOM 0 H LYS A 63 -13.764 -2.269 0.696 1.00 0.00 H new ATOM 0 HA LYS A 63 -14.836 -0.116 2.418 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -16.301 -2.346 1.005 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -16.834 -1.820 2.589 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -17.129 0.488 1.799 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -16.391 0.105 0.256 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -18.247 -1.221 -0.448 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -18.855 -1.406 1.185 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -18.706 1.332 -0.120 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -20.061 0.264 -0.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -20.541 1.797 1.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -20.523 0.207 1.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -19.210 1.242 2.238 1.00 0.00 H new ATOM 931 N VAL A 64 -14.863 -1.783 4.405 1.00 0.00 N ATOM 932 CA VAL A 64 -14.383 -2.394 5.629 1.00 0.00 C ATOM 933 C VAL A 64 -14.812 -3.860 5.652 1.00 0.00 C ATOM 934 O VAL A 64 -15.950 -4.190 5.992 1.00 0.00 O ATOM 935 CB VAL A 64 -14.844 -1.587 6.854 1.00 0.00 C ATOM 936 CG1 VAL A 64 -14.282 -2.235 8.122 1.00 0.00 C ATOM 937 CG2 VAL A 64 -14.352 -0.130 6.787 1.00 0.00 C ATOM 0 H VAL A 64 -15.681 -1.188 4.536 1.00 0.00 H new ATOM 0 HA VAL A 64 -13.294 -2.378 5.668 1.00 0.00 H new ATOM 0 HB VAL A 64 -15.934 -1.585 6.867 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -14.605 -1.667 8.995 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -14.647 -3.259 8.200 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -13.193 -2.240 8.076 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -14.696 0.411 7.668 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -13.263 -0.115 6.754 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -14.749 0.347 5.891 1.00 0.00 H new ATOM 947 N GLY A 65 -13.877 -4.744 5.329 1.00 0.00 N ATOM 948 CA GLY A 65 -14.044 -6.179 5.184 1.00 0.00 C ATOM 949 C GLY A 65 -13.241 -6.651 3.980 1.00 0.00 C ATOM 950 O GLY A 65 -12.946 -7.843 3.862 1.00 0.00 O ATOM 0 H GLY A 65 -12.916 -4.454 5.150 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -13.707 -6.690 6.086 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -15.098 -6.424 5.054 1.00 0.00 H new ATOM 954 N ASP A 66 -12.772 -5.718 3.143 1.00 0.00 N ATOM 955 CA ASP A 66 -12.023 -6.065 1.962 1.00 0.00 C ATOM 956 C ASP A 66 -10.642 -6.483 2.411 1.00 0.00 C ATOM 957 O ASP A 66 -9.869 -5.730 3.011 1.00 0.00 O ATOM 958 CB ASP A 66 -12.041 -4.948 0.916 1.00 0.00 C ATOM 959 CG ASP A 66 -13.455 -4.715 0.374 1.00 0.00 C ATOM 960 OD1 ASP A 66 -14.394 -5.447 0.786 1.00 0.00 O ATOM 961 OD2 ASP A 66 -13.626 -3.725 -0.351 1.00 0.00 O ATOM 0 H ASP A 66 -12.907 -4.716 3.276 1.00 0.00 H new ATOM 0 HA ASP A 66 -12.484 -6.903 1.439 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -11.663 -4.027 1.358 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -11.372 -5.205 0.095 1.00 0.00 H new ATOM 966 N ARG A 67 -10.394 -7.774 2.253 1.00 0.00 N ATOM 967 CA ARG A 67 -9.066 -8.347 2.262 1.00 0.00 C ATOM 968 C ARG A 67 -8.220 -7.742 1.150 1.00 0.00 C ATOM 969 O ARG A 67 -8.762 -7.276 0.149 1.00 0.00 O ATOM 970 CB ARG A 67 -9.134 -9.854 2.035 1.00 0.00 C ATOM 971 CG ARG A 67 -10.202 -10.666 2.743 1.00 0.00 C ATOM 972 CD ARG A 67 -10.285 -10.314 4.226 1.00 0.00 C ATOM 973 NE ARG A 67 -11.139 -11.248 4.983 1.00 0.00 N ATOM 974 CZ ARG A 67 -12.474 -11.352 4.966 1.00 0.00 C ATOM 975 NH1 ARG A 67 -13.219 -10.558 4.204 1.00 0.00 N ATOM 976 NH2 ARG A 67 -13.049 -12.261 5.744 1.00 0.00 N ATOM 0 H ARG A 67 -11.131 -8.465 2.112 1.00 0.00 H new ATOM 0 HA ARG A 67 -8.619 -8.134 3.233 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -9.254 -10.018 0.964 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -8.167 -10.271 2.315 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -11.168 -10.487 2.271 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -9.985 -11.728 2.632 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -9.282 -10.317 4.653 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -10.675 -9.302 4.334 1.00 0.00 H new ATOM 0 HE ARG A 67 -10.650 -11.898 5.598 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -12.775 -9.852 3.617 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -14.234 -10.655 4.207 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -12.476 -12.861 6.337 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -14.064 -12.360 5.749 1.00 0.00 H new ATOM 990 N ILE A 68 -6.904 -7.825 1.290 1.00 0.00 N ATOM 991 CA ILE A 68 -5.958 -7.214 0.365 1.00 0.00 C ATOM 992 C ILE A 68 -4.928 -8.286 0.017 1.00 0.00 C ATOM 993 O ILE A 68 -4.404 -8.962 0.909 1.00 0.00 O ATOM 994 CB ILE A 68 -5.316 -5.949 0.982 1.00 0.00 C ATOM 995 CG1 ILE A 68 -6.353 -4.967 1.586 1.00 0.00 C ATOM 996 CG2 ILE A 68 -4.491 -5.236 -0.103 1.00 0.00 C ATOM 997 CD1 ILE A 68 -5.715 -3.831 2.391 1.00 0.00 C ATOM 0 H ILE A 68 -6.457 -8.325 2.059 1.00 0.00 H new ATOM 0 HA ILE A 68 -6.454 -6.872 -0.543 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.683 -6.272 1.809 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -6.951 -4.541 0.781 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -7.035 -5.521 2.231 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -4.032 -4.341 0.318 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.712 -5.906 -0.467 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -5.143 -4.954 -0.930 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -6.496 -3.181 2.785 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -5.140 -4.249 3.217 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -5.054 -3.253 1.744 1.00 0.00 H new ATOM 1009 N LEU A 69 -4.635 -8.455 -1.271 1.00 0.00 N ATOM 1010 CA LEU A 69 -3.627 -9.383 -1.770 1.00 0.00 C ATOM 1011 C LEU A 69 -2.240 -8.756 -1.741 1.00 0.00 C ATOM 1012 O LEU A 69 -1.301 -9.373 -1.242 1.00 0.00 O ATOM 1013 CB LEU A 69 -3.976 -9.829 -3.200 1.00 0.00 C ATOM 1014 CG LEU A 69 -4.862 -11.086 -3.214 1.00 0.00 C ATOM 1015 CD1 LEU A 69 -5.488 -11.260 -4.598 1.00 0.00 C ATOM 1016 CD2 LEU A 69 -4.052 -12.342 -2.869 1.00 0.00 C ATOM 0 H LEU A 69 -5.105 -7.937 -2.013 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.619 -10.255 -1.116 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -4.489 -9.018 -3.717 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.057 -10.027 -3.752 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.640 -10.957 -2.462 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.115 -12.152 -4.604 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.096 -10.387 -4.835 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.700 -11.366 -5.343 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.707 -13.213 -2.887 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.254 -12.472 -3.600 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.619 -12.234 -1.874 1.00 0.00 H new ATOM 1028 N ALA A 70 -2.106 -7.560 -2.309 1.00 0.00 N ATOM 1029 CA ALA A 70 -0.833 -6.953 -2.661 1.00 0.00 C ATOM 1030 C ALA A 70 -0.960 -5.430 -2.613 1.00 0.00 C ATOM 1031 O ALA A 70 -2.079 -4.922 -2.519 1.00 0.00 O ATOM 1032 CB ALA A 70 -0.491 -7.426 -4.086 1.00 0.00 C ATOM 0 H ALA A 70 -2.906 -6.972 -2.542 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.046 -7.243 -1.965 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.461 -6.994 -4.394 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.417 -8.513 -4.101 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.274 -7.106 -4.773 1.00 0.00 H new ATOM 1038 N VAL A 71 0.166 -4.711 -2.686 1.00 0.00 N ATOM 1039 CA VAL A 71 0.182 -3.248 -2.664 1.00 0.00 C ATOM 1040 C VAL A 71 1.035 -2.809 -3.826 1.00 0.00 C ATOM 1041 O VAL A 71 2.203 -3.182 -3.848 1.00 0.00 O ATOM 1042 CB VAL A 71 0.687 -2.715 -1.302 1.00 0.00 C ATOM 1043 CG1 VAL A 71 1.261 -1.288 -1.293 1.00 0.00 C ATOM 1044 CG2 VAL A 71 -0.458 -2.749 -0.281 1.00 0.00 C ATOM 0 H VAL A 71 1.093 -5.130 -2.762 1.00 0.00 H new ATOM 0 HA VAL A 71 -0.821 -2.834 -2.771 1.00 0.00 H new ATOM 0 HB VAL A 71 1.515 -3.379 -1.055 1.00 0.00 H new ATOM 0 HG11 VAL A 71 1.580 -1.031 -0.283 1.00 0.00 H new ATOM 0 HG12 VAL A 71 2.115 -1.235 -1.968 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.495 -0.586 -1.621 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.101 -2.373 0.678 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.278 -2.124 -0.633 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -0.809 -3.774 -0.162 1.00 0.00 H new ATOM 1054 N ASN A 72 0.454 -2.075 -4.782 1.00 0.00 N ATOM 1055 CA ASN A 72 1.088 -1.649 -6.031 1.00 0.00 C ATOM 1056 C ASN A 72 1.964 -2.763 -6.600 1.00 0.00 C ATOM 1057 O ASN A 72 3.190 -2.649 -6.668 1.00 0.00 O ATOM 1058 CB ASN A 72 1.870 -0.343 -5.834 1.00 0.00 C ATOM 1059 CG ASN A 72 0.968 0.865 -5.683 1.00 0.00 C ATOM 1060 OD1 ASN A 72 0.010 1.039 -6.427 1.00 0.00 O ATOM 1061 ND2 ASN A 72 1.233 1.731 -4.729 1.00 0.00 N ATOM 0 H ASN A 72 -0.509 -1.749 -4.702 1.00 0.00 H new ATOM 0 HA ASN A 72 0.307 -1.445 -6.763 1.00 0.00 H new ATOM 0 HB2 ASN A 72 2.501 -0.433 -4.949 1.00 0.00 H new ATOM 0 HB3 ASN A 72 2.534 -0.191 -6.685 1.00 0.00 H new ATOM 0 HD21 ASN A 72 0.640 2.552 -4.606 1.00 0.00 H new ATOM 0 HD22 ASN A 72 2.032 1.582 -4.112 1.00 0.00 H new ATOM 1068 N GLY A 73 1.318 -3.875 -6.947 1.00 0.00 N ATOM 1069 CA GLY A 73 1.943 -5.025 -7.572 1.00 0.00 C ATOM 1070 C GLY A 73 2.887 -5.805 -6.660 1.00 0.00 C ATOM 1071 O GLY A 73 3.462 -6.787 -7.136 1.00 0.00 O ATOM 0 H GLY A 73 0.317 -3.998 -6.794 1.00 0.00 H new ATOM 0 HA2 GLY A 73 1.163 -5.698 -7.928 1.00 0.00 H new ATOM 0 HA3 GLY A 73 2.499 -4.690 -8.448 1.00 0.00 H new ATOM 1075 N GLN A 74 3.049 -5.435 -5.384 1.00 0.00 N ATOM 1076 CA GLN A 74 4.043 -5.994 -4.479 1.00 0.00 C ATOM 1077 C GLN A 74 3.399 -6.811 -3.375 1.00 0.00 C ATOM 1078 O GLN A 74 2.271 -6.562 -2.960 1.00 0.00 O ATOM 1079 CB GLN A 74 4.908 -4.886 -3.850 1.00 0.00 C ATOM 1080 CG GLN A 74 6.330 -4.897 -4.386 1.00 0.00 C ATOM 1081 CD GLN A 74 7.156 -6.101 -3.914 1.00 0.00 C ATOM 1082 OE1 GLN A 74 6.775 -7.261 -4.086 1.00 0.00 O ATOM 1083 NE2 GLN A 74 8.297 -5.884 -3.289 1.00 0.00 N ATOM 0 H GLN A 74 2.472 -4.717 -4.946 1.00 0.00 H new ATOM 0 HA GLN A 74 4.676 -6.650 -5.076 1.00 0.00 H new ATOM 0 HB2 GLN A 74 4.454 -3.915 -4.049 1.00 0.00 H new ATOM 0 HB3 GLN A 74 4.928 -5.013 -2.768 1.00 0.00 H new ATOM 0 HG2 GLN A 74 6.299 -4.893 -5.476 1.00 0.00 H new ATOM 0 HG3 GLN A 74 6.832 -3.980 -4.079 1.00 0.00 H new ATOM 0 HE21 GLN A 74 8.623 -4.929 -3.140 1.00 0.00 H new ATOM 0 HE22 GLN A 74 8.853 -6.671 -2.954 1.00 0.00 H new ATOM 1092 N SER A 75 4.154 -7.762 -2.847 1.00 0.00 N ATOM 1093 CA SER A 75 3.694 -8.645 -1.799 1.00 0.00 C ATOM 1094 C SER A 75 3.434 -7.874 -0.511 1.00 0.00 C ATOM 1095 O SER A 75 4.250 -7.028 -0.142 1.00 0.00 O ATOM 1096 CB SER A 75 4.799 -9.684 -1.558 1.00 0.00 C ATOM 1097 OG SER A 75 6.044 -9.025 -1.353 1.00 0.00 O ATOM 0 H SER A 75 5.114 -7.940 -3.141 1.00 0.00 H new ATOM 0 HA SER A 75 2.759 -9.120 -2.098 1.00 0.00 H new ATOM 0 HB2 SER A 75 4.553 -10.295 -0.689 1.00 0.00 H new ATOM 0 HB3 SER A 75 4.870 -10.358 -2.412 1.00 0.00 H new ATOM 0 HG SER A 75 5.883 -8.124 -1.004 1.00 0.00 H new ATOM 1103 N ILE A 76 2.384 -8.248 0.224 1.00 0.00 N ATOM 1104 CA ILE A 76 2.151 -7.778 1.595 1.00 0.00 C ATOM 1105 C ILE A 76 1.869 -8.934 2.569 1.00 0.00 C ATOM 1106 O ILE A 76 1.775 -8.740 3.780 1.00 0.00 O ATOM 1107 CB ILE A 76 1.053 -6.698 1.619 1.00 0.00 C ATOM 1108 CG1 ILE A 76 -0.346 -7.302 1.371 1.00 0.00 C ATOM 1109 CG2 ILE A 76 1.332 -5.604 0.593 1.00 0.00 C ATOM 1110 CD1 ILE A 76 -1.482 -6.325 1.082 1.00 0.00 C ATOM 0 H ILE A 76 1.667 -8.889 -0.116 1.00 0.00 H new ATOM 0 HA ILE A 76 3.072 -7.315 1.951 1.00 0.00 H new ATOM 0 HB ILE A 76 1.065 -6.257 2.616 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.272 -7.993 0.532 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.620 -7.891 2.246 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.540 -4.856 0.634 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.289 -5.132 0.816 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.367 -6.041 -0.405 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.408 -6.879 0.927 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -1.602 -5.647 1.927 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.249 -5.751 0.186 1.00 0.00 H new ATOM 1122 N ILE A 77 1.756 -10.150 2.037 1.00 0.00 N ATOM 1123 CA ILE A 77 1.625 -11.386 2.796 1.00 0.00 C ATOM 1124 C ILE A 77 2.982 -11.750 3.432 1.00 0.00 C ATOM 1125 O ILE A 77 3.017 -12.489 4.415 1.00 0.00 O ATOM 1126 CB ILE A 77 1.074 -12.475 1.844 1.00 0.00 C ATOM 1127 CG1 ILE A 77 -0.322 -12.033 1.347 1.00 0.00 C ATOM 1128 CG2 ILE A 77 0.964 -13.855 2.511 1.00 0.00 C ATOM 1129 CD1 ILE A 77 -0.892 -12.933 0.261 1.00 0.00 C ATOM 0 H ILE A 77 1.753 -10.304 1.029 1.00 0.00 H new ATOM 0 HA ILE A 77 0.923 -11.282 3.624 1.00 0.00 H new ATOM 0 HB ILE A 77 1.777 -12.579 1.017 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -1.011 -12.015 2.192 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.258 -11.014 0.966 1.00 0.00 H new ATOM 0 HG21 ILE A 77 0.572 -14.576 1.793 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.950 -14.177 2.846 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.292 -13.793 3.367 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.872 -12.564 -0.040 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.224 -12.932 -0.600 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -0.989 -13.949 0.644 1.00 0.00 H new ATOM 1141 N ASN A 78 4.089 -11.241 2.872 1.00 0.00 N ATOM 1142 CA ASN A 78 5.436 -11.762 3.095 1.00 0.00 C ATOM 1143 C ASN A 78 6.387 -10.676 3.595 1.00 0.00 C ATOM 1144 O ASN A 78 7.167 -10.937 4.513 1.00 0.00 O ATOM 1145 CB ASN A 78 5.991 -12.378 1.798 1.00 0.00 C ATOM 1146 CG ASN A 78 5.264 -13.626 1.307 1.00 0.00 C ATOM 1147 OD1 ASN A 78 4.313 -14.115 1.903 1.00 0.00 O ATOM 1148 ND2 ASN A 78 5.655 -14.143 0.158 1.00 0.00 N ATOM 0 H ASN A 78 4.067 -10.441 2.240 1.00 0.00 H new ATOM 0 HA ASN A 78 5.365 -12.531 3.864 1.00 0.00 H new ATOM 0 HB2 ASN A 78 5.955 -11.623 1.012 1.00 0.00 H new ATOM 0 HB3 ASN A 78 7.041 -12.626 1.953 1.00 0.00 H new ATOM 0 HD21 ASN A 78 5.165 -14.948 -0.232 1.00 0.00 H new ATOM 0 HD22 ASN A 78 6.447 -13.737 -0.341 1.00 0.00 H new ATOM 1155 N MET A 79 6.333 -9.469 3.018 1.00 0.00 N ATOM 1156 CA MET A 79 7.141 -8.333 3.453 1.00 0.00 C ATOM 1157 C MET A 79 6.885 -8.028 4.933 1.00 0.00 C ATOM 1158 O MET A 79 5.766 -8.239 5.407 1.00 0.00 O ATOM 1159 CB MET A 79 6.801 -7.100 2.597 1.00 0.00 C ATOM 1160 CG MET A 79 7.844 -6.864 1.510 1.00 0.00 C ATOM 1161 SD MET A 79 7.269 -6.021 0.010 1.00 0.00 S ATOM 1162 CE MET A 79 7.394 -4.270 0.486 1.00 0.00 C ATOM 0 H MET A 79 5.721 -9.256 2.230 1.00 0.00 H new ATOM 0 HA MET A 79 8.195 -8.582 3.328 1.00 0.00 H new ATOM 0 HB2 MET A 79 5.821 -7.234 2.138 1.00 0.00 H new ATOM 0 HB3 MET A 79 6.736 -6.220 3.236 1.00 0.00 H new ATOM 0 HG2 MET A 79 8.659 -6.280 1.939 1.00 0.00 H new ATOM 0 HG3 MET A 79 8.261 -7.829 1.221 1.00 0.00 H new ATOM 0 HE1 MET A 79 6.909 -3.652 -0.269 1.00 0.00 H new ATOM 0 HE2 MET A 79 6.904 -4.119 1.448 1.00 0.00 H new ATOM 0 HE3 MET A 79 8.444 -3.989 0.565 1.00 0.00 H new ATOM 1172 N PRO A 80 7.874 -7.474 5.658 1.00 0.00 N ATOM 1173 CA PRO A 80 7.638 -6.995 7.005 1.00 0.00 C ATOM 1174 C PRO A 80 6.746 -5.756 6.945 1.00 0.00 C ATOM 1175 O PRO A 80 6.821 -4.957 6.004 1.00 0.00 O ATOM 1176 CB PRO A 80 9.017 -6.685 7.580 1.00 0.00 C ATOM 1177 CG PRO A 80 9.851 -6.338 6.355 1.00 0.00 C ATOM 1178 CD PRO A 80 9.227 -7.158 5.225 1.00 0.00 C ATOM 0 HA PRO A 80 7.125 -7.722 7.635 1.00 0.00 H new ATOM 0 HB2 PRO A 80 8.979 -5.856 8.286 1.00 0.00 H new ATOM 0 HB3 PRO A 80 9.429 -7.541 8.115 1.00 0.00 H new ATOM 0 HG2 PRO A 80 9.814 -5.270 6.138 1.00 0.00 H new ATOM 0 HG3 PRO A 80 10.900 -6.597 6.502 1.00 0.00 H new ATOM 0 HD2 PRO A 80 9.216 -6.593 4.293 1.00 0.00 H new ATOM 0 HD3 PRO A 80 9.800 -8.067 5.040 1.00 0.00 H new ATOM 1186 N HIS A 81 5.938 -5.571 7.985 1.00 0.00 N ATOM 1187 CA HIS A 81 4.888 -4.571 8.031 1.00 0.00 C ATOM 1188 C HIS A 81 5.411 -3.166 7.763 1.00 0.00 C ATOM 1189 O HIS A 81 4.759 -2.411 7.046 1.00 0.00 O ATOM 1190 CB HIS A 81 4.184 -4.628 9.389 1.00 0.00 C ATOM 1191 CG HIS A 81 2.727 -4.306 9.258 1.00 0.00 C ATOM 1192 ND1 HIS A 81 2.121 -3.088 9.463 1.00 0.00 N ATOM 1193 CD2 HIS A 81 1.773 -5.193 8.843 1.00 0.00 C ATOM 1194 CE1 HIS A 81 0.822 -3.241 9.163 1.00 0.00 C ATOM 1195 NE2 HIS A 81 0.561 -4.506 8.800 1.00 0.00 N ATOM 0 H HIS A 81 6.001 -6.128 8.837 1.00 0.00 H new ATOM 0 HA HIS A 81 4.178 -4.800 7.236 1.00 0.00 H new ATOM 0 HB2 HIS A 81 4.302 -5.622 9.821 1.00 0.00 H new ATOM 0 HB3 HIS A 81 4.654 -3.924 10.075 1.00 0.00 H new ATOM 0 HD2 HIS A 81 1.929 -6.232 8.595 1.00 0.00 H new ATOM 0 HE1 HIS A 81 0.086 -2.452 9.208 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -0.348 -4.890 8.543 1.00 0.00 H new ATOM 1203 N ALA A 82 6.571 -2.807 8.322 1.00 0.00 N ATOM 1204 CA ALA A 82 7.144 -1.484 8.134 1.00 0.00 C ATOM 1205 C ALA A 82 7.463 -1.205 6.666 1.00 0.00 C ATOM 1206 O ALA A 82 7.415 -0.048 6.257 1.00 0.00 O ATOM 1207 CB ALA A 82 8.415 -1.346 8.970 1.00 0.00 C ATOM 0 H ALA A 82 7.130 -3.424 8.911 1.00 0.00 H new ATOM 0 HA ALA A 82 6.403 -0.754 8.460 1.00 0.00 H new ATOM 0 HB1 ALA A 82 8.840 -0.353 8.825 1.00 0.00 H new ATOM 0 HB2 ALA A 82 8.175 -1.488 10.024 1.00 0.00 H new ATOM 0 HB3 ALA A 82 9.139 -2.099 8.659 1.00 0.00 H new ATOM 1213 N ASP A 83 7.788 -2.235 5.878 1.00 0.00 N ATOM 1214 CA ASP A 83 8.093 -2.069 4.461 1.00 0.00 C ATOM 1215 C ASP A 83 6.815 -1.725 3.708 1.00 0.00 C ATOM 1216 O ASP A 83 6.758 -0.713 3.024 1.00 0.00 O ATOM 1217 CB ASP A 83 8.747 -3.333 3.882 1.00 0.00 C ATOM 1218 CG ASP A 83 9.718 -3.035 2.741 1.00 0.00 C ATOM 1219 OD1 ASP A 83 9.653 -1.949 2.124 1.00 0.00 O ATOM 1220 OD2 ASP A 83 10.628 -3.862 2.520 1.00 0.00 O ATOM 0 H ASP A 83 7.846 -3.199 6.205 1.00 0.00 H new ATOM 0 HA ASP A 83 8.807 -1.254 4.346 1.00 0.00 H new ATOM 0 HB2 ASP A 83 9.279 -3.856 4.677 1.00 0.00 H new ATOM 0 HB3 ASP A 83 7.968 -4.006 3.522 1.00 0.00 H new ATOM 1225 N ILE A 84 5.757 -2.518 3.908 1.00 0.00 N ATOM 1226 CA ILE A 84 4.442 -2.315 3.296 1.00 0.00 C ATOM 1227 C ILE A 84 3.865 -0.946 3.715 1.00 0.00 C ATOM 1228 O ILE A 84 3.249 -0.246 2.912 1.00 0.00 O ATOM 1229 CB ILE A 84 3.506 -3.463 3.726 1.00 0.00 C ATOM 1230 CG1 ILE A 84 4.017 -4.861 3.299 1.00 0.00 C ATOM 1231 CG2 ILE A 84 2.100 -3.246 3.143 1.00 0.00 C ATOM 1232 CD1 ILE A 84 3.615 -5.947 4.299 1.00 0.00 C ATOM 0 H ILE A 84 5.793 -3.338 4.514 1.00 0.00 H new ATOM 0 HA ILE A 84 4.535 -2.319 2.210 1.00 0.00 H new ATOM 0 HB ILE A 84 3.480 -3.443 4.815 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.618 -5.108 2.315 1.00 0.00 H new ATOM 0 HG13 ILE A 84 5.103 -4.838 3.206 1.00 0.00 H new ATOM 0 HG21 ILE A 84 1.448 -4.062 3.453 1.00 0.00 H new ATOM 0 HG22 ILE A 84 1.697 -2.301 3.507 1.00 0.00 H new ATOM 0 HG23 ILE A 84 2.157 -3.221 2.055 1.00 0.00 H new ATOM 0 HD11 ILE A 84 3.994 -6.911 3.961 1.00 0.00 H new ATOM 0 HD12 ILE A 84 4.036 -5.715 5.277 1.00 0.00 H new ATOM 0 HD13 ILE A 84 2.528 -5.990 4.373 1.00 0.00 H new ATOM 1244 N VAL A 85 4.037 -0.548 4.975 1.00 0.00 N ATOM 1245 CA VAL A 85 3.617 0.754 5.475 1.00 0.00 C ATOM 1246 C VAL A 85 4.333 1.858 4.714 1.00 0.00 C ATOM 1247 O VAL A 85 3.672 2.807 4.265 1.00 0.00 O ATOM 1248 CB VAL A 85 3.822 0.784 6.997 1.00 0.00 C ATOM 1249 CG1 VAL A 85 3.910 2.177 7.628 1.00 0.00 C ATOM 1250 CG2 VAL A 85 2.701 0.000 7.691 1.00 0.00 C ATOM 0 H VAL A 85 4.479 -1.132 5.685 1.00 0.00 H new ATOM 0 HA VAL A 85 2.556 0.930 5.300 1.00 0.00 H new ATOM 0 HB VAL A 85 4.799 0.325 7.150 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.055 2.081 8.704 1.00 0.00 H new ATOM 0 HG12 VAL A 85 4.751 2.720 7.196 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.987 2.723 7.434 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.853 0.026 8.770 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.738 0.451 7.449 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.714 -1.034 7.347 1.00 0.00 H new ATOM 1260 N LYS A 86 5.651 1.735 4.550 1.00 0.00 N ATOM 1261 CA LYS A 86 6.419 2.722 3.821 1.00 0.00 C ATOM 1262 C LYS A 86 6.008 2.729 2.365 1.00 0.00 C ATOM 1263 O LYS A 86 5.794 3.809 1.837 1.00 0.00 O ATOM 1264 CB LYS A 86 7.914 2.445 3.991 1.00 0.00 C ATOM 1265 CG LYS A 86 8.706 3.758 3.930 1.00 0.00 C ATOM 1266 CD LYS A 86 10.144 3.581 4.429 1.00 0.00 C ATOM 1267 CE LYS A 86 10.144 3.368 5.949 1.00 0.00 C ATOM 1268 NZ LYS A 86 11.488 3.304 6.547 1.00 0.00 N ATOM 0 H LYS A 86 6.201 0.958 4.916 1.00 0.00 H new ATOM 0 HA LYS A 86 6.217 3.715 4.223 1.00 0.00 H new ATOM 0 HB2 LYS A 86 8.093 1.948 4.944 1.00 0.00 H new ATOM 0 HB3 LYS A 86 8.257 1.768 3.209 1.00 0.00 H new ATOM 0 HG2 LYS A 86 8.720 4.126 2.904 1.00 0.00 H new ATOM 0 HG3 LYS A 86 8.203 4.514 4.533 1.00 0.00 H new ATOM 0 HD2 LYS A 86 10.608 2.729 3.933 1.00 0.00 H new ATOM 0 HD3 LYS A 86 10.737 4.459 4.176 1.00 0.00 H new ATOM 0 HE2 LYS A 86 9.587 4.179 6.419 1.00 0.00 H new ATOM 0 HE3 LYS A 86 9.613 2.444 6.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 11.405 3.159 7.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 12.017 2.513 6.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 11.993 4.195 6.363 1.00 0.00 H new ATOM 1282 N LEU A 87 5.804 1.565 1.751 1.00 0.00 N ATOM 1283 CA LEU A 87 5.339 1.384 0.386 1.00 0.00 C ATOM 1284 C LEU A 87 4.112 2.246 0.105 1.00 0.00 C ATOM 1285 O LEU A 87 4.044 2.859 -0.956 1.00 0.00 O ATOM 1286 CB LEU A 87 4.998 -0.110 0.226 1.00 0.00 C ATOM 1287 CG LEU A 87 5.920 -1.046 -0.564 1.00 0.00 C ATOM 1288 CD1 LEU A 87 5.386 -1.317 -1.969 1.00 0.00 C ATOM 1289 CD2 LEU A 87 7.384 -0.629 -0.626 1.00 0.00 C ATOM 0 H LEU A 87 5.969 0.676 2.223 1.00 0.00 H new ATOM 0 HA LEU A 87 6.108 1.689 -0.324 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.903 -0.526 1.229 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.013 -0.166 -0.237 1.00 0.00 H new ATOM 0 HG LEU A 87 5.907 -1.968 0.017 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.069 -1.984 -2.495 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.403 -1.783 -1.901 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.305 -0.377 -2.515 1.00 0.00 H new ATOM 0 HD21 LEU A 87 7.946 -1.360 -1.208 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.464 0.350 -1.098 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.791 -0.579 0.384 1.00 0.00 H new ATOM 1301 N ILE A 88 3.130 2.286 1.011 1.00 0.00 N ATOM 1302 CA ILE A 88 1.927 3.082 0.821 1.00 0.00 C ATOM 1303 C ILE A 88 2.283 4.556 1.021 1.00 0.00 C ATOM 1304 O ILE A 88 1.827 5.412 0.265 1.00 0.00 O ATOM 1305 CB ILE A 88 0.843 2.641 1.815 1.00 0.00 C ATOM 1306 CG1 ILE A 88 0.474 1.149 1.655 1.00 0.00 C ATOM 1307 CG2 ILE A 88 -0.413 3.507 1.631 1.00 0.00 C ATOM 1308 CD1 ILE A 88 -0.158 0.576 2.926 1.00 0.00 C ATOM 0 H ILE A 88 3.152 1.769 1.890 1.00 0.00 H new ATOM 0 HA ILE A 88 1.535 2.939 -0.186 1.00 0.00 H new ATOM 0 HB ILE A 88 1.247 2.773 2.819 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.219 1.034 0.822 1.00 0.00 H new ATOM 0 HG13 ILE A 88 1.369 0.579 1.406 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -1.180 3.191 2.338 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -0.163 4.553 1.810 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.788 3.393 0.614 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -0.402 -0.475 2.769 1.00 0.00 H new ATOM 0 HD12 ILE A 88 0.545 0.666 3.754 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.068 1.128 3.161 1.00 0.00 H new ATOM 1320 N LYS A 89 3.062 4.877 2.061 1.00 0.00 N ATOM 1321 CA LYS A 89 3.435 6.259 2.343 1.00 0.00 C ATOM 1322 C LYS A 89 4.180 6.877 1.152 1.00 0.00 C ATOM 1323 O LYS A 89 3.950 8.048 0.841 1.00 0.00 O ATOM 1324 CB LYS A 89 4.267 6.306 3.633 1.00 0.00 C ATOM 1325 CG LYS A 89 4.121 7.662 4.330 1.00 0.00 C ATOM 1326 CD LYS A 89 5.091 7.794 5.511 1.00 0.00 C ATOM 1327 CE LYS A 89 4.640 8.950 6.408 1.00 0.00 C ATOM 1328 NZ LYS A 89 5.604 9.268 7.481 1.00 0.00 N ATOM 0 H LYS A 89 3.443 4.196 2.718 1.00 0.00 H new ATOM 0 HA LYS A 89 2.537 6.858 2.494 1.00 0.00 H new ATOM 0 HB2 LYS A 89 3.947 5.511 4.306 1.00 0.00 H new ATOM 0 HB3 LYS A 89 5.316 6.124 3.400 1.00 0.00 H new ATOM 0 HG2 LYS A 89 4.307 8.462 3.614 1.00 0.00 H new ATOM 0 HG3 LYS A 89 3.097 7.782 4.684 1.00 0.00 H new ATOM 0 HD2 LYS A 89 5.117 6.865 6.081 1.00 0.00 H new ATOM 0 HD3 LYS A 89 6.103 7.974 5.147 1.00 0.00 H new ATOM 0 HE2 LYS A 89 4.484 9.837 5.794 1.00 0.00 H new ATOM 0 HE3 LYS A 89 3.678 8.699 6.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 5.240 10.058 8.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 5.735 8.434 8.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 6.516 9.537 7.060 1.00 0.00 H new ATOM 1342 N ASP A 90 5.046 6.102 0.498 1.00 0.00 N ATOM 1343 CA ASP A 90 5.874 6.468 -0.651 1.00 0.00 C ATOM 1344 C ASP A 90 5.134 6.299 -1.983 1.00 0.00 C ATOM 1345 O ASP A 90 5.723 6.618 -3.014 1.00 0.00 O ATOM 1346 CB ASP A 90 7.162 5.612 -0.670 1.00 0.00 C ATOM 1347 CG ASP A 90 8.424 6.401 -0.330 1.00 0.00 C ATOM 1348 OD1 ASP A 90 9.024 6.997 -1.252 1.00 0.00 O ATOM 1349 OD2 ASP A 90 8.853 6.388 0.851 1.00 0.00 O ATOM 0 H ASP A 90 5.198 5.133 0.778 1.00 0.00 H new ATOM 0 HA ASP A 90 6.123 7.523 -0.541 1.00 0.00 H new ATOM 0 HB2 ASP A 90 7.054 4.792 0.040 1.00 0.00 H new ATOM 0 HB3 ASP A 90 7.277 5.166 -1.658 1.00 0.00 H new ATOM 1354 N ALA A 91 3.879 5.815 -1.998 1.00 0.00 N ATOM 1355 CA ALA A 91 3.200 5.298 -3.198 1.00 0.00 C ATOM 1356 C ALA A 91 3.083 6.275 -4.383 1.00 0.00 C ATOM 1357 O ALA A 91 2.760 5.839 -5.488 1.00 0.00 O ATOM 1358 CB ALA A 91 1.803 4.787 -2.815 1.00 0.00 C ATOM 0 H ALA A 91 3.298 5.772 -1.161 1.00 0.00 H new ATOM 0 HA ALA A 91 3.844 4.496 -3.560 1.00 0.00 H new ATOM 0 HB1 ALA A 91 1.300 4.404 -3.703 1.00 0.00 H new ATOM 0 HB2 ALA A 91 1.897 3.989 -2.078 1.00 0.00 H new ATOM 0 HB3 ALA A 91 1.220 5.605 -2.392 1.00 0.00 H new ATOM 1364 N GLY A 92 3.338 7.569 -4.179 1.00 0.00 N ATOM 1365 CA GLY A 92 3.414 8.544 -5.255 1.00 0.00 C ATOM 1366 C GLY A 92 2.044 9.073 -5.632 1.00 0.00 C ATOM 1367 O GLY A 92 1.731 9.193 -6.816 1.00 0.00 O ATOM 0 H GLY A 92 3.498 7.967 -3.254 1.00 0.00 H new ATOM 0 HA2 GLY A 92 4.053 9.373 -4.950 1.00 0.00 H new ATOM 0 HA3 GLY A 92 3.880 8.087 -6.128 1.00 0.00 H new ATOM 1371 N LEU A 93 1.239 9.392 -4.614 1.00 0.00 N ATOM 1372 CA LEU A 93 -0.162 9.833 -4.640 1.00 0.00 C ATOM 1373 C LEU A 93 -1.124 8.773 -5.125 1.00 0.00 C ATOM 1374 O LEU A 93 -2.230 8.714 -4.606 1.00 0.00 O ATOM 1375 CB LEU A 93 -0.411 11.097 -5.471 1.00 0.00 C ATOM 1376 CG LEU A 93 0.533 12.244 -5.148 1.00 0.00 C ATOM 1377 CD1 LEU A 93 0.180 13.496 -5.950 1.00 0.00 C ATOM 1378 CD2 LEU A 93 0.504 12.619 -3.662 1.00 0.00 C ATOM 0 H LEU A 93 1.585 9.344 -3.656 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.354 10.053 -3.590 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -0.317 10.849 -6.528 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.437 11.428 -5.311 1.00 0.00 H new ATOM 0 HG LEU A 93 1.529 11.890 -5.414 1.00 0.00 H new ATOM 0 HD11 LEU A 93 0.873 14.298 -5.696 1.00 0.00 H new ATOM 0 HD12 LEU A 93 0.252 13.278 -7.016 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -0.837 13.807 -5.711 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.194 13.443 -3.481 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -0.505 12.923 -3.383 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.802 11.758 -3.064 1.00 0.00 H new ATOM 1390 N SER A 94 -0.717 7.939 -6.067 1.00 0.00 N ATOM 1391 CA SER A 94 -1.566 6.872 -6.580 1.00 0.00 C ATOM 1392 C SER A 94 -1.272 5.599 -5.792 1.00 0.00 C ATOM 1393 O SER A 94 -0.127 5.331 -5.431 1.00 0.00 O ATOM 1394 CB SER A 94 -1.314 6.633 -8.078 1.00 0.00 C ATOM 1395 OG SER A 94 -0.687 7.727 -8.730 1.00 0.00 O ATOM 0 H SER A 94 0.207 7.980 -6.497 1.00 0.00 H new ATOM 0 HA SER A 94 -2.611 7.158 -6.463 1.00 0.00 H new ATOM 0 HB2 SER A 94 -0.692 5.745 -8.196 1.00 0.00 H new ATOM 0 HB3 SER A 94 -2.264 6.424 -8.569 1.00 0.00 H new ATOM 0 HG SER A 94 -0.554 7.511 -9.677 1.00 0.00 H new ATOM 1401 N VAL A 95 -2.287 4.786 -5.516 1.00 0.00 N ATOM 1402 CA VAL A 95 -2.112 3.479 -4.920 1.00 0.00 C ATOM 1403 C VAL A 95 -3.167 2.559 -5.516 1.00 0.00 C ATOM 1404 O VAL A 95 -4.324 2.948 -5.652 1.00 0.00 O ATOM 1405 CB VAL A 95 -2.140 3.617 -3.389 1.00 0.00 C ATOM 1406 CG1 VAL A 95 -3.486 4.048 -2.797 1.00 0.00 C ATOM 1407 CG2 VAL A 95 -1.756 2.315 -2.712 1.00 0.00 C ATOM 0 H VAL A 95 -3.261 5.024 -5.704 1.00 0.00 H new ATOM 0 HA VAL A 95 -1.145 3.028 -5.143 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.418 4.410 -3.195 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.401 4.116 -1.712 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -3.766 5.021 -3.201 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -4.249 3.314 -3.056 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -1.785 2.445 -1.630 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.458 1.533 -3.003 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.749 2.030 -3.016 1.00 0.00 H new ATOM 1417 N THR A 96 -2.761 1.348 -5.880 1.00 0.00 N ATOM 1418 CA THR A 96 -3.585 0.347 -6.520 1.00 0.00 C ATOM 1419 C THR A 96 -3.673 -0.835 -5.562 1.00 0.00 C ATOM 1420 O THR A 96 -2.678 -1.516 -5.308 1.00 0.00 O ATOM 1421 CB THR A 96 -3.010 0.000 -7.897 1.00 0.00 C ATOM 1422 OG1 THR A 96 -2.840 1.177 -8.657 1.00 0.00 O ATOM 1423 CG2 THR A 96 -3.995 -0.874 -8.666 1.00 0.00 C ATOM 0 H THR A 96 -1.804 1.030 -5.727 1.00 0.00 H new ATOM 0 HA THR A 96 -4.597 0.700 -6.717 1.00 0.00 H new ATOM 0 HB THR A 96 -2.061 -0.514 -7.745 1.00 0.00 H new ATOM 0 HG1 THR A 96 -2.471 0.949 -9.535 1.00 0.00 H new ATOM 0 HG21 THR A 96 -3.579 -1.117 -9.644 1.00 0.00 H new ATOM 0 HG22 THR A 96 -4.176 -1.794 -8.110 1.00 0.00 H new ATOM 0 HG23 THR A 96 -4.935 -0.337 -8.794 1.00 0.00 H new ATOM 1431 N LEU A 97 -4.827 -1.007 -4.922 1.00 0.00 N ATOM 1432 CA LEU A 97 -5.108 -2.079 -3.976 1.00 0.00 C ATOM 1433 C LEU A 97 -5.701 -3.252 -4.743 1.00 0.00 C ATOM 1434 O LEU A 97 -6.838 -3.159 -5.210 1.00 0.00 O ATOM 1435 CB LEU A 97 -6.104 -1.580 -2.913 1.00 0.00 C ATOM 1436 CG LEU A 97 -5.381 -0.861 -1.764 1.00 0.00 C ATOM 1437 CD1 LEU A 97 -6.336 0.055 -1.004 1.00 0.00 C ATOM 1438 CD2 LEU A 97 -4.819 -1.891 -0.783 1.00 0.00 C ATOM 0 H LEU A 97 -5.620 -0.379 -5.054 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.193 -2.393 -3.474 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -6.822 -0.902 -3.374 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -6.670 -2.423 -2.518 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.577 -0.264 -2.196 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -5.798 0.551 -0.196 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -6.741 0.804 -1.685 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -7.152 -0.535 -0.588 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -4.307 -1.377 0.030 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -5.634 -2.490 -0.378 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.115 -2.541 -1.302 1.00 0.00 H new ATOM 1450 N ARG A 98 -4.961 -4.357 -4.868 1.00 0.00 N ATOM 1451 CA ARG A 98 -5.573 -5.595 -5.335 1.00 0.00 C ATOM 1452 C ARG A 98 -6.326 -6.225 -4.173 1.00 0.00 C ATOM 1453 O ARG A 98 -5.706 -6.563 -3.159 1.00 0.00 O ATOM 1454 CB ARG A 98 -4.563 -6.551 -5.982 1.00 0.00 C ATOM 1455 CG ARG A 98 -5.288 -7.796 -6.516 1.00 0.00 C ATOM 1456 CD ARG A 98 -4.437 -8.623 -7.481 1.00 0.00 C ATOM 1457 NE ARG A 98 -5.191 -8.937 -8.703 1.00 0.00 N ATOM 1458 CZ ARG A 98 -4.676 -9.304 -9.877 1.00 0.00 C ATOM 1459 NH1 ARG A 98 -3.408 -9.687 -9.973 1.00 0.00 N ATOM 1460 NH2 ARG A 98 -5.460 -9.287 -10.941 1.00 0.00 N ATOM 0 H ARG A 98 -3.965 -4.417 -4.658 1.00 0.00 H new ATOM 0 HA ARG A 98 -6.278 -5.368 -6.135 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -4.041 -6.047 -6.795 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -3.808 -6.844 -5.253 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -5.586 -8.423 -5.676 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -6.202 -7.487 -7.022 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -3.532 -8.073 -7.738 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -4.122 -9.546 -6.995 1.00 0.00 H new ATOM 0 HE ARG A 98 -6.207 -8.867 -8.648 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -2.816 -9.703 -9.143 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -3.026 -9.965 -10.877 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -6.434 -8.998 -10.852 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -5.091 -9.563 -11.851 1.00 0.00 H new ATOM 1474 N ILE A 99 -7.635 -6.402 -4.320 1.00 0.00 N ATOM 1475 CA ILE A 99 -8.502 -7.045 -3.339 1.00 0.00 C ATOM 1476 C ILE A 99 -9.120 -8.301 -3.960 1.00 0.00 C ATOM 1477 O ILE A 99 -8.959 -8.555 -5.158 1.00 0.00 O ATOM 1478 CB ILE A 99 -9.541 -6.047 -2.775 1.00 0.00 C ATOM 1479 CG1 ILE A 99 -10.689 -5.695 -3.753 1.00 0.00 C ATOM 1480 CG2 ILE A 99 -8.854 -4.773 -2.249 1.00 0.00 C ATOM 1481 CD1 ILE A 99 -12.034 -6.243 -3.247 1.00 0.00 C ATOM 0 H ILE A 99 -8.138 -6.092 -5.152 1.00 0.00 H new ATOM 0 HA ILE A 99 -7.920 -7.367 -2.475 1.00 0.00 H new ATOM 0 HB ILE A 99 -10.019 -6.567 -1.944 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -10.754 -4.613 -3.869 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -10.472 -6.108 -4.738 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -9.607 -4.088 -1.858 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -8.157 -5.037 -1.454 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -8.312 -4.290 -3.062 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -12.822 -5.981 -3.953 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -11.974 -7.328 -3.156 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -12.260 -5.809 -2.273 1.00 0.00 H new ATOM 1493 N ILE A 100 -9.820 -9.089 -3.141 1.00 0.00 N ATOM 1494 CA ILE A 100 -10.571 -10.262 -3.563 1.00 0.00 C ATOM 1495 C ILE A 100 -12.071 -9.905 -3.540 1.00 0.00 C ATOM 1496 O ILE A 100 -12.651 -9.759 -4.618 1.00 0.00 O ATOM 1497 CB ILE A 100 -10.141 -11.516 -2.753 1.00 0.00 C ATOM 1498 CG1 ILE A 100 -8.647 -11.826 -2.939 1.00 0.00 C ATOM 1499 CG2 ILE A 100 -11.036 -12.705 -3.123 1.00 0.00 C ATOM 1500 CD1 ILE A 100 -8.161 -13.057 -2.161 1.00 0.00 C ATOM 0 H ILE A 100 -9.878 -8.919 -2.137 1.00 0.00 H new ATOM 0 HA ILE A 100 -10.347 -10.548 -4.591 1.00 0.00 H new ATOM 0 HB ILE A 100 -10.275 -11.312 -1.691 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -8.448 -11.978 -4.000 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -8.065 -10.959 -2.626 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -10.730 -13.582 -2.552 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -12.074 -12.465 -2.892 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -10.941 -12.914 -4.188 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -7.097 -13.207 -2.346 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -8.326 -12.902 -1.095 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -8.714 -13.937 -2.490 1.00 0.00 H new ATOM 1512 N PRO A 101 -12.723 -9.726 -2.370 1.00 0.00 N ATOM 1513 CA PRO A 101 -14.166 -9.558 -2.302 1.00 0.00 C ATOM 1514 C PRO A 101 -14.665 -8.194 -2.757 1.00 0.00 C ATOM 1515 O PRO A 101 -14.556 -7.198 -2.051 1.00 0.00 O ATOM 1516 CB PRO A 101 -14.542 -9.772 -0.843 1.00 0.00 C ATOM 1517 CG PRO A 101 -13.291 -9.345 -0.084 1.00 0.00 C ATOM 1518 CD PRO A 101 -12.178 -9.790 -1.020 1.00 0.00 C ATOM 0 HA PRO A 101 -14.630 -10.270 -2.984 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -15.407 -9.172 -0.560 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -14.797 -10.813 -0.643 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -13.269 -8.270 0.092 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -13.221 -9.829 0.890 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -11.307 -9.142 -0.922 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -11.851 -10.802 -0.781 1.00 0.00 H new ATOM 1526 N GLN A 102 -15.270 -8.180 -3.930 1.00 0.00 N ATOM 1527 CA GLN A 102 -15.859 -7.002 -4.522 1.00 0.00 C ATOM 1528 C GLN A 102 -17.243 -6.734 -3.920 1.00 0.00 C ATOM 1529 O GLN A 102 -17.949 -7.647 -3.476 1.00 0.00 O ATOM 1530 CB GLN A 102 -15.866 -7.262 -6.029 1.00 0.00 C ATOM 1531 CG GLN A 102 -14.440 -7.047 -6.575 1.00 0.00 C ATOM 1532 CD GLN A 102 -14.053 -8.041 -7.661 1.00 0.00 C ATOM 1533 OE1 GLN A 102 -14.073 -7.715 -8.843 1.00 0.00 O ATOM 1534 NE2 GLN A 102 -13.642 -9.242 -7.296 1.00 0.00 N ATOM 0 H GLN A 102 -15.366 -9.013 -4.510 1.00 0.00 H new ATOM 0 HA GLN A 102 -15.298 -6.091 -4.317 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -16.200 -8.279 -6.235 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -16.566 -6.590 -6.525 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -14.360 -6.035 -6.973 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -13.729 -7.123 -5.753 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -13.631 -9.499 -6.309 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -13.336 -9.912 -8.001 1.00 0.00 H new ATOM 1543 N GLU A 103 -17.638 -5.462 -3.928 1.00 0.00 N ATOM 1544 CA GLU A 103 -18.881 -4.940 -3.355 1.00 0.00 C ATOM 1545 C GLU A 103 -20.058 -5.042 -4.337 1.00 0.00 C ATOM 1546 O GLU A 103 -21.182 -4.667 -4.010 1.00 0.00 O ATOM 1547 CB GLU A 103 -18.661 -3.477 -2.918 1.00 0.00 C ATOM 1548 CG GLU A 103 -18.060 -2.596 -4.030 1.00 0.00 C ATOM 1549 CD GLU A 103 -18.399 -1.120 -3.832 1.00 0.00 C ATOM 1550 OE1 GLU A 103 -19.491 -0.693 -4.279 1.00 0.00 O ATOM 1551 OE2 GLU A 103 -17.618 -0.374 -3.201 1.00 0.00 O ATOM 0 H GLU A 103 -17.072 -4.729 -4.356 1.00 0.00 H new ATOM 0 HA GLU A 103 -19.142 -5.549 -2.489 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -19.613 -3.052 -2.601 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -18.000 -3.459 -2.052 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -16.977 -2.721 -4.047 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -18.434 -2.928 -4.998 1.00 0.00 H new ATOM 1558 N GLU A 104 -19.789 -5.537 -5.542 1.00 0.00 N ATOM 1559 CA GLU A 104 -20.609 -5.401 -6.739 1.00 0.00 C ATOM 1560 C GLU A 104 -20.768 -6.759 -7.450 1.00 0.00 C ATOM 1561 O GLU A 104 -21.299 -6.813 -8.561 1.00 0.00 O ATOM 1562 CB GLU A 104 -19.933 -4.333 -7.623 1.00 0.00 C ATOM 1563 CG GLU A 104 -20.312 -2.899 -7.218 1.00 0.00 C ATOM 1564 CD GLU A 104 -21.543 -2.375 -7.960 1.00 0.00 C ATOM 1565 OE1 GLU A 104 -22.659 -2.922 -7.797 1.00 0.00 O ATOM 1566 OE2 GLU A 104 -21.417 -1.354 -8.674 1.00 0.00 O ATOM 0 H GLU A 104 -18.941 -6.076 -5.718 1.00 0.00 H new ATOM 0 HA GLU A 104 -21.623 -5.082 -6.498 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -18.851 -4.449 -7.562 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -20.213 -4.498 -8.663 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -20.501 -2.868 -6.145 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -19.468 -2.237 -7.412 1.00 0.00 H new ATOM 1573 N LEU A 105 -20.355 -7.865 -6.818 1.00 0.00 N ATOM 1574 CA LEU A 105 -20.395 -9.234 -7.330 1.00 0.00 C ATOM 1575 C LEU A 105 -20.910 -10.140 -6.211 1.00 0.00 C ATOM 1576 O LEU A 105 -20.118 -10.725 -5.464 1.00 0.00 O ATOM 1577 CB LEU A 105 -18.996 -9.684 -7.795 1.00 0.00 C ATOM 1578 CG LEU A 105 -18.581 -9.165 -9.181 1.00 0.00 C ATOM 1579 CD1 LEU A 105 -17.057 -9.126 -9.266 1.00 0.00 C ATOM 1580 CD2 LEU A 105 -19.106 -10.057 -10.311 1.00 0.00 C ATOM 0 H LEU A 105 -19.961 -7.821 -5.878 1.00 0.00 H new ATOM 0 HA LEU A 105 -21.057 -9.291 -8.194 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -18.260 -9.351 -7.063 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -18.965 -10.774 -7.806 1.00 0.00 H new ATOM 0 HG LEU A 105 -19.010 -8.170 -9.302 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -16.757 -8.759 -10.247 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -16.666 -8.462 -8.495 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -16.658 -10.129 -9.117 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -18.789 -9.652 -11.272 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -18.709 -11.065 -10.193 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -20.195 -10.089 -10.273 1.00 0.00 H new ATOM 1592 N ASN A 106 -22.236 -10.263 -6.093 1.00 0.00 N ATOM 1593 CA ASN A 106 -22.878 -11.155 -5.124 1.00 0.00 C ATOM 1594 C ASN A 106 -22.485 -12.600 -5.424 1.00 0.00 C ATOM 1595 O ASN A 106 -22.047 -12.907 -6.537 1.00 0.00 O ATOM 1596 CB ASN A 106 -24.412 -11.043 -5.180 1.00 0.00 C ATOM 1597 CG ASN A 106 -24.954 -9.693 -4.742 1.00 0.00 C ATOM 1598 OD1 ASN A 106 -25.767 -9.091 -5.435 1.00 0.00 O ATOM 1599 ND2 ASN A 106 -24.583 -9.202 -3.577 1.00 0.00 N ATOM 0 H ASN A 106 -22.897 -9.743 -6.670 1.00 0.00 H new ATOM 0 HA ASN A 106 -22.543 -10.861 -4.129 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -24.743 -11.241 -6.200 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -24.845 -11.818 -4.548 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -24.972 -8.318 -3.249 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -23.907 -9.706 -3.003 1.00 0.00 H new ATOM 1606 N SER A 107 -22.674 -13.510 -4.469 1.00 0.00 N ATOM 1607 CA SER A 107 -22.215 -14.890 -4.583 1.00 0.00 C ATOM 1608 C SER A 107 -23.331 -15.874 -4.199 1.00 0.00 C ATOM 1609 O SER A 107 -24.257 -15.503 -3.471 1.00 0.00 O ATOM 1610 CB SER A 107 -20.976 -15.075 -3.694 1.00 0.00 C ATOM 1611 OG SER A 107 -20.002 -14.069 -3.918 1.00 0.00 O ATOM 0 H SER A 107 -23.152 -13.308 -3.591 1.00 0.00 H new ATOM 0 HA SER A 107 -21.947 -15.101 -5.618 1.00 0.00 H new ATOM 0 HB2 SER A 107 -21.277 -15.060 -2.646 1.00 0.00 H new ATOM 0 HB3 SER A 107 -20.536 -16.054 -3.886 1.00 0.00 H new ATOM 0 HG SER A 107 -19.232 -14.223 -3.332 1.00 0.00 H new ATOM 1617 N PRO A 108 -23.258 -17.139 -4.651 1.00 0.00 N ATOM 1618 CA PRO A 108 -24.192 -18.191 -4.271 1.00 0.00 C ATOM 1619 C PRO A 108 -23.974 -18.620 -2.816 1.00 0.00 C ATOM 1620 O PRO A 108 -23.093 -19.436 -2.530 1.00 0.00 O ATOM 1621 CB PRO A 108 -23.951 -19.319 -5.282 1.00 0.00 C ATOM 1622 CG PRO A 108 -22.491 -19.150 -5.685 1.00 0.00 C ATOM 1623 CD PRO A 108 -22.333 -17.632 -5.662 1.00 0.00 C ATOM 0 HA PRO A 108 -25.232 -17.866 -4.304 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -24.131 -20.298 -4.838 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -24.615 -19.232 -6.142 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -21.815 -19.642 -4.986 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -22.288 -19.567 -6.671 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -21.308 -17.352 -5.420 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -22.559 -17.203 -6.638 1.00 0.00 H new ATOM 1631 N SER A 109 -24.723 -18.045 -1.878 1.00 0.00 N ATOM 1632 CA SER A 109 -24.811 -18.514 -0.499 1.00 0.00 C ATOM 1633 C SER A 109 -26.105 -17.995 0.130 1.00 0.00 C ATOM 1634 O SER A 109 -26.737 -17.068 -0.389 1.00 0.00 O ATOM 1635 CB SER A 109 -23.573 -18.093 0.315 1.00 0.00 C ATOM 1636 OG SER A 109 -23.080 -16.793 0.006 1.00 0.00 O ATOM 0 H SER A 109 -25.298 -17.222 -2.060 1.00 0.00 H new ATOM 0 HA SER A 109 -24.832 -19.604 -0.493 1.00 0.00 H new ATOM 0 HB2 SER A 109 -23.820 -18.132 1.376 1.00 0.00 H new ATOM 0 HB3 SER A 109 -22.778 -18.819 0.146 1.00 0.00 H new ATOM 0 HG SER A 109 -22.298 -16.599 0.563 1.00 0.00 H new ATOM 1642 N GLY A 110 -26.474 -18.550 1.281 1.00 0.00 N ATOM 1643 CA GLY A 110 -27.561 -18.089 2.120 1.00 0.00 C ATOM 1644 C GLY A 110 -27.296 -18.529 3.561 1.00 0.00 C ATOM 1645 O GLY A 110 -26.476 -19.428 3.784 1.00 0.00 O ATOM 0 H GLY A 110 -26.000 -19.367 1.665 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -27.644 -17.003 2.067 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -28.508 -18.499 1.769 1.00 0.00 H new ATOM 1649 N PRO A 111 -27.951 -17.895 4.541 1.00 0.00 N ATOM 1650 CA PRO A 111 -27.864 -18.277 5.942 1.00 0.00 C ATOM 1651 C PRO A 111 -28.751 -19.490 6.236 1.00 0.00 C ATOM 1652 O PRO A 111 -29.560 -19.898 5.397 1.00 0.00 O ATOM 1653 CB PRO A 111 -28.370 -17.042 6.695 1.00 0.00 C ATOM 1654 CG PRO A 111 -29.428 -16.483 5.751 1.00 0.00 C ATOM 1655 CD PRO A 111 -28.828 -16.746 4.374 1.00 0.00 C ATOM 0 HA PRO A 111 -26.854 -18.565 6.233 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -28.791 -17.304 7.665 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -27.571 -16.324 6.878 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -30.387 -16.985 5.876 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -29.600 -15.420 5.921 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -29.607 -16.951 3.640 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -28.273 -15.879 4.016 1.00 0.00 H new ATOM 1663 N SER A 112 -28.687 -19.985 7.468 1.00 0.00 N ATOM 1664 CA SER A 112 -29.754 -20.766 8.074 1.00 0.00 C ATOM 1665 C SER A 112 -30.113 -20.135 9.422 1.00 0.00 C ATOM 1666 O SER A 112 -29.305 -19.414 10.013 1.00 0.00 O ATOM 1667 CB SER A 112 -29.330 -22.234 8.181 1.00 0.00 C ATOM 1668 OG SER A 112 -28.053 -22.405 8.778 1.00 0.00 O ATOM 0 H SER A 112 -27.881 -19.852 8.079 1.00 0.00 H new ATOM 0 HA SER A 112 -30.652 -20.755 7.456 1.00 0.00 H new ATOM 0 HB2 SER A 112 -30.073 -22.778 8.764 1.00 0.00 H new ATOM 0 HB3 SER A 112 -29.320 -22.676 7.185 1.00 0.00 H new ATOM 0 HG SER A 112 -27.837 -23.360 8.821 1.00 0.00 H new ATOM 1674 N SER A 113 -31.321 -20.395 9.912 1.00 0.00 N ATOM 1675 CA SER A 113 -31.807 -20.013 11.233 1.00 0.00 C ATOM 1676 C SER A 113 -32.778 -21.108 11.684 1.00 0.00 C ATOM 1677 O SER A 113 -32.507 -21.809 12.662 1.00 0.00 O ATOM 1678 CB SER A 113 -32.472 -18.628 11.173 1.00 0.00 C ATOM 1679 OG SER A 113 -31.729 -17.661 11.892 1.00 0.00 O ATOM 0 H SER A 113 -32.022 -20.903 9.372 1.00 0.00 H new ATOM 0 HA SER A 113 -30.994 -19.929 11.954 1.00 0.00 H new ATOM 0 HB2 SER A 113 -32.568 -18.315 10.133 1.00 0.00 H new ATOM 0 HB3 SER A 113 -33.481 -18.690 11.582 1.00 0.00 H new ATOM 0 HG SER A 113 -32.178 -16.792 11.832 1.00 0.00 H new ATOM 1685 N GLY A 114 -33.863 -21.315 10.935 1.00 0.00 N ATOM 1686 CA GLY A 114 -34.133 -22.641 10.406 1.00 0.00 C ATOM 1687 C GLY A 114 -33.357 -22.688 9.104 1.00 0.00 C ATOM 1688 O GLY A 114 -32.560 -23.622 8.880 1.00 0.00 O ATOM 0 H GLY A 114 -34.548 -20.600 10.690 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -33.803 -23.419 11.094 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -35.199 -22.794 10.240 1.00 0.00 H new TER 1692 GLY A 114