USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 678 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 83 CYS SG : rot -172:sc= -0.333 USER MOD Set 1.2: A 86 HIS : no HD1:sc= 0 X(o=-0.33,f=-0.34) USER MOD Set 2.1: A 80 THR OG1 : rot 97:sc= 1.97 USER MOD Set 2.2: A 94 LYS NZ :NH3+ 163:sc= 1.38 (180deg=-0.16) USER MOD Set 3.1: A 55 LYS NZ :NH3+ 163:sc= 2.35 (180deg=1.02) USER MOD Set 3.2: A 58 HIS : no HE2:sc= 2.03 K(o=5.6,f=-11!) USER MOD Set 3.3: A 82 TYR OH : rot 151:sc= 1.23 USER MOD Set 4.1: A 33 ASN : amide:sc= -11.3! C(o=-17!,f=-16!) USER MOD Set 4.2: A 37 SER OG : rot 180:sc= -0.0882 USER MOD Set 4.3: A 39 HIS : no HE2:sc= -5.21! C(o=-17!,f=-18!) USER MOD Set 5.1: A 2 ASN : amide:sc= 1.51 K(o=3.4,f=-12!) USER MOD Set 5.2: A 30 LYS NZ :NH3+ -178:sc= 1.93 (180deg=0.62) USER MOD Single : A 1 ALA N :NH3+ 151:sc= 1.22 (180deg=-0.162) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.343 USER MOD Single : A 6 LYS NZ :NH3+ -162:sc= 2.19 (180deg=1.71) USER MOD Single : A 7 MET CE :methyl -174:sc= -0.0472 (180deg=-0.0808) USER MOD Single : A 9 SER OG : rot 59:sc= 1.18 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot -62:sc= 1.25 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -134:sc= 0.977 (180deg=-0.32) USER MOD Single : A 34 ASN : amide:sc= 0.25 X(o=0.25,f=0) USER MOD Single : A 35 LYS NZ :NH3+ -167:sc= 1.65 (180deg=1.14) USER MOD Single : A 40 ASN : amide:sc= 2.08 K(o=2.1,f=-5.8!) USER MOD Single : A 52 THR OG1 : rot -23:sc= 0.665 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 169:sc= 1.04 (180deg=0.775) USER MOD Single : A 68 SER OG : rot -55:sc= 0.733 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -10:sc= 1.8 USER MOD Single : A 72 THR OG1 : rot 8:sc= -0.046 USER MOD Single : A 74 THR OG1 : rot -54:sc= 1.13 USER MOD Single : A 78 THR OG1 : rot 28:sc= 0.657 USER MOD Single : A 79 TYR OH : rot -116:sc= -0.461 USER MOD Single : A 81 TYR OH : rot 47:sc= 0.343 USER MOD Single : A 91 MET CE :methyl 175:sc= 0 (180deg=-0.00591) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 2.754 -1.149 -15.936 1.00 0.00 N ATOM 2 CA ALA A 1 2.951 -2.603 -16.041 1.00 0.00 C ATOM 3 C ALA A 1 3.482 -3.190 -14.735 1.00 0.00 C ATOM 4 O ALA A 1 4.415 -2.611 -14.193 1.00 0.00 O ATOM 5 CB ALA A 1 3.904 -2.931 -17.197 1.00 0.00 C ATOM 0 H1 ALA A 1 2.878 -0.713 -16.872 1.00 0.00 H new ATOM 0 H2 ALA A 1 1.794 -0.953 -15.587 1.00 0.00 H new ATOM 0 H3 ALA A 1 3.451 -0.751 -15.274 1.00 0.00 H new ATOM 0 HA ALA A 1 1.980 -3.056 -16.242 1.00 0.00 H new ATOM 0 HB1 ALA A 1 4.040 -4.011 -17.262 1.00 0.00 H new ATOM 0 HB2 ALA A 1 3.483 -2.562 -18.132 1.00 0.00 H new ATOM 0 HB3 ALA A 1 4.868 -2.454 -17.020 1.00 0.00 H new ATOM 13 N ASN A 2 2.838 -4.249 -14.220 1.00 0.00 N ATOM 14 CA ASN A 2 3.151 -5.054 -13.017 1.00 0.00 C ATOM 15 C ASN A 2 4.062 -4.399 -11.940 1.00 0.00 C ATOM 16 O ASN A 2 5.287 -4.462 -12.061 1.00 0.00 O ATOM 17 CB ASN A 2 3.796 -6.361 -13.553 1.00 0.00 C ATOM 18 CG ASN A 2 3.599 -7.540 -12.624 1.00 0.00 C ATOM 19 OD1 ASN A 2 4.414 -7.913 -11.788 1.00 0.00 O ATOM 20 ND2 ASN A 2 2.423 -8.108 -12.734 1.00 0.00 N ATOM 0 H ASN A 2 1.999 -4.603 -14.679 1.00 0.00 H new ATOM 0 HA ASN A 2 2.220 -5.199 -12.469 1.00 0.00 H new ATOM 0 HB2 ASN A 2 3.369 -6.598 -14.528 1.00 0.00 H new ATOM 0 HB3 ASN A 2 4.863 -6.198 -13.704 1.00 0.00 H new ATOM 0 HD21 ASN A 2 2.169 -8.878 -12.116 1.00 0.00 H new ATOM 0 HD22 ASN A 2 1.762 -7.780 -13.438 1.00 0.00 H new ATOM 27 N ALA A 3 3.512 -3.842 -10.847 1.00 0.00 N ATOM 28 CA ALA A 3 4.310 -3.169 -9.820 1.00 0.00 C ATOM 29 C ALA A 3 4.575 -3.995 -8.542 1.00 0.00 C ATOM 30 O ALA A 3 3.927 -5.009 -8.263 1.00 0.00 O ATOM 31 CB ALA A 3 3.682 -1.805 -9.515 1.00 0.00 C ATOM 0 H ALA A 3 2.510 -3.848 -10.656 1.00 0.00 H new ATOM 0 HA ALA A 3 5.309 -3.036 -10.235 1.00 0.00 H new ATOM 0 HB1 ALA A 3 4.270 -1.296 -8.751 1.00 0.00 H new ATOM 0 HB2 ALA A 3 3.666 -1.201 -10.422 1.00 0.00 H new ATOM 0 HB3 ALA A 3 2.663 -1.946 -9.155 1.00 0.00 H new ATOM 37 N THR A 4 5.548 -3.502 -7.763 1.00 0.00 N ATOM 38 CA THR A 4 6.074 -4.049 -6.525 1.00 0.00 C ATOM 39 C THR A 4 6.415 -2.850 -5.647 1.00 0.00 C ATOM 40 O THR A 4 6.843 -1.820 -6.166 1.00 0.00 O ATOM 41 CB THR A 4 7.330 -4.903 -6.792 1.00 0.00 C ATOM 42 OG1 THR A 4 7.066 -5.892 -7.765 1.00 0.00 O ATOM 43 CG2 THR A 4 7.820 -5.632 -5.540 1.00 0.00 C ATOM 0 H THR A 4 6.022 -2.634 -8.014 1.00 0.00 H new ATOM 0 HA THR A 4 5.348 -4.703 -6.042 1.00 0.00 H new ATOM 0 HB THR A 4 8.094 -4.204 -7.132 1.00 0.00 H new ATOM 0 HG1 THR A 4 7.876 -6.422 -7.921 1.00 0.00 H new ATOM 0 HG21 THR A 4 8.706 -6.218 -5.784 1.00 0.00 H new ATOM 0 HG22 THR A 4 8.068 -4.903 -4.768 1.00 0.00 H new ATOM 0 HG23 THR A 4 7.036 -6.295 -5.174 1.00 0.00 H new ATOM 51 N VAL A 5 6.223 -2.965 -4.334 1.00 0.00 N ATOM 52 CA VAL A 5 6.535 -1.900 -3.383 1.00 0.00 C ATOM 53 C VAL A 5 6.922 -2.455 -2.015 1.00 0.00 C ATOM 54 O VAL A 5 6.533 -3.549 -1.610 1.00 0.00 O ATOM 55 CB VAL A 5 5.381 -0.846 -3.344 1.00 0.00 C ATOM 56 CG1 VAL A 5 4.024 -1.296 -3.929 1.00 0.00 C ATOM 57 CG2 VAL A 5 5.212 -0.108 -2.009 1.00 0.00 C ATOM 0 H VAL A 5 5.844 -3.805 -3.897 1.00 0.00 H new ATOM 0 HA VAL A 5 7.422 -1.368 -3.727 1.00 0.00 H new ATOM 0 HB VAL A 5 5.761 -0.110 -4.052 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.304 -0.482 -3.846 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.151 -1.563 -4.978 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.658 -2.161 -3.376 1.00 0.00 H new ATOM 0 HG21 VAL A 5 4.387 0.600 -2.086 1.00 0.00 H new ATOM 0 HG22 VAL A 5 4.999 -0.829 -1.219 1.00 0.00 H new ATOM 0 HG23 VAL A 5 6.130 0.430 -1.772 1.00 0.00 H new ATOM 67 N LYS A 6 7.742 -1.694 -1.291 1.00 0.00 N ATOM 68 CA LYS A 6 8.248 -2.103 0.028 1.00 0.00 C ATOM 69 C LYS A 6 7.700 -1.176 1.099 1.00 0.00 C ATOM 70 O LYS A 6 7.921 0.025 1.008 1.00 0.00 O ATOM 71 CB LYS A 6 9.791 -2.092 0.043 1.00 0.00 C ATOM 72 CG LYS A 6 10.451 -2.913 -1.077 1.00 0.00 C ATOM 73 CD LYS A 6 11.894 -2.488 -1.373 1.00 0.00 C ATOM 74 CE LYS A 6 12.883 -2.605 -0.209 1.00 0.00 C ATOM 75 NZ LYS A 6 14.006 -1.673 -0.441 1.00 0.00 N ATOM 0 H LYS A 6 8.076 -0.780 -1.596 1.00 0.00 H new ATOM 0 HA LYS A 6 7.913 -3.120 0.234 1.00 0.00 H new ATOM 0 HB2 LYS A 6 10.134 -1.060 -0.031 1.00 0.00 H new ATOM 0 HB3 LYS A 6 10.134 -2.473 1.005 1.00 0.00 H new ATOM 0 HG2 LYS A 6 10.440 -3.967 -0.800 1.00 0.00 H new ATOM 0 HG3 LYS A 6 9.858 -2.816 -1.986 1.00 0.00 H new ATOM 0 HD2 LYS A 6 12.266 -3.091 -2.201 1.00 0.00 H new ATOM 0 HD3 LYS A 6 11.884 -1.452 -1.712 1.00 0.00 H new ATOM 0 HE2 LYS A 6 12.387 -2.370 0.733 1.00 0.00 H new ATOM 0 HE3 LYS A 6 13.252 -3.628 -0.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 14.814 -1.947 0.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 14.286 -1.709 -1.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 13.710 -0.706 -0.199 1.00 0.00 H new ATOM 89 N MET A 7 6.936 -1.713 2.046 1.00 0.00 N ATOM 90 CA MET A 7 6.371 -0.986 3.187 1.00 0.00 C ATOM 91 C MET A 7 7.521 -0.878 4.203 1.00 0.00 C ATOM 92 O MET A 7 8.016 -1.908 4.665 1.00 0.00 O ATOM 93 CB MET A 7 5.169 -1.754 3.746 1.00 0.00 C ATOM 94 CG MET A 7 4.030 -1.986 2.755 1.00 0.00 C ATOM 95 SD MET A 7 2.567 -2.705 3.552 1.00 0.00 S ATOM 96 CE MET A 7 3.137 -4.390 3.877 1.00 0.00 C ATOM 0 H MET A 7 6.682 -2.701 2.043 1.00 0.00 H new ATOM 0 HA MET A 7 5.999 0.004 2.923 1.00 0.00 H new ATOM 0 HB2 MET A 7 5.514 -2.721 4.112 1.00 0.00 H new ATOM 0 HB3 MET A 7 4.777 -1.209 4.605 1.00 0.00 H new ATOM 0 HG2 MET A 7 3.759 -1.040 2.287 1.00 0.00 H new ATOM 0 HG3 MET A 7 4.371 -2.649 1.960 1.00 0.00 H new ATOM 0 HE1 MET A 7 2.311 -4.985 4.268 1.00 0.00 H new ATOM 0 HE2 MET A 7 3.499 -4.836 2.951 1.00 0.00 H new ATOM 0 HE3 MET A 7 3.945 -4.366 4.609 1.00 0.00 H new ATOM 106 N GLY A 8 7.924 0.351 4.566 1.00 0.00 N ATOM 107 CA GLY A 8 9.042 0.616 5.482 1.00 0.00 C ATOM 108 C GLY A 8 10.287 0.833 4.625 1.00 0.00 C ATOM 109 O GLY A 8 10.919 -0.143 4.203 1.00 0.00 O ATOM 0 H GLY A 8 7.474 1.200 4.225 1.00 0.00 H new ATOM 0 HA2 GLY A 8 8.838 1.495 6.094 1.00 0.00 H new ATOM 0 HA3 GLY A 8 9.186 -0.221 6.165 1.00 0.00 H new ATOM 113 N SER A 9 10.618 2.096 4.341 1.00 0.00 N ATOM 114 CA SER A 9 11.758 2.434 3.494 1.00 0.00 C ATOM 115 C SER A 9 13.057 1.851 4.050 1.00 0.00 C ATOM 116 O SER A 9 13.207 1.723 5.272 1.00 0.00 O ATOM 117 CB SER A 9 11.834 3.943 3.291 1.00 0.00 C ATOM 118 OG SER A 9 12.849 4.288 2.373 1.00 0.00 O ATOM 0 H SER A 9 10.105 2.906 4.691 1.00 0.00 H new ATOM 0 HA SER A 9 11.614 1.979 2.514 1.00 0.00 H new ATOM 0 HB2 SER A 9 10.874 4.312 2.930 1.00 0.00 H new ATOM 0 HB3 SER A 9 12.024 4.431 4.247 1.00 0.00 H new ATOM 0 HG SER A 9 12.671 3.857 1.511 1.00 0.00 H new ATOM 124 N ASP A 10 14.029 1.538 3.188 1.00 0.00 N ATOM 125 CA ASP A 10 15.278 0.927 3.642 1.00 0.00 C ATOM 126 C ASP A 10 16.060 1.669 4.747 1.00 0.00 C ATOM 127 O ASP A 10 16.819 1.011 5.467 1.00 0.00 O ATOM 128 CB ASP A 10 16.182 0.583 2.437 1.00 0.00 C ATOM 129 CG ASP A 10 16.086 -0.899 2.037 1.00 0.00 C ATOM 130 OD1 ASP A 10 15.860 -1.750 2.937 1.00 0.00 O ATOM 131 OD2 ASP A 10 16.239 -1.195 0.830 1.00 0.00 O ATOM 0 H ASP A 10 13.975 1.696 2.182 1.00 0.00 H new ATOM 0 HA ASP A 10 14.957 0.016 4.147 1.00 0.00 H new ATOM 0 HB2 ASP A 10 15.902 1.205 1.587 1.00 0.00 H new ATOM 0 HB3 ASP A 10 17.216 0.824 2.682 1.00 0.00 H new ATOM 136 N SER A 11 15.838 2.977 4.938 1.00 0.00 N ATOM 137 CA SER A 11 16.471 3.804 5.986 1.00 0.00 C ATOM 138 C SER A 11 15.791 3.648 7.357 1.00 0.00 C ATOM 139 O SER A 11 16.277 4.177 8.362 1.00 0.00 O ATOM 140 CB SER A 11 16.444 5.284 5.587 1.00 0.00 C ATOM 141 OG SER A 11 17.186 5.492 4.401 1.00 0.00 O ATOM 0 H SER A 11 15.194 3.509 4.352 1.00 0.00 H new ATOM 0 HA SER A 11 17.499 3.452 6.077 1.00 0.00 H new ATOM 0 HB2 SER A 11 15.414 5.608 5.440 1.00 0.00 H new ATOM 0 HB3 SER A 11 16.857 5.891 6.392 1.00 0.00 H new ATOM 0 HG SER A 11 17.157 6.441 4.159 1.00 0.00 H new ATOM 147 N GLY A 12 14.668 2.913 7.392 1.00 0.00 N ATOM 148 CA GLY A 12 13.901 2.611 8.593 1.00 0.00 C ATOM 149 C GLY A 12 12.868 3.681 8.890 1.00 0.00 C ATOM 150 O GLY A 12 12.711 4.100 10.031 1.00 0.00 O ATOM 0 H GLY A 12 14.262 2.502 6.551 1.00 0.00 H new ATOM 0 HA2 GLY A 12 13.403 1.649 8.473 1.00 0.00 H new ATOM 0 HA3 GLY A 12 14.578 2.515 9.442 1.00 0.00 H new ATOM 154 N ALA A 13 12.144 4.090 7.850 1.00 0.00 N ATOM 155 CA ALA A 13 11.099 5.095 7.956 1.00 0.00 C ATOM 156 C ALA A 13 9.762 4.517 7.495 1.00 0.00 C ATOM 157 O ALA A 13 9.703 3.744 6.536 1.00 0.00 O ATOM 158 CB ALA A 13 11.507 6.320 7.131 1.00 0.00 C ATOM 0 H ALA A 13 12.270 3.728 6.905 1.00 0.00 H new ATOM 0 HA ALA A 13 10.974 5.402 8.994 1.00 0.00 H new ATOM 0 HB1 ALA A 13 10.731 7.082 7.202 1.00 0.00 H new ATOM 0 HB2 ALA A 13 12.445 6.721 7.515 1.00 0.00 H new ATOM 0 HB3 ALA A 13 11.636 6.030 6.088 1.00 0.00 H new ATOM 164 N LEU A 14 8.686 4.916 8.179 1.00 0.00 N ATOM 165 CA LEU A 14 7.296 4.548 7.907 1.00 0.00 C ATOM 166 C LEU A 14 6.742 5.111 6.587 1.00 0.00 C ATOM 167 O LEU A 14 5.796 5.890 6.540 1.00 0.00 O ATOM 168 CB LEU A 14 6.405 4.893 9.131 1.00 0.00 C ATOM 169 CG LEU A 14 6.485 6.268 9.861 1.00 0.00 C ATOM 170 CD1 LEU A 14 7.326 6.171 11.137 1.00 0.00 C ATOM 171 CD2 LEU A 14 6.987 7.486 9.075 1.00 0.00 C ATOM 0 H LEU A 14 8.767 5.539 8.982 1.00 0.00 H new ATOM 0 HA LEU A 14 7.276 3.468 7.758 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.371 4.770 8.809 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.598 4.128 9.883 1.00 0.00 H new ATOM 0 HG LEU A 14 5.429 6.462 10.050 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.363 7.146 11.623 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.877 5.444 11.814 1.00 0.00 H new ATOM 0 HD13 LEU A 14 8.337 5.854 10.883 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.983 8.363 9.722 1.00 0.00 H new ATOM 0 HD22 LEU A 14 8.001 7.299 8.723 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.333 7.663 8.221 1.00 0.00 H new ATOM 183 N VAL A 15 7.338 4.695 5.472 1.00 0.00 N ATOM 184 CA VAL A 15 6.897 5.091 4.141 1.00 0.00 C ATOM 185 C VAL A 15 7.149 3.925 3.196 1.00 0.00 C ATOM 186 O VAL A 15 8.075 3.134 3.389 1.00 0.00 O ATOM 187 CB VAL A 15 7.578 6.406 3.692 1.00 0.00 C ATOM 188 CG1 VAL A 15 9.077 6.247 3.423 1.00 0.00 C ATOM 189 CG2 VAL A 15 6.905 7.013 2.451 1.00 0.00 C ATOM 0 H VAL A 15 8.144 4.071 5.469 1.00 0.00 H new ATOM 0 HA VAL A 15 5.830 5.312 4.138 1.00 0.00 H new ATOM 0 HB VAL A 15 7.455 7.086 4.535 1.00 0.00 H new ATOM 0 HG11 VAL A 15 9.494 7.205 3.112 1.00 0.00 H new ATOM 0 HG12 VAL A 15 9.576 5.912 4.332 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.229 5.511 2.633 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.417 7.934 2.173 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.959 6.304 1.625 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.861 7.232 2.674 1.00 0.00 H new ATOM 199 N PHE A 16 6.278 3.780 2.204 1.00 0.00 N ATOM 200 CA PHE A 16 6.354 2.778 1.159 1.00 0.00 C ATOM 201 C PHE A 16 7.128 3.280 -0.063 1.00 0.00 C ATOM 202 O PHE A 16 7.015 4.441 -0.464 1.00 0.00 O ATOM 203 CB PHE A 16 4.937 2.215 0.917 1.00 0.00 C ATOM 204 CG PHE A 16 3.737 3.101 1.190 1.00 0.00 C ATOM 205 CD1 PHE A 16 3.707 4.463 0.849 1.00 0.00 C ATOM 206 CD2 PHE A 16 2.709 2.564 1.987 1.00 0.00 C ATOM 207 CE1 PHE A 16 2.639 5.268 1.273 1.00 0.00 C ATOM 208 CE2 PHE A 16 1.660 3.371 2.443 1.00 0.00 C ATOM 209 CZ PHE A 16 1.617 4.719 2.070 1.00 0.00 C ATOM 0 H PHE A 16 5.465 4.388 2.106 1.00 0.00 H new ATOM 0 HA PHE A 16 6.960 1.925 1.464 1.00 0.00 H new ATOM 0 HB2 PHE A 16 4.882 1.899 -0.125 1.00 0.00 H new ATOM 0 HB3 PHE A 16 4.830 1.319 1.528 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.506 4.890 0.261 1.00 0.00 H new ATOM 0 HD2 PHE A 16 2.730 1.517 2.250 1.00 0.00 H new ATOM 0 HE1 PHE A 16 2.601 6.309 0.988 1.00 0.00 H new ATOM 0 HE2 PHE A 16 0.890 2.957 3.077 1.00 0.00 H new ATOM 0 HZ PHE A 16 0.796 5.341 2.395 1.00 0.00 H new ATOM 219 N GLU A 17 7.983 2.395 -0.598 1.00 0.00 N ATOM 220 CA GLU A 17 8.870 2.660 -1.731 1.00 0.00 C ATOM 221 C GLU A 17 8.585 1.718 -2.907 1.00 0.00 C ATOM 222 O GLU A 17 8.875 0.523 -2.806 1.00 0.00 O ATOM 223 CB GLU A 17 10.352 2.646 -1.279 1.00 0.00 C ATOM 224 CG GLU A 17 10.901 1.385 -0.589 1.00 0.00 C ATOM 225 CD GLU A 17 12.257 1.556 0.126 1.00 0.00 C ATOM 226 OE1 GLU A 17 12.651 2.715 0.405 1.00 0.00 O ATOM 227 OE2 GLU A 17 12.850 0.523 0.536 1.00 0.00 O ATOM 0 H GLU A 17 8.076 1.445 -0.239 1.00 0.00 H new ATOM 0 HA GLU A 17 8.665 3.663 -2.104 1.00 0.00 H new ATOM 0 HB2 GLU A 17 10.968 2.837 -2.158 1.00 0.00 H new ATOM 0 HB3 GLU A 17 10.498 3.485 -0.599 1.00 0.00 H new ATOM 0 HG2 GLU A 17 10.167 1.042 0.140 1.00 0.00 H new ATOM 0 HG3 GLU A 17 11.001 0.598 -1.336 1.00 0.00 H new ATOM 234 N PRO A 18 7.962 2.219 -3.996 1.00 0.00 N ATOM 235 CA PRO A 18 7.476 3.593 -4.172 1.00 0.00 C ATOM 236 C PRO A 18 6.161 3.931 -3.441 1.00 0.00 C ATOM 237 O PRO A 18 5.280 3.085 -3.267 1.00 0.00 O ATOM 238 CB PRO A 18 7.330 3.773 -5.674 1.00 0.00 C ATOM 239 CG PRO A 18 7.004 2.367 -6.173 1.00 0.00 C ATOM 240 CD PRO A 18 7.856 1.493 -5.255 1.00 0.00 C ATOM 0 HA PRO A 18 8.188 4.282 -3.718 1.00 0.00 H new ATOM 0 HB2 PRO A 18 6.536 4.479 -5.918 1.00 0.00 H new ATOM 0 HB3 PRO A 18 8.247 4.156 -6.123 1.00 0.00 H new ATOM 0 HG2 PRO A 18 5.942 2.139 -6.082 1.00 0.00 H new ATOM 0 HG3 PRO A 18 7.270 2.236 -7.222 1.00 0.00 H new ATOM 0 HD2 PRO A 18 7.394 0.517 -5.105 1.00 0.00 H new ATOM 0 HD3 PRO A 18 8.841 1.316 -5.688 1.00 0.00 H new ATOM 248 N SER A 19 6.018 5.222 -3.096 1.00 0.00 N ATOM 249 CA SER A 19 4.910 5.867 -2.351 1.00 0.00 C ATOM 250 C SER A 19 3.804 6.435 -3.263 1.00 0.00 C ATOM 251 O SER A 19 2.790 6.997 -2.834 1.00 0.00 O ATOM 252 CB SER A 19 5.436 7.060 -1.525 1.00 0.00 C ATOM 253 OG SER A 19 6.818 6.961 -1.262 1.00 0.00 O ATOM 0 H SER A 19 6.733 5.904 -3.350 1.00 0.00 H new ATOM 0 HA SER A 19 4.495 5.076 -1.726 1.00 0.00 H new ATOM 0 HB2 SER A 19 5.236 7.987 -2.062 1.00 0.00 H new ATOM 0 HB3 SER A 19 4.892 7.114 -0.582 1.00 0.00 H new ATOM 0 HG SER A 19 6.993 6.155 -0.733 1.00 0.00 H new ATOM 259 N THR A 20 4.092 6.405 -4.558 1.00 0.00 N ATOM 260 CA THR A 20 3.310 6.893 -5.690 1.00 0.00 C ATOM 261 C THR A 20 3.676 5.978 -6.854 1.00 0.00 C ATOM 262 O THR A 20 4.862 5.819 -7.140 1.00 0.00 O ATOM 263 CB THR A 20 3.651 8.359 -6.015 1.00 0.00 C ATOM 264 OG1 THR A 20 3.873 9.121 -4.847 1.00 0.00 O ATOM 265 CG2 THR A 20 2.532 9.047 -6.794 1.00 0.00 C ATOM 0 H THR A 20 4.971 5.996 -4.875 1.00 0.00 H new ATOM 0 HA THR A 20 2.241 6.874 -5.477 1.00 0.00 H new ATOM 0 HB THR A 20 4.559 8.316 -6.617 1.00 0.00 H new ATOM 0 HG1 THR A 20 4.088 10.044 -5.095 1.00 0.00 H new ATOM 0 HG21 THR A 20 2.815 10.079 -7.002 1.00 0.00 H new ATOM 0 HG22 THR A 20 2.366 8.520 -7.734 1.00 0.00 H new ATOM 0 HG23 THR A 20 1.616 9.034 -6.203 1.00 0.00 H new ATOM 273 N VAL A 21 2.697 5.339 -7.499 1.00 0.00 N ATOM 274 CA VAL A 21 2.969 4.393 -8.599 1.00 0.00 C ATOM 275 C VAL A 21 2.000 4.559 -9.764 1.00 0.00 C ATOM 276 O VAL A 21 0.891 5.060 -9.570 1.00 0.00 O ATOM 277 CB VAL A 21 3.029 2.958 -8.021 1.00 0.00 C ATOM 278 CG1 VAL A 21 1.714 2.493 -7.384 1.00 0.00 C ATOM 279 CG2 VAL A 21 3.479 1.908 -9.044 1.00 0.00 C ATOM 0 H VAL A 21 1.707 5.455 -7.283 1.00 0.00 H new ATOM 0 HA VAL A 21 3.941 4.613 -9.040 1.00 0.00 H new ATOM 0 HB VAL A 21 3.784 3.034 -7.238 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.833 1.479 -7.002 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.451 3.161 -6.564 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.922 2.507 -8.133 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.499 0.926 -8.572 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.782 1.894 -9.882 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.477 2.157 -9.406 1.00 0.00 H new ATOM 289 N THR A 22 2.429 4.150 -10.966 1.00 0.00 N ATOM 290 CA THR A 22 1.628 4.294 -12.173 1.00 0.00 C ATOM 291 C THR A 22 1.556 2.980 -12.982 1.00 0.00 C ATOM 292 O THR A 22 2.505 2.557 -13.648 1.00 0.00 O ATOM 293 CB THR A 22 2.148 5.549 -12.932 1.00 0.00 C ATOM 294 OG1 THR A 22 1.101 6.097 -13.693 1.00 0.00 O ATOM 295 CG2 THR A 22 3.357 5.340 -13.850 1.00 0.00 C ATOM 0 H THR A 22 3.338 3.713 -11.121 1.00 0.00 H new ATOM 0 HA THR A 22 0.577 4.473 -11.944 1.00 0.00 H new ATOM 0 HB THR A 22 2.498 6.216 -12.144 1.00 0.00 H new ATOM 0 HG1 THR A 22 1.424 6.889 -14.171 1.00 0.00 H new ATOM 0 HG21 THR A 22 3.624 6.286 -14.321 1.00 0.00 H new ATOM 0 HG22 THR A 22 4.201 4.976 -13.263 1.00 0.00 H new ATOM 0 HG23 THR A 22 3.108 4.609 -14.619 1.00 0.00 H new ATOM 303 N ILE A 23 0.428 2.285 -12.815 1.00 0.00 N ATOM 304 CA ILE A 23 0.095 1.036 -13.510 1.00 0.00 C ATOM 305 C ILE A 23 -1.088 1.336 -14.434 1.00 0.00 C ATOM 306 O ILE A 23 -1.513 2.489 -14.515 1.00 0.00 O ATOM 307 CB ILE A 23 -0.183 -0.140 -12.532 1.00 0.00 C ATOM 308 CG1 ILE A 23 -1.334 0.114 -11.529 1.00 0.00 C ATOM 309 CG2 ILE A 23 1.125 -0.517 -11.822 1.00 0.00 C ATOM 310 CD1 ILE A 23 -2.082 -1.182 -11.217 1.00 0.00 C ATOM 0 H ILE A 23 -0.304 2.585 -12.171 1.00 0.00 H new ATOM 0 HA ILE A 23 0.947 0.694 -14.097 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.540 -0.979 -13.130 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.933 0.537 -10.608 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.026 0.848 -11.942 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.941 -1.341 -11.133 1.00 0.00 H new ATOM 0 HG22 ILE A 23 1.866 -0.821 -12.562 1.00 0.00 H new ATOM 0 HG23 ILE A 23 1.498 0.343 -11.266 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.886 -0.977 -10.510 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -2.502 -1.590 -12.136 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.392 -1.905 -10.782 1.00 0.00 H new ATOM 322 N LYS A 24 -1.627 0.350 -15.160 1.00 0.00 N ATOM 323 CA LYS A 24 -2.768 0.574 -16.043 1.00 0.00 C ATOM 324 C LYS A 24 -3.920 -0.363 -15.719 1.00 0.00 C ATOM 325 O LYS A 24 -3.689 -1.546 -15.502 1.00 0.00 O ATOM 326 CB LYS A 24 -2.306 0.550 -17.506 1.00 0.00 C ATOM 327 CG LYS A 24 -2.511 -0.704 -18.365 1.00 0.00 C ATOM 328 CD LYS A 24 -3.863 -0.686 -19.103 1.00 0.00 C ATOM 329 CE LYS A 24 -3.979 0.444 -20.147 1.00 0.00 C ATOM 330 NZ LYS A 24 -4.706 1.652 -19.663 1.00 0.00 N ATOM 0 H LYS A 24 -1.287 -0.612 -15.150 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.179 1.569 -15.871 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.806 1.374 -18.015 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -1.239 0.773 -17.510 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.703 -0.781 -19.092 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.456 -1.590 -17.732 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.010 -1.645 -19.600 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.665 -0.579 -18.373 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.977 0.738 -20.460 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -4.488 0.057 -21.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.390 1.958 -20.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.210 1.424 -18.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.026 2.418 -19.484 1.00 0.00 H new ATOM 344 N ALA A 25 -5.145 0.176 -15.674 1.00 0.00 N ATOM 345 CA ALA A 25 -6.394 -0.508 -15.344 1.00 0.00 C ATOM 346 C ALA A 25 -6.396 -1.990 -15.762 1.00 0.00 C ATOM 347 O ALA A 25 -6.489 -2.312 -16.947 1.00 0.00 O ATOM 348 CB ALA A 25 -7.555 0.296 -15.933 1.00 0.00 C ATOM 0 H ALA A 25 -5.296 1.163 -15.881 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.510 -0.546 -14.261 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -8.497 -0.199 -15.697 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -7.556 1.299 -15.507 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.440 0.361 -17.015 1.00 0.00 H new ATOM 354 N GLY A 26 -6.213 -2.875 -14.772 1.00 0.00 N ATOM 355 CA GLY A 26 -6.127 -4.325 -14.930 1.00 0.00 C ATOM 356 C GLY A 26 -4.781 -4.897 -14.475 1.00 0.00 C ATOM 357 O GLY A 26 -4.611 -6.114 -14.511 1.00 0.00 O ATOM 0 H GLY A 26 -6.117 -2.582 -13.800 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -6.927 -4.795 -14.359 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -6.289 -4.581 -15.977 1.00 0.00 H new ATOM 361 N GLU A 27 -3.808 -4.058 -14.083 1.00 0.00 N ATOM 362 CA GLU A 27 -2.467 -4.480 -13.632 1.00 0.00 C ATOM 363 C GLU A 27 -2.335 -4.694 -12.108 1.00 0.00 C ATOM 364 O GLU A 27 -3.211 -4.316 -11.323 1.00 0.00 O ATOM 365 CB GLU A 27 -1.436 -3.452 -14.119 1.00 0.00 C ATOM 366 CG GLU A 27 -1.057 -3.687 -15.585 1.00 0.00 C ATOM 367 CD GLU A 27 -0.291 -2.511 -16.199 1.00 0.00 C ATOM 368 OE1 GLU A 27 0.178 -1.621 -15.452 1.00 0.00 O ATOM 369 OE2 GLU A 27 0.000 -2.567 -17.410 1.00 0.00 O ATOM 0 H GLU A 27 -3.932 -3.046 -14.070 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.285 -5.462 -14.069 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.841 -2.447 -14.004 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.542 -3.509 -13.498 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.448 -4.588 -15.658 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.962 -3.867 -16.165 1.00 0.00 H new ATOM 376 N GLU A 28 -1.204 -5.283 -11.670 1.00 0.00 N ATOM 377 CA GLU A 28 -0.953 -5.600 -10.255 1.00 0.00 C ATOM 378 C GLU A 28 0.018 -4.635 -9.567 1.00 0.00 C ATOM 379 O GLU A 28 0.780 -3.903 -10.207 1.00 0.00 O ATOM 380 CB GLU A 28 -0.475 -7.068 -10.098 1.00 0.00 C ATOM 381 CG GLU A 28 1.015 -7.366 -9.910 1.00 0.00 C ATOM 382 CD GLU A 28 1.286 -8.885 -9.825 1.00 0.00 C ATOM 383 OE1 GLU A 28 1.267 -9.555 -10.882 1.00 0.00 O ATOM 384 OE2 GLU A 28 1.721 -9.341 -8.741 1.00 0.00 O ATOM 0 H GLU A 28 -0.440 -5.551 -12.290 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.908 -5.475 -9.745 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.002 -7.492 -9.243 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.807 -7.615 -10.981 1.00 0.00 H new ATOM 0 HG2 GLU A 28 1.579 -6.941 -10.740 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.372 -6.881 -9.001 1.00 0.00 H new ATOM 391 N VAL A 29 -0.005 -4.696 -8.231 1.00 0.00 N ATOM 392 CA VAL A 29 0.815 -3.956 -7.293 1.00 0.00 C ATOM 393 C VAL A 29 1.023 -4.871 -6.067 1.00 0.00 C ATOM 394 O VAL A 29 0.096 -5.035 -5.259 1.00 0.00 O ATOM 395 CB VAL A 29 0.082 -2.688 -6.848 1.00 0.00 C ATOM 396 CG1 VAL A 29 0.904 -1.886 -5.822 1.00 0.00 C ATOM 397 CG2 VAL A 29 -0.288 -1.732 -7.996 1.00 0.00 C ATOM 0 H VAL A 29 -0.654 -5.318 -7.749 1.00 0.00 H new ATOM 0 HA VAL A 29 1.763 -3.670 -7.749 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.841 -3.063 -6.405 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.351 -0.993 -5.530 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.089 -2.502 -4.942 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.855 -1.594 -6.266 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.804 -0.861 -7.592 1.00 0.00 H new ATOM 0 HG22 VAL A 29 0.619 -1.411 -8.509 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -0.941 -2.246 -8.701 1.00 0.00 H new ATOM 407 N LYS A 30 2.209 -5.478 -5.916 1.00 0.00 N ATOM 408 CA LYS A 30 2.540 -6.350 -4.779 1.00 0.00 C ATOM 409 C LYS A 30 3.410 -5.604 -3.748 1.00 0.00 C ATOM 410 O LYS A 30 4.560 -5.268 -4.020 1.00 0.00 O ATOM 411 CB LYS A 30 3.144 -7.669 -5.316 1.00 0.00 C ATOM 412 CG LYS A 30 4.600 -7.634 -5.811 1.00 0.00 C ATOM 413 CD LYS A 30 4.879 -8.672 -6.905 1.00 0.00 C ATOM 414 CE LYS A 30 4.614 -8.044 -8.279 1.00 0.00 C ATOM 415 NZ LYS A 30 4.318 -9.067 -9.299 1.00 0.00 N ATOM 0 H LYS A 30 2.972 -5.377 -6.585 1.00 0.00 H new ATOM 0 HA LYS A 30 1.643 -6.626 -4.224 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.075 -8.417 -4.526 1.00 0.00 H new ATOM 0 HB3 LYS A 30 2.518 -8.016 -6.138 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.825 -6.639 -6.194 1.00 0.00 H new ATOM 0 HG3 LYS A 30 5.270 -7.810 -4.969 1.00 0.00 H new ATOM 0 HD2 LYS A 30 5.912 -9.015 -6.842 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.244 -9.546 -6.763 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.777 -7.350 -8.206 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.483 -7.464 -8.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 4.178 -8.607 -10.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 5.113 -9.735 -9.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.454 -9.582 -9.034 1.00 0.00 H new ATOM 429 N TRP A 31 2.866 -5.315 -2.560 1.00 0.00 N ATOM 430 CA TRP A 31 3.556 -4.652 -1.448 1.00 0.00 C ATOM 431 C TRP A 31 3.816 -5.444 -0.186 1.00 0.00 C ATOM 432 O TRP A 31 2.923 -5.800 0.583 1.00 0.00 O ATOM 433 CB TRP A 31 2.937 -3.282 -1.141 1.00 0.00 C ATOM 434 CG TRP A 31 1.508 -2.941 -1.397 1.00 0.00 C ATOM 435 CD1 TRP A 31 0.494 -3.708 -1.851 1.00 0.00 C ATOM 436 CD2 TRP A 31 1.068 -1.582 -1.590 1.00 0.00 C ATOM 437 NE1 TRP A 31 -0.449 -2.905 -2.457 1.00 0.00 N ATOM 438 CE2 TRP A 31 -0.136 -1.578 -2.340 1.00 0.00 C ATOM 439 CE3 TRP A 31 1.680 -0.353 -1.316 1.00 0.00 C ATOM 440 CZ2 TRP A 31 -0.707 -0.408 -2.844 1.00 0.00 C ATOM 441 CZ3 TRP A 31 1.121 0.827 -1.812 1.00 0.00 C ATOM 442 CH2 TRP A 31 -0.062 0.811 -2.576 1.00 0.00 C ATOM 0 H TRP A 31 1.897 -5.545 -2.339 1.00 0.00 H new ATOM 0 HA TRP A 31 4.564 -4.533 -1.845 1.00 0.00 H new ATOM 0 HB2 TRP A 31 3.109 -3.100 -0.080 1.00 0.00 H new ATOM 0 HB3 TRP A 31 3.529 -2.550 -1.690 1.00 0.00 H new ATOM 0 HD1 TRP A 31 0.431 -4.782 -1.755 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -1.279 -3.257 -2.934 1.00 0.00 H new ATOM 0 HE3 TRP A 31 2.582 -0.317 -0.723 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -1.618 -0.439 -3.423 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 1.605 1.770 -1.606 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -0.473 1.735 -2.955 1.00 0.00 H new ATOM 453 N VAL A 32 5.139 -5.623 -0.008 1.00 0.00 N ATOM 454 CA VAL A 32 5.882 -6.362 1.017 1.00 0.00 C ATOM 455 C VAL A 32 6.388 -5.501 2.159 1.00 0.00 C ATOM 456 O VAL A 32 6.941 -4.430 1.980 1.00 0.00 O ATOM 457 CB VAL A 32 7.074 -7.059 0.319 1.00 0.00 C ATOM 458 CG1 VAL A 32 7.770 -8.076 1.241 1.00 0.00 C ATOM 459 CG2 VAL A 32 6.694 -7.813 -0.973 1.00 0.00 C ATOM 0 H VAL A 32 5.789 -5.196 -0.667 1.00 0.00 H new ATOM 0 HA VAL A 32 5.196 -7.076 1.474 1.00 0.00 H new ATOM 0 HB VAL A 32 7.740 -6.234 0.067 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.600 -8.541 0.709 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.147 -7.565 2.127 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.056 -8.843 1.541 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.585 -8.273 -1.401 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.962 -8.586 -0.741 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.267 -7.113 -1.691 1.00 0.00 H new ATOM 469 N ASN A 33 6.217 -6.057 3.346 1.00 0.00 N ATOM 470 CA ASN A 33 6.607 -5.584 4.662 1.00 0.00 C ATOM 471 C ASN A 33 8.137 -5.665 4.741 1.00 0.00 C ATOM 472 O ASN A 33 8.700 -6.746 4.586 1.00 0.00 O ATOM 473 CB ASN A 33 5.829 -6.533 5.575 1.00 0.00 C ATOM 474 CG ASN A 33 6.206 -6.573 7.029 1.00 0.00 C ATOM 475 OD1 ASN A 33 7.345 -6.440 7.422 1.00 0.00 O ATOM 476 ND2 ASN A 33 5.245 -6.794 7.887 1.00 0.00 N ATOM 0 H ASN A 33 5.745 -6.958 3.417 1.00 0.00 H new ATOM 0 HA ASN A 33 6.380 -4.552 4.929 1.00 0.00 H new ATOM 0 HB2 ASN A 33 4.773 -6.270 5.510 1.00 0.00 H new ATOM 0 HB3 ASN A 33 5.931 -7.542 5.175 1.00 0.00 H new ATOM 0 HD21 ASN A 33 5.455 -6.854 8.883 1.00 0.00 H new ATOM 0 HD22 ASN A 33 4.285 -6.906 7.560 1.00 0.00 H new ATOM 483 N ASN A 34 8.805 -4.539 4.963 1.00 0.00 N ATOM 484 CA ASN A 34 10.262 -4.459 5.013 1.00 0.00 C ATOM 485 C ASN A 34 10.788 -3.675 6.215 1.00 0.00 C ATOM 486 O ASN A 34 11.890 -4.002 6.656 1.00 0.00 O ATOM 487 CB ASN A 34 10.748 -3.877 3.671 1.00 0.00 C ATOM 488 CG ASN A 34 12.268 -3.726 3.556 1.00 0.00 C ATOM 489 OD1 ASN A 34 13.030 -4.680 3.561 1.00 0.00 O ATOM 490 ND2 ASN A 34 12.758 -2.507 3.376 1.00 0.00 N ATOM 0 H ASN A 34 8.344 -3.642 5.116 1.00 0.00 H new ATOM 0 HA ASN A 34 10.668 -5.461 5.155 1.00 0.00 H new ATOM 0 HB2 ASN A 34 10.397 -4.519 2.863 1.00 0.00 H new ATOM 0 HB3 ASN A 34 10.287 -2.900 3.525 1.00 0.00 H new ATOM 0 HD21 ASN A 34 13.761 -2.375 3.244 1.00 0.00 H new ATOM 0 HD22 ASN A 34 12.132 -1.702 3.370 1.00 0.00 H new ATOM 497 N LYS A 35 10.073 -2.668 6.751 1.00 0.00 N ATOM 498 CA LYS A 35 10.616 -1.930 7.901 1.00 0.00 C ATOM 499 C LYS A 35 9.608 -1.169 8.761 1.00 0.00 C ATOM 500 O LYS A 35 8.468 -0.897 8.388 1.00 0.00 O ATOM 501 CB LYS A 35 11.790 -1.022 7.434 1.00 0.00 C ATOM 502 CG LYS A 35 13.095 -1.361 8.191 1.00 0.00 C ATOM 503 CD LYS A 35 14.400 -0.976 7.473 1.00 0.00 C ATOM 504 CE LYS A 35 14.555 -1.701 6.131 1.00 0.00 C ATOM 505 NZ LYS A 35 15.947 -1.646 5.624 1.00 0.00 N ATOM 0 H LYS A 35 9.158 -2.358 6.423 1.00 0.00 H new ATOM 0 HA LYS A 35 10.978 -2.696 8.587 1.00 0.00 H new ATOM 0 HB2 LYS A 35 11.945 -1.147 6.362 1.00 0.00 H new ATOM 0 HB3 LYS A 35 11.532 0.024 7.599 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.073 -0.860 9.159 1.00 0.00 H new ATOM 0 HG3 LYS A 35 13.112 -2.433 8.387 1.00 0.00 H new ATOM 0 HD2 LYS A 35 14.418 0.101 7.307 1.00 0.00 H new ATOM 0 HD3 LYS A 35 15.249 -1.214 8.113 1.00 0.00 H new ATOM 0 HE2 LYS A 35 14.252 -2.742 6.245 1.00 0.00 H new ATOM 0 HE3 LYS A 35 13.885 -1.252 5.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 15.966 -1.948 4.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 16.305 -0.672 5.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 16.548 -2.279 6.189 1.00 0.00 H new ATOM 519 N LEU A 36 10.126 -0.826 9.948 1.00 0.00 N ATOM 520 CA LEU A 36 9.494 -0.136 11.074 1.00 0.00 C ATOM 521 C LEU A 36 8.082 -0.672 11.340 1.00 0.00 C ATOM 522 O LEU A 36 7.108 0.059 11.504 1.00 0.00 O ATOM 523 CB LEU A 36 9.601 1.384 10.841 1.00 0.00 C ATOM 524 CG LEU A 36 9.371 2.267 12.088 1.00 0.00 C ATOM 525 CD1 LEU A 36 10.323 1.962 13.259 1.00 0.00 C ATOM 526 CD2 LEU A 36 9.605 3.712 11.652 1.00 0.00 C ATOM 0 H LEU A 36 11.098 -1.049 10.162 1.00 0.00 H new ATOM 0 HA LEU A 36 10.018 -0.342 12.007 1.00 0.00 H new ATOM 0 HB2 LEU A 36 10.590 1.603 10.440 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.877 1.669 10.078 1.00 0.00 H new ATOM 0 HG LEU A 36 8.362 2.073 12.452 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.096 2.624 14.094 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.194 0.926 13.572 1.00 0.00 H new ATOM 0 HD13 LEU A 36 11.353 2.120 12.941 1.00 0.00 H new ATOM 0 HD21 LEU A 36 9.454 4.378 12.502 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.625 3.820 11.283 1.00 0.00 H new ATOM 0 HD23 LEU A 36 8.903 3.971 10.859 1.00 0.00 H new ATOM 538 N SER A 37 8.045 -2.005 11.388 1.00 0.00 N ATOM 539 CA SER A 37 6.887 -2.850 11.631 1.00 0.00 C ATOM 540 C SER A 37 6.198 -2.503 12.959 1.00 0.00 C ATOM 541 O SER A 37 6.874 -2.237 13.958 1.00 0.00 O ATOM 542 CB SER A 37 7.327 -4.323 11.686 1.00 0.00 C ATOM 543 OG SER A 37 8.334 -4.634 10.732 1.00 0.00 O ATOM 0 H SER A 37 8.890 -2.558 11.247 1.00 0.00 H new ATOM 0 HA SER A 37 6.183 -2.683 10.816 1.00 0.00 H new ATOM 0 HB2 SER A 37 7.698 -4.549 12.686 1.00 0.00 H new ATOM 0 HB3 SER A 37 6.461 -4.963 11.515 1.00 0.00 H new ATOM 0 HG SER A 37 8.578 -5.580 10.810 1.00 0.00 H new ATOM 549 N PRO A 38 4.859 -2.608 13.008 1.00 0.00 N ATOM 550 CA PRO A 38 3.965 -3.031 11.925 1.00 0.00 C ATOM 551 C PRO A 38 3.729 -1.952 10.840 1.00 0.00 C ATOM 552 O PRO A 38 4.196 -0.817 10.909 1.00 0.00 O ATOM 553 CB PRO A 38 2.675 -3.426 12.645 1.00 0.00 C ATOM 554 CG PRO A 38 2.620 -2.445 13.813 1.00 0.00 C ATOM 555 CD PRO A 38 4.090 -2.330 14.213 1.00 0.00 C ATOM 0 HA PRO A 38 4.400 -3.850 11.352 1.00 0.00 H new ATOM 0 HB2 PRO A 38 1.805 -3.330 11.996 1.00 0.00 H new ATOM 0 HB3 PRO A 38 2.704 -4.460 12.988 1.00 0.00 H new ATOM 0 HG2 PRO A 38 2.203 -1.483 13.516 1.00 0.00 H new ATOM 0 HG3 PRO A 38 2.005 -2.820 14.630 1.00 0.00 H new ATOM 0 HD2 PRO A 38 4.313 -1.334 14.597 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.335 -3.039 15.004 1.00 0.00 H new ATOM 563 N HIS A 39 2.994 -2.407 9.821 1.00 0.00 N ATOM 564 CA HIS A 39 2.481 -1.776 8.607 1.00 0.00 C ATOM 565 C HIS A 39 1.125 -2.315 8.153 1.00 0.00 C ATOM 566 O HIS A 39 0.769 -3.457 8.427 1.00 0.00 O ATOM 567 CB HIS A 39 3.564 -1.784 7.489 1.00 0.00 C ATOM 568 CG HIS A 39 4.640 -2.854 7.412 1.00 0.00 C ATOM 569 ND1 HIS A 39 4.898 -3.822 8.347 1.00 0.00 N ATOM 570 CD2 HIS A 39 5.859 -2.600 6.833 1.00 0.00 C ATOM 571 CE1 HIS A 39 6.219 -4.035 8.392 1.00 0.00 C ATOM 572 NE2 HIS A 39 6.839 -3.392 7.407 1.00 0.00 N ATOM 0 H HIS A 39 2.702 -3.384 9.837 1.00 0.00 H new ATOM 0 HA HIS A 39 2.271 -0.735 8.850 1.00 0.00 H new ATOM 0 HB2 HIS A 39 3.032 -1.805 6.538 1.00 0.00 H new ATOM 0 HB3 HIS A 39 4.079 -0.825 7.545 1.00 0.00 H new ATOM 0 HD1 HIS A 39 4.199 -4.301 8.915 1.00 0.00 H new ATOM 0 HD2 HIS A 39 6.029 -1.884 6.042 1.00 0.00 H new ATOM 0 HE1 HIS A 39 6.715 -4.648 9.130 1.00 0.00 H new ATOM 580 N ASN A 40 0.349 -1.470 7.464 1.00 0.00 N ATOM 581 CA ASN A 40 -1.004 -1.740 6.974 1.00 0.00 C ATOM 582 C ASN A 40 -1.203 -1.091 5.591 1.00 0.00 C ATOM 583 O ASN A 40 -0.428 -0.205 5.239 1.00 0.00 O ATOM 584 CB ASN A 40 -1.927 -1.163 8.077 1.00 0.00 C ATOM 585 CG ASN A 40 -3.377 -0.944 7.700 1.00 0.00 C ATOM 586 OD1 ASN A 40 -3.796 0.185 7.503 1.00 0.00 O ATOM 587 ND2 ASN A 40 -4.155 -1.993 7.590 1.00 0.00 N ATOM 0 H ASN A 40 0.666 -0.531 7.222 1.00 0.00 H new ATOM 0 HA ASN A 40 -1.219 -2.796 6.813 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -1.895 -1.836 8.934 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -1.512 -0.210 8.404 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -5.136 -1.876 7.334 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -3.780 -2.926 7.760 1.00 0.00 H new ATOM 594 N ILE A 41 -2.214 -1.511 4.817 1.00 0.00 N ATOM 595 CA ILE A 41 -2.559 -0.962 3.499 1.00 0.00 C ATOM 596 C ILE A 41 -4.071 -0.758 3.372 1.00 0.00 C ATOM 597 O ILE A 41 -4.787 -1.659 2.958 1.00 0.00 O ATOM 598 CB ILE A 41 -2.013 -1.804 2.311 1.00 0.00 C ATOM 599 CG1 ILE A 41 -0.475 -1.665 2.172 1.00 0.00 C ATOM 600 CG2 ILE A 41 -2.635 -1.213 1.005 1.00 0.00 C ATOM 601 CD1 ILE A 41 0.107 -0.258 1.925 1.00 0.00 C ATOM 0 H ILE A 41 -2.835 -2.268 5.102 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.062 0.006 3.437 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.265 -2.851 2.479 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.021 -2.059 3.081 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.155 -2.307 1.352 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.277 -1.777 0.144 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.722 -1.281 1.057 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -2.341 -0.168 0.902 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.193 -0.321 1.850 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.298 0.145 0.997 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -0.162 0.398 2.753 1.00 0.00 H new ATOM 613 N VAL A 42 -4.577 0.438 3.658 1.00 0.00 N ATOM 614 CA VAL A 42 -5.995 0.761 3.528 1.00 0.00 C ATOM 615 C VAL A 42 -6.243 1.817 2.472 1.00 0.00 C ATOM 616 O VAL A 42 -5.726 2.932 2.566 1.00 0.00 O ATOM 617 CB VAL A 42 -6.625 1.212 4.841 1.00 0.00 C ATOM 618 CG1 VAL A 42 -6.848 -0.006 5.719 1.00 0.00 C ATOM 619 CG2 VAL A 42 -5.862 2.269 5.643 1.00 0.00 C ATOM 0 H VAL A 42 -4.009 1.218 3.990 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.471 -0.171 3.223 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.552 1.706 4.549 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.299 0.303 6.662 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -7.513 -0.704 5.211 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.893 -0.493 5.916 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.414 2.503 6.553 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.876 1.885 5.905 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -5.752 3.172 5.043 1.00 0.00 H new ATOM 629 N PHE A 43 -7.005 1.464 1.429 1.00 0.00 N ATOM 630 CA PHE A 43 -7.384 2.376 0.359 1.00 0.00 C ATOM 631 C PHE A 43 -8.489 3.288 0.885 1.00 0.00 C ATOM 632 O PHE A 43 -9.428 2.828 1.532 1.00 0.00 O ATOM 633 CB PHE A 43 -7.829 1.587 -0.874 1.00 0.00 C ATOM 634 CG PHE A 43 -6.647 1.267 -1.754 1.00 0.00 C ATOM 635 CD1 PHE A 43 -5.882 0.103 -1.553 1.00 0.00 C ATOM 636 CD2 PHE A 43 -6.250 2.210 -2.716 1.00 0.00 C ATOM 637 CE1 PHE A 43 -4.728 -0.118 -2.317 1.00 0.00 C ATOM 638 CE2 PHE A 43 -5.105 1.985 -3.496 1.00 0.00 C ATOM 639 CZ PHE A 43 -4.347 0.820 -3.293 1.00 0.00 C ATOM 0 H PHE A 43 -7.377 0.522 1.309 1.00 0.00 H new ATOM 0 HA PHE A 43 -6.536 2.988 0.052 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -8.319 0.664 -0.564 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -8.563 2.164 -1.437 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -6.184 -0.620 -0.810 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -6.828 3.112 -2.856 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.134 -1.005 -2.157 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -4.809 2.703 -4.247 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.465 0.643 -3.891 1.00 0.00 H new ATOM 649 N ALA A 44 -8.345 4.589 0.645 1.00 0.00 N ATOM 650 CA ALA A 44 -9.265 5.638 1.103 1.00 0.00 C ATOM 651 C ALA A 44 -10.684 5.561 0.508 1.00 0.00 C ATOM 652 O ALA A 44 -11.530 6.386 0.867 1.00 0.00 O ATOM 653 CB ALA A 44 -8.631 7.004 0.823 1.00 0.00 C ATOM 0 H ALA A 44 -7.560 4.959 0.109 1.00 0.00 H new ATOM 0 HA ALA A 44 -9.410 5.483 2.172 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -9.304 7.793 1.158 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.685 7.082 1.358 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -8.453 7.110 -0.247 1.00 0.00 H new ATOM 659 N ALA A 45 -10.938 4.573 -0.366 1.00 0.00 N ATOM 660 CA ALA A 45 -12.201 4.260 -1.031 1.00 0.00 C ATOM 661 C ALA A 45 -12.531 5.284 -2.131 1.00 0.00 C ATOM 662 O ALA A 45 -13.701 5.593 -2.345 1.00 0.00 O ATOM 663 CB ALA A 45 -13.321 4.098 0.014 1.00 0.00 C ATOM 0 H ALA A 45 -10.202 3.924 -0.644 1.00 0.00 H new ATOM 0 HA ALA A 45 -12.106 3.305 -1.547 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -14.259 3.865 -0.491 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -13.066 3.289 0.698 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -13.432 5.026 0.575 1.00 0.00 H new ATOM 669 N ASP A 46 -11.511 5.839 -2.815 1.00 0.00 N ATOM 670 CA ASP A 46 -11.684 6.858 -3.857 1.00 0.00 C ATOM 671 C ASP A 46 -12.711 6.528 -4.967 1.00 0.00 C ATOM 672 O ASP A 46 -13.140 7.493 -5.600 1.00 0.00 O ATOM 673 CB ASP A 46 -10.338 7.214 -4.536 1.00 0.00 C ATOM 674 CG ASP A 46 -9.230 7.764 -3.628 1.00 0.00 C ATOM 675 OD1 ASP A 46 -8.781 7.023 -2.729 1.00 0.00 O ATOM 676 OD2 ASP A 46 -8.668 8.853 -3.897 1.00 0.00 O ATOM 0 H ASP A 46 -10.536 5.587 -2.654 1.00 0.00 H new ATOM 0 HA ASP A 46 -12.088 7.704 -3.301 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -9.960 6.319 -5.030 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -10.535 7.950 -5.316 1.00 0.00 H new ATOM 726 N ASP A 51 -12.460 -1.637 -2.727 1.00 0.00 N ATOM 727 CA ASP A 51 -11.487 -1.337 -1.686 1.00 0.00 C ATOM 728 C ASP A 51 -11.505 -2.331 -0.497 1.00 0.00 C ATOM 729 O ASP A 51 -10.458 -2.787 -0.038 1.00 0.00 O ATOM 730 CB ASP A 51 -11.661 0.132 -1.292 1.00 0.00 C ATOM 731 CG ASP A 51 -12.686 0.358 -0.183 1.00 0.00 C ATOM 732 OD1 ASP A 51 -13.794 -0.236 -0.196 1.00 0.00 O ATOM 733 OD2 ASP A 51 -12.266 1.074 0.755 1.00 0.00 O ATOM 0 HA ASP A 51 -10.480 -1.479 -2.079 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -10.698 0.528 -0.969 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -11.961 0.701 -2.172 1.00 0.00 H new ATOM 738 N THR A 52 -12.702 -2.776 -0.098 1.00 0.00 N ATOM 739 CA THR A 52 -12.959 -3.758 0.976 1.00 0.00 C ATOM 740 C THR A 52 -12.377 -5.166 0.742 1.00 0.00 C ATOM 741 O THR A 52 -12.431 -5.998 1.652 1.00 0.00 O ATOM 742 CB THR A 52 -14.476 -3.856 1.220 1.00 0.00 C ATOM 743 OG1 THR A 52 -14.725 -4.706 2.315 1.00 0.00 O ATOM 744 CG2 THR A 52 -15.258 -4.406 0.020 1.00 0.00 C ATOM 0 H THR A 52 -13.564 -2.448 -0.533 1.00 0.00 H new ATOM 0 HA THR A 52 -12.432 -3.378 1.851 1.00 0.00 H new ATOM 0 HB THR A 52 -14.815 -2.837 1.405 1.00 0.00 H new ATOM 0 HG1 THR A 52 -13.965 -5.312 2.438 1.00 0.00 H new ATOM 0 HG21 THR A 52 -16.319 -4.447 0.265 1.00 0.00 H new ATOM 0 HG22 THR A 52 -15.109 -3.754 -0.841 1.00 0.00 H new ATOM 0 HG23 THR A 52 -14.902 -5.408 -0.218 1.00 0.00 H new ATOM 752 N ALA A 53 -11.888 -5.445 -0.471 1.00 0.00 N ATOM 753 CA ALA A 53 -11.246 -6.681 -0.905 1.00 0.00 C ATOM 754 C ALA A 53 -9.833 -6.385 -1.465 1.00 0.00 C ATOM 755 O ALA A 53 -9.033 -7.302 -1.650 1.00 0.00 O ATOM 756 CB ALA A 53 -12.151 -7.372 -1.932 1.00 0.00 C ATOM 0 H ALA A 53 -11.936 -4.761 -1.226 1.00 0.00 H new ATOM 0 HA ALA A 53 -11.111 -7.357 -0.061 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -11.682 -8.298 -2.265 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -13.115 -7.597 -1.475 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -12.300 -6.713 -2.787 1.00 0.00 H new ATOM 762 N ALA A 54 -9.500 -5.101 -1.668 1.00 0.00 N ATOM 763 CA ALA A 54 -8.242 -4.623 -2.226 1.00 0.00 C ATOM 764 C ALA A 54 -7.360 -3.925 -1.179 1.00 0.00 C ATOM 765 O ALA A 54 -6.339 -3.349 -1.540 1.00 0.00 O ATOM 766 CB ALA A 54 -8.559 -3.706 -3.412 1.00 0.00 C ATOM 0 H ALA A 54 -10.136 -4.338 -1.434 1.00 0.00 H new ATOM 0 HA ALA A 54 -7.657 -5.477 -2.568 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -7.629 -3.337 -3.845 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -9.114 -4.265 -4.166 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -9.160 -2.863 -3.070 1.00 0.00 H new ATOM 772 N LYS A 55 -7.713 -3.972 0.108 1.00 0.00 N ATOM 773 CA LYS A 55 -6.977 -3.319 1.173 1.00 0.00 C ATOM 774 C LYS A 55 -6.990 -4.213 2.426 1.00 0.00 C ATOM 775 O LYS A 55 -7.882 -5.048 2.604 1.00 0.00 O ATOM 776 CB LYS A 55 -7.618 -1.915 1.319 1.00 0.00 C ATOM 777 CG LYS A 55 -8.739 -1.850 2.385 1.00 0.00 C ATOM 778 CD LYS A 55 -9.596 -0.571 2.365 1.00 0.00 C ATOM 779 CE LYS A 55 -10.895 -0.801 3.153 1.00 0.00 C ATOM 780 NZ LYS A 55 -11.744 0.416 3.221 1.00 0.00 N ATOM 0 H LYS A 55 -8.536 -4.477 0.437 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.915 -3.176 0.975 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.841 -1.196 1.578 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -8.027 -1.610 0.356 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -9.396 -2.709 2.250 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.285 -1.948 3.371 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -9.038 0.258 2.800 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -9.828 -0.294 1.337 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -11.460 -1.608 2.687 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -10.650 -1.126 4.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -12.710 0.150 3.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -11.351 1.075 3.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -11.766 0.877 2.289 1.00 0.00 H new ATOM 794 N LEU A 56 -6.005 -4.013 3.304 1.00 0.00 N ATOM 795 CA LEU A 56 -5.799 -4.671 4.588 1.00 0.00 C ATOM 796 C LEU A 56 -6.823 -4.020 5.551 1.00 0.00 C ATOM 797 O LEU A 56 -6.467 -3.373 6.537 1.00 0.00 O ATOM 798 CB LEU A 56 -4.353 -4.436 5.053 1.00 0.00 C ATOM 799 CG LEU A 56 -3.255 -5.299 4.395 1.00 0.00 C ATOM 800 CD1 LEU A 56 -1.885 -5.048 5.054 1.00 0.00 C ATOM 801 CD2 LEU A 56 -3.529 -6.800 4.515 1.00 0.00 C ATOM 0 H LEU A 56 -5.272 -3.329 3.116 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.945 -5.750 4.543 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.108 -3.388 4.881 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.313 -4.600 6.130 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.254 -5.007 3.345 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.130 -5.669 4.571 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.616 -3.998 4.944 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.939 -5.300 6.113 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.724 -7.356 4.035 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -3.583 -7.077 5.568 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.475 -7.037 4.028 1.00 0.00 H new ATOM 813 N SER A 57 -8.111 -4.144 5.243 1.00 0.00 N ATOM 814 CA SER A 57 -9.280 -3.587 5.917 1.00 0.00 C ATOM 815 C SER A 57 -9.212 -3.144 7.366 1.00 0.00 C ATOM 816 O SER A 57 -9.560 -3.897 8.268 1.00 0.00 O ATOM 817 CB SER A 57 -10.496 -4.494 5.669 1.00 0.00 C ATOM 818 OG SER A 57 -10.893 -4.369 4.316 1.00 0.00 O ATOM 0 H SER A 57 -8.390 -4.694 4.431 1.00 0.00 H new ATOM 0 HA SER A 57 -9.358 -2.610 5.439 1.00 0.00 H new ATOM 0 HB2 SER A 57 -10.245 -5.531 5.894 1.00 0.00 H new ATOM 0 HB3 SER A 57 -11.316 -4.214 6.330 1.00 0.00 H new ATOM 0 HG SER A 57 -11.667 -4.946 4.148 1.00 0.00 H new ATOM 824 N HIS A 58 -8.773 -1.870 7.510 1.00 0.00 N ATOM 825 CA HIS A 58 -8.543 -0.961 8.661 1.00 0.00 C ATOM 826 C HIS A 58 -8.056 -1.624 9.942 1.00 0.00 C ATOM 827 O HIS A 58 -8.047 -1.048 11.027 1.00 0.00 O ATOM 828 CB HIS A 58 -9.790 -0.081 8.861 1.00 0.00 C ATOM 829 CG HIS A 58 -10.015 0.803 7.657 1.00 0.00 C ATOM 830 ND1 HIS A 58 -9.404 2.015 7.393 1.00 0.00 N ATOM 831 CD2 HIS A 58 -10.715 0.443 6.540 1.00 0.00 C ATOM 832 CE1 HIS A 58 -9.727 2.362 6.134 1.00 0.00 C ATOM 833 NE2 HIS A 58 -10.510 1.428 5.570 1.00 0.00 N ATOM 0 H HIS A 58 -8.527 -1.366 6.658 1.00 0.00 H new ATOM 0 HA HIS A 58 -7.691 -0.332 8.402 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -10.664 -0.711 9.025 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -9.669 0.534 9.753 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -8.817 2.548 8.035 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -11.319 -0.445 6.427 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -9.401 3.268 5.644 1.00 0.00 H new ATOM 841 N LYS A 59 -7.661 -2.874 9.795 1.00 0.00 N ATOM 842 CA LYS A 59 -7.190 -3.798 10.779 1.00 0.00 C ATOM 843 C LYS A 59 -6.329 -4.865 10.121 1.00 0.00 C ATOM 844 O LYS A 59 -5.691 -5.569 10.896 1.00 0.00 O ATOM 845 CB LYS A 59 -8.404 -4.388 11.532 1.00 0.00 C ATOM 846 CG LYS A 59 -8.103 -4.973 12.926 1.00 0.00 C ATOM 847 CD LYS A 59 -7.039 -4.259 13.787 1.00 0.00 C ATOM 848 CE LYS A 59 -7.226 -2.790 14.226 1.00 0.00 C ATOM 849 NZ LYS A 59 -8.313 -2.029 13.562 1.00 0.00 N ATOM 0 H LYS A 59 -7.668 -3.305 8.870 1.00 0.00 H new ATOM 0 HA LYS A 59 -6.557 -3.294 11.510 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -9.156 -3.607 11.640 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -8.845 -5.172 10.916 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -9.035 -4.991 13.491 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -7.789 -6.009 12.795 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -6.913 -4.850 14.694 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.098 -4.311 13.240 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -7.409 -2.777 15.301 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -6.288 -2.262 14.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -8.463 -1.130 14.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -8.049 -1.836 12.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -9.190 -2.587 13.583 1.00 0.00 H new ATOM 863 N GLY A 60 -6.290 -5.060 8.775 1.00 0.00 N ATOM 864 CA GLY A 60 -5.346 -6.101 8.287 1.00 0.00 C ATOM 865 C GLY A 60 -3.936 -5.620 8.657 1.00 0.00 C ATOM 866 O GLY A 60 -3.702 -4.413 8.629 1.00 0.00 O ATOM 0 H GLY A 60 -6.840 -4.567 8.071 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.560 -7.065 8.748 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.440 -6.235 7.209 1.00 0.00 H new ATOM 870 N LEU A 61 -2.981 -6.509 8.933 1.00 0.00 N ATOM 871 CA LEU A 61 -1.650 -6.090 9.354 1.00 0.00 C ATOM 872 C LEU A 61 -0.461 -6.929 8.894 1.00 0.00 C ATOM 873 O LEU A 61 -0.530 -8.158 8.809 1.00 0.00 O ATOM 874 CB LEU A 61 -1.703 -6.053 10.894 1.00 0.00 C ATOM 875 CG LEU A 61 -0.617 -5.185 11.529 1.00 0.00 C ATOM 876 CD1 LEU A 61 -0.997 -3.710 11.366 1.00 0.00 C ATOM 877 CD2 LEU A 61 -0.493 -5.510 13.020 1.00 0.00 C ATOM 0 H LEU A 61 -3.107 -7.519 8.872 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.452 -5.132 8.873 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.679 -5.682 11.206 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.611 -7.070 11.276 1.00 0.00 H new ATOM 0 HG LEU A 61 0.336 -5.383 11.038 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.227 -3.084 11.817 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.084 -3.472 10.306 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.951 -3.523 11.859 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.283 -4.887 13.465 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.444 -5.314 13.515 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.230 -6.561 13.143 1.00 0.00 H new ATOM 889 N ALA A 62 0.656 -6.212 8.692 1.00 0.00 N ATOM 890 CA ALA A 62 1.930 -6.749 8.321 1.00 0.00 C ATOM 891 C ALA A 62 2.811 -6.374 9.521 1.00 0.00 C ATOM 892 O ALA A 62 3.067 -5.197 9.777 1.00 0.00 O ATOM 893 CB ALA A 62 2.311 -6.195 6.939 1.00 0.00 C ATOM 0 H ALA A 62 0.673 -5.197 8.793 1.00 0.00 H new ATOM 0 HA ALA A 62 2.005 -7.825 8.165 1.00 0.00 H new ATOM 0 HB1 ALA A 62 3.280 -6.595 6.641 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.557 -6.489 6.209 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.366 -5.107 6.986 1.00 0.00 H new ATOM 899 N PHE A 63 3.226 -7.360 10.310 1.00 0.00 N ATOM 900 CA PHE A 63 4.035 -7.171 11.520 1.00 0.00 C ATOM 901 C PHE A 63 5.425 -7.824 11.452 1.00 0.00 C ATOM 902 O PHE A 63 6.369 -7.292 12.027 1.00 0.00 O ATOM 903 CB PHE A 63 3.246 -7.619 12.761 1.00 0.00 C ATOM 904 CG PHE A 63 3.238 -9.118 13.003 1.00 0.00 C ATOM 905 CD1 PHE A 63 2.445 -9.963 12.204 1.00 0.00 C ATOM 906 CD2 PHE A 63 4.072 -9.675 13.993 1.00 0.00 C ATOM 907 CE1 PHE A 63 2.504 -11.357 12.374 1.00 0.00 C ATOM 908 CE2 PHE A 63 4.123 -11.069 14.171 1.00 0.00 C ATOM 909 CZ PHE A 63 3.344 -11.910 13.355 1.00 0.00 C ATOM 0 H PHE A 63 3.006 -8.339 10.125 1.00 0.00 H new ATOM 0 HA PHE A 63 4.238 -6.103 11.598 1.00 0.00 H new ATOM 0 HB2 PHE A 63 3.665 -7.126 13.638 1.00 0.00 H new ATOM 0 HB3 PHE A 63 2.216 -7.275 12.663 1.00 0.00 H new ATOM 0 HD1 PHE A 63 1.789 -9.539 11.458 1.00 0.00 H new ATOM 0 HD2 PHE A 63 4.673 -9.030 14.616 1.00 0.00 H new ATOM 0 HE1 PHE A 63 1.904 -12.003 11.751 1.00 0.00 H new ATOM 0 HE2 PHE A 63 4.759 -11.494 14.933 1.00 0.00 H new ATOM 0 HZ PHE A 63 3.392 -12.981 13.483 1.00 0.00 H new ATOM 919 N ALA A 64 5.575 -8.935 10.732 1.00 0.00 N ATOM 920 CA ALA A 64 6.830 -9.649 10.533 1.00 0.00 C ATOM 921 C ALA A 64 7.429 -9.324 9.155 1.00 0.00 C ATOM 922 O ALA A 64 6.728 -9.308 8.145 1.00 0.00 O ATOM 923 CB ALA A 64 6.576 -11.150 10.709 1.00 0.00 C ATOM 0 H ALA A 64 4.791 -9.378 10.253 1.00 0.00 H new ATOM 0 HA ALA A 64 7.562 -9.329 11.274 1.00 0.00 H new ATOM 0 HB1 ALA A 64 7.508 -11.696 10.563 1.00 0.00 H new ATOM 0 HB2 ALA A 64 6.198 -11.340 11.714 1.00 0.00 H new ATOM 0 HB3 ALA A 64 5.841 -11.483 9.976 1.00 0.00 H new ATOM 929 N ALA A 65 8.742 -9.084 9.122 1.00 0.00 N ATOM 930 CA ALA A 65 9.492 -8.716 7.919 1.00 0.00 C ATOM 931 C ALA A 65 9.319 -9.737 6.786 1.00 0.00 C ATOM 932 O ALA A 65 9.677 -10.907 6.915 1.00 0.00 O ATOM 933 CB ALA A 65 10.962 -8.482 8.291 1.00 0.00 C ATOM 0 H ALA A 65 9.329 -9.142 9.954 1.00 0.00 H new ATOM 0 HA ALA A 65 9.086 -7.785 7.522 1.00 0.00 H new ATOM 0 HB1 ALA A 65 11.524 -8.208 7.398 1.00 0.00 H new ATOM 0 HB2 ALA A 65 11.028 -7.677 9.023 1.00 0.00 H new ATOM 0 HB3 ALA A 65 11.379 -9.395 8.716 1.00 0.00 H new ATOM 939 N GLY A 66 8.760 -9.251 5.673 1.00 0.00 N ATOM 940 CA GLY A 66 8.496 -9.989 4.451 1.00 0.00 C ATOM 941 C GLY A 66 7.037 -10.407 4.287 1.00 0.00 C ATOM 942 O GLY A 66 6.750 -11.088 3.309 1.00 0.00 O ATOM 0 H GLY A 66 8.466 -8.277 5.605 1.00 0.00 H new ATOM 0 HA2 GLY A 66 8.787 -9.376 3.598 1.00 0.00 H new ATOM 0 HA3 GLY A 66 9.124 -10.880 4.433 1.00 0.00 H new ATOM 946 N GLU A 67 6.107 -10.027 5.176 1.00 0.00 N ATOM 947 CA GLU A 67 4.713 -10.485 5.035 1.00 0.00 C ATOM 948 C GLU A 67 3.933 -10.071 3.777 1.00 0.00 C ATOM 949 O GLU A 67 3.526 -10.963 3.030 1.00 0.00 O ATOM 950 CB GLU A 67 3.910 -10.174 6.324 1.00 0.00 C ATOM 951 CG GLU A 67 4.135 -11.264 7.396 1.00 0.00 C ATOM 952 CD GLU A 67 3.408 -11.003 8.731 1.00 0.00 C ATOM 953 OE1 GLU A 67 3.486 -9.849 9.224 1.00 0.00 O ATOM 954 OE2 GLU A 67 2.804 -11.955 9.277 1.00 0.00 O ATOM 0 H GLU A 67 6.284 -9.422 5.978 1.00 0.00 H new ATOM 0 HA GLU A 67 4.823 -11.559 4.885 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.211 -9.204 6.719 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.848 -10.106 6.087 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.804 -12.223 6.997 1.00 0.00 H new ATOM 0 HG3 GLU A 67 5.204 -11.351 7.589 1.00 0.00 H new ATOM 961 N SER A 68 3.714 -8.782 3.498 1.00 0.00 N ATOM 962 CA SER A 68 2.986 -8.315 2.300 1.00 0.00 C ATOM 963 C SER A 68 1.512 -8.675 2.135 1.00 0.00 C ATOM 964 O SER A 68 0.928 -9.433 2.906 1.00 0.00 O ATOM 965 CB SER A 68 3.693 -8.836 1.006 1.00 0.00 C ATOM 966 OG SER A 68 3.137 -10.024 0.471 1.00 0.00 O ATOM 0 H SER A 68 4.037 -8.023 4.098 1.00 0.00 H new ATOM 0 HA SER A 68 3.012 -7.236 2.452 1.00 0.00 H new ATOM 0 HB2 SER A 68 3.652 -8.056 0.246 1.00 0.00 H new ATOM 0 HB3 SER A 68 4.746 -9.010 1.227 1.00 0.00 H new ATOM 0 HG SER A 68 3.127 -10.720 1.161 1.00 0.00 H new ATOM 972 N PHE A 69 0.924 -8.045 1.111 1.00 0.00 N ATOM 973 CA PHE A 69 -0.446 -8.289 0.714 1.00 0.00 C ATOM 974 C PHE A 69 -0.328 -7.862 -0.781 1.00 0.00 C ATOM 975 O PHE A 69 0.354 -6.872 -1.084 1.00 0.00 O ATOM 976 CB PHE A 69 -1.535 -7.433 1.410 1.00 0.00 C ATOM 977 CG PHE A 69 -2.152 -6.278 0.683 1.00 0.00 C ATOM 978 CD1 PHE A 69 -1.485 -5.068 0.510 1.00 0.00 C ATOM 979 CD2 PHE A 69 -3.455 -6.461 0.174 1.00 0.00 C ATOM 980 CE1 PHE A 69 -2.141 -4.044 -0.174 1.00 0.00 C ATOM 981 CE2 PHE A 69 -4.107 -5.423 -0.502 1.00 0.00 C ATOM 982 CZ PHE A 69 -3.447 -4.197 -0.666 1.00 0.00 C ATOM 0 H PHE A 69 1.399 -7.348 0.537 1.00 0.00 H new ATOM 0 HA PHE A 69 -0.772 -9.301 0.954 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -2.343 -8.106 1.697 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -1.102 -7.043 2.332 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -0.486 -4.926 0.895 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -3.954 -7.410 0.307 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -1.629 -3.106 -0.330 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -5.104 -5.565 -0.892 1.00 0.00 H new ATOM 0 HZ PHE A 69 -3.939 -3.377 -1.167 1.00 0.00 H new ATOM 992 N THR A 70 -0.879 -8.587 -1.755 1.00 0.00 N ATOM 993 CA THR A 70 -0.804 -8.136 -3.154 1.00 0.00 C ATOM 994 C THR A 70 -2.173 -7.652 -3.572 1.00 0.00 C ATOM 995 O THR A 70 -3.206 -8.163 -3.125 1.00 0.00 O ATOM 996 CB THR A 70 -0.243 -9.204 -4.110 1.00 0.00 C ATOM 997 OG1 THR A 70 -0.020 -8.634 -5.383 1.00 0.00 O ATOM 998 CG2 THR A 70 -1.109 -10.455 -4.282 1.00 0.00 C ATOM 0 H THR A 70 -1.372 -9.469 -1.612 1.00 0.00 H new ATOM 0 HA THR A 70 -0.089 -7.316 -3.218 1.00 0.00 H new ATOM 0 HB THR A 70 0.681 -9.540 -3.640 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.339 -9.316 -5.989 1.00 0.00 H new ATOM 0 HG21 THR A 70 -0.623 -11.142 -4.975 1.00 0.00 H new ATOM 0 HG22 THR A 70 -1.237 -10.944 -3.316 1.00 0.00 H new ATOM 0 HG23 THR A 70 -2.084 -10.171 -4.677 1.00 0.00 H new ATOM 1006 N SER A 71 -2.143 -6.643 -4.445 1.00 0.00 N ATOM 1007 CA SER A 71 -3.295 -5.968 -4.973 1.00 0.00 C ATOM 1008 C SER A 71 -3.235 -5.976 -6.495 1.00 0.00 C ATOM 1009 O SER A 71 -2.177 -6.107 -7.119 1.00 0.00 O ATOM 1010 CB SER A 71 -3.336 -4.581 -4.330 1.00 0.00 C ATOM 1011 OG SER A 71 -2.147 -3.825 -4.461 1.00 0.00 O ATOM 0 H SER A 71 -1.267 -6.269 -4.810 1.00 0.00 H new ATOM 0 HA SER A 71 -4.234 -6.465 -4.730 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.158 -4.017 -4.771 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.561 -4.695 -3.270 1.00 0.00 H new ATOM 0 HG SER A 71 -1.435 -4.395 -4.820 1.00 0.00 H new ATOM 1017 N THR A 72 -4.408 -5.937 -7.117 1.00 0.00 N ATOM 1018 CA THR A 72 -4.592 -5.952 -8.566 1.00 0.00 C ATOM 1019 C THR A 72 -5.905 -5.236 -8.793 1.00 0.00 C ATOM 1020 O THR A 72 -6.933 -5.672 -8.273 1.00 0.00 O ATOM 1021 CB THR A 72 -4.601 -7.388 -9.113 1.00 0.00 C ATOM 1022 OG1 THR A 72 -3.328 -7.963 -8.920 1.00 0.00 O ATOM 1023 CG2 THR A 72 -4.906 -7.461 -10.611 1.00 0.00 C ATOM 0 H THR A 72 -5.291 -5.892 -6.608 1.00 0.00 H new ATOM 0 HA THR A 72 -3.776 -5.460 -9.096 1.00 0.00 H new ATOM 0 HB THR A 72 -5.387 -7.918 -8.575 1.00 0.00 H new ATOM 0 HG1 THR A 72 -2.775 -7.360 -8.380 1.00 0.00 H new ATOM 0 HG21 THR A 72 -4.897 -8.502 -10.934 1.00 0.00 H new ATOM 0 HG22 THR A 72 -5.888 -7.030 -10.804 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.150 -6.903 -11.164 1.00 0.00 H new ATOM 1031 N PHE A 73 -5.854 -4.121 -9.521 1.00 0.00 N ATOM 1032 CA PHE A 73 -7.010 -3.280 -9.792 1.00 0.00 C ATOM 1033 C PHE A 73 -7.163 -2.680 -11.187 1.00 0.00 C ATOM 1034 O PHE A 73 -6.204 -2.525 -11.948 1.00 0.00 O ATOM 1035 CB PHE A 73 -7.122 -2.278 -8.628 1.00 0.00 C ATOM 1036 CG PHE A 73 -5.925 -1.815 -7.832 1.00 0.00 C ATOM 1037 CD1 PHE A 73 -4.754 -1.304 -8.405 1.00 0.00 C ATOM 1038 CD2 PHE A 73 -6.024 -1.949 -6.434 1.00 0.00 C ATOM 1039 CE1 PHE A 73 -3.686 -0.931 -7.567 1.00 0.00 C ATOM 1040 CE2 PHE A 73 -4.961 -1.588 -5.601 1.00 0.00 C ATOM 1041 CZ PHE A 73 -3.774 -1.104 -6.170 1.00 0.00 C ATOM 0 H PHE A 73 -4.993 -3.775 -9.944 1.00 0.00 H new ATOM 0 HA PHE A 73 -7.882 -3.933 -9.831 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -7.591 -1.382 -9.034 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -7.823 -2.709 -7.913 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -4.671 -1.197 -9.477 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -6.934 -2.336 -5.999 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -2.791 -0.508 -7.998 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -5.053 -1.681 -4.529 1.00 0.00 H new ATOM 0 HZ PHE A 73 -2.930 -0.864 -5.540 1.00 0.00 H new ATOM 1051 N THR A 74 -8.427 -2.320 -11.491 1.00 0.00 N ATOM 1052 CA THR A 74 -8.848 -1.793 -12.793 1.00 0.00 C ATOM 1053 C THR A 74 -9.809 -0.593 -12.956 1.00 0.00 C ATOM 1054 O THR A 74 -10.439 -0.518 -14.012 1.00 0.00 O ATOM 1055 CB THR A 74 -9.351 -3.008 -13.592 1.00 0.00 C ATOM 1056 OG1 THR A 74 -9.411 -2.668 -14.951 1.00 0.00 O ATOM 1057 CG2 THR A 74 -10.722 -3.531 -13.147 1.00 0.00 C ATOM 0 H THR A 74 -9.193 -2.391 -10.822 1.00 0.00 H new ATOM 0 HA THR A 74 -7.951 -1.287 -13.150 1.00 0.00 H new ATOM 0 HB THR A 74 -8.640 -3.813 -13.406 1.00 0.00 H new ATOM 0 HG1 THR A 74 -9.946 -1.854 -15.061 1.00 0.00 H new ATOM 0 HG21 THR A 74 -11.002 -4.387 -13.761 1.00 0.00 H new ATOM 0 HG22 THR A 74 -10.674 -3.835 -12.101 1.00 0.00 H new ATOM 0 HG23 THR A 74 -11.467 -2.743 -13.262 1.00 0.00 H new ATOM 1065 N GLU A 75 -9.973 0.331 -12.012 1.00 0.00 N ATOM 1066 CA GLU A 75 -10.839 1.496 -12.207 1.00 0.00 C ATOM 1067 C GLU A 75 -9.879 2.548 -12.820 1.00 0.00 C ATOM 1068 O GLU A 75 -8.946 2.969 -12.148 1.00 0.00 O ATOM 1069 CB GLU A 75 -11.529 1.907 -10.881 1.00 0.00 C ATOM 1070 CG GLU A 75 -10.893 3.093 -10.142 1.00 0.00 C ATOM 1071 CD GLU A 75 -11.548 3.474 -8.831 1.00 0.00 C ATOM 1072 OE1 GLU A 75 -12.787 3.322 -8.727 1.00 0.00 O ATOM 1073 OE2 GLU A 75 -10.814 3.942 -7.932 1.00 0.00 O ATOM 0 H GLU A 75 -9.517 0.297 -11.100 1.00 0.00 H new ATOM 0 HA GLU A 75 -11.691 1.331 -12.867 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -12.570 2.151 -11.094 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -11.534 1.046 -10.213 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.846 2.859 -9.950 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.910 3.961 -10.802 1.00 0.00 H new ATOM 1080 N PRO A 76 -9.981 2.908 -14.110 1.00 0.00 N ATOM 1081 CA PRO A 76 -9.057 3.857 -14.709 1.00 0.00 C ATOM 1082 C PRO A 76 -9.188 5.231 -14.036 1.00 0.00 C ATOM 1083 O PRO A 76 -10.166 5.950 -14.251 1.00 0.00 O ATOM 1084 CB PRO A 76 -9.336 3.859 -16.209 1.00 0.00 C ATOM 1085 CG PRO A 76 -10.351 2.732 -16.434 1.00 0.00 C ATOM 1086 CD PRO A 76 -10.974 2.484 -15.061 1.00 0.00 C ATOM 0 HA PRO A 76 -8.015 3.577 -14.556 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -9.737 4.819 -16.533 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -8.423 3.686 -16.779 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -11.107 3.021 -17.164 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -9.866 1.834 -16.816 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -11.899 3.048 -14.941 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -11.223 1.431 -14.927 1.00 0.00 H new ATOM 1094 N GLY A 77 -8.219 5.536 -13.163 1.00 0.00 N ATOM 1095 CA GLY A 77 -8.100 6.731 -12.341 1.00 0.00 C ATOM 1096 C GLY A 77 -7.027 6.548 -11.257 1.00 0.00 C ATOM 1097 O GLY A 77 -6.198 5.635 -11.311 1.00 0.00 O ATOM 0 H GLY A 77 -7.439 4.897 -13.006 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -7.846 7.585 -12.969 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -9.060 6.953 -11.874 1.00 0.00 H new ATOM 1101 N THR A 78 -7.064 7.412 -10.237 1.00 0.00 N ATOM 1102 CA THR A 78 -6.096 7.416 -9.142 1.00 0.00 C ATOM 1103 C THR A 78 -6.749 7.290 -7.765 1.00 0.00 C ATOM 1104 O THR A 78 -7.607 8.079 -7.374 1.00 0.00 O ATOM 1105 CB THR A 78 -5.185 8.639 -9.260 1.00 0.00 C ATOM 1106 OG1 THR A 78 -4.350 8.688 -8.133 1.00 0.00 O ATOM 1107 CG2 THR A 78 -5.923 9.978 -9.355 1.00 0.00 C ATOM 0 H THR A 78 -7.777 8.136 -10.150 1.00 0.00 H new ATOM 0 HA THR A 78 -5.479 6.523 -9.235 1.00 0.00 H new ATOM 0 HB THR A 78 -4.635 8.514 -10.193 1.00 0.00 H new ATOM 0 HG1 THR A 78 -4.205 7.780 -7.794 1.00 0.00 H new ATOM 0 HG21 THR A 78 -5.198 10.788 -9.436 1.00 0.00 H new ATOM 0 HG22 THR A 78 -6.566 9.977 -10.235 1.00 0.00 H new ATOM 0 HG23 THR A 78 -6.531 10.123 -8.462 1.00 0.00 H new ATOM 1115 N TYR A 79 -6.245 6.332 -6.982 1.00 0.00 N ATOM 1116 CA TYR A 79 -6.707 5.968 -5.652 1.00 0.00 C ATOM 1117 C TYR A 79 -5.656 6.109 -4.567 1.00 0.00 C ATOM 1118 O TYR A 79 -4.486 5.732 -4.681 1.00 0.00 O ATOM 1119 CB TYR A 79 -7.433 4.583 -5.681 1.00 0.00 C ATOM 1120 CG TYR A 79 -7.099 3.502 -6.703 1.00 0.00 C ATOM 1121 CD1 TYR A 79 -7.292 3.845 -8.057 1.00 0.00 C ATOM 1122 CD2 TYR A 79 -7.140 2.131 -6.358 1.00 0.00 C ATOM 1123 CE1 TYR A 79 -7.530 2.890 -9.036 1.00 0.00 C ATOM 1124 CE2 TYR A 79 -7.462 1.167 -7.333 1.00 0.00 C ATOM 1125 CZ TYR A 79 -7.699 1.551 -8.674 1.00 0.00 C ATOM 1126 OH TYR A 79 -8.254 0.699 -9.575 1.00 0.00 O ATOM 0 H TYR A 79 -5.457 5.759 -7.284 1.00 0.00 H new ATOM 0 HA TYR A 79 -7.451 6.707 -5.355 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -7.290 4.136 -4.697 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -8.498 4.792 -5.785 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -7.253 4.886 -8.342 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -6.924 1.823 -5.346 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -7.584 3.181 -10.075 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -7.529 0.126 -7.055 1.00 0.00 H new ATOM 0 HH TYR A 79 -9.107 0.365 -9.227 1.00 0.00 H new ATOM 1136 N THR A 80 -6.097 6.853 -3.548 1.00 0.00 N ATOM 1137 CA THR A 80 -5.363 7.241 -2.360 1.00 0.00 C ATOM 1138 C THR A 80 -5.381 6.079 -1.385 1.00 0.00 C ATOM 1139 O THR A 80 -6.373 5.357 -1.252 1.00 0.00 O ATOM 1140 CB THR A 80 -6.018 8.457 -1.678 1.00 0.00 C ATOM 1141 OG1 THR A 80 -6.522 9.416 -2.586 1.00 0.00 O ATOM 1142 CG2 THR A 80 -5.028 9.191 -0.772 1.00 0.00 C ATOM 0 H THR A 80 -7.048 7.222 -3.541 1.00 0.00 H new ATOM 0 HA THR A 80 -4.345 7.505 -2.647 1.00 0.00 H new ATOM 0 HB THR A 80 -6.844 8.031 -1.109 1.00 0.00 H new ATOM 0 HG1 THR A 80 -7.482 9.269 -2.718 1.00 0.00 H new ATOM 0 HG21 THR A 80 -5.523 10.043 -0.307 1.00 0.00 H new ATOM 0 HG22 THR A 80 -4.671 8.512 0.002 1.00 0.00 H new ATOM 0 HG23 THR A 80 -4.183 9.542 -1.365 1.00 0.00 H new ATOM 1150 N TYR A 81 -4.277 5.917 -0.664 1.00 0.00 N ATOM 1151 CA TYR A 81 -4.152 4.875 0.340 1.00 0.00 C ATOM 1152 C TYR A 81 -3.170 5.311 1.410 1.00 0.00 C ATOM 1153 O TYR A 81 -2.416 6.273 1.248 1.00 0.00 O ATOM 1154 CB TYR A 81 -3.735 3.559 -0.331 1.00 0.00 C ATOM 1155 CG TYR A 81 -2.336 3.637 -0.892 1.00 0.00 C ATOM 1156 CD1 TYR A 81 -2.103 4.265 -2.132 1.00 0.00 C ATOM 1157 CD2 TYR A 81 -1.261 3.213 -0.093 1.00 0.00 C ATOM 1158 CE1 TYR A 81 -0.783 4.549 -2.519 1.00 0.00 C ATOM 1159 CE2 TYR A 81 0.055 3.461 -0.505 1.00 0.00 C ATOM 1160 CZ TYR A 81 0.293 4.162 -1.703 1.00 0.00 C ATOM 1161 OH TYR A 81 1.558 4.449 -2.093 1.00 0.00 O ATOM 0 H TYR A 81 -3.448 6.504 -0.761 1.00 0.00 H new ATOM 0 HA TYR A 81 -5.112 4.705 0.827 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -3.792 2.747 0.394 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -4.435 3.321 -1.132 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.929 4.525 -2.777 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -1.449 2.697 0.837 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -0.594 5.067 -3.448 1.00 0.00 H new ATOM 0 HE2 TYR A 81 0.884 3.116 0.094 1.00 0.00 H new ATOM 0 HH TYR A 81 1.605 5.382 -2.390 1.00 0.00 H new ATOM 1171 N TYR A 82 -3.180 4.585 2.527 1.00 0.00 N ATOM 1172 CA TYR A 82 -2.341 4.871 3.686 1.00 0.00 C ATOM 1173 C TYR A 82 -2.269 3.668 4.640 1.00 0.00 C ATOM 1174 O TYR A 82 -2.928 2.648 4.426 1.00 0.00 O ATOM 1175 CB TYR A 82 -2.918 6.100 4.424 1.00 0.00 C ATOM 1176 CG TYR A 82 -4.315 5.938 4.990 1.00 0.00 C ATOM 1177 CD1 TYR A 82 -5.468 6.067 4.181 1.00 0.00 C ATOM 1178 CD2 TYR A 82 -4.448 5.657 6.358 1.00 0.00 C ATOM 1179 CE1 TYR A 82 -6.747 5.864 4.734 1.00 0.00 C ATOM 1180 CE2 TYR A 82 -5.718 5.480 6.918 1.00 0.00 C ATOM 1181 CZ TYR A 82 -6.867 5.548 6.105 1.00 0.00 C ATOM 1182 OH TYR A 82 -8.071 5.229 6.644 1.00 0.00 O ATOM 0 H TYR A 82 -3.781 3.770 2.652 1.00 0.00 H new ATOM 0 HA TYR A 82 -1.327 5.077 3.344 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -2.244 6.358 5.241 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -2.922 6.944 3.735 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -5.367 6.322 3.136 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -3.569 5.577 6.980 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -7.628 5.949 4.115 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -5.818 5.291 7.977 1.00 0.00 H new ATOM 0 HH TYR A 82 -7.940 4.618 7.399 1.00 0.00 H new ATOM 1192 N CYS A 83 -1.446 3.802 5.677 1.00 0.00 N ATOM 1193 CA CYS A 83 -1.273 2.804 6.729 1.00 0.00 C ATOM 1194 C CYS A 83 -1.909 3.372 8.002 1.00 0.00 C ATOM 1195 O CYS A 83 -1.420 4.374 8.520 1.00 0.00 O ATOM 1196 CB CYS A 83 0.215 2.534 6.932 1.00 0.00 C ATOM 1197 SG CYS A 83 0.676 1.554 8.377 1.00 0.00 S ATOM 0 H CYS A 83 -0.866 4.630 5.812 1.00 0.00 H new ATOM 0 HA CYS A 83 -1.749 1.859 6.467 1.00 0.00 H new ATOM 0 HB2 CYS A 83 0.592 2.027 6.044 1.00 0.00 H new ATOM 0 HB3 CYS A 83 0.729 3.493 6.994 1.00 0.00 H new ATOM 0 HG CYS A 83 1.970 1.552 8.505 1.00 0.00 H new ATOM 1202 N GLU A 84 -2.964 2.756 8.541 1.00 0.00 N ATOM 1203 CA GLU A 84 -3.657 3.227 9.755 1.00 0.00 C ATOM 1204 C GLU A 84 -2.733 3.711 10.899 1.00 0.00 C ATOM 1205 O GLU A 84 -2.738 4.910 11.189 1.00 0.00 O ATOM 1206 CB GLU A 84 -4.657 2.163 10.265 1.00 0.00 C ATOM 1207 CG GLU A 84 -5.976 2.090 9.485 1.00 0.00 C ATOM 1208 CD GLU A 84 -6.788 3.387 9.534 1.00 0.00 C ATOM 1209 OE1 GLU A 84 -6.575 4.227 10.431 1.00 0.00 O ATOM 1210 OE2 GLU A 84 -7.630 3.618 8.631 1.00 0.00 O ATOM 0 H GLU A 84 -3.370 1.907 8.147 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.197 4.120 9.439 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -4.176 1.186 10.228 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.882 2.369 11.312 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -5.761 1.845 8.445 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -6.581 1.277 9.886 1.00 0.00 H new ATOM 1217 N PRO A 85 -1.878 2.861 11.510 1.00 0.00 N ATOM 1218 CA PRO A 85 -1.014 3.250 12.628 1.00 0.00 C ATOM 1219 C PRO A 85 0.062 4.293 12.314 1.00 0.00 C ATOM 1220 O PRO A 85 0.775 4.705 13.220 1.00 0.00 O ATOM 1221 CB PRO A 85 -0.389 1.945 13.127 1.00 0.00 C ATOM 1222 CG PRO A 85 -0.343 1.071 11.882 1.00 0.00 C ATOM 1223 CD PRO A 85 -1.641 1.461 11.178 1.00 0.00 C ATOM 0 HA PRO A 85 -1.622 3.759 13.376 1.00 0.00 H new ATOM 0 HB2 PRO A 85 0.607 2.109 13.539 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -0.988 1.489 13.915 1.00 0.00 H new ATOM 0 HG2 PRO A 85 0.533 1.279 11.268 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -0.315 0.010 12.128 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -1.555 1.326 10.100 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -2.469 0.836 11.513 1.00 0.00 H new ATOM 1231 N HIS A 86 0.223 4.726 11.064 1.00 0.00 N ATOM 1232 CA HIS A 86 1.215 5.741 10.690 1.00 0.00 C ATOM 1233 C HIS A 86 0.624 6.878 9.825 1.00 0.00 C ATOM 1234 O HIS A 86 1.363 7.725 9.307 1.00 0.00 O ATOM 1235 CB HIS A 86 2.423 5.026 10.066 1.00 0.00 C ATOM 1236 CG HIS A 86 3.266 4.243 11.048 1.00 0.00 C ATOM 1237 ND1 HIS A 86 3.486 2.879 11.051 1.00 0.00 N ATOM 1238 CD2 HIS A 86 4.038 4.789 12.038 1.00 0.00 C ATOM 1239 CE1 HIS A 86 4.387 2.620 12.020 1.00 0.00 C ATOM 1240 NE2 HIS A 86 4.744 3.754 12.648 1.00 0.00 N ATOM 0 H HIS A 86 -0.331 4.384 10.279 1.00 0.00 H new ATOM 0 HA HIS A 86 1.556 6.269 11.581 1.00 0.00 H new ATOM 0 HB2 HIS A 86 2.067 4.347 9.291 1.00 0.00 H new ATOM 0 HB3 HIS A 86 3.054 5.767 9.575 1.00 0.00 H new ATOM 0 HD2 HIS A 86 4.090 5.836 12.300 1.00 0.00 H new ATOM 0 HE1 HIS A 86 4.769 1.638 12.259 1.00 0.00 H new ATOM 0 HE2 HIS A 86 5.404 3.840 13.421 1.00 0.00 H new ATOM 1248 N ARG A 87 -0.717 6.940 9.741 1.00 0.00 N ATOM 1249 CA ARG A 87 -1.508 7.894 8.949 1.00 0.00 C ATOM 1250 C ARG A 87 -1.171 9.380 9.185 1.00 0.00 C ATOM 1251 O ARG A 87 -1.335 10.179 8.270 1.00 0.00 O ATOM 1252 CB ARG A 87 -3.014 7.595 9.205 1.00 0.00 C ATOM 1253 CG ARG A 87 -3.574 8.216 10.511 1.00 0.00 C ATOM 1254 CD ARG A 87 -4.615 7.442 11.346 1.00 0.00 C ATOM 1255 NE ARG A 87 -5.704 6.791 10.596 1.00 0.00 N ATOM 1256 CZ ARG A 87 -6.799 7.339 10.090 1.00 0.00 C ATOM 1257 NH1 ARG A 87 -6.974 8.641 10.009 1.00 0.00 N ATOM 1258 NH2 ARG A 87 -7.742 6.528 9.680 1.00 0.00 N ATOM 0 H ARG A 87 -1.310 6.288 10.254 1.00 0.00 H new ATOM 0 HA ARG A 87 -1.250 7.743 7.901 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -3.595 7.967 8.361 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -3.157 6.515 9.239 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -2.725 8.423 11.162 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -4.017 9.177 10.250 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -4.092 6.678 11.921 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -5.059 8.132 12.063 1.00 0.00 H new ATOM 0 HE ARG A 87 -5.601 5.787 10.447 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -6.249 9.275 10.344 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -7.835 9.016 9.611 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -7.616 5.519 9.757 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -8.603 6.906 9.283 1.00 0.00 H new ATOM 1272 N GLY A 88 -0.692 9.737 10.387 1.00 0.00 N ATOM 1273 CA GLY A 88 -0.292 11.098 10.811 1.00 0.00 C ATOM 1274 C GLY A 88 1.228 11.332 10.882 1.00 0.00 C ATOM 1275 O GLY A 88 1.679 12.450 11.135 1.00 0.00 O ATOM 0 H GLY A 88 -0.565 9.052 11.132 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -0.725 11.821 10.119 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -0.722 11.299 11.792 1.00 0.00 H new ATOM 1279 N ALA A 89 1.993 10.251 10.671 1.00 0.00 N ATOM 1280 CA ALA A 89 3.451 10.175 10.629 1.00 0.00 C ATOM 1281 C ALA A 89 3.962 10.199 9.175 1.00 0.00 C ATOM 1282 O ALA A 89 5.167 10.240 8.944 1.00 0.00 O ATOM 1283 CB ALA A 89 3.899 8.910 11.374 1.00 0.00 C ATOM 0 H ALA A 89 1.569 9.337 10.513 1.00 0.00 H new ATOM 0 HA ALA A 89 3.882 11.046 11.123 1.00 0.00 H new ATOM 0 HB1 ALA A 89 4.987 8.840 11.351 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.560 8.958 12.409 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.469 8.032 10.892 1.00 0.00 H new ATOM 1289 N GLY A 90 3.049 10.163 8.191 1.00 0.00 N ATOM 1290 CA GLY A 90 3.380 10.233 6.773 1.00 0.00 C ATOM 1291 C GLY A 90 3.225 8.934 5.991 1.00 0.00 C ATOM 1292 O GLY A 90 3.587 8.922 4.813 1.00 0.00 O ATOM 0 H GLY A 90 2.048 10.083 8.369 1.00 0.00 H new ATOM 0 HA2 GLY A 90 2.750 10.992 6.309 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.411 10.573 6.676 1.00 0.00 H new ATOM 1296 N MET A 91 2.708 7.846 6.582 1.00 0.00 N ATOM 1297 CA MET A 91 2.569 6.600 5.827 1.00 0.00 C ATOM 1298 C MET A 91 1.280 6.613 4.993 1.00 0.00 C ATOM 1299 O MET A 91 0.365 5.816 5.170 1.00 0.00 O ATOM 1300 CB MET A 91 2.689 5.387 6.748 1.00 0.00 C ATOM 1301 CG MET A 91 3.077 4.156 5.909 1.00 0.00 C ATOM 1302 SD MET A 91 3.791 2.775 6.838 1.00 0.00 S ATOM 1303 CE MET A 91 4.145 1.652 5.461 1.00 0.00 C ATOM 0 H MET A 91 2.389 7.805 7.550 1.00 0.00 H new ATOM 0 HA MET A 91 3.391 6.519 5.116 1.00 0.00 H new ATOM 0 HB2 MET A 91 3.440 5.571 7.516 1.00 0.00 H new ATOM 0 HB3 MET A 91 1.744 5.210 7.262 1.00 0.00 H new ATOM 0 HG2 MET A 91 2.189 3.800 5.386 1.00 0.00 H new ATOM 0 HG3 MET A 91 3.792 4.467 5.147 1.00 0.00 H new ATOM 0 HE1 MET A 91 4.674 0.775 5.834 1.00 0.00 H new ATOM 0 HE2 MET A 91 3.210 1.341 4.995 1.00 0.00 H new ATOM 0 HE3 MET A 91 4.765 2.163 4.724 1.00 0.00 H new ATOM 1313 N VAL A 92 1.220 7.547 4.045 1.00 0.00 N ATOM 1314 CA VAL A 92 0.142 7.867 3.112 1.00 0.00 C ATOM 1315 C VAL A 92 0.728 8.067 1.707 1.00 0.00 C ATOM 1316 O VAL A 92 1.843 8.565 1.546 1.00 0.00 O ATOM 1317 CB VAL A 92 -0.651 9.083 3.645 1.00 0.00 C ATOM 1318 CG1 VAL A 92 0.189 10.355 3.821 1.00 0.00 C ATOM 1319 CG2 VAL A 92 -1.841 9.457 2.745 1.00 0.00 C ATOM 0 H VAL A 92 2.016 8.167 3.896 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.571 7.047 3.032 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.994 8.741 4.621 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.443 11.159 4.198 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.995 10.164 4.530 1.00 0.00 H new ATOM 0 HG13 VAL A 92 0.613 10.647 2.860 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -2.361 10.317 3.168 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.479 9.706 1.748 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.528 8.613 2.681 1.00 0.00 H new ATOM 1329 N GLY A 93 -0.022 7.650 0.680 1.00 0.00 N ATOM 1330 CA GLY A 93 0.387 7.710 -0.728 1.00 0.00 C ATOM 1331 C GLY A 93 -0.788 7.750 -1.717 1.00 0.00 C ATOM 1332 O GLY A 93 -1.964 7.784 -1.323 1.00 0.00 O ATOM 0 H GLY A 93 -0.952 7.252 0.808 1.00 0.00 H new ATOM 0 HA2 GLY A 93 1.006 8.594 -0.879 1.00 0.00 H new ATOM 0 HA3 GLY A 93 1.009 6.843 -0.953 1.00 0.00 H new ATOM 1336 N LYS A 94 -0.444 7.719 -3.021 1.00 0.00 N ATOM 1337 CA LYS A 94 -1.386 7.791 -4.155 1.00 0.00 C ATOM 1338 C LYS A 94 -0.988 6.910 -5.363 1.00 0.00 C ATOM 1339 O LYS A 94 0.041 7.121 -6.000 1.00 0.00 O ATOM 1340 CB LYS A 94 -1.541 9.269 -4.554 1.00 0.00 C ATOM 1341 CG LYS A 94 -2.705 9.530 -5.522 1.00 0.00 C ATOM 1342 CD LYS A 94 -4.090 9.309 -4.904 1.00 0.00 C ATOM 1343 CE LYS A 94 -5.156 10.208 -5.540 1.00 0.00 C ATOM 1344 NZ LYS A 94 -6.526 9.662 -5.405 1.00 0.00 N ATOM 0 H LYS A 94 0.527 7.641 -3.322 1.00 0.00 H new ATOM 0 HA LYS A 94 -2.341 7.380 -3.828 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.689 9.865 -3.654 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.614 9.611 -5.014 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -2.640 10.556 -5.885 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -2.597 8.878 -6.389 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -4.378 8.265 -5.025 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -4.044 9.505 -3.833 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -5.116 11.194 -5.077 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -4.927 10.343 -6.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -7.219 10.416 -5.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -6.664 8.895 -6.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -6.658 9.290 -4.443 1.00 0.00 H new ATOM 1358 N VAL A 95 -1.818 5.908 -5.671 1.00 0.00 N ATOM 1359 CA VAL A 95 -1.702 4.961 -6.785 1.00 0.00 C ATOM 1360 C VAL A 95 -2.421 5.560 -7.970 1.00 0.00 C ATOM 1361 O VAL A 95 -3.461 6.215 -7.810 1.00 0.00 O ATOM 1362 CB VAL A 95 -2.407 3.621 -6.453 1.00 0.00 C ATOM 1363 CG1 VAL A 95 -2.761 2.732 -7.644 1.00 0.00 C ATOM 1364 CG2 VAL A 95 -1.551 2.758 -5.521 1.00 0.00 C ATOM 0 H VAL A 95 -2.648 5.724 -5.108 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.646 4.775 -6.982 1.00 0.00 H new ATOM 0 HB VAL A 95 -3.338 3.955 -5.994 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.249 1.825 -7.288 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -3.435 3.269 -8.311 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -1.852 2.467 -8.183 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.073 1.825 -5.307 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.598 2.538 -6.002 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.372 3.295 -4.590 1.00 0.00 H new ATOM 1374 N VAL A 96 -1.910 5.264 -9.164 1.00 0.00 N ATOM 1375 CA VAL A 96 -2.507 5.703 -10.400 1.00 0.00 C ATOM 1376 C VAL A 96 -2.595 4.468 -11.269 1.00 0.00 C ATOM 1377 O VAL A 96 -1.573 3.830 -11.520 1.00 0.00 O ATOM 1378 CB VAL A 96 -1.685 6.814 -11.063 1.00 0.00 C ATOM 1379 CG1 VAL A 96 -2.398 7.306 -12.330 1.00 0.00 C ATOM 1380 CG2 VAL A 96 -1.404 8.027 -10.164 1.00 0.00 C ATOM 0 H VAL A 96 -1.064 4.708 -9.289 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.492 6.140 -10.235 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.721 6.359 -11.290 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -1.808 8.095 -12.796 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.511 6.477 -13.029 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.381 7.695 -12.066 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -0.817 8.761 -10.716 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -2.347 8.476 -9.853 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.847 7.706 -9.283 1.00 0.00 H new ATOM 1390 N VAL A 97 -3.813 4.108 -11.675 1.00 0.00 N ATOM 1391 CA VAL A 97 -4.073 2.977 -12.554 1.00 0.00 C ATOM 1392 C VAL A 97 -4.857 3.424 -13.779 1.00 0.00 C ATOM 1393 O VAL A 97 -5.999 3.839 -13.664 1.00 0.00 O ATOM 1394 CB VAL A 97 -4.758 1.782 -11.842 1.00 0.00 C ATOM 1395 CG1 VAL A 97 -4.478 1.728 -10.342 1.00 0.00 C ATOM 1396 CG2 VAL A 97 -6.239 1.509 -12.049 1.00 0.00 C ATOM 0 H VAL A 97 -4.658 4.605 -11.395 1.00 0.00 H new ATOM 0 HA VAL A 97 -3.101 2.603 -12.876 1.00 0.00 H new ATOM 0 HB VAL A 97 -4.259 0.987 -12.396 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -4.988 0.868 -9.907 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.405 1.636 -10.175 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -4.842 2.641 -9.871 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -6.532 0.634 -11.469 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.818 2.372 -11.720 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -6.431 1.325 -13.106 1.00 0.00 H new ATOM 1406 N GLU A 98 -4.200 3.333 -14.941 1.00 0.00 N ATOM 1407 CA GLU A 98 -4.562 3.599 -16.344 1.00 0.00 C ATOM 1408 C GLU A 98 -3.409 4.068 -17.227 1.00 0.00 C ATOM 1409 O GLU A 98 -3.468 3.670 -18.417 1.00 0.00 O ATOM 1410 CB GLU A 98 -5.746 4.576 -16.507 1.00 0.00 C ATOM 1411 CG GLU A 98 -5.448 6.007 -16.017 1.00 0.00 C ATOM 1412 CD GLU A 98 -6.685 6.900 -15.844 1.00 0.00 C ATOM 1413 OE1 GLU A 98 -7.719 6.622 -16.498 1.00 0.00 O ATOM 1414 OE2 GLU A 98 -6.579 7.863 -15.046 1.00 0.00 O ATOM 1415 OXT GLU A 98 -2.492 4.737 -16.708 1.00 0.00 O ATOM 0 H GLU A 98 -3.231 3.015 -14.911 1.00 0.00 H new ATOM 0 HA GLU A 98 -4.866 2.612 -16.692 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.030 4.615 -17.559 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -6.604 4.186 -15.959 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -4.924 5.947 -15.063 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -4.769 6.484 -16.724 1.00 0.00 H new