USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 828 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 33 THR OG1 : rot 26:sc= 1.47 USER MOD Set 1.2: A 59 TYR OH : rot -146:sc= 1.03 USER MOD Set 2.1: A 9 CYS SG : rot -175:sc= -1.03 USER MOD Set 2.2: A 62 HIS : no HE2:sc= -0.801 K(o=-1.8,f=-4!) USER MOD Single : A 1 GLY N :NH3+ -113:sc= 0.0512 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.193 K(o=-0.19,f=-2.2!) USER MOD Single : A 18 LYS NZ :NH3+ 151:sc= 0.446 (180deg=0.13) USER MOD Single : A 19 MET CE :methyl 150:sc= -0.403 (180deg=-1.48!) USER MOD Single : A 20 LYS NZ :NH3+ 172:sc= 0.616 (180deg=0.578) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 49:sc= 1.26 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -168:sc= -0.0112 (180deg=-0.164) USER MOD Single : A 51 ASN : amide:sc= -2.74! C(o=-2.7!,f=-4.7!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl -132:sc= -0.692 (180deg=-2.6!) USER MOD Single : A 71 LYS NZ :NH3+ -179:sc= 0.904 (180deg=0.901) USER MOD Single : A 73 MET CE :methyl -123:sc= -0.962 (180deg=-1.89!) USER MOD Single : A 78 GLN : amide:sc=-0.00387 X(o=-0.0039,f=0) USER MOD Single : A 82 HIS : no HD1:sc= -0.586 X(o=-0.59,f=-0.27) USER MOD Single : A 83 GLN : amide:sc= -0.0102 K(o=-0.01,f=-1) USER MOD Single : A 100 MET CE :methyl 150:sc= -0.117 (180deg=-1.12) USER MOD Single : A 102 THR OG1 : rot 180:sc= -0.363! USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.441 9.748 2.818 1.00 0.00 N ATOM 2 CA GLY A 1 -11.882 9.153 4.018 1.00 0.00 C ATOM 3 C GLY A 1 -11.921 10.095 5.205 1.00 0.00 C ATOM 4 O GLY A 1 -12.005 11.312 5.037 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.318 9.252 2.561 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.649 10.752 2.993 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.757 9.667 2.039 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.434 8.245 4.261 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.850 8.857 3.827 1.00 0.00 H new ATOM 8 N SER A 2 -11.862 9.532 6.407 1.00 0.00 N ATOM 9 CA SER A 2 -11.897 10.330 7.627 1.00 0.00 C ATOM 10 C SER A 2 -11.081 11.609 7.463 1.00 0.00 C ATOM 11 O SER A 2 -9.905 11.566 7.103 1.00 0.00 O ATOM 12 CB SER A 2 -11.361 9.518 8.808 1.00 0.00 C ATOM 13 OG SER A 2 -12.138 8.352 9.019 1.00 0.00 O ATOM 0 H SER A 2 -11.790 8.527 6.562 1.00 0.00 H new ATOM 0 HA SER A 2 -12.934 10.603 7.823 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.324 9.239 8.621 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.368 10.132 9.709 1.00 0.00 H new ATOM 0 HG SER A 2 -11.774 7.849 9.778 1.00 0.00 H new ATOM 19 N SER A 3 -11.715 12.746 7.731 1.00 0.00 N ATOM 20 CA SER A 3 -11.051 14.039 7.609 1.00 0.00 C ATOM 21 C SER A 3 -10.440 14.463 8.942 1.00 0.00 C ATOM 22 O SER A 3 -10.806 13.948 9.997 1.00 0.00 O ATOM 23 CB SER A 3 -12.041 15.101 7.128 1.00 0.00 C ATOM 24 OG SER A 3 -13.088 15.285 8.065 1.00 0.00 O ATOM 0 H SER A 3 -12.688 12.798 8.034 1.00 0.00 H new ATOM 0 HA SER A 3 -10.250 13.941 6.876 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.519 16.045 6.972 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.458 14.804 6.166 1.00 0.00 H new ATOM 0 HG SER A 3 -13.706 15.970 7.735 1.00 0.00 H new ATOM 30 N GLY A 4 -9.505 15.406 8.883 1.00 0.00 N ATOM 31 CA GLY A 4 -8.857 15.884 10.091 1.00 0.00 C ATOM 32 C GLY A 4 -7.387 15.520 10.143 1.00 0.00 C ATOM 33 O GLY A 4 -6.672 15.651 9.149 1.00 0.00 O ATOM 0 H GLY A 4 -9.185 15.847 8.021 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.962 16.967 10.152 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.363 15.465 10.961 1.00 0.00 H new ATOM 37 N SER A 5 -6.932 15.063 11.305 1.00 0.00 N ATOM 38 CA SER A 5 -5.536 14.684 11.485 1.00 0.00 C ATOM 39 C SER A 5 -5.268 13.302 10.897 1.00 0.00 C ATOM 40 O SER A 5 -5.735 12.291 11.421 1.00 0.00 O ATOM 41 CB SER A 5 -5.168 14.699 12.970 1.00 0.00 C ATOM 42 OG SER A 5 -3.768 14.827 13.147 1.00 0.00 O ATOM 0 H SER A 5 -7.511 14.946 12.137 1.00 0.00 H new ATOM 0 HA SER A 5 -4.918 15.410 10.958 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.677 15.525 13.466 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.515 13.780 13.443 1.00 0.00 H new ATOM 0 HG SER A 5 -3.559 14.836 14.104 1.00 0.00 H new ATOM 48 N SER A 6 -4.512 13.267 9.804 1.00 0.00 N ATOM 49 CA SER A 6 -4.184 12.010 9.141 1.00 0.00 C ATOM 50 C SER A 6 -2.690 11.718 9.239 1.00 0.00 C ATOM 51 O SER A 6 -1.859 12.538 8.850 1.00 0.00 O ATOM 52 CB SER A 6 -4.611 12.057 7.673 1.00 0.00 C ATOM 53 OG SER A 6 -4.663 10.756 7.115 1.00 0.00 O ATOM 0 H SER A 6 -4.115 14.095 9.359 1.00 0.00 H new ATOM 0 HA SER A 6 -4.727 11.210 9.644 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.589 12.531 7.591 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.911 12.671 7.107 1.00 0.00 H new ATOM 0 HG SER A 6 -4.940 10.813 6.177 1.00 0.00 H new ATOM 59 N GLY A 7 -2.356 10.542 9.761 1.00 0.00 N ATOM 60 CA GLY A 7 -0.962 10.161 9.901 1.00 0.00 C ATOM 61 C GLY A 7 -0.398 9.551 8.633 1.00 0.00 C ATOM 62 O GLY A 7 -0.559 10.103 7.546 1.00 0.00 O ATOM 0 H GLY A 7 -3.025 9.846 10.090 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.374 11.038 10.171 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.864 9.447 10.719 1.00 0.00 H new ATOM 66 N ASN A 8 0.267 8.409 8.774 1.00 0.00 N ATOM 67 CA ASN A 8 0.860 7.725 7.630 1.00 0.00 C ATOM 68 C ASN A 8 -0.217 7.075 6.767 1.00 0.00 C ATOM 69 O ASN A 8 -1.240 6.614 7.275 1.00 0.00 O ATOM 70 CB ASN A 8 1.857 6.666 8.104 1.00 0.00 C ATOM 71 CG ASN A 8 3.245 7.236 8.324 1.00 0.00 C ATOM 72 OD1 ASN A 8 3.585 8.293 7.793 1.00 0.00 O ATOM 73 ND2 ASN A 8 4.054 6.536 9.111 1.00 0.00 N ATOM 0 H ASN A 8 0.409 7.938 9.668 1.00 0.00 H new ATOM 0 HA ASN A 8 1.386 8.466 7.027 1.00 0.00 H new ATOM 0 HB2 ASN A 8 1.498 6.223 9.033 1.00 0.00 H new ATOM 0 HB3 ASN A 8 1.909 5.864 7.367 1.00 0.00 H new ATOM 0 HD21 ASN A 8 5.000 6.870 9.296 1.00 0.00 H new ATOM 0 HD22 ASN A 8 3.729 5.665 9.530 1.00 0.00 H new ATOM 80 N CYS A 9 0.020 7.041 5.461 1.00 0.00 N ATOM 81 CA CYS A 9 -0.930 6.447 4.526 1.00 0.00 C ATOM 82 C CYS A 9 -0.302 5.270 3.788 1.00 0.00 C ATOM 83 O CYS A 9 0.682 5.430 3.066 1.00 0.00 O ATOM 84 CB CYS A 9 -1.412 7.496 3.522 1.00 0.00 C ATOM 85 SG CYS A 9 -3.059 7.171 2.850 1.00 0.00 S ATOM 0 H CYS A 9 0.862 7.418 5.025 1.00 0.00 H new ATOM 0 HA CYS A 9 -1.784 6.081 5.096 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.415 8.473 4.006 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -0.699 7.550 2.699 1.00 0.00 H new ATOM 0 HG CYS A 9 -3.335 8.051 1.933 1.00 0.00 H new ATOM 91 N ARG A 10 -0.877 4.086 3.975 1.00 0.00 N ATOM 92 CA ARG A 10 -0.372 2.881 3.329 1.00 0.00 C ATOM 93 C ARG A 10 -1.511 2.084 2.699 1.00 0.00 C ATOM 94 O ARG A 10 -2.562 1.891 3.312 1.00 0.00 O ATOM 95 CB ARG A 10 0.376 2.009 4.340 1.00 0.00 C ATOM 96 CG ARG A 10 1.831 2.405 4.526 1.00 0.00 C ATOM 97 CD ARG A 10 2.534 1.494 5.521 1.00 0.00 C ATOM 98 NE ARG A 10 2.142 1.781 6.898 1.00 0.00 N ATOM 99 CZ ARG A 10 2.281 0.916 7.897 1.00 0.00 C ATOM 100 NH1 ARG A 10 2.800 -0.283 7.673 1.00 0.00 N ATOM 101 NH2 ARG A 10 1.900 1.251 9.123 1.00 0.00 N ATOM 0 H ARG A 10 -1.693 3.936 4.569 1.00 0.00 H new ATOM 0 HA ARG A 10 0.317 3.184 2.541 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -0.133 2.065 5.302 1.00 0.00 H new ATOM 0 HB3 ARG A 10 0.330 0.970 4.015 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.346 2.363 3.566 1.00 0.00 H new ATOM 0 HG3 ARG A 10 1.887 3.437 4.873 1.00 0.00 H new ATOM 0 HD2 ARG A 10 2.302 0.455 5.287 1.00 0.00 H new ATOM 0 HD3 ARG A 10 3.613 1.611 5.420 1.00 0.00 H new ATOM 0 HE ARG A 10 1.740 2.695 7.104 1.00 0.00 H new ATOM 0 HH11 ARG A 10 3.094 -0.544 6.732 1.00 0.00 H new ATOM 0 HH12 ARG A 10 2.905 -0.945 8.442 1.00 0.00 H new ATOM 0 HH21 ARG A 10 1.500 2.173 9.299 1.00 0.00 H new ATOM 0 HH22 ARG A 10 2.007 0.587 9.890 1.00 0.00 H new ATOM 115 N LEU A 11 -1.295 1.624 1.472 1.00 0.00 N ATOM 116 CA LEU A 11 -2.303 0.848 0.757 1.00 0.00 C ATOM 117 C LEU A 11 -2.046 -0.648 0.907 1.00 0.00 C ATOM 118 O LEU A 11 -0.900 -1.097 0.880 1.00 0.00 O ATOM 119 CB LEU A 11 -2.314 1.230 -0.724 1.00 0.00 C ATOM 120 CG LEU A 11 -2.849 2.623 -1.054 1.00 0.00 C ATOM 121 CD1 LEU A 11 -3.014 2.789 -2.557 1.00 0.00 C ATOM 122 CD2 LEU A 11 -4.171 2.870 -0.341 1.00 0.00 C ATOM 0 H LEU A 11 -0.431 1.775 0.951 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.277 1.076 1.191 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -1.296 1.154 -1.106 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.912 0.496 -1.263 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.127 3.361 -0.704 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.396 3.787 -2.773 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.049 2.656 -3.046 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.716 2.043 -2.931 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.537 3.867 -0.588 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.901 2.126 -0.660 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.023 2.794 0.736 1.00 0.00 H new ATOM 134 N PHE A 12 -3.120 -1.415 1.063 1.00 0.00 N ATOM 135 CA PHE A 12 -3.011 -2.861 1.216 1.00 0.00 C ATOM 136 C PHE A 12 -3.004 -3.553 -0.144 1.00 0.00 C ATOM 137 O PHE A 12 -4.050 -3.717 -0.774 1.00 0.00 O ATOM 138 CB PHE A 12 -4.167 -3.394 2.066 1.00 0.00 C ATOM 139 CG PHE A 12 -4.114 -4.879 2.285 1.00 0.00 C ATOM 140 CD1 PHE A 12 -4.644 -5.750 1.346 1.00 0.00 C ATOM 141 CD2 PHE A 12 -3.535 -5.404 3.429 1.00 0.00 C ATOM 142 CE1 PHE A 12 -4.598 -7.117 1.546 1.00 0.00 C ATOM 143 CE2 PHE A 12 -3.486 -6.770 3.634 1.00 0.00 C ATOM 144 CZ PHE A 12 -4.017 -7.627 2.691 1.00 0.00 C ATOM 0 H PHE A 12 -4.076 -1.059 1.087 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.069 -3.078 1.719 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -4.158 -2.891 3.033 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -5.110 -3.139 1.583 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -5.098 -5.356 0.448 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.117 -4.738 4.169 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -5.016 -7.786 0.808 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.033 -7.166 4.531 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.978 -8.695 2.848 1.00 0.00 H new ATOM 154 N ILE A 13 -1.819 -3.954 -0.591 1.00 0.00 N ATOM 155 CA ILE A 13 -1.676 -4.628 -1.876 1.00 0.00 C ATOM 156 C ILE A 13 -1.577 -6.139 -1.696 1.00 0.00 C ATOM 157 O ILE A 13 -0.542 -6.659 -1.280 1.00 0.00 O ATOM 158 CB ILE A 13 -0.433 -4.130 -2.637 1.00 0.00 C ATOM 159 CG1 ILE A 13 -0.332 -2.606 -2.551 1.00 0.00 C ATOM 160 CG2 ILE A 13 -0.486 -4.582 -4.089 1.00 0.00 C ATOM 161 CD1 ILE A 13 -1.521 -1.887 -3.150 1.00 0.00 C ATOM 0 H ILE A 13 -0.944 -3.824 -0.083 1.00 0.00 H new ATOM 0 HA ILE A 13 -2.567 -4.392 -2.458 1.00 0.00 H new ATOM 0 HB ILE A 13 0.455 -4.560 -2.175 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -0.231 -2.315 -1.505 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.574 -2.281 -3.062 1.00 0.00 H new ATOM 0 HG21 ILE A 13 0.399 -4.223 -4.614 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.515 -5.671 -4.130 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.379 -4.177 -4.564 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.381 -0.810 -3.054 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.611 -2.149 -4.204 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.428 -2.184 -2.624 1.00 0.00 H new ATOM 173 N GLY A 14 -2.661 -6.840 -2.013 1.00 0.00 N ATOM 174 CA GLY A 14 -2.675 -8.286 -1.882 1.00 0.00 C ATOM 175 C GLY A 14 -2.762 -8.989 -3.222 1.00 0.00 C ATOM 176 O GLY A 14 -3.206 -8.405 -4.209 1.00 0.00 O ATOM 0 H GLY A 14 -3.530 -6.433 -2.358 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -1.772 -8.609 -1.364 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.522 -8.583 -1.264 1.00 0.00 H new ATOM 180 N GLY A 15 -2.335 -10.248 -3.257 1.00 0.00 N ATOM 181 CA GLY A 15 -2.374 -11.010 -4.491 1.00 0.00 C ATOM 182 C GLY A 15 -1.150 -10.779 -5.354 1.00 0.00 C ATOM 183 O GLY A 15 -1.264 -10.579 -6.564 1.00 0.00 O ATOM 0 H GLY A 15 -1.963 -10.753 -2.453 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.454 -12.071 -4.257 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -3.268 -10.739 -5.053 1.00 0.00 H new ATOM 187 N ILE A 16 0.024 -10.804 -4.732 1.00 0.00 N ATOM 188 CA ILE A 16 1.274 -10.594 -5.452 1.00 0.00 C ATOM 189 C ILE A 16 2.209 -11.788 -5.288 1.00 0.00 C ATOM 190 O ILE A 16 2.176 -12.501 -4.286 1.00 0.00 O ATOM 191 CB ILE A 16 1.995 -9.321 -4.970 1.00 0.00 C ATOM 192 CG1 ILE A 16 2.405 -9.466 -3.504 1.00 0.00 C ATOM 193 CG2 ILE A 16 1.102 -8.104 -5.159 1.00 0.00 C ATOM 194 CD1 ILE A 16 3.502 -8.511 -3.086 1.00 0.00 C ATOM 0 H ILE A 16 0.136 -10.968 -3.731 1.00 0.00 H new ATOM 0 HA ILE A 16 1.017 -10.478 -6.505 1.00 0.00 H new ATOM 0 HB ILE A 16 2.896 -9.182 -5.567 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.532 -9.302 -2.873 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.738 -10.489 -3.328 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.625 -7.212 -4.814 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.855 -7.994 -6.215 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.185 -8.233 -4.584 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.742 -8.670 -2.035 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.390 -8.690 -3.692 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.165 -7.484 -3.230 1.00 0.00 H new ATOM 206 N PRO A 17 3.067 -12.010 -6.296 1.00 0.00 N ATOM 207 CA PRO A 17 4.030 -13.115 -6.286 1.00 0.00 C ATOM 208 C PRO A 17 5.138 -12.909 -5.258 1.00 0.00 C ATOM 209 O PRO A 17 5.780 -11.859 -5.223 1.00 0.00 O ATOM 210 CB PRO A 17 4.606 -13.096 -7.704 1.00 0.00 C ATOM 211 CG PRO A 17 4.429 -11.691 -8.166 1.00 0.00 C ATOM 212 CD PRO A 17 3.163 -11.199 -7.521 1.00 0.00 C ATOM 0 HA PRO A 17 3.562 -14.061 -6.014 1.00 0.00 H new ATOM 0 HB2 PRO A 17 5.657 -13.385 -7.708 1.00 0.00 H new ATOM 0 HB3 PRO A 17 4.081 -13.796 -8.354 1.00 0.00 H new ATOM 0 HG2 PRO A 17 5.280 -11.075 -7.876 1.00 0.00 H new ATOM 0 HG3 PRO A 17 4.357 -11.644 -9.253 1.00 0.00 H new ATOM 0 HD2 PRO A 17 3.215 -10.134 -7.295 1.00 0.00 H new ATOM 0 HD3 PRO A 17 2.299 -11.346 -8.169 1.00 0.00 H new ATOM 220 N LYS A 18 5.357 -13.918 -4.422 1.00 0.00 N ATOM 221 CA LYS A 18 6.389 -13.850 -3.393 1.00 0.00 C ATOM 222 C LYS A 18 7.750 -13.541 -4.008 1.00 0.00 C ATOM 223 O LYS A 18 8.420 -12.589 -3.609 1.00 0.00 O ATOM 224 CB LYS A 18 6.454 -15.168 -2.619 1.00 0.00 C ATOM 225 CG LYS A 18 5.112 -15.615 -2.066 1.00 0.00 C ATOM 226 CD LYS A 18 5.024 -17.130 -1.973 1.00 0.00 C ATOM 227 CE LYS A 18 3.752 -17.572 -1.265 1.00 0.00 C ATOM 228 NZ LYS A 18 3.830 -18.991 -0.821 1.00 0.00 N ATOM 0 H LYS A 18 4.834 -14.793 -4.437 1.00 0.00 H new ATOM 0 HA LYS A 18 6.129 -13.045 -2.705 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.845 -15.946 -3.275 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.160 -15.062 -1.795 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.961 -15.179 -1.078 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.312 -15.242 -2.705 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.052 -17.559 -2.974 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.892 -17.514 -1.437 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.575 -16.930 -0.402 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.901 -17.447 -1.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.241 -19.123 0.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.487 -19.612 -1.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.817 -19.231 -0.597 1.00 0.00 H new ATOM 242 N MET A 19 8.152 -14.352 -4.981 1.00 0.00 N ATOM 243 CA MET A 19 9.433 -14.163 -5.652 1.00 0.00 C ATOM 244 C MET A 19 9.776 -12.681 -5.762 1.00 0.00 C ATOM 245 O MET A 19 10.918 -12.279 -5.539 1.00 0.00 O ATOM 246 CB MET A 19 9.402 -14.796 -7.045 1.00 0.00 C ATOM 247 CG MET A 19 8.444 -14.107 -8.004 1.00 0.00 C ATOM 248 SD MET A 19 7.828 -15.215 -9.286 1.00 0.00 S ATOM 249 CE MET A 19 7.019 -16.466 -8.292 1.00 0.00 C ATOM 0 H MET A 19 7.610 -15.146 -5.322 1.00 0.00 H new ATOM 0 HA MET A 19 10.203 -14.653 -5.055 1.00 0.00 H new ATOM 0 HB2 MET A 19 10.406 -14.773 -7.468 1.00 0.00 H new ATOM 0 HB3 MET A 19 9.119 -15.845 -6.953 1.00 0.00 H new ATOM 0 HG2 MET A 19 7.601 -13.704 -7.442 1.00 0.00 H new ATOM 0 HG3 MET A 19 8.949 -13.262 -8.472 1.00 0.00 H new ATOM 0 HE1 MET A 19 6.184 -16.890 -8.850 1.00 0.00 H new ATOM 0 HE2 MET A 19 7.731 -17.255 -8.049 1.00 0.00 H new ATOM 0 HE3 MET A 19 6.649 -16.016 -7.371 1.00 0.00 H new ATOM 259 N LYS A 20 8.780 -11.872 -6.107 1.00 0.00 N ATOM 260 CA LYS A 20 8.975 -10.433 -6.246 1.00 0.00 C ATOM 261 C LYS A 20 9.382 -9.809 -4.915 1.00 0.00 C ATOM 262 O LYS A 20 8.960 -10.261 -3.850 1.00 0.00 O ATOM 263 CB LYS A 20 7.696 -9.772 -6.762 1.00 0.00 C ATOM 264 CG LYS A 20 7.597 -9.738 -8.277 1.00 0.00 C ATOM 265 CD LYS A 20 7.812 -11.116 -8.880 1.00 0.00 C ATOM 266 CE LYS A 20 7.188 -11.223 -10.263 1.00 0.00 C ATOM 267 NZ LYS A 20 7.829 -12.290 -11.081 1.00 0.00 N ATOM 0 H LYS A 20 7.829 -12.188 -6.296 1.00 0.00 H new ATOM 0 HA LYS A 20 9.777 -10.267 -6.965 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.834 -10.306 -6.362 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.644 -8.752 -6.380 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.618 -9.360 -8.570 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.338 -9.045 -8.676 1.00 0.00 H new ATOM 0 HD2 LYS A 20 8.880 -11.323 -8.945 1.00 0.00 H new ATOM 0 HD3 LYS A 20 7.380 -11.872 -8.225 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.123 -11.431 -10.165 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.280 -10.267 -10.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.291 -12.423 -11.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.805 -12.013 -11.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.840 -13.180 -10.544 1.00 0.00 H new ATOM 281 N LYS A 21 10.203 -8.766 -4.982 1.00 0.00 N ATOM 282 CA LYS A 21 10.664 -8.077 -3.783 1.00 0.00 C ATOM 283 C LYS A 21 10.212 -6.620 -3.784 1.00 0.00 C ATOM 284 O LYS A 21 9.737 -6.109 -4.799 1.00 0.00 O ATOM 285 CB LYS A 21 12.190 -8.148 -3.685 1.00 0.00 C ATOM 286 CG LYS A 21 12.695 -9.364 -2.927 1.00 0.00 C ATOM 287 CD LYS A 21 14.056 -9.810 -3.433 1.00 0.00 C ATOM 288 CE LYS A 21 13.944 -10.536 -4.765 1.00 0.00 C ATOM 289 NZ LYS A 21 15.276 -10.962 -5.278 1.00 0.00 N ATOM 0 H LYS A 21 10.563 -8.380 -5.855 1.00 0.00 H new ATOM 0 HA LYS A 21 10.226 -8.574 -2.918 1.00 0.00 H new ATOM 0 HB2 LYS A 21 12.610 -8.157 -4.691 1.00 0.00 H new ATOM 0 HB3 LYS A 21 12.557 -7.246 -3.194 1.00 0.00 H new ATOM 0 HG2 LYS A 21 12.759 -9.131 -1.864 1.00 0.00 H new ATOM 0 HG3 LYS A 21 11.981 -10.181 -3.031 1.00 0.00 H new ATOM 0 HD2 LYS A 21 14.707 -8.942 -3.544 1.00 0.00 H new ATOM 0 HD3 LYS A 21 14.522 -10.466 -2.698 1.00 0.00 H new ATOM 0 HE2 LYS A 21 13.303 -11.410 -4.650 1.00 0.00 H new ATOM 0 HE3 LYS A 21 13.465 -9.884 -5.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 15.157 -11.453 -6.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 15.880 -10.126 -5.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 15.722 -11.605 -4.593 1.00 0.00 H new ATOM 303 N ARG A 22 10.363 -5.957 -2.643 1.00 0.00 N ATOM 304 CA ARG A 22 9.970 -4.559 -2.513 1.00 0.00 C ATOM 305 C ARG A 22 10.546 -3.724 -3.653 1.00 0.00 C ATOM 306 O ARG A 22 9.876 -2.841 -4.187 1.00 0.00 O ATOM 307 CB ARG A 22 10.438 -3.998 -1.169 1.00 0.00 C ATOM 308 CG ARG A 22 11.949 -3.985 -1.008 1.00 0.00 C ATOM 309 CD ARG A 22 12.354 -4.086 0.455 1.00 0.00 C ATOM 310 NE ARG A 22 13.804 -4.158 0.617 1.00 0.00 N ATOM 311 CZ ARG A 22 14.398 -4.674 1.687 1.00 0.00 C ATOM 312 NH1 ARG A 22 13.672 -5.161 2.684 1.00 0.00 N ATOM 313 NH2 ARG A 22 15.723 -4.704 1.762 1.00 0.00 N ATOM 0 H ARG A 22 10.755 -6.365 -1.794 1.00 0.00 H new ATOM 0 HA ARG A 22 8.882 -4.508 -2.561 1.00 0.00 H new ATOM 0 HB2 ARG A 22 10.060 -2.982 -1.058 1.00 0.00 H new ATOM 0 HB3 ARG A 22 10.000 -4.590 -0.365 1.00 0.00 H new ATOM 0 HG2 ARG A 22 12.383 -4.816 -1.565 1.00 0.00 H new ATOM 0 HG3 ARG A 22 12.354 -3.068 -1.436 1.00 0.00 H new ATOM 0 HD2 ARG A 22 11.971 -3.222 0.998 1.00 0.00 H new ATOM 0 HD3 ARG A 22 11.895 -4.970 0.898 1.00 0.00 H new ATOM 0 HE ARG A 22 14.392 -3.792 -0.132 1.00 0.00 H new ATOM 0 HH11 ARG A 22 12.654 -5.140 2.631 1.00 0.00 H new ATOM 0 HH12 ARG A 22 14.132 -5.556 3.504 1.00 0.00 H new ATOM 0 HH21 ARG A 22 16.286 -4.331 0.998 1.00 0.00 H new ATOM 0 HH22 ARG A 22 16.178 -5.100 2.584 1.00 0.00 H new ATOM 327 N GLU A 23 11.791 -4.012 -4.020 1.00 0.00 N ATOM 328 CA GLU A 23 12.456 -3.286 -5.095 1.00 0.00 C ATOM 329 C GLU A 23 11.609 -3.298 -6.365 1.00 0.00 C ATOM 330 O GLU A 23 11.386 -2.257 -6.983 1.00 0.00 O ATOM 331 CB GLU A 23 13.830 -3.899 -5.380 1.00 0.00 C ATOM 332 CG GLU A 23 14.609 -4.256 -4.126 1.00 0.00 C ATOM 333 CD GLU A 23 16.109 -4.224 -4.342 1.00 0.00 C ATOM 334 OE1 GLU A 23 16.676 -3.114 -4.407 1.00 0.00 O ATOM 335 OE2 GLU A 23 16.716 -5.311 -4.445 1.00 0.00 O ATOM 0 H GLU A 23 12.358 -4.742 -3.589 1.00 0.00 H new ATOM 0 HA GLU A 23 12.586 -2.252 -4.775 1.00 0.00 H new ATOM 0 HB2 GLU A 23 13.700 -4.797 -5.984 1.00 0.00 H new ATOM 0 HB3 GLU A 23 14.416 -3.197 -5.974 1.00 0.00 H new ATOM 0 HG2 GLU A 23 14.346 -3.561 -3.329 1.00 0.00 H new ATOM 0 HG3 GLU A 23 14.315 -5.251 -3.791 1.00 0.00 H new ATOM 342 N GLU A 24 11.142 -4.482 -6.747 1.00 0.00 N ATOM 343 CA GLU A 24 10.321 -4.629 -7.943 1.00 0.00 C ATOM 344 C GLU A 24 8.917 -4.078 -7.710 1.00 0.00 C ATOM 345 O GLU A 24 8.404 -3.298 -8.513 1.00 0.00 O ATOM 346 CB GLU A 24 10.242 -6.100 -8.357 1.00 0.00 C ATOM 347 CG GLU A 24 11.600 -6.752 -8.549 1.00 0.00 C ATOM 348 CD GLU A 24 11.570 -7.873 -9.569 1.00 0.00 C ATOM 349 OE1 GLU A 24 10.779 -7.780 -10.531 1.00 0.00 O ATOM 350 OE2 GLU A 24 12.338 -8.844 -9.406 1.00 0.00 O ATOM 0 H GLU A 24 11.318 -5.353 -6.246 1.00 0.00 H new ATOM 0 HA GLU A 24 10.788 -4.058 -8.746 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.687 -6.653 -7.599 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.677 -6.177 -9.286 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.320 -5.997 -8.865 1.00 0.00 H new ATOM 0 HG3 GLU A 24 11.949 -7.144 -7.594 1.00 0.00 H new ATOM 357 N ILE A 25 8.302 -4.490 -6.607 1.00 0.00 N ATOM 358 CA ILE A 25 6.958 -4.039 -6.268 1.00 0.00 C ATOM 359 C ILE A 25 6.858 -2.518 -6.326 1.00 0.00 C ATOM 360 O ILE A 25 6.033 -1.966 -7.055 1.00 0.00 O ATOM 361 CB ILE A 25 6.541 -4.516 -4.864 1.00 0.00 C ATOM 362 CG1 ILE A 25 6.636 -6.040 -4.771 1.00 0.00 C ATOM 363 CG2 ILE A 25 5.129 -4.047 -4.543 1.00 0.00 C ATOM 364 CD1 ILE A 25 6.777 -6.552 -3.355 1.00 0.00 C ATOM 0 H ILE A 25 8.713 -5.136 -5.933 1.00 0.00 H new ATOM 0 HA ILE A 25 6.284 -4.474 -7.006 1.00 0.00 H new ATOM 0 HB ILE A 25 7.222 -4.083 -4.131 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.745 -6.479 -5.220 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.490 -6.379 -5.358 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.849 -4.392 -3.548 1.00 0.00 H new ATOM 0 HG22 ILE A 25 5.091 -2.958 -4.574 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.434 -4.455 -5.277 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.839 -7.640 -3.366 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.683 -6.142 -2.908 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.911 -6.244 -2.769 1.00 0.00 H new ATOM 376 N LEU A 26 7.705 -1.846 -5.554 1.00 0.00 N ATOM 377 CA LEU A 26 7.714 -0.387 -5.519 1.00 0.00 C ATOM 378 C LEU A 26 7.645 0.192 -6.928 1.00 0.00 C ATOM 379 O LEU A 26 6.726 0.941 -7.257 1.00 0.00 O ATOM 380 CB LEU A 26 8.972 0.117 -4.808 1.00 0.00 C ATOM 381 CG LEU A 26 9.273 1.609 -4.956 1.00 0.00 C ATOM 382 CD1 LEU A 26 8.605 2.401 -3.843 1.00 0.00 C ATOM 383 CD2 LEU A 26 10.776 1.852 -4.958 1.00 0.00 C ATOM 0 H LEU A 26 8.394 -2.287 -4.944 1.00 0.00 H new ATOM 0 HA LEU A 26 6.834 -0.055 -4.967 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.881 -0.112 -3.746 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.827 -0.445 -5.183 1.00 0.00 H new ATOM 0 HG LEU A 26 8.869 1.949 -5.909 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.830 3.461 -3.965 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.526 2.252 -3.887 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.979 2.059 -2.878 1.00 0.00 H new ATOM 0 HD21 LEU A 26 10.972 2.919 -5.064 1.00 0.00 H new ATOM 0 HD22 LEU A 26 11.203 1.496 -4.021 1.00 0.00 H new ATOM 0 HD23 LEU A 26 11.230 1.315 -5.791 1.00 0.00 H new ATOM 395 N GLU A 27 8.623 -0.161 -7.756 1.00 0.00 N ATOM 396 CA GLU A 27 8.672 0.324 -9.131 1.00 0.00 C ATOM 397 C GLU A 27 7.415 -0.082 -9.895 1.00 0.00 C ATOM 398 O GLU A 27 6.879 0.695 -10.684 1.00 0.00 O ATOM 399 CB GLU A 27 9.913 -0.219 -9.843 1.00 0.00 C ATOM 400 CG GLU A 27 10.440 0.700 -10.932 1.00 0.00 C ATOM 401 CD GLU A 27 11.146 1.920 -10.373 1.00 0.00 C ATOM 402 OE1 GLU A 27 10.460 2.925 -10.091 1.00 0.00 O ATOM 403 OE2 GLU A 27 12.385 1.871 -10.219 1.00 0.00 O ATOM 0 H GLU A 27 9.392 -0.780 -7.499 1.00 0.00 H new ATOM 0 HA GLU A 27 8.725 1.412 -9.104 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.700 -0.386 -9.107 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.675 -1.189 -10.281 1.00 0.00 H new ATOM 0 HG2 GLU A 27 11.130 0.145 -11.568 1.00 0.00 H new ATOM 0 HG3 GLU A 27 9.612 1.021 -11.564 1.00 0.00 H new ATOM 410 N GLU A 28 6.952 -1.305 -9.655 1.00 0.00 N ATOM 411 CA GLU A 28 5.760 -1.814 -10.322 1.00 0.00 C ATOM 412 C GLU A 28 4.516 -1.057 -9.866 1.00 0.00 C ATOM 413 O GLU A 28 3.488 -1.066 -10.543 1.00 0.00 O ATOM 414 CB GLU A 28 5.591 -3.309 -10.043 1.00 0.00 C ATOM 415 CG GLU A 28 6.289 -4.200 -11.057 1.00 0.00 C ATOM 416 CD GLU A 28 7.637 -3.652 -11.485 1.00 0.00 C ATOM 417 OE1 GLU A 28 8.646 -3.979 -10.826 1.00 0.00 O ATOM 418 OE2 GLU A 28 7.683 -2.896 -12.478 1.00 0.00 O ATOM 0 H GLU A 28 7.384 -1.961 -9.004 1.00 0.00 H new ATOM 0 HA GLU A 28 5.883 -1.663 -11.394 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.979 -3.531 -9.049 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.528 -3.550 -10.031 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.424 -5.194 -10.630 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.652 -4.314 -11.934 1.00 0.00 H new ATOM 425 N ILE A 29 4.617 -0.405 -8.713 1.00 0.00 N ATOM 426 CA ILE A 29 3.502 0.357 -8.165 1.00 0.00 C ATOM 427 C ILE A 29 3.608 1.832 -8.538 1.00 0.00 C ATOM 428 O ILE A 29 2.601 2.496 -8.779 1.00 0.00 O ATOM 429 CB ILE A 29 3.431 0.230 -6.632 1.00 0.00 C ATOM 430 CG1 ILE A 29 2.817 -1.115 -6.238 1.00 0.00 C ATOM 431 CG2 ILE A 29 2.627 1.378 -6.042 1.00 0.00 C ATOM 432 CD1 ILE A 29 1.516 -1.417 -6.948 1.00 0.00 C ATOM 0 H ILE A 29 5.460 -0.389 -8.140 1.00 0.00 H new ATOM 0 HA ILE A 29 2.593 -0.060 -8.597 1.00 0.00 H new ATOM 0 HB ILE A 29 4.443 0.278 -6.231 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.532 -1.909 -6.454 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.645 -1.125 -5.162 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.586 1.274 -4.958 1.00 0.00 H new ATOM 0 HG22 ILE A 29 3.103 2.325 -6.298 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.615 1.359 -6.447 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.139 -2.386 -6.620 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.785 -0.644 -6.712 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.686 -1.440 -8.024 1.00 0.00 H new ATOM 444 N ALA A 30 4.836 2.338 -8.583 1.00 0.00 N ATOM 445 CA ALA A 30 5.075 3.733 -8.930 1.00 0.00 C ATOM 446 C ALA A 30 4.580 4.041 -10.339 1.00 0.00 C ATOM 447 O ALA A 30 4.570 5.196 -10.766 1.00 0.00 O ATOM 448 CB ALA A 30 6.556 4.062 -8.805 1.00 0.00 C ATOM 0 H ALA A 30 5.681 1.802 -8.383 1.00 0.00 H new ATOM 0 HA ALA A 30 4.515 4.356 -8.232 1.00 0.00 H new ATOM 0 HB1 ALA A 30 6.720 5.107 -9.067 1.00 0.00 H new ATOM 0 HB2 ALA A 30 6.882 3.890 -7.779 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.128 3.425 -9.479 1.00 0.00 H new ATOM 454 N LYS A 31 4.169 3.002 -11.057 1.00 0.00 N ATOM 455 CA LYS A 31 3.671 3.160 -12.418 1.00 0.00 C ATOM 456 C LYS A 31 2.146 3.123 -12.448 1.00 0.00 C ATOM 457 O LYS A 31 1.506 3.979 -13.058 1.00 0.00 O ATOM 458 CB LYS A 31 4.236 2.062 -13.321 1.00 0.00 C ATOM 459 CG LYS A 31 4.310 0.701 -12.651 1.00 0.00 C ATOM 460 CD LYS A 31 4.877 -0.352 -13.588 1.00 0.00 C ATOM 461 CE LYS A 31 6.383 -0.206 -13.746 1.00 0.00 C ATOM 462 NZ LYS A 31 6.852 -0.700 -15.070 1.00 0.00 N ATOM 0 H LYS A 31 4.171 2.040 -10.718 1.00 0.00 H new ATOM 0 HA LYS A 31 4.001 4.131 -12.788 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.617 1.984 -14.215 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.235 2.351 -13.649 1.00 0.00 H new ATOM 0 HG2 LYS A 31 4.932 0.767 -11.758 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.314 0.401 -12.325 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.645 -1.345 -13.203 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.398 -0.268 -14.564 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.660 0.842 -13.630 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.887 -0.759 -12.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.883 -0.583 -15.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.610 -1.706 -15.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.391 -0.156 -15.827 1.00 0.00 H new ATOM 476 N VAL A 32 1.570 2.126 -11.784 1.00 0.00 N ATOM 477 CA VAL A 32 0.121 1.978 -11.732 1.00 0.00 C ATOM 478 C VAL A 32 -0.508 3.043 -10.840 1.00 0.00 C ATOM 479 O VAL A 32 -1.654 3.444 -11.046 1.00 0.00 O ATOM 480 CB VAL A 32 -0.284 0.585 -11.214 1.00 0.00 C ATOM 481 CG1 VAL A 32 0.129 -0.493 -12.204 1.00 0.00 C ATOM 482 CG2 VAL A 32 0.329 0.328 -9.846 1.00 0.00 C ATOM 0 H VAL A 32 2.085 1.408 -11.274 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.246 2.098 -12.751 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.369 0.554 -11.112 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -0.165 -1.470 -11.821 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.362 -0.315 -13.161 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.210 -0.467 -12.340 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.033 -0.660 -9.494 1.00 0.00 H new ATOM 0 HG22 VAL A 32 1.415 0.377 -9.919 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.021 1.083 -9.143 1.00 0.00 H new ATOM 492 N THR A 33 0.249 3.498 -9.847 1.00 0.00 N ATOM 493 CA THR A 33 -0.234 4.516 -8.922 1.00 0.00 C ATOM 494 C THR A 33 0.847 5.551 -8.631 1.00 0.00 C ATOM 495 O THR A 33 1.848 5.250 -7.983 1.00 0.00 O ATOM 496 CB THR A 33 -0.702 3.891 -7.594 1.00 0.00 C ATOM 497 OG1 THR A 33 0.419 3.355 -6.882 1.00 0.00 O ATOM 498 CG2 THR A 33 -1.723 2.792 -7.843 1.00 0.00 C ATOM 0 H THR A 33 1.200 3.178 -9.662 1.00 0.00 H new ATOM 0 HA THR A 33 -1.081 5.005 -9.403 1.00 0.00 H new ATOM 0 HB THR A 33 -1.171 4.673 -6.996 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.233 3.833 -7.146 1.00 0.00 H new ATOM 0 HG21 THR A 33 -2.038 2.366 -6.891 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.588 3.209 -8.358 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.275 2.012 -8.459 1.00 0.00 H new ATOM 506 N GLU A 34 0.636 6.771 -9.113 1.00 0.00 N ATOM 507 CA GLU A 34 1.594 7.851 -8.904 1.00 0.00 C ATOM 508 C GLU A 34 1.344 8.548 -7.569 1.00 0.00 C ATOM 509 O GLU A 34 0.234 8.999 -7.290 1.00 0.00 O ATOM 510 CB GLU A 34 1.509 8.866 -10.045 1.00 0.00 C ATOM 511 CG GLU A 34 2.232 8.425 -11.307 1.00 0.00 C ATOM 512 CD GLU A 34 2.358 9.540 -12.327 1.00 0.00 C ATOM 513 OE1 GLU A 34 3.313 10.337 -12.222 1.00 0.00 O ATOM 514 OE2 GLU A 34 1.499 9.615 -13.231 1.00 0.00 O ATOM 0 H GLU A 34 -0.189 7.037 -9.651 1.00 0.00 H new ATOM 0 HA GLU A 34 2.594 7.417 -8.887 1.00 0.00 H new ATOM 0 HB2 GLU A 34 0.461 9.047 -10.282 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.928 9.814 -9.709 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.226 8.064 -11.044 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.697 7.587 -11.754 1.00 0.00 H new ATOM 521 N GLY A 35 2.387 8.631 -6.748 1.00 0.00 N ATOM 522 CA GLY A 35 2.261 9.273 -5.452 1.00 0.00 C ATOM 523 C GLY A 35 2.787 8.409 -4.324 1.00 0.00 C ATOM 524 O GLY A 35 2.601 8.727 -3.149 1.00 0.00 O ATOM 0 H GLY A 35 3.316 8.266 -6.957 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.803 10.219 -5.464 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.213 9.508 -5.267 1.00 0.00 H new ATOM 528 N VAL A 36 3.447 7.311 -4.679 1.00 0.00 N ATOM 529 CA VAL A 36 4.002 6.397 -3.687 1.00 0.00 C ATOM 530 C VAL A 36 5.330 6.914 -3.146 1.00 0.00 C ATOM 531 O VAL A 36 5.998 7.730 -3.784 1.00 0.00 O ATOM 532 CB VAL A 36 4.213 4.990 -4.276 1.00 0.00 C ATOM 533 CG1 VAL A 36 3.018 4.581 -5.124 1.00 0.00 C ATOM 534 CG2 VAL A 36 5.497 4.941 -5.091 1.00 0.00 C ATOM 0 H VAL A 36 3.611 7.033 -5.647 1.00 0.00 H new ATOM 0 HA VAL A 36 3.280 6.337 -2.873 1.00 0.00 H new ATOM 0 HB VAL A 36 4.304 4.281 -3.453 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.185 3.584 -5.532 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.119 4.575 -4.507 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.892 5.291 -5.941 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.630 3.939 -5.500 1.00 0.00 H new ATOM 0 HG22 VAL A 36 5.438 5.661 -5.907 1.00 0.00 H new ATOM 0 HG23 VAL A 36 6.344 5.187 -4.451 1.00 0.00 H new ATOM 544 N LEU A 37 5.708 6.435 -1.966 1.00 0.00 N ATOM 545 CA LEU A 37 6.958 6.849 -1.338 1.00 0.00 C ATOM 546 C LEU A 37 7.897 5.660 -1.158 1.00 0.00 C ATOM 547 O LEU A 37 9.077 5.731 -1.501 1.00 0.00 O ATOM 548 CB LEU A 37 6.679 7.502 0.017 1.00 0.00 C ATOM 549 CG LEU A 37 7.674 8.575 0.462 1.00 0.00 C ATOM 550 CD1 LEU A 37 7.770 9.679 -0.579 1.00 0.00 C ATOM 551 CD2 LEU A 37 7.272 9.147 1.814 1.00 0.00 C ATOM 0 H LEU A 37 5.167 5.760 -1.425 1.00 0.00 H new ATOM 0 HA LEU A 37 7.441 7.575 -1.992 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.685 7.947 -0.015 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.654 6.720 0.776 1.00 0.00 H new ATOM 0 HG LEU A 37 8.656 8.113 0.563 1.00 0.00 H new ATOM 0 HD11 LEU A 37 8.483 10.433 -0.245 1.00 0.00 H new ATOM 0 HD12 LEU A 37 8.105 9.257 -1.527 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.791 10.139 -0.713 1.00 0.00 H new ATOM 0 HD21 LEU A 37 7.991 9.909 2.115 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.280 9.593 1.740 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.256 8.349 2.557 1.00 0.00 H new ATOM 563 N ASP A 38 7.363 4.568 -0.622 1.00 0.00 N ATOM 564 CA ASP A 38 8.152 3.361 -0.400 1.00 0.00 C ATOM 565 C ASP A 38 7.247 2.157 -0.158 1.00 0.00 C ATOM 566 O ASP A 38 6.075 2.308 0.187 1.00 0.00 O ATOM 567 CB ASP A 38 9.095 3.554 0.789 1.00 0.00 C ATOM 568 CG ASP A 38 10.444 4.108 0.375 1.00 0.00 C ATOM 569 OD1 ASP A 38 11.013 3.604 -0.615 1.00 0.00 O ATOM 570 OD2 ASP A 38 10.930 5.046 1.041 1.00 0.00 O ATOM 0 H ASP A 38 6.388 4.493 -0.333 1.00 0.00 H new ATOM 0 HA ASP A 38 8.744 3.173 -1.296 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.633 4.230 1.509 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.238 2.599 1.295 1.00 0.00 H new ATOM 575 N VAL A 39 7.800 0.962 -0.341 1.00 0.00 N ATOM 576 CA VAL A 39 7.043 -0.268 -0.143 1.00 0.00 C ATOM 577 C VAL A 39 7.650 -1.113 0.971 1.00 0.00 C ATOM 578 O VAL A 39 8.870 -1.260 1.058 1.00 0.00 O ATOM 579 CB VAL A 39 6.984 -1.106 -1.434 1.00 0.00 C ATOM 580 CG1 VAL A 39 6.252 -2.416 -1.188 1.00 0.00 C ATOM 581 CG2 VAL A 39 6.320 -0.315 -2.551 1.00 0.00 C ATOM 0 H VAL A 39 8.769 0.820 -0.626 1.00 0.00 H new ATOM 0 HA VAL A 39 6.031 0.025 0.137 1.00 0.00 H new ATOM 0 HB VAL A 39 8.003 -1.341 -1.742 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.221 -2.994 -2.111 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.775 -2.986 -0.420 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.235 -2.208 -0.856 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.286 -0.922 -3.456 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.305 -0.049 -2.255 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.892 0.593 -2.744 1.00 0.00 H new ATOM 591 N ILE A 40 6.792 -1.668 1.821 1.00 0.00 N ATOM 592 CA ILE A 40 7.244 -2.500 2.928 1.00 0.00 C ATOM 593 C ILE A 40 6.914 -3.968 2.683 1.00 0.00 C ATOM 594 O ILE A 40 5.842 -4.298 2.176 1.00 0.00 O ATOM 595 CB ILE A 40 6.610 -2.058 4.260 1.00 0.00 C ATOM 596 CG1 ILE A 40 7.092 -0.656 4.640 1.00 0.00 C ATOM 597 CG2 ILE A 40 6.942 -3.054 5.361 1.00 0.00 C ATOM 598 CD1 ILE A 40 6.233 0.452 4.073 1.00 0.00 C ATOM 0 H ILE A 40 5.780 -1.556 1.763 1.00 0.00 H new ATOM 0 HA ILE A 40 8.325 -2.379 2.992 1.00 0.00 H new ATOM 0 HB ILE A 40 5.527 -2.029 4.137 1.00 0.00 H new ATOM 0 HG12 ILE A 40 7.112 -0.569 5.726 1.00 0.00 H new ATOM 0 HG13 ILE A 40 8.116 -0.526 4.291 1.00 0.00 H new ATOM 0 HG21 ILE A 40 6.487 -2.728 6.296 1.00 0.00 H new ATOM 0 HG22 ILE A 40 6.554 -4.036 5.092 1.00 0.00 H new ATOM 0 HG23 ILE A 40 8.023 -3.112 5.485 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.633 1.417 4.383 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.233 0.391 2.985 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.213 0.347 4.443 1.00 0.00 H new ATOM 610 N VAL A 41 7.841 -4.847 3.050 1.00 0.00 N ATOM 611 CA VAL A 41 7.648 -6.282 2.873 1.00 0.00 C ATOM 612 C VAL A 41 8.215 -7.062 4.053 1.00 0.00 C ATOM 613 O VAL A 41 9.428 -7.090 4.267 1.00 0.00 O ATOM 614 CB VAL A 41 8.310 -6.781 1.575 1.00 0.00 C ATOM 615 CG1 VAL A 41 9.823 -6.657 1.665 1.00 0.00 C ATOM 616 CG2 VAL A 41 7.900 -8.218 1.288 1.00 0.00 C ATOM 0 H VAL A 41 8.734 -4.591 3.472 1.00 0.00 H new ATOM 0 HA VAL A 41 6.573 -6.452 2.812 1.00 0.00 H new ATOM 0 HB VAL A 41 7.968 -6.157 0.749 1.00 0.00 H new ATOM 0 HG11 VAL A 41 10.273 -7.014 0.739 1.00 0.00 H new ATOM 0 HG12 VAL A 41 10.094 -5.613 1.821 1.00 0.00 H new ATOM 0 HG13 VAL A 41 10.188 -7.255 2.500 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.376 -8.555 0.367 1.00 0.00 H new ATOM 0 HG22 VAL A 41 8.212 -8.857 2.114 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.817 -8.272 1.177 1.00 0.00 H new ATOM 626 N TYR A 42 7.332 -7.696 4.815 1.00 0.00 N ATOM 627 CA TYR A 42 7.744 -8.477 5.976 1.00 0.00 C ATOM 628 C TYR A 42 7.772 -9.967 5.648 1.00 0.00 C ATOM 629 O TYR A 42 6.800 -10.519 5.134 1.00 0.00 O ATOM 630 CB TYR A 42 6.800 -8.219 7.152 1.00 0.00 C ATOM 631 CG TYR A 42 5.343 -8.154 6.755 1.00 0.00 C ATOM 632 CD1 TYR A 42 4.812 -7.010 6.173 1.00 0.00 C ATOM 633 CD2 TYR A 42 4.497 -9.237 6.963 1.00 0.00 C ATOM 634 CE1 TYR A 42 3.480 -6.946 5.809 1.00 0.00 C ATOM 635 CE2 TYR A 42 3.165 -9.182 6.602 1.00 0.00 C ATOM 636 CZ TYR A 42 2.661 -8.034 6.025 1.00 0.00 C ATOM 637 OH TYR A 42 1.334 -7.975 5.665 1.00 0.00 O ATOM 0 H TYR A 42 6.325 -7.685 4.650 1.00 0.00 H new ATOM 0 HA TYR A 42 8.751 -8.166 6.253 1.00 0.00 H new ATOM 0 HB2 TYR A 42 6.931 -9.008 7.892 1.00 0.00 H new ATOM 0 HB3 TYR A 42 7.079 -7.281 7.632 1.00 0.00 H new ATOM 0 HD1 TYR A 42 5.451 -6.156 6.002 1.00 0.00 H new ATOM 0 HD2 TYR A 42 4.888 -10.137 7.415 1.00 0.00 H new ATOM 0 HE1 TYR A 42 3.083 -6.049 5.358 1.00 0.00 H new ATOM 0 HE2 TYR A 42 2.521 -10.033 6.770 1.00 0.00 H new ATOM 0 HH TYR A 42 1.258 -7.633 4.750 1.00 0.00 H new ATOM 647 N ALA A 43 8.894 -10.612 5.951 1.00 0.00 N ATOM 648 CA ALA A 43 9.049 -12.038 5.692 1.00 0.00 C ATOM 649 C ALA A 43 10.074 -12.658 6.635 1.00 0.00 C ATOM 650 O ALA A 43 10.619 -11.982 7.507 1.00 0.00 O ATOM 651 CB ALA A 43 9.453 -12.270 4.244 1.00 0.00 C ATOM 0 H ALA A 43 9.709 -10.169 6.376 1.00 0.00 H new ATOM 0 HA ALA A 43 8.089 -12.522 5.872 1.00 0.00 H new ATOM 0 HB1 ALA A 43 9.565 -13.339 4.064 1.00 0.00 H new ATOM 0 HB2 ALA A 43 8.684 -11.870 3.583 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.400 -11.767 4.045 1.00 0.00 H new ATOM 657 N SER A 44 10.332 -13.950 6.454 1.00 0.00 N ATOM 658 CA SER A 44 11.289 -14.663 7.292 1.00 0.00 C ATOM 659 C SER A 44 12.552 -15.003 6.506 1.00 0.00 C ATOM 660 O SER A 44 13.645 -15.073 7.067 1.00 0.00 O ATOM 661 CB SER A 44 10.659 -15.942 7.847 1.00 0.00 C ATOM 662 OG SER A 44 11.387 -16.427 8.962 1.00 0.00 O ATOM 0 H SER A 44 9.892 -14.524 5.735 1.00 0.00 H new ATOM 0 HA SER A 44 11.564 -14.012 8.122 1.00 0.00 H new ATOM 0 HB2 SER A 44 9.628 -15.746 8.140 1.00 0.00 H new ATOM 0 HB3 SER A 44 10.630 -16.704 7.068 1.00 0.00 H new ATOM 0 HG SER A 44 10.963 -17.244 9.299 1.00 0.00 H new ATOM 668 N ALA A 45 12.391 -15.214 5.204 1.00 0.00 N ATOM 669 CA ALA A 45 13.517 -15.546 4.340 1.00 0.00 C ATOM 670 C ALA A 45 13.786 -14.429 3.337 1.00 0.00 C ATOM 671 O ALA A 45 14.041 -14.686 2.160 1.00 0.00 O ATOM 672 CB ALA A 45 13.258 -16.858 3.614 1.00 0.00 C ATOM 0 H ALA A 45 11.492 -15.161 4.725 1.00 0.00 H new ATOM 0 HA ALA A 45 14.402 -15.659 4.966 1.00 0.00 H new ATOM 0 HB1 ALA A 45 14.107 -17.093 2.973 1.00 0.00 H new ATOM 0 HB2 ALA A 45 13.122 -17.657 4.343 1.00 0.00 H new ATOM 0 HB3 ALA A 45 12.358 -16.766 3.005 1.00 0.00 H new ATOM 678 N ALA A 46 13.728 -13.188 3.810 1.00 0.00 N ATOM 679 CA ALA A 46 13.967 -12.033 2.954 1.00 0.00 C ATOM 680 C ALA A 46 12.909 -11.931 1.860 1.00 0.00 C ATOM 681 O ALA A 46 13.210 -11.564 0.725 1.00 0.00 O ATOM 682 CB ALA A 46 15.357 -12.108 2.341 1.00 0.00 C ATOM 0 H ALA A 46 13.518 -12.957 4.781 1.00 0.00 H new ATOM 0 HA ALA A 46 13.902 -11.136 3.570 1.00 0.00 H new ATOM 0 HB1 ALA A 46 15.521 -11.239 1.704 1.00 0.00 H new ATOM 0 HB2 ALA A 46 16.104 -12.123 3.134 1.00 0.00 H new ATOM 0 HB3 ALA A 46 15.443 -13.016 1.744 1.00 0.00 H new ATOM 688 N ASP A 47 11.670 -12.259 2.210 1.00 0.00 N ATOM 689 CA ASP A 47 10.567 -12.205 1.258 1.00 0.00 C ATOM 690 C ASP A 47 10.694 -13.311 0.215 1.00 0.00 C ATOM 691 O ASP A 47 10.519 -13.075 -0.981 1.00 0.00 O ATOM 692 CB ASP A 47 10.527 -10.840 0.569 1.00 0.00 C ATOM 693 CG ASP A 47 11.059 -9.729 1.453 1.00 0.00 C ATOM 694 OD1 ASP A 47 10.734 -9.723 2.659 1.00 0.00 O ATOM 695 OD2 ASP A 47 11.803 -8.867 0.939 1.00 0.00 O ATOM 0 H ASP A 47 11.404 -12.565 3.146 1.00 0.00 H new ATOM 0 HA ASP A 47 9.638 -12.354 1.808 1.00 0.00 H new ATOM 0 HB2 ASP A 47 11.113 -10.882 -0.349 1.00 0.00 H new ATOM 0 HB3 ASP A 47 9.501 -10.611 0.281 1.00 0.00 H new ATOM 700 N LYS A 48 11.000 -14.519 0.676 1.00 0.00 N ATOM 701 CA LYS A 48 11.151 -15.663 -0.215 1.00 0.00 C ATOM 702 C LYS A 48 9.809 -16.346 -0.456 1.00 0.00 C ATOM 703 O LYS A 48 8.782 -15.919 0.071 1.00 0.00 O ATOM 704 CB LYS A 48 12.147 -16.666 0.372 1.00 0.00 C ATOM 705 CG LYS A 48 13.078 -17.275 -0.662 1.00 0.00 C ATOM 706 CD LYS A 48 13.749 -18.532 -0.136 1.00 0.00 C ATOM 707 CE LYS A 48 14.122 -19.480 -1.266 1.00 0.00 C ATOM 708 NZ LYS A 48 14.305 -20.876 -0.782 1.00 0.00 N ATOM 0 H LYS A 48 11.148 -14.731 1.663 1.00 0.00 H new ATOM 0 HA LYS A 48 11.531 -15.300 -1.170 1.00 0.00 H new ATOM 0 HB2 LYS A 48 12.743 -16.168 1.137 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.596 -17.465 0.868 1.00 0.00 H new ATOM 0 HG2 LYS A 48 12.515 -17.512 -1.565 1.00 0.00 H new ATOM 0 HG3 LYS A 48 13.838 -16.546 -0.943 1.00 0.00 H new ATOM 0 HD2 LYS A 48 14.644 -18.261 0.423 1.00 0.00 H new ATOM 0 HD3 LYS A 48 13.080 -19.039 0.560 1.00 0.00 H new ATOM 0 HE2 LYS A 48 13.344 -19.459 -2.029 1.00 0.00 H new ATOM 0 HE3 LYS A 48 15.042 -19.136 -1.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 14.558 -21.490 -1.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 15.065 -20.901 -0.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 13.420 -21.214 -0.353 1.00 0.00 H new ATOM 722 N MET A 49 9.825 -17.408 -1.255 1.00 0.00 N ATOM 723 CA MET A 49 8.608 -18.151 -1.563 1.00 0.00 C ATOM 724 C MET A 49 7.980 -18.715 -0.292 1.00 0.00 C ATOM 725 O MET A 49 6.827 -19.148 -0.297 1.00 0.00 O ATOM 726 CB MET A 49 8.912 -19.285 -2.543 1.00 0.00 C ATOM 727 CG MET A 49 7.671 -19.874 -3.194 1.00 0.00 C ATOM 728 SD MET A 49 7.890 -21.600 -3.671 1.00 0.00 S ATOM 729 CE MET A 49 8.154 -21.433 -5.435 1.00 0.00 C ATOM 0 H MET A 49 10.667 -17.773 -1.701 1.00 0.00 H new ATOM 0 HA MET A 49 7.898 -17.464 -2.024 1.00 0.00 H new ATOM 0 HB2 MET A 49 9.579 -18.913 -3.321 1.00 0.00 H new ATOM 0 HB3 MET A 49 9.446 -20.076 -2.017 1.00 0.00 H new ATOM 0 HG2 MET A 49 6.831 -19.796 -2.504 1.00 0.00 H new ATOM 0 HG3 MET A 49 7.415 -19.287 -4.076 1.00 0.00 H new ATOM 0 HE1 MET A 49 8.305 -22.419 -5.875 1.00 0.00 H new ATOM 0 HE2 MET A 49 7.283 -20.962 -5.890 1.00 0.00 H new ATOM 0 HE3 MET A 49 9.035 -20.816 -5.614 1.00 0.00 H new ATOM 739 N LYS A 50 8.745 -18.709 0.794 1.00 0.00 N ATOM 740 CA LYS A 50 8.264 -19.219 2.072 1.00 0.00 C ATOM 741 C LYS A 50 7.630 -18.104 2.899 1.00 0.00 C ATOM 742 O LYS A 50 7.527 -18.208 4.121 1.00 0.00 O ATOM 743 CB LYS A 50 9.413 -19.859 2.855 1.00 0.00 C ATOM 744 CG LYS A 50 8.951 -20.737 4.005 1.00 0.00 C ATOM 745 CD LYS A 50 10.006 -21.763 4.382 1.00 0.00 C ATOM 746 CE LYS A 50 9.552 -22.625 5.550 1.00 0.00 C ATOM 747 NZ LYS A 50 9.398 -21.831 6.800 1.00 0.00 N ATOM 0 H LYS A 50 9.702 -18.356 0.814 1.00 0.00 H new ATOM 0 HA LYS A 50 7.505 -19.975 1.870 1.00 0.00 H new ATOM 0 HB2 LYS A 50 10.018 -20.457 2.173 1.00 0.00 H new ATOM 0 HB3 LYS A 50 10.058 -19.072 3.246 1.00 0.00 H new ATOM 0 HG2 LYS A 50 8.722 -20.114 4.870 1.00 0.00 H new ATOM 0 HG3 LYS A 50 8.029 -21.247 3.727 1.00 0.00 H new ATOM 0 HD2 LYS A 50 10.222 -22.397 3.522 1.00 0.00 H new ATOM 0 HD3 LYS A 50 10.934 -21.254 4.643 1.00 0.00 H new ATOM 0 HE2 LYS A 50 8.603 -23.100 5.303 1.00 0.00 H new ATOM 0 HE3 LYS A 50 10.275 -23.424 5.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 9.288 -22.475 7.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 10.241 -21.239 6.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.557 -21.224 6.724 1.00 0.00 H new ATOM 761 N ASN A 51 7.207 -17.040 2.225 1.00 0.00 N ATOM 762 CA ASN A 51 6.583 -15.907 2.898 1.00 0.00 C ATOM 763 C ASN A 51 5.205 -15.618 2.311 1.00 0.00 C ATOM 764 O ASN A 51 4.829 -16.175 1.279 1.00 0.00 O ATOM 765 CB ASN A 51 7.470 -14.666 2.781 1.00 0.00 C ATOM 766 CG ASN A 51 6.667 -13.380 2.773 1.00 0.00 C ATOM 767 OD1 ASN A 51 6.162 -12.943 3.807 1.00 0.00 O ATOM 768 ND2 ASN A 51 6.544 -12.767 1.601 1.00 0.00 N ATOM 0 H ASN A 51 7.285 -16.939 1.213 1.00 0.00 H new ATOM 0 HA ASN A 51 6.464 -16.162 3.951 1.00 0.00 H new ATOM 0 HB2 ASN A 51 8.174 -14.646 3.613 1.00 0.00 H new ATOM 0 HB3 ASN A 51 8.059 -14.729 1.866 1.00 0.00 H new ATOM 0 HD21 ASN A 51 6.014 -11.898 1.533 1.00 0.00 H new ATOM 0 HD22 ASN A 51 6.980 -13.165 0.769 1.00 0.00 H new ATOM 775 N ARG A 52 4.456 -14.743 2.975 1.00 0.00 N ATOM 776 CA ARG A 52 3.120 -14.380 2.520 1.00 0.00 C ATOM 777 C ARG A 52 3.169 -13.762 1.126 1.00 0.00 C ATOM 778 O ARG A 52 4.245 -13.495 0.592 1.00 0.00 O ATOM 779 CB ARG A 52 2.473 -13.400 3.501 1.00 0.00 C ATOM 780 CG ARG A 52 2.051 -14.041 4.813 1.00 0.00 C ATOM 781 CD ARG A 52 0.626 -14.569 4.742 1.00 0.00 C ATOM 782 NE ARG A 52 -0.344 -13.498 4.533 1.00 0.00 N ATOM 783 CZ ARG A 52 -1.639 -13.616 4.805 1.00 0.00 C ATOM 784 NH1 ARG A 52 -2.116 -14.753 5.294 1.00 0.00 N ATOM 785 NH2 ARG A 52 -2.460 -12.596 4.588 1.00 0.00 N ATOM 0 H ARG A 52 4.752 -14.273 3.830 1.00 0.00 H new ATOM 0 HA ARG A 52 2.520 -15.289 2.475 1.00 0.00 H new ATOM 0 HB2 ARG A 52 3.174 -12.592 3.710 1.00 0.00 H new ATOM 0 HB3 ARG A 52 1.600 -12.950 3.029 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.731 -14.858 5.056 1.00 0.00 H new ATOM 0 HG3 ARG A 52 2.130 -13.310 5.618 1.00 0.00 H new ATOM 0 HD2 ARG A 52 0.547 -15.293 3.931 1.00 0.00 H new ATOM 0 HD3 ARG A 52 0.389 -15.098 5.665 1.00 0.00 H new ATOM 0 HE ARG A 52 -0.009 -12.611 4.158 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -1.488 -15.539 5.462 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -3.111 -14.841 5.502 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -2.097 -11.720 4.212 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -3.454 -12.688 4.797 1.00 0.00 H new ATOM 799 N GLY A 53 1.996 -13.537 0.541 1.00 0.00 N ATOM 800 CA GLY A 53 1.929 -12.953 -0.785 1.00 0.00 C ATOM 801 C GLY A 53 1.252 -11.597 -0.788 1.00 0.00 C ATOM 802 O GLY A 53 0.176 -11.433 -1.364 1.00 0.00 O ATOM 0 H GLY A 53 1.092 -13.749 0.962 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.938 -12.853 -1.186 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.388 -13.627 -1.449 1.00 0.00 H new ATOM 806 N PHE A 54 1.881 -10.622 -0.141 1.00 0.00 N ATOM 807 CA PHE A 54 1.332 -9.273 -0.068 1.00 0.00 C ATOM 808 C PHE A 54 2.436 -8.248 0.172 1.00 0.00 C ATOM 809 O PHE A 54 3.564 -8.603 0.511 1.00 0.00 O ATOM 810 CB PHE A 54 0.287 -9.184 1.046 1.00 0.00 C ATOM 811 CG PHE A 54 0.132 -7.803 1.614 1.00 0.00 C ATOM 812 CD1 PHE A 54 1.038 -7.316 2.543 1.00 0.00 C ATOM 813 CD2 PHE A 54 -0.919 -6.991 1.219 1.00 0.00 C ATOM 814 CE1 PHE A 54 0.897 -6.045 3.067 1.00 0.00 C ATOM 815 CE2 PHE A 54 -1.065 -5.719 1.740 1.00 0.00 C ATOM 816 CZ PHE A 54 -0.155 -5.245 2.665 1.00 0.00 C ATOM 0 H PHE A 54 2.772 -10.741 0.341 1.00 0.00 H new ATOM 0 HA PHE A 54 0.855 -9.050 -1.023 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -0.675 -9.519 0.658 1.00 0.00 H new ATOM 0 HB3 PHE A 54 0.563 -9.869 1.848 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.863 -7.936 2.861 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.633 -7.356 0.495 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.609 -5.677 3.791 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.889 -5.097 1.424 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.266 -4.251 3.073 1.00 0.00 H new ATOM 826 N ALA A 55 2.102 -6.974 -0.008 1.00 0.00 N ATOM 827 CA ALA A 55 3.064 -5.897 0.191 1.00 0.00 C ATOM 828 C ALA A 55 2.361 -4.594 0.558 1.00 0.00 C ATOM 829 O ALA A 55 1.187 -4.399 0.241 1.00 0.00 O ATOM 830 CB ALA A 55 3.910 -5.708 -1.060 1.00 0.00 C ATOM 0 H ALA A 55 1.173 -6.663 -0.291 1.00 0.00 H new ATOM 0 HA ALA A 55 3.716 -6.174 1.020 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.624 -4.901 -0.898 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.448 -6.630 -1.278 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.264 -5.457 -1.902 1.00 0.00 H new ATOM 836 N PHE A 56 3.086 -3.705 1.229 1.00 0.00 N ATOM 837 CA PHE A 56 2.531 -2.421 1.642 1.00 0.00 C ATOM 838 C PHE A 56 3.149 -1.279 0.841 1.00 0.00 C ATOM 839 O PHE A 56 4.322 -1.329 0.471 1.00 0.00 O ATOM 840 CB PHE A 56 2.767 -2.197 3.137 1.00 0.00 C ATOM 841 CG PHE A 56 1.634 -2.672 4.000 1.00 0.00 C ATOM 842 CD1 PHE A 56 0.365 -2.133 3.860 1.00 0.00 C ATOM 843 CD2 PHE A 56 1.837 -3.658 4.953 1.00 0.00 C ATOM 844 CE1 PHE A 56 -0.680 -2.568 4.653 1.00 0.00 C ATOM 845 CE2 PHE A 56 0.796 -4.097 5.748 1.00 0.00 C ATOM 846 CZ PHE A 56 -0.464 -3.551 5.599 1.00 0.00 C ATOM 0 H PHE A 56 4.059 -3.850 1.498 1.00 0.00 H new ATOM 0 HA PHE A 56 1.458 -2.438 1.449 1.00 0.00 H new ATOM 0 HB2 PHE A 56 3.680 -2.713 3.434 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.929 -1.134 3.316 1.00 0.00 H new ATOM 0 HD1 PHE A 56 0.191 -1.364 3.122 1.00 0.00 H new ATOM 0 HD2 PHE A 56 2.820 -4.088 5.075 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.664 -2.140 4.533 1.00 0.00 H new ATOM 0 HE2 PHE A 56 0.967 -4.867 6.486 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.279 -3.892 6.221 1.00 0.00 H new ATOM 856 N VAL A 57 2.350 -0.250 0.575 1.00 0.00 N ATOM 857 CA VAL A 57 2.817 0.905 -0.182 1.00 0.00 C ATOM 858 C VAL A 57 2.500 2.205 0.549 1.00 0.00 C ATOM 859 O VAL A 57 1.337 2.584 0.684 1.00 0.00 O ATOM 860 CB VAL A 57 2.185 0.950 -1.585 1.00 0.00 C ATOM 861 CG1 VAL A 57 2.948 1.910 -2.485 1.00 0.00 C ATOM 862 CG2 VAL A 57 2.142 -0.444 -2.194 1.00 0.00 C ATOM 0 H VAL A 57 1.376 -0.193 0.873 1.00 0.00 H new ATOM 0 HA VAL A 57 3.897 0.802 -0.283 1.00 0.00 H new ATOM 0 HB VAL A 57 1.162 1.314 -1.492 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.486 1.928 -3.472 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.922 2.911 -2.054 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.983 1.580 -2.575 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.692 -0.394 -3.186 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.155 -0.837 -2.274 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.547 -1.100 -1.559 1.00 0.00 H new ATOM 872 N GLU A 58 3.542 2.884 1.017 1.00 0.00 N ATOM 873 CA GLU A 58 3.374 4.143 1.734 1.00 0.00 C ATOM 874 C GLU A 58 3.347 5.322 0.765 1.00 0.00 C ATOM 875 O GLU A 58 4.338 5.612 0.096 1.00 0.00 O ATOM 876 CB GLU A 58 4.501 4.331 2.752 1.00 0.00 C ATOM 877 CG GLU A 58 4.132 5.248 3.905 1.00 0.00 C ATOM 878 CD GLU A 58 5.329 5.993 4.463 1.00 0.00 C ATOM 879 OE1 GLU A 58 5.703 7.034 3.882 1.00 0.00 O ATOM 880 OE2 GLU A 58 5.893 5.536 5.479 1.00 0.00 O ATOM 0 H GLU A 58 4.511 2.584 0.913 1.00 0.00 H new ATOM 0 HA GLU A 58 2.421 4.106 2.261 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.786 3.357 3.150 1.00 0.00 H new ATOM 0 HB3 GLU A 58 5.376 4.735 2.243 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.386 5.967 3.568 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.672 4.660 4.699 1.00 0.00 H new ATOM 887 N TYR A 59 2.205 5.997 0.696 1.00 0.00 N ATOM 888 CA TYR A 59 2.047 7.142 -0.192 1.00 0.00 C ATOM 889 C TYR A 59 2.269 8.450 0.560 1.00 0.00 C ATOM 890 O TYR A 59 1.752 8.641 1.661 1.00 0.00 O ATOM 891 CB TYR A 59 0.654 7.135 -0.825 1.00 0.00 C ATOM 892 CG TYR A 59 0.440 6.005 -1.807 1.00 0.00 C ATOM 893 CD1 TYR A 59 0.138 4.723 -1.366 1.00 0.00 C ATOM 894 CD2 TYR A 59 0.540 6.221 -3.176 1.00 0.00 C ATOM 895 CE1 TYR A 59 -0.057 3.688 -2.259 1.00 0.00 C ATOM 896 CE2 TYR A 59 0.345 5.192 -4.077 1.00 0.00 C ATOM 897 CZ TYR A 59 0.047 3.927 -3.613 1.00 0.00 C ATOM 898 OH TYR A 59 -0.148 2.899 -4.507 1.00 0.00 O ATOM 0 H TYR A 59 1.375 5.771 1.244 1.00 0.00 H new ATOM 0 HA TYR A 59 2.797 7.065 -0.979 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -0.094 7.065 -0.035 1.00 0.00 H new ATOM 0 HB3 TYR A 59 0.491 8.084 -1.335 1.00 0.00 H new ATOM 0 HD1 TYR A 59 0.054 4.532 -0.306 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.774 7.210 -3.542 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.290 2.697 -1.899 1.00 0.00 H new ATOM 0 HE2 TYR A 59 0.425 5.377 -5.138 1.00 0.00 H new ATOM 0 HH TYR A 59 0.432 3.028 -5.286 1.00 0.00 H new ATOM 908 N GLU A 60 3.042 9.348 -0.042 1.00 0.00 N ATOM 909 CA GLU A 60 3.334 10.639 0.571 1.00 0.00 C ATOM 910 C GLU A 60 2.051 11.428 0.813 1.00 0.00 C ATOM 911 O GLU A 60 1.822 11.940 1.909 1.00 0.00 O ATOM 912 CB GLU A 60 4.283 11.447 -0.317 1.00 0.00 C ATOM 913 CG GLU A 60 3.772 11.643 -1.734 1.00 0.00 C ATOM 914 CD GLU A 60 4.789 12.321 -2.632 1.00 0.00 C ATOM 915 OE1 GLU A 60 5.835 11.701 -2.918 1.00 0.00 O ATOM 916 OE2 GLU A 60 4.538 13.471 -3.050 1.00 0.00 O ATOM 0 H GLU A 60 3.477 9.206 -0.953 1.00 0.00 H new ATOM 0 HA GLU A 60 3.815 10.456 1.532 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.450 12.423 0.138 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.249 10.943 -0.355 1.00 0.00 H new ATOM 0 HG2 GLU A 60 3.507 10.674 -2.158 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.860 12.240 -1.708 1.00 0.00 H new ATOM 923 N SER A 61 1.217 11.523 -0.218 1.00 0.00 N ATOM 924 CA SER A 61 -0.041 12.253 -0.119 1.00 0.00 C ATOM 925 C SER A 61 -1.176 11.326 0.305 1.00 0.00 C ATOM 926 O SER A 61 -1.471 10.338 -0.369 1.00 0.00 O ATOM 927 CB SER A 61 -0.379 12.912 -1.458 1.00 0.00 C ATOM 928 OG SER A 61 -1.168 14.074 -1.270 1.00 0.00 O ATOM 0 H SER A 61 1.390 11.103 -1.131 1.00 0.00 H new ATOM 0 HA SER A 61 0.075 13.027 0.640 1.00 0.00 H new ATOM 0 HB2 SER A 61 0.541 13.174 -1.980 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.914 12.204 -2.091 1.00 0.00 H new ATOM 0 HG SER A 61 -1.369 14.477 -2.140 1.00 0.00 H new ATOM 934 N HIS A 62 -1.810 11.651 1.427 1.00 0.00 N ATOM 935 CA HIS A 62 -2.913 10.848 1.942 1.00 0.00 C ATOM 936 C HIS A 62 -3.895 10.497 0.829 1.00 0.00 C ATOM 937 O HIS A 62 -4.477 9.412 0.821 1.00 0.00 O ATOM 938 CB HIS A 62 -3.638 11.598 3.060 1.00 0.00 C ATOM 939 CG HIS A 62 -5.076 11.207 3.209 1.00 0.00 C ATOM 940 ND1 HIS A 62 -5.498 9.895 3.261 1.00 0.00 N ATOM 941 CD2 HIS A 62 -6.193 11.964 3.318 1.00 0.00 C ATOM 942 CE1 HIS A 62 -6.812 9.862 3.394 1.00 0.00 C ATOM 943 NE2 HIS A 62 -7.258 11.105 3.432 1.00 0.00 N ATOM 0 H HIS A 62 -1.579 12.465 1.997 1.00 0.00 H new ATOM 0 HA HIS A 62 -2.500 9.922 2.343 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -3.121 11.417 4.002 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -3.579 12.669 2.865 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -4.890 9.078 3.205 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -6.238 13.043 3.316 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -7.418 8.971 3.460 1.00 0.00 H new ATOM 951 N ARG A 63 -4.076 11.422 -0.108 1.00 0.00 N ATOM 952 CA ARG A 63 -4.989 11.210 -1.225 1.00 0.00 C ATOM 953 C ARG A 63 -4.368 10.284 -2.267 1.00 0.00 C ATOM 954 O ARG A 63 -5.033 9.393 -2.795 1.00 0.00 O ATOM 955 CB ARG A 63 -5.358 12.547 -1.870 1.00 0.00 C ATOM 956 CG ARG A 63 -6.120 12.403 -3.177 1.00 0.00 C ATOM 957 CD ARG A 63 -7.616 12.275 -2.938 1.00 0.00 C ATOM 958 NE ARG A 63 -8.164 13.444 -2.257 1.00 0.00 N ATOM 959 CZ ARG A 63 -9.460 13.732 -2.217 1.00 0.00 C ATOM 960 NH1 ARG A 63 -10.337 12.938 -2.817 1.00 0.00 N ATOM 961 NH2 ARG A 63 -9.882 14.814 -1.576 1.00 0.00 N ATOM 0 H ARG A 63 -3.603 12.325 -0.116 1.00 0.00 H new ATOM 0 HA ARG A 63 -5.893 10.739 -0.839 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.961 13.125 -1.169 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -4.447 13.117 -2.051 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -5.924 13.268 -3.811 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -5.760 11.526 -3.715 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -8.125 12.140 -3.892 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -7.813 11.383 -2.343 1.00 0.00 H new ATOM 0 HE ARG A 63 -7.516 14.075 -1.786 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -10.017 12.105 -3.310 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -11.332 13.161 -2.785 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -9.211 15.427 -1.113 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -10.878 15.033 -1.546 1.00 0.00 H new ATOM 975 N ALA A 64 -3.090 10.502 -2.558 1.00 0.00 N ATOM 976 CA ALA A 64 -2.380 9.687 -3.536 1.00 0.00 C ATOM 977 C ALA A 64 -2.718 8.210 -3.368 1.00 0.00 C ATOM 978 O ALA A 64 -2.767 7.460 -4.342 1.00 0.00 O ATOM 979 CB ALA A 64 -0.879 9.904 -3.413 1.00 0.00 C ATOM 0 H ALA A 64 -2.525 11.236 -2.131 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.701 9.995 -4.531 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.361 9.289 -4.149 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.648 10.954 -3.590 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.552 9.624 -2.412 1.00 0.00 H new ATOM 985 N ALA A 65 -2.949 7.798 -2.125 1.00 0.00 N ATOM 986 CA ALA A 65 -3.283 6.410 -1.830 1.00 0.00 C ATOM 987 C ALA A 65 -4.777 6.156 -2.005 1.00 0.00 C ATOM 988 O ALA A 65 -5.181 5.131 -2.553 1.00 0.00 O ATOM 989 CB ALA A 65 -2.847 6.051 -0.417 1.00 0.00 C ATOM 0 H ALA A 65 -2.911 8.406 -1.307 1.00 0.00 H new ATOM 0 HA ALA A 65 -2.748 5.775 -2.536 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.103 5.012 -0.210 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.769 6.185 -0.324 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.356 6.699 0.297 1.00 0.00 H new ATOM 995 N ALA A 66 -5.591 7.096 -1.536 1.00 0.00 N ATOM 996 CA ALA A 66 -7.040 6.974 -1.643 1.00 0.00 C ATOM 997 C ALA A 66 -7.475 6.850 -3.099 1.00 0.00 C ATOM 998 O ALA A 66 -8.321 6.022 -3.435 1.00 0.00 O ATOM 999 CB ALA A 66 -7.719 8.167 -0.987 1.00 0.00 C ATOM 0 H ALA A 66 -5.272 7.950 -1.078 1.00 0.00 H new ATOM 0 HA ALA A 66 -7.343 6.065 -1.123 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -8.801 8.063 -1.074 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.442 8.209 0.066 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.401 9.084 -1.483 1.00 0.00 H new ATOM 1005 N MET A 67 -6.891 7.678 -3.959 1.00 0.00 N ATOM 1006 CA MET A 67 -7.219 7.660 -5.380 1.00 0.00 C ATOM 1007 C MET A 67 -6.451 6.557 -6.101 1.00 0.00 C ATOM 1008 O MET A 67 -6.920 6.013 -7.100 1.00 0.00 O ATOM 1009 CB MET A 67 -6.905 9.016 -6.015 1.00 0.00 C ATOM 1010 CG MET A 67 -5.436 9.399 -5.933 1.00 0.00 C ATOM 1011 SD MET A 67 -4.959 10.595 -7.195 1.00 0.00 S ATOM 1012 CE MET A 67 -3.991 11.746 -6.223 1.00 0.00 C ATOM 0 H MET A 67 -6.189 8.370 -3.697 1.00 0.00 H new ATOM 0 HA MET A 67 -8.286 7.459 -5.479 1.00 0.00 H new ATOM 0 HB2 MET A 67 -7.209 8.997 -7.061 1.00 0.00 H new ATOM 0 HB3 MET A 67 -7.501 9.785 -5.523 1.00 0.00 H new ATOM 0 HG2 MET A 67 -5.227 9.814 -4.947 1.00 0.00 H new ATOM 0 HG3 MET A 67 -4.824 8.503 -6.038 1.00 0.00 H new ATOM 0 HE1 MET A 67 -4.311 12.765 -6.441 1.00 0.00 H new ATOM 0 HE2 MET A 67 -4.136 11.539 -5.163 1.00 0.00 H new ATOM 0 HE3 MET A 67 -2.936 11.636 -6.473 1.00 0.00 H new ATOM 1022 N ALA A 68 -5.269 6.232 -5.587 1.00 0.00 N ATOM 1023 CA ALA A 68 -4.438 5.193 -6.181 1.00 0.00 C ATOM 1024 C ALA A 68 -5.120 3.832 -6.102 1.00 0.00 C ATOM 1025 O ALA A 68 -4.965 2.997 -6.994 1.00 0.00 O ATOM 1026 CB ALA A 68 -3.081 5.146 -5.495 1.00 0.00 C ATOM 0 H ALA A 68 -4.866 6.674 -4.761 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.293 5.436 -7.233 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.471 4.365 -5.949 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.582 6.109 -5.609 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.216 4.930 -4.435 1.00 0.00 H new ATOM 1032 N ARG A 69 -5.874 3.614 -5.030 1.00 0.00 N ATOM 1033 CA ARG A 69 -6.579 2.353 -4.834 1.00 0.00 C ATOM 1034 C ARG A 69 -7.783 2.253 -5.765 1.00 0.00 C ATOM 1035 O ARG A 69 -8.063 1.191 -6.322 1.00 0.00 O ATOM 1036 CB ARG A 69 -7.033 2.218 -3.380 1.00 0.00 C ATOM 1037 CG ARG A 69 -7.854 3.398 -2.886 1.00 0.00 C ATOM 1038 CD ARG A 69 -8.626 3.050 -1.623 1.00 0.00 C ATOM 1039 NE ARG A 69 -9.803 3.897 -1.449 1.00 0.00 N ATOM 1040 CZ ARG A 69 -10.946 3.709 -2.100 1.00 0.00 C ATOM 1041 NH1 ARG A 69 -11.065 2.709 -2.961 1.00 0.00 N ATOM 1042 NH2 ARG A 69 -11.972 4.522 -1.888 1.00 0.00 N ATOM 0 H ARG A 69 -6.013 4.295 -4.283 1.00 0.00 H new ATOM 0 HA ARG A 69 -5.891 1.541 -5.069 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -7.622 1.307 -3.275 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -6.156 2.105 -2.743 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -7.195 4.244 -2.690 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -8.550 3.710 -3.665 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -8.934 2.005 -1.663 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -7.972 3.156 -0.758 1.00 0.00 H new ATOM 0 HE ARG A 69 -9.744 4.675 -0.792 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -10.278 2.081 -3.125 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -11.944 2.567 -3.459 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -11.884 5.292 -1.225 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -12.849 4.377 -2.388 1.00 0.00 H new ATOM 1056 N ARG A 70 -8.492 3.365 -5.929 1.00 0.00 N ATOM 1057 CA ARG A 70 -9.667 3.402 -6.791 1.00 0.00 C ATOM 1058 C ARG A 70 -9.316 2.960 -8.209 1.00 0.00 C ATOM 1059 O ARG A 70 -10.198 2.676 -9.019 1.00 0.00 O ATOM 1060 CB ARG A 70 -10.263 4.811 -6.818 1.00 0.00 C ATOM 1061 CG ARG A 70 -11.402 4.972 -7.811 1.00 0.00 C ATOM 1062 CD ARG A 70 -12.283 6.161 -7.459 1.00 0.00 C ATOM 1063 NE ARG A 70 -13.555 6.131 -8.177 1.00 0.00 N ATOM 1064 CZ ARG A 70 -13.700 6.541 -9.432 1.00 0.00 C ATOM 1065 NH1 ARG A 70 -12.658 7.009 -10.105 1.00 0.00 N ATOM 1066 NH2 ARG A 70 -14.890 6.482 -10.017 1.00 0.00 N ATOM 0 H ARG A 70 -8.273 4.252 -5.476 1.00 0.00 H new ATOM 0 HA ARG A 70 -10.405 2.710 -6.385 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -10.624 5.063 -5.821 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -9.476 5.525 -7.062 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -10.996 5.103 -8.814 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -12.004 4.063 -7.827 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -12.473 6.167 -6.386 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -11.756 7.085 -7.694 1.00 0.00 H new ATOM 0 HE ARG A 70 -14.377 5.776 -7.688 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -11.742 7.055 -9.659 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -12.773 7.323 -11.069 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -15.694 6.122 -9.503 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -15.001 6.797 -10.981 1.00 0.00 H new ATOM 1080 N LYS A 71 -8.021 2.905 -8.502 1.00 0.00 N ATOM 1081 CA LYS A 71 -7.551 2.498 -9.821 1.00 0.00 C ATOM 1082 C LYS A 71 -7.284 0.997 -9.863 1.00 0.00 C ATOM 1083 O LYS A 71 -7.428 0.359 -10.907 1.00 0.00 O ATOM 1084 CB LYS A 71 -6.279 3.264 -10.191 1.00 0.00 C ATOM 1085 CG LYS A 71 -5.823 3.030 -11.620 1.00 0.00 C ATOM 1086 CD LYS A 71 -4.431 3.590 -11.860 1.00 0.00 C ATOM 1087 CE LYS A 71 -3.718 2.851 -12.982 1.00 0.00 C ATOM 1088 NZ LYS A 71 -2.623 3.667 -13.576 1.00 0.00 N ATOM 0 H LYS A 71 -7.278 3.137 -7.843 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.331 2.731 -10.546 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -6.451 4.330 -10.043 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.479 2.973 -9.511 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -5.828 1.961 -11.834 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.528 3.496 -12.309 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.502 4.649 -12.108 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.845 3.516 -10.944 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -3.308 1.917 -12.598 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -4.437 2.588 -13.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -2.173 3.135 -14.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -3.015 4.555 -13.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -1.915 3.882 -12.845 1.00 0.00 H new ATOM 1102 N LEU A 72 -6.895 0.437 -8.723 1.00 0.00 N ATOM 1103 CA LEU A 72 -6.609 -0.990 -8.629 1.00 0.00 C ATOM 1104 C LEU A 72 -7.703 -1.715 -7.851 1.00 0.00 C ATOM 1105 O LEU A 72 -7.647 -2.931 -7.668 1.00 0.00 O ATOM 1106 CB LEU A 72 -5.254 -1.216 -7.956 1.00 0.00 C ATOM 1107 CG LEU A 72 -4.117 -0.303 -8.415 1.00 0.00 C ATOM 1108 CD1 LEU A 72 -2.896 -0.483 -7.526 1.00 0.00 C ATOM 1109 CD2 LEU A 72 -3.765 -0.579 -9.870 1.00 0.00 C ATOM 0 H LEU A 72 -6.770 0.950 -7.850 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.578 -1.396 -9.640 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.380 -1.093 -6.880 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -4.954 -2.250 -8.126 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.452 0.731 -8.333 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.097 0.175 -7.868 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.155 -0.234 -6.497 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.560 -1.519 -7.575 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.954 0.080 -10.179 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.450 -1.617 -9.978 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.639 -0.398 -10.496 1.00 0.00 H new ATOM 1121 N MET A 73 -8.698 -0.960 -7.397 1.00 0.00 N ATOM 1122 CA MET A 73 -9.807 -1.532 -6.642 1.00 0.00 C ATOM 1123 C MET A 73 -10.564 -2.558 -7.479 1.00 0.00 C ATOM 1124 O MET A 73 -10.790 -3.693 -7.058 1.00 0.00 O ATOM 1125 CB MET A 73 -10.762 -0.428 -6.182 1.00 0.00 C ATOM 1126 CG MET A 73 -11.346 -0.666 -4.799 1.00 0.00 C ATOM 1127 SD MET A 73 -12.227 -2.235 -4.678 1.00 0.00 S ATOM 1128 CE MET A 73 -10.959 -3.281 -3.966 1.00 0.00 C ATOM 0 H MET A 73 -8.759 0.048 -7.539 1.00 0.00 H new ATOM 0 HA MET A 73 -9.396 -2.036 -5.767 1.00 0.00 H new ATOM 0 HB2 MET A 73 -10.231 0.524 -6.184 1.00 0.00 H new ATOM 0 HB3 MET A 73 -11.576 -0.341 -6.901 1.00 0.00 H new ATOM 0 HG2 MET A 73 -10.543 -0.647 -4.062 1.00 0.00 H new ATOM 0 HG3 MET A 73 -12.027 0.149 -4.551 1.00 0.00 H new ATOM 0 HE1 MET A 73 -10.787 -4.138 -4.617 1.00 0.00 H new ATOM 0 HE2 MET A 73 -10.035 -2.713 -3.862 1.00 0.00 H new ATOM 0 HE3 MET A 73 -11.283 -3.629 -2.985 1.00 0.00 H new ATOM 1138 N PRO A 74 -10.965 -2.153 -8.693 1.00 0.00 N ATOM 1139 CA PRO A 74 -11.702 -3.023 -9.615 1.00 0.00 C ATOM 1140 C PRO A 74 -10.834 -4.147 -10.169 1.00 0.00 C ATOM 1141 O PRO A 74 -11.286 -4.948 -10.987 1.00 0.00 O ATOM 1142 CB PRO A 74 -12.127 -2.072 -10.737 1.00 0.00 C ATOM 1143 CG PRO A 74 -11.121 -0.973 -10.703 1.00 0.00 C ATOM 1144 CD PRO A 74 -10.730 -0.814 -9.260 1.00 0.00 C ATOM 0 HA PRO A 74 -12.536 -3.524 -9.124 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -12.130 -2.576 -11.703 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -13.135 -1.691 -10.573 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -10.255 -1.218 -11.317 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -11.540 -0.048 -11.098 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -9.688 -0.511 -9.157 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -11.333 -0.055 -8.762 1.00 0.00 H new ATOM 1152 N GLY A 75 -9.584 -4.202 -9.718 1.00 0.00 N ATOM 1153 CA GLY A 75 -8.673 -5.233 -10.180 1.00 0.00 C ATOM 1154 C GLY A 75 -8.424 -5.159 -11.673 1.00 0.00 C ATOM 1155 O GLY A 75 -8.093 -6.164 -12.304 1.00 0.00 O ATOM 0 H GLY A 75 -9.186 -3.551 -9.041 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -7.724 -5.139 -9.651 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.081 -6.213 -9.931 1.00 0.00 H new ATOM 1159 N ARG A 76 -8.583 -3.968 -12.240 1.00 0.00 N ATOM 1160 CA ARG A 76 -8.376 -3.768 -13.669 1.00 0.00 C ATOM 1161 C ARG A 76 -6.906 -3.950 -14.036 1.00 0.00 C ATOM 1162 O ARG A 76 -6.582 -4.416 -15.128 1.00 0.00 O ATOM 1163 CB ARG A 76 -8.847 -2.374 -14.084 1.00 0.00 C ATOM 1164 CG ARG A 76 -10.338 -2.295 -14.370 1.00 0.00 C ATOM 1165 CD ARG A 76 -10.728 -0.932 -14.921 1.00 0.00 C ATOM 1166 NE ARG A 76 -10.494 0.137 -13.954 1.00 0.00 N ATOM 1167 CZ ARG A 76 -9.344 0.794 -13.849 1.00 0.00 C ATOM 1168 NH1 ARG A 76 -8.329 0.492 -14.647 1.00 0.00 N ATOM 1169 NH2 ARG A 76 -9.207 1.754 -12.943 1.00 0.00 N ATOM 0 H ARG A 76 -8.855 -3.127 -11.731 1.00 0.00 H new ATOM 0 HA ARG A 76 -8.962 -4.516 -14.204 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -8.599 -1.666 -13.293 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -8.298 -2.064 -14.973 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -10.614 -3.070 -15.085 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -10.896 -2.492 -13.455 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -10.158 -0.731 -15.828 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -11.781 -0.942 -15.202 1.00 0.00 H new ATOM 0 HE ARG A 76 -11.255 0.393 -13.325 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -8.430 -0.246 -15.344 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -7.447 0.998 -14.564 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -9.985 1.988 -12.326 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -8.324 2.258 -12.863 1.00 0.00 H new ATOM 1183 N ILE A 77 -6.022 -3.579 -13.116 1.00 0.00 N ATOM 1184 CA ILE A 77 -4.587 -3.702 -13.342 1.00 0.00 C ATOM 1185 C ILE A 77 -4.021 -4.927 -12.631 1.00 0.00 C ATOM 1186 O ILE A 77 -4.510 -5.323 -11.574 1.00 0.00 O ATOM 1187 CB ILE A 77 -3.832 -2.449 -12.861 1.00 0.00 C ATOM 1188 CG1 ILE A 77 -4.161 -1.253 -13.758 1.00 0.00 C ATOM 1189 CG2 ILE A 77 -2.333 -2.708 -12.843 1.00 0.00 C ATOM 1190 CD1 ILE A 77 -5.339 -0.439 -13.271 1.00 0.00 C ATOM 0 H ILE A 77 -6.274 -3.191 -12.207 1.00 0.00 H new ATOM 0 HA ILE A 77 -4.445 -3.811 -14.417 1.00 0.00 H new ATOM 0 HB ILE A 77 -4.153 -2.217 -11.845 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -3.286 -0.607 -13.824 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.369 -1.612 -14.766 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.813 -1.813 -12.501 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.115 -3.535 -12.167 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.996 -2.962 -13.848 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -5.515 0.392 -13.955 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -6.226 -1.071 -13.232 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -5.126 -0.050 -12.275 1.00 0.00 H new ATOM 1202 N GLN A 78 -2.988 -5.520 -13.220 1.00 0.00 N ATOM 1203 CA GLN A 78 -2.355 -6.700 -12.642 1.00 0.00 C ATOM 1204 C GLN A 78 -0.839 -6.534 -12.590 1.00 0.00 C ATOM 1205 O GLN A 78 -0.261 -5.773 -13.366 1.00 0.00 O ATOM 1206 CB GLN A 78 -2.715 -7.947 -13.451 1.00 0.00 C ATOM 1207 CG GLN A 78 -4.198 -8.281 -13.424 1.00 0.00 C ATOM 1208 CD GLN A 78 -4.536 -9.500 -14.260 1.00 0.00 C ATOM 1209 OE1 GLN A 78 -5.031 -9.381 -15.381 1.00 0.00 O ATOM 1210 NE2 GLN A 78 -4.270 -10.683 -13.717 1.00 0.00 N ATOM 0 H GLN A 78 -2.572 -5.204 -14.096 1.00 0.00 H new ATOM 0 HA GLN A 78 -2.725 -6.817 -11.624 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -2.402 -7.802 -14.485 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -2.152 -8.796 -13.064 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -4.509 -8.454 -12.394 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -4.766 -7.425 -13.789 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -3.859 -10.736 -12.785 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -4.476 -11.539 -14.232 1.00 0.00 H new ATOM 1219 N LEU A 79 -0.202 -7.249 -11.670 1.00 0.00 N ATOM 1220 CA LEU A 79 1.247 -7.181 -11.516 1.00 0.00 C ATOM 1221 C LEU A 79 1.898 -8.505 -11.902 1.00 0.00 C ATOM 1222 O LEU A 79 1.576 -9.553 -11.342 1.00 0.00 O ATOM 1223 CB LEU A 79 1.610 -6.823 -10.074 1.00 0.00 C ATOM 1224 CG LEU A 79 1.102 -5.472 -9.570 1.00 0.00 C ATOM 1225 CD1 LEU A 79 1.316 -5.347 -8.069 1.00 0.00 C ATOM 1226 CD2 LEU A 79 1.793 -4.333 -10.306 1.00 0.00 C ATOM 0 H LEU A 79 -0.666 -7.883 -11.019 1.00 0.00 H new ATOM 0 HA LEU A 79 1.622 -6.404 -12.182 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.221 -7.602 -9.418 1.00 0.00 H new ATOM 0 HB3 LEU A 79 2.696 -6.839 -9.979 1.00 0.00 H new ATOM 0 HG LEU A 79 0.032 -5.411 -9.770 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.948 -4.379 -7.728 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.774 -6.142 -7.557 1.00 0.00 H new ATOM 0 HD13 LEU A 79 2.379 -5.430 -7.845 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.419 -3.379 -9.934 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.868 -4.391 -10.138 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.587 -4.412 -11.374 1.00 0.00 H new ATOM 1238 N TRP A 80 2.816 -8.449 -12.860 1.00 0.00 N ATOM 1239 CA TRP A 80 3.515 -9.644 -13.319 1.00 0.00 C ATOM 1240 C TRP A 80 2.526 -10.729 -13.730 1.00 0.00 C ATOM 1241 O TRP A 80 2.734 -11.910 -13.454 1.00 0.00 O ATOM 1242 CB TRP A 80 4.442 -10.171 -12.223 1.00 0.00 C ATOM 1243 CG TRP A 80 5.244 -9.095 -11.555 1.00 0.00 C ATOM 1244 CD1 TRP A 80 6.374 -8.498 -12.035 1.00 0.00 C ATOM 1245 CD2 TRP A 80 4.977 -8.491 -10.285 1.00 0.00 C ATOM 1246 NE1 TRP A 80 6.826 -7.559 -11.140 1.00 0.00 N ATOM 1247 CE2 TRP A 80 5.985 -7.534 -10.058 1.00 0.00 C ATOM 1248 CE3 TRP A 80 3.982 -8.663 -9.318 1.00 0.00 C ATOM 1249 CZ2 TRP A 80 6.027 -6.756 -8.905 1.00 0.00 C ATOM 1250 CZ3 TRP A 80 4.025 -7.890 -8.174 1.00 0.00 C ATOM 1251 CH2 TRP A 80 5.041 -6.946 -7.975 1.00 0.00 C ATOM 0 H TRP A 80 3.094 -7.590 -13.334 1.00 0.00 H new ATOM 0 HA TRP A 80 4.112 -9.373 -14.190 1.00 0.00 H new ATOM 0 HB2 TRP A 80 3.846 -10.690 -11.472 1.00 0.00 H new ATOM 0 HB3 TRP A 80 5.122 -10.906 -12.654 1.00 0.00 H new ATOM 0 HD1 TRP A 80 6.844 -8.730 -12.980 1.00 0.00 H new ATOM 0 HE1 TRP A 80 7.653 -6.975 -11.261 1.00 0.00 H new ATOM 0 HE3 TRP A 80 3.194 -9.387 -9.463 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 6.810 -6.028 -8.750 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 3.262 -8.015 -7.420 1.00 0.00 H new ATOM 0 HH2 TRP A 80 5.046 -6.357 -7.070 1.00 0.00 H new ATOM 1262 N GLY A 81 1.447 -10.321 -14.392 1.00 0.00 N ATOM 1263 CA GLY A 81 0.442 -11.271 -14.831 1.00 0.00 C ATOM 1264 C GLY A 81 -0.346 -11.857 -13.675 1.00 0.00 C ATOM 1265 O GLY A 81 -1.155 -12.766 -13.863 1.00 0.00 O ATOM 0 H GLY A 81 1.251 -9.349 -14.632 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.243 -10.778 -15.521 1.00 0.00 H new ATOM 0 HA3 GLY A 81 0.925 -12.077 -15.383 1.00 0.00 H new ATOM 1269 N HIS A 82 -0.108 -11.336 -12.475 1.00 0.00 N ATOM 1270 CA HIS A 82 -0.800 -11.814 -11.284 1.00 0.00 C ATOM 1271 C HIS A 82 -1.863 -10.815 -10.836 1.00 0.00 C ATOM 1272 O HIS A 82 -1.624 -9.608 -10.819 1.00 0.00 O ATOM 1273 CB HIS A 82 0.197 -12.057 -10.151 1.00 0.00 C ATOM 1274 CG HIS A 82 1.034 -13.284 -10.344 1.00 0.00 C ATOM 1275 ND1 HIS A 82 1.537 -14.025 -9.295 1.00 0.00 N ATOM 1276 CD2 HIS A 82 1.455 -13.901 -11.473 1.00 0.00 C ATOM 1277 CE1 HIS A 82 2.232 -15.043 -9.770 1.00 0.00 C ATOM 1278 NE2 HIS A 82 2.198 -14.990 -11.090 1.00 0.00 N ATOM 0 H HIS A 82 0.558 -10.583 -12.302 1.00 0.00 H new ATOM 0 HA HIS A 82 -1.291 -12.755 -11.533 1.00 0.00 H new ATOM 0 HB2 HIS A 82 0.852 -11.190 -10.062 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -0.348 -12.143 -9.211 1.00 0.00 H new ATOM 0 HD2 HIS A 82 1.245 -13.594 -12.487 1.00 0.00 H new ATOM 0 HE1 HIS A 82 2.741 -15.791 -9.180 1.00 0.00 H new ATOM 0 HE2 HIS A 82 2.650 -15.651 -11.722 1.00 0.00 H new ATOM 1286 N GLN A 83 -3.035 -11.327 -10.475 1.00 0.00 N ATOM 1287 CA GLN A 83 -4.134 -10.478 -10.028 1.00 0.00 C ATOM 1288 C GLN A 83 -3.803 -9.817 -8.694 1.00 0.00 C ATOM 1289 O GLN A 83 -3.331 -10.473 -7.765 1.00 0.00 O ATOM 1290 CB GLN A 83 -5.419 -11.298 -9.900 1.00 0.00 C ATOM 1291 CG GLN A 83 -6.611 -10.488 -9.416 1.00 0.00 C ATOM 1292 CD GLN A 83 -7.935 -11.168 -9.704 1.00 0.00 C ATOM 1293 OE1 GLN A 83 -7.973 -12.324 -10.128 1.00 0.00 O ATOM 1294 NE2 GLN A 83 -9.030 -10.454 -9.476 1.00 0.00 N ATOM 0 H GLN A 83 -3.248 -12.324 -10.483 1.00 0.00 H new ATOM 0 HA GLN A 83 -4.283 -9.696 -10.773 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -5.658 -11.737 -10.868 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -5.246 -12.123 -9.209 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -6.519 -10.320 -8.343 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -6.598 -9.509 -9.895 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -8.953 -9.500 -9.125 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -9.949 -10.860 -9.652 1.00 0.00 H new ATOM 1303 N ILE A 84 -4.054 -8.515 -8.607 1.00 0.00 N ATOM 1304 CA ILE A 84 -3.784 -7.766 -7.387 1.00 0.00 C ATOM 1305 C ILE A 84 -5.015 -6.986 -6.936 1.00 0.00 C ATOM 1306 O ILE A 84 -5.880 -6.651 -7.744 1.00 0.00 O ATOM 1307 CB ILE A 84 -2.611 -6.786 -7.576 1.00 0.00 C ATOM 1308 CG1 ILE A 84 -2.852 -5.897 -8.797 1.00 0.00 C ATOM 1309 CG2 ILE A 84 -1.302 -7.548 -7.719 1.00 0.00 C ATOM 1310 CD1 ILE A 84 -3.605 -4.624 -8.479 1.00 0.00 C ATOM 0 H ILE A 84 -4.444 -7.957 -9.367 1.00 0.00 H new ATOM 0 HA ILE A 84 -3.518 -8.495 -6.622 1.00 0.00 H new ATOM 0 HB ILE A 84 -2.544 -6.149 -6.694 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -1.892 -5.639 -9.244 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.410 -6.462 -9.544 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.482 -6.842 -7.852 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -1.127 -8.142 -6.822 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.357 -8.207 -8.586 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -3.740 -4.043 -9.392 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -4.580 -4.873 -8.060 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -3.039 -4.037 -7.756 1.00 0.00 H new ATOM 1322 N ALA A 85 -5.085 -6.700 -5.640 1.00 0.00 N ATOM 1323 CA ALA A 85 -6.208 -5.957 -5.082 1.00 0.00 C ATOM 1324 C ALA A 85 -5.737 -4.961 -4.027 1.00 0.00 C ATOM 1325 O ALA A 85 -4.823 -5.247 -3.253 1.00 0.00 O ATOM 1326 CB ALA A 85 -7.232 -6.913 -4.489 1.00 0.00 C ATOM 0 H ALA A 85 -4.378 -6.971 -4.957 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.678 -5.396 -5.890 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -8.065 -6.344 -4.076 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.600 -7.581 -5.268 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.766 -7.500 -3.698 1.00 0.00 H new ATOM 1332 N VAL A 86 -6.367 -3.791 -4.001 1.00 0.00 N ATOM 1333 CA VAL A 86 -6.013 -2.753 -3.041 1.00 0.00 C ATOM 1334 C VAL A 86 -7.065 -2.637 -1.944 1.00 0.00 C ATOM 1335 O VAL A 86 -8.264 -2.605 -2.222 1.00 0.00 O ATOM 1336 CB VAL A 86 -5.849 -1.384 -3.728 1.00 0.00 C ATOM 1337 CG1 VAL A 86 -4.604 -1.371 -4.601 1.00 0.00 C ATOM 1338 CG2 VAL A 86 -7.087 -1.048 -4.545 1.00 0.00 C ATOM 0 H VAL A 86 -7.126 -3.538 -4.634 1.00 0.00 H new ATOM 0 HA VAL A 86 -5.061 -3.044 -2.598 1.00 0.00 H new ATOM 0 HB VAL A 86 -5.731 -0.621 -2.958 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -4.504 -0.396 -5.078 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -3.726 -1.565 -3.985 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.688 -2.143 -5.366 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -6.955 -0.078 -5.024 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.238 -1.812 -5.308 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -7.957 -1.013 -3.890 1.00 0.00 H new ATOM 1348 N ASP A 87 -6.609 -2.573 -0.698 1.00 0.00 N ATOM 1349 CA ASP A 87 -7.512 -2.458 0.441 1.00 0.00 C ATOM 1350 C ASP A 87 -7.032 -1.379 1.408 1.00 0.00 C ATOM 1351 O ASP A 87 -5.850 -1.038 1.436 1.00 0.00 O ATOM 1352 CB ASP A 87 -7.623 -3.799 1.168 1.00 0.00 C ATOM 1353 CG ASP A 87 -8.694 -4.692 0.574 1.00 0.00 C ATOM 1354 OD1 ASP A 87 -9.779 -4.174 0.235 1.00 0.00 O ATOM 1355 OD2 ASP A 87 -8.447 -5.909 0.447 1.00 0.00 O ATOM 0 H ASP A 87 -5.620 -2.599 -0.451 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.496 -2.174 0.067 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -6.662 -4.312 1.127 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -7.845 -3.621 2.220 1.00 0.00 H new ATOM 1360 N TRP A 88 -7.957 -0.846 2.197 1.00 0.00 N ATOM 1361 CA TRP A 88 -7.629 0.195 3.165 1.00 0.00 C ATOM 1362 C TRP A 88 -6.909 -0.393 4.373 1.00 0.00 C ATOM 1363 O TRP A 88 -7.505 -1.116 5.171 1.00 0.00 O ATOM 1364 CB TRP A 88 -8.898 0.921 3.614 1.00 0.00 C ATOM 1365 CG TRP A 88 -9.236 2.108 2.764 1.00 0.00 C ATOM 1366 CD1 TRP A 88 -10.425 2.357 2.140 1.00 0.00 C ATOM 1367 CD2 TRP A 88 -8.375 3.206 2.444 1.00 0.00 C ATOM 1368 NE1 TRP A 88 -10.354 3.544 1.451 1.00 0.00 N ATOM 1369 CE2 TRP A 88 -9.107 4.084 1.622 1.00 0.00 C ATOM 1370 CE3 TRP A 88 -7.057 3.533 2.772 1.00 0.00 C ATOM 1371 CZ2 TRP A 88 -8.564 5.266 1.125 1.00 0.00 C ATOM 1372 CZ3 TRP A 88 -6.519 4.707 2.278 1.00 0.00 C ATOM 1373 CH2 TRP A 88 -7.271 5.562 1.463 1.00 0.00 C ATOM 0 H TRP A 88 -8.940 -1.117 2.186 1.00 0.00 H new ATOM 0 HA TRP A 88 -6.963 0.910 2.682 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -9.734 0.221 3.597 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -8.776 1.246 4.647 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -11.293 1.716 2.182 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -11.108 3.956 0.901 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -6.469 2.880 3.400 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -9.142 5.926 0.495 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -5.501 4.969 2.525 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -6.822 6.472 1.094 1.00 0.00 H new ATOM 1384 N ALA A 89 -5.625 -0.077 4.503 1.00 0.00 N ATOM 1385 CA ALA A 89 -4.825 -0.573 5.616 1.00 0.00 C ATOM 1386 C ALA A 89 -5.062 0.255 6.874 1.00 0.00 C ATOM 1387 O ALA A 89 -5.452 1.420 6.797 1.00 0.00 O ATOM 1388 CB ALA A 89 -3.348 -0.567 5.249 1.00 0.00 C ATOM 0 H ALA A 89 -5.116 0.520 3.851 1.00 0.00 H new ATOM 0 HA ALA A 89 -5.132 -1.598 5.823 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -2.763 -0.940 6.090 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -3.186 -1.207 4.382 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.036 0.450 5.013 1.00 0.00 H new ATOM 1394 N GLU A 90 -4.826 -0.354 8.032 1.00 0.00 N ATOM 1395 CA GLU A 90 -5.016 0.329 9.307 1.00 0.00 C ATOM 1396 C GLU A 90 -3.804 0.135 10.214 1.00 0.00 C ATOM 1397 O GLU A 90 -3.510 -0.969 10.672 1.00 0.00 O ATOM 1398 CB GLU A 90 -6.276 -0.188 10.004 1.00 0.00 C ATOM 1399 CG GLU A 90 -6.194 -1.652 10.403 1.00 0.00 C ATOM 1400 CD GLU A 90 -7.548 -2.335 10.396 1.00 0.00 C ATOM 1401 OE1 GLU A 90 -8.229 -2.313 11.443 1.00 0.00 O ATOM 1402 OE2 GLU A 90 -7.927 -2.891 9.344 1.00 0.00 O ATOM 0 H GLU A 90 -4.503 -1.318 8.114 1.00 0.00 H new ATOM 0 HA GLU A 90 -5.131 1.394 9.106 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.461 0.413 10.895 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.131 -0.048 9.342 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -5.524 -2.174 9.720 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -5.757 -1.730 11.399 1.00 0.00 H new ATOM 1409 N PRO A 91 -3.082 1.234 10.478 1.00 0.00 N ATOM 1410 CA PRO A 91 -1.891 1.212 11.332 1.00 0.00 C ATOM 1411 C PRO A 91 -2.232 0.964 12.797 1.00 0.00 C ATOM 1412 O PRO A 91 -1.645 0.095 13.441 1.00 0.00 O ATOM 1413 CB PRO A 91 -1.298 2.612 11.150 1.00 0.00 C ATOM 1414 CG PRO A 91 -2.456 3.466 10.765 1.00 0.00 C ATOM 1415 CD PRO A 91 -3.374 2.583 9.965 1.00 0.00 C ATOM 0 HA PRO A 91 -1.209 0.407 11.059 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -0.832 2.967 12.069 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -0.527 2.619 10.379 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -2.962 3.858 11.647 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -2.130 4.324 10.177 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -4.420 2.852 10.113 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -3.174 2.659 8.896 1.00 0.00 H new ATOM 1423 N GLU A 92 -3.184 1.733 13.317 1.00 0.00 N ATOM 1424 CA GLU A 92 -3.602 1.595 14.707 1.00 0.00 C ATOM 1425 C GLU A 92 -5.067 1.986 14.876 1.00 0.00 C ATOM 1426 O GLU A 92 -5.437 3.145 14.686 1.00 0.00 O ATOM 1427 CB GLU A 92 -2.724 2.460 15.615 1.00 0.00 C ATOM 1428 CG GLU A 92 -2.553 3.885 15.117 1.00 0.00 C ATOM 1429 CD GLU A 92 -1.687 4.724 16.037 1.00 0.00 C ATOM 1430 OE1 GLU A 92 -0.446 4.631 15.933 1.00 0.00 O ATOM 1431 OE2 GLU A 92 -2.251 5.474 16.861 1.00 0.00 O ATOM 0 H GLU A 92 -3.680 2.457 12.797 1.00 0.00 H new ATOM 0 HA GLU A 92 -3.488 0.549 14.992 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -3.160 2.483 16.614 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -1.742 1.996 15.707 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -2.109 3.867 14.122 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -3.533 4.352 15.020 1.00 0.00 H new ATOM 1438 N ILE A 93 -5.896 1.011 15.233 1.00 0.00 N ATOM 1439 CA ILE A 93 -7.320 1.252 15.427 1.00 0.00 C ATOM 1440 C ILE A 93 -7.618 1.655 16.867 1.00 0.00 C ATOM 1441 O ILE A 93 -6.708 1.788 17.686 1.00 0.00 O ATOM 1442 CB ILE A 93 -8.156 0.008 15.071 1.00 0.00 C ATOM 1443 CG1 ILE A 93 -7.439 -0.827 14.008 1.00 0.00 C ATOM 1444 CG2 ILE A 93 -9.538 0.420 14.586 1.00 0.00 C ATOM 1445 CD1 ILE A 93 -6.475 -1.840 14.585 1.00 0.00 C ATOM 0 H ILE A 93 -5.606 0.046 15.394 1.00 0.00 H new ATOM 0 HA ILE A 93 -7.595 2.068 14.759 1.00 0.00 H new ATOM 0 HB ILE A 93 -8.274 -0.602 15.967 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -8.182 -1.348 13.404 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -6.895 -0.160 13.339 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -10.117 -0.470 14.338 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -10.048 0.978 15.372 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -9.441 1.048 13.700 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -6.003 -2.396 13.775 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -5.710 -1.325 15.165 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -7.017 -2.531 15.231 1.00 0.00 H new ATOM 1457 N ASP A 94 -8.897 1.846 17.170 1.00 0.00 N ATOM 1458 CA ASP A 94 -9.316 2.231 18.513 1.00 0.00 C ATOM 1459 C ASP A 94 -9.661 1.002 19.348 1.00 0.00 C ATOM 1460 O ASP A 94 -10.559 1.042 20.190 1.00 0.00 O ATOM 1461 CB ASP A 94 -10.520 3.172 18.445 1.00 0.00 C ATOM 1462 CG ASP A 94 -10.693 3.983 19.714 1.00 0.00 C ATOM 1463 OD1 ASP A 94 -10.612 3.393 20.812 1.00 0.00 O ATOM 1464 OD2 ASP A 94 -10.909 5.209 19.609 1.00 0.00 O ATOM 0 H ASP A 94 -9.662 1.741 16.504 1.00 0.00 H new ATOM 0 HA ASP A 94 -8.486 2.751 18.991 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -10.402 3.848 17.598 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -11.423 2.589 18.264 1.00 0.00 H new ATOM 1469 N VAL A 95 -8.943 -0.091 19.109 1.00 0.00 N ATOM 1470 CA VAL A 95 -9.173 -1.332 19.838 1.00 0.00 C ATOM 1471 C VAL A 95 -8.419 -1.339 21.163 1.00 0.00 C ATOM 1472 O VAL A 95 -8.945 -1.775 22.187 1.00 0.00 O ATOM 1473 CB VAL A 95 -8.745 -2.558 19.010 1.00 0.00 C ATOM 1474 CG1 VAL A 95 -9.588 -2.671 17.749 1.00 0.00 C ATOM 1475 CG2 VAL A 95 -7.265 -2.477 18.666 1.00 0.00 C ATOM 0 H VAL A 95 -8.197 -0.142 18.416 1.00 0.00 H new ATOM 0 HA VAL A 95 -10.244 -1.390 20.032 1.00 0.00 H new ATOM 0 HB VAL A 95 -8.908 -3.454 19.609 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -9.271 -3.543 17.177 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -10.638 -2.778 18.022 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -9.460 -1.774 17.144 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -6.979 -3.351 18.081 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -7.075 -1.574 18.086 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -6.679 -2.448 19.585 1.00 0.00 H new ATOM 1485 N ASP A 96 -7.183 -0.852 21.136 1.00 0.00 N ATOM 1486 CA ASP A 96 -6.355 -0.801 22.335 1.00 0.00 C ATOM 1487 C ASP A 96 -7.049 -0.011 23.441 1.00 0.00 C ATOM 1488 O ASP A 96 -7.044 -0.417 24.603 1.00 0.00 O ATOM 1489 CB ASP A 96 -4.998 -0.171 22.017 1.00 0.00 C ATOM 1490 CG ASP A 96 -4.273 -0.893 20.899 1.00 0.00 C ATOM 1491 OD1 ASP A 96 -4.533 -2.099 20.703 1.00 0.00 O ATOM 1492 OD2 ASP A 96 -3.445 -0.252 20.218 1.00 0.00 O ATOM 0 H ASP A 96 -6.733 -0.487 20.297 1.00 0.00 H new ATOM 0 HA ASP A 96 -6.200 -1.822 22.684 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -5.142 0.873 21.738 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -4.378 -0.179 22.913 1.00 0.00 H new ATOM 1497 N GLU A 97 -7.645 1.118 23.070 1.00 0.00 N ATOM 1498 CA GLU A 97 -8.341 1.965 24.032 1.00 0.00 C ATOM 1499 C GLU A 97 -9.704 1.376 24.388 1.00 0.00 C ATOM 1500 O GLU A 97 -9.990 1.108 25.555 1.00 0.00 O ATOM 1501 CB GLU A 97 -8.514 3.377 23.470 1.00 0.00 C ATOM 1502 CG GLU A 97 -8.543 4.458 24.537 1.00 0.00 C ATOM 1503 CD GLU A 97 -7.304 4.447 25.412 1.00 0.00 C ATOM 1504 OE1 GLU A 97 -7.254 3.638 26.362 1.00 0.00 O ATOM 1505 OE2 GLU A 97 -6.384 5.248 25.145 1.00 0.00 O ATOM 0 H GLU A 97 -7.660 1.467 22.112 1.00 0.00 H new ATOM 0 HA GLU A 97 -7.738 2.014 24.938 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -7.699 3.585 22.776 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -9.440 3.420 22.896 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -8.637 5.433 24.059 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -9.426 4.323 25.162 1.00 0.00 H new ATOM 1512 N ASP A 98 -10.539 1.180 23.374 1.00 0.00 N ATOM 1513 CA ASP A 98 -11.872 0.623 23.579 1.00 0.00 C ATOM 1514 C ASP A 98 -12.176 -0.453 22.541 1.00 0.00 C ATOM 1515 O ASP A 98 -12.435 -0.151 21.376 1.00 0.00 O ATOM 1516 CB ASP A 98 -12.926 1.729 23.510 1.00 0.00 C ATOM 1517 CG ASP A 98 -12.920 2.613 24.742 1.00 0.00 C ATOM 1518 OD1 ASP A 98 -13.255 2.109 25.834 1.00 0.00 O ATOM 1519 OD2 ASP A 98 -12.580 3.808 24.614 1.00 0.00 O ATOM 0 H ASP A 98 -10.317 1.398 22.403 1.00 0.00 H new ATOM 0 HA ASP A 98 -11.901 0.166 24.568 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -12.748 2.342 22.626 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -13.912 1.280 23.393 1.00 0.00 H new ATOM 1524 N VAL A 99 -12.143 -1.710 22.972 1.00 0.00 N ATOM 1525 CA VAL A 99 -12.416 -2.831 22.081 1.00 0.00 C ATOM 1526 C VAL A 99 -13.815 -3.389 22.313 1.00 0.00 C ATOM 1527 O VAL A 99 -14.421 -3.968 21.411 1.00 0.00 O ATOM 1528 CB VAL A 99 -11.386 -3.961 22.269 1.00 0.00 C ATOM 1529 CG1 VAL A 99 -11.549 -4.609 23.636 1.00 0.00 C ATOM 1530 CG2 VAL A 99 -11.521 -4.994 21.161 1.00 0.00 C ATOM 0 H VAL A 99 -11.930 -1.977 23.933 1.00 0.00 H new ATOM 0 HA VAL A 99 -12.345 -2.450 21.062 1.00 0.00 H new ATOM 0 HB VAL A 99 -10.386 -3.531 22.214 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -10.813 -5.405 23.751 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -11.399 -3.860 24.414 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -12.552 -5.027 23.723 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -10.786 -5.785 21.309 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -12.523 -5.422 21.182 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -11.351 -4.517 20.196 1.00 0.00 H new ATOM 1540 N MET A 100 -14.324 -3.212 23.528 1.00 0.00 N ATOM 1541 CA MET A 100 -15.654 -3.697 23.877 1.00 0.00 C ATOM 1542 C MET A 100 -16.475 -2.598 24.546 1.00 0.00 C ATOM 1543 O MET A 100 -15.995 -1.481 24.735 1.00 0.00 O ATOM 1544 CB MET A 100 -15.550 -4.908 24.806 1.00 0.00 C ATOM 1545 CG MET A 100 -15.308 -4.540 26.261 1.00 0.00 C ATOM 1546 SD MET A 100 -15.183 -5.986 27.331 1.00 0.00 S ATOM 1547 CE MET A 100 -16.493 -5.651 28.506 1.00 0.00 C ATOM 0 H MET A 100 -13.836 -2.737 24.287 1.00 0.00 H new ATOM 0 HA MET A 100 -16.158 -3.995 22.958 1.00 0.00 H new ATOM 0 HB2 MET A 100 -16.469 -5.490 24.735 1.00 0.00 H new ATOM 0 HB3 MET A 100 -14.739 -5.550 24.463 1.00 0.00 H new ATOM 0 HG2 MET A 100 -14.390 -3.956 26.336 1.00 0.00 H new ATOM 0 HG3 MET A 100 -16.120 -3.903 26.611 1.00 0.00 H new ATOM 0 HE1 MET A 100 -16.905 -6.592 28.870 1.00 0.00 H new ATOM 0 HE2 MET A 100 -16.093 -5.081 29.345 1.00 0.00 H new ATOM 0 HE3 MET A 100 -17.280 -5.075 28.019 1.00 0.00 H new ATOM 1557 N GLU A 101 -17.714 -2.924 24.899 1.00 0.00 N ATOM 1558 CA GLU A 101 -18.601 -1.963 25.545 1.00 0.00 C ATOM 1559 C GLU A 101 -18.484 -2.050 27.064 1.00 0.00 C ATOM 1560 O GLU A 101 -19.202 -2.813 27.712 1.00 0.00 O ATOM 1561 CB GLU A 101 -20.050 -2.207 25.119 1.00 0.00 C ATOM 1562 CG GLU A 101 -20.425 -1.524 23.815 1.00 0.00 C ATOM 1563 CD GLU A 101 -21.912 -1.248 23.707 1.00 0.00 C ATOM 1564 OE1 GLU A 101 -22.709 -2.138 24.070 1.00 0.00 O ATOM 1565 OE2 GLU A 101 -22.278 -0.141 23.259 1.00 0.00 O ATOM 0 H GLU A 101 -18.126 -3.845 24.749 1.00 0.00 H new ATOM 0 HA GLU A 101 -18.301 -0.963 25.232 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -20.214 -3.280 25.018 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -20.716 -1.856 25.908 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -19.878 -0.585 23.731 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -20.114 -2.150 22.979 1.00 0.00 H new ATOM 1572 N THR A 102 -17.572 -1.263 27.628 1.00 0.00 N ATOM 1573 CA THR A 102 -17.359 -1.252 29.069 1.00 0.00 C ATOM 1574 C THR A 102 -17.554 0.147 29.643 1.00 0.00 C ATOM 1575 O THR A 102 -17.855 1.092 28.913 1.00 0.00 O ATOM 1576 CB THR A 102 -15.947 -1.751 29.432 1.00 0.00 C ATOM 1577 OG1 THR A 102 -15.743 -1.656 30.846 1.00 0.00 O ATOM 1578 CG2 THR A 102 -14.884 -0.942 28.705 1.00 0.00 C ATOM 0 H THR A 102 -16.970 -0.625 27.108 1.00 0.00 H new ATOM 0 HA THR A 102 -18.098 -1.926 29.503 1.00 0.00 H new ATOM 0 HB THR A 102 -15.862 -2.793 29.122 1.00 0.00 H new ATOM 0 HG1 THR A 102 -14.844 -1.977 31.069 1.00 0.00 H new ATOM 0 HG21 THR A 102 -13.896 -1.312 28.977 1.00 0.00 H new ATOM 0 HG22 THR A 102 -15.025 -1.040 27.629 1.00 0.00 H new ATOM 0 HG23 THR A 102 -14.969 0.107 28.988 1.00 0.00 H new ATOM 1586 N VAL A 103 -17.379 0.273 30.954 1.00 0.00 N ATOM 1587 CA VAL A 103 -17.534 1.558 31.626 1.00 0.00 C ATOM 1588 C VAL A 103 -18.719 2.334 31.061 1.00 0.00 C ATOM 1589 O VAL A 103 -18.747 3.564 31.106 1.00 0.00 O ATOM 1590 CB VAL A 103 -16.262 2.417 31.495 1.00 0.00 C ATOM 1591 CG1 VAL A 103 -16.096 2.911 30.066 1.00 0.00 C ATOM 1592 CG2 VAL A 103 -16.306 3.584 32.470 1.00 0.00 C ATOM 0 H VAL A 103 -17.130 -0.499 31.572 1.00 0.00 H new ATOM 0 HA VAL A 103 -17.712 1.345 32.680 1.00 0.00 H new ATOM 0 HB VAL A 103 -15.399 1.799 31.742 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -15.192 3.516 29.993 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -16.017 2.057 29.393 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -16.960 3.514 29.787 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -15.400 4.181 32.364 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -17.176 4.205 32.256 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -16.373 3.204 33.489 1.00 0.00 H new ATOM 1602 N SER A 104 -19.696 1.607 30.529 1.00 0.00 N ATOM 1603 CA SER A 104 -20.883 2.227 29.952 1.00 0.00 C ATOM 1604 C SER A 104 -21.522 3.200 30.939 1.00 0.00 C ATOM 1605 O SER A 104 -21.329 3.090 32.149 1.00 0.00 O ATOM 1606 CB SER A 104 -21.897 1.156 29.544 1.00 0.00 C ATOM 1607 OG SER A 104 -22.256 0.347 30.650 1.00 0.00 O ATOM 0 H SER A 104 -19.689 0.588 30.486 1.00 0.00 H new ATOM 0 HA SER A 104 -20.578 2.784 29.066 1.00 0.00 H new ATOM 0 HB2 SER A 104 -22.787 1.632 29.133 1.00 0.00 H new ATOM 0 HB3 SER A 104 -21.475 0.533 28.755 1.00 0.00 H new ATOM 0 HG SER A 104 -22.906 -0.328 30.364 1.00 0.00 H new ATOM 1613 N GLY A 105 -22.286 4.152 30.411 1.00 0.00 N ATOM 1614 CA GLY A 105 -22.943 5.130 31.258 1.00 0.00 C ATOM 1615 C GLY A 105 -24.070 4.528 32.073 1.00 0.00 C ATOM 1616 O GLY A 105 -23.987 3.393 32.543 1.00 0.00 O ATOM 0 H GLY A 105 -22.461 4.263 29.412 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -22.210 5.574 31.931 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -23.337 5.936 30.639 1.00 0.00 H new ATOM 1620 N PRO A 106 -25.153 5.298 32.253 1.00 0.00 N ATOM 1621 CA PRO A 106 -26.322 4.855 33.018 1.00 0.00 C ATOM 1622 C PRO A 106 -27.101 3.757 32.303 1.00 0.00 C ATOM 1623 O PRO A 106 -27.008 3.609 31.084 1.00 0.00 O ATOM 1624 CB PRO A 106 -27.171 6.124 33.136 1.00 0.00 C ATOM 1625 CG PRO A 106 -26.775 6.954 31.964 1.00 0.00 C ATOM 1626 CD PRO A 106 -25.320 6.662 31.721 1.00 0.00 C ATOM 0 HA PRO A 106 -26.041 4.423 33.979 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -28.236 5.892 33.115 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -26.977 6.645 34.074 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -27.374 6.704 31.089 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -26.932 8.014 32.166 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -25.071 6.713 30.661 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -24.676 7.375 32.235 1.00 0.00 H new ATOM 1634 N SER A 107 -27.870 2.989 33.068 1.00 0.00 N ATOM 1635 CA SER A 107 -28.663 1.901 32.507 1.00 0.00 C ATOM 1636 C SER A 107 -29.669 1.379 33.529 1.00 0.00 C ATOM 1637 O SER A 107 -29.292 0.888 34.593 1.00 0.00 O ATOM 1638 CB SER A 107 -27.751 0.763 32.045 1.00 0.00 C ATOM 1639 OG SER A 107 -28.509 -0.357 31.619 1.00 0.00 O ATOM 0 H SER A 107 -27.961 3.100 34.078 1.00 0.00 H new ATOM 0 HA SER A 107 -29.211 2.289 31.649 1.00 0.00 H new ATOM 0 HB2 SER A 107 -27.117 1.109 31.228 1.00 0.00 H new ATOM 0 HB3 SER A 107 -27.089 0.470 32.860 1.00 0.00 H new ATOM 0 HG SER A 107 -27.903 -1.070 31.327 1.00 0.00 H new ATOM 1645 N SER A 108 -30.951 1.490 33.197 1.00 0.00 N ATOM 1646 CA SER A 108 -32.013 1.034 34.086 1.00 0.00 C ATOM 1647 C SER A 108 -31.927 -0.473 34.306 1.00 0.00 C ATOM 1648 O SER A 108 -31.837 -0.943 35.440 1.00 0.00 O ATOM 1649 CB SER A 108 -33.382 1.399 33.510 1.00 0.00 C ATOM 1650 OG SER A 108 -34.398 1.272 34.489 1.00 0.00 O ATOM 0 H SER A 108 -31.280 1.892 32.319 1.00 0.00 H new ATOM 0 HA SER A 108 -31.887 1.532 35.047 1.00 0.00 H new ATOM 0 HB2 SER A 108 -33.361 2.422 33.134 1.00 0.00 H new ATOM 0 HB3 SER A 108 -33.607 0.752 32.662 1.00 0.00 H new ATOM 0 HG SER A 108 -35.263 1.513 34.096 1.00 0.00 H new ATOM 1656 N GLY A 109 -31.955 -1.228 33.211 1.00 0.00 N ATOM 1657 CA GLY A 109 -31.879 -2.674 33.305 1.00 0.00 C ATOM 1658 C GLY A 109 -33.150 -3.286 33.860 1.00 0.00 C ATOM 1659 O GLY A 109 -34.099 -2.573 34.187 1.00 0.00 O ATOM 0 H GLY A 109 -32.029 -0.864 32.261 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -31.681 -3.089 32.317 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -31.038 -2.950 33.942 1.00 0.00 H new TER 1663 GLY A 109