USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 745 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 7 THR OG1 : rot 180:sc= 0.645 USER MOD Set 1.2: A 64 ASN : amide:sc= 0.705 X(o=1.4,f=1) USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0.0142 USER MOD Single : A 18 THR OG1 : rot 160:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl -130:sc= 0 (180deg=-0.00696) USER MOD Single : A 43 TYR OH : rot 180:sc= 1.25 USER MOD Single : A 48 THR OG1 : rot 63:sc= 1.19 USER MOD Single : A 51 LYS NZ :NH3+ 176:sc= 1.24 (180deg=1.22) USER MOD Single : A 58 LYS NZ :NH3+ -159:sc= 1.24 (180deg=0.686) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0.632 K(o=0.63,f=-0.072) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 TYR OH : rot 148:sc= 0.0857 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot -160:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 167:sc= 1.93 (180deg=1.59) USER MOD Single : A 91 TYR OH : rot 166:sc= 1.2 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.091 USER MOD Single : A 102 SER OG : rot -92:sc= 1.22 USER MOD Single : A 103 HIS : no HE2:sc= 0.693 K(o=0.69,f=-3.1!) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 GLN : amide:sc= 0.832 K(o=0.83,f=0) USER MOD ----------------------------------------------------------------- ATOM 14 N ASP A 2 -2.082 0.139 11.933 1.00 0.00 N ATOM 15 CA ASP A 2 -1.961 -1.224 11.392 1.00 0.00 C ATOM 16 C ASP A 2 -1.171 -1.263 10.071 1.00 0.00 C ATOM 17 O ASP A 2 -0.505 -2.260 9.783 1.00 0.00 O ATOM 18 CB ASP A 2 -3.371 -1.808 11.216 1.00 0.00 C ATOM 19 CG ASP A 2 -4.052 -2.033 12.575 1.00 0.00 C ATOM 20 OD1 ASP A 2 -3.819 -3.102 13.190 1.00 0.00 O ATOM 21 OD2 ASP A 2 -4.796 -1.139 13.051 1.00 0.00 O ATOM 0 HA ASP A 2 -1.393 -1.831 12.097 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -3.975 -1.132 10.611 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -3.312 -2.752 10.675 1.00 0.00 H new ATOM 26 N VAL A 3 -1.172 -0.171 9.304 1.00 0.00 N ATOM 27 CA VAL A 3 -0.306 0.064 8.130 1.00 0.00 C ATOM 28 C VAL A 3 1.112 0.447 8.590 1.00 0.00 C ATOM 29 O VAL A 3 1.269 1.244 9.519 1.00 0.00 O ATOM 30 CB VAL A 3 -0.902 1.207 7.278 1.00 0.00 C ATOM 31 CG1 VAL A 3 -0.015 1.624 6.096 1.00 0.00 C ATOM 32 CG2 VAL A 3 -2.265 0.805 6.704 1.00 0.00 C ATOM 0 H VAL A 3 -1.801 0.612 9.486 1.00 0.00 H new ATOM 0 HA VAL A 3 -0.251 -0.847 7.535 1.00 0.00 H new ATOM 0 HB VAL A 3 -0.988 2.051 7.963 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -0.499 2.430 5.545 1.00 0.00 H new ATOM 0 HG12 VAL A 3 0.950 1.967 6.469 1.00 0.00 H new ATOM 0 HG13 VAL A 3 0.134 0.771 5.434 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.665 1.625 6.108 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -2.149 -0.078 6.075 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -2.952 0.581 7.520 1.00 0.00 H new ATOM 42 N LEU A 4 2.151 -0.075 7.921 1.00 0.00 N ATOM 43 CA LEU A 4 3.537 0.376 8.115 1.00 0.00 C ATOM 44 C LEU A 4 3.744 1.801 7.569 1.00 0.00 C ATOM 45 O LEU A 4 3.663 2.029 6.363 1.00 0.00 O ATOM 46 CB LEU A 4 4.505 -0.579 7.388 1.00 0.00 C ATOM 47 CG LEU A 4 4.746 -1.936 8.060 1.00 0.00 C ATOM 48 CD1 LEU A 4 5.562 -2.810 7.110 1.00 0.00 C ATOM 49 CD2 LEU A 4 5.520 -1.780 9.374 1.00 0.00 C ATOM 0 H LEU A 4 2.054 -0.820 7.231 1.00 0.00 H new ATOM 0 HA LEU A 4 3.739 0.377 9.186 1.00 0.00 H new ATOM 0 HB2 LEU A 4 4.121 -0.757 6.383 1.00 0.00 H new ATOM 0 HB3 LEU A 4 5.465 -0.075 7.278 1.00 0.00 H new ATOM 0 HG LEU A 4 3.780 -2.390 8.282 1.00 0.00 H new ATOM 0 HD11 LEU A 4 5.743 -3.780 7.573 1.00 0.00 H new ATOM 0 HD12 LEU A 4 5.011 -2.949 6.180 1.00 0.00 H new ATOM 0 HD13 LEU A 4 6.515 -2.326 6.898 1.00 0.00 H new ATOM 0 HD21 LEU A 4 5.674 -2.761 9.824 1.00 0.00 H new ATOM 0 HD22 LEU A 4 6.486 -1.317 9.174 1.00 0.00 H new ATOM 0 HD23 LEU A 4 4.951 -1.151 10.059 1.00 0.00 H new ATOM 61 N GLU A 5 4.059 2.765 8.431 1.00 0.00 N ATOM 62 CA GLU A 5 4.483 4.094 8.014 1.00 0.00 C ATOM 63 C GLU A 5 5.994 4.102 7.715 1.00 0.00 C ATOM 64 O GLU A 5 6.824 3.995 8.627 1.00 0.00 O ATOM 65 CB GLU A 5 4.101 5.094 9.115 1.00 0.00 C ATOM 66 CG GLU A 5 4.417 6.520 8.670 1.00 0.00 C ATOM 67 CD GLU A 5 3.857 7.558 9.652 1.00 0.00 C ATOM 68 OE1 GLU A 5 4.533 7.881 10.661 1.00 0.00 O ATOM 69 OE2 GLU A 5 2.733 8.068 9.414 1.00 0.00 O ATOM 0 H GLU A 5 4.026 2.643 9.443 1.00 0.00 H new ATOM 0 HA GLU A 5 3.981 4.386 7.092 1.00 0.00 H new ATOM 0 HB2 GLU A 5 3.039 5.004 9.344 1.00 0.00 H new ATOM 0 HB3 GLU A 5 4.645 4.863 10.030 1.00 0.00 H new ATOM 0 HG2 GLU A 5 5.497 6.644 8.586 1.00 0.00 H new ATOM 0 HG3 GLU A 5 3.998 6.693 7.679 1.00 0.00 H new ATOM 76 N LEU A 6 6.351 4.214 6.431 1.00 0.00 N ATOM 77 CA LEU A 6 7.726 4.122 5.928 1.00 0.00 C ATOM 78 C LEU A 6 8.225 5.438 5.305 1.00 0.00 C ATOM 79 O LEU A 6 7.462 6.311 4.900 1.00 0.00 O ATOM 80 CB LEU A 6 7.815 2.976 4.899 1.00 0.00 C ATOM 81 CG LEU A 6 7.377 1.582 5.387 1.00 0.00 C ATOM 82 CD1 LEU A 6 7.608 0.556 4.279 1.00 0.00 C ATOM 83 CD2 LEU A 6 8.166 1.141 6.617 1.00 0.00 C ATOM 0 H LEU A 6 5.669 4.376 5.690 1.00 0.00 H new ATOM 0 HA LEU A 6 8.375 3.918 6.780 1.00 0.00 H new ATOM 0 HB2 LEU A 6 7.205 3.243 4.036 1.00 0.00 H new ATOM 0 HB3 LEU A 6 8.846 2.908 4.552 1.00 0.00 H new ATOM 0 HG LEU A 6 6.321 1.644 5.649 1.00 0.00 H new ATOM 0 HD11 LEU A 6 7.298 -0.430 4.626 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.025 0.832 3.400 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.666 0.533 4.019 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.828 0.153 6.931 1.00 0.00 H new ATOM 0 HD22 LEU A 6 9.228 1.101 6.373 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.006 1.853 7.426 1.00 0.00 H new ATOM 95 N THR A 7 9.551 5.545 5.206 1.00 0.00 N ATOM 96 CA THR A 7 10.286 6.648 4.558 1.00 0.00 C ATOM 97 C THR A 7 11.690 6.161 4.166 1.00 0.00 C ATOM 98 O THR A 7 12.152 5.139 4.679 1.00 0.00 O ATOM 99 CB THR A 7 10.335 7.886 5.475 1.00 0.00 C ATOM 100 OG1 THR A 7 10.947 8.971 4.825 1.00 0.00 O ATOM 101 CG2 THR A 7 11.091 7.663 6.783 1.00 0.00 C ATOM 0 H THR A 7 10.176 4.836 5.591 1.00 0.00 H new ATOM 0 HA THR A 7 9.765 6.952 3.650 1.00 0.00 H new ATOM 0 HB THR A 7 9.290 8.092 5.709 1.00 0.00 H new ATOM 0 HG1 THR A 7 10.965 9.745 5.426 1.00 0.00 H new ATOM 0 HG21 THR A 7 11.080 8.581 7.371 1.00 0.00 H new ATOM 0 HG22 THR A 7 10.612 6.864 7.349 1.00 0.00 H new ATOM 0 HG23 THR A 7 12.122 7.385 6.564 1.00 0.00 H new ATOM 109 N ASP A 8 12.380 6.876 3.278 1.00 0.00 N ATOM 110 CA ASP A 8 13.677 6.500 2.690 1.00 0.00 C ATOM 111 C ASP A 8 14.773 6.131 3.721 1.00 0.00 C ATOM 112 O ASP A 8 15.662 5.330 3.424 1.00 0.00 O ATOM 113 CB ASP A 8 14.125 7.674 1.810 1.00 0.00 C ATOM 114 CG ASP A 8 15.446 7.388 1.076 1.00 0.00 C ATOM 115 OD1 ASP A 8 15.447 6.567 0.126 1.00 0.00 O ATOM 116 OD2 ASP A 8 16.485 8.006 1.423 1.00 0.00 O ATOM 0 H ASP A 8 12.041 7.773 2.930 1.00 0.00 H new ATOM 0 HA ASP A 8 13.538 5.584 2.115 1.00 0.00 H new ATOM 0 HB2 ASP A 8 13.347 7.894 1.079 1.00 0.00 H new ATOM 0 HB3 ASP A 8 14.242 8.564 2.429 1.00 0.00 H new ATOM 121 N ASP A 9 14.687 6.666 4.945 1.00 0.00 N ATOM 122 CA ASP A 9 15.584 6.353 6.068 1.00 0.00 C ATOM 123 C ASP A 9 15.558 4.874 6.518 1.00 0.00 C ATOM 124 O ASP A 9 16.544 4.389 7.081 1.00 0.00 O ATOM 125 CB ASP A 9 15.212 7.267 7.242 1.00 0.00 C ATOM 126 CG ASP A 9 16.238 7.211 8.386 1.00 0.00 C ATOM 127 OD1 ASP A 9 17.378 7.695 8.200 1.00 0.00 O ATOM 128 OD2 ASP A 9 15.896 6.716 9.485 1.00 0.00 O ATOM 0 H ASP A 9 13.970 7.349 5.190 1.00 0.00 H new ATOM 0 HA ASP A 9 16.604 6.526 5.724 1.00 0.00 H new ATOM 0 HB2 ASP A 9 15.127 8.293 6.885 1.00 0.00 H new ATOM 0 HB3 ASP A 9 14.232 6.980 7.624 1.00 0.00 H new ATOM 133 N ASN A 10 14.450 4.159 6.277 1.00 0.00 N ATOM 134 CA ASN A 10 14.267 2.764 6.715 1.00 0.00 C ATOM 135 C ASN A 10 13.528 1.830 5.730 1.00 0.00 C ATOM 136 O ASN A 10 13.620 0.610 5.878 1.00 0.00 O ATOM 137 CB ASN A 10 13.609 2.751 8.113 1.00 0.00 C ATOM 138 CG ASN A 10 12.113 3.016 8.111 1.00 0.00 C ATOM 139 OD1 ASN A 10 11.302 2.106 8.157 1.00 0.00 O ATOM 140 ND2 ASN A 10 11.685 4.260 8.078 1.00 0.00 N ATOM 0 H ASN A 10 13.649 4.533 5.769 1.00 0.00 H new ATOM 0 HA ASN A 10 15.268 2.335 6.753 1.00 0.00 H new ATOM 0 HB2 ASN A 10 13.792 1.782 8.577 1.00 0.00 H new ATOM 0 HB3 ASN A 10 14.097 3.500 8.736 1.00 0.00 H new ATOM 0 HD21 ASN A 10 10.684 4.455 8.091 1.00 0.00 H new ATOM 0 HD22 ASN A 10 12.354 5.029 8.039 1.00 0.00 H new ATOM 147 N PHE A 11 12.851 2.362 4.706 1.00 0.00 N ATOM 148 CA PHE A 11 12.078 1.621 3.688 1.00 0.00 C ATOM 149 C PHE A 11 12.836 0.429 3.070 1.00 0.00 C ATOM 150 O PHE A 11 12.282 -0.663 2.932 1.00 0.00 O ATOM 151 CB PHE A 11 11.651 2.629 2.611 1.00 0.00 C ATOM 152 CG PHE A 11 10.914 2.066 1.404 1.00 0.00 C ATOM 153 CD1 PHE A 11 11.643 1.631 0.273 1.00 0.00 C ATOM 154 CD2 PHE A 11 9.507 2.055 1.369 1.00 0.00 C ATOM 155 CE1 PHE A 11 10.969 1.181 -0.874 1.00 0.00 C ATOM 156 CE2 PHE A 11 8.832 1.613 0.214 1.00 0.00 C ATOM 157 CZ PHE A 11 9.564 1.179 -0.909 1.00 0.00 C ATOM 0 H PHE A 11 12.822 3.370 4.552 1.00 0.00 H new ATOM 0 HA PHE A 11 11.213 1.169 4.173 1.00 0.00 H new ATOM 0 HB2 PHE A 11 11.014 3.379 3.080 1.00 0.00 H new ATOM 0 HB3 PHE A 11 12.542 3.146 2.255 1.00 0.00 H new ATOM 0 HD1 PHE A 11 12.723 1.645 0.291 1.00 0.00 H new ATOM 0 HD2 PHE A 11 8.944 2.386 2.229 1.00 0.00 H new ATOM 0 HE1 PHE A 11 11.531 0.836 -1.730 1.00 0.00 H new ATOM 0 HE2 PHE A 11 7.752 1.607 0.189 1.00 0.00 H new ATOM 0 HZ PHE A 11 9.046 0.845 -1.796 1.00 0.00 H new ATOM 167 N GLU A 12 14.129 0.612 2.783 1.00 0.00 N ATOM 168 CA GLU A 12 15.032 -0.392 2.184 1.00 0.00 C ATOM 169 C GLU A 12 15.210 -1.676 3.022 1.00 0.00 C ATOM 170 O GLU A 12 15.668 -2.697 2.500 1.00 0.00 O ATOM 171 CB GLU A 12 16.412 0.253 1.951 1.00 0.00 C ATOM 172 CG GLU A 12 16.417 1.345 0.868 1.00 0.00 C ATOM 173 CD GLU A 12 16.279 0.733 -0.538 1.00 0.00 C ATOM 174 OE1 GLU A 12 17.299 0.266 -1.099 1.00 0.00 O ATOM 175 OE2 GLU A 12 15.158 0.732 -1.103 1.00 0.00 O ATOM 0 H GLU A 12 14.600 1.498 2.967 1.00 0.00 H new ATOM 0 HA GLU A 12 14.564 -0.704 1.250 1.00 0.00 H new ATOM 0 HB2 GLU A 12 16.763 0.684 2.889 1.00 0.00 H new ATOM 0 HB3 GLU A 12 17.123 -0.525 1.672 1.00 0.00 H new ATOM 0 HG2 GLU A 12 15.598 2.042 1.046 1.00 0.00 H new ATOM 0 HG3 GLU A 12 17.342 1.918 0.929 1.00 0.00 H new ATOM 182 N SER A 13 14.837 -1.649 4.308 1.00 0.00 N ATOM 183 CA SER A 13 14.879 -2.798 5.237 1.00 0.00 C ATOM 184 C SER A 13 13.487 -3.180 5.772 1.00 0.00 C ATOM 185 O SER A 13 13.365 -3.788 6.835 1.00 0.00 O ATOM 186 CB SER A 13 15.861 -2.516 6.385 1.00 0.00 C ATOM 187 OG SER A 13 17.172 -2.273 5.886 1.00 0.00 O ATOM 0 H SER A 13 14.485 -0.800 4.751 1.00 0.00 H new ATOM 0 HA SER A 13 15.234 -3.660 4.673 1.00 0.00 H new ATOM 0 HB2 SER A 13 15.520 -1.653 6.957 1.00 0.00 H new ATOM 0 HB3 SER A 13 15.880 -3.364 7.069 1.00 0.00 H new ATOM 0 HG SER A 13 17.779 -2.094 6.634 1.00 0.00 H new ATOM 193 N ARG A 14 12.430 -2.809 5.035 1.00 0.00 N ATOM 194 CA ARG A 14 11.011 -3.090 5.351 1.00 0.00 C ATOM 195 C ARG A 14 10.224 -3.605 4.159 1.00 0.00 C ATOM 196 O ARG A 14 9.377 -4.485 4.305 1.00 0.00 O ATOM 197 CB ARG A 14 10.335 -1.789 5.808 1.00 0.00 C ATOM 198 CG ARG A 14 10.953 -1.195 7.084 1.00 0.00 C ATOM 199 CD ARG A 14 10.749 -2.091 8.312 1.00 0.00 C ATOM 200 NE ARG A 14 11.336 -1.473 9.518 1.00 0.00 N ATOM 201 CZ ARG A 14 12.564 -1.620 9.986 1.00 0.00 C ATOM 202 NH1 ARG A 14 13.455 -2.391 9.420 1.00 0.00 N ATOM 203 NH2 ARG A 14 12.929 -0.980 11.063 1.00 0.00 N ATOM 0 H ARG A 14 12.538 -2.284 4.167 1.00 0.00 H new ATOM 0 HA ARG A 14 11.011 -3.859 6.123 1.00 0.00 H new ATOM 0 HB2 ARG A 14 10.399 -1.054 5.006 1.00 0.00 H new ATOM 0 HB3 ARG A 14 9.276 -1.980 5.981 1.00 0.00 H new ATOM 0 HG2 ARG A 14 12.020 -1.038 6.927 1.00 0.00 H new ATOM 0 HG3 ARG A 14 10.512 -0.217 7.275 1.00 0.00 H new ATOM 0 HD2 ARG A 14 9.684 -2.264 8.468 1.00 0.00 H new ATOM 0 HD3 ARG A 14 11.207 -3.064 8.137 1.00 0.00 H new ATOM 0 HE ARG A 14 10.721 -0.860 10.054 1.00 0.00 H new ATOM 0 HH11 ARG A 14 13.216 -2.914 8.577 1.00 0.00 H new ATOM 0 HH12 ARG A 14 14.390 -2.470 9.821 1.00 0.00 H new ATOM 0 HH21 ARG A 14 12.268 -0.368 11.542 1.00 0.00 H new ATOM 0 HH22 ARG A 14 13.876 -1.091 11.426 1.00 0.00 H new ATOM 217 N ILE A 15 10.507 -3.078 2.973 1.00 0.00 N ATOM 218 CA ILE A 15 9.872 -3.410 1.719 1.00 0.00 C ATOM 219 C ILE A 15 10.001 -4.895 1.348 1.00 0.00 C ATOM 220 O ILE A 15 9.076 -5.509 0.822 1.00 0.00 O ATOM 221 CB ILE A 15 10.573 -2.464 0.733 1.00 0.00 C ATOM 222 CG1 ILE A 15 9.870 -2.483 -0.597 1.00 0.00 C ATOM 223 CG2 ILE A 15 12.078 -2.740 0.512 1.00 0.00 C ATOM 224 CD1 ILE A 15 8.427 -1.977 -0.496 1.00 0.00 C ATOM 0 H ILE A 15 11.230 -2.366 2.863 1.00 0.00 H new ATOM 0 HA ILE A 15 8.790 -3.277 1.736 1.00 0.00 H new ATOM 0 HB ILE A 15 10.512 -1.482 1.201 1.00 0.00 H new ATOM 0 HG12 ILE A 15 10.421 -1.865 -1.306 1.00 0.00 H new ATOM 0 HG13 ILE A 15 9.870 -3.499 -0.992 1.00 0.00 H new ATOM 0 HG21 ILE A 15 12.479 -2.019 -0.200 1.00 0.00 H new ATOM 0 HG22 ILE A 15 12.608 -2.647 1.460 1.00 0.00 H new ATOM 0 HG23 ILE A 15 12.209 -3.749 0.120 1.00 0.00 H new ATOM 0 HD11 ILE A 15 7.960 -2.009 -1.481 1.00 0.00 H new ATOM 0 HD12 ILE A 15 7.867 -2.610 0.192 1.00 0.00 H new ATOM 0 HD13 ILE A 15 8.426 -0.951 -0.127 1.00 0.00 H new ATOM 236 N SER A 16 11.150 -5.467 1.694 1.00 0.00 N ATOM 237 CA SER A 16 11.533 -6.879 1.568 1.00 0.00 C ATOM 238 C SER A 16 10.920 -7.809 2.627 1.00 0.00 C ATOM 239 O SER A 16 11.069 -9.025 2.519 1.00 0.00 O ATOM 240 CB SER A 16 13.067 -6.988 1.618 1.00 0.00 C ATOM 241 OG SER A 16 13.576 -6.365 2.793 1.00 0.00 O ATOM 0 H SER A 16 11.903 -4.914 2.104 1.00 0.00 H new ATOM 0 HA SER A 16 11.134 -7.217 0.612 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.363 -8.037 1.599 1.00 0.00 H new ATOM 0 HB3 SER A 16 13.499 -6.518 0.734 1.00 0.00 H new ATOM 0 HG SER A 16 14.553 -6.445 2.809 1.00 0.00 H new ATOM 247 N ASP A 17 10.204 -7.280 3.628 1.00 0.00 N ATOM 248 CA ASP A 17 9.554 -8.065 4.691 1.00 0.00 C ATOM 249 C ASP A 17 8.215 -8.700 4.235 1.00 0.00 C ATOM 250 O ASP A 17 7.207 -8.699 4.947 1.00 0.00 O ATOM 251 CB ASP A 17 9.396 -7.199 5.954 1.00 0.00 C ATOM 252 CG ASP A 17 9.074 -8.021 7.214 1.00 0.00 C ATOM 253 OD1 ASP A 17 9.644 -9.122 7.391 1.00 0.00 O ATOM 254 OD2 ASP A 17 8.269 -7.558 8.058 1.00 0.00 O ATOM 0 H ASP A 17 10.056 -6.275 3.725 1.00 0.00 H new ATOM 0 HA ASP A 17 10.200 -8.909 4.932 1.00 0.00 H new ATOM 0 HB2 ASP A 17 10.315 -6.637 6.119 1.00 0.00 H new ATOM 0 HB3 ASP A 17 8.602 -6.470 5.790 1.00 0.00 H new ATOM 259 N THR A 18 8.180 -9.185 2.990 1.00 0.00 N ATOM 260 CA THR A 18 6.984 -9.670 2.280 1.00 0.00 C ATOM 261 C THR A 18 6.317 -10.885 2.926 1.00 0.00 C ATOM 262 O THR A 18 5.100 -11.056 2.837 1.00 0.00 O ATOM 263 CB THR A 18 7.325 -10.028 0.820 1.00 0.00 C ATOM 264 OG1 THR A 18 8.354 -10.994 0.729 1.00 0.00 O ATOM 265 CG2 THR A 18 7.803 -8.796 0.051 1.00 0.00 C ATOM 0 H THR A 18 9.023 -9.255 2.420 1.00 0.00 H new ATOM 0 HA THR A 18 6.276 -8.843 2.331 1.00 0.00 H new ATOM 0 HB THR A 18 6.405 -10.427 0.393 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.323 -11.423 -0.151 1.00 0.00 H new ATOM 0 HG21 THR A 18 8.037 -9.076 -0.976 1.00 0.00 H new ATOM 0 HG22 THR A 18 7.018 -8.040 0.051 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.695 -8.392 0.529 1.00 0.00 H new ATOM 273 N GLY A 19 7.113 -11.752 3.558 1.00 0.00 N ATOM 274 CA GLY A 19 6.672 -13.040 4.091 1.00 0.00 C ATOM 275 C GLY A 19 6.153 -14.000 3.015 1.00 0.00 C ATOM 276 O GLY A 19 6.374 -13.823 1.812 1.00 0.00 O ATOM 0 H GLY A 19 8.104 -11.572 3.716 1.00 0.00 H new ATOM 0 HA2 GLY A 19 7.503 -13.511 4.617 1.00 0.00 H new ATOM 0 HA3 GLY A 19 5.885 -12.870 4.826 1.00 0.00 H new ATOM 280 N SER A 20 5.418 -15.012 3.479 1.00 0.00 N ATOM 281 CA SER A 20 4.770 -16.055 2.667 1.00 0.00 C ATOM 282 C SER A 20 3.770 -15.531 1.627 1.00 0.00 C ATOM 283 O SER A 20 3.472 -16.227 0.652 1.00 0.00 O ATOM 284 CB SER A 20 4.057 -17.049 3.590 1.00 0.00 C ATOM 285 OG SER A 20 4.975 -17.673 4.476 1.00 0.00 O ATOM 0 H SER A 20 5.248 -15.137 4.477 1.00 0.00 H new ATOM 0 HA SER A 20 5.572 -16.531 2.102 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.289 -16.531 4.163 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.551 -17.807 2.992 1.00 0.00 H new ATOM 0 HG SER A 20 4.495 -18.301 5.055 1.00 0.00 H new ATOM 291 N ALA A 21 3.276 -14.299 1.803 1.00 0.00 N ATOM 292 CA ALA A 21 2.454 -13.580 0.822 1.00 0.00 C ATOM 293 C ALA A 21 3.166 -13.320 -0.524 1.00 0.00 C ATOM 294 O ALA A 21 2.498 -13.091 -1.535 1.00 0.00 O ATOM 295 CB ALA A 21 1.997 -12.261 1.457 1.00 0.00 C ATOM 0 H ALA A 21 3.441 -13.761 2.654 1.00 0.00 H new ATOM 0 HA ALA A 21 1.603 -14.214 0.574 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.383 -11.708 0.746 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.413 -12.472 2.353 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.869 -11.664 1.724 1.00 0.00 H new ATOM 301 N GLY A 22 4.509 -13.329 -0.546 1.00 0.00 N ATOM 302 CA GLY A 22 5.329 -13.196 -1.755 1.00 0.00 C ATOM 303 C GLY A 22 5.487 -11.766 -2.297 1.00 0.00 C ATOM 304 O GLY A 22 6.252 -11.553 -3.235 1.00 0.00 O ATOM 0 H GLY A 22 5.067 -13.432 0.302 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.320 -13.598 -1.546 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.893 -13.816 -2.538 1.00 0.00 H new ATOM 308 N LEU A 23 4.799 -10.776 -1.716 1.00 0.00 N ATOM 309 CA LEU A 23 4.875 -9.362 -2.110 1.00 0.00 C ATOM 310 C LEU A 23 4.564 -8.406 -0.948 1.00 0.00 C ATOM 311 O LEU A 23 4.090 -8.820 0.114 1.00 0.00 O ATOM 312 CB LEU A 23 3.965 -9.125 -3.340 1.00 0.00 C ATOM 313 CG LEU A 23 2.439 -9.236 -3.126 1.00 0.00 C ATOM 314 CD1 LEU A 23 1.826 -7.952 -2.553 1.00 0.00 C ATOM 315 CD2 LEU A 23 1.752 -9.503 -4.464 1.00 0.00 C ATOM 0 H LEU A 23 4.158 -10.939 -0.940 1.00 0.00 H new ATOM 0 HA LEU A 23 5.903 -9.134 -2.391 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.179 -8.130 -3.731 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.250 -9.839 -4.113 1.00 0.00 H new ATOM 0 HG LEU A 23 2.286 -10.049 -2.416 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.752 -8.088 -2.424 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.283 -7.730 -1.588 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.007 -7.125 -3.239 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.676 -9.581 -4.311 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.962 -8.683 -5.151 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.127 -10.435 -4.886 1.00 0.00 H new ATOM 327 N MET A 24 4.797 -7.117 -1.186 1.00 0.00 N ATOM 328 CA MET A 24 4.384 -5.995 -0.337 1.00 0.00 C ATOM 329 C MET A 24 3.528 -5.032 -1.179 1.00 0.00 C ATOM 330 O MET A 24 3.777 -4.846 -2.372 1.00 0.00 O ATOM 331 CB MET A 24 5.647 -5.326 0.238 1.00 0.00 C ATOM 332 CG MET A 24 5.387 -4.087 1.107 1.00 0.00 C ATOM 333 SD MET A 24 4.594 -4.368 2.706 1.00 0.00 S ATOM 334 CE MET A 24 5.997 -5.055 3.629 1.00 0.00 C ATOM 0 H MET A 24 5.303 -6.809 -2.016 1.00 0.00 H new ATOM 0 HA MET A 24 3.774 -6.324 0.504 1.00 0.00 H new ATOM 0 HB2 MET A 24 6.190 -6.061 0.832 1.00 0.00 H new ATOM 0 HB3 MET A 24 6.297 -5.041 -0.589 1.00 0.00 H new ATOM 0 HG2 MET A 24 6.340 -3.589 1.283 1.00 0.00 H new ATOM 0 HG3 MET A 24 4.767 -3.396 0.537 1.00 0.00 H new ATOM 0 HE1 MET A 24 5.692 -5.979 4.120 1.00 0.00 H new ATOM 0 HE2 MET A 24 6.817 -5.263 2.942 1.00 0.00 H new ATOM 0 HE3 MET A 24 6.326 -4.336 4.380 1.00 0.00 H new ATOM 344 N LEU A 25 2.526 -4.416 -0.548 1.00 0.00 N ATOM 345 CA LEU A 25 1.567 -3.491 -1.153 1.00 0.00 C ATOM 346 C LEU A 25 1.712 -2.150 -0.422 1.00 0.00 C ATOM 347 O LEU A 25 1.595 -2.098 0.803 1.00 0.00 O ATOM 348 CB LEU A 25 0.173 -4.147 -1.026 1.00 0.00 C ATOM 349 CG LEU A 25 -1.059 -3.469 -1.659 1.00 0.00 C ATOM 350 CD1 LEU A 25 -1.391 -2.096 -1.095 1.00 0.00 C ATOM 351 CD2 LEU A 25 -0.967 -3.316 -3.174 1.00 0.00 C ATOM 0 H LEU A 25 2.354 -4.556 0.448 1.00 0.00 H new ATOM 0 HA LEU A 25 1.732 -3.292 -2.212 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.246 -5.148 -1.451 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.033 -4.266 0.038 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.854 -4.167 -1.396 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.271 -1.698 -1.600 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.593 -2.180 -0.027 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.547 -1.424 -1.253 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.870 -2.831 -3.546 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.098 -2.708 -3.426 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.867 -4.299 -3.634 1.00 0.00 H new ATOM 363 N VAL A 26 2.015 -1.064 -1.144 1.00 0.00 N ATOM 364 CA VAL A 26 2.389 0.223 -0.526 1.00 0.00 C ATOM 365 C VAL A 26 1.698 1.403 -1.210 1.00 0.00 C ATOM 366 O VAL A 26 1.672 1.491 -2.435 1.00 0.00 O ATOM 367 CB VAL A 26 3.914 0.441 -0.528 1.00 0.00 C ATOM 368 CG1 VAL A 26 4.348 1.700 0.236 1.00 0.00 C ATOM 369 CG2 VAL A 26 4.711 -0.775 -0.039 1.00 0.00 C ATOM 0 H VAL A 26 2.009 -1.047 -2.164 1.00 0.00 H new ATOM 0 HA VAL A 26 2.050 0.174 0.509 1.00 0.00 H new ATOM 0 HB VAL A 26 4.156 0.588 -1.581 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.433 1.794 0.196 1.00 0.00 H new ATOM 0 HG12 VAL A 26 3.890 2.578 -0.220 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.029 1.623 1.275 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.777 -0.547 -0.068 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.419 -1.014 0.984 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.505 -1.629 -0.684 1.00 0.00 H new ATOM 379 N GLU A 27 1.164 2.334 -0.420 1.00 0.00 N ATOM 380 CA GLU A 27 0.503 3.558 -0.882 1.00 0.00 C ATOM 381 C GLU A 27 1.468 4.751 -0.922 1.00 0.00 C ATOM 382 O GLU A 27 2.246 4.972 0.006 1.00 0.00 O ATOM 383 CB GLU A 27 -0.674 3.852 0.066 1.00 0.00 C ATOM 384 CG GLU A 27 -1.487 5.086 -0.336 1.00 0.00 C ATOM 385 CD GLU A 27 -2.652 5.303 0.653 1.00 0.00 C ATOM 386 OE1 GLU A 27 -3.736 4.701 0.459 1.00 0.00 O ATOM 387 OE2 GLU A 27 -2.489 6.095 1.616 1.00 0.00 O ATOM 0 H GLU A 27 1.180 2.255 0.597 1.00 0.00 H new ATOM 0 HA GLU A 27 0.148 3.408 -1.902 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.334 2.985 0.093 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.290 3.993 1.076 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.843 5.966 -0.350 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.877 4.960 -1.346 1.00 0.00 H new ATOM 394 N PHE A 28 1.368 5.571 -1.970 1.00 0.00 N ATOM 395 CA PHE A 28 2.109 6.823 -2.126 1.00 0.00 C ATOM 396 C PHE A 28 1.125 7.985 -2.301 1.00 0.00 C ATOM 397 O PHE A 28 0.271 7.968 -3.193 1.00 0.00 O ATOM 398 CB PHE A 28 3.100 6.706 -3.290 1.00 0.00 C ATOM 399 CG PHE A 28 4.195 5.668 -3.096 1.00 0.00 C ATOM 400 CD1 PHE A 28 3.918 4.303 -3.293 1.00 0.00 C ATOM 401 CD2 PHE A 28 5.493 6.065 -2.711 1.00 0.00 C ATOM 402 CE1 PHE A 28 4.910 3.333 -3.054 1.00 0.00 C ATOM 403 CE2 PHE A 28 6.492 5.097 -2.492 1.00 0.00 C ATOM 404 CZ PHE A 28 6.201 3.730 -2.651 1.00 0.00 C ATOM 0 H PHE A 28 0.750 5.376 -2.757 1.00 0.00 H new ATOM 0 HA PHE A 28 2.696 7.026 -1.230 1.00 0.00 H new ATOM 0 HB2 PHE A 28 2.546 6.464 -4.197 1.00 0.00 H new ATOM 0 HB3 PHE A 28 3.565 7.678 -3.451 1.00 0.00 H new ATOM 0 HD1 PHE A 28 2.938 3.997 -3.630 1.00 0.00 H new ATOM 0 HD2 PHE A 28 5.721 7.113 -2.584 1.00 0.00 H new ATOM 0 HE1 PHE A 28 4.682 2.285 -3.179 1.00 0.00 H new ATOM 0 HE2 PHE A 28 7.485 5.405 -2.201 1.00 0.00 H new ATOM 0 HZ PHE A 28 6.963 2.988 -2.465 1.00 0.00 H new ATOM 414 N PHE A 29 1.206 8.968 -1.398 1.00 0.00 N ATOM 415 CA PHE A 29 0.249 10.078 -1.258 1.00 0.00 C ATOM 416 C PHE A 29 0.903 11.294 -0.570 1.00 0.00 C ATOM 417 O PHE A 29 2.057 11.219 -0.146 1.00 0.00 O ATOM 418 CB PHE A 29 -0.972 9.551 -0.462 1.00 0.00 C ATOM 419 CG PHE A 29 -2.354 10.139 -0.723 1.00 0.00 C ATOM 420 CD1 PHE A 29 -2.595 11.195 -1.632 1.00 0.00 C ATOM 421 CD2 PHE A 29 -3.450 9.546 -0.069 1.00 0.00 C ATOM 422 CE1 PHE A 29 -3.904 11.650 -1.863 1.00 0.00 C ATOM 423 CE2 PHE A 29 -4.763 9.993 -0.312 1.00 0.00 C ATOM 424 CZ PHE A 29 -4.987 11.060 -1.194 1.00 0.00 C ATOM 0 H PHE A 29 1.966 9.017 -0.719 1.00 0.00 H new ATOM 0 HA PHE A 29 -0.076 10.425 -2.239 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.036 8.477 -0.638 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.754 9.688 0.597 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.768 11.655 -2.152 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.282 8.738 0.628 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -4.077 12.458 -2.559 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -5.597 9.515 0.180 1.00 0.00 H new ATOM 0 HZ PHE A 29 -5.990 11.426 -1.358 1.00 0.00 H new ATOM 434 N ALA A 30 0.184 12.410 -0.423 1.00 0.00 N ATOM 435 CA ALA A 30 0.652 13.610 0.280 1.00 0.00 C ATOM 436 C ALA A 30 -0.423 14.078 1.293 1.00 0.00 C ATOM 437 O ALA A 30 -1.565 14.316 0.877 1.00 0.00 O ATOM 438 CB ALA A 30 0.960 14.692 -0.763 1.00 0.00 C ATOM 0 H ALA A 30 -0.760 12.508 -0.797 1.00 0.00 H new ATOM 0 HA ALA A 30 1.560 13.398 0.845 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.310 15.593 -0.260 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.733 14.333 -1.443 1.00 0.00 H new ATOM 0 HB3 ALA A 30 0.057 14.920 -1.329 1.00 0.00 H new ATOM 444 N PRO A 31 -0.095 14.236 2.596 1.00 0.00 N ATOM 445 CA PRO A 31 -1.048 14.605 3.655 1.00 0.00 C ATOM 446 C PRO A 31 -1.900 15.862 3.406 1.00 0.00 C ATOM 447 O PRO A 31 -2.976 16.000 3.998 1.00 0.00 O ATOM 448 CB PRO A 31 -0.204 14.797 4.918 1.00 0.00 C ATOM 449 CG PRO A 31 0.968 13.850 4.703 1.00 0.00 C ATOM 450 CD PRO A 31 1.201 13.934 3.200 1.00 0.00 C ATOM 0 HA PRO A 31 -1.790 13.809 3.720 1.00 0.00 H new ATOM 0 HB2 PRO A 31 0.128 15.830 5.027 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -0.764 14.546 5.818 1.00 0.00 H new ATOM 0 HG2 PRO A 31 1.848 14.161 5.266 1.00 0.00 H new ATOM 0 HG3 PRO A 31 0.730 12.834 5.019 1.00 0.00 H new ATOM 0 HD2 PRO A 31 1.930 14.709 2.963 1.00 0.00 H new ATOM 0 HD3 PRO A 31 1.599 12.995 2.816 1.00 0.00 H new ATOM 550 N ARG A 38 -9.826 10.545 4.725 1.00 0.00 N ATOM 551 CA ARG A 38 -10.916 9.569 4.506 1.00 0.00 C ATOM 552 C ARG A 38 -10.419 8.222 3.970 1.00 0.00 C ATOM 553 O ARG A 38 -11.019 7.194 4.274 1.00 0.00 O ATOM 554 CB ARG A 38 -11.955 10.163 3.539 1.00 0.00 C ATOM 555 CG ARG A 38 -12.574 11.497 3.988 1.00 0.00 C ATOM 556 CD ARG A 38 -13.260 11.453 5.365 1.00 0.00 C ATOM 557 NE ARG A 38 -14.384 10.496 5.407 1.00 0.00 N ATOM 558 CZ ARG A 38 -15.114 10.174 6.463 1.00 0.00 C ATOM 559 NH1 ARG A 38 -14.894 10.691 7.638 1.00 0.00 N ATOM 560 NH2 ARG A 38 -16.089 9.315 6.352 1.00 0.00 N ATOM 0 HA ARG A 38 -11.368 9.374 5.478 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -11.483 10.308 2.567 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -12.756 9.437 3.400 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -11.792 12.256 4.010 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -13.304 11.813 3.243 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -12.527 11.181 6.124 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -13.625 12.449 5.617 1.00 0.00 H new ATOM 0 HE ARG A 38 -14.623 10.034 4.529 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -14.140 11.366 7.765 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -15.476 10.421 8.431 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -16.292 8.888 5.448 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -16.649 9.070 7.169 1.00 0.00 H new ATOM 574 N LEU A 39 -9.310 8.212 3.220 1.00 0.00 N ATOM 575 CA LEU A 39 -8.674 6.986 2.729 1.00 0.00 C ATOM 576 C LEU A 39 -7.782 6.306 3.782 1.00 0.00 C ATOM 577 O LEU A 39 -7.721 5.079 3.814 1.00 0.00 O ATOM 578 CB LEU A 39 -7.864 7.316 1.461 1.00 0.00 C ATOM 579 CG LEU A 39 -7.243 6.075 0.784 1.00 0.00 C ATOM 580 CD1 LEU A 39 -8.292 5.072 0.310 1.00 0.00 C ATOM 581 CD2 LEU A 39 -6.445 6.522 -0.448 1.00 0.00 C ATOM 0 H LEU A 39 -8.826 9.063 2.935 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.463 6.271 2.498 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.513 7.822 0.747 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.068 8.015 1.720 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.614 5.590 1.530 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -7.797 4.221 -0.158 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.877 4.728 1.162 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.952 5.550 -0.414 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.003 5.651 -0.931 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.110 7.027 -1.148 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.654 7.206 -0.141 1.00 0.00 H new ATOM 593 N ALA A 40 -7.134 7.058 4.678 1.00 0.00 N ATOM 594 CA ALA A 40 -6.315 6.488 5.752 1.00 0.00 C ATOM 595 C ALA A 40 -7.029 5.391 6.581 1.00 0.00 C ATOM 596 O ALA A 40 -6.482 4.290 6.680 1.00 0.00 O ATOM 597 CB ALA A 40 -5.764 7.624 6.623 1.00 0.00 C ATOM 0 H ALA A 40 -7.163 8.078 4.679 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.484 5.958 5.286 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.154 7.206 7.424 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.154 8.288 6.011 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.592 8.186 7.054 1.00 0.00 H new ATOM 603 N PRO A 41 -8.258 5.602 7.109 1.00 0.00 N ATOM 604 CA PRO A 41 -8.972 4.569 7.874 1.00 0.00 C ATOM 605 C PRO A 41 -9.463 3.405 7.006 1.00 0.00 C ATOM 606 O PRO A 41 -9.682 2.313 7.532 1.00 0.00 O ATOM 607 CB PRO A 41 -10.135 5.292 8.566 1.00 0.00 C ATOM 608 CG PRO A 41 -10.428 6.455 7.625 1.00 0.00 C ATOM 609 CD PRO A 41 -9.043 6.831 7.114 1.00 0.00 C ATOM 0 HA PRO A 41 -8.301 4.100 8.594 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -11.001 4.641 8.684 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -9.859 5.639 9.562 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -11.093 6.161 6.813 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -10.907 7.285 8.144 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -9.101 7.259 6.113 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -8.583 7.583 7.756 1.00 0.00 H new ATOM 617 N GLU A 42 -9.603 3.579 5.684 1.00 0.00 N ATOM 618 CA GLU A 42 -9.917 2.467 4.774 1.00 0.00 C ATOM 619 C GLU A 42 -8.691 1.562 4.572 1.00 0.00 C ATOM 620 O GLU A 42 -8.797 0.335 4.607 1.00 0.00 O ATOM 621 CB GLU A 42 -10.388 3.009 3.411 1.00 0.00 C ATOM 622 CG GLU A 42 -11.804 3.601 3.427 1.00 0.00 C ATOM 623 CD GLU A 42 -12.869 2.504 3.580 1.00 0.00 C ATOM 624 OE1 GLU A 42 -12.999 1.674 2.647 1.00 0.00 O ATOM 625 OE2 GLU A 42 -13.566 2.453 4.622 1.00 0.00 O ATOM 0 H GLU A 42 -9.503 4.482 5.220 1.00 0.00 H new ATOM 0 HA GLU A 42 -10.716 1.879 5.224 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -9.689 3.775 3.076 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.351 2.202 2.679 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -11.893 4.313 4.247 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.979 4.154 2.504 1.00 0.00 H new ATOM 632 N TYR A 43 -7.508 2.147 4.408 1.00 0.00 N ATOM 633 CA TYR A 43 -6.281 1.385 4.214 1.00 0.00 C ATOM 634 C TYR A 43 -5.807 0.704 5.519 1.00 0.00 C ATOM 635 O TYR A 43 -5.295 -0.416 5.489 1.00 0.00 O ATOM 636 CB TYR A 43 -5.242 2.340 3.611 1.00 0.00 C ATOM 637 CG TYR A 43 -4.030 1.678 2.985 1.00 0.00 C ATOM 638 CD1 TYR A 43 -4.170 0.833 1.864 1.00 0.00 C ATOM 639 CD2 TYR A 43 -2.751 1.996 3.471 1.00 0.00 C ATOM 640 CE1 TYR A 43 -3.024 0.308 1.228 1.00 0.00 C ATOM 641 CE2 TYR A 43 -1.612 1.469 2.853 1.00 0.00 C ATOM 642 CZ TYR A 43 -1.744 0.639 1.727 1.00 0.00 C ATOM 643 OH TYR A 43 -0.625 0.171 1.122 1.00 0.00 O ATOM 0 H TYR A 43 -7.374 3.158 4.406 1.00 0.00 H new ATOM 0 HA TYR A 43 -6.448 0.556 3.527 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -5.733 2.950 2.853 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -4.900 3.018 4.393 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -5.154 0.588 1.492 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -2.647 2.649 4.325 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -3.125 -0.340 0.369 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -0.631 1.700 3.241 1.00 0.00 H new ATOM 0 HH TYR A 43 0.166 0.499 1.598 1.00 0.00 H new ATOM 653 N GLU A 44 -6.061 1.317 6.687 1.00 0.00 N ATOM 654 CA GLU A 44 -5.874 0.702 8.020 1.00 0.00 C ATOM 655 C GLU A 44 -6.789 -0.501 8.232 1.00 0.00 C ATOM 656 O GLU A 44 -6.365 -1.546 8.737 1.00 0.00 O ATOM 657 CB GLU A 44 -6.195 1.719 9.120 1.00 0.00 C ATOM 658 CG GLU A 44 -5.203 2.878 9.160 1.00 0.00 C ATOM 659 CD GLU A 44 -4.108 2.656 10.217 1.00 0.00 C ATOM 660 OE1 GLU A 44 -3.176 1.853 9.976 1.00 0.00 O ATOM 661 OE2 GLU A 44 -4.182 3.271 11.307 1.00 0.00 O ATOM 0 H GLU A 44 -6.410 2.274 6.736 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.834 0.378 8.069 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -7.200 2.112 8.964 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -6.197 1.214 10.086 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.743 2.997 8.179 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.735 3.804 9.377 1.00 0.00 H new ATOM 668 N ALA A 45 -8.049 -0.359 7.817 1.00 0.00 N ATOM 669 CA ALA A 45 -9.025 -1.445 7.843 1.00 0.00 C ATOM 670 C ALA A 45 -8.562 -2.623 6.967 1.00 0.00 C ATOM 671 O ALA A 45 -8.538 -3.757 7.444 1.00 0.00 O ATOM 672 CB ALA A 45 -10.409 -0.917 7.449 1.00 0.00 C ATOM 0 H ALA A 45 -8.421 0.518 7.452 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.105 -1.833 8.858 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -11.130 -1.734 7.471 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -10.716 -0.142 8.152 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.366 -0.498 6.444 1.00 0.00 H new ATOM 678 N ALA A 46 -8.077 -2.362 5.745 1.00 0.00 N ATOM 679 CA ALA A 46 -7.468 -3.395 4.900 1.00 0.00 C ATOM 680 C ALA A 46 -6.251 -4.064 5.560 1.00 0.00 C ATOM 681 O ALA A 46 -6.152 -5.290 5.573 1.00 0.00 O ATOM 682 CB ALA A 46 -7.072 -2.771 3.563 1.00 0.00 C ATOM 0 H ALA A 46 -8.096 -1.436 5.318 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.207 -4.182 4.749 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.618 -3.531 2.927 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.958 -2.369 3.072 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.357 -1.967 3.735 1.00 0.00 H new ATOM 688 N ALA A 47 -5.352 -3.284 6.165 1.00 0.00 N ATOM 689 CA ALA A 47 -4.173 -3.796 6.866 1.00 0.00 C ATOM 690 C ALA A 47 -4.546 -4.667 8.079 1.00 0.00 C ATOM 691 O ALA A 47 -3.858 -5.634 8.386 1.00 0.00 O ATOM 692 CB ALA A 47 -3.279 -2.625 7.264 1.00 0.00 C ATOM 0 H ALA A 47 -5.424 -2.267 6.182 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.624 -4.451 6.189 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.399 -3.000 7.787 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.967 -2.085 6.370 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.831 -1.952 7.920 1.00 0.00 H new ATOM 698 N THR A 48 -5.664 -4.349 8.735 1.00 0.00 N ATOM 699 CA THR A 48 -6.261 -5.151 9.813 1.00 0.00 C ATOM 700 C THR A 48 -6.867 -6.455 9.279 1.00 0.00 C ATOM 701 O THR A 48 -6.614 -7.521 9.846 1.00 0.00 O ATOM 702 CB THR A 48 -7.345 -4.349 10.558 1.00 0.00 C ATOM 703 OG1 THR A 48 -6.849 -3.091 10.968 1.00 0.00 O ATOM 704 CG2 THR A 48 -7.829 -5.070 11.815 1.00 0.00 C ATOM 0 H THR A 48 -6.196 -3.504 8.528 1.00 0.00 H new ATOM 0 HA THR A 48 -5.458 -5.401 10.506 1.00 0.00 H new ATOM 0 HB THR A 48 -8.170 -4.235 9.855 1.00 0.00 H new ATOM 0 HG1 THR A 48 -6.613 -2.560 10.179 1.00 0.00 H new ATOM 0 HG21 THR A 48 -8.592 -4.468 12.308 1.00 0.00 H new ATOM 0 HG22 THR A 48 -8.250 -6.037 11.540 1.00 0.00 H new ATOM 0 HG23 THR A 48 -6.990 -5.220 12.494 1.00 0.00 H new ATOM 712 N ARG A 49 -7.627 -6.404 8.168 1.00 0.00 N ATOM 713 CA ARG A 49 -8.270 -7.585 7.550 1.00 0.00 C ATOM 714 C ARG A 49 -7.284 -8.552 6.886 1.00 0.00 C ATOM 715 O ARG A 49 -7.571 -9.744 6.774 1.00 0.00 O ATOM 716 CB ARG A 49 -9.330 -7.147 6.516 1.00 0.00 C ATOM 717 CG ARG A 49 -10.578 -6.455 7.104 1.00 0.00 C ATOM 718 CD ARG A 49 -11.232 -7.170 8.299 1.00 0.00 C ATOM 719 NE ARG A 49 -11.607 -8.564 7.984 1.00 0.00 N ATOM 720 CZ ARG A 49 -12.038 -9.462 8.849 1.00 0.00 C ATOM 721 NH1 ARG A 49 -12.200 -9.185 10.114 1.00 0.00 N ATOM 722 NH2 ARG A 49 -12.317 -10.672 8.456 1.00 0.00 N ATOM 0 H ARG A 49 -7.815 -5.535 7.668 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.740 -8.125 8.372 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -8.860 -6.469 5.804 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -9.652 -8.025 5.956 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -10.301 -5.447 7.414 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -11.321 -6.353 6.313 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -10.543 -7.164 9.144 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -12.120 -6.618 8.607 1.00 0.00 H new ATOM 0 HE ARG A 49 -11.525 -8.858 7.011 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -11.991 -8.249 10.462 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -12.535 -9.904 10.755 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -12.203 -10.929 7.476 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -12.650 -11.363 9.129 1.00 0.00 H new ATOM 736 N LEU A 50 -6.124 -8.053 6.465 1.00 0.00 N ATOM 737 CA LEU A 50 -5.104 -8.779 5.699 1.00 0.00 C ATOM 738 C LEU A 50 -3.800 -9.013 6.491 1.00 0.00 C ATOM 739 O LEU A 50 -2.801 -9.437 5.912 1.00 0.00 O ATOM 740 CB LEU A 50 -4.833 -8.021 4.377 1.00 0.00 C ATOM 741 CG LEU A 50 -6.059 -7.825 3.461 1.00 0.00 C ATOM 742 CD1 LEU A 50 -5.711 -6.866 2.321 1.00 0.00 C ATOM 743 CD2 LEU A 50 -6.548 -9.140 2.852 1.00 0.00 C ATOM 0 H LEU A 50 -5.854 -7.088 6.655 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.492 -9.774 5.483 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.421 -7.041 4.618 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.067 -8.560 3.820 1.00 0.00 H new ATOM 0 HG LEU A 50 -6.855 -7.417 4.084 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.582 -6.733 1.679 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.414 -5.902 2.734 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.889 -7.279 1.736 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.412 -8.947 2.216 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.750 -9.584 2.256 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.830 -9.827 3.649 1.00 0.00 H new ATOM 755 N LYS A 51 -3.789 -8.762 7.809 1.00 0.00 N ATOM 756 CA LYS A 51 -2.586 -8.751 8.668 1.00 0.00 C ATOM 757 C LYS A 51 -1.726 -10.027 8.623 1.00 0.00 C ATOM 758 O LYS A 51 -0.496 -9.950 8.698 1.00 0.00 O ATOM 759 CB LYS A 51 -3.022 -8.406 10.108 1.00 0.00 C ATOM 760 CG LYS A 51 -1.835 -8.177 11.061 1.00 0.00 C ATOM 761 CD LYS A 51 -2.259 -7.688 12.449 1.00 0.00 C ATOM 762 CE LYS A 51 -2.788 -6.248 12.392 1.00 0.00 C ATOM 763 NZ LYS A 51 -3.134 -5.743 13.746 1.00 0.00 N ATOM 0 H LYS A 51 -4.643 -8.554 8.327 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.918 -7.989 8.267 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.642 -7.510 10.088 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.642 -9.214 10.497 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -1.277 -9.108 11.166 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.157 -7.447 10.618 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.030 -8.346 12.850 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.410 -7.740 13.131 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.036 -5.600 11.942 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.669 -6.207 11.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.424 -4.746 13.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.916 -6.306 14.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.305 -5.823 14.369 1.00 0.00 H new ATOM 777 N GLY A 52 -2.369 -11.178 8.441 1.00 0.00 N ATOM 778 CA GLY A 52 -1.729 -12.493 8.281 1.00 0.00 C ATOM 779 C GLY A 52 -1.865 -13.065 6.864 1.00 0.00 C ATOM 780 O GLY A 52 -1.800 -14.286 6.684 1.00 0.00 O ATOM 0 H GLY A 52 -3.387 -11.229 8.398 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.672 -12.408 8.531 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.169 -13.193 8.992 1.00 0.00 H new ATOM 784 N ILE A 53 -2.101 -12.199 5.865 1.00 0.00 N ATOM 785 CA ILE A 53 -2.473 -12.582 4.486 1.00 0.00 C ATOM 786 C ILE A 53 -1.629 -11.844 3.433 1.00 0.00 C ATOM 787 O ILE A 53 -1.101 -12.488 2.528 1.00 0.00 O ATOM 788 CB ILE A 53 -3.989 -12.347 4.254 1.00 0.00 C ATOM 789 CG1 ILE A 53 -4.861 -13.006 5.352 1.00 0.00 C ATOM 790 CG2 ILE A 53 -4.400 -12.863 2.866 1.00 0.00 C ATOM 791 CD1 ILE A 53 -6.377 -12.846 5.177 1.00 0.00 C ATOM 0 H ILE A 53 -2.038 -11.189 5.993 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.262 -13.645 4.369 1.00 0.00 H new ATOM 0 HB ILE A 53 -4.162 -11.272 4.307 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.627 -14.070 5.387 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -4.578 -12.586 6.317 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.466 -12.692 2.715 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.836 -12.333 2.099 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.190 -13.930 2.798 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -6.893 -13.344 5.998 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -6.633 -11.787 5.176 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -6.683 -13.294 4.232 1.00 0.00 H new ATOM 803 N VAL A 54 -1.461 -10.522 3.551 1.00 0.00 N ATOM 804 CA VAL A 54 -0.558 -9.692 2.732 1.00 0.00 C ATOM 805 C VAL A 54 -0.230 -8.359 3.449 1.00 0.00 C ATOM 806 O VAL A 54 -1.158 -7.655 3.866 1.00 0.00 O ATOM 807 CB VAL A 54 -1.126 -9.466 1.308 1.00 0.00 C ATOM 808 CG1 VAL A 54 -2.507 -8.804 1.253 1.00 0.00 C ATOM 809 CG2 VAL A 54 -0.162 -8.668 0.427 1.00 0.00 C ATOM 0 H VAL A 54 -1.969 -9.975 4.246 1.00 0.00 H new ATOM 0 HA VAL A 54 0.380 -10.234 2.611 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.245 -10.479 0.923 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -2.815 -8.690 0.214 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.230 -9.427 1.780 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.460 -7.823 1.727 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.600 -8.533 -0.562 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.022 -7.693 0.879 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.780 -9.209 0.336 1.00 0.00 H new ATOM 819 N PRO A 55 1.056 -7.997 3.654 1.00 0.00 N ATOM 820 CA PRO A 55 1.433 -6.793 4.401 1.00 0.00 C ATOM 821 C PRO A 55 1.196 -5.502 3.594 1.00 0.00 C ATOM 822 O PRO A 55 1.305 -5.490 2.362 1.00 0.00 O ATOM 823 CB PRO A 55 2.911 -6.983 4.750 1.00 0.00 C ATOM 824 CG PRO A 55 3.444 -7.833 3.597 1.00 0.00 C ATOM 825 CD PRO A 55 2.252 -8.737 3.259 1.00 0.00 C ATOM 0 HA PRO A 55 0.818 -6.674 5.293 1.00 0.00 H new ATOM 0 HB2 PRO A 55 3.433 -6.029 4.819 1.00 0.00 H new ATOM 0 HB3 PRO A 55 3.035 -7.485 5.710 1.00 0.00 H new ATOM 0 HG2 PRO A 55 3.740 -7.220 2.746 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.319 -8.412 3.893 1.00 0.00 H new ATOM 0 HD2 PRO A 55 2.231 -8.972 2.195 1.00 0.00 H new ATOM 0 HD3 PRO A 55 2.318 -9.685 3.794 1.00 0.00 H new ATOM 833 N LEU A 56 0.929 -4.404 4.316 1.00 0.00 N ATOM 834 CA LEU A 56 0.569 -3.080 3.778 1.00 0.00 C ATOM 835 C LEU A 56 1.475 -1.965 4.344 1.00 0.00 C ATOM 836 O LEU A 56 1.760 -1.969 5.546 1.00 0.00 O ATOM 837 CB LEU A 56 -0.908 -2.784 4.134 1.00 0.00 C ATOM 838 CG LEU A 56 -1.888 -2.928 2.959 1.00 0.00 C ATOM 839 CD1 LEU A 56 -2.038 -4.367 2.456 1.00 0.00 C ATOM 840 CD2 LEU A 56 -3.267 -2.445 3.389 1.00 0.00 C ATOM 0 H LEU A 56 0.959 -4.413 5.336 1.00 0.00 H new ATOM 0 HA LEU A 56 0.708 -3.097 2.697 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.218 -3.457 4.933 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.978 -1.770 4.526 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.475 -2.330 2.147 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.745 -4.391 1.627 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.070 -4.737 2.118 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.406 -4.999 3.265 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -3.964 -2.546 2.557 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -3.616 -3.044 4.230 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.209 -1.399 3.688 1.00 0.00 H new ATOM 852 N ALA A 57 1.844 -0.963 3.533 1.00 0.00 N ATOM 853 CA ALA A 57 2.634 0.186 3.984 1.00 0.00 C ATOM 854 C ALA A 57 2.202 1.492 3.299 1.00 0.00 C ATOM 855 O ALA A 57 1.482 1.465 2.305 1.00 0.00 O ATOM 856 CB ALA A 57 4.118 -0.092 3.718 1.00 0.00 C ATOM 0 H ALA A 57 1.601 -0.929 2.543 1.00 0.00 H new ATOM 0 HA ALA A 57 2.464 0.319 5.052 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.713 0.759 4.051 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.424 -0.985 4.263 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.273 -0.248 2.650 1.00 0.00 H new ATOM 862 N LYS A 58 2.698 2.632 3.783 1.00 0.00 N ATOM 863 CA LYS A 58 2.545 3.940 3.133 1.00 0.00 C ATOM 864 C LYS A 58 3.832 4.770 3.179 1.00 0.00 C ATOM 865 O LYS A 58 4.643 4.617 4.094 1.00 0.00 O ATOM 866 CB LYS A 58 1.339 4.695 3.728 1.00 0.00 C ATOM 867 CG LYS A 58 1.564 5.178 5.171 1.00 0.00 C ATOM 868 CD LYS A 58 0.293 5.827 5.736 1.00 0.00 C ATOM 869 CE LYS A 58 0.540 6.441 7.123 1.00 0.00 C ATOM 870 NZ LYS A 58 1.247 7.749 7.054 1.00 0.00 N ATOM 0 H LYS A 58 3.228 2.676 4.654 1.00 0.00 H new ATOM 0 HA LYS A 58 2.345 3.767 2.076 1.00 0.00 H new ATOM 0 HB2 LYS A 58 1.113 5.555 3.097 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.466 4.043 3.704 1.00 0.00 H new ATOM 0 HG2 LYS A 58 1.857 4.337 5.799 1.00 0.00 H new ATOM 0 HG3 LYS A 58 2.385 5.895 5.195 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.056 6.601 5.052 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.498 5.080 5.804 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -0.415 6.575 7.632 1.00 0.00 H new ATOM 0 HE3 LYS A 58 1.127 5.747 7.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.699 7.948 7.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 1.973 7.712 6.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.564 8.502 6.834 1.00 0.00 H new ATOM 884 N VAL A 59 3.993 5.666 2.203 1.00 0.00 N ATOM 885 CA VAL A 59 5.129 6.591 2.039 1.00 0.00 C ATOM 886 C VAL A 59 4.604 7.965 1.602 1.00 0.00 C ATOM 887 O VAL A 59 3.799 8.071 0.674 1.00 0.00 O ATOM 888 CB VAL A 59 6.131 6.056 0.991 1.00 0.00 C ATOM 889 CG1 VAL A 59 7.290 7.042 0.741 1.00 0.00 C ATOM 890 CG2 VAL A 59 6.767 4.721 1.408 1.00 0.00 C ATOM 0 H VAL A 59 3.300 5.776 1.463 1.00 0.00 H new ATOM 0 HA VAL A 59 5.649 6.679 2.993 1.00 0.00 H new ATOM 0 HB VAL A 59 5.537 5.922 0.087 1.00 0.00 H new ATOM 0 HG11 VAL A 59 7.969 6.624 -0.002 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.890 7.988 0.376 1.00 0.00 H new ATOM 0 HG13 VAL A 59 7.831 7.211 1.672 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.462 4.392 0.635 1.00 0.00 H new ATOM 0 HG22 VAL A 59 7.304 4.852 2.347 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.987 3.971 1.537 1.00 0.00 H new ATOM 900 N ASP A 60 5.058 9.025 2.268 1.00 0.00 N ATOM 901 CA ASP A 60 4.641 10.400 1.979 1.00 0.00 C ATOM 902 C ASP A 60 5.478 11.007 0.834 1.00 0.00 C ATOM 903 O ASP A 60 6.675 11.250 0.980 1.00 0.00 O ATOM 904 CB ASP A 60 4.707 11.250 3.255 1.00 0.00 C ATOM 905 CG ASP A 60 3.789 10.704 4.363 1.00 0.00 C ATOM 906 OD1 ASP A 60 2.549 10.707 4.187 1.00 0.00 O ATOM 907 OD2 ASP A 60 4.310 10.269 5.419 1.00 0.00 O ATOM 0 H ASP A 60 5.732 8.955 3.031 1.00 0.00 H new ATOM 0 HA ASP A 60 3.606 10.389 1.638 1.00 0.00 H new ATOM 0 HB2 ASP A 60 5.734 11.279 3.618 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.422 12.276 3.022 1.00 0.00 H new ATOM 912 N CYS A 61 4.842 11.280 -0.310 1.00 0.00 N ATOM 913 CA CYS A 61 5.468 11.869 -1.498 1.00 0.00 C ATOM 914 C CYS A 61 6.078 13.252 -1.218 1.00 0.00 C ATOM 915 O CYS A 61 7.200 13.528 -1.640 1.00 0.00 O ATOM 916 CB CYS A 61 4.407 11.985 -2.598 1.00 0.00 C ATOM 917 SG CYS A 61 4.971 12.858 -4.083 1.00 0.00 S ATOM 0 H CYS A 61 3.848 11.092 -0.438 1.00 0.00 H new ATOM 0 HA CYS A 61 6.286 11.219 -1.809 1.00 0.00 H new ATOM 0 HB2 CYS A 61 4.081 10.984 -2.880 1.00 0.00 H new ATOM 0 HB3 CYS A 61 3.536 12.502 -2.195 1.00 0.00 H new ATOM 922 N THR A 62 5.368 14.105 -0.468 1.00 0.00 N ATOM 923 CA THR A 62 5.849 15.451 -0.091 1.00 0.00 C ATOM 924 C THR A 62 7.092 15.414 0.808 1.00 0.00 C ATOM 925 O THR A 62 7.868 16.369 0.826 1.00 0.00 O ATOM 926 CB THR A 62 4.724 16.267 0.570 1.00 0.00 C ATOM 927 OG1 THR A 62 5.045 17.640 0.605 1.00 0.00 O ATOM 928 CG2 THR A 62 4.374 15.821 1.990 1.00 0.00 C ATOM 0 H THR A 62 4.441 13.886 -0.102 1.00 0.00 H new ATOM 0 HA THR A 62 6.149 15.943 -1.016 1.00 0.00 H new ATOM 0 HB THR A 62 3.851 16.086 -0.057 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.314 18.136 1.028 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.573 16.448 2.381 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.047 14.781 1.975 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.253 15.915 2.628 1.00 0.00 H new ATOM 936 N ALA A 63 7.282 14.315 1.547 1.00 0.00 N ATOM 937 CA ALA A 63 8.465 14.075 2.377 1.00 0.00 C ATOM 938 C ALA A 63 9.646 13.466 1.582 1.00 0.00 C ATOM 939 O ALA A 63 10.798 13.639 1.989 1.00 0.00 O ATOM 940 CB ALA A 63 8.052 13.171 3.541 1.00 0.00 C ATOM 0 H ALA A 63 6.604 13.554 1.585 1.00 0.00 H new ATOM 0 HA ALA A 63 8.832 15.031 2.750 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.917 12.977 4.175 1.00 0.00 H new ATOM 0 HB2 ALA A 63 7.276 13.664 4.127 1.00 0.00 H new ATOM 0 HB3 ALA A 63 7.669 12.228 3.151 1.00 0.00 H new ATOM 946 N ASN A 64 9.381 12.791 0.451 1.00 0.00 N ATOM 947 CA ASN A 64 10.386 12.150 -0.404 1.00 0.00 C ATOM 948 C ASN A 64 10.093 12.310 -1.910 1.00 0.00 C ATOM 949 O ASN A 64 9.649 11.390 -2.605 1.00 0.00 O ATOM 950 CB ASN A 64 10.533 10.670 -0.062 1.00 0.00 C ATOM 951 CG ASN A 64 10.976 10.384 1.362 1.00 0.00 C ATOM 952 OD1 ASN A 64 12.144 10.483 1.709 1.00 0.00 O ATOM 953 ND2 ASN A 64 10.059 9.991 2.221 1.00 0.00 N ATOM 0 H ASN A 64 8.431 12.675 0.098 1.00 0.00 H new ATOM 0 HA ASN A 64 11.324 12.667 -0.200 1.00 0.00 H new ATOM 0 HB2 ASN A 64 9.578 10.175 -0.236 1.00 0.00 H new ATOM 0 HB3 ASN A 64 11.253 10.223 -0.748 1.00 0.00 H new ATOM 0 HD21 ASN A 64 10.322 9.768 3.181 1.00 0.00 H new ATOM 0 HD22 ASN A 64 9.086 9.910 1.927 1.00 0.00 H new ATOM 960 N THR A 65 10.384 13.496 -2.423 1.00 0.00 N ATOM 961 CA THR A 65 10.093 13.893 -3.822 1.00 0.00 C ATOM 962 C THR A 65 10.914 13.089 -4.834 1.00 0.00 C ATOM 963 O THR A 65 10.420 12.725 -5.906 1.00 0.00 O ATOM 964 CB THR A 65 10.366 15.395 -4.036 1.00 0.00 C ATOM 965 OG1 THR A 65 9.814 16.163 -2.981 1.00 0.00 O ATOM 966 CG2 THR A 65 9.756 15.922 -5.335 1.00 0.00 C ATOM 0 H THR A 65 10.837 14.233 -1.882 1.00 0.00 H new ATOM 0 HA THR A 65 9.037 13.682 -3.989 1.00 0.00 H new ATOM 0 HB THR A 65 11.451 15.493 -4.074 1.00 0.00 H new ATOM 0 HG1 THR A 65 10.000 17.113 -3.136 1.00 0.00 H new ATOM 0 HG21 THR A 65 9.978 16.984 -5.436 1.00 0.00 H new ATOM 0 HG22 THR A 65 10.179 15.381 -6.181 1.00 0.00 H new ATOM 0 HG23 THR A 65 8.676 15.777 -5.315 1.00 0.00 H new ATOM 974 N ASN A 66 12.162 12.764 -4.480 1.00 0.00 N ATOM 975 CA ASN A 66 13.093 11.985 -5.301 1.00 0.00 C ATOM 976 C ASN A 66 12.621 10.537 -5.495 1.00 0.00 C ATOM 977 O ASN A 66 12.636 10.030 -6.614 1.00 0.00 O ATOM 978 CB ASN A 66 14.494 12.047 -4.667 1.00 0.00 C ATOM 979 CG ASN A 66 15.107 13.439 -4.729 1.00 0.00 C ATOM 980 OD1 ASN A 66 14.975 14.177 -5.699 1.00 0.00 O ATOM 981 ND2 ASN A 66 15.802 13.853 -3.693 1.00 0.00 N ATOM 0 H ASN A 66 12.564 13.045 -3.586 1.00 0.00 H new ATOM 0 HA ASN A 66 13.131 12.423 -6.298 1.00 0.00 H new ATOM 0 HB2 ASN A 66 14.432 11.728 -3.627 1.00 0.00 H new ATOM 0 HB3 ASN A 66 15.151 11.342 -5.177 1.00 0.00 H new ATOM 0 HD21 ASN A 66 16.226 14.781 -3.701 1.00 0.00 H new ATOM 0 HD22 ASN A 66 15.918 13.246 -2.881 1.00 0.00 H new ATOM 988 N THR A 67 12.118 9.898 -4.434 1.00 0.00 N ATOM 989 CA THR A 67 11.455 8.586 -4.516 1.00 0.00 C ATOM 990 C THR A 67 10.136 8.689 -5.284 1.00 0.00 C ATOM 991 O THR A 67 9.866 7.883 -6.167 1.00 0.00 O ATOM 992 CB THR A 67 11.172 8.027 -3.104 1.00 0.00 C ATOM 993 OG1 THR A 67 12.314 8.134 -2.275 1.00 0.00 O ATOM 994 CG2 THR A 67 10.757 6.557 -3.111 1.00 0.00 C ATOM 0 H THR A 67 12.158 10.276 -3.487 1.00 0.00 H new ATOM 0 HA THR A 67 12.128 7.911 -5.045 1.00 0.00 H new ATOM 0 HB THR A 67 10.348 8.629 -2.722 1.00 0.00 H new ATOM 0 HG1 THR A 67 12.108 7.775 -1.387 1.00 0.00 H new ATOM 0 HG21 THR A 67 10.573 6.226 -2.089 1.00 0.00 H new ATOM 0 HG22 THR A 67 9.848 6.438 -3.700 1.00 0.00 H new ATOM 0 HG23 THR A 67 11.554 5.956 -3.549 1.00 0.00 H new ATOM 1002 N CYS A 68 9.325 9.707 -4.987 1.00 0.00 N ATOM 1003 CA CYS A 68 7.966 9.852 -5.509 1.00 0.00 C ATOM 1004 C CYS A 68 7.931 9.960 -7.048 1.00 0.00 C ATOM 1005 O CYS A 68 7.189 9.229 -7.710 1.00 0.00 O ATOM 1006 CB CYS A 68 7.333 11.076 -4.835 1.00 0.00 C ATOM 1007 SG CYS A 68 5.619 11.395 -5.322 1.00 0.00 S ATOM 0 H CYS A 68 9.601 10.467 -4.365 1.00 0.00 H new ATOM 0 HA CYS A 68 7.391 8.956 -5.275 1.00 0.00 H new ATOM 0 HB2 CYS A 68 7.372 10.941 -3.754 1.00 0.00 H new ATOM 0 HB3 CYS A 68 7.934 11.955 -5.068 1.00 0.00 H new ATOM 1012 N ASN A 69 8.761 10.834 -7.631 1.00 0.00 N ATOM 1013 CA ASN A 69 8.777 11.025 -9.087 1.00 0.00 C ATOM 1014 C ASN A 69 9.397 9.832 -9.830 1.00 0.00 C ATOM 1015 O ASN A 69 8.903 9.416 -10.880 1.00 0.00 O ATOM 1016 CB ASN A 69 9.470 12.347 -9.427 1.00 0.00 C ATOM 1017 CG ASN A 69 10.984 12.297 -9.564 1.00 0.00 C ATOM 1018 OD1 ASN A 69 11.525 11.999 -10.618 1.00 0.00 O ATOM 1019 ND2 ASN A 69 11.708 12.612 -8.518 1.00 0.00 N ATOM 0 H ASN A 69 9.426 11.416 -7.121 1.00 0.00 H new ATOM 0 HA ASN A 69 7.746 11.078 -9.436 1.00 0.00 H new ATOM 0 HB2 ASN A 69 9.054 12.721 -10.362 1.00 0.00 H new ATOM 0 HB3 ASN A 69 9.220 13.073 -8.654 1.00 0.00 H new ATOM 0 HD21 ASN A 69 12.726 12.609 -8.583 1.00 0.00 H new ATOM 0 HD22 ASN A 69 11.254 12.860 -7.639 1.00 0.00 H new ATOM 1026 N LYS A 70 10.441 9.243 -9.236 1.00 0.00 N ATOM 1027 CA LYS A 70 11.101 8.021 -9.736 1.00 0.00 C ATOM 1028 C LYS A 70 10.157 6.804 -9.755 1.00 0.00 C ATOM 1029 O LYS A 70 10.307 5.916 -10.595 1.00 0.00 O ATOM 1030 CB LYS A 70 12.363 7.768 -8.889 1.00 0.00 C ATOM 1031 CG LYS A 70 13.227 6.603 -9.405 1.00 0.00 C ATOM 1032 CD LYS A 70 14.533 6.505 -8.600 1.00 0.00 C ATOM 1033 CE LYS A 70 15.393 5.363 -9.152 1.00 0.00 C ATOM 1034 NZ LYS A 70 16.677 5.232 -8.409 1.00 0.00 N ATOM 0 H LYS A 70 10.862 9.604 -8.380 1.00 0.00 H new ATOM 0 HA LYS A 70 11.387 8.171 -10.777 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.966 8.676 -8.870 1.00 0.00 H new ATOM 0 HB3 LYS A 70 12.065 7.561 -7.861 1.00 0.00 H new ATOM 0 HG2 LYS A 70 12.673 5.668 -9.325 1.00 0.00 H new ATOM 0 HG3 LYS A 70 13.454 6.750 -10.461 1.00 0.00 H new ATOM 0 HD2 LYS A 70 15.080 7.446 -8.659 1.00 0.00 H new ATOM 0 HD3 LYS A 70 14.311 6.330 -7.547 1.00 0.00 H new ATOM 0 HE2 LYS A 70 14.839 4.427 -9.089 1.00 0.00 H new ATOM 0 HE3 LYS A 70 15.600 5.540 -10.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 17.232 4.450 -8.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 17.217 6.117 -8.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 16.480 5.038 -7.407 1.00 0.00 H new ATOM 1048 N TYR A 71 9.165 6.785 -8.860 1.00 0.00 N ATOM 1049 CA TYR A 71 8.193 5.682 -8.703 1.00 0.00 C ATOM 1050 C TYR A 71 6.944 5.865 -9.578 1.00 0.00 C ATOM 1051 O TYR A 71 6.123 4.957 -9.703 1.00 0.00 O ATOM 1052 CB TYR A 71 7.826 5.522 -7.214 1.00 0.00 C ATOM 1053 CG TYR A 71 8.806 4.694 -6.391 1.00 0.00 C ATOM 1054 CD1 TYR A 71 10.200 4.813 -6.583 1.00 0.00 C ATOM 1055 CD2 TYR A 71 8.318 3.779 -5.437 1.00 0.00 C ATOM 1056 CE1 TYR A 71 11.102 4.030 -5.836 1.00 0.00 C ATOM 1057 CE2 TYR A 71 9.212 2.987 -4.684 1.00 0.00 C ATOM 1058 CZ TYR A 71 10.607 3.112 -4.879 1.00 0.00 C ATOM 1059 OH TYR A 71 11.468 2.346 -4.156 1.00 0.00 O ATOM 0 H TYR A 71 9.006 7.551 -8.206 1.00 0.00 H new ATOM 0 HA TYR A 71 8.667 4.765 -9.052 1.00 0.00 H new ATOM 0 HB2 TYR A 71 7.747 6.513 -6.767 1.00 0.00 H new ATOM 0 HB3 TYR A 71 6.840 5.062 -7.146 1.00 0.00 H new ATOM 0 HD1 TYR A 71 10.580 5.513 -7.312 1.00 0.00 H new ATOM 0 HD2 TYR A 71 7.254 3.683 -5.281 1.00 0.00 H new ATOM 0 HE1 TYR A 71 12.166 4.130 -5.993 1.00 0.00 H new ATOM 0 HE2 TYR A 71 8.830 2.285 -3.958 1.00 0.00 H new ATOM 0 HH TYR A 71 11.087 2.173 -3.270 1.00 0.00 H new ATOM 1069 N GLY A 72 6.817 7.036 -10.209 1.00 0.00 N ATOM 1070 CA GLY A 72 5.757 7.350 -11.178 1.00 0.00 C ATOM 1071 C GLY A 72 4.471 7.880 -10.537 1.00 0.00 C ATOM 1072 O GLY A 72 3.399 7.814 -11.143 1.00 0.00 O ATOM 0 H GLY A 72 7.462 7.812 -10.058 1.00 0.00 H new ATOM 0 HA2 GLY A 72 6.131 8.090 -11.885 1.00 0.00 H new ATOM 0 HA3 GLY A 72 5.523 6.452 -11.750 1.00 0.00 H new ATOM 1076 N VAL A 73 4.559 8.388 -9.304 1.00 0.00 N ATOM 1077 CA VAL A 73 3.448 8.921 -8.489 1.00 0.00 C ATOM 1078 C VAL A 73 3.122 10.368 -8.932 1.00 0.00 C ATOM 1079 O VAL A 73 3.139 11.331 -8.164 1.00 0.00 O ATOM 1080 CB VAL A 73 3.804 8.796 -6.990 1.00 0.00 C ATOM 1081 CG1 VAL A 73 2.647 9.155 -6.040 1.00 0.00 C ATOM 1082 CG2 VAL A 73 4.259 7.374 -6.617 1.00 0.00 C ATOM 0 H VAL A 73 5.453 8.444 -8.816 1.00 0.00 H new ATOM 0 HA VAL A 73 2.539 8.340 -8.644 1.00 0.00 H new ATOM 0 HB VAL A 73 4.613 9.515 -6.860 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.976 9.042 -5.007 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.341 10.187 -6.213 1.00 0.00 H new ATOM 0 HG13 VAL A 73 1.803 8.490 -6.227 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.498 7.336 -5.554 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.458 6.667 -6.835 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.143 7.111 -7.198 1.00 0.00 H new ATOM 1092 N SER A 74 2.873 10.541 -10.231 1.00 0.00 N ATOM 1093 CA SER A 74 2.549 11.820 -10.888 1.00 0.00 C ATOM 1094 C SER A 74 1.131 12.353 -10.595 1.00 0.00 C ATOM 1095 O SER A 74 0.776 13.444 -11.049 1.00 0.00 O ATOM 1096 CB SER A 74 2.727 11.670 -12.407 1.00 0.00 C ATOM 1097 OG SER A 74 4.026 11.189 -12.723 1.00 0.00 O ATOM 0 H SER A 74 2.891 9.761 -10.888 1.00 0.00 H new ATOM 0 HA SER A 74 3.239 12.553 -10.471 1.00 0.00 H new ATOM 0 HB2 SER A 74 1.976 10.984 -12.799 1.00 0.00 H new ATOM 0 HB3 SER A 74 2.564 12.632 -12.893 1.00 0.00 H new ATOM 0 HG SER A 74 4.114 11.100 -13.695 1.00 0.00 H new ATOM 1103 N GLY A 75 0.306 11.598 -9.857 1.00 0.00 N ATOM 1104 CA GLY A 75 -1.108 11.901 -9.603 1.00 0.00 C ATOM 1105 C GLY A 75 -1.715 11.034 -8.496 1.00 0.00 C ATOM 1106 O GLY A 75 -2.623 10.244 -8.754 1.00 0.00 O ATOM 0 H GLY A 75 0.613 10.735 -9.408 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.205 12.952 -9.329 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.676 11.757 -10.522 1.00 0.00 H new ATOM 1110 N TYR A 76 -1.174 11.137 -7.277 1.00 0.00 N ATOM 1111 CA TYR A 76 -1.620 10.381 -6.097 1.00 0.00 C ATOM 1112 C TYR A 76 -3.134 10.517 -5.749 1.00 0.00 C ATOM 1113 O TYR A 76 -3.762 11.520 -6.119 1.00 0.00 O ATOM 1114 CB TYR A 76 -0.728 10.725 -4.889 1.00 0.00 C ATOM 1115 CG TYR A 76 -0.317 12.175 -4.699 1.00 0.00 C ATOM 1116 CD1 TYR A 76 -1.278 13.176 -4.464 1.00 0.00 C ATOM 1117 CD2 TYR A 76 1.050 12.514 -4.711 1.00 0.00 C ATOM 1118 CE1 TYR A 76 -0.877 14.519 -4.304 1.00 0.00 C ATOM 1119 CE2 TYR A 76 1.455 13.847 -4.547 1.00 0.00 C ATOM 1120 CZ TYR A 76 0.493 14.860 -4.354 1.00 0.00 C ATOM 1121 OH TYR A 76 0.890 16.154 -4.215 1.00 0.00 O ATOM 0 H TYR A 76 -0.394 11.763 -7.077 1.00 0.00 H new ATOM 0 HA TYR A 76 -1.507 9.329 -6.358 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -1.249 10.404 -3.987 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.180 10.127 -4.963 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -2.324 12.915 -4.406 1.00 0.00 H new ATOM 0 HD2 TYR A 76 1.792 11.742 -4.848 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -1.618 15.288 -4.143 1.00 0.00 H new ATOM 0 HE2 TYR A 76 2.505 14.098 -4.569 1.00 0.00 H new ATOM 0 HH TYR A 76 1.867 16.205 -4.274 1.00 0.00 H new ATOM 1131 N PRO A 77 -3.737 9.549 -5.013 1.00 0.00 N ATOM 1132 CA PRO A 77 -3.117 8.348 -4.434 1.00 0.00 C ATOM 1133 C PRO A 77 -2.668 7.329 -5.491 1.00 0.00 C ATOM 1134 O PRO A 77 -3.338 7.115 -6.506 1.00 0.00 O ATOM 1135 CB PRO A 77 -4.180 7.739 -3.507 1.00 0.00 C ATOM 1136 CG PRO A 77 -5.496 8.182 -4.132 1.00 0.00 C ATOM 1137 CD PRO A 77 -5.156 9.567 -4.688 1.00 0.00 C ATOM 0 HA PRO A 77 -2.205 8.618 -3.902 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -4.101 6.653 -3.466 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -4.078 8.105 -2.485 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -5.821 7.499 -4.917 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -6.299 8.227 -3.396 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -5.753 9.786 -5.573 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -5.376 10.343 -3.955 1.00 0.00 H new ATOM 1145 N THR A 78 -1.532 6.675 -5.233 1.00 0.00 N ATOM 1146 CA THR A 78 -0.941 5.649 -6.108 1.00 0.00 C ATOM 1147 C THR A 78 -0.506 4.469 -5.245 1.00 0.00 C ATOM 1148 O THR A 78 0.443 4.579 -4.471 1.00 0.00 O ATOM 1149 CB THR A 78 0.249 6.206 -6.908 1.00 0.00 C ATOM 1150 OG1 THR A 78 -0.108 7.373 -7.620 1.00 0.00 O ATOM 1151 CG2 THR A 78 0.770 5.206 -7.943 1.00 0.00 C ATOM 0 H THR A 78 -0.982 6.846 -4.391 1.00 0.00 H new ATOM 0 HA THR A 78 -1.687 5.325 -6.834 1.00 0.00 H new ATOM 0 HB THR A 78 1.019 6.419 -6.167 1.00 0.00 H new ATOM 0 HG1 THR A 78 0.534 7.523 -8.345 1.00 0.00 H new ATOM 0 HG21 THR A 78 1.610 5.645 -8.482 1.00 0.00 H new ATOM 0 HG22 THR A 78 1.098 4.297 -7.438 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.026 4.963 -8.647 1.00 0.00 H new ATOM 1159 N LEU A 79 -1.222 3.346 -5.346 1.00 0.00 N ATOM 1160 CA LEU A 79 -0.861 2.105 -4.655 1.00 0.00 C ATOM 1161 C LEU A 79 -0.006 1.229 -5.596 1.00 0.00 C ATOM 1162 O LEU A 79 -0.318 1.095 -6.784 1.00 0.00 O ATOM 1163 CB LEU A 79 -2.120 1.376 -4.159 1.00 0.00 C ATOM 1164 CG LEU A 79 -2.845 2.004 -2.948 1.00 0.00 C ATOM 1165 CD1 LEU A 79 -3.638 3.278 -3.279 1.00 0.00 C ATOM 1166 CD2 LEU A 79 -3.856 1.000 -2.387 1.00 0.00 C ATOM 0 H LEU A 79 -2.069 3.271 -5.910 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.265 2.332 -3.771 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.827 1.314 -4.986 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.843 0.354 -3.899 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.056 2.264 -2.242 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.116 3.654 -2.375 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.961 4.036 -3.674 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.400 3.049 -4.024 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.370 1.440 -1.532 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.584 0.748 -3.158 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.335 0.096 -2.071 1.00 0.00 H new ATOM 1178 N LYS A 80 1.070 0.639 -5.066 1.00 0.00 N ATOM 1179 CA LYS A 80 2.117 -0.077 -5.816 1.00 0.00 C ATOM 1180 C LYS A 80 2.459 -1.425 -5.175 1.00 0.00 C ATOM 1181 O LYS A 80 2.282 -1.614 -3.974 1.00 0.00 O ATOM 1182 CB LYS A 80 3.378 0.800 -5.944 1.00 0.00 C ATOM 1183 CG LYS A 80 3.146 2.043 -6.819 1.00 0.00 C ATOM 1184 CD LYS A 80 4.411 2.908 -6.981 1.00 0.00 C ATOM 1185 CE LYS A 80 5.589 2.198 -7.670 1.00 0.00 C ATOM 1186 NZ LYS A 80 5.316 1.892 -9.095 1.00 0.00 N ATOM 0 H LYS A 80 1.246 0.645 -4.061 1.00 0.00 H new ATOM 0 HA LYS A 80 1.726 -0.283 -6.813 1.00 0.00 H new ATOM 0 HB2 LYS A 80 3.700 1.114 -4.951 1.00 0.00 H new ATOM 0 HB3 LYS A 80 4.187 0.207 -6.369 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.799 1.728 -7.803 1.00 0.00 H new ATOM 0 HG3 LYS A 80 2.353 2.647 -6.379 1.00 0.00 H new ATOM 0 HD2 LYS A 80 4.155 3.799 -7.555 1.00 0.00 H new ATOM 0 HD3 LYS A 80 4.733 3.245 -5.996 1.00 0.00 H new ATOM 0 HE2 LYS A 80 6.477 2.826 -7.601 1.00 0.00 H new ATOM 0 HE3 LYS A 80 5.811 1.272 -7.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 6.202 1.620 -9.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 4.636 1.108 -9.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 4.919 2.733 -9.561 1.00 0.00 H new ATOM 1200 N ILE A 81 2.951 -2.347 -6.006 1.00 0.00 N ATOM 1201 CA ILE A 81 3.204 -3.751 -5.665 1.00 0.00 C ATOM 1202 C ILE A 81 4.686 -4.059 -5.843 1.00 0.00 C ATOM 1203 O ILE A 81 5.292 -3.698 -6.859 1.00 0.00 O ATOM 1204 CB ILE A 81 2.333 -4.679 -6.546 1.00 0.00 C ATOM 1205 CG1 ILE A 81 0.843 -4.413 -6.245 1.00 0.00 C ATOM 1206 CG2 ILE A 81 2.652 -6.161 -6.290 1.00 0.00 C ATOM 1207 CD1 ILE A 81 -0.132 -5.163 -7.160 1.00 0.00 C ATOM 0 H ILE A 81 3.194 -2.129 -6.972 1.00 0.00 H new ATOM 0 HA ILE A 81 2.935 -3.927 -4.624 1.00 0.00 H new ATOM 0 HB ILE A 81 2.552 -4.463 -7.592 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.639 -4.691 -5.211 1.00 0.00 H new ATOM 0 HG13 ILE A 81 0.653 -3.343 -6.331 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.022 -6.784 -6.925 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.700 -6.352 -6.519 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.460 -6.399 -5.244 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -1.156 -4.918 -6.879 1.00 0.00 H new ATOM 0 HD12 ILE A 81 0.040 -4.868 -8.195 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.026 -6.237 -7.058 1.00 0.00 H new ATOM 1219 N PHE A 82 5.237 -4.783 -4.870 1.00 0.00 N ATOM 1220 CA PHE A 82 6.661 -5.108 -4.775 1.00 0.00 C ATOM 1221 C PHE A 82 6.868 -6.599 -4.450 1.00 0.00 C ATOM 1222 O PHE A 82 6.967 -7.004 -3.288 1.00 0.00 O ATOM 1223 CB PHE A 82 7.346 -4.195 -3.747 1.00 0.00 C ATOM 1224 CG PHE A 82 7.191 -2.715 -4.038 1.00 0.00 C ATOM 1225 CD1 PHE A 82 6.074 -2.016 -3.555 1.00 0.00 C ATOM 1226 CD2 PHE A 82 8.145 -2.051 -4.830 1.00 0.00 C ATOM 1227 CE1 PHE A 82 5.912 -0.652 -3.858 1.00 0.00 C ATOM 1228 CE2 PHE A 82 7.993 -0.683 -5.123 1.00 0.00 C ATOM 1229 CZ PHE A 82 6.875 0.016 -4.638 1.00 0.00 C ATOM 0 H PHE A 82 4.689 -5.172 -4.102 1.00 0.00 H new ATOM 0 HA PHE A 82 7.127 -4.928 -5.744 1.00 0.00 H new ATOM 0 HB2 PHE A 82 6.936 -4.406 -2.759 1.00 0.00 H new ATOM 0 HB3 PHE A 82 8.408 -4.439 -3.710 1.00 0.00 H new ATOM 0 HD1 PHE A 82 5.338 -2.526 -2.950 1.00 0.00 H new ATOM 0 HD2 PHE A 82 8.997 -2.593 -5.214 1.00 0.00 H new ATOM 0 HE1 PHE A 82 5.048 -0.117 -3.492 1.00 0.00 H new ATOM 0 HE2 PHE A 82 8.734 -0.172 -5.719 1.00 0.00 H new ATOM 0 HZ PHE A 82 6.754 1.065 -4.863 1.00 0.00 H new ATOM 1239 N ARG A 83 6.891 -7.427 -5.498 1.00 0.00 N ATOM 1240 CA ARG A 83 7.142 -8.875 -5.416 1.00 0.00 C ATOM 1241 C ARG A 83 8.523 -9.148 -4.816 1.00 0.00 C ATOM 1242 O ARG A 83 9.530 -8.651 -5.313 1.00 0.00 O ATOM 1243 CB ARG A 83 6.981 -9.499 -6.808 1.00 0.00 C ATOM 1244 CG ARG A 83 7.092 -11.032 -6.758 1.00 0.00 C ATOM 1245 CD ARG A 83 6.807 -11.647 -8.134 1.00 0.00 C ATOM 1246 NE ARG A 83 6.923 -13.117 -8.088 1.00 0.00 N ATOM 1247 CZ ARG A 83 6.586 -13.963 -9.043 1.00 0.00 C ATOM 1248 NH1 ARG A 83 6.115 -13.561 -10.192 1.00 0.00 N ATOM 1249 NH2 ARG A 83 6.733 -15.245 -8.866 1.00 0.00 N ATOM 0 H ARG A 83 6.732 -7.104 -6.452 1.00 0.00 H new ATOM 0 HA ARG A 83 6.413 -9.339 -4.752 1.00 0.00 H new ATOM 0 HB2 ARG A 83 6.014 -9.217 -7.224 1.00 0.00 H new ATOM 0 HB3 ARG A 83 7.744 -9.100 -7.477 1.00 0.00 H new ATOM 0 HG2 ARG A 83 8.091 -11.318 -6.427 1.00 0.00 H new ATOM 0 HG3 ARG A 83 6.388 -11.428 -6.026 1.00 0.00 H new ATOM 0 HD2 ARG A 83 5.806 -11.367 -8.461 1.00 0.00 H new ATOM 0 HD3 ARG A 83 7.506 -11.246 -8.868 1.00 0.00 H new ATOM 0 HE ARG A 83 7.302 -13.520 -7.231 1.00 0.00 H new ATOM 0 HH11 ARG A 83 5.997 -12.564 -10.374 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.865 -14.243 -10.908 1.00 0.00 H new ATOM 0 HH21 ARG A 83 7.110 -15.599 -7.987 1.00 0.00 H new ATOM 0 HH22 ARG A 83 6.471 -15.895 -9.607 1.00 0.00 H new ATOM 1263 N ASP A 84 8.559 -9.919 -3.730 1.00 0.00 N ATOM 1264 CA ASP A 84 9.746 -10.145 -2.882 1.00 0.00 C ATOM 1265 C ASP A 84 10.518 -8.849 -2.487 1.00 0.00 C ATOM 1266 O ASP A 84 11.722 -8.879 -2.214 1.00 0.00 O ATOM 1267 CB ASP A 84 10.654 -11.208 -3.530 1.00 0.00 C ATOM 1268 CG ASP A 84 9.969 -12.577 -3.681 1.00 0.00 C ATOM 1269 OD1 ASP A 84 9.686 -13.226 -2.646 1.00 0.00 O ATOM 1270 OD2 ASP A 84 9.754 -13.031 -4.833 1.00 0.00 O ATOM 0 H ASP A 84 7.738 -10.425 -3.398 1.00 0.00 H new ATOM 0 HA ASP A 84 9.385 -10.524 -1.926 1.00 0.00 H new ATOM 0 HB2 ASP A 84 10.971 -10.857 -4.512 1.00 0.00 H new ATOM 0 HB3 ASP A 84 11.555 -11.324 -2.927 1.00 0.00 H new ATOM 1275 N GLY A 85 9.824 -7.698 -2.460 1.00 0.00 N ATOM 1276 CA GLY A 85 10.399 -6.385 -2.142 1.00 0.00 C ATOM 1277 C GLY A 85 10.999 -5.610 -3.324 1.00 0.00 C ATOM 1278 O GLY A 85 11.768 -4.672 -3.102 1.00 0.00 O ATOM 0 H GLY A 85 8.825 -7.657 -2.664 1.00 0.00 H new ATOM 0 HA2 GLY A 85 9.622 -5.771 -1.687 1.00 0.00 H new ATOM 0 HA3 GLY A 85 11.177 -6.523 -1.391 1.00 0.00 H new ATOM 1282 N GLU A 86 10.659 -5.965 -4.566 1.00 0.00 N ATOM 1283 CA GLU A 86 11.118 -5.308 -5.799 1.00 0.00 C ATOM 1284 C GLU A 86 9.925 -5.069 -6.743 1.00 0.00 C ATOM 1285 O GLU A 86 9.027 -5.902 -6.854 1.00 0.00 O ATOM 1286 CB GLU A 86 12.192 -6.159 -6.503 1.00 0.00 C ATOM 1287 CG GLU A 86 13.490 -6.298 -5.698 1.00 0.00 C ATOM 1288 CD GLU A 86 14.559 -7.050 -6.511 1.00 0.00 C ATOM 1289 OE1 GLU A 86 15.304 -6.402 -7.289 1.00 0.00 O ATOM 1290 OE2 GLU A 86 14.680 -8.290 -6.372 1.00 0.00 O ATOM 0 H GLU A 86 10.032 -6.748 -4.750 1.00 0.00 H new ATOM 0 HA GLU A 86 11.561 -4.348 -5.536 1.00 0.00 H new ATOM 0 HB2 GLU A 86 11.787 -7.152 -6.698 1.00 0.00 H new ATOM 0 HB3 GLU A 86 12.421 -5.713 -7.471 1.00 0.00 H new ATOM 0 HG2 GLU A 86 13.862 -5.310 -5.426 1.00 0.00 H new ATOM 0 HG3 GLU A 86 13.291 -6.831 -4.768 1.00 0.00 H new ATOM 1297 N GLU A 87 9.892 -3.909 -7.410 1.00 0.00 N ATOM 1298 CA GLU A 87 8.740 -3.421 -8.184 1.00 0.00 C ATOM 1299 C GLU A 87 8.176 -4.451 -9.183 1.00 0.00 C ATOM 1300 O GLU A 87 8.868 -4.890 -10.110 1.00 0.00 O ATOM 1301 CB GLU A 87 9.134 -2.115 -8.897 1.00 0.00 C ATOM 1302 CG GLU A 87 7.954 -1.498 -9.663 1.00 0.00 C ATOM 1303 CD GLU A 87 8.338 -0.183 -10.366 1.00 0.00 C ATOM 1304 OE1 GLU A 87 9.268 -0.178 -11.214 1.00 0.00 O ATOM 1305 OE2 GLU A 87 7.676 0.853 -10.107 1.00 0.00 O ATOM 0 H GLU A 87 10.684 -3.267 -7.428 1.00 0.00 H new ATOM 0 HA GLU A 87 7.929 -3.239 -7.479 1.00 0.00 H new ATOM 0 HB2 GLU A 87 9.504 -1.399 -8.163 1.00 0.00 H new ATOM 0 HB3 GLU A 87 9.952 -2.313 -9.590 1.00 0.00 H new ATOM 0 HG2 GLU A 87 7.592 -2.211 -10.404 1.00 0.00 H new ATOM 0 HG3 GLU A 87 7.132 -1.311 -8.971 1.00 0.00 H new ATOM 1312 N ALA A 88 6.884 -4.775 -9.024 1.00 0.00 N ATOM 1313 CA ALA A 88 6.103 -5.559 -9.981 1.00 0.00 C ATOM 1314 C ALA A 88 5.250 -4.629 -10.870 1.00 0.00 C ATOM 1315 O ALA A 88 5.065 -4.911 -12.059 1.00 0.00 O ATOM 1316 CB ALA A 88 5.236 -6.556 -9.207 1.00 0.00 C ATOM 0 H ALA A 88 6.345 -4.491 -8.206 1.00 0.00 H new ATOM 0 HA ALA A 88 6.768 -6.113 -10.644 1.00 0.00 H new ATOM 0 HB1 ALA A 88 4.648 -7.148 -9.908 1.00 0.00 H new ATOM 0 HB2 ALA A 88 5.876 -7.217 -8.622 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.567 -6.014 -8.539 1.00 0.00 H new ATOM 1322 N GLY A 89 4.780 -3.501 -10.319 1.00 0.00 N ATOM 1323 CA GLY A 89 4.150 -2.416 -11.082 1.00 0.00 C ATOM 1324 C GLY A 89 3.247 -1.525 -10.233 1.00 0.00 C ATOM 1325 O GLY A 89 3.698 -0.550 -9.627 1.00 0.00 O ATOM 0 H GLY A 89 4.828 -3.315 -9.317 1.00 0.00 H new ATOM 0 HA2 GLY A 89 4.927 -1.803 -11.538 1.00 0.00 H new ATOM 0 HA3 GLY A 89 3.564 -2.845 -11.895 1.00 0.00 H new ATOM 1329 N ALA A 90 1.956 -1.875 -10.202 1.00 0.00 N ATOM 1330 CA ALA A 90 0.884 -1.056 -9.632 1.00 0.00 C ATOM 1331 C ALA A 90 -0.384 -1.862 -9.261 1.00 0.00 C ATOM 1332 O ALA A 90 -0.681 -2.903 -9.852 1.00 0.00 O ATOM 1333 CB ALA A 90 0.538 0.036 -10.653 1.00 0.00 C ATOM 0 H ALA A 90 1.621 -2.760 -10.583 1.00 0.00 H new ATOM 0 HA ALA A 90 1.244 -0.632 -8.694 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -0.260 0.665 -10.257 1.00 0.00 H new ATOM 0 HB2 ALA A 90 1.420 0.647 -10.845 1.00 0.00 H new ATOM 0 HB3 ALA A 90 0.207 -0.427 -11.583 1.00 0.00 H new ATOM 1339 N TYR A 91 -1.141 -1.343 -8.293 1.00 0.00 N ATOM 1340 CA TYR A 91 -2.494 -1.788 -7.925 1.00 0.00 C ATOM 1341 C TYR A 91 -3.522 -1.517 -9.051 1.00 0.00 C ATOM 1342 O TYR A 91 -3.266 -0.724 -9.964 1.00 0.00 O ATOM 1343 CB TYR A 91 -2.847 -1.042 -6.633 1.00 0.00 C ATOM 1344 CG TYR A 91 -4.239 -1.247 -6.061 1.00 0.00 C ATOM 1345 CD1 TYR A 91 -4.659 -2.519 -5.629 1.00 0.00 C ATOM 1346 CD2 TYR A 91 -5.086 -0.134 -5.915 1.00 0.00 C ATOM 1347 CE1 TYR A 91 -5.943 -2.678 -5.074 1.00 0.00 C ATOM 1348 CE2 TYR A 91 -6.345 -0.283 -5.311 1.00 0.00 C ATOM 1349 CZ TYR A 91 -6.789 -1.557 -4.916 1.00 0.00 C ATOM 1350 OH TYR A 91 -8.036 -1.710 -4.403 1.00 0.00 O ATOM 0 H TYR A 91 -0.817 -0.567 -7.716 1.00 0.00 H new ATOM 0 HA TYR A 91 -2.523 -2.867 -7.774 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -2.124 -1.331 -5.870 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -2.711 0.024 -6.813 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -3.999 -3.369 -5.723 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -4.768 0.836 -6.268 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -6.282 -3.657 -4.769 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -6.972 0.581 -5.150 1.00 0.00 H new ATOM 0 HH TYR A 91 -8.397 -0.834 -4.154 1.00 0.00 H new ATOM 1360 N ASP A 92 -4.694 -2.165 -8.995 1.00 0.00 N ATOM 1361 CA ASP A 92 -5.684 -2.180 -10.088 1.00 0.00 C ATOM 1362 C ASP A 92 -7.166 -2.063 -9.657 1.00 0.00 C ATOM 1363 O ASP A 92 -8.056 -2.332 -10.470 1.00 0.00 O ATOM 1364 CB ASP A 92 -5.452 -3.440 -10.954 1.00 0.00 C ATOM 1365 CG ASP A 92 -6.091 -4.726 -10.387 1.00 0.00 C ATOM 1366 OD1 ASP A 92 -5.992 -4.982 -9.164 1.00 0.00 O ATOM 1367 OD2 ASP A 92 -6.673 -5.507 -11.182 1.00 0.00 O ATOM 0 H ASP A 92 -4.988 -2.702 -8.179 1.00 0.00 H new ATOM 0 HA ASP A 92 -5.514 -1.269 -10.662 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -5.851 -3.259 -11.952 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -4.379 -3.599 -11.064 1.00 0.00 H new ATOM 1372 N GLY A 93 -7.443 -1.650 -8.415 1.00 0.00 N ATOM 1373 CA GLY A 93 -8.796 -1.639 -7.830 1.00 0.00 C ATOM 1374 C GLY A 93 -9.237 -0.300 -7.196 1.00 0.00 C ATOM 1375 O GLY A 93 -8.522 0.708 -7.274 1.00 0.00 O ATOM 0 H GLY A 93 -6.726 -1.308 -7.776 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -9.511 -1.905 -8.608 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -8.850 -2.417 -7.068 1.00 0.00 H new ATOM 1379 N PRO A 94 -10.440 -0.266 -6.590 1.00 0.00 N ATOM 1380 CA PRO A 94 -10.969 0.891 -5.861 1.00 0.00 C ATOM 1381 C PRO A 94 -10.060 1.377 -4.720 1.00 0.00 C ATOM 1382 O PRO A 94 -9.376 0.583 -4.071 1.00 0.00 O ATOM 1383 CB PRO A 94 -12.324 0.432 -5.296 1.00 0.00 C ATOM 1384 CG PRO A 94 -12.749 -0.701 -6.226 1.00 0.00 C ATOM 1385 CD PRO A 94 -11.418 -1.348 -6.596 1.00 0.00 C ATOM 0 HA PRO A 94 -11.047 1.743 -6.537 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -12.231 0.089 -4.266 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -13.052 1.243 -5.297 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -13.417 -1.404 -5.728 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -13.276 -0.328 -7.104 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -11.148 -2.125 -5.881 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -11.472 -1.822 -7.576 1.00 0.00 H new ATOM 1393 N ARG A 95 -10.108 2.681 -4.422 1.00 0.00 N ATOM 1394 CA ARG A 95 -9.446 3.294 -3.250 1.00 0.00 C ATOM 1395 C ARG A 95 -10.332 3.127 -2.001 1.00 0.00 C ATOM 1396 O ARG A 95 -10.880 4.092 -1.464 1.00 0.00 O ATOM 1397 CB ARG A 95 -9.062 4.758 -3.543 1.00 0.00 C ATOM 1398 CG ARG A 95 -7.767 4.929 -4.355 1.00 0.00 C ATOM 1399 CD ARG A 95 -7.791 4.380 -5.787 1.00 0.00 C ATOM 1400 NE ARG A 95 -8.814 5.054 -6.610 1.00 0.00 N ATOM 1401 CZ ARG A 95 -9.396 4.604 -7.709 1.00 0.00 C ATOM 1402 NH1 ARG A 95 -9.198 3.407 -8.183 1.00 0.00 N ATOM 1403 NH2 ARG A 95 -10.216 5.370 -8.367 1.00 0.00 N ATOM 0 H ARG A 95 -10.615 3.356 -4.994 1.00 0.00 H new ATOM 0 HA ARG A 95 -8.509 2.777 -3.042 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -9.880 5.233 -4.084 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -8.955 5.288 -2.597 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -7.527 5.991 -4.399 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -6.956 4.441 -3.814 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -6.810 4.512 -6.244 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -7.990 3.309 -5.763 1.00 0.00 H new ATOM 0 HE ARG A 95 -9.107 5.978 -6.293 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -8.568 2.766 -7.702 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -9.673 3.111 -9.036 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -10.409 6.315 -8.035 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -10.666 5.026 -9.215 1.00 0.00 H new ATOM 1417 N THR A 96 -10.519 1.873 -1.579 1.00 0.00 N ATOM 1418 CA THR A 96 -11.315 1.445 -0.414 1.00 0.00 C ATOM 1419 C THR A 96 -10.722 0.175 0.210 1.00 0.00 C ATOM 1420 O THR A 96 -10.035 -0.589 -0.474 1.00 0.00 O ATOM 1421 CB THR A 96 -12.778 1.129 -0.791 1.00 0.00 C ATOM 1422 OG1 THR A 96 -12.844 0.063 -1.718 1.00 0.00 O ATOM 1423 CG2 THR A 96 -13.541 2.302 -1.399 1.00 0.00 C ATOM 0 H THR A 96 -10.097 1.082 -2.065 1.00 0.00 H new ATOM 0 HA THR A 96 -11.291 2.277 0.290 1.00 0.00 H new ATOM 0 HB THR A 96 -13.248 0.871 0.158 1.00 0.00 H new ATOM 0 HG1 THR A 96 -13.781 -0.120 -1.940 1.00 0.00 H new ATOM 0 HG21 THR A 96 -14.559 1.991 -1.634 1.00 0.00 H new ATOM 0 HG22 THR A 96 -13.568 3.127 -0.687 1.00 0.00 H new ATOM 0 HG23 THR A 96 -13.042 2.627 -2.312 1.00 0.00 H new ATOM 1431 N ALA A 97 -11.031 -0.103 1.480 1.00 0.00 N ATOM 1432 CA ALA A 97 -10.648 -1.342 2.166 1.00 0.00 C ATOM 1433 C ALA A 97 -11.071 -2.609 1.397 1.00 0.00 C ATOM 1434 O ALA A 97 -10.295 -3.549 1.218 1.00 0.00 O ATOM 1435 CB ALA A 97 -11.290 -1.344 3.559 1.00 0.00 C ATOM 0 H ALA A 97 -11.563 0.536 2.070 1.00 0.00 H new ATOM 0 HA ALA A 97 -9.560 -1.366 2.233 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -11.016 -2.259 4.085 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -10.937 -0.481 4.124 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -12.374 -1.293 3.460 1.00 0.00 H new ATOM 1441 N ASP A 98 -12.316 -2.613 0.903 1.00 0.00 N ATOM 1442 CA ASP A 98 -12.897 -3.707 0.117 1.00 0.00 C ATOM 1443 C ASP A 98 -12.175 -3.918 -1.221 1.00 0.00 C ATOM 1444 O ASP A 98 -12.064 -5.055 -1.681 1.00 0.00 O ATOM 1445 CB ASP A 98 -14.387 -3.426 -0.133 1.00 0.00 C ATOM 1446 CG ASP A 98 -15.225 -3.504 1.154 1.00 0.00 C ATOM 1447 OD1 ASP A 98 -15.445 -4.627 1.675 1.00 0.00 O ATOM 1448 OD2 ASP A 98 -15.683 -2.445 1.643 1.00 0.00 O ATOM 0 H ASP A 98 -12.962 -1.836 1.043 1.00 0.00 H new ATOM 0 HA ASP A 98 -12.777 -4.624 0.695 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -14.497 -2.436 -0.575 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -14.772 -4.143 -0.858 1.00 0.00 H new ATOM 1453 N GLY A 99 -11.641 -2.850 -1.829 1.00 0.00 N ATOM 1454 CA GLY A 99 -10.793 -2.925 -3.009 1.00 0.00 C ATOM 1455 C GLY A 99 -9.519 -3.740 -2.751 1.00 0.00 C ATOM 1456 O GLY A 99 -9.212 -4.666 -3.507 1.00 0.00 O ATOM 0 H GLY A 99 -11.794 -1.896 -1.502 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -11.352 -3.376 -3.829 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -10.521 -1.918 -3.325 1.00 0.00 H new ATOM 1460 N ILE A 100 -8.819 -3.454 -1.644 1.00 0.00 N ATOM 1461 CA ILE A 100 -7.578 -4.158 -1.272 1.00 0.00 C ATOM 1462 C ILE A 100 -7.845 -5.648 -1.008 1.00 0.00 C ATOM 1463 O ILE A 100 -7.140 -6.511 -1.541 1.00 0.00 O ATOM 1464 CB ILE A 100 -6.899 -3.538 -0.026 1.00 0.00 C ATOM 1465 CG1 ILE A 100 -6.945 -1.997 0.093 1.00 0.00 C ATOM 1466 CG2 ILE A 100 -5.444 -4.027 0.046 1.00 0.00 C ATOM 1467 CD1 ILE A 100 -6.372 -1.215 -1.096 1.00 0.00 C ATOM 0 H ILE A 100 -9.094 -2.730 -0.981 1.00 0.00 H new ATOM 0 HA ILE A 100 -6.902 -4.050 -2.120 1.00 0.00 H new ATOM 0 HB ILE A 100 -7.494 -3.883 0.820 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -7.982 -1.694 0.236 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -6.401 -1.705 0.991 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -4.958 -3.595 0.921 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -5.429 -5.114 0.122 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -4.912 -3.719 -0.854 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -6.457 -0.146 -0.903 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -5.323 -1.477 -1.232 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -6.929 -1.466 -1.999 1.00 0.00 H new ATOM 1479 N VAL A 101 -8.876 -5.957 -0.205 1.00 0.00 N ATOM 1480 CA VAL A 101 -9.273 -7.340 0.118 1.00 0.00 C ATOM 1481 C VAL A 101 -9.697 -8.099 -1.131 1.00 0.00 C ATOM 1482 O VAL A 101 -9.179 -9.185 -1.387 1.00 0.00 O ATOM 1483 CB VAL A 101 -10.387 -7.375 1.189 1.00 0.00 C ATOM 1484 CG1 VAL A 101 -10.835 -8.803 1.526 1.00 0.00 C ATOM 1485 CG2 VAL A 101 -9.912 -6.740 2.503 1.00 0.00 C ATOM 0 H VAL A 101 -9.462 -5.251 0.242 1.00 0.00 H new ATOM 0 HA VAL A 101 -8.398 -7.839 0.534 1.00 0.00 H new ATOM 0 HB VAL A 101 -11.219 -6.818 0.758 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -11.618 -8.769 2.283 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -11.219 -9.285 0.627 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -9.986 -9.370 1.907 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -10.716 -6.779 3.238 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -9.049 -7.288 2.881 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -9.633 -5.701 2.325 1.00 0.00 H new ATOM 1495 N SER A 102 -10.594 -7.545 -1.948 1.00 0.00 N ATOM 1496 CA SER A 102 -11.083 -8.218 -3.167 1.00 0.00 C ATOM 1497 C SER A 102 -9.966 -8.509 -4.179 1.00 0.00 C ATOM 1498 O SER A 102 -9.880 -9.622 -4.690 1.00 0.00 O ATOM 1499 CB SER A 102 -12.209 -7.434 -3.851 1.00 0.00 C ATOM 1500 OG SER A 102 -11.861 -6.095 -4.130 1.00 0.00 O ATOM 0 H SER A 102 -11.004 -6.624 -1.791 1.00 0.00 H new ATOM 0 HA SER A 102 -11.481 -9.173 -2.824 1.00 0.00 H new ATOM 0 HB2 SER A 102 -12.479 -7.934 -4.781 1.00 0.00 H new ATOM 0 HB3 SER A 102 -13.093 -7.448 -3.213 1.00 0.00 H new ATOM 0 HG SER A 102 -12.132 -5.524 -3.381 1.00 0.00 H new ATOM 1506 N HIS A 103 -9.056 -7.555 -4.397 1.00 0.00 N ATOM 1507 CA HIS A 103 -7.826 -7.731 -5.181 1.00 0.00 C ATOM 1508 C HIS A 103 -6.985 -8.948 -4.727 1.00 0.00 C ATOM 1509 O HIS A 103 -6.390 -9.625 -5.571 1.00 0.00 O ATOM 1510 CB HIS A 103 -7.028 -6.412 -5.132 1.00 0.00 C ATOM 1511 CG HIS A 103 -5.591 -6.514 -5.562 1.00 0.00 C ATOM 1512 ND1 HIS A 103 -5.063 -6.210 -6.797 1.00 0.00 N ATOM 1513 CD2 HIS A 103 -4.549 -6.901 -4.759 1.00 0.00 C ATOM 1514 CE1 HIS A 103 -3.741 -6.429 -6.748 1.00 0.00 C ATOM 1515 NE2 HIS A 103 -3.372 -6.852 -5.522 1.00 0.00 N ATOM 0 H HIS A 103 -9.156 -6.611 -4.023 1.00 0.00 H new ATOM 0 HA HIS A 103 -8.095 -7.957 -6.213 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -7.529 -5.680 -5.766 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -7.059 -6.026 -4.113 1.00 0.00 H new ATOM 0 HD1 HIS A 103 -5.586 -5.877 -7.607 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -4.621 -7.192 -3.722 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -3.064 -6.286 -7.577 1.00 0.00 H new ATOM 1523 N LEU A 104 -6.964 -9.271 -3.425 1.00 0.00 N ATOM 1524 CA LEU A 104 -6.317 -10.476 -2.891 1.00 0.00 C ATOM 1525 C LEU A 104 -7.185 -11.732 -3.108 1.00 0.00 C ATOM 1526 O LEU A 104 -6.703 -12.728 -3.645 1.00 0.00 O ATOM 1527 CB LEU A 104 -5.958 -10.212 -1.410 1.00 0.00 C ATOM 1528 CG LEU A 104 -5.163 -11.301 -0.652 1.00 0.00 C ATOM 1529 CD1 LEU A 104 -6.035 -12.476 -0.206 1.00 0.00 C ATOM 1530 CD2 LEU A 104 -3.976 -11.834 -1.454 1.00 0.00 C ATOM 0 H LEU A 104 -7.401 -8.695 -2.706 1.00 0.00 H new ATOM 0 HA LEU A 104 -5.395 -10.687 -3.433 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -5.384 -9.287 -1.365 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -6.887 -10.037 -0.867 1.00 0.00 H new ATOM 0 HG LEU A 104 -4.785 -10.794 0.236 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.420 -13.206 0.320 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.819 -12.115 0.460 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -6.488 -12.945 -1.079 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -3.456 -12.595 -0.872 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -4.334 -12.271 -2.386 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -3.291 -11.016 -1.677 1.00 0.00 H new ATOM 1542 N LYS A 105 -8.470 -11.716 -2.735 1.00 0.00 N ATOM 1543 CA LYS A 105 -9.375 -12.892 -2.863 1.00 0.00 C ATOM 1544 C LYS A 105 -9.523 -13.392 -4.306 1.00 0.00 C ATOM 1545 O LYS A 105 -9.650 -14.595 -4.531 1.00 0.00 O ATOM 1546 CB LYS A 105 -10.760 -12.572 -2.272 1.00 0.00 C ATOM 1547 CG LYS A 105 -10.753 -12.199 -0.778 1.00 0.00 C ATOM 1548 CD LYS A 105 -10.127 -13.240 0.171 1.00 0.00 C ATOM 1549 CE LYS A 105 -10.821 -14.606 0.153 1.00 0.00 C ATOM 1550 NZ LYS A 105 -12.185 -14.565 0.758 1.00 0.00 N ATOM 0 H LYS A 105 -8.923 -10.894 -2.335 1.00 0.00 H new ATOM 0 HA LYS A 105 -8.908 -13.699 -2.298 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -11.199 -11.749 -2.836 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -11.409 -13.437 -2.413 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -10.215 -11.258 -0.660 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -11.781 -12.020 -0.463 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -9.079 -13.374 -0.096 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -10.149 -12.847 1.188 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -10.894 -14.959 -0.876 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -10.209 -15.327 0.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -12.610 -15.513 0.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -12.116 -14.255 1.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -12.780 -13.898 0.227 1.00 0.00 H new ATOM 1564 N LYS A 106 -9.429 -12.491 -5.285 1.00 0.00 N ATOM 1565 CA LYS A 106 -9.451 -12.786 -6.740 1.00 0.00 C ATOM 1566 C LYS A 106 -8.243 -13.589 -7.258 1.00 0.00 C ATOM 1567 O LYS A 106 -8.313 -14.117 -8.366 1.00 0.00 O ATOM 1568 CB LYS A 106 -9.600 -11.466 -7.526 1.00 0.00 C ATOM 1569 CG LYS A 106 -11.021 -10.875 -7.470 1.00 0.00 C ATOM 1570 CD LYS A 106 -12.032 -11.663 -8.326 1.00 0.00 C ATOM 1571 CE LYS A 106 -13.404 -10.970 -8.294 1.00 0.00 C ATOM 1572 NZ LYS A 106 -14.411 -11.706 -9.102 1.00 0.00 N ATOM 0 H LYS A 106 -9.331 -11.494 -5.091 1.00 0.00 H new ATOM 0 HA LYS A 106 -10.310 -13.437 -6.904 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -8.895 -10.735 -7.130 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -9.328 -11.640 -8.567 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -11.362 -10.860 -6.435 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -10.992 -9.840 -7.811 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -11.675 -11.732 -9.353 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -12.122 -12.682 -7.951 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -13.750 -10.895 -7.263 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -13.307 -9.953 -8.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -15.323 -11.209 -9.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -14.093 -11.756 -10.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -14.522 -12.669 -8.725 1.00 0.00 H new ATOM 1586 N GLN A 107 -7.168 -13.727 -6.471 1.00 0.00 N ATOM 1587 CA GLN A 107 -5.963 -14.495 -6.810 1.00 0.00 C ATOM 1588 C GLN A 107 -5.631 -15.601 -5.795 1.00 0.00 C ATOM 1589 O GLN A 107 -5.178 -16.681 -6.184 1.00 0.00 O ATOM 1590 CB GLN A 107 -4.782 -13.532 -7.002 1.00 0.00 C ATOM 1591 CG GLN A 107 -4.484 -12.569 -5.839 1.00 0.00 C ATOM 1592 CD GLN A 107 -3.355 -11.591 -6.163 1.00 0.00 C ATOM 1593 OE1 GLN A 107 -2.204 -11.962 -6.365 1.00 0.00 O ATOM 1594 NE2 GLN A 107 -3.632 -10.308 -6.199 1.00 0.00 N ATOM 0 H GLN A 107 -7.111 -13.292 -5.550 1.00 0.00 H new ATOM 0 HA GLN A 107 -6.163 -15.020 -7.744 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -3.887 -14.124 -7.192 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -4.968 -12.938 -7.897 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -5.387 -12.009 -5.595 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -4.218 -13.146 -4.953 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -4.586 -9.987 -6.033 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -2.893 -9.632 -6.393 1.00 0.00 H new ATOM 1603 N ALA A 108 -5.897 -15.363 -4.512 1.00 0.00 N ATOM 1604 CA ALA A 108 -5.782 -16.369 -3.445 1.00 0.00 C ATOM 1605 C ALA A 108 -6.907 -17.434 -3.476 1.00 0.00 C ATOM 1606 O ALA A 108 -6.727 -18.552 -2.981 1.00 0.00 O ATOM 1607 CB ALA A 108 -5.765 -15.638 -2.097 1.00 0.00 C ATOM 0 H ALA A 108 -6.204 -14.451 -4.174 1.00 0.00 H new ATOM 0 HA ALA A 108 -4.856 -16.922 -3.601 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -5.680 -16.365 -1.290 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -4.914 -14.957 -2.063 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -6.688 -15.071 -1.979 1.00 0.00 H new