USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 757 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 101 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 103 SER OG : rot 180:sc= 0.0378 USER MOD Set 2.1: A 68 HIS : no HE2:sc= 0.603 K(o=-0.18,f=-3.9!) USER MOD Set 2.2: A 88 TYR OH : rot 180:sc= -0.781 USER MOD Set 3.1: A 76 ASN : amide:sc= 2.08 K(o=3,f=1.3) USER MOD Set 3.2: A 82 THR OG1 : rot -55:sc= 0.963 USER MOD Set 4.1: A 51 HIS : no HE2:sc= 0.89 K(o=0.74,f=-3.6!) USER MOD Set 4.2: A 54 SER OG : rot -140:sc= -0.15 USER MOD Set 5.1: A 11 TYR OH : rot 180:sc= 0.103 USER MOD Set 5.2: A 34 ASN : amide:sc= -0.907 K(o=-0.8,f=0.13) USER MOD Set 6.1: A 7 SER OG : rot 90:sc= 1.12 USER MOD Set 6.2: A 21 TYR OH : rot -71:sc= 0.492 USER MOD Single : A 1 GLY N :NH3+ 143:sc= 0.00681 (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 HIS : no HD1:sc= 0 X(o=0,f=-0.0067) USER MOD Single : A 9 ASN : amide:sc= -0.682 X(o=-0.68,f=-1.1) USER MOD Single : A 12 THR OG1 : rot 94:sc= 1.01 USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 16 CYS SG : rot 180:sc= -0.816 USER MOD Single : A 17 THR OG1 : rot 83:sc= 0.144 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 19:sc= 0.865 USER MOD Single : A 31 THR OG1 : rot -50:sc= 0.538 USER MOD Single : A 36 ASN : amide:sc= -0.36 K(o=-0.36,f=-3.9!) USER MOD Single : A 37 ASN : amide:sc= -0.514 K(o=-0.51,f=-2) USER MOD Single : A 43 GLN : amide:sc= -0.185 K(o=-0.19,f=-0.72) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -2.61 X(o=-2.6,f=-2.2!) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= 0.225 K(o=0.23,f=-4.4!) USER MOD Single : A 61 SER OG : rot 180:sc= -0.193 USER MOD Single : A 62 SER OG : rot 180:sc= 0.0491 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= -0.0154 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0.0734 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl 176:sc= -0.418 (180deg=-0.424) USER MOD Single : A 87 ASN : amide:sc= -0.0115 K(o=-0.011,f=-3.6!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0.079 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= -0.671 X(o=-0.67,f=-0.99) USER MOD Single : A 108 TYR OH : rot -156:sc= 1.3 USER MOD Single : A 109 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 HIS : no HD1:sc= -0.328 X(o=-0.33,f=-0.0064) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.818 7.964 15.173 1.00 0.00 N ATOM 2 CA GLY A 1 -20.970 8.230 13.725 1.00 0.00 C ATOM 3 C GLY A 1 -20.116 7.297 12.892 1.00 0.00 C ATOM 4 O GLY A 1 -18.972 7.013 13.250 1.00 0.00 O ATOM 0 H1 GLY A 1 -20.844 8.863 15.696 1.00 0.00 H new ATOM 0 H2 GLY A 1 -21.594 7.352 15.497 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.909 7.490 15.345 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -22.016 8.116 13.442 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.693 9.263 13.514 1.00 0.00 H new ATOM 10 N SER A 2 -20.667 6.814 11.785 1.00 0.00 N ATOM 11 CA SER A 2 -19.945 5.903 10.904 1.00 0.00 C ATOM 12 C SER A 2 -18.826 6.639 10.169 1.00 0.00 C ATOM 13 O SER A 2 -17.836 6.034 9.748 1.00 0.00 O ATOM 14 CB SER A 2 -20.913 5.262 9.909 1.00 0.00 C ATOM 15 OG SER A 2 -21.986 4.623 10.588 1.00 0.00 O ATOM 0 H SER A 2 -21.613 7.038 11.475 1.00 0.00 H new ATOM 0 HA SER A 2 -19.492 5.117 11.508 1.00 0.00 H new ATOM 0 HB2 SER A 2 -21.305 6.023 9.235 1.00 0.00 H new ATOM 0 HB3 SER A 2 -20.382 4.535 9.294 1.00 0.00 H new ATOM 0 HG SER A 2 -22.594 4.221 9.933 1.00 0.00 H new ATOM 21 N SER A 3 -18.991 7.945 10.021 1.00 0.00 N ATOM 22 CA SER A 3 -17.977 8.782 9.411 1.00 0.00 C ATOM 23 C SER A 3 -17.946 10.141 10.107 1.00 0.00 C ATOM 24 O SER A 3 -18.792 11.002 9.858 1.00 0.00 O ATOM 25 CB SER A 3 -18.252 8.954 7.914 1.00 0.00 C ATOM 26 OG SER A 3 -17.094 9.403 7.228 1.00 0.00 O ATOM 0 H SER A 3 -19.826 8.449 10.319 1.00 0.00 H new ATOM 0 HA SER A 3 -17.005 8.301 9.525 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.584 8.006 7.491 1.00 0.00 H new ATOM 0 HB3 SER A 3 -19.063 9.668 7.770 1.00 0.00 H new ATOM 0 HG SER A 3 -17.297 9.503 6.274 1.00 0.00 H new ATOM 32 N ILE A 4 -16.992 10.303 11.008 1.00 0.00 N ATOM 33 CA ILE A 4 -16.822 11.548 11.746 1.00 0.00 C ATOM 34 C ILE A 4 -15.356 11.731 12.123 1.00 0.00 C ATOM 35 O ILE A 4 -14.802 12.824 12.016 1.00 0.00 O ATOM 36 CB ILE A 4 -17.716 11.598 13.013 1.00 0.00 C ATOM 37 CG1 ILE A 4 -17.403 12.850 13.843 1.00 0.00 C ATOM 38 CG2 ILE A 4 -17.548 10.335 13.850 1.00 0.00 C ATOM 39 CD1 ILE A 4 -18.267 13.003 15.077 1.00 0.00 C ATOM 0 H ILE A 4 -16.315 9.580 11.250 1.00 0.00 H new ATOM 0 HA ILE A 4 -17.135 12.366 11.097 1.00 0.00 H new ATOM 0 HB ILE A 4 -18.757 11.650 12.694 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -16.356 12.820 14.146 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -17.527 13.731 13.213 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -18.185 10.396 14.732 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -17.831 9.465 13.257 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -16.507 10.240 14.160 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -17.984 13.911 15.609 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -19.314 13.067 14.782 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -18.125 12.141 15.729 1.00 0.00 H new ATOM 51 N SER A 5 -14.737 10.642 12.554 1.00 0.00 N ATOM 52 CA SER A 5 -13.312 10.623 12.825 1.00 0.00 C ATOM 53 C SER A 5 -12.572 10.100 11.595 1.00 0.00 C ATOM 54 O SER A 5 -12.831 10.548 10.477 1.00 0.00 O ATOM 55 CB SER A 5 -13.036 9.740 14.044 1.00 0.00 C ATOM 56 OG SER A 5 -13.750 10.200 15.178 1.00 0.00 O ATOM 0 H SER A 5 -15.207 9.753 12.724 1.00 0.00 H new ATOM 0 HA SER A 5 -12.959 11.631 13.042 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.321 8.711 13.824 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.968 9.736 14.260 1.00 0.00 H new ATOM 0 HG SER A 5 -13.558 9.619 15.943 1.00 0.00 H new ATOM 62 N HIS A 6 -11.665 9.152 11.796 1.00 0.00 N ATOM 63 CA HIS A 6 -10.964 8.527 10.683 1.00 0.00 C ATOM 64 C HIS A 6 -11.951 7.711 9.857 1.00 0.00 C ATOM 65 O HIS A 6 -12.552 6.764 10.366 1.00 0.00 O ATOM 66 CB HIS A 6 -9.829 7.627 11.189 1.00 0.00 C ATOM 67 CG HIS A 6 -8.844 8.339 12.064 1.00 0.00 C ATOM 68 ND1 HIS A 6 -7.950 9.270 11.588 1.00 0.00 N ATOM 69 CD2 HIS A 6 -8.631 8.268 13.399 1.00 0.00 C ATOM 70 CE1 HIS A 6 -7.235 9.743 12.591 1.00 0.00 C ATOM 71 NE2 HIS A 6 -7.629 9.152 13.699 1.00 0.00 N ATOM 0 H HIS A 6 -11.399 8.801 12.716 1.00 0.00 H new ATOM 0 HA HIS A 6 -10.525 9.307 10.061 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -10.258 6.792 11.744 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -9.303 7.204 10.333 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -9.154 7.632 14.098 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -6.458 10.489 12.516 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -7.250 9.324 14.630 1.00 0.00 H new ATOM 80 N SER A 7 -12.136 8.099 8.602 1.00 0.00 N ATOM 81 CA SER A 7 -13.084 7.436 7.717 1.00 0.00 C ATOM 82 C SER A 7 -12.757 5.951 7.567 1.00 0.00 C ATOM 83 O SER A 7 -11.610 5.586 7.318 1.00 0.00 O ATOM 84 CB SER A 7 -13.094 8.141 6.358 1.00 0.00 C ATOM 85 OG SER A 7 -11.857 8.799 6.116 1.00 0.00 O ATOM 0 H SER A 7 -11.637 8.877 8.171 1.00 0.00 H new ATOM 0 HA SER A 7 -14.080 7.501 8.156 1.00 0.00 H new ATOM 0 HB2 SER A 7 -13.284 7.414 5.569 1.00 0.00 H new ATOM 0 HB3 SER A 7 -13.908 8.866 6.326 1.00 0.00 H new ATOM 0 HG SER A 7 -11.241 8.183 5.667 1.00 0.00 H new ATOM 91 N GLY A 8 -13.783 5.113 7.727 1.00 0.00 N ATOM 92 CA GLY A 8 -13.600 3.670 7.720 1.00 0.00 C ATOM 93 C GLY A 8 -12.939 3.164 6.456 1.00 0.00 C ATOM 94 O GLY A 8 -11.782 2.741 6.481 1.00 0.00 O ATOM 0 H GLY A 8 -14.748 5.414 7.863 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -12.995 3.382 8.580 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -14.570 3.186 7.835 1.00 0.00 H new ATOM 98 N ASN A 9 -13.666 3.197 5.351 1.00 0.00 N ATOM 99 CA ASN A 9 -13.100 2.805 4.072 1.00 0.00 C ATOM 100 C ASN A 9 -13.905 3.401 2.928 1.00 0.00 C ATOM 101 O ASN A 9 -15.127 3.271 2.889 1.00 0.00 O ATOM 102 CB ASN A 9 -13.048 1.286 3.935 1.00 0.00 C ATOM 103 CG ASN A 9 -11.955 0.849 2.984 1.00 0.00 C ATOM 104 OD1 ASN A 9 -10.851 0.522 3.401 1.00 0.00 O ATOM 105 ND2 ASN A 9 -12.243 0.877 1.698 1.00 0.00 N ATOM 0 H ASN A 9 -14.643 3.489 5.314 1.00 0.00 H new ATOM 0 HA ASN A 9 -12.081 3.189 4.028 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -12.880 0.837 4.914 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -14.010 0.919 3.577 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -11.534 0.621 1.011 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -13.175 1.155 1.390 1.00 0.00 H new ATOM 112 N LEU A 10 -13.214 4.043 1.996 1.00 0.00 N ATOM 113 CA LEU A 10 -13.879 4.784 0.929 1.00 0.00 C ATOM 114 C LEU A 10 -13.875 4.045 -0.407 1.00 0.00 C ATOM 115 O LEU A 10 -14.874 4.055 -1.124 1.00 0.00 O ATOM 116 CB LEU A 10 -13.193 6.132 0.740 1.00 0.00 C ATOM 117 CG LEU A 10 -13.160 7.031 1.979 1.00 0.00 C ATOM 118 CD1 LEU A 10 -12.445 8.334 1.664 1.00 0.00 C ATOM 119 CD2 LEU A 10 -14.569 7.305 2.481 1.00 0.00 C ATOM 0 H LEU A 10 -12.195 4.067 1.956 1.00 0.00 H new ATOM 0 HA LEU A 10 -14.918 4.907 1.235 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -12.168 5.956 0.412 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -13.698 6.668 -0.064 1.00 0.00 H new ATOM 0 HG LEU A 10 -12.612 6.514 2.767 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -12.428 8.964 2.553 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -11.423 8.122 1.351 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -12.970 8.852 0.862 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -14.523 7.945 3.362 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -15.143 7.803 1.700 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -15.052 6.363 2.742 1.00 0.00 H new ATOM 131 N TYR A 11 -12.757 3.413 -0.742 1.00 0.00 N ATOM 132 CA TYR A 11 -12.551 2.905 -2.096 1.00 0.00 C ATOM 133 C TYR A 11 -13.459 1.710 -2.412 1.00 0.00 C ATOM 134 O TYR A 11 -14.255 1.286 -1.573 1.00 0.00 O ATOM 135 CB TYR A 11 -11.075 2.547 -2.312 1.00 0.00 C ATOM 136 CG TYR A 11 -10.634 2.670 -3.758 1.00 0.00 C ATOM 137 CD1 TYR A 11 -10.667 3.899 -4.403 1.00 0.00 C ATOM 138 CD2 TYR A 11 -10.195 1.566 -4.477 1.00 0.00 C ATOM 139 CE1 TYR A 11 -10.278 4.027 -5.722 1.00 0.00 C ATOM 140 CE2 TYR A 11 -9.800 1.687 -5.798 1.00 0.00 C ATOM 141 CZ TYR A 11 -9.845 2.918 -6.416 1.00 0.00 C ATOM 142 OH TYR A 11 -9.457 3.042 -7.732 1.00 0.00 O ATOM 0 H TYR A 11 -11.983 3.240 -0.101 1.00 0.00 H new ATOM 0 HA TYR A 11 -12.825 3.700 -2.790 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -10.456 3.198 -1.694 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -10.902 1.526 -1.972 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -11.003 4.772 -3.863 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -10.161 0.599 -3.998 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -10.313 4.991 -6.207 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -9.458 0.820 -6.343 1.00 0.00 H new ATOM 0 HH TYR A 11 -9.178 2.167 -8.075 1.00 0.00 H new ATOM 152 N THR A 12 -13.308 1.189 -3.632 1.00 0.00 N ATOM 153 CA THR A 12 -14.171 0.156 -4.210 1.00 0.00 C ATOM 154 C THR A 12 -14.392 -1.050 -3.283 1.00 0.00 C ATOM 155 O THR A 12 -15.238 -1.014 -2.387 1.00 0.00 O ATOM 156 CB THR A 12 -13.544 -0.335 -5.529 1.00 0.00 C ATOM 157 OG1 THR A 12 -12.885 0.761 -6.178 1.00 0.00 O ATOM 158 CG2 THR A 12 -14.583 -0.930 -6.466 1.00 0.00 C ATOM 0 H THR A 12 -12.562 1.482 -4.262 1.00 0.00 H new ATOM 0 HA THR A 12 -15.148 0.612 -4.372 1.00 0.00 H new ATOM 0 HB THR A 12 -12.828 -1.120 -5.287 1.00 0.00 H new ATOM 0 HG1 THR A 12 -11.939 0.771 -5.923 1.00 0.00 H new ATOM 0 HG21 THR A 12 -14.097 -1.263 -7.383 1.00 0.00 H new ATOM 0 HG22 THR A 12 -15.066 -1.779 -5.982 1.00 0.00 H new ATOM 0 HG23 THR A 12 -15.332 -0.175 -6.706 1.00 0.00 H new ATOM 166 N ALA A 13 -13.625 -2.115 -3.514 1.00 0.00 N ATOM 167 CA ALA A 13 -13.744 -3.351 -2.758 1.00 0.00 C ATOM 168 C ALA A 13 -12.692 -4.342 -3.224 1.00 0.00 C ATOM 169 O ALA A 13 -12.533 -4.562 -4.422 1.00 0.00 O ATOM 170 CB ALA A 13 -15.132 -3.961 -2.911 1.00 0.00 C ATOM 0 H ALA A 13 -12.903 -2.140 -4.234 1.00 0.00 H new ATOM 0 HA ALA A 13 -13.589 -3.121 -1.704 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -15.189 -4.884 -2.334 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -15.881 -3.258 -2.546 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -15.320 -4.178 -3.962 1.00 0.00 H new ATOM 176 N GLY A 14 -11.944 -4.893 -2.281 1.00 0.00 N ATOM 177 CA GLY A 14 -10.944 -5.896 -2.602 1.00 0.00 C ATOM 178 C GLY A 14 -9.717 -5.327 -3.292 1.00 0.00 C ATOM 179 O GLY A 14 -8.742 -6.039 -3.493 1.00 0.00 O ATOM 0 H GLY A 14 -12.011 -4.663 -1.290 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.636 -6.397 -1.684 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -11.394 -6.654 -3.244 1.00 0.00 H new ATOM 183 N GLN A 15 -9.763 -4.042 -3.637 1.00 0.00 N ATOM 184 CA GLN A 15 -8.682 -3.393 -4.382 1.00 0.00 C ATOM 185 C GLN A 15 -7.405 -3.323 -3.552 1.00 0.00 C ATOM 186 O GLN A 15 -7.444 -3.451 -2.327 1.00 0.00 O ATOM 187 CB GLN A 15 -9.104 -1.978 -4.790 1.00 0.00 C ATOM 188 CG GLN A 15 -10.268 -1.940 -5.766 1.00 0.00 C ATOM 189 CD GLN A 15 -9.833 -2.105 -7.209 1.00 0.00 C ATOM 190 OE1 GLN A 15 -9.564 -1.126 -7.903 1.00 0.00 O ATOM 191 NE2 GLN A 15 -9.736 -3.341 -7.659 1.00 0.00 N ATOM 0 H GLN A 15 -10.543 -3.424 -3.411 1.00 0.00 H new ATOM 0 HA GLN A 15 -8.483 -3.989 -5.273 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -9.375 -1.418 -3.895 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -8.250 -1.470 -5.238 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -10.975 -2.730 -5.512 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -10.796 -0.993 -5.657 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -9.969 -4.125 -7.050 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -9.428 -3.513 -8.616 1.00 0.00 H new ATOM 200 N CYS A 16 -6.279 -3.101 -4.220 1.00 0.00 N ATOM 201 CA CYS A 16 -4.998 -2.974 -3.538 1.00 0.00 C ATOM 202 C CYS A 16 -5.000 -1.741 -2.648 1.00 0.00 C ATOM 203 O CYS A 16 -4.639 -1.807 -1.476 1.00 0.00 O ATOM 204 CB CYS A 16 -3.860 -2.901 -4.559 1.00 0.00 C ATOM 205 SG CYS A 16 -4.195 -1.799 -5.955 1.00 0.00 S ATOM 0 H CYS A 16 -6.228 -3.005 -5.234 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.842 -3.852 -2.912 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -2.954 -2.567 -4.054 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -3.662 -3.903 -4.939 1.00 0.00 H new ATOM 0 HG CYS A 16 -3.177 -1.800 -6.763 1.00 0.00 H new ATOM 211 N THR A 17 -5.467 -0.630 -3.201 1.00 0.00 N ATOM 212 CA THR A 17 -5.549 0.618 -2.458 1.00 0.00 C ATOM 213 C THR A 17 -6.661 0.537 -1.418 1.00 0.00 C ATOM 214 O THR A 17 -6.671 1.272 -0.433 1.00 0.00 O ATOM 215 CB THR A 17 -5.810 1.802 -3.408 1.00 0.00 C ATOM 216 OG1 THR A 17 -6.982 1.550 -4.192 1.00 0.00 O ATOM 217 CG2 THR A 17 -4.630 2.032 -4.337 1.00 0.00 C ATOM 0 H THR A 17 -5.796 -0.569 -4.165 1.00 0.00 H new ATOM 0 HA THR A 17 -4.596 0.779 -1.954 1.00 0.00 H new ATOM 0 HB THR A 17 -5.954 2.694 -2.798 1.00 0.00 H new ATOM 0 HG1 THR A 17 -7.779 1.792 -3.676 1.00 0.00 H new ATOM 0 HG21 THR A 17 -4.844 2.874 -4.995 1.00 0.00 H new ATOM 0 HG22 THR A 17 -3.740 2.250 -3.747 1.00 0.00 H new ATOM 0 HG23 THR A 17 -4.459 1.138 -4.936 1.00 0.00 H new ATOM 225 N TRP A 18 -7.589 -0.381 -1.654 1.00 0.00 N ATOM 226 CA TRP A 18 -8.706 -0.610 -0.753 1.00 0.00 C ATOM 227 C TRP A 18 -8.242 -1.381 0.478 1.00 0.00 C ATOM 228 O TRP A 18 -8.510 -0.975 1.609 1.00 0.00 O ATOM 229 CB TRP A 18 -9.798 -1.384 -1.499 1.00 0.00 C ATOM 230 CG TRP A 18 -11.011 -1.709 -0.684 1.00 0.00 C ATOM 231 CD1 TRP A 18 -12.150 -0.969 -0.582 1.00 0.00 C ATOM 232 CD2 TRP A 18 -11.211 -2.873 0.126 1.00 0.00 C ATOM 233 NE1 TRP A 18 -13.048 -1.603 0.241 1.00 0.00 N ATOM 234 CE2 TRP A 18 -12.495 -2.771 0.693 1.00 0.00 C ATOM 235 CE3 TRP A 18 -10.430 -3.991 0.430 1.00 0.00 C ATOM 236 CZ2 TRP A 18 -13.011 -3.745 1.544 1.00 0.00 C ATOM 237 CZ3 TRP A 18 -10.942 -4.955 1.274 1.00 0.00 C ATOM 238 CH2 TRP A 18 -12.223 -4.828 1.823 1.00 0.00 C ATOM 0 H TRP A 18 -7.587 -0.986 -2.475 1.00 0.00 H new ATOM 0 HA TRP A 18 -9.109 0.345 -0.418 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -10.107 -0.801 -2.367 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -9.371 -2.314 -1.875 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -12.321 -0.024 -1.075 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -13.978 -1.259 0.478 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -9.441 -4.099 0.011 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -13.999 -3.649 1.969 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -10.344 -5.822 1.515 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -12.597 -5.600 2.480 1.00 0.00 H new ATOM 249 N TYR A 19 -7.535 -2.488 0.253 1.00 0.00 N ATOM 250 CA TYR A 19 -7.028 -3.306 1.347 1.00 0.00 C ATOM 251 C TYR A 19 -6.077 -2.498 2.218 1.00 0.00 C ATOM 252 O TYR A 19 -6.107 -2.591 3.447 1.00 0.00 O ATOM 253 CB TYR A 19 -6.322 -4.552 0.805 1.00 0.00 C ATOM 254 CG TYR A 19 -5.638 -5.366 1.880 1.00 0.00 C ATOM 255 CD1 TYR A 19 -6.372 -6.178 2.737 1.00 0.00 C ATOM 256 CD2 TYR A 19 -4.261 -5.303 2.055 1.00 0.00 C ATOM 257 CE1 TYR A 19 -5.752 -6.904 3.733 1.00 0.00 C ATOM 258 CE2 TYR A 19 -3.635 -6.025 3.053 1.00 0.00 C ATOM 259 CZ TYR A 19 -4.385 -6.824 3.887 1.00 0.00 C ATOM 260 OH TYR A 19 -3.770 -7.534 4.886 1.00 0.00 O ATOM 0 H TYR A 19 -7.302 -2.836 -0.677 1.00 0.00 H new ATOM 0 HA TYR A 19 -7.873 -3.625 1.957 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -7.050 -5.180 0.292 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -5.583 -4.249 0.063 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -7.444 -6.241 2.621 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -3.670 -4.679 1.400 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -6.336 -7.532 4.389 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -2.564 -5.963 3.178 1.00 0.00 H new ATOM 0 HH TYR A 19 -2.804 -7.369 4.858 1.00 0.00 H new ATOM 270 N VAL A 20 -5.241 -1.702 1.571 1.00 0.00 N ATOM 271 CA VAL A 20 -4.318 -0.824 2.273 1.00 0.00 C ATOM 272 C VAL A 20 -5.068 0.095 3.230 1.00 0.00 C ATOM 273 O VAL A 20 -4.711 0.217 4.403 1.00 0.00 O ATOM 274 CB VAL A 20 -3.503 0.032 1.280 1.00 0.00 C ATOM 275 CG1 VAL A 20 -2.765 1.141 2.006 1.00 0.00 C ATOM 276 CG2 VAL A 20 -2.524 -0.837 0.504 1.00 0.00 C ATOM 0 H VAL A 20 -5.183 -1.646 0.554 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.635 -1.456 2.841 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.197 0.487 0.574 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.197 1.732 1.287 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -3.483 1.783 2.516 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.083 0.706 2.737 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.958 -0.216 -0.191 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.838 -1.322 1.199 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.073 -1.596 -0.052 1.00 0.00 H new ATOM 286 N TYR A 21 -6.131 0.708 2.727 1.00 0.00 N ATOM 287 CA TYR A 21 -6.876 1.694 3.489 1.00 0.00 C ATOM 288 C TYR A 21 -7.572 1.055 4.690 1.00 0.00 C ATOM 289 O TYR A 21 -7.655 1.660 5.763 1.00 0.00 O ATOM 290 CB TYR A 21 -7.899 2.389 2.592 1.00 0.00 C ATOM 291 CG TYR A 21 -8.439 3.663 3.183 1.00 0.00 C ATOM 292 CD1 TYR A 21 -7.624 4.775 3.356 1.00 0.00 C ATOM 293 CD2 TYR A 21 -9.758 3.749 3.580 1.00 0.00 C ATOM 294 CE1 TYR A 21 -8.119 5.939 3.909 1.00 0.00 C ATOM 295 CE2 TYR A 21 -10.264 4.903 4.134 1.00 0.00 C ATOM 296 CZ TYR A 21 -9.442 5.997 4.298 1.00 0.00 C ATOM 297 OH TYR A 21 -9.946 7.146 4.857 1.00 0.00 O ATOM 0 H TYR A 21 -6.496 0.537 1.790 1.00 0.00 H new ATOM 0 HA TYR A 21 -6.170 2.435 3.865 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -7.438 2.610 1.630 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -8.727 1.706 2.400 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -6.588 4.728 3.053 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -10.406 2.894 3.454 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -7.476 6.797 4.036 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -11.299 4.951 4.438 1.00 0.00 H new ATOM 0 HH TYR A 21 -9.572 7.264 5.755 1.00 0.00 H new ATOM 307 N ASP A 22 -8.059 -0.167 4.513 1.00 0.00 N ATOM 308 CA ASP A 22 -8.738 -0.883 5.592 1.00 0.00 C ATOM 309 C ASP A 22 -7.759 -1.275 6.699 1.00 0.00 C ATOM 310 O ASP A 22 -8.085 -1.210 7.886 1.00 0.00 O ATOM 311 CB ASP A 22 -9.445 -2.129 5.048 1.00 0.00 C ATOM 312 CG ASP A 22 -10.108 -2.945 6.142 1.00 0.00 C ATOM 313 OD1 ASP A 22 -10.947 -2.390 6.885 1.00 0.00 O ATOM 314 OD2 ASP A 22 -9.792 -4.148 6.268 1.00 0.00 O ATOM 0 H ASP A 22 -7.998 -0.684 3.636 1.00 0.00 H new ATOM 0 HA ASP A 22 -9.483 -0.212 6.019 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -10.196 -1.827 4.318 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -8.722 -2.752 4.522 1.00 0.00 H new ATOM 319 N LYS A 23 -6.550 -1.664 6.307 1.00 0.00 N ATOM 320 CA LYS A 23 -5.539 -2.090 7.268 1.00 0.00 C ATOM 321 C LYS A 23 -4.982 -0.913 8.057 1.00 0.00 C ATOM 322 O LYS A 23 -4.632 -1.052 9.227 1.00 0.00 O ATOM 323 CB LYS A 23 -4.406 -2.838 6.562 1.00 0.00 C ATOM 324 CG LYS A 23 -4.804 -4.221 6.075 1.00 0.00 C ATOM 325 CD LYS A 23 -5.153 -5.150 7.231 1.00 0.00 C ATOM 326 CE LYS A 23 -3.983 -5.318 8.187 1.00 0.00 C ATOM 327 NZ LYS A 23 -4.307 -6.228 9.316 1.00 0.00 N ATOM 0 H LYS A 23 -6.247 -1.693 5.333 1.00 0.00 H new ATOM 0 HA LYS A 23 -6.023 -2.765 7.974 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.065 -2.247 5.712 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.562 -2.931 7.245 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -5.659 -4.138 5.405 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.987 -4.652 5.497 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.011 -4.752 7.772 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.447 -6.124 6.840 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.124 -5.710 7.642 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.694 -4.343 8.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -3.481 -6.313 9.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.110 -5.843 9.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.558 -7.167 8.945 1.00 0.00 H new ATOM 341 N VAL A 24 -4.918 0.252 7.427 1.00 0.00 N ATOM 342 CA VAL A 24 -4.401 1.441 8.096 1.00 0.00 C ATOM 343 C VAL A 24 -5.486 2.133 8.921 1.00 0.00 C ATOM 344 O VAL A 24 -5.251 3.184 9.515 1.00 0.00 O ATOM 345 CB VAL A 24 -3.788 2.449 7.101 1.00 0.00 C ATOM 346 CG1 VAL A 24 -2.617 1.818 6.361 1.00 0.00 C ATOM 347 CG2 VAL A 24 -4.834 2.969 6.121 1.00 0.00 C ATOM 0 H VAL A 24 -5.214 0.400 6.462 1.00 0.00 H new ATOM 0 HA VAL A 24 -3.611 1.097 8.763 1.00 0.00 H new ATOM 0 HB VAL A 24 -3.419 3.303 7.670 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.195 2.541 5.663 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.853 1.518 7.078 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -2.963 0.943 5.811 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.369 3.677 5.434 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -5.250 2.135 5.556 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -5.632 3.468 6.671 1.00 0.00 H new ATOM 357 N GLY A 25 -6.672 1.531 8.950 1.00 0.00 N ATOM 358 CA GLY A 25 -7.762 2.052 9.755 1.00 0.00 C ATOM 359 C GLY A 25 -8.325 3.348 9.213 1.00 0.00 C ATOM 360 O GLY A 25 -8.872 4.158 9.963 1.00 0.00 O ATOM 0 H GLY A 25 -6.898 0.686 8.426 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -8.558 1.309 9.805 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.410 2.212 10.774 1.00 0.00 H new ATOM 364 N GLY A 26 -8.190 3.541 7.908 1.00 0.00 N ATOM 365 CA GLY A 26 -8.673 4.751 7.279 1.00 0.00 C ATOM 366 C GLY A 26 -7.940 5.989 7.747 1.00 0.00 C ATOM 367 O GLY A 26 -8.526 7.069 7.850 1.00 0.00 O ATOM 0 H GLY A 26 -7.751 2.876 7.271 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -8.568 4.660 6.198 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -9.737 4.864 7.488 1.00 0.00 H new ATOM 371 N GLU A 27 -6.656 5.836 8.034 1.00 0.00 N ATOM 372 CA GLU A 27 -5.859 6.942 8.535 1.00 0.00 C ATOM 373 C GLU A 27 -5.341 7.822 7.402 1.00 0.00 C ATOM 374 O GLU A 27 -5.715 8.989 7.292 1.00 0.00 O ATOM 375 CB GLU A 27 -4.688 6.424 9.378 1.00 0.00 C ATOM 376 CG GLU A 27 -3.789 7.528 9.919 1.00 0.00 C ATOM 377 CD GLU A 27 -4.536 8.534 10.772 1.00 0.00 C ATOM 378 OE1 GLU A 27 -5.205 9.422 10.207 1.00 0.00 O ATOM 379 OE2 GLU A 27 -4.456 8.439 12.013 1.00 0.00 O ATOM 0 H GLU A 27 -6.146 4.959 7.928 1.00 0.00 H new ATOM 0 HA GLU A 27 -6.507 7.553 9.164 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -5.081 5.845 10.214 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -4.089 5.743 8.773 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.989 7.081 10.510 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.317 8.047 9.084 1.00 0.00 H new ATOM 386 N ILE A 28 -4.501 7.267 6.551 1.00 0.00 N ATOM 387 CA ILE A 28 -3.788 8.087 5.582 1.00 0.00 C ATOM 388 C ILE A 28 -4.448 8.058 4.207 1.00 0.00 C ATOM 389 O ILE A 28 -5.132 7.099 3.845 1.00 0.00 O ATOM 390 CB ILE A 28 -2.295 7.678 5.437 1.00 0.00 C ATOM 391 CG1 ILE A 28 -2.100 6.570 4.386 1.00 0.00 C ATOM 392 CG2 ILE A 28 -1.722 7.249 6.781 1.00 0.00 C ATOM 393 CD1 ILE A 28 -2.501 5.181 4.830 1.00 0.00 C ATOM 0 H ILE A 28 -4.295 6.269 6.507 1.00 0.00 H new ATOM 0 HA ILE A 28 -3.833 9.102 5.977 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.751 8.556 5.088 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.675 6.830 3.497 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.050 6.551 4.092 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.676 6.967 6.657 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.794 8.076 7.488 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.285 6.397 7.161 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.325 4.475 4.019 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -1.909 4.891 5.698 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.559 5.174 5.094 1.00 0.00 H new ATOM 405 N GLY A 29 -4.257 9.139 3.465 1.00 0.00 N ATOM 406 CA GLY A 29 -4.601 9.161 2.063 1.00 0.00 C ATOM 407 C GLY A 29 -6.048 9.511 1.800 1.00 0.00 C ATOM 408 O GLY A 29 -6.343 10.654 1.453 1.00 0.00 O ATOM 0 H GLY A 29 -3.864 10.012 3.818 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.963 9.882 1.552 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.388 8.184 1.630 1.00 0.00 H new ATOM 412 N SER A 30 -6.923 8.505 1.967 1.00 0.00 N ATOM 413 CA SER A 30 -8.371 8.570 1.665 1.00 0.00 C ATOM 414 C SER A 30 -8.676 8.929 0.201 1.00 0.00 C ATOM 415 O SER A 30 -9.449 8.238 -0.464 1.00 0.00 O ATOM 416 CB SER A 30 -9.137 9.491 2.641 1.00 0.00 C ATOM 417 OG SER A 30 -8.542 10.772 2.782 1.00 0.00 O ATOM 0 H SER A 30 -6.638 7.594 2.327 1.00 0.00 H new ATOM 0 HA SER A 30 -8.738 7.555 1.815 1.00 0.00 H new ATOM 0 HB2 SER A 30 -10.162 9.610 2.290 1.00 0.00 H new ATOM 0 HB3 SER A 30 -9.189 9.012 3.619 1.00 0.00 H new ATOM 0 HG SER A 30 -7.945 10.941 2.023 1.00 0.00 H new ATOM 423 N THR A 31 -8.056 9.982 -0.299 1.00 0.00 N ATOM 424 CA THR A 31 -8.298 10.457 -1.646 1.00 0.00 C ATOM 425 C THR A 31 -6.994 10.460 -2.451 1.00 0.00 C ATOM 426 O THR A 31 -6.841 11.217 -3.414 1.00 0.00 O ATOM 427 CB THR A 31 -8.910 11.877 -1.607 1.00 0.00 C ATOM 428 OG1 THR A 31 -9.337 12.282 -2.916 1.00 0.00 O ATOM 429 CG2 THR A 31 -7.915 12.892 -1.047 1.00 0.00 C ATOM 0 H THR A 31 -7.370 10.531 0.219 1.00 0.00 H new ATOM 0 HA THR A 31 -9.004 9.785 -2.134 1.00 0.00 H new ATOM 0 HB THR A 31 -9.777 11.844 -0.947 1.00 0.00 H new ATOM 0 HG1 THR A 31 -8.608 12.141 -3.556 1.00 0.00 H new ATOM 0 HG21 THR A 31 -8.374 13.881 -1.032 1.00 0.00 H new ATOM 0 HG22 THR A 31 -7.635 12.606 -0.033 1.00 0.00 H new ATOM 0 HG23 THR A 31 -7.025 12.914 -1.676 1.00 0.00 H new ATOM 437 N TRP A 32 -6.069 9.577 -2.069 1.00 0.00 N ATOM 438 CA TRP A 32 -4.761 9.499 -2.723 1.00 0.00 C ATOM 439 C TRP A 32 -4.893 9.038 -4.177 1.00 0.00 C ATOM 440 O TRP A 32 -3.964 9.175 -4.971 1.00 0.00 O ATOM 441 CB TRP A 32 -3.805 8.576 -1.947 1.00 0.00 C ATOM 442 CG TRP A 32 -4.287 7.167 -1.821 1.00 0.00 C ATOM 443 CD1 TRP A 32 -4.858 6.421 -2.797 1.00 0.00 C ATOM 444 CD2 TRP A 32 -4.212 6.325 -0.670 1.00 0.00 C ATOM 445 NE1 TRP A 32 -5.174 5.188 -2.329 1.00 0.00 N ATOM 446 CE2 TRP A 32 -4.791 5.095 -1.020 1.00 0.00 C ATOM 447 CE3 TRP A 32 -3.723 6.493 0.621 1.00 0.00 C ATOM 448 CZ2 TRP A 32 -4.893 4.037 -0.124 1.00 0.00 C ATOM 449 CZ3 TRP A 32 -3.824 5.442 1.512 1.00 0.00 C ATOM 450 CH2 TRP A 32 -4.406 4.228 1.137 1.00 0.00 C ATOM 0 H TRP A 32 -6.201 8.907 -1.311 1.00 0.00 H new ATOM 0 HA TRP A 32 -4.337 10.503 -2.724 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -2.835 8.574 -2.445 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -3.651 8.987 -0.949 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -5.037 6.761 -3.807 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -5.625 4.448 -2.867 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -3.273 7.428 0.921 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -5.341 3.098 -0.415 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -3.446 5.561 2.517 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -4.472 3.426 1.858 1.00 0.00 H new ATOM 461 N GLY A 33 -6.042 8.473 -4.518 1.00 0.00 N ATOM 462 CA GLY A 33 -6.240 8.005 -5.866 1.00 0.00 C ATOM 463 C GLY A 33 -5.798 6.575 -6.053 1.00 0.00 C ATOM 464 O GLY A 33 -6.411 5.644 -5.525 1.00 0.00 O ATOM 0 H GLY A 33 -6.832 8.333 -3.888 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -7.295 8.093 -6.126 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -5.688 8.645 -6.554 1.00 0.00 H new ATOM 468 N ASN A 34 -4.720 6.401 -6.804 1.00 0.00 N ATOM 469 CA ASN A 34 -4.173 5.081 -7.057 1.00 0.00 C ATOM 470 C ASN A 34 -2.711 5.033 -6.644 1.00 0.00 C ATOM 471 O ASN A 34 -2.140 6.039 -6.229 1.00 0.00 O ATOM 472 CB ASN A 34 -4.303 4.690 -8.531 1.00 0.00 C ATOM 473 CG ASN A 34 -5.743 4.578 -9.010 1.00 0.00 C ATOM 474 OD1 ASN A 34 -6.034 4.826 -10.177 1.00 0.00 O ATOM 475 ND2 ASN A 34 -6.649 4.204 -8.119 1.00 0.00 N ATOM 0 H ASN A 34 -4.207 7.162 -7.249 1.00 0.00 H new ATOM 0 HA ASN A 34 -4.746 4.368 -6.465 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -3.783 5.429 -9.141 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -3.801 3.735 -8.690 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -7.627 4.113 -8.393 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -6.368 4.007 -7.158 1.00 0.00 H new ATOM 482 N ALA A 35 -2.103 3.871 -6.809 1.00 0.00 N ATOM 483 CA ALA A 35 -0.778 3.602 -6.274 1.00 0.00 C ATOM 484 C ALA A 35 0.325 4.390 -6.980 1.00 0.00 C ATOM 485 O ALA A 35 1.212 4.938 -6.333 1.00 0.00 O ATOM 486 CB ALA A 35 -0.497 2.120 -6.368 1.00 0.00 C ATOM 0 H ALA A 35 -2.513 3.087 -7.317 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.774 3.928 -5.234 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.495 1.912 -5.968 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.242 1.571 -5.793 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.541 1.807 -7.411 1.00 0.00 H new ATOM 492 N ASN A 36 0.271 4.450 -8.304 1.00 0.00 N ATOM 493 CA ASN A 36 1.319 5.114 -9.084 1.00 0.00 C ATOM 494 C ASN A 36 1.282 6.629 -8.898 1.00 0.00 C ATOM 495 O ASN A 36 2.158 7.348 -9.383 1.00 0.00 O ATOM 496 CB ASN A 36 1.210 4.755 -10.575 1.00 0.00 C ATOM 497 CG ASN A 36 -0.154 5.058 -11.183 1.00 0.00 C ATOM 498 OD1 ASN A 36 -0.850 5.988 -10.776 1.00 0.00 O ATOM 499 ND2 ASN A 36 -0.542 4.273 -12.175 1.00 0.00 N ATOM 0 H ASN A 36 -0.483 4.050 -8.863 1.00 0.00 H new ATOM 0 HA ASN A 36 2.277 4.753 -8.711 1.00 0.00 H new ATOM 0 HB2 ASN A 36 1.973 5.303 -11.128 1.00 0.00 H new ATOM 0 HB3 ASN A 36 1.426 3.694 -10.700 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -1.443 4.430 -12.627 1.00 0.00 H new ATOM 0 HD22 ASN A 36 0.060 3.511 -12.488 1.00 0.00 H new ATOM 506 N ASN A 37 0.277 7.099 -8.179 1.00 0.00 N ATOM 507 CA ASN A 37 0.110 8.519 -7.911 1.00 0.00 C ATOM 508 C ASN A 37 0.170 8.766 -6.408 1.00 0.00 C ATOM 509 O ASN A 37 -0.006 9.893 -5.941 1.00 0.00 O ATOM 510 CB ASN A 37 -1.234 8.998 -8.473 1.00 0.00 C ATOM 511 CG ASN A 37 -1.389 10.509 -8.447 1.00 0.00 C ATOM 512 OD1 ASN A 37 -0.415 11.250 -8.571 1.00 0.00 O ATOM 513 ND2 ASN A 37 -2.617 10.975 -8.284 1.00 0.00 N ATOM 0 H ASN A 37 -0.445 6.509 -7.765 1.00 0.00 H new ATOM 0 HA ASN A 37 0.912 9.076 -8.395 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -1.337 8.646 -9.499 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -2.043 8.546 -7.898 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -2.781 11.981 -8.258 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.399 10.328 -8.185 1.00 0.00 H new ATOM 520 N TRP A 38 0.448 7.699 -5.657 1.00 0.00 N ATOM 521 CA TRP A 38 0.415 7.744 -4.200 1.00 0.00 C ATOM 522 C TRP A 38 1.257 8.867 -3.646 1.00 0.00 C ATOM 523 O TRP A 38 0.732 9.769 -3.016 1.00 0.00 O ATOM 524 CB TRP A 38 0.913 6.442 -3.600 1.00 0.00 C ATOM 525 CG TRP A 38 -0.142 5.693 -2.880 1.00 0.00 C ATOM 526 CD1 TRP A 38 -1.414 5.444 -3.295 1.00 0.00 C ATOM 527 CD2 TRP A 38 -0.002 5.081 -1.605 1.00 0.00 C ATOM 528 NE1 TRP A 38 -2.081 4.727 -2.348 1.00 0.00 N ATOM 529 CE2 TRP A 38 -1.232 4.490 -1.288 1.00 0.00 C ATOM 530 CE3 TRP A 38 1.052 4.981 -0.700 1.00 0.00 C ATOM 531 CZ2 TRP A 38 -1.431 3.810 -0.086 1.00 0.00 C ATOM 532 CZ3 TRP A 38 0.850 4.305 0.478 1.00 0.00 C ATOM 533 CH2 TRP A 38 -0.380 3.733 0.777 1.00 0.00 C ATOM 0 H TRP A 38 0.700 6.788 -6.041 1.00 0.00 H new ATOM 0 HA TRP A 38 -0.628 7.910 -3.928 1.00 0.00 H new ATOM 0 HB2 TRP A 38 1.318 5.815 -4.394 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.732 6.655 -2.913 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -1.833 5.767 -4.236 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -3.050 4.416 -2.413 1.00 0.00 H new ATOM 0 HE3 TRP A 38 2.011 5.427 -0.921 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -2.384 3.361 0.152 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 1.662 4.216 1.185 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -0.506 3.215 1.716 1.00 0.00 H new ATOM 544 N ALA A 39 2.561 8.792 -3.876 1.00 0.00 N ATOM 545 CA ALA A 39 3.500 9.785 -3.366 1.00 0.00 C ATOM 546 C ALA A 39 2.999 11.210 -3.602 1.00 0.00 C ATOM 547 O ALA A 39 3.012 12.035 -2.693 1.00 0.00 O ATOM 548 CB ALA A 39 4.864 9.589 -4.008 1.00 0.00 C ATOM 0 H ALA A 39 2.997 8.046 -4.418 1.00 0.00 H new ATOM 0 HA ALA A 39 3.586 9.643 -2.289 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.559 10.335 -3.621 1.00 0.00 H new ATOM 0 HB2 ALA A 39 5.236 8.591 -3.775 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.777 9.700 -5.089 1.00 0.00 H new ATOM 554 N ALA A 40 2.515 11.475 -4.808 1.00 0.00 N ATOM 555 CA ALA A 40 2.067 12.812 -5.179 1.00 0.00 C ATOM 556 C ALA A 40 0.806 13.217 -4.415 1.00 0.00 C ATOM 557 O ALA A 40 0.668 14.367 -3.993 1.00 0.00 O ATOM 558 CB ALA A 40 1.829 12.879 -6.675 1.00 0.00 C ATOM 0 H ALA A 40 2.422 10.780 -5.549 1.00 0.00 H new ATOM 0 HA ALA A 40 2.851 13.519 -4.909 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.494 13.880 -6.946 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.756 12.651 -7.201 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.065 12.153 -6.955 1.00 0.00 H new ATOM 564 N ALA A 41 -0.108 12.272 -4.238 1.00 0.00 N ATOM 565 CA ALA A 41 -1.339 12.529 -3.499 1.00 0.00 C ATOM 566 C ALA A 41 -1.059 12.571 -2.001 1.00 0.00 C ATOM 567 O ALA A 41 -1.615 13.387 -1.270 1.00 0.00 O ATOM 568 CB ALA A 41 -2.377 11.467 -3.816 1.00 0.00 C ATOM 0 H ALA A 41 -0.021 11.321 -4.596 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.732 13.499 -3.804 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.290 11.672 -3.257 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.595 11.479 -4.884 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.992 10.487 -3.535 1.00 0.00 H new ATOM 574 N ALA A 42 -0.183 11.680 -1.567 1.00 0.00 N ATOM 575 CA ALA A 42 0.252 11.610 -0.183 1.00 0.00 C ATOM 576 C ALA A 42 0.880 12.928 0.248 1.00 0.00 C ATOM 577 O ALA A 42 0.574 13.450 1.319 1.00 0.00 O ATOM 578 CB ALA A 42 1.248 10.476 -0.024 1.00 0.00 C ATOM 0 H ALA A 42 0.249 10.980 -2.170 1.00 0.00 H new ATOM 0 HA ALA A 42 -0.613 11.422 0.453 1.00 0.00 H new ATOM 0 HB1 ALA A 42 1.575 10.422 1.014 1.00 0.00 H new ATOM 0 HB2 ALA A 42 0.775 9.535 -0.305 1.00 0.00 H new ATOM 0 HB3 ALA A 42 2.109 10.655 -0.667 1.00 0.00 H new ATOM 584 N GLN A 43 1.758 13.466 -0.592 1.00 0.00 N ATOM 585 CA GLN A 43 2.392 14.749 -0.318 1.00 0.00 C ATOM 586 C GLN A 43 1.368 15.875 -0.381 1.00 0.00 C ATOM 587 O GLN A 43 1.498 16.882 0.310 1.00 0.00 O ATOM 588 CB GLN A 43 3.527 15.010 -1.305 1.00 0.00 C ATOM 589 CG GLN A 43 4.680 14.030 -1.168 1.00 0.00 C ATOM 590 CD GLN A 43 5.763 14.265 -2.198 1.00 0.00 C ATOM 591 OE1 GLN A 43 5.489 14.699 -3.314 1.00 0.00 O ATOM 592 NE2 GLN A 43 7.002 14.000 -1.824 1.00 0.00 N ATOM 0 H GLN A 43 2.046 13.032 -1.469 1.00 0.00 H new ATOM 0 HA GLN A 43 2.810 14.715 0.688 1.00 0.00 H new ATOM 0 HB2 GLN A 43 3.135 14.959 -2.321 1.00 0.00 H new ATOM 0 HB3 GLN A 43 3.901 16.023 -1.158 1.00 0.00 H new ATOM 0 HG2 GLN A 43 5.108 14.114 -0.169 1.00 0.00 H new ATOM 0 HG3 GLN A 43 4.302 13.012 -1.268 1.00 0.00 H new ATOM 0 HE21 GLN A 43 7.186 13.641 -0.887 1.00 0.00 H new ATOM 0 HE22 GLN A 43 7.774 14.155 -2.472 1.00 0.00 H new ATOM 601 N GLY A 44 0.339 15.684 -1.199 1.00 0.00 N ATOM 602 CA GLY A 44 -0.750 16.639 -1.253 1.00 0.00 C ATOM 603 C GLY A 44 -1.502 16.697 0.063 1.00 0.00 C ATOM 604 O GLY A 44 -2.032 17.741 0.446 1.00 0.00 O ATOM 0 H GLY A 44 0.240 14.885 -1.825 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.358 17.627 -1.493 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -1.436 16.365 -2.054 1.00 0.00 H new ATOM 608 N ALA A 45 -1.550 15.563 0.753 1.00 0.00 N ATOM 609 CA ALA A 45 -2.118 15.500 2.089 1.00 0.00 C ATOM 610 C ALA A 45 -1.105 15.999 3.115 1.00 0.00 C ATOM 611 O ALA A 45 -1.462 16.667 4.083 1.00 0.00 O ATOM 612 CB ALA A 45 -2.558 14.082 2.415 1.00 0.00 C ATOM 0 H ALA A 45 -1.199 14.671 0.404 1.00 0.00 H new ATOM 0 HA ALA A 45 -2.996 16.145 2.126 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -2.981 14.054 3.419 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.311 13.760 1.695 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.698 13.414 2.364 1.00 0.00 H new ATOM 618 N GLY A 46 0.163 15.677 2.883 1.00 0.00 N ATOM 619 CA GLY A 46 1.224 16.154 3.750 1.00 0.00 C ATOM 620 C GLY A 46 2.092 15.034 4.296 1.00 0.00 C ATOM 621 O GLY A 46 2.696 15.174 5.360 1.00 0.00 O ATOM 0 H GLY A 46 0.475 15.092 2.108 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.850 16.855 3.198 1.00 0.00 H new ATOM 0 HA3 GLY A 46 0.786 16.705 4.582 1.00 0.00 H new ATOM 625 N PHE A 47 2.162 13.922 3.572 1.00 0.00 N ATOM 626 CA PHE A 47 2.958 12.778 4.013 1.00 0.00 C ATOM 627 C PHE A 47 4.409 12.937 3.574 1.00 0.00 C ATOM 628 O PHE A 47 4.707 13.666 2.630 1.00 0.00 O ATOM 629 CB PHE A 47 2.412 11.458 3.447 1.00 0.00 C ATOM 630 CG PHE A 47 0.961 11.178 3.741 1.00 0.00 C ATOM 631 CD1 PHE A 47 0.235 11.947 4.636 1.00 0.00 C ATOM 632 CD2 PHE A 47 0.320 10.137 3.090 1.00 0.00 C ATOM 633 CE1 PHE A 47 -1.100 11.684 4.869 1.00 0.00 C ATOM 634 CE2 PHE A 47 -1.008 9.865 3.319 1.00 0.00 C ATOM 635 CZ PHE A 47 -1.720 10.643 4.208 1.00 0.00 C ATOM 0 H PHE A 47 1.681 13.787 2.683 1.00 0.00 H new ATOM 0 HA PHE A 47 2.899 12.746 5.101 1.00 0.00 H new ATOM 0 HB2 PHE A 47 2.552 11.461 2.366 1.00 0.00 H new ATOM 0 HB3 PHE A 47 3.010 10.638 3.844 1.00 0.00 H new ATOM 0 HD1 PHE A 47 0.718 12.760 5.157 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.873 9.528 2.390 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -1.658 12.291 5.567 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.491 9.047 2.806 1.00 0.00 H new ATOM 0 HZ PHE A 47 -2.765 10.437 4.387 1.00 0.00 H new ATOM 645 N THR A 48 5.303 12.241 4.260 1.00 0.00 N ATOM 646 CA THR A 48 6.717 12.244 3.915 1.00 0.00 C ATOM 647 C THR A 48 7.070 10.974 3.142 1.00 0.00 C ATOM 648 O THR A 48 7.227 9.906 3.731 1.00 0.00 O ATOM 649 CB THR A 48 7.583 12.323 5.186 1.00 0.00 C ATOM 650 OG1 THR A 48 7.131 13.403 6.021 1.00 0.00 O ATOM 651 CG2 THR A 48 9.054 12.518 4.841 1.00 0.00 C ATOM 0 H THR A 48 5.071 11.661 5.067 1.00 0.00 H new ATOM 0 HA THR A 48 6.916 13.117 3.294 1.00 0.00 H new ATOM 0 HB THR A 48 7.482 11.380 5.723 1.00 0.00 H new ATOM 0 HG1 THR A 48 7.685 13.446 6.828 1.00 0.00 H new ATOM 0 HG21 THR A 48 9.639 12.570 5.759 1.00 0.00 H new ATOM 0 HG22 THR A 48 9.400 11.679 4.237 1.00 0.00 H new ATOM 0 HG23 THR A 48 9.176 13.444 4.280 1.00 0.00 H new ATOM 659 N VAL A 49 7.178 11.073 1.829 1.00 0.00 N ATOM 660 CA VAL A 49 7.397 9.886 1.016 1.00 0.00 C ATOM 661 C VAL A 49 8.892 9.656 0.786 1.00 0.00 C ATOM 662 O VAL A 49 9.623 10.569 0.384 1.00 0.00 O ATOM 663 CB VAL A 49 6.621 9.951 -0.331 1.00 0.00 C ATOM 664 CG1 VAL A 49 5.302 10.685 -0.153 1.00 0.00 C ATOM 665 CG2 VAL A 49 7.437 10.583 -1.444 1.00 0.00 C ATOM 0 H VAL A 49 7.119 11.948 1.308 1.00 0.00 H new ATOM 0 HA VAL A 49 7.002 9.033 1.568 1.00 0.00 H new ATOM 0 HB VAL A 49 6.419 8.923 -0.630 1.00 0.00 H new ATOM 0 HG11 VAL A 49 4.774 10.720 -1.106 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.690 10.161 0.582 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.495 11.701 0.193 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.848 10.603 -2.361 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.707 11.601 -1.164 1.00 0.00 H new ATOM 0 HG23 VAL A 49 8.343 9.999 -1.608 1.00 0.00 H new ATOM 675 N ASN A 50 9.344 8.444 1.104 1.00 0.00 N ATOM 676 CA ASN A 50 10.741 8.045 0.899 1.00 0.00 C ATOM 677 C ASN A 50 11.009 6.679 1.482 1.00 0.00 C ATOM 678 O ASN A 50 11.745 5.881 0.909 1.00 0.00 O ATOM 679 CB ASN A 50 11.738 9.001 1.581 1.00 0.00 C ATOM 680 CG ASN A 50 11.523 9.112 3.086 1.00 0.00 C ATOM 681 OD1 ASN A 50 10.763 9.958 3.552 1.00 0.00 O ATOM 682 ND2 ASN A 50 12.183 8.245 3.859 1.00 0.00 N ATOM 0 H ASN A 50 8.759 7.713 1.509 1.00 0.00 H new ATOM 0 HA ASN A 50 10.883 8.059 -0.182 1.00 0.00 H new ATOM 0 HB2 ASN A 50 12.754 8.655 1.389 1.00 0.00 H new ATOM 0 HB3 ASN A 50 11.648 9.991 1.133 1.00 0.00 H new ATOM 0 HD21 ASN A 50 12.064 8.272 4.872 1.00 0.00 H new ATOM 0 HD22 ASN A 50 12.806 7.556 3.436 1.00 0.00 H new ATOM 689 N HIS A 51 10.402 6.426 2.629 1.00 0.00 N ATOM 690 CA HIS A 51 10.948 5.464 3.555 1.00 0.00 C ATOM 691 C HIS A 51 11.009 4.067 2.996 1.00 0.00 C ATOM 692 O HIS A 51 10.072 3.559 2.395 1.00 0.00 O ATOM 693 CB HIS A 51 10.196 5.470 4.890 1.00 0.00 C ATOM 694 CG HIS A 51 10.959 4.787 5.992 1.00 0.00 C ATOM 695 ND1 HIS A 51 10.396 3.869 6.854 1.00 0.00 N ATOM 696 CD2 HIS A 51 12.259 4.890 6.361 1.00 0.00 C ATOM 697 CE1 HIS A 51 11.316 3.440 7.699 1.00 0.00 C ATOM 698 NE2 HIS A 51 12.454 4.043 7.420 1.00 0.00 N ATOM 0 H HIS A 51 9.537 6.873 2.935 1.00 0.00 H new ATOM 0 HA HIS A 51 11.975 5.782 3.731 1.00 0.00 H new ATOM 0 HB2 HIS A 51 9.990 6.500 5.181 1.00 0.00 H new ATOM 0 HB3 HIS A 51 9.233 4.977 4.761 1.00 0.00 H new ATOM 0 HD1 HIS A 51 9.421 3.568 6.841 1.00 0.00 H new ATOM 0 HD2 HIS A 51 13.005 5.524 5.904 1.00 0.00 H new ATOM 0 HE1 HIS A 51 11.162 2.717 8.486 1.00 0.00 H new ATOM 707 N THR A 52 12.178 3.505 3.138 1.00 0.00 N ATOM 708 CA THR A 52 12.361 2.076 3.092 1.00 0.00 C ATOM 709 C THR A 52 11.267 1.392 3.933 1.00 0.00 C ATOM 710 O THR A 52 11.067 1.749 5.093 1.00 0.00 O ATOM 711 CB THR A 52 13.762 1.767 3.644 1.00 0.00 C ATOM 712 OG1 THR A 52 14.748 2.106 2.660 1.00 0.00 O ATOM 713 CG2 THR A 52 13.914 0.309 4.057 1.00 0.00 C ATOM 0 H THR A 52 13.040 4.029 3.290 1.00 0.00 H new ATOM 0 HA THR A 52 12.280 1.699 2.072 1.00 0.00 H new ATOM 0 HB THR A 52 13.905 2.369 4.541 1.00 0.00 H new ATOM 0 HG1 THR A 52 15.642 1.911 3.012 1.00 0.00 H new ATOM 0 HG21 THR A 52 14.921 0.142 4.440 1.00 0.00 H new ATOM 0 HG22 THR A 52 13.187 0.073 4.834 1.00 0.00 H new ATOM 0 HG23 THR A 52 13.743 -0.334 3.193 1.00 0.00 H new ATOM 721 N PRO A 53 10.531 0.427 3.348 1.00 0.00 N ATOM 722 CA PRO A 53 9.347 -0.188 3.976 1.00 0.00 C ATOM 723 C PRO A 53 9.576 -0.695 5.404 1.00 0.00 C ATOM 724 O PRO A 53 10.696 -1.039 5.796 1.00 0.00 O ATOM 725 CB PRO A 53 9.003 -1.358 3.047 1.00 0.00 C ATOM 726 CG PRO A 53 10.184 -1.517 2.152 1.00 0.00 C ATOM 727 CD PRO A 53 10.793 -0.155 2.027 1.00 0.00 C ATOM 0 HA PRO A 53 8.553 0.551 4.085 1.00 0.00 H new ATOM 0 HB2 PRO A 53 8.816 -2.269 3.616 1.00 0.00 H new ATOM 0 HB3 PRO A 53 8.100 -1.150 2.472 1.00 0.00 H new ATOM 0 HG2 PRO A 53 10.898 -2.227 2.570 1.00 0.00 H new ATOM 0 HG3 PRO A 53 9.886 -1.902 1.177 1.00 0.00 H new ATOM 0 HD2 PRO A 53 11.860 -0.205 1.809 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.331 0.425 1.228 1.00 0.00 H new ATOM 735 N SER A 54 8.485 -0.755 6.164 1.00 0.00 N ATOM 736 CA SER A 54 8.509 -1.125 7.574 1.00 0.00 C ATOM 737 C SER A 54 7.105 -1.565 7.974 1.00 0.00 C ATOM 738 O SER A 54 6.170 -1.402 7.188 1.00 0.00 O ATOM 739 CB SER A 54 8.959 0.062 8.437 1.00 0.00 C ATOM 740 OG SER A 54 10.235 0.539 8.035 1.00 0.00 O ATOM 0 H SER A 54 7.550 -0.546 5.813 1.00 0.00 H new ATOM 0 HA SER A 54 9.218 -1.938 7.731 1.00 0.00 H new ATOM 0 HB2 SER A 54 8.228 0.867 8.362 1.00 0.00 H new ATOM 0 HB3 SER A 54 8.995 -0.240 9.484 1.00 0.00 H new ATOM 0 HG SER A 54 10.763 0.770 8.828 1.00 0.00 H new ATOM 746 N LYS A 55 6.943 -2.114 9.172 1.00 0.00 N ATOM 747 CA LYS A 55 5.642 -2.627 9.587 1.00 0.00 C ATOM 748 C LYS A 55 4.650 -1.491 9.813 1.00 0.00 C ATOM 749 O LYS A 55 5.029 -0.372 10.165 1.00 0.00 O ATOM 750 CB LYS A 55 5.748 -3.480 10.855 1.00 0.00 C ATOM 751 CG LYS A 55 5.824 -2.683 12.140 1.00 0.00 C ATOM 752 CD LYS A 55 5.834 -3.599 13.352 1.00 0.00 C ATOM 753 CE LYS A 55 5.824 -2.811 14.650 1.00 0.00 C ATOM 754 NZ LYS A 55 5.711 -3.701 15.835 1.00 0.00 N ATOM 0 H LYS A 55 7.685 -2.215 9.865 1.00 0.00 H new ATOM 0 HA LYS A 55 5.278 -3.259 8.777 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.885 -4.145 10.904 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.633 -4.112 10.780 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.724 -2.068 12.138 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.974 -2.003 12.201 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.965 -4.257 13.319 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.718 -4.236 13.320 1.00 0.00 H new ATOM 0 HE2 LYS A 55 6.738 -2.221 14.724 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.991 -2.108 14.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.707 -3.126 16.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 4.827 -4.246 15.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.520 -4.355 15.856 1.00 0.00 H new ATOM 768 N GLY A 56 3.380 -1.792 9.597 1.00 0.00 N ATOM 769 CA GLY A 56 2.329 -0.816 9.809 1.00 0.00 C ATOM 770 C GLY A 56 2.390 0.323 8.816 1.00 0.00 C ATOM 771 O GLY A 56 2.055 1.464 9.144 1.00 0.00 O ATOM 0 H GLY A 56 3.054 -2.704 9.275 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.359 -1.308 9.734 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.406 -0.417 10.820 1.00 0.00 H new ATOM 775 N ALA A 57 2.822 0.013 7.604 1.00 0.00 N ATOM 776 CA ALA A 57 2.960 1.011 6.560 1.00 0.00 C ATOM 777 C ALA A 57 2.562 0.430 5.221 1.00 0.00 C ATOM 778 O ALA A 57 1.947 -0.629 5.159 1.00 0.00 O ATOM 779 CB ALA A 57 4.384 1.521 6.498 1.00 0.00 C ATOM 0 H ALA A 57 3.085 -0.931 7.319 1.00 0.00 H new ATOM 0 HA ALA A 57 2.299 1.845 6.794 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.469 2.269 5.709 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.651 1.970 7.454 1.00 0.00 H new ATOM 0 HB3 ALA A 57 5.059 0.692 6.286 1.00 0.00 H new ATOM 785 N ILE A 58 2.909 1.126 4.150 1.00 0.00 N ATOM 786 CA ILE A 58 2.563 0.683 2.814 1.00 0.00 C ATOM 787 C ILE A 58 3.750 0.865 1.876 1.00 0.00 C ATOM 788 O ILE A 58 4.600 1.728 2.099 1.00 0.00 O ATOM 789 CB ILE A 58 1.345 1.443 2.243 1.00 0.00 C ATOM 790 CG1 ILE A 58 0.230 1.583 3.287 1.00 0.00 C ATOM 791 CG2 ILE A 58 0.809 0.733 1.011 1.00 0.00 C ATOM 792 CD1 ILE A 58 0.354 2.812 4.165 1.00 0.00 C ATOM 0 H ILE A 58 3.431 2.002 4.183 1.00 0.00 H new ATOM 0 HA ILE A 58 2.299 -0.372 2.887 1.00 0.00 H new ATOM 0 HB ILE A 58 1.681 2.443 1.967 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.731 1.612 2.774 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.227 0.696 3.921 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.049 1.280 0.620 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.588 0.687 0.250 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.503 -0.278 1.278 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.472 2.837 4.875 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.298 2.777 4.708 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.325 3.707 3.544 1.00 0.00 H new ATOM 804 N LEU A 59 3.804 0.040 0.844 1.00 0.00 N ATOM 805 CA LEU A 59 4.902 0.051 -0.102 1.00 0.00 C ATOM 806 C LEU A 59 4.393 0.445 -1.493 1.00 0.00 C ATOM 807 O LEU A 59 3.468 -0.178 -2.011 1.00 0.00 O ATOM 808 CB LEU A 59 5.550 -1.347 -0.112 1.00 0.00 C ATOM 809 CG LEU A 59 6.899 -1.455 -0.820 1.00 0.00 C ATOM 810 CD1 LEU A 59 6.706 -1.458 -2.326 1.00 0.00 C ATOM 811 CD2 LEU A 59 7.801 -0.323 -0.366 1.00 0.00 C ATOM 0 H LEU A 59 3.087 -0.656 0.640 1.00 0.00 H new ATOM 0 HA LEU A 59 5.651 0.787 0.190 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.677 -1.674 0.920 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.857 -2.043 -0.585 1.00 0.00 H new ATOM 0 HG LEU A 59 7.379 -2.397 -0.555 1.00 0.00 H new ATOM 0 HD11 LEU A 59 7.676 -1.535 -2.817 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.086 -2.308 -2.612 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.217 -0.533 -2.632 1.00 0.00 H new ATOM 0 HD21 LEU A 59 8.764 -0.400 -0.871 1.00 0.00 H new ATOM 0 HD22 LEU A 59 7.338 0.632 -0.612 1.00 0.00 H new ATOM 0 HD23 LEU A 59 7.951 -0.387 0.712 1.00 0.00 H new ATOM 823 N GLN A 60 4.992 1.477 -2.091 1.00 0.00 N ATOM 824 CA GLN A 60 4.562 1.952 -3.410 1.00 0.00 C ATOM 825 C GLN A 60 5.593 1.696 -4.496 1.00 0.00 C ATOM 826 O GLN A 60 6.775 1.974 -4.326 1.00 0.00 O ATOM 827 CB GLN A 60 4.266 3.454 -3.401 1.00 0.00 C ATOM 828 CG GLN A 60 3.903 3.975 -4.787 1.00 0.00 C ATOM 829 CD GLN A 60 4.086 5.470 -4.960 1.00 0.00 C ATOM 830 OE1 GLN A 60 4.051 6.241 -4.004 1.00 0.00 O ATOM 831 NE2 GLN A 60 4.236 5.892 -6.206 1.00 0.00 N ATOM 0 H GLN A 60 5.771 1.997 -1.687 1.00 0.00 H new ATOM 0 HA GLN A 60 3.658 1.385 -3.631 1.00 0.00 H new ATOM 0 HB2 GLN A 60 3.447 3.657 -2.712 1.00 0.00 H new ATOM 0 HB3 GLN A 60 5.137 3.993 -3.028 1.00 0.00 H new ATOM 0 HG2 GLN A 60 4.513 3.458 -5.528 1.00 0.00 H new ATOM 0 HG3 GLN A 60 2.864 3.721 -4.997 1.00 0.00 H new ATOM 0 HE21 GLN A 60 4.260 5.220 -6.973 1.00 0.00 H new ATOM 0 HE22 GLN A 60 4.327 6.889 -6.399 1.00 0.00 H new ATOM 840 N SER A 61 5.105 1.204 -5.624 1.00 0.00 N ATOM 841 CA SER A 61 5.885 1.093 -6.840 1.00 0.00 C ATOM 842 C SER A 61 5.325 2.063 -7.876 1.00 0.00 C ATOM 843 O SER A 61 4.114 2.297 -7.924 1.00 0.00 O ATOM 844 CB SER A 61 5.838 -0.342 -7.367 1.00 0.00 C ATOM 845 OG SER A 61 6.518 -0.468 -8.602 1.00 0.00 O ATOM 0 H SER A 61 4.147 0.868 -5.719 1.00 0.00 H new ATOM 0 HA SER A 61 6.926 1.344 -6.635 1.00 0.00 H new ATOM 0 HB2 SER A 61 6.286 -1.014 -6.635 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.800 -0.651 -7.490 1.00 0.00 H new ATOM 0 HG SER A 61 6.470 -1.397 -8.909 1.00 0.00 H new ATOM 851 N SER A 62 6.205 2.620 -8.695 1.00 0.00 N ATOM 852 CA SER A 62 5.820 3.610 -9.688 1.00 0.00 C ATOM 853 C SER A 62 5.215 2.950 -10.926 1.00 0.00 C ATOM 854 O SER A 62 4.435 3.568 -11.652 1.00 0.00 O ATOM 855 CB SER A 62 7.044 4.438 -10.073 1.00 0.00 C ATOM 856 OG SER A 62 8.169 3.599 -10.298 1.00 0.00 O ATOM 0 H SER A 62 7.201 2.399 -8.690 1.00 0.00 H new ATOM 0 HA SER A 62 5.058 4.259 -9.256 1.00 0.00 H new ATOM 0 HB2 SER A 62 6.830 5.016 -10.972 1.00 0.00 H new ATOM 0 HB3 SER A 62 7.270 5.152 -9.281 1.00 0.00 H new ATOM 0 HG SER A 62 8.942 4.148 -10.545 1.00 0.00 H new ATOM 862 N GLU A 63 5.571 1.694 -11.155 1.00 0.00 N ATOM 863 CA GLU A 63 5.110 0.972 -12.331 1.00 0.00 C ATOM 864 C GLU A 63 3.836 0.191 -12.026 1.00 0.00 C ATOM 865 O GLU A 63 3.526 -0.086 -10.863 1.00 0.00 O ATOM 866 CB GLU A 63 6.213 0.038 -12.844 1.00 0.00 C ATOM 867 CG GLU A 63 6.824 -0.845 -11.769 1.00 0.00 C ATOM 868 CD GLU A 63 8.002 -1.643 -12.277 1.00 0.00 C ATOM 869 OE1 GLU A 63 9.144 -1.143 -12.203 1.00 0.00 O ATOM 870 OE2 GLU A 63 7.791 -2.774 -12.760 1.00 0.00 O ATOM 0 H GLU A 63 6.179 1.153 -10.540 1.00 0.00 H new ATOM 0 HA GLU A 63 4.877 1.696 -13.112 1.00 0.00 H new ATOM 0 HB2 GLU A 63 5.802 -0.596 -13.630 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.001 0.638 -13.298 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.143 -0.224 -10.932 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.064 -1.527 -11.388 1.00 0.00 H new ATOM 877 N GLY A 64 3.095 -0.137 -13.074 1.00 0.00 N ATOM 878 CA GLY A 64 1.856 -0.870 -12.919 1.00 0.00 C ATOM 879 C GLY A 64 0.673 -0.082 -13.445 1.00 0.00 C ATOM 880 O GLY A 64 0.718 1.149 -13.456 1.00 0.00 O ATOM 0 H GLY A 64 3.333 0.094 -14.038 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.926 -1.820 -13.449 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.700 -1.103 -11.866 1.00 0.00 H new ATOM 884 N PRO A 65 -0.405 -0.762 -13.886 1.00 0.00 N ATOM 885 CA PRO A 65 -1.607 -0.105 -14.424 1.00 0.00 C ATOM 886 C PRO A 65 -2.134 0.971 -13.482 1.00 0.00 C ATOM 887 O PRO A 65 -2.375 2.109 -13.884 1.00 0.00 O ATOM 888 CB PRO A 65 -2.628 -1.247 -14.562 1.00 0.00 C ATOM 889 CG PRO A 65 -2.029 -2.414 -13.844 1.00 0.00 C ATOM 890 CD PRO A 65 -0.541 -2.223 -13.902 1.00 0.00 C ATOM 0 HA PRO A 65 -1.404 0.404 -15.366 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -3.587 -0.969 -14.126 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -2.811 -1.484 -15.610 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -2.376 -2.456 -12.812 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -2.320 -3.352 -14.316 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -0.039 -2.686 -13.052 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -0.111 -2.660 -14.803 1.00 0.00 H new ATOM 898 N PHE A 66 -2.302 0.601 -12.223 1.00 0.00 N ATOM 899 CA PHE A 66 -2.696 1.550 -11.194 1.00 0.00 C ATOM 900 C PHE A 66 -1.533 1.773 -10.241 1.00 0.00 C ATOM 901 O PHE A 66 -1.657 2.487 -9.245 1.00 0.00 O ATOM 902 CB PHE A 66 -3.915 1.042 -10.420 1.00 0.00 C ATOM 903 CG PHE A 66 -5.128 0.819 -11.279 1.00 0.00 C ATOM 904 CD1 PHE A 66 -5.912 1.887 -11.677 1.00 0.00 C ATOM 905 CD2 PHE A 66 -5.480 -0.458 -11.684 1.00 0.00 C ATOM 906 CE1 PHE A 66 -7.028 1.688 -12.466 1.00 0.00 C ATOM 907 CE2 PHE A 66 -6.596 -0.664 -12.473 1.00 0.00 C ATOM 908 CZ PHE A 66 -7.371 0.410 -12.865 1.00 0.00 C ATOM 0 H PHE A 66 -2.171 -0.353 -11.888 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.965 2.492 -11.672 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.655 0.107 -9.924 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -4.162 1.760 -9.638 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.648 2.888 -11.367 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.877 -1.301 -11.380 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -7.632 2.530 -12.771 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.862 -1.664 -12.783 1.00 0.00 H new ATOM 0 HZ PHE A 66 -8.243 0.251 -13.482 1.00 0.00 H new ATOM 918 N GLY A 67 -0.398 1.175 -10.576 1.00 0.00 N ATOM 919 CA GLY A 67 0.757 1.209 -9.705 1.00 0.00 C ATOM 920 C GLY A 67 0.718 0.089 -8.687 1.00 0.00 C ATOM 921 O GLY A 67 -0.155 -0.774 -8.749 1.00 0.00 O ATOM 0 H GLY A 67 -0.257 0.662 -11.446 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.666 1.129 -10.301 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.797 2.169 -9.190 1.00 0.00 H new ATOM 925 N HIS A 68 1.648 0.105 -7.745 1.00 0.00 N ATOM 926 CA HIS A 68 1.691 -0.909 -6.691 1.00 0.00 C ATOM 927 C HIS A 68 1.694 -0.266 -5.322 1.00 0.00 C ATOM 928 O HIS A 68 2.675 0.364 -4.956 1.00 0.00 O ATOM 929 CB HIS A 68 2.964 -1.752 -6.778 1.00 0.00 C ATOM 930 CG HIS A 68 3.046 -2.663 -7.967 1.00 0.00 C ATOM 931 ND1 HIS A 68 3.524 -2.269 -9.200 1.00 0.00 N ATOM 932 CD2 HIS A 68 2.734 -3.978 -8.093 1.00 0.00 C ATOM 933 CE1 HIS A 68 3.506 -3.297 -10.027 1.00 0.00 C ATOM 934 NE2 HIS A 68 3.030 -4.343 -9.381 1.00 0.00 N ATOM 0 H HIS A 68 2.385 0.807 -7.685 1.00 0.00 H new ATOM 0 HA HIS A 68 0.807 -1.531 -6.831 1.00 0.00 H new ATOM 0 HB2 HIS A 68 3.824 -1.082 -6.793 1.00 0.00 H new ATOM 0 HB3 HIS A 68 3.045 -2.354 -5.873 1.00 0.00 H new ATOM 0 HD1 HIS A 68 3.842 -1.329 -9.436 1.00 0.00 H new ATOM 0 HD2 HIS A 68 2.328 -4.617 -7.323 1.00 0.00 H new ATOM 0 HE1 HIS A 68 3.827 -3.284 -11.058 1.00 0.00 H new ATOM 943 N VAL A 69 0.609 -0.378 -4.578 1.00 0.00 N ATOM 944 CA VAL A 69 0.690 -0.132 -3.159 1.00 0.00 C ATOM 945 C VAL A 69 0.281 -1.368 -2.387 1.00 0.00 C ATOM 946 O VAL A 69 -0.886 -1.766 -2.364 1.00 0.00 O ATOM 947 CB VAL A 69 -0.126 1.090 -2.709 1.00 0.00 C ATOM 948 CG1 VAL A 69 0.561 2.350 -3.199 1.00 0.00 C ATOM 949 CG2 VAL A 69 -1.559 1.017 -3.215 1.00 0.00 C ATOM 0 H VAL A 69 -0.316 -0.632 -4.926 1.00 0.00 H new ATOM 0 HA VAL A 69 1.732 0.101 -2.939 1.00 0.00 H new ATOM 0 HB VAL A 69 -0.174 1.104 -1.620 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.011 3.222 -2.884 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.565 2.404 -2.779 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.624 2.331 -4.287 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -2.109 1.896 -2.879 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.559 0.983 -4.304 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.037 0.119 -2.824 1.00 0.00 H new ATOM 959 N ALA A 70 1.269 -1.978 -1.777 1.00 0.00 N ATOM 960 CA ALA A 70 1.059 -3.152 -0.970 1.00 0.00 C ATOM 961 C ALA A 70 1.252 -2.789 0.478 1.00 0.00 C ATOM 962 O ALA A 70 2.282 -2.225 0.848 1.00 0.00 O ATOM 963 CB ALA A 70 2.018 -4.260 -1.372 1.00 0.00 C ATOM 0 H ALA A 70 2.241 -1.673 -1.827 1.00 0.00 H new ATOM 0 HA ALA A 70 0.044 -3.519 -1.124 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.842 -5.137 -0.750 1.00 0.00 H new ATOM 0 HB2 ALA A 70 1.857 -4.519 -2.418 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.045 -3.919 -1.237 1.00 0.00 H new ATOM 969 N TYR A 71 0.268 -3.089 1.294 1.00 0.00 N ATOM 970 CA TYR A 71 0.353 -2.762 2.698 1.00 0.00 C ATOM 971 C TYR A 71 1.394 -3.654 3.365 1.00 0.00 C ATOM 972 O TYR A 71 1.368 -4.876 3.225 1.00 0.00 O ATOM 973 CB TYR A 71 -1.026 -2.894 3.355 1.00 0.00 C ATOM 974 CG TYR A 71 -0.969 -3.103 4.852 1.00 0.00 C ATOM 975 CD1 TYR A 71 -0.884 -2.029 5.727 1.00 0.00 C ATOM 976 CD2 TYR A 71 -0.982 -4.387 5.385 1.00 0.00 C ATOM 977 CE1 TYR A 71 -0.816 -2.229 7.096 1.00 0.00 C ATOM 978 CE2 TYR A 71 -0.912 -4.595 6.749 1.00 0.00 C ATOM 979 CZ TYR A 71 -0.830 -3.514 7.600 1.00 0.00 C ATOM 980 OH TYR A 71 -0.757 -3.720 8.961 1.00 0.00 O ATOM 0 H TYR A 71 -0.594 -3.555 1.013 1.00 0.00 H new ATOM 0 HA TYR A 71 0.671 -1.727 2.821 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -1.606 -1.996 3.144 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -1.557 -3.730 2.900 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -0.871 -1.023 5.335 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -1.048 -5.236 4.721 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -0.752 -1.384 7.766 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -0.921 -5.599 7.146 1.00 0.00 H new ATOM 0 HH TYR A 71 -0.780 -4.682 9.148 1.00 0.00 H new ATOM 990 N VAL A 72 2.323 -3.026 4.062 1.00 0.00 N ATOM 991 CA VAL A 72 3.443 -3.729 4.653 1.00 0.00 C ATOM 992 C VAL A 72 3.086 -4.214 6.045 1.00 0.00 C ATOM 993 O VAL A 72 2.770 -3.414 6.931 1.00 0.00 O ATOM 994 CB VAL A 72 4.687 -2.827 4.747 1.00 0.00 C ATOM 995 CG1 VAL A 72 5.919 -3.649 5.093 1.00 0.00 C ATOM 996 CG2 VAL A 72 4.892 -2.042 3.458 1.00 0.00 C ATOM 0 H VAL A 72 2.322 -2.020 4.233 1.00 0.00 H new ATOM 0 HA VAL A 72 3.670 -4.578 4.008 1.00 0.00 H new ATOM 0 HB VAL A 72 4.526 -2.106 5.549 1.00 0.00 H new ATOM 0 HG11 VAL A 72 6.788 -2.994 5.155 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.769 -4.144 6.052 1.00 0.00 H new ATOM 0 HG13 VAL A 72 6.085 -4.399 4.320 1.00 0.00 H new ATOM 0 HG21 VAL A 72 5.777 -1.413 3.552 1.00 0.00 H new ATOM 0 HG22 VAL A 72 5.025 -2.735 2.627 1.00 0.00 H new ATOM 0 HG23 VAL A 72 4.020 -1.415 3.271 1.00 0.00 H new ATOM 1006 N GLU A 73 3.137 -5.519 6.236 1.00 0.00 N ATOM 1007 CA GLU A 73 2.823 -6.100 7.525 1.00 0.00 C ATOM 1008 C GLU A 73 3.979 -5.895 8.485 1.00 0.00 C ATOM 1009 O GLU A 73 3.765 -5.623 9.667 1.00 0.00 O ATOM 1010 CB GLU A 73 2.523 -7.591 7.397 1.00 0.00 C ATOM 1011 CG GLU A 73 1.415 -7.921 6.413 1.00 0.00 C ATOM 1012 CD GLU A 73 0.998 -9.373 6.499 1.00 0.00 C ATOM 1013 OE1 GLU A 73 1.844 -10.252 6.235 1.00 0.00 O ATOM 1014 OE2 GLU A 73 -0.171 -9.646 6.847 1.00 0.00 O ATOM 0 H GLU A 73 3.392 -6.194 5.516 1.00 0.00 H new ATOM 0 HA GLU A 73 1.935 -5.600 7.912 1.00 0.00 H new ATOM 0 HB2 GLU A 73 3.432 -8.108 7.090 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.251 -7.981 8.378 1.00 0.00 H new ATOM 0 HG2 GLU A 73 0.553 -7.283 6.610 1.00 0.00 H new ATOM 0 HG3 GLU A 73 1.751 -7.699 5.400 1.00 0.00 H new ATOM 1021 N SER A 74 5.201 -5.992 7.960 1.00 0.00 N ATOM 1022 CA SER A 74 6.401 -5.925 8.783 1.00 0.00 C ATOM 1023 C SER A 74 7.649 -6.137 7.935 1.00 0.00 C ATOM 1024 O SER A 74 7.571 -6.600 6.794 1.00 0.00 O ATOM 1025 CB SER A 74 6.351 -6.987 9.889 1.00 0.00 C ATOM 1026 OG SER A 74 7.384 -6.797 10.843 1.00 0.00 O ATOM 0 H SER A 74 5.382 -6.118 6.964 1.00 0.00 H new ATOM 0 HA SER A 74 6.443 -4.934 9.235 1.00 0.00 H new ATOM 0 HB2 SER A 74 5.383 -6.948 10.388 1.00 0.00 H new ATOM 0 HB3 SER A 74 6.442 -7.979 9.446 1.00 0.00 H new ATOM 0 HG SER A 74 7.322 -7.489 11.534 1.00 0.00 H new ATOM 1032 N VAL A 75 8.796 -5.793 8.499 1.00 0.00 N ATOM 1033 CA VAL A 75 10.077 -6.071 7.868 1.00 0.00 C ATOM 1034 C VAL A 75 10.696 -7.306 8.521 1.00 0.00 C ATOM 1035 O VAL A 75 10.558 -7.515 9.730 1.00 0.00 O ATOM 1036 CB VAL A 75 11.048 -4.863 7.970 1.00 0.00 C ATOM 1037 CG1 VAL A 75 11.347 -4.516 9.422 1.00 0.00 C ATOM 1038 CG2 VAL A 75 12.339 -5.130 7.202 1.00 0.00 C ATOM 0 H VAL A 75 8.866 -5.318 9.399 1.00 0.00 H new ATOM 0 HA VAL A 75 9.906 -6.255 6.807 1.00 0.00 H new ATOM 0 HB VAL A 75 10.554 -4.005 7.515 1.00 0.00 H new ATOM 0 HG11 VAL A 75 12.029 -3.667 9.460 1.00 0.00 H new ATOM 0 HG12 VAL A 75 10.419 -4.259 9.933 1.00 0.00 H new ATOM 0 HG13 VAL A 75 11.807 -5.373 9.914 1.00 0.00 H new ATOM 0 HG21 VAL A 75 13.000 -4.268 7.291 1.00 0.00 H new ATOM 0 HG22 VAL A 75 12.833 -6.010 7.615 1.00 0.00 H new ATOM 0 HG23 VAL A 75 12.108 -5.303 6.151 1.00 0.00 H new ATOM 1048 N ASN A 76 11.347 -8.135 7.724 1.00 0.00 N ATOM 1049 CA ASN A 76 11.911 -9.377 8.224 1.00 0.00 C ATOM 1050 C ASN A 76 13.327 -9.161 8.743 1.00 0.00 C ATOM 1051 O ASN A 76 13.905 -8.082 8.580 1.00 0.00 O ATOM 1052 CB ASN A 76 11.918 -10.453 7.135 1.00 0.00 C ATOM 1053 CG ASN A 76 10.516 -10.845 6.702 1.00 0.00 C ATOM 1054 OD1 ASN A 76 9.900 -11.732 7.286 1.00 0.00 O ATOM 1055 ND2 ASN A 76 10.013 -10.199 5.661 1.00 0.00 N ATOM 0 H ASN A 76 11.498 -7.971 6.729 1.00 0.00 H new ATOM 0 HA ASN A 76 11.282 -9.716 9.048 1.00 0.00 H new ATOM 0 HB2 ASN A 76 12.474 -10.089 6.271 1.00 0.00 H new ATOM 0 HB3 ASN A 76 12.442 -11.335 7.503 1.00 0.00 H new ATOM 0 HD21 ASN A 76 9.082 -10.433 5.317 1.00 0.00 H new ATOM 0 HD22 ASN A 76 10.557 -9.468 5.203 1.00 0.00 H new ATOM 1062 N SER A 77 13.890 -10.202 9.339 1.00 0.00 N ATOM 1063 CA SER A 77 15.216 -10.133 9.942 1.00 0.00 C ATOM 1064 C SER A 77 16.312 -9.991 8.887 1.00 0.00 C ATOM 1065 O SER A 77 17.462 -9.694 9.209 1.00 0.00 O ATOM 1066 CB SER A 77 15.459 -11.395 10.771 1.00 0.00 C ATOM 1067 OG SER A 77 14.379 -11.629 11.659 1.00 0.00 O ATOM 0 H SER A 77 13.444 -11.116 9.419 1.00 0.00 H new ATOM 0 HA SER A 77 15.253 -9.249 10.579 1.00 0.00 H new ATOM 0 HB2 SER A 77 15.584 -12.252 10.109 1.00 0.00 H new ATOM 0 HB3 SER A 77 16.385 -11.291 11.337 1.00 0.00 H new ATOM 0 HG SER A 77 14.553 -12.441 12.179 1.00 0.00 H new ATOM 1073 N ASP A 78 15.959 -10.201 7.627 1.00 0.00 N ATOM 1074 CA ASP A 78 16.950 -10.193 6.557 1.00 0.00 C ATOM 1075 C ASP A 78 16.939 -8.872 5.802 1.00 0.00 C ATOM 1076 O ASP A 78 17.757 -8.652 4.910 1.00 0.00 O ATOM 1077 CB ASP A 78 16.703 -11.349 5.589 1.00 0.00 C ATOM 1078 CG ASP A 78 16.647 -12.692 6.289 1.00 0.00 C ATOM 1079 OD1 ASP A 78 17.509 -12.957 7.152 1.00 0.00 O ATOM 1080 OD2 ASP A 78 15.736 -13.488 5.974 1.00 0.00 O ATOM 0 H ASP A 78 15.002 -10.378 7.321 1.00 0.00 H new ATOM 0 HA ASP A 78 17.931 -10.316 7.015 1.00 0.00 H new ATOM 0 HB2 ASP A 78 15.766 -11.180 5.059 1.00 0.00 H new ATOM 0 HB3 ASP A 78 17.495 -11.366 4.840 1.00 0.00 H new ATOM 1085 N GLY A 79 16.022 -7.987 6.167 1.00 0.00 N ATOM 1086 CA GLY A 79 15.929 -6.702 5.502 1.00 0.00 C ATOM 1087 C GLY A 79 14.817 -6.673 4.479 1.00 0.00 C ATOM 1088 O GLY A 79 14.383 -5.606 4.049 1.00 0.00 O ATOM 0 H GLY A 79 15.341 -8.135 6.911 1.00 0.00 H new ATOM 0 HA2 GLY A 79 15.760 -5.921 6.244 1.00 0.00 H new ATOM 0 HA3 GLY A 79 16.877 -6.477 5.013 1.00 0.00 H new ATOM 1092 N SER A 80 14.358 -7.849 4.087 1.00 0.00 N ATOM 1093 CA SER A 80 13.240 -7.965 3.172 1.00 0.00 C ATOM 1094 C SER A 80 11.928 -7.727 3.913 1.00 0.00 C ATOM 1095 O SER A 80 11.799 -8.077 5.084 1.00 0.00 O ATOM 1096 CB SER A 80 13.255 -9.347 2.523 1.00 0.00 C ATOM 1097 OG SER A 80 13.644 -10.338 3.462 1.00 0.00 O ATOM 0 H SER A 80 14.747 -8.742 4.392 1.00 0.00 H new ATOM 0 HA SER A 80 13.329 -7.210 2.391 1.00 0.00 H new ATOM 0 HB2 SER A 80 12.266 -9.580 2.129 1.00 0.00 H new ATOM 0 HB3 SER A 80 13.943 -9.350 1.678 1.00 0.00 H new ATOM 0 HG SER A 80 13.646 -11.217 3.028 1.00 0.00 H new ATOM 1103 N VAL A 81 10.958 -7.129 3.244 1.00 0.00 N ATOM 1104 CA VAL A 81 9.703 -6.787 3.896 1.00 0.00 C ATOM 1105 C VAL A 81 8.561 -7.669 3.413 1.00 0.00 C ATOM 1106 O VAL A 81 8.492 -8.036 2.237 1.00 0.00 O ATOM 1107 CB VAL A 81 9.330 -5.305 3.687 1.00 0.00 C ATOM 1108 CG1 VAL A 81 10.384 -4.399 4.305 1.00 0.00 C ATOM 1109 CG2 VAL A 81 9.147 -4.990 2.212 1.00 0.00 C ATOM 0 H VAL A 81 11.012 -6.871 2.259 1.00 0.00 H new ATOM 0 HA VAL A 81 9.856 -6.960 4.961 1.00 0.00 H new ATOM 0 HB VAL A 81 8.380 -5.121 4.188 1.00 0.00 H new ATOM 0 HG11 VAL A 81 10.105 -3.357 4.148 1.00 0.00 H new ATOM 0 HG12 VAL A 81 10.454 -4.599 5.374 1.00 0.00 H new ATOM 0 HG13 VAL A 81 11.349 -4.591 3.836 1.00 0.00 H new ATOM 0 HG21 VAL A 81 8.885 -3.939 2.094 1.00 0.00 H new ATOM 0 HG22 VAL A 81 10.075 -5.194 1.678 1.00 0.00 H new ATOM 0 HG23 VAL A 81 8.350 -5.611 1.804 1.00 0.00 H new ATOM 1119 N THR A 82 7.678 -8.015 4.333 1.00 0.00 N ATOM 1120 CA THR A 82 6.504 -8.801 4.014 1.00 0.00 C ATOM 1121 C THR A 82 5.319 -7.877 3.757 1.00 0.00 C ATOM 1122 O THR A 82 4.902 -7.123 4.640 1.00 0.00 O ATOM 1123 CB THR A 82 6.172 -9.784 5.157 1.00 0.00 C ATOM 1124 OG1 THR A 82 7.285 -10.660 5.389 1.00 0.00 O ATOM 1125 CG2 THR A 82 4.932 -10.609 4.837 1.00 0.00 C ATOM 0 H THR A 82 7.756 -7.759 5.317 1.00 0.00 H new ATOM 0 HA THR A 82 6.710 -9.382 3.115 1.00 0.00 H new ATOM 0 HB THR A 82 5.971 -9.198 6.054 1.00 0.00 H new ATOM 0 HG1 THR A 82 7.527 -11.110 4.553 1.00 0.00 H new ATOM 0 HG21 THR A 82 4.726 -11.291 5.662 1.00 0.00 H new ATOM 0 HG22 THR A 82 4.080 -9.945 4.694 1.00 0.00 H new ATOM 0 HG23 THR A 82 5.102 -11.183 3.926 1.00 0.00 H new ATOM 1133 N ILE A 83 4.800 -7.917 2.540 1.00 0.00 N ATOM 1134 CA ILE A 83 3.721 -7.028 2.144 1.00 0.00 C ATOM 1135 C ILE A 83 2.495 -7.822 1.724 1.00 0.00 C ATOM 1136 O ILE A 83 2.584 -9.012 1.417 1.00 0.00 O ATOM 1137 CB ILE A 83 4.143 -6.104 0.979 1.00 0.00 C ATOM 1138 CG1 ILE A 83 4.551 -6.939 -0.239 1.00 0.00 C ATOM 1139 CG2 ILE A 83 5.281 -5.189 1.409 1.00 0.00 C ATOM 1140 CD1 ILE A 83 4.899 -6.119 -1.462 1.00 0.00 C ATOM 0 H ILE A 83 5.110 -8.557 1.809 1.00 0.00 H new ATOM 0 HA ILE A 83 3.482 -6.413 3.012 1.00 0.00 H new ATOM 0 HB ILE A 83 3.292 -5.482 0.702 1.00 0.00 H new ATOM 0 HG12 ILE A 83 5.409 -7.556 0.028 1.00 0.00 H new ATOM 0 HG13 ILE A 83 3.736 -7.618 -0.490 1.00 0.00 H new ATOM 0 HG21 ILE A 83 5.565 -4.546 0.576 1.00 0.00 H new ATOM 0 HG22 ILE A 83 4.956 -4.574 2.248 1.00 0.00 H new ATOM 0 HG23 ILE A 83 6.138 -5.791 1.711 1.00 0.00 H new ATOM 0 HD11 ILE A 83 5.177 -6.785 -2.279 1.00 0.00 H new ATOM 0 HD12 ILE A 83 4.036 -5.522 -1.757 1.00 0.00 H new ATOM 0 HD13 ILE A 83 5.735 -5.459 -1.232 1.00 0.00 H new ATOM 1152 N SER A 84 1.350 -7.166 1.728 1.00 0.00 N ATOM 1153 CA SER A 84 0.116 -7.782 1.285 1.00 0.00 C ATOM 1154 C SER A 84 -0.757 -6.768 0.561 1.00 0.00 C ATOM 1155 O SER A 84 -1.189 -5.770 1.139 1.00 0.00 O ATOM 1156 CB SER A 84 -0.632 -8.383 2.475 1.00 0.00 C ATOM 1157 OG SER A 84 0.134 -9.415 3.076 1.00 0.00 O ATOM 0 H SER A 84 1.250 -6.199 2.036 1.00 0.00 H new ATOM 0 HA SER A 84 0.358 -8.583 0.587 1.00 0.00 H new ATOM 0 HB2 SER A 84 -0.844 -7.605 3.209 1.00 0.00 H new ATOM 0 HB3 SER A 84 -1.592 -8.780 2.145 1.00 0.00 H new ATOM 0 HG SER A 84 -0.359 -9.787 3.837 1.00 0.00 H new ATOM 1163 N GLU A 85 -0.977 -7.010 -0.719 1.00 0.00 N ATOM 1164 CA GLU A 85 -1.879 -6.190 -1.512 1.00 0.00 C ATOM 1165 C GLU A 85 -2.961 -7.069 -2.131 1.00 0.00 C ATOM 1166 O GLU A 85 -2.673 -7.963 -2.925 1.00 0.00 O ATOM 1167 CB GLU A 85 -1.109 -5.408 -2.594 1.00 0.00 C ATOM 1168 CG GLU A 85 -0.300 -6.283 -3.544 1.00 0.00 C ATOM 1169 CD GLU A 85 0.514 -5.483 -4.550 1.00 0.00 C ATOM 1170 OE1 GLU A 85 -0.088 -4.823 -5.421 1.00 0.00 O ATOM 1171 OE2 GLU A 85 1.762 -5.528 -4.479 1.00 0.00 O ATOM 0 H GLU A 85 -0.540 -7.773 -1.236 1.00 0.00 H new ATOM 0 HA GLU A 85 -2.355 -5.457 -0.860 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -1.819 -4.821 -3.176 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -0.436 -4.703 -2.106 1.00 0.00 H new ATOM 0 HG2 GLU A 85 0.372 -6.914 -2.963 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -0.977 -6.948 -4.081 1.00 0.00 H new ATOM 1178 N MET A 86 -4.200 -6.857 -1.719 1.00 0.00 N ATOM 1179 CA MET A 86 -5.315 -7.617 -2.259 1.00 0.00 C ATOM 1180 C MET A 86 -5.661 -7.167 -3.661 1.00 0.00 C ATOM 1181 O MET A 86 -5.643 -5.973 -3.959 1.00 0.00 O ATOM 1182 CB MET A 86 -6.552 -7.492 -1.378 1.00 0.00 C ATOM 1183 CG MET A 86 -6.805 -8.706 -0.512 1.00 0.00 C ATOM 1184 SD MET A 86 -5.648 -8.832 0.863 1.00 0.00 S ATOM 1185 CE MET A 86 -6.504 -9.998 1.916 1.00 0.00 C ATOM 0 H MET A 86 -4.459 -6.167 -1.014 1.00 0.00 H new ATOM 0 HA MET A 86 -4.999 -8.660 -2.285 1.00 0.00 H new ATOM 0 HB2 MET A 86 -6.445 -6.616 -0.738 1.00 0.00 H new ATOM 0 HB3 MET A 86 -7.423 -7.320 -2.011 1.00 0.00 H new ATOM 0 HG2 MET A 86 -7.822 -8.664 -0.123 1.00 0.00 H new ATOM 0 HG3 MET A 86 -6.735 -9.605 -1.124 1.00 0.00 H new ATOM 0 HE1 MET A 86 -5.881 -10.235 2.778 1.00 0.00 H new ATOM 0 HE2 MET A 86 -7.443 -9.560 2.256 1.00 0.00 H new ATOM 0 HE3 MET A 86 -6.711 -10.910 1.356 1.00 0.00 H new ATOM 1195 N ASN A 87 -5.987 -8.141 -4.499 1.00 0.00 N ATOM 1196 CA ASN A 87 -6.373 -7.911 -5.893 1.00 0.00 C ATOM 1197 C ASN A 87 -5.238 -7.315 -6.718 1.00 0.00 C ATOM 1198 O ASN A 87 -4.683 -7.996 -7.581 1.00 0.00 O ATOM 1199 CB ASN A 87 -7.617 -7.014 -5.981 1.00 0.00 C ATOM 1200 CG ASN A 87 -8.082 -6.769 -7.407 1.00 0.00 C ATOM 1201 OD1 ASN A 87 -8.856 -7.543 -7.958 1.00 0.00 O ATOM 1202 ND2 ASN A 87 -7.637 -5.673 -8.003 1.00 0.00 N ATOM 0 H ASN A 87 -5.992 -9.125 -4.232 1.00 0.00 H new ATOM 0 HA ASN A 87 -6.610 -8.888 -6.315 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -8.428 -7.473 -5.416 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -7.400 -6.057 -5.507 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -7.938 -5.450 -8.952 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -6.993 -5.052 -7.513 1.00 0.00 H new ATOM 1209 N TYR A 88 -4.891 -6.054 -6.434 1.00 0.00 N ATOM 1210 CA TYR A 88 -3.955 -5.283 -7.253 1.00 0.00 C ATOM 1211 C TYR A 88 -4.518 -5.085 -8.663 1.00 0.00 C ATOM 1212 O TYR A 88 -4.980 -3.996 -9.008 1.00 0.00 O ATOM 1213 CB TYR A 88 -2.570 -5.956 -7.291 1.00 0.00 C ATOM 1214 CG TYR A 88 -1.676 -5.477 -8.414 1.00 0.00 C ATOM 1215 CD1 TYR A 88 -1.337 -4.136 -8.545 1.00 0.00 C ATOM 1216 CD2 TYR A 88 -1.184 -6.373 -9.354 1.00 0.00 C ATOM 1217 CE1 TYR A 88 -0.534 -3.704 -9.581 1.00 0.00 C ATOM 1218 CE2 TYR A 88 -0.377 -5.950 -10.389 1.00 0.00 C ATOM 1219 CZ TYR A 88 -0.057 -4.615 -10.501 1.00 0.00 C ATOM 1220 OH TYR A 88 0.742 -4.190 -11.537 1.00 0.00 O ATOM 0 H TYR A 88 -5.252 -5.542 -5.630 1.00 0.00 H new ATOM 0 HA TYR A 88 -3.828 -4.300 -6.799 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -2.067 -5.779 -6.341 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -2.705 -7.034 -7.384 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -1.707 -3.421 -7.825 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -1.438 -7.420 -9.273 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -0.280 -2.658 -9.671 1.00 0.00 H new ATOM 0 HE2 TYR A 88 0.002 -6.661 -11.108 1.00 0.00 H new ATOM 0 HH TYR A 88 0.992 -4.957 -12.093 1.00 0.00 H new ATOM 1230 N SER A 89 -4.508 -6.152 -9.444 1.00 0.00 N ATOM 1231 CA SER A 89 -4.994 -6.131 -10.809 1.00 0.00 C ATOM 1232 C SER A 89 -4.999 -7.553 -11.354 1.00 0.00 C ATOM 1233 O SER A 89 -4.019 -8.000 -11.952 1.00 0.00 O ATOM 1234 CB SER A 89 -4.113 -5.220 -11.677 1.00 0.00 C ATOM 1235 OG SER A 89 -4.586 -5.147 -13.010 1.00 0.00 O ATOM 0 H SER A 89 -4.159 -7.063 -9.144 1.00 0.00 H new ATOM 0 HA SER A 89 -6.009 -5.733 -10.830 1.00 0.00 H new ATOM 0 HB2 SER A 89 -4.088 -4.220 -11.245 1.00 0.00 H new ATOM 0 HB3 SER A 89 -3.089 -5.594 -11.674 1.00 0.00 H new ATOM 0 HG SER A 89 -4.002 -4.558 -13.532 1.00 0.00 H new ATOM 1241 N GLY A 90 -6.086 -8.277 -11.114 1.00 0.00 N ATOM 1242 CA GLY A 90 -6.157 -9.651 -11.570 1.00 0.00 C ATOM 1243 C GLY A 90 -7.288 -10.431 -10.936 1.00 0.00 C ATOM 1244 O GLY A 90 -8.183 -10.913 -11.631 1.00 0.00 O ATOM 0 H GLY A 90 -6.911 -7.941 -10.617 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -6.279 -9.662 -12.653 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -5.213 -10.149 -11.351 1.00 0.00 H new ATOM 1248 N GLY A 91 -7.248 -10.566 -9.619 1.00 0.00 N ATOM 1249 CA GLY A 91 -8.261 -11.335 -8.923 1.00 0.00 C ATOM 1250 C GLY A 91 -8.713 -10.663 -7.646 1.00 0.00 C ATOM 1251 O GLY A 91 -7.883 -10.309 -6.808 1.00 0.00 O ATOM 0 H GLY A 91 -6.532 -10.157 -9.019 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -9.120 -11.479 -9.579 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -7.868 -12.325 -8.691 1.00 0.00 H new ATOM 1255 N PRO A 92 -10.029 -10.465 -7.473 1.00 0.00 N ATOM 1256 CA PRO A 92 -10.585 -9.814 -6.284 1.00 0.00 C ATOM 1257 C PRO A 92 -10.176 -10.510 -4.987 1.00 0.00 C ATOM 1258 O PRO A 92 -10.430 -11.702 -4.799 1.00 0.00 O ATOM 1259 CB PRO A 92 -12.098 -9.909 -6.494 1.00 0.00 C ATOM 1260 CG PRO A 92 -12.268 -10.059 -7.965 1.00 0.00 C ATOM 1261 CD PRO A 92 -11.081 -10.850 -8.430 1.00 0.00 C ATOM 0 HA PRO A 92 -10.222 -8.792 -6.178 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -12.519 -10.760 -5.958 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -12.605 -9.017 -6.126 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -13.199 -10.574 -8.201 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -12.308 -9.087 -8.456 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -11.276 -11.922 -8.405 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -10.806 -10.600 -9.454 1.00 0.00 H new ATOM 1269 N PHE A 93 -9.516 -9.746 -4.116 1.00 0.00 N ATOM 1270 CA PHE A 93 -9.086 -10.206 -2.796 1.00 0.00 C ATOM 1271 C PHE A 93 -7.925 -11.182 -2.881 1.00 0.00 C ATOM 1272 O PHE A 93 -7.551 -11.789 -1.876 1.00 0.00 O ATOM 1273 CB PHE A 93 -10.226 -10.839 -1.999 1.00 0.00 C ATOM 1274 CG PHE A 93 -11.317 -9.881 -1.616 1.00 0.00 C ATOM 1275 CD1 PHE A 93 -11.220 -9.136 -0.452 1.00 0.00 C ATOM 1276 CD2 PHE A 93 -12.443 -9.733 -2.410 1.00 0.00 C ATOM 1277 CE1 PHE A 93 -12.226 -8.261 -0.087 1.00 0.00 C ATOM 1278 CE2 PHE A 93 -13.453 -8.862 -2.049 1.00 0.00 C ATOM 1279 CZ PHE A 93 -13.343 -8.124 -0.886 1.00 0.00 C ATOM 0 H PHE A 93 -9.262 -8.777 -4.310 1.00 0.00 H new ATOM 0 HA PHE A 93 -8.754 -9.311 -2.269 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -10.659 -11.649 -2.586 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -9.816 -11.286 -1.093 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -10.349 -9.240 0.177 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -12.532 -10.305 -3.322 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -12.138 -7.685 0.822 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -14.327 -8.758 -2.675 1.00 0.00 H new ATOM 0 HZ PHE A 93 -14.130 -7.441 -0.603 1.00 0.00 H new ATOM 1289 N SER A 94 -7.348 -11.334 -4.063 1.00 0.00 N ATOM 1290 CA SER A 94 -6.148 -12.131 -4.196 1.00 0.00 C ATOM 1291 C SER A 94 -4.988 -11.400 -3.555 1.00 0.00 C ATOM 1292 O SER A 94 -4.322 -10.590 -4.194 1.00 0.00 O ATOM 1293 CB SER A 94 -5.830 -12.435 -5.659 1.00 0.00 C ATOM 1294 OG SER A 94 -6.851 -13.228 -6.244 1.00 0.00 O ATOM 0 H SER A 94 -7.689 -10.920 -4.931 1.00 0.00 H new ATOM 0 HA SER A 94 -6.313 -13.083 -3.692 1.00 0.00 H new ATOM 0 HB2 SER A 94 -5.725 -11.503 -6.214 1.00 0.00 H new ATOM 0 HB3 SER A 94 -4.875 -12.956 -5.727 1.00 0.00 H new ATOM 0 HG SER A 94 -6.628 -13.409 -7.181 1.00 0.00 H new ATOM 1300 N VAL A 95 -4.813 -11.630 -2.267 1.00 0.00 N ATOM 1301 CA VAL A 95 -3.710 -11.046 -1.542 1.00 0.00 C ATOM 1302 C VAL A 95 -2.383 -11.466 -2.177 1.00 0.00 C ATOM 1303 O VAL A 95 -2.001 -12.639 -2.139 1.00 0.00 O ATOM 1304 CB VAL A 95 -3.744 -11.427 -0.041 1.00 0.00 C ATOM 1305 CG1 VAL A 95 -3.913 -12.925 0.151 1.00 0.00 C ATOM 1306 CG2 VAL A 95 -2.495 -10.935 0.668 1.00 0.00 C ATOM 0 H VAL A 95 -5.425 -12.220 -1.703 1.00 0.00 H new ATOM 0 HA VAL A 95 -3.805 -9.962 -1.603 1.00 0.00 H new ATOM 0 HB VAL A 95 -4.610 -10.936 0.403 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.933 -13.155 1.216 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.848 -13.247 -0.307 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.080 -13.448 -0.318 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.541 -11.214 1.721 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.615 -11.387 0.211 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -2.431 -9.850 0.582 1.00 0.00 H new ATOM 1316 N SER A 96 -1.718 -10.516 -2.812 1.00 0.00 N ATOM 1317 CA SER A 96 -0.442 -10.779 -3.442 1.00 0.00 C ATOM 1318 C SER A 96 0.596 -11.089 -2.375 1.00 0.00 C ATOM 1319 O SER A 96 1.000 -10.212 -1.609 1.00 0.00 O ATOM 1320 CB SER A 96 -0.009 -9.581 -4.293 1.00 0.00 C ATOM 1321 OG SER A 96 1.141 -9.877 -5.068 1.00 0.00 O ATOM 0 H SER A 96 -2.044 -9.554 -2.903 1.00 0.00 H new ATOM 0 HA SER A 96 -0.537 -11.641 -4.102 1.00 0.00 H new ATOM 0 HB2 SER A 96 -0.826 -9.288 -4.952 1.00 0.00 H new ATOM 0 HB3 SER A 96 0.198 -8.730 -3.644 1.00 0.00 H new ATOM 0 HG SER A 96 1.388 -9.092 -5.600 1.00 0.00 H new ATOM 1327 N SER A 97 0.989 -12.348 -2.305 1.00 0.00 N ATOM 1328 CA SER A 97 1.960 -12.794 -1.326 1.00 0.00 C ATOM 1329 C SER A 97 3.367 -12.556 -1.848 1.00 0.00 C ATOM 1330 O SER A 97 3.927 -13.376 -2.579 1.00 0.00 O ATOM 1331 CB SER A 97 1.732 -14.267 -0.996 1.00 0.00 C ATOM 1332 OG SER A 97 1.287 -14.979 -2.142 1.00 0.00 O ATOM 0 H SER A 97 0.646 -13.085 -2.921 1.00 0.00 H new ATOM 0 HA SER A 97 1.838 -12.221 -0.407 1.00 0.00 H new ATOM 0 HB2 SER A 97 2.657 -14.708 -0.625 1.00 0.00 H new ATOM 0 HB3 SER A 97 0.994 -14.355 -0.198 1.00 0.00 H new ATOM 0 HG SER A 97 1.149 -15.921 -1.909 1.00 0.00 H new ATOM 1338 N ARG A 98 3.926 -11.419 -1.483 1.00 0.00 N ATOM 1339 CA ARG A 98 5.180 -10.976 -2.052 1.00 0.00 C ATOM 1340 C ARG A 98 6.119 -10.470 -0.964 1.00 0.00 C ATOM 1341 O ARG A 98 5.687 -9.837 0.001 1.00 0.00 O ATOM 1342 CB ARG A 98 4.903 -9.876 -3.079 1.00 0.00 C ATOM 1343 CG ARG A 98 6.124 -9.453 -3.863 1.00 0.00 C ATOM 1344 CD ARG A 98 5.790 -8.349 -4.850 1.00 0.00 C ATOM 1345 NE ARG A 98 6.988 -7.754 -5.442 1.00 0.00 N ATOM 1346 CZ ARG A 98 7.057 -7.315 -6.700 1.00 0.00 C ATOM 1347 NH1 ARG A 98 6.024 -7.469 -7.520 1.00 0.00 N ATOM 1348 NH2 ARG A 98 8.165 -6.727 -7.136 1.00 0.00 N ATOM 0 H ARG A 98 3.528 -10.784 -0.791 1.00 0.00 H new ATOM 0 HA ARG A 98 5.668 -11.817 -2.545 1.00 0.00 H new ATOM 0 HB2 ARG A 98 4.139 -10.225 -3.774 1.00 0.00 H new ATOM 0 HB3 ARG A 98 4.493 -9.006 -2.565 1.00 0.00 H new ATOM 0 HG2 ARG A 98 6.898 -9.109 -3.177 1.00 0.00 H new ATOM 0 HG3 ARG A 98 6.531 -10.311 -4.398 1.00 0.00 H new ATOM 0 HD2 ARG A 98 5.157 -8.751 -5.641 1.00 0.00 H new ATOM 0 HD3 ARG A 98 5.214 -7.574 -4.344 1.00 0.00 H new ATOM 0 HE ARG A 98 7.820 -7.670 -4.858 1.00 0.00 H new ATOM 0 HH11 ARG A 98 5.173 -7.924 -7.189 1.00 0.00 H new ATOM 0 HH12 ARG A 98 6.081 -7.132 -8.481 1.00 0.00 H new ATOM 0 HH21 ARG A 98 8.962 -6.612 -6.509 1.00 0.00 H new ATOM 0 HH22 ARG A 98 8.219 -6.391 -8.097 1.00 0.00 H new ATOM 1362 N THR A 99 7.400 -10.757 -1.121 1.00 0.00 N ATOM 1363 CA THR A 99 8.410 -10.301 -0.188 1.00 0.00 C ATOM 1364 C THR A 99 9.425 -9.421 -0.914 1.00 0.00 C ATOM 1365 O THR A 99 10.134 -9.883 -1.810 1.00 0.00 O ATOM 1366 CB THR A 99 9.135 -11.493 0.465 1.00 0.00 C ATOM 1367 OG1 THR A 99 8.176 -12.449 0.943 1.00 0.00 O ATOM 1368 CG2 THR A 99 10.013 -11.035 1.621 1.00 0.00 C ATOM 0 H THR A 99 7.766 -11.310 -1.896 1.00 0.00 H new ATOM 0 HA THR A 99 7.917 -9.725 0.595 1.00 0.00 H new ATOM 0 HB THR A 99 9.770 -11.955 -0.291 1.00 0.00 H new ATOM 0 HG1 THR A 99 8.645 -13.205 1.355 1.00 0.00 H new ATOM 0 HG21 THR A 99 10.512 -11.897 2.063 1.00 0.00 H new ATOM 0 HG22 THR A 99 10.760 -10.332 1.254 1.00 0.00 H new ATOM 0 HG23 THR A 99 9.396 -10.547 2.376 1.00 0.00 H new ATOM 1376 N ILE A 100 9.477 -8.153 -0.538 1.00 0.00 N ATOM 1377 CA ILE A 100 10.362 -7.199 -1.192 1.00 0.00 C ATOM 1378 C ILE A 100 11.760 -7.275 -0.596 1.00 0.00 C ATOM 1379 O ILE A 100 11.930 -7.087 0.609 1.00 0.00 O ATOM 1380 CB ILE A 100 9.852 -5.748 -1.045 1.00 0.00 C ATOM 1381 CG1 ILE A 100 8.401 -5.613 -1.511 1.00 0.00 C ATOM 1382 CG2 ILE A 100 10.740 -4.794 -1.826 1.00 0.00 C ATOM 1383 CD1 ILE A 100 8.199 -5.916 -2.978 1.00 0.00 C ATOM 0 H ILE A 100 8.916 -7.759 0.218 1.00 0.00 H new ATOM 0 HA ILE A 100 10.383 -7.464 -2.249 1.00 0.00 H new ATOM 0 HB ILE A 100 9.891 -5.490 0.013 1.00 0.00 H new ATOM 0 HG12 ILE A 100 7.776 -6.284 -0.922 1.00 0.00 H new ATOM 0 HG13 ILE A 100 8.057 -4.599 -1.309 1.00 0.00 H new ATOM 0 HG21 ILE A 100 10.368 -3.776 -1.713 1.00 0.00 H new ATOM 0 HG22 ILE A 100 11.760 -4.852 -1.446 1.00 0.00 H new ATOM 0 HG23 ILE A 100 10.730 -5.069 -2.881 1.00 0.00 H new ATOM 0 HD11 ILE A 100 7.146 -5.799 -3.232 1.00 0.00 H new ATOM 0 HD12 ILE A 100 8.796 -5.228 -3.577 1.00 0.00 H new ATOM 0 HD13 ILE A 100 8.510 -6.940 -3.184 1.00 0.00 H new ATOM 1395 N SER A 101 12.751 -7.555 -1.429 1.00 0.00 N ATOM 1396 CA SER A 101 14.134 -7.540 -0.987 1.00 0.00 C ATOM 1397 C SER A 101 14.564 -6.100 -0.717 1.00 0.00 C ATOM 1398 O SER A 101 14.045 -5.173 -1.338 1.00 0.00 O ATOM 1399 CB SER A 101 15.038 -8.179 -2.043 1.00 0.00 C ATOM 1400 OG SER A 101 16.371 -8.312 -1.570 1.00 0.00 O ATOM 0 H SER A 101 12.622 -7.795 -2.412 1.00 0.00 H new ATOM 0 HA SER A 101 14.224 -8.119 -0.068 1.00 0.00 H new ATOM 0 HB2 SER A 101 14.647 -9.159 -2.314 1.00 0.00 H new ATOM 0 HB3 SER A 101 15.030 -7.571 -2.948 1.00 0.00 H new ATOM 0 HG SER A 101 16.925 -8.725 -2.265 1.00 0.00 H new ATOM 1406 N ALA A 102 15.502 -5.919 0.211 1.00 0.00 N ATOM 1407 CA ALA A 102 15.969 -4.589 0.608 1.00 0.00 C ATOM 1408 C ALA A 102 16.353 -3.717 -0.594 1.00 0.00 C ATOM 1409 O ALA A 102 16.012 -2.534 -0.644 1.00 0.00 O ATOM 1410 CB ALA A 102 17.149 -4.716 1.558 1.00 0.00 C ATOM 0 H ALA A 102 15.958 -6.684 0.707 1.00 0.00 H new ATOM 0 HA ALA A 102 15.139 -4.093 1.112 1.00 0.00 H new ATOM 0 HB1 ALA A 102 17.491 -3.723 1.849 1.00 0.00 H new ATOM 0 HB2 ALA A 102 16.843 -5.269 2.446 1.00 0.00 H new ATOM 0 HB3 ALA A 102 17.960 -5.248 1.061 1.00 0.00 H new ATOM 1416 N SER A 103 17.044 -4.310 -1.560 1.00 0.00 N ATOM 1417 CA SER A 103 17.502 -3.584 -2.740 1.00 0.00 C ATOM 1418 C SER A 103 16.327 -3.007 -3.528 1.00 0.00 C ATOM 1419 O SER A 103 16.312 -1.821 -3.864 1.00 0.00 O ATOM 1420 CB SER A 103 18.326 -4.522 -3.616 1.00 0.00 C ATOM 1421 OG SER A 103 17.721 -5.804 -3.681 1.00 0.00 O ATOM 0 H SER A 103 17.301 -5.297 -1.550 1.00 0.00 H new ATOM 0 HA SER A 103 18.121 -2.746 -2.419 1.00 0.00 H new ATOM 0 HB2 SER A 103 18.417 -4.105 -4.619 1.00 0.00 H new ATOM 0 HB3 SER A 103 19.336 -4.610 -3.215 1.00 0.00 H new ATOM 0 HG SER A 103 18.262 -6.392 -4.248 1.00 0.00 H new ATOM 1427 N GLU A 104 15.348 -3.857 -3.810 1.00 0.00 N ATOM 1428 CA GLU A 104 14.132 -3.447 -4.504 1.00 0.00 C ATOM 1429 C GLU A 104 13.341 -2.477 -3.632 1.00 0.00 C ATOM 1430 O GLU A 104 12.785 -1.495 -4.115 1.00 0.00 O ATOM 1431 CB GLU A 104 13.293 -4.686 -4.832 1.00 0.00 C ATOM 1432 CG GLU A 104 12.201 -4.444 -5.859 1.00 0.00 C ATOM 1433 CD GLU A 104 11.340 -5.668 -6.094 1.00 0.00 C ATOM 1434 OE1 GLU A 104 11.820 -6.624 -6.736 1.00 0.00 O ATOM 1435 OE2 GLU A 104 10.168 -5.677 -5.657 1.00 0.00 O ATOM 0 H GLU A 104 15.373 -4.847 -3.565 1.00 0.00 H new ATOM 0 HA GLU A 104 14.392 -2.941 -5.434 1.00 0.00 H new ATOM 0 HB2 GLU A 104 13.954 -5.472 -5.199 1.00 0.00 H new ATOM 0 HB3 GLU A 104 12.837 -5.056 -3.914 1.00 0.00 H new ATOM 0 HG2 GLU A 104 11.571 -3.620 -5.526 1.00 0.00 H new ATOM 0 HG3 GLU A 104 12.655 -4.138 -6.801 1.00 0.00 H new ATOM 1442 N ALA A 105 13.326 -2.748 -2.333 1.00 0.00 N ATOM 1443 CA ALA A 105 12.642 -1.893 -1.369 1.00 0.00 C ATOM 1444 C ALA A 105 13.203 -0.478 -1.399 1.00 0.00 C ATOM 1445 O ALA A 105 12.500 0.486 -1.097 1.00 0.00 O ATOM 1446 CB ALA A 105 12.771 -2.480 0.027 1.00 0.00 C ATOM 0 H ALA A 105 13.784 -3.560 -1.919 1.00 0.00 H new ATOM 0 HA ALA A 105 11.588 -1.844 -1.641 1.00 0.00 H new ATOM 0 HB1 ALA A 105 12.258 -1.836 0.741 1.00 0.00 H new ATOM 0 HB2 ALA A 105 12.323 -3.473 0.047 1.00 0.00 H new ATOM 0 HB3 ALA A 105 13.825 -2.552 0.295 1.00 0.00 H new ATOM 1452 N GLY A 106 14.467 -0.370 -1.779 1.00 0.00 N ATOM 1453 CA GLY A 106 15.141 0.912 -1.813 1.00 0.00 C ATOM 1454 C GLY A 106 14.539 1.918 -2.785 1.00 0.00 C ATOM 1455 O GLY A 106 14.724 3.121 -2.607 1.00 0.00 O ATOM 0 H GLY A 106 15.045 -1.159 -2.068 1.00 0.00 H new ATOM 0 HA2 GLY A 106 15.128 1.342 -0.811 1.00 0.00 H new ATOM 0 HA3 GLY A 106 16.186 0.752 -2.077 1.00 0.00 H new ATOM 1459 N ASN A 107 13.834 1.461 -3.821 1.00 0.00 N ATOM 1460 CA ASN A 107 13.281 2.401 -4.801 1.00 0.00 C ATOM 1461 C ASN A 107 11.846 2.779 -4.477 1.00 0.00 C ATOM 1462 O ASN A 107 11.325 3.758 -5.013 1.00 0.00 O ATOM 1463 CB ASN A 107 13.347 1.868 -6.244 1.00 0.00 C ATOM 1464 CG ASN A 107 12.448 0.669 -6.521 1.00 0.00 C ATOM 1465 OD1 ASN A 107 12.916 -0.466 -6.562 1.00 0.00 O ATOM 1466 ND2 ASN A 107 11.153 0.909 -6.717 1.00 0.00 N ATOM 0 H ASN A 107 13.636 0.477 -4.002 1.00 0.00 H new ATOM 0 HA ASN A 107 13.911 3.288 -4.734 1.00 0.00 H new ATOM 0 HB2 ASN A 107 13.077 2.673 -6.927 1.00 0.00 H new ATOM 0 HB3 ASN A 107 14.377 1.592 -6.468 1.00 0.00 H new ATOM 0 HD21 ASN A 107 10.515 0.137 -6.909 1.00 0.00 H new ATOM 0 HD22 ASN A 107 10.799 1.865 -6.675 1.00 0.00 H new ATOM 1473 N TYR A 108 11.201 2.015 -3.613 1.00 0.00 N ATOM 1474 CA TYR A 108 9.796 2.217 -3.350 1.00 0.00 C ATOM 1475 C TYR A 108 9.564 3.348 -2.352 1.00 0.00 C ATOM 1476 O TYR A 108 10.501 3.829 -1.715 1.00 0.00 O ATOM 1477 CB TYR A 108 9.197 0.930 -2.835 1.00 0.00 C ATOM 1478 CG TYR A 108 9.238 -0.209 -3.826 1.00 0.00 C ATOM 1479 CD1 TYR A 108 8.715 -0.065 -5.101 1.00 0.00 C ATOM 1480 CD2 TYR A 108 9.777 -1.436 -3.476 1.00 0.00 C ATOM 1481 CE1 TYR A 108 8.733 -1.109 -6.000 1.00 0.00 C ATOM 1482 CE2 TYR A 108 9.794 -2.486 -4.369 1.00 0.00 C ATOM 1483 CZ TYR A 108 9.272 -2.316 -5.632 1.00 0.00 C ATOM 1484 OH TYR A 108 9.278 -3.359 -6.525 1.00 0.00 O ATOM 0 H TYR A 108 11.629 1.254 -3.086 1.00 0.00 H new ATOM 0 HA TYR A 108 9.309 2.505 -4.282 1.00 0.00 H new ATOM 0 HB2 TYR A 108 9.728 0.631 -1.931 1.00 0.00 H new ATOM 0 HB3 TYR A 108 8.161 1.112 -2.550 1.00 0.00 H new ATOM 0 HD1 TYR A 108 8.286 0.882 -5.395 1.00 0.00 H new ATOM 0 HD2 TYR A 108 10.191 -1.572 -2.488 1.00 0.00 H new ATOM 0 HE1 TYR A 108 8.324 -0.978 -6.991 1.00 0.00 H new ATOM 0 HE2 TYR A 108 10.215 -3.438 -4.079 1.00 0.00 H new ATOM 0 HH TYR A 108 9.331 -4.207 -6.037 1.00 0.00 H new ATOM 1494 N ASN A 109 8.309 3.764 -2.217 1.00 0.00 N ATOM 1495 CA ASN A 109 7.970 4.897 -1.363 1.00 0.00 C ATOM 1496 C ASN A 109 7.011 4.502 -0.242 1.00 0.00 C ATOM 1497 O ASN A 109 5.887 4.069 -0.490 1.00 0.00 O ATOM 1498 CB ASN A 109 7.345 6.031 -2.186 1.00 0.00 C ATOM 1499 CG ASN A 109 8.284 6.608 -3.232 1.00 0.00 C ATOM 1500 OD1 ASN A 109 9.503 6.639 -3.052 1.00 0.00 O ATOM 1501 ND2 ASN A 109 7.717 7.073 -4.334 1.00 0.00 N ATOM 0 H ASN A 109 7.512 3.335 -2.687 1.00 0.00 H new ATOM 0 HA ASN A 109 8.901 5.241 -0.913 1.00 0.00 H new ATOM 0 HB2 ASN A 109 6.448 5.659 -2.680 1.00 0.00 H new ATOM 0 HB3 ASN A 109 7.030 6.828 -1.512 1.00 0.00 H new ATOM 0 HD21 ASN A 109 8.293 7.476 -5.073 1.00 0.00 H new ATOM 0 HD22 ASN A 109 6.704 7.029 -4.444 1.00 0.00 H new ATOM 1508 N TYR A 110 7.486 4.638 0.987 1.00 0.00 N ATOM 1509 CA TYR A 110 6.650 4.557 2.177 1.00 0.00 C ATOM 1510 C TYR A 110 6.294 5.976 2.562 1.00 0.00 C ATOM 1511 O TYR A 110 7.179 6.822 2.736 1.00 0.00 O ATOM 1512 CB TYR A 110 7.440 3.811 3.281 1.00 0.00 C ATOM 1513 CG TYR A 110 6.994 3.923 4.744 1.00 0.00 C ATOM 1514 CD1 TYR A 110 6.158 4.930 5.216 1.00 0.00 C ATOM 1515 CD2 TYR A 110 7.484 3.010 5.673 1.00 0.00 C ATOM 1516 CE1 TYR A 110 5.822 5.023 6.551 1.00 0.00 C ATOM 1517 CE2 TYR A 110 7.146 3.091 7.010 1.00 0.00 C ATOM 1518 CZ TYR A 110 6.317 4.099 7.444 1.00 0.00 C ATOM 1519 OH TYR A 110 5.989 4.186 8.775 1.00 0.00 O ATOM 0 H TYR A 110 8.471 4.809 1.189 1.00 0.00 H new ATOM 0 HA TYR A 110 5.727 4.000 2.014 1.00 0.00 H new ATOM 0 HB2 TYR A 110 7.441 2.752 3.021 1.00 0.00 H new ATOM 0 HB3 TYR A 110 8.474 4.153 3.229 1.00 0.00 H new ATOM 0 HD1 TYR A 110 5.763 5.656 4.521 1.00 0.00 H new ATOM 0 HD2 TYR A 110 8.143 2.221 5.342 1.00 0.00 H new ATOM 0 HE1 TYR A 110 5.174 5.816 6.894 1.00 0.00 H new ATOM 0 HE2 TYR A 110 7.531 2.366 7.712 1.00 0.00 H new ATOM 0 HH TYR A 110 6.421 3.457 9.267 1.00 0.00 H new ATOM 1529 N ILE A 111 5.008 6.242 2.678 1.00 0.00 N ATOM 1530 CA ILE A 111 4.553 7.587 2.948 1.00 0.00 C ATOM 1531 C ILE A 111 4.388 7.807 4.451 1.00 0.00 C ATOM 1532 O ILE A 111 3.510 7.232 5.092 1.00 0.00 O ATOM 1533 CB ILE A 111 3.251 7.901 2.173 1.00 0.00 C ATOM 1534 CG1 ILE A 111 2.168 6.852 2.434 1.00 0.00 C ATOM 1535 CG2 ILE A 111 3.557 7.960 0.685 1.00 0.00 C ATOM 1536 CD1 ILE A 111 0.835 7.164 1.765 1.00 0.00 C ATOM 0 H ILE A 111 4.266 5.548 2.590 1.00 0.00 H new ATOM 0 HA ILE A 111 5.312 8.285 2.594 1.00 0.00 H new ATOM 0 HB ILE A 111 2.872 8.862 2.521 1.00 0.00 H new ATOM 0 HG12 ILE A 111 2.522 5.883 2.083 1.00 0.00 H new ATOM 0 HG13 ILE A 111 2.012 6.764 3.509 1.00 0.00 H new ATOM 0 HG21 ILE A 111 2.643 8.181 0.134 1.00 0.00 H new ATOM 0 HG22 ILE A 111 4.293 8.742 0.496 1.00 0.00 H new ATOM 0 HG23 ILE A 111 3.955 7.000 0.357 1.00 0.00 H new ATOM 0 HD11 ILE A 111 0.119 6.376 1.996 1.00 0.00 H new ATOM 0 HD12 ILE A 111 0.457 8.117 2.134 1.00 0.00 H new ATOM 0 HD13 ILE A 111 0.975 7.223 0.686 1.00 0.00 H new ATOM 1548 N HIS A 112 5.286 8.618 5.001 1.00 0.00 N ATOM 1549 CA HIS A 112 5.316 8.909 6.430 1.00 0.00 C ATOM 1550 C HIS A 112 4.153 9.786 6.858 1.00 0.00 C ATOM 1551 O HIS A 112 3.740 10.686 6.129 1.00 0.00 O ATOM 1552 CB HIS A 112 6.622 9.615 6.793 1.00 0.00 C ATOM 1553 CG HIS A 112 7.596 8.769 7.543 1.00 0.00 C ATOM 1554 ND1 HIS A 112 7.823 8.920 8.888 1.00 0.00 N ATOM 1555 CD2 HIS A 112 8.426 7.781 7.129 1.00 0.00 C ATOM 1556 CE1 HIS A 112 8.744 8.066 9.277 1.00 0.00 C ATOM 1557 NE2 HIS A 112 9.132 7.361 8.233 1.00 0.00 N ATOM 0 H HIS A 112 6.014 9.093 4.468 1.00 0.00 H new ATOM 0 HA HIS A 112 5.239 7.955 6.952 1.00 0.00 H new ATOM 0 HB2 HIS A 112 7.096 9.967 5.877 1.00 0.00 H new ATOM 0 HB3 HIS A 112 6.390 10.496 7.391 1.00 0.00 H new ATOM 0 HD2 HIS A 112 8.516 7.396 6.124 1.00 0.00 H new ATOM 0 HE1 HIS A 112 9.120 7.960 10.284 1.00 0.00 H new ATOM 0 HE2 HIS A 112 9.839 6.626 8.242 1.00 0.00 H new ATOM 1566 N ILE A 113 3.650 9.522 8.048 1.00 0.00 N ATOM 1567 CA ILE A 113 2.589 10.323 8.631 1.00 0.00 C ATOM 1568 C ILE A 113 3.194 11.502 9.386 1.00 0.00 C ATOM 1569 O ILE A 113 3.113 12.641 8.885 1.00 0.00 O ATOM 1570 CB ILE A 113 1.716 9.491 9.595 1.00 0.00 C ATOM 1571 CG1 ILE A 113 1.239 8.207 8.910 1.00 0.00 C ATOM 1572 CG2 ILE A 113 0.521 10.310 10.068 1.00 0.00 C ATOM 1573 CD1 ILE A 113 0.467 7.277 9.823 1.00 0.00 C ATOM 1574 OXT ILE A 113 3.774 11.275 10.470 1.00 0.00 O ATOM 0 H ILE A 113 3.963 8.750 8.637 1.00 0.00 H new ATOM 0 HA ILE A 113 1.954 10.682 7.821 1.00 0.00 H new ATOM 0 HB ILE A 113 2.319 9.220 10.461 1.00 0.00 H new ATOM 0 HG12 ILE A 113 0.610 8.472 8.060 1.00 0.00 H new ATOM 0 HG13 ILE A 113 2.104 7.676 8.513 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -0.085 9.710 10.747 1.00 0.00 H new ATOM 0 HG22 ILE A 113 0.873 11.201 10.587 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -0.081 10.605 9.209 1.00 0.00 H new ATOM 0 HD11 ILE A 113 0.163 6.390 9.266 1.00 0.00 H new ATOM 0 HD12 ILE A 113 1.100 6.981 10.660 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -0.418 7.790 10.201 1.00 0.00 H new TER 1586 ILE A 113