USER MOD reduce.3.24.130724 H: found=0, std=0, add=962, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 960 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 Single : A 1 GLY N :NH3+ 140:sc= 0.0705 (180deg=0) USER MOD Single : A 2 SER OG : rot 63:sc= 1.11 USER MOD Single : A 3 HIS : no HD1:sc= -0.198 X(o=-0.2,f=-0.42) USER MOD Single : A 4 MET CE :methyl -129:sc=-0.00212 (180deg=-0.0226) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 103:sc= 0.127 USER MOD Single : A 19 MET CE :methyl -163:sc= -0.616 (180deg=-1.95!) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 160:sc= -0.18 USER MOD Single : A 29 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= -8.19! C(o=-8.2!,f=-7.7!) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot -2:sc= 1.06 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -1.1 K(o=-1.1,f=-3.3!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.104 X(o=-0.1,f=-0.0029) USER MOD Single : A 62 ASN : amide:sc= -0.911 K(o=-0.91,f=-0.2) USER MOD Single : A 68 SER OG : rot -170:sc= -5.57! USER MOD Single : A 69 TYR OH : rot 30:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -10.6! C(o=-11!,f=-9!) USER MOD Single : A 86 THR OG1 : rot -160:sc= -5.22! USER MOD Single : A 88 TYR OH : rot -148:sc= 0.00103 USER MOD Single : A 90 SER OG : rot -105:sc= -0.469! USER MOD Single : A 91 LYS NZ :NH3+ 166:sc= 0.0542 (180deg=0.00142) USER MOD Single : A 95 THR OG1 : rot 111:sc= 0.363 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= -0.61 USER MOD Single : A 99 ASN : amide:sc= -0.748 K(o=-0.75,f=0) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ -179:sc= -1.11 (180deg=-1.12) USER MOD Single : A 110 SER OG : rot -110:sc= -0.276 USER MOD Single : A 118 GLN : amide:sc= -1.74 K(o=-1.7,f=-2.4) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.389 9.427 20.021 1.00 0.00 N ATOM 2 CA GLY A 1 18.178 9.579 19.166 1.00 0.00 C ATOM 3 C GLY A 1 18.100 11.012 18.641 1.00 0.00 C ATOM 4 O GLY A 1 18.587 11.937 19.261 1.00 0.00 O ATOM 0 H1 GLY A 1 19.159 8.839 20.847 1.00 0.00 H new ATOM 0 H2 GLY A 1 20.147 8.972 19.472 1.00 0.00 H new ATOM 0 H3 GLY A 1 19.708 10.364 20.341 1.00 0.00 H new ATOM 0 HA2 GLY A 1 18.218 8.877 18.333 1.00 0.00 H new ATOM 0 HA3 GLY A 1 17.282 9.342 19.740 1.00 0.00 H new ATOM 10 N SER A 2 17.492 11.204 17.503 1.00 0.00 N ATOM 11 CA SER A 2 17.383 12.579 16.938 1.00 0.00 C ATOM 12 C SER A 2 16.327 12.615 15.830 1.00 0.00 C ATOM 13 O SER A 2 16.615 12.357 14.679 1.00 0.00 O ATOM 14 CB SER A 2 18.768 12.884 16.368 1.00 0.00 C ATOM 15 OG SER A 2 18.968 12.122 15.184 1.00 0.00 O ATOM 0 H SER A 2 17.066 10.468 16.940 1.00 0.00 H new ATOM 0 HA SER A 2 17.080 13.310 17.688 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.857 13.948 16.149 1.00 0.00 H new ATOM 0 HB3 SER A 2 19.537 12.644 17.103 1.00 0.00 H new ATOM 0 HG SER A 2 18.315 12.394 14.506 1.00 0.00 H new ATOM 21 N HIS A 3 15.106 12.936 16.167 1.00 0.00 N ATOM 22 CA HIS A 3 14.041 12.989 15.125 1.00 0.00 C ATOM 23 C HIS A 3 14.497 13.874 13.964 1.00 0.00 C ATOM 24 O HIS A 3 15.611 14.360 13.945 1.00 0.00 O ATOM 25 CB HIS A 3 12.824 13.600 15.825 1.00 0.00 C ATOM 26 CG HIS A 3 11.743 12.560 15.947 1.00 0.00 C ATOM 27 ND1 HIS A 3 12.026 11.219 16.158 1.00 0.00 N ATOM 28 CD2 HIS A 3 10.374 12.649 15.890 1.00 0.00 C ATOM 29 CE1 HIS A 3 10.853 10.562 16.219 1.00 0.00 C ATOM 30 NE2 HIS A 3 9.814 11.385 16.062 1.00 0.00 N ATOM 0 H HIS A 3 14.802 13.163 17.114 1.00 0.00 H new ATOM 0 HA HIS A 3 13.814 12.007 14.711 1.00 0.00 H new ATOM 0 HB2 HIS A 3 13.105 13.966 16.813 1.00 0.00 H new ATOM 0 HB3 HIS A 3 12.458 14.457 15.260 1.00 0.00 H new ATOM 0 HD2 HIS A 3 9.816 13.561 15.735 1.00 0.00 H new ATOM 0 HE1 HIS A 3 10.763 9.497 16.376 1.00 0.00 H new ATOM 0 HE2 HIS A 3 8.824 11.141 16.067 1.00 0.00 H new ATOM 38 N MET A 4 13.654 14.085 12.991 1.00 0.00 N ATOM 39 CA MET A 4 14.058 14.938 11.833 1.00 0.00 C ATOM 40 C MET A 4 12.835 15.326 10.997 1.00 0.00 C ATOM 41 O MET A 4 12.656 16.475 10.644 1.00 0.00 O ATOM 42 CB MET A 4 15.037 14.094 10.995 1.00 0.00 C ATOM 43 CG MET A 4 14.843 12.597 11.268 1.00 0.00 C ATOM 44 SD MET A 4 15.672 11.635 9.977 1.00 0.00 S ATOM 45 CE MET A 4 17.353 11.765 10.636 1.00 0.00 C ATOM 0 H MET A 4 12.708 13.707 12.945 1.00 0.00 H new ATOM 0 HA MET A 4 14.522 15.865 12.170 1.00 0.00 H new ATOM 0 HB2 MET A 4 14.883 14.297 9.935 1.00 0.00 H new ATOM 0 HB3 MET A 4 16.062 14.380 11.229 1.00 0.00 H new ATOM 0 HG2 MET A 4 15.249 12.339 12.246 1.00 0.00 H new ATOM 0 HG3 MET A 4 13.780 12.355 11.291 1.00 0.00 H new ATOM 0 HE1 MET A 4 18.027 12.106 9.850 1.00 0.00 H new ATOM 0 HE2 MET A 4 17.367 12.478 11.460 1.00 0.00 H new ATOM 0 HE3 MET A 4 17.679 10.789 10.995 1.00 0.00 H new ATOM 55 N THR A 5 11.994 14.382 10.674 1.00 0.00 N ATOM 56 CA THR A 5 10.790 14.709 9.856 1.00 0.00 C ATOM 57 C THR A 5 9.520 14.214 10.553 1.00 0.00 C ATOM 58 O THR A 5 9.568 13.355 11.411 1.00 0.00 O ATOM 59 CB THR A 5 11.002 13.968 8.536 1.00 0.00 C ATOM 60 OG1 THR A 5 10.832 12.573 8.747 1.00 0.00 O ATOM 61 CG2 THR A 5 12.415 14.240 8.019 1.00 0.00 C ATOM 0 H THR A 5 12.087 13.402 10.940 1.00 0.00 H new ATOM 0 HA THR A 5 10.669 15.782 9.710 1.00 0.00 H new ATOM 0 HB THR A 5 10.276 14.316 7.801 1.00 0.00 H new ATOM 0 HG1 THR A 5 10.966 12.096 7.902 1.00 0.00 H new ATOM 0 HG21 THR A 5 12.566 13.712 7.078 1.00 0.00 H new ATOM 0 HG22 THR A 5 12.544 15.310 7.859 1.00 0.00 H new ATOM 0 HG23 THR A 5 13.144 13.892 8.751 1.00 0.00 H new ATOM 69 N GLU A 6 8.383 14.747 10.191 1.00 0.00 N ATOM 70 CA GLU A 6 7.114 14.301 10.837 1.00 0.00 C ATOM 71 C GLU A 6 5.900 14.695 9.985 1.00 0.00 C ATOM 72 O GLU A 6 4.785 14.751 10.467 1.00 0.00 O ATOM 73 CB GLU A 6 7.087 15.026 12.183 1.00 0.00 C ATOM 74 CG GLU A 6 7.118 16.537 11.949 1.00 0.00 C ATOM 75 CD GLU A 6 6.616 17.257 13.202 1.00 0.00 C ATOM 76 OE1 GLU A 6 5.418 17.460 13.305 1.00 0.00 O ATOM 77 OE2 GLU A 6 7.439 17.594 14.037 1.00 0.00 O ATOM 0 H GLU A 6 8.278 15.469 9.479 1.00 0.00 H new ATOM 0 HA GLU A 6 7.070 13.218 10.950 1.00 0.00 H new ATOM 0 HB2 GLU A 6 6.190 14.752 12.738 1.00 0.00 H new ATOM 0 HB3 GLU A 6 7.941 14.723 12.788 1.00 0.00 H new ATOM 0 HG2 GLU A 6 8.132 16.859 11.714 1.00 0.00 H new ATOM 0 HG3 GLU A 6 6.495 16.796 11.093 1.00 0.00 H new ATOM 84 N ARG A 7 6.101 14.960 8.721 1.00 0.00 N ATOM 85 CA ARG A 7 4.950 15.338 7.844 1.00 0.00 C ATOM 86 C ARG A 7 5.122 14.713 6.462 1.00 0.00 C ATOM 87 O ARG A 7 4.650 15.232 5.471 1.00 0.00 O ATOM 88 CB ARG A 7 5.002 16.858 7.730 1.00 0.00 C ATOM 89 CG ARG A 7 4.751 17.489 9.102 1.00 0.00 C ATOM 90 CD ARG A 7 4.033 18.828 8.924 1.00 0.00 C ATOM 91 NE ARG A 7 4.486 19.661 10.072 1.00 0.00 N ATOM 92 CZ ARG A 7 4.653 20.947 9.924 1.00 0.00 C ATOM 93 NH1 ARG A 7 3.749 21.658 9.308 1.00 0.00 N ATOM 94 NH2 ARG A 7 5.724 21.522 10.397 1.00 0.00 N ATOM 0 H ARG A 7 7.009 14.932 8.257 1.00 0.00 H new ATOM 0 HA ARG A 7 4.000 14.991 8.252 1.00 0.00 H new ATOM 0 HB2 ARG A 7 5.974 17.170 7.348 1.00 0.00 H new ATOM 0 HB3 ARG A 7 4.253 17.204 7.018 1.00 0.00 H new ATOM 0 HG2 ARG A 7 4.149 16.820 9.717 1.00 0.00 H new ATOM 0 HG3 ARG A 7 5.696 17.638 9.624 1.00 0.00 H new ATOM 0 HD2 ARG A 7 4.292 19.292 7.972 1.00 0.00 H new ATOM 0 HD3 ARG A 7 2.951 18.700 8.932 1.00 0.00 H new ATOM 0 HE ARG A 7 4.666 19.225 10.977 1.00 0.00 H new ATOM 0 HH11 ARG A 7 2.910 21.209 8.941 1.00 0.00 H new ATOM 0 HH12 ARG A 7 3.881 22.663 9.193 1.00 0.00 H new ATOM 0 HH21 ARG A 7 6.429 20.967 10.882 1.00 0.00 H new ATOM 0 HH22 ARG A 7 5.856 22.527 10.282 1.00 0.00 H new ATOM 108 N ARG A 8 5.796 13.606 6.389 1.00 0.00 N ATOM 109 CA ARG A 8 6.003 12.953 5.074 1.00 0.00 C ATOM 110 C ARG A 8 5.030 11.787 4.919 1.00 0.00 C ATOM 111 O ARG A 8 5.016 10.870 5.717 1.00 0.00 O ATOM 112 CB ARG A 8 7.448 12.457 5.114 1.00 0.00 C ATOM 113 CG ARG A 8 8.397 13.650 5.261 1.00 0.00 C ATOM 114 CD ARG A 8 8.217 14.598 4.074 1.00 0.00 C ATOM 115 NE ARG A 8 9.456 15.425 4.053 1.00 0.00 N ATOM 116 CZ ARG A 8 9.549 16.444 3.243 1.00 0.00 C ATOM 117 NH1 ARG A 8 8.477 17.106 2.899 1.00 0.00 N ATOM 118 NH2 ARG A 8 10.715 16.806 2.781 1.00 0.00 N ATOM 0 H ARG A 8 6.214 13.124 7.185 1.00 0.00 H new ATOM 0 HA ARG A 8 5.828 13.624 4.233 1.00 0.00 H new ATOM 0 HB2 ARG A 8 7.583 11.767 5.947 1.00 0.00 H new ATOM 0 HB3 ARG A 8 7.679 11.906 4.203 1.00 0.00 H new ATOM 0 HG2 ARG A 8 8.194 14.176 6.194 1.00 0.00 H new ATOM 0 HG3 ARG A 8 9.429 13.303 5.309 1.00 0.00 H new ATOM 0 HD2 ARG A 8 8.095 14.046 3.142 1.00 0.00 H new ATOM 0 HD3 ARG A 8 7.329 15.219 4.195 1.00 0.00 H new ATOM 0 HE ARG A 8 10.233 15.194 4.673 1.00 0.00 H new ATOM 0 HH11 ARG A 8 7.566 16.827 3.264 1.00 0.00 H new ATOM 0 HH12 ARG A 8 8.551 17.902 2.266 1.00 0.00 H new ATOM 0 HH21 ARG A 8 11.553 16.292 3.053 1.00 0.00 H new ATOM 0 HH22 ARG A 8 10.788 17.602 2.148 1.00 0.00 H new ATOM 132 N LEU A 9 4.221 11.806 3.898 1.00 0.00 N ATOM 133 CA LEU A 9 3.266 10.693 3.702 1.00 0.00 C ATOM 134 C LEU A 9 4.036 9.490 3.178 1.00 0.00 C ATOM 135 O LEU A 9 4.900 9.624 2.335 1.00 0.00 O ATOM 136 CB LEU A 9 2.260 11.196 2.665 1.00 0.00 C ATOM 137 CG LEU A 9 0.837 10.954 3.169 1.00 0.00 C ATOM 138 CD1 LEU A 9 0.655 9.473 3.505 1.00 0.00 C ATOM 139 CD2 LEU A 9 0.590 11.795 4.425 1.00 0.00 C ATOM 0 H LEU A 9 4.183 12.544 3.195 1.00 0.00 H new ATOM 0 HA LEU A 9 2.757 10.394 4.618 1.00 0.00 H new ATOM 0 HB2 LEU A 9 2.415 12.259 2.480 1.00 0.00 H new ATOM 0 HB3 LEU A 9 2.413 10.681 1.716 1.00 0.00 H new ATOM 0 HG LEU A 9 0.126 11.239 2.393 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.360 9.303 3.864 1.00 0.00 H new ATOM 0 HD12 LEU A 9 0.829 8.873 2.612 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.366 9.185 4.279 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.424 11.623 4.785 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.303 11.511 5.199 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.716 12.851 4.186 1.00 0.00 H new ATOM 151 N ARG A 10 3.768 8.320 3.674 1.00 0.00 N ATOM 152 CA ARG A 10 4.544 7.157 3.184 1.00 0.00 C ATOM 153 C ARG A 10 3.630 6.098 2.561 1.00 0.00 C ATOM 154 O ARG A 10 2.588 5.765 3.087 1.00 0.00 O ATOM 155 CB ARG A 10 5.251 6.607 4.423 1.00 0.00 C ATOM 156 CG ARG A 10 6.177 7.683 4.994 1.00 0.00 C ATOM 157 CD ARG A 10 7.544 7.595 4.311 1.00 0.00 C ATOM 158 NE ARG A 10 8.167 6.359 4.860 1.00 0.00 N ATOM 159 CZ ARG A 10 9.412 6.070 4.584 1.00 0.00 C ATOM 160 NH1 ARG A 10 10.131 6.886 3.862 1.00 0.00 N ATOM 161 NH2 ARG A 10 9.940 4.966 5.036 1.00 0.00 N ATOM 0 H ARG A 10 3.061 8.121 4.382 1.00 0.00 H new ATOM 0 HA ARG A 10 5.246 7.441 2.400 1.00 0.00 H new ATOM 0 HB2 ARG A 10 4.518 6.307 5.172 1.00 0.00 H new ATOM 0 HB3 ARG A 10 5.824 5.717 4.164 1.00 0.00 H new ATOM 0 HG2 ARG A 10 5.744 8.671 4.838 1.00 0.00 H new ATOM 0 HG3 ARG A 10 6.287 7.549 6.070 1.00 0.00 H new ATOM 0 HD2 ARG A 10 7.441 7.538 3.227 1.00 0.00 H new ATOM 0 HD3 ARG A 10 8.151 8.474 4.528 1.00 0.00 H new ATOM 0 HE ARG A 10 7.620 5.735 5.454 1.00 0.00 H new ATOM 0 HH11 ARG A 10 9.722 7.752 3.511 1.00 0.00 H new ATOM 0 HH12 ARG A 10 11.102 6.658 3.649 1.00 0.00 H new ATOM 0 HH21 ARG A 10 9.382 4.329 5.604 1.00 0.00 H new ATOM 0 HH22 ARG A 10 10.911 4.740 4.821 1.00 0.00 H new ATOM 175 N VAL A 11 4.025 5.565 1.440 1.00 0.00 N ATOM 176 CA VAL A 11 3.193 4.524 0.773 1.00 0.00 C ATOM 177 C VAL A 11 4.060 3.318 0.391 1.00 0.00 C ATOM 178 O VAL A 11 4.614 3.256 -0.686 1.00 0.00 O ATOM 179 CB VAL A 11 2.640 5.213 -0.475 1.00 0.00 C ATOM 180 CG1 VAL A 11 2.098 4.163 -1.445 1.00 0.00 C ATOM 181 CG2 VAL A 11 1.511 6.166 -0.073 1.00 0.00 C ATOM 0 H VAL A 11 4.890 5.805 0.955 1.00 0.00 H new ATOM 0 HA VAL A 11 2.399 4.146 1.417 1.00 0.00 H new ATOM 0 HB VAL A 11 3.438 5.776 -0.960 1.00 0.00 H new ATOM 0 HG11 VAL A 11 1.705 4.657 -2.333 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.901 3.485 -1.733 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.301 3.598 -0.961 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.116 6.658 -0.962 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.715 5.602 0.414 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.897 6.917 0.616 1.00 0.00 H new ATOM 191 N LEU A 12 4.178 2.356 1.264 1.00 0.00 N ATOM 192 CA LEU A 12 5.007 1.156 0.946 1.00 0.00 C ATOM 193 C LEU A 12 4.144 0.102 0.247 1.00 0.00 C ATOM 194 O LEU A 12 3.507 -0.707 0.885 1.00 0.00 O ATOM 195 CB LEU A 12 5.493 0.640 2.304 1.00 0.00 C ATOM 196 CG LEU A 12 6.385 1.689 2.974 1.00 0.00 C ATOM 197 CD1 LEU A 12 7.374 2.245 1.951 1.00 0.00 C ATOM 198 CD2 LEU A 12 5.519 2.827 3.523 1.00 0.00 C ATOM 0 H LEU A 12 3.737 2.348 2.184 1.00 0.00 H new ATOM 0 HA LEU A 12 5.838 1.386 0.279 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.639 0.415 2.943 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.047 -0.290 2.172 1.00 0.00 H new ATOM 0 HG LEU A 12 6.934 1.227 3.795 1.00 0.00 H new ATOM 0 HD11 LEU A 12 8.009 2.992 2.428 1.00 0.00 H new ATOM 0 HD12 LEU A 12 7.993 1.435 1.566 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.826 2.706 1.129 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.156 3.572 3.999 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.967 3.291 2.706 1.00 0.00 H new ATOM 0 HD23 LEU A 12 4.817 2.429 4.255 1.00 0.00 H new ATOM 210 N VAL A 13 4.102 0.108 -1.057 1.00 0.00 N ATOM 211 CA VAL A 13 3.255 -0.889 -1.770 1.00 0.00 C ATOM 212 C VAL A 13 4.110 -1.847 -2.594 1.00 0.00 C ATOM 213 O VAL A 13 5.156 -1.494 -3.100 1.00 0.00 O ATOM 214 CB VAL A 13 2.362 -0.048 -2.677 1.00 0.00 C ATOM 215 CG1 VAL A 13 1.773 1.113 -1.877 1.00 0.00 C ATOM 216 CG2 VAL A 13 3.197 0.515 -3.811 1.00 0.00 C ATOM 0 H VAL A 13 4.614 0.756 -1.656 1.00 0.00 H new ATOM 0 HA VAL A 13 2.684 -1.511 -1.081 1.00 0.00 H new ATOM 0 HB VAL A 13 1.559 -0.669 -3.074 1.00 0.00 H new ATOM 0 HG11 VAL A 13 1.135 1.714 -2.525 1.00 0.00 H new ATOM 0 HG12 VAL A 13 1.183 0.722 -1.048 1.00 0.00 H new ATOM 0 HG13 VAL A 13 2.580 1.733 -1.487 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.565 1.117 -4.464 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.994 1.137 -3.402 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.633 -0.304 -4.383 1.00 0.00 H new ATOM 226 N VAL A 14 3.663 -3.061 -2.727 1.00 0.00 N ATOM 227 CA VAL A 14 4.433 -4.059 -3.512 1.00 0.00 C ATOM 228 C VAL A 14 3.470 -5.076 -4.145 1.00 0.00 C ATOM 229 O VAL A 14 2.509 -5.505 -3.532 1.00 0.00 O ATOM 230 CB VAL A 14 5.370 -4.725 -2.499 1.00 0.00 C ATOM 231 CG1 VAL A 14 6.598 -3.838 -2.271 1.00 0.00 C ATOM 232 CG2 VAL A 14 4.648 -4.937 -1.170 1.00 0.00 C ATOM 0 H VAL A 14 2.792 -3.407 -2.323 1.00 0.00 H new ATOM 0 HA VAL A 14 4.995 -3.612 -4.332 1.00 0.00 H new ATOM 0 HB VAL A 14 5.682 -5.692 -2.894 1.00 0.00 H new ATOM 0 HG11 VAL A 14 7.262 -4.315 -1.550 1.00 0.00 H new ATOM 0 HG12 VAL A 14 7.126 -3.699 -3.214 1.00 0.00 H new ATOM 0 HG13 VAL A 14 6.280 -2.869 -1.886 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.325 -5.411 -0.460 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.323 -3.975 -0.775 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.780 -5.577 -1.326 1.00 0.00 H new ATOM 242 N GLU A 15 3.704 -5.444 -5.378 1.00 0.00 N ATOM 243 CA GLU A 15 2.782 -6.406 -6.055 1.00 0.00 C ATOM 244 C GLU A 15 3.545 -7.414 -6.916 1.00 0.00 C ATOM 245 O GLU A 15 3.499 -8.604 -6.677 1.00 0.00 O ATOM 246 CB GLU A 15 1.928 -5.534 -6.957 1.00 0.00 C ATOM 247 CG GLU A 15 0.453 -5.672 -6.579 1.00 0.00 C ATOM 248 CD GLU A 15 -0.308 -6.335 -7.729 1.00 0.00 C ATOM 249 OE1 GLU A 15 -0.298 -7.553 -7.796 1.00 0.00 O ATOM 250 OE2 GLU A 15 -0.889 -5.614 -8.524 1.00 0.00 O ATOM 0 H GLU A 15 4.489 -5.122 -5.944 1.00 0.00 H new ATOM 0 HA GLU A 15 2.211 -6.983 -5.328 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.238 -4.493 -6.869 1.00 0.00 H new ATOM 0 HB3 GLU A 15 2.073 -5.823 -7.998 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.353 -6.268 -5.672 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.028 -4.691 -6.365 1.00 0.00 H new ATOM 257 N ASP A 16 4.232 -6.956 -7.930 1.00 0.00 N ATOM 258 CA ASP A 16 4.970 -7.908 -8.802 1.00 0.00 C ATOM 259 C ASP A 16 6.037 -7.191 -9.642 1.00 0.00 C ATOM 260 O ASP A 16 7.207 -7.506 -9.555 1.00 0.00 O ATOM 261 CB ASP A 16 3.900 -8.531 -9.702 1.00 0.00 C ATOM 262 CG ASP A 16 4.562 -9.198 -10.911 1.00 0.00 C ATOM 263 OD1 ASP A 16 5.436 -10.022 -10.703 1.00 0.00 O ATOM 264 OD2 ASP A 16 4.182 -8.872 -12.024 1.00 0.00 O ATOM 0 H ASP A 16 4.312 -5.972 -8.188 1.00 0.00 H new ATOM 0 HA ASP A 16 5.505 -8.656 -8.216 1.00 0.00 H new ATOM 0 HB2 ASP A 16 3.323 -9.266 -9.141 1.00 0.00 H new ATOM 0 HB3 ASP A 16 3.201 -7.764 -10.036 1.00 0.00 H new ATOM 269 N GLU A 17 5.661 -6.249 -10.472 1.00 0.00 N ATOM 270 CA GLU A 17 6.697 -5.573 -11.309 1.00 0.00 C ATOM 271 C GLU A 17 6.219 -4.217 -11.859 1.00 0.00 C ATOM 272 O GLU A 17 5.541 -3.460 -11.193 1.00 0.00 O ATOM 273 CB GLU A 17 6.950 -6.555 -12.454 1.00 0.00 C ATOM 274 CG GLU A 17 8.422 -6.496 -12.866 1.00 0.00 C ATOM 275 CD GLU A 17 9.236 -7.461 -12.001 1.00 0.00 C ATOM 276 OE1 GLU A 17 8.633 -8.316 -11.374 1.00 0.00 O ATOM 277 OE2 GLU A 17 10.448 -7.327 -11.980 1.00 0.00 O ATOM 0 H GLU A 17 4.703 -5.925 -10.604 1.00 0.00 H new ATOM 0 HA GLU A 17 7.591 -5.345 -10.728 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.689 -7.567 -12.143 1.00 0.00 H new ATOM 0 HB3 GLU A 17 6.314 -6.309 -13.304 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.526 -6.759 -13.919 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.802 -5.481 -12.752 1.00 0.00 H new ATOM 284 N SER A 18 6.614 -3.907 -13.069 1.00 0.00 N ATOM 285 CA SER A 18 6.252 -2.600 -13.706 1.00 0.00 C ATOM 286 C SER A 18 4.782 -2.208 -13.498 1.00 0.00 C ATOM 287 O SER A 18 4.424 -1.058 -13.659 1.00 0.00 O ATOM 288 CB SER A 18 6.525 -2.814 -15.194 1.00 0.00 C ATOM 289 OG SER A 18 7.743 -3.530 -15.350 1.00 0.00 O ATOM 0 H SER A 18 7.184 -4.517 -13.655 1.00 0.00 H new ATOM 0 HA SER A 18 6.828 -1.788 -13.263 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.704 -3.367 -15.650 1.00 0.00 H new ATOM 0 HB3 SER A 18 6.586 -1.854 -15.706 1.00 0.00 H new ATOM 0 HG SER A 18 7.547 -4.467 -15.562 1.00 0.00 H new ATOM 295 N MET A 19 3.920 -3.124 -13.158 1.00 0.00 N ATOM 296 CA MET A 19 2.491 -2.737 -12.971 1.00 0.00 C ATOM 297 C MET A 19 2.355 -1.847 -11.751 1.00 0.00 C ATOM 298 O MET A 19 1.648 -0.859 -11.753 1.00 0.00 O ATOM 299 CB MET A 19 1.735 -4.044 -12.747 1.00 0.00 C ATOM 300 CG MET A 19 2.295 -4.771 -11.522 1.00 0.00 C ATOM 301 SD MET A 19 1.715 -6.484 -11.529 1.00 0.00 S ATOM 302 CE MET A 19 0.029 -6.162 -12.100 1.00 0.00 C ATOM 0 H MET A 19 4.136 -4.109 -13.003 1.00 0.00 H new ATOM 0 HA MET A 19 2.104 -2.188 -13.829 1.00 0.00 H new ATOM 0 HB2 MET A 19 0.674 -3.840 -12.605 1.00 0.00 H new ATOM 0 HB3 MET A 19 1.822 -4.679 -13.628 1.00 0.00 H new ATOM 0 HG2 MET A 19 3.385 -4.744 -11.535 1.00 0.00 H new ATOM 0 HG3 MET A 19 1.974 -4.270 -10.609 1.00 0.00 H new ATOM 0 HE1 MET A 19 -0.597 -7.030 -11.893 1.00 0.00 H new ATOM 0 HE2 MET A 19 -0.372 -5.292 -11.579 1.00 0.00 H new ATOM 0 HE3 MET A 19 0.039 -5.970 -13.173 1.00 0.00 H new ATOM 312 N ILE A 20 3.028 -2.200 -10.707 1.00 0.00 N ATOM 313 CA ILE A 20 2.953 -1.398 -9.470 1.00 0.00 C ATOM 314 C ILE A 20 4.184 -0.516 -9.356 1.00 0.00 C ATOM 315 O ILE A 20 4.624 -0.167 -8.278 1.00 0.00 O ATOM 316 CB ILE A 20 2.930 -2.435 -8.369 1.00 0.00 C ATOM 317 CG1 ILE A 20 2.898 -1.717 -7.022 1.00 0.00 C ATOM 318 CG2 ILE A 20 4.176 -3.315 -8.467 1.00 0.00 C ATOM 319 CD1 ILE A 20 1.889 -2.386 -6.082 1.00 0.00 C ATOM 0 H ILE A 20 3.634 -3.019 -10.656 1.00 0.00 H new ATOM 0 HA ILE A 20 2.088 -0.736 -9.434 1.00 0.00 H new ATOM 0 HB ILE A 20 2.048 -3.067 -8.467 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.890 -1.733 -6.571 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.630 -0.670 -7.167 1.00 0.00 H new ATOM 0 HG21 ILE A 20 4.158 -4.061 -7.673 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.193 -3.815 -9.435 1.00 0.00 H new ATOM 0 HG23 ILE A 20 5.067 -2.696 -8.363 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.879 -1.862 -5.126 1.00 0.00 H new ATOM 0 HD12 ILE A 20 0.895 -2.347 -6.528 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.174 -3.426 -5.922 1.00 0.00 H new ATOM 331 N ALA A 21 4.747 -0.166 -10.468 1.00 0.00 N ATOM 332 CA ALA A 21 5.960 0.682 -10.456 1.00 0.00 C ATOM 333 C ALA A 21 5.611 2.100 -10.915 1.00 0.00 C ATOM 334 O ALA A 21 5.163 2.914 -10.136 1.00 0.00 O ATOM 335 CB ALA A 21 6.895 -0.012 -11.435 1.00 0.00 C ATOM 0 H ALA A 21 4.416 -0.433 -11.395 1.00 0.00 H new ATOM 0 HA ALA A 21 6.409 0.789 -9.469 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.831 0.542 -11.499 1.00 0.00 H new ATOM 0 HB2 ALA A 21 7.097 -1.026 -11.089 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.428 -0.051 -12.419 1.00 0.00 H new ATOM 341 N MET A 22 5.799 2.404 -12.169 1.00 0.00 N ATOM 342 CA MET A 22 5.460 3.774 -12.653 1.00 0.00 C ATOM 343 C MET A 22 4.106 4.203 -12.088 1.00 0.00 C ATOM 344 O MET A 22 3.846 5.375 -11.890 1.00 0.00 O ATOM 345 CB MET A 22 5.395 3.656 -14.175 1.00 0.00 C ATOM 346 CG MET A 22 6.254 4.755 -14.805 1.00 0.00 C ATOM 347 SD MET A 22 5.918 4.837 -16.582 1.00 0.00 S ATOM 348 CE MET A 22 5.924 6.640 -16.736 1.00 0.00 C ATOM 0 H MET A 22 6.170 1.769 -12.876 1.00 0.00 H new ATOM 0 HA MET A 22 6.191 4.519 -12.338 1.00 0.00 H new ATOM 0 HB2 MET A 22 5.750 2.675 -14.491 1.00 0.00 H new ATOM 0 HB3 MET A 22 4.363 3.746 -14.514 1.00 0.00 H new ATOM 0 HG2 MET A 22 6.036 5.715 -14.338 1.00 0.00 H new ATOM 0 HG3 MET A 22 7.311 4.550 -14.633 1.00 0.00 H new ATOM 0 HE1 MET A 22 5.732 6.917 -17.773 1.00 0.00 H new ATOM 0 HE2 MET A 22 5.148 7.062 -16.098 1.00 0.00 H new ATOM 0 HE3 MET A 22 6.896 7.028 -16.430 1.00 0.00 H new ATOM 358 N LEU A 23 3.243 3.262 -11.822 1.00 0.00 N ATOM 359 CA LEU A 23 1.907 3.612 -11.264 1.00 0.00 C ATOM 360 C LEU A 23 2.058 4.167 -9.839 1.00 0.00 C ATOM 361 O LEU A 23 1.124 4.687 -9.264 1.00 0.00 O ATOM 362 CB LEU A 23 1.136 2.285 -11.271 1.00 0.00 C ATOM 363 CG LEU A 23 -0.180 2.406 -10.494 1.00 0.00 C ATOM 364 CD1 LEU A 23 0.105 2.362 -8.995 1.00 0.00 C ATOM 365 CD2 LEU A 23 -0.890 3.719 -10.848 1.00 0.00 C ATOM 0 H LEU A 23 3.405 2.265 -11.967 1.00 0.00 H new ATOM 0 HA LEU A 23 1.392 4.383 -11.837 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.929 1.987 -12.299 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.752 1.501 -10.830 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.828 1.573 -10.766 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.831 2.448 -8.444 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.588 1.418 -8.744 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.762 3.189 -8.725 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.823 3.791 -10.289 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.247 4.561 -10.591 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.105 3.740 -11.916 1.00 0.00 H new ATOM 377 N ILE A 24 3.228 4.065 -9.261 1.00 0.00 N ATOM 378 CA ILE A 24 3.417 4.589 -7.875 1.00 0.00 C ATOM 379 C ILE A 24 4.306 5.838 -7.874 1.00 0.00 C ATOM 380 O ILE A 24 4.172 6.702 -7.029 1.00 0.00 O ATOM 381 CB ILE A 24 4.085 3.457 -7.097 1.00 0.00 C ATOM 382 CG1 ILE A 24 3.957 3.745 -5.601 1.00 0.00 C ATOM 383 CG2 ILE A 24 5.567 3.354 -7.469 1.00 0.00 C ATOM 384 CD1 ILE A 24 4.870 2.802 -4.823 1.00 0.00 C ATOM 0 H ILE A 24 4.055 3.645 -9.685 1.00 0.00 H new ATOM 0 HA ILE A 24 2.467 4.885 -7.429 1.00 0.00 H new ATOM 0 HB ILE A 24 3.597 2.514 -7.344 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.225 4.781 -5.395 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.923 3.614 -5.281 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.028 2.543 -6.906 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.661 3.154 -8.536 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.068 4.292 -7.230 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.780 3.006 -3.756 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.580 1.770 -5.021 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.903 2.955 -5.136 1.00 0.00 H new ATOM 396 N GLU A 25 5.208 5.946 -8.810 1.00 0.00 N ATOM 397 CA GLU A 25 6.095 7.144 -8.851 1.00 0.00 C ATOM 398 C GLU A 25 5.343 8.317 -9.476 1.00 0.00 C ATOM 399 O GLU A 25 5.648 9.469 -9.235 1.00 0.00 O ATOM 400 CB GLU A 25 7.285 6.739 -9.723 1.00 0.00 C ATOM 401 CG GLU A 25 8.288 5.945 -8.882 1.00 0.00 C ATOM 402 CD GLU A 25 9.714 6.324 -9.287 1.00 0.00 C ATOM 403 OE1 GLU A 25 9.943 7.491 -9.559 1.00 0.00 O ATOM 404 OE2 GLU A 25 10.555 5.440 -9.317 1.00 0.00 O ATOM 0 H GLU A 25 5.370 5.259 -9.547 1.00 0.00 H new ATOM 0 HA GLU A 25 6.418 7.457 -7.858 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.944 6.137 -10.565 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.764 7.626 -10.138 1.00 0.00 H new ATOM 0 HG2 GLU A 25 8.133 6.151 -7.823 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.131 4.876 -9.025 1.00 0.00 H new ATOM 411 N ASP A 26 4.352 8.028 -10.271 1.00 0.00 N ATOM 412 CA ASP A 26 3.564 9.115 -10.912 1.00 0.00 C ATOM 413 C ASP A 26 2.492 9.615 -9.938 1.00 0.00 C ATOM 414 O ASP A 26 2.290 10.802 -9.778 1.00 0.00 O ATOM 415 CB ASP A 26 2.939 8.462 -12.152 1.00 0.00 C ATOM 416 CG ASP A 26 1.671 7.695 -11.761 1.00 0.00 C ATOM 417 OD1 ASP A 26 0.624 8.317 -11.690 1.00 0.00 O ATOM 418 OD2 ASP A 26 1.769 6.498 -11.541 1.00 0.00 O ATOM 0 H ASP A 26 4.053 7.081 -10.505 1.00 0.00 H new ATOM 0 HA ASP A 26 4.167 9.982 -11.182 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.698 9.225 -12.892 1.00 0.00 H new ATOM 0 HB3 ASP A 26 3.655 7.784 -12.615 1.00 0.00 H new ATOM 423 N THR A 27 1.815 8.717 -9.276 1.00 0.00 N ATOM 424 CA THR A 27 0.774 9.143 -8.302 1.00 0.00 C ATOM 425 C THR A 27 1.403 10.085 -7.277 1.00 0.00 C ATOM 426 O THR A 27 0.874 11.135 -6.969 1.00 0.00 O ATOM 427 CB THR A 27 0.304 7.853 -7.632 1.00 0.00 C ATOM 428 OG1 THR A 27 1.434 7.102 -7.207 1.00 0.00 O ATOM 429 CG2 THR A 27 -0.516 7.031 -8.628 1.00 0.00 C ATOM 0 H THR A 27 1.938 7.709 -9.368 1.00 0.00 H new ATOM 0 HA THR A 27 -0.055 9.673 -8.771 1.00 0.00 H new ATOM 0 HB THR A 27 -0.315 8.095 -6.768 1.00 0.00 H new ATOM 0 HG1 THR A 27 1.161 6.462 -6.517 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.852 6.110 -8.151 1.00 0.00 H new ATOM 0 HG22 THR A 27 -1.382 7.609 -8.951 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.101 6.787 -9.493 1.00 0.00 H new ATOM 437 N LEU A 28 2.542 9.718 -6.759 1.00 0.00 N ATOM 438 CA LEU A 28 3.231 10.586 -5.766 1.00 0.00 C ATOM 439 C LEU A 28 3.517 11.950 -6.403 1.00 0.00 C ATOM 440 O LEU A 28 3.321 12.985 -5.796 1.00 0.00 O ATOM 441 CB LEU A 28 4.517 9.810 -5.421 1.00 0.00 C ATOM 442 CG LEU A 28 5.778 10.591 -5.821 1.00 0.00 C ATOM 443 CD1 LEU A 28 5.916 11.833 -4.940 1.00 0.00 C ATOM 444 CD2 LEU A 28 7.006 9.696 -5.638 1.00 0.00 C ATOM 0 H LEU A 28 3.027 8.849 -6.983 1.00 0.00 H new ATOM 0 HA LEU A 28 2.648 10.792 -4.868 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.541 9.604 -4.351 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.509 8.847 -5.931 1.00 0.00 H new ATOM 0 HG LEU A 28 5.700 10.897 -6.864 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.811 12.385 -5.226 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.041 12.470 -5.069 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.994 11.531 -3.896 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.903 10.247 -5.921 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.082 9.391 -4.594 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.909 8.812 -6.268 1.00 0.00 H new ATOM 456 N CYS A 29 3.970 11.957 -7.627 1.00 0.00 N ATOM 457 CA CYS A 29 4.255 13.250 -8.302 1.00 0.00 C ATOM 458 C CYS A 29 3.077 14.202 -8.096 1.00 0.00 C ATOM 459 O CYS A 29 3.228 15.408 -8.097 1.00 0.00 O ATOM 460 CB CYS A 29 4.412 12.904 -9.782 1.00 0.00 C ATOM 461 SG CYS A 29 5.260 14.260 -10.630 1.00 0.00 S ATOM 0 H CYS A 29 4.154 11.124 -8.186 1.00 0.00 H new ATOM 0 HA CYS A 29 5.145 13.741 -7.909 1.00 0.00 H new ATOM 0 HB2 CYS A 29 4.979 11.980 -9.893 1.00 0.00 H new ATOM 0 HB3 CYS A 29 3.434 12.734 -10.233 1.00 0.00 H new ATOM 0 HG CYS A 29 5.396 13.967 -11.889 1.00 0.00 H new ATOM 467 N GLU A 30 1.901 13.661 -7.928 1.00 0.00 N ATOM 468 CA GLU A 30 0.703 14.518 -7.728 1.00 0.00 C ATOM 469 C GLU A 30 0.362 14.654 -6.237 1.00 0.00 C ATOM 470 O GLU A 30 -0.434 15.488 -5.853 1.00 0.00 O ATOM 471 CB GLU A 30 -0.427 13.802 -8.472 1.00 0.00 C ATOM 472 CG GLU A 30 -0.201 13.915 -9.982 1.00 0.00 C ATOM 473 CD GLU A 30 -1.264 14.831 -10.593 1.00 0.00 C ATOM 474 OE1 GLU A 30 -1.058 16.034 -10.587 1.00 0.00 O ATOM 475 OE2 GLU A 30 -2.266 14.313 -11.058 1.00 0.00 O ATOM 0 H GLU A 30 1.720 12.657 -7.921 1.00 0.00 H new ATOM 0 HA GLU A 30 0.866 15.530 -8.099 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.463 12.753 -8.177 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.388 14.241 -8.204 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.794 14.312 -10.182 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.249 12.928 -10.442 1.00 0.00 H new ATOM 482 N LEU A 31 0.938 13.837 -5.393 1.00 0.00 N ATOM 483 CA LEU A 31 0.611 13.930 -3.937 1.00 0.00 C ATOM 484 C LEU A 31 1.779 14.531 -3.145 1.00 0.00 C ATOM 485 O LEU A 31 1.627 15.524 -2.462 1.00 0.00 O ATOM 486 CB LEU A 31 0.352 12.487 -3.500 1.00 0.00 C ATOM 487 CG LEU A 31 -1.078 12.088 -3.872 1.00 0.00 C ATOM 488 CD1 LEU A 31 -1.078 10.670 -4.444 1.00 0.00 C ATOM 489 CD2 LEU A 31 -1.966 12.131 -2.625 1.00 0.00 C ATOM 0 H LEU A 31 1.614 13.116 -5.645 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.246 14.579 -3.755 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.064 11.817 -3.981 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.500 12.390 -2.424 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.464 12.784 -4.617 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.096 10.385 -4.709 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.448 10.636 -5.333 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.690 9.977 -3.698 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.984 11.846 -2.893 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.580 11.437 -1.879 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.968 13.141 -2.214 1.00 0.00 H new ATOM 501 N GLY A 32 2.941 13.943 -3.226 1.00 0.00 N ATOM 502 CA GLY A 32 4.103 14.495 -2.469 1.00 0.00 C ATOM 503 C GLY A 32 4.782 13.380 -1.667 1.00 0.00 C ATOM 504 O GLY A 32 5.927 13.505 -1.285 1.00 0.00 O ATOM 0 H GLY A 32 3.137 13.109 -3.780 1.00 0.00 H new ATOM 0 HA2 GLY A 32 4.817 14.945 -3.159 1.00 0.00 H new ATOM 0 HA3 GLY A 32 3.768 15.285 -1.797 1.00 0.00 H new ATOM 508 N HIS A 33 4.067 12.305 -1.409 1.00 0.00 N ATOM 509 CA HIS A 33 4.621 11.145 -0.627 1.00 0.00 C ATOM 510 C HIS A 33 6.154 11.156 -0.593 1.00 0.00 C ATOM 511 O HIS A 33 6.810 11.393 -1.588 1.00 0.00 O ATOM 512 CB HIS A 33 4.115 9.906 -1.369 1.00 0.00 C ATOM 513 CG HIS A 33 2.672 9.667 -1.019 1.00 0.00 C ATOM 514 ND1 HIS A 33 1.633 10.069 -1.845 1.00 0.00 N ATOM 515 CD2 HIS A 33 2.079 9.066 0.064 1.00 0.00 C ATOM 516 CE1 HIS A 33 0.479 9.709 -1.251 1.00 0.00 C ATOM 517 NE2 HIS A 33 0.695 9.094 -0.084 1.00 0.00 N ATOM 0 H HIS A 33 3.102 12.180 -1.714 1.00 0.00 H new ATOM 0 HA HIS A 33 4.302 11.178 0.415 1.00 0.00 H new ATOM 0 HB2 HIS A 33 4.221 10.045 -2.445 1.00 0.00 H new ATOM 0 HB3 HIS A 33 4.715 9.037 -1.099 1.00 0.00 H new ATOM 0 HD2 HIS A 33 2.606 8.637 0.903 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -0.500 9.894 -1.667 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -0.004 8.724 0.560 1.00 0.00 H new ATOM 525 N GLU A 34 6.725 10.903 0.553 1.00 0.00 N ATOM 526 CA GLU A 34 8.212 10.906 0.672 1.00 0.00 C ATOM 527 C GLU A 34 8.830 9.785 -0.164 1.00 0.00 C ATOM 528 O GLU A 34 9.452 10.025 -1.179 1.00 0.00 O ATOM 529 CB GLU A 34 8.483 10.670 2.156 1.00 0.00 C ATOM 530 CG GLU A 34 9.621 11.583 2.621 1.00 0.00 C ATOM 531 CD GLU A 34 10.607 10.777 3.470 1.00 0.00 C ATOM 532 OE1 GLU A 34 10.691 9.577 3.266 1.00 0.00 O ATOM 533 OE2 GLU A 34 11.260 11.373 4.310 1.00 0.00 O ATOM 0 H GLU A 34 6.224 10.693 1.416 1.00 0.00 H new ATOM 0 HA GLU A 34 8.647 11.838 0.310 1.00 0.00 H new ATOM 0 HB2 GLU A 34 7.583 10.870 2.737 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.748 9.626 2.326 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.133 12.012 1.759 1.00 0.00 H new ATOM 0 HG3 GLU A 34 9.221 12.415 3.201 1.00 0.00 H new ATOM 540 N VAL A 35 8.669 8.562 0.255 1.00 0.00 N ATOM 541 CA VAL A 35 9.255 7.432 -0.517 1.00 0.00 C ATOM 542 C VAL A 35 8.391 6.188 -0.352 1.00 0.00 C ATOM 543 O VAL A 35 8.206 5.683 0.738 1.00 0.00 O ATOM 544 CB VAL A 35 10.643 7.212 0.078 1.00 0.00 C ATOM 545 CG1 VAL A 35 11.454 6.300 -0.843 1.00 0.00 C ATOM 546 CG2 VAL A 35 11.356 8.558 0.209 1.00 0.00 C ATOM 0 H VAL A 35 8.158 8.296 1.097 1.00 0.00 H new ATOM 0 HA VAL A 35 9.309 7.644 -1.585 1.00 0.00 H new ATOM 0 HB VAL A 35 10.548 6.748 1.060 1.00 0.00 H new ATOM 0 HG11 VAL A 35 12.445 6.143 -0.418 1.00 0.00 H new ATOM 0 HG12 VAL A 35 10.946 5.341 -0.944 1.00 0.00 H new ATOM 0 HG13 VAL A 35 11.549 6.765 -1.824 1.00 0.00 H new ATOM 0 HG21 VAL A 35 12.348 8.404 0.634 1.00 0.00 H new ATOM 0 HG22 VAL A 35 11.450 9.017 -0.775 1.00 0.00 H new ATOM 0 HG23 VAL A 35 10.779 9.213 0.862 1.00 0.00 H new ATOM 556 N ALA A 36 7.852 5.702 -1.427 1.00 0.00 N ATOM 557 CA ALA A 36 6.989 4.507 -1.356 1.00 0.00 C ATOM 558 C ALA A 36 7.745 3.274 -1.850 1.00 0.00 C ATOM 559 O ALA A 36 8.928 3.324 -2.120 1.00 0.00 O ATOM 560 CB ALA A 36 5.829 4.831 -2.291 1.00 0.00 C ATOM 0 H ALA A 36 7.976 6.089 -2.363 1.00 0.00 H new ATOM 0 HA ALA A 36 6.660 4.285 -0.341 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.129 3.996 -2.305 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.318 5.727 -1.939 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.210 5.002 -3.298 1.00 0.00 H new ATOM 566 N ALA A 37 7.064 2.171 -1.986 1.00 0.00 N ATOM 567 CA ALA A 37 7.735 0.937 -2.481 1.00 0.00 C ATOM 568 C ALA A 37 6.977 0.413 -3.701 1.00 0.00 C ATOM 569 O ALA A 37 5.790 0.615 -3.827 1.00 0.00 O ATOM 570 CB ALA A 37 7.658 -0.054 -1.320 1.00 0.00 C ATOM 0 H ALA A 37 6.071 2.070 -1.776 1.00 0.00 H new ATOM 0 HA ALA A 37 8.768 1.105 -2.786 1.00 0.00 H new ATOM 0 HB1 ALA A 37 8.133 -0.991 -1.609 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.172 0.361 -0.453 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.614 -0.239 -1.069 1.00 0.00 H new ATOM 576 N THR A 38 7.650 -0.237 -4.608 1.00 0.00 N ATOM 577 CA THR A 38 6.950 -0.741 -5.826 1.00 0.00 C ATOM 578 C THR A 38 7.336 -2.193 -6.125 1.00 0.00 C ATOM 579 O THR A 38 8.444 -2.625 -5.874 1.00 0.00 O ATOM 580 CB THR A 38 7.405 0.171 -6.979 1.00 0.00 C ATOM 581 OG1 THR A 38 8.550 -0.395 -7.601 1.00 0.00 O ATOM 582 CG2 THR A 38 7.751 1.571 -6.459 1.00 0.00 C ATOM 0 H THR A 38 8.648 -0.441 -4.561 1.00 0.00 H new ATOM 0 HA THR A 38 5.869 -0.722 -5.690 1.00 0.00 H new ATOM 0 HB THR A 38 6.591 0.257 -7.699 1.00 0.00 H new ATOM 0 HG1 THR A 38 8.842 0.183 -8.337 1.00 0.00 H new ATOM 0 HG21 THR A 38 8.070 2.199 -7.290 1.00 0.00 H new ATOM 0 HG22 THR A 38 6.872 2.012 -5.988 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.557 1.499 -5.729 1.00 0.00 H new ATOM 590 N ALA A 39 6.416 -2.940 -6.668 1.00 0.00 N ATOM 591 CA ALA A 39 6.684 -4.372 -7.008 1.00 0.00 C ATOM 592 C ALA A 39 6.742 -5.205 -5.737 1.00 0.00 C ATOM 593 O ALA A 39 6.733 -4.677 -4.653 1.00 0.00 O ATOM 594 CB ALA A 39 8.037 -4.383 -7.707 1.00 0.00 C ATOM 0 H ALA A 39 5.475 -2.617 -6.895 1.00 0.00 H new ATOM 0 HA ALA A 39 5.902 -4.793 -7.640 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.295 -5.405 -7.984 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.988 -3.765 -8.604 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.797 -3.987 -7.034 1.00 0.00 H new ATOM 600 N SER A 40 6.792 -6.500 -5.849 1.00 0.00 N ATOM 601 CA SER A 40 6.843 -7.327 -4.615 1.00 0.00 C ATOM 602 C SER A 40 8.269 -7.777 -4.323 1.00 0.00 C ATOM 603 O SER A 40 8.895 -8.479 -5.094 1.00 0.00 O ATOM 604 CB SER A 40 5.912 -8.504 -4.866 1.00 0.00 C ATOM 605 OG SER A 40 6.558 -9.460 -5.696 1.00 0.00 O ATOM 0 H SER A 40 6.800 -7.017 -6.729 1.00 0.00 H new ATOM 0 HA SER A 40 6.526 -6.766 -3.736 1.00 0.00 H new ATOM 0 HB2 SER A 40 5.628 -8.963 -3.919 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.994 -8.158 -5.340 1.00 0.00 H new ATOM 0 HG SER A 40 7.445 -9.128 -5.949 1.00 0.00 H new ATOM 611 N ARG A 41 8.781 -7.352 -3.202 1.00 0.00 N ATOM 612 CA ARG A 41 10.161 -7.706 -2.813 1.00 0.00 C ATOM 613 C ARG A 41 10.216 -8.011 -1.314 1.00 0.00 C ATOM 614 O ARG A 41 9.940 -7.164 -0.489 1.00 0.00 O ATOM 615 CB ARG A 41 10.971 -6.454 -3.136 1.00 0.00 C ATOM 616 CG ARG A 41 12.446 -6.820 -3.282 1.00 0.00 C ATOM 617 CD ARG A 41 12.642 -7.580 -4.592 1.00 0.00 C ATOM 618 NE ARG A 41 13.675 -8.607 -4.283 1.00 0.00 N ATOM 619 CZ ARG A 41 13.833 -9.635 -5.070 1.00 0.00 C ATOM 620 NH1 ARG A 41 14.045 -9.453 -6.345 1.00 0.00 N ATOM 621 NH2 ARG A 41 13.784 -10.845 -4.581 1.00 0.00 N ATOM 0 H ARG A 41 8.287 -6.764 -2.531 1.00 0.00 H new ATOM 0 HA ARG A 41 10.538 -8.589 -3.330 1.00 0.00 H new ATOM 0 HB2 ARG A 41 10.606 -6.000 -4.057 1.00 0.00 H new ATOM 0 HB3 ARG A 41 10.846 -5.714 -2.345 1.00 0.00 H new ATOM 0 HG2 ARG A 41 13.060 -5.919 -3.274 1.00 0.00 H new ATOM 0 HG3 ARG A 41 12.767 -7.433 -2.440 1.00 0.00 H new ATOM 0 HD2 ARG A 41 11.712 -8.041 -4.925 1.00 0.00 H new ATOM 0 HD3 ARG A 41 12.971 -6.915 -5.390 1.00 0.00 H new ATOM 0 HE ARG A 41 14.260 -8.506 -3.454 1.00 0.00 H new ATOM 0 HH11 ARG A 41 14.087 -8.507 -6.725 1.00 0.00 H new ATOM 0 HH12 ARG A 41 14.169 -10.256 -6.961 1.00 0.00 H new ATOM 0 HH21 ARG A 41 13.622 -10.986 -3.584 1.00 0.00 H new ATOM 0 HH22 ARG A 41 13.908 -11.649 -5.196 1.00 0.00 H new ATOM 635 N MET A 42 10.565 -9.212 -0.956 1.00 0.00 N ATOM 636 CA MET A 42 10.627 -9.570 0.489 1.00 0.00 C ATOM 637 C MET A 42 11.508 -8.576 1.256 1.00 0.00 C ATOM 638 O MET A 42 11.229 -8.238 2.389 1.00 0.00 O ATOM 639 CB MET A 42 11.230 -10.970 0.511 1.00 0.00 C ATOM 640 CG MET A 42 10.371 -11.895 -0.356 1.00 0.00 C ATOM 641 SD MET A 42 10.130 -13.473 0.497 1.00 0.00 S ATOM 642 CE MET A 42 10.491 -14.548 -0.912 1.00 0.00 C ATOM 0 H MET A 42 10.811 -9.963 -1.601 1.00 0.00 H new ATOM 0 HA MET A 42 9.649 -9.538 0.969 1.00 0.00 H new ATOM 0 HB2 MET A 42 12.253 -10.945 0.136 1.00 0.00 H new ATOM 0 HB3 MET A 42 11.274 -11.345 1.533 1.00 0.00 H new ATOM 0 HG2 MET A 42 9.407 -11.429 -0.559 1.00 0.00 H new ATOM 0 HG3 MET A 42 10.854 -12.060 -1.319 1.00 0.00 H new ATOM 0 HE1 MET A 42 10.400 -15.590 -0.607 1.00 0.00 H new ATOM 0 HE2 MET A 42 9.785 -14.342 -1.717 1.00 0.00 H new ATOM 0 HE3 MET A 42 11.506 -14.360 -1.263 1.00 0.00 H new ATOM 652 N GLN A 43 12.563 -8.100 0.653 1.00 0.00 N ATOM 653 CA GLN A 43 13.445 -7.124 1.357 1.00 0.00 C ATOM 654 C GLN A 43 12.664 -5.838 1.647 1.00 0.00 C ATOM 655 O GLN A 43 12.728 -5.294 2.732 1.00 0.00 O ATOM 656 CB GLN A 43 14.595 -6.851 0.385 1.00 0.00 C ATOM 657 CG GLN A 43 15.431 -5.675 0.896 1.00 0.00 C ATOM 658 CD GLN A 43 15.180 -4.449 0.015 1.00 0.00 C ATOM 659 OE1 GLN A 43 14.386 -3.595 0.355 1.00 0.00 O ATOM 660 NE2 GLN A 43 15.830 -4.323 -1.112 1.00 0.00 N ATOM 0 H GLN A 43 12.853 -8.343 -0.294 1.00 0.00 H new ATOM 0 HA GLN A 43 13.809 -7.502 2.312 1.00 0.00 H new ATOM 0 HB2 GLN A 43 15.220 -7.739 0.286 1.00 0.00 H new ATOM 0 HB3 GLN A 43 14.201 -6.627 -0.606 1.00 0.00 H new ATOM 0 HG2 GLN A 43 15.170 -5.452 1.931 1.00 0.00 H new ATOM 0 HG3 GLN A 43 16.490 -5.935 0.883 1.00 0.00 H new ATOM 0 HE21 GLN A 43 16.497 -5.039 -1.399 1.00 0.00 H new ATOM 0 HE22 GLN A 43 15.670 -3.508 -1.705 1.00 0.00 H new ATOM 669 N GLU A 44 11.922 -5.353 0.687 1.00 0.00 N ATOM 670 CA GLU A 44 11.134 -4.110 0.912 1.00 0.00 C ATOM 671 C GLU A 44 9.972 -4.393 1.864 1.00 0.00 C ATOM 672 O GLU A 44 9.734 -3.658 2.800 1.00 0.00 O ATOM 673 CB GLU A 44 10.606 -3.709 -0.465 1.00 0.00 C ATOM 674 CG GLU A 44 11.709 -2.993 -1.243 1.00 0.00 C ATOM 675 CD GLU A 44 11.158 -1.698 -1.841 1.00 0.00 C ATOM 676 OE1 GLU A 44 11.126 -0.708 -1.130 1.00 0.00 O ATOM 677 OE2 GLU A 44 10.778 -1.719 -3.001 1.00 0.00 O ATOM 0 H GLU A 44 11.829 -5.765 -0.242 1.00 0.00 H new ATOM 0 HA GLU A 44 11.736 -3.319 1.360 1.00 0.00 H new ATOM 0 HB2 GLU A 44 10.275 -4.592 -1.011 1.00 0.00 H new ATOM 0 HB3 GLU A 44 9.739 -3.057 -0.358 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.548 -2.772 -0.584 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.087 -3.639 -2.035 1.00 0.00 H new ATOM 684 N ALA A 45 9.247 -5.458 1.640 1.00 0.00 N ATOM 685 CA ALA A 45 8.109 -5.777 2.547 1.00 0.00 C ATOM 686 C ALA A 45 8.559 -5.582 3.994 1.00 0.00 C ATOM 687 O ALA A 45 7.820 -5.106 4.834 1.00 0.00 O ATOM 688 CB ALA A 45 7.771 -7.243 2.270 1.00 0.00 C ATOM 0 H ALA A 45 9.393 -6.115 0.874 1.00 0.00 H new ATOM 0 HA ALA A 45 7.241 -5.138 2.384 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.939 -7.551 2.904 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.492 -7.361 1.223 1.00 0.00 H new ATOM 0 HB3 ALA A 45 8.640 -7.864 2.486 1.00 0.00 H new ATOM 694 N LEU A 46 9.784 -5.927 4.275 1.00 0.00 N ATOM 695 CA LEU A 46 10.325 -5.750 5.647 1.00 0.00 C ATOM 696 C LEU A 46 10.366 -4.260 5.983 1.00 0.00 C ATOM 697 O LEU A 46 10.088 -3.847 7.091 1.00 0.00 O ATOM 698 CB LEU A 46 11.741 -6.318 5.565 1.00 0.00 C ATOM 699 CG LEU A 46 12.540 -5.914 6.802 1.00 0.00 C ATOM 700 CD1 LEU A 46 13.507 -7.040 7.172 1.00 0.00 C ATOM 701 CD2 LEU A 46 13.333 -4.643 6.494 1.00 0.00 C ATOM 0 H LEU A 46 10.439 -6.328 3.604 1.00 0.00 H new ATOM 0 HA LEU A 46 9.727 -6.241 6.415 1.00 0.00 H new ATOM 0 HB2 LEU A 46 11.702 -7.404 5.487 1.00 0.00 H new ATOM 0 HB3 LEU A 46 12.237 -5.951 4.666 1.00 0.00 H new ATOM 0 HG LEU A 46 11.861 -5.730 7.635 1.00 0.00 H new ATOM 0 HD11 LEU A 46 14.078 -6.753 8.055 1.00 0.00 H new ATOM 0 HD12 LEU A 46 12.943 -7.949 7.384 1.00 0.00 H new ATOM 0 HD13 LEU A 46 14.189 -7.221 6.341 1.00 0.00 H new ATOM 0 HD21 LEU A 46 13.906 -4.349 7.374 1.00 0.00 H new ATOM 0 HD22 LEU A 46 14.014 -4.831 5.664 1.00 0.00 H new ATOM 0 HD23 LEU A 46 12.645 -3.841 6.225 1.00 0.00 H new ATOM 713 N ASP A 47 10.717 -3.455 5.017 1.00 0.00 N ATOM 714 CA ASP A 47 10.789 -1.984 5.245 1.00 0.00 C ATOM 715 C ASP A 47 9.411 -1.427 5.617 1.00 0.00 C ATOM 716 O ASP A 47 9.307 -0.366 6.182 1.00 0.00 O ATOM 717 CB ASP A 47 11.259 -1.393 3.914 1.00 0.00 C ATOM 718 CG ASP A 47 12.766 -1.603 3.760 1.00 0.00 C ATOM 719 OD1 ASP A 47 13.266 -2.582 4.289 1.00 0.00 O ATOM 720 OD2 ASP A 47 13.395 -0.780 3.115 1.00 0.00 O ATOM 0 H ASP A 47 10.959 -3.756 4.073 1.00 0.00 H new ATOM 0 HA ASP A 47 11.462 -1.735 6.065 1.00 0.00 H new ATOM 0 HB2 ASP A 47 10.730 -1.867 3.087 1.00 0.00 H new ATOM 0 HB3 ASP A 47 11.024 -0.329 3.874 1.00 0.00 H new ATOM 725 N ILE A 48 8.356 -2.129 5.300 1.00 0.00 N ATOM 726 CA ILE A 48 6.987 -1.639 5.646 1.00 0.00 C ATOM 727 C ILE A 48 6.482 -2.385 6.888 1.00 0.00 C ATOM 728 O ILE A 48 5.454 -2.064 7.442 1.00 0.00 O ATOM 729 CB ILE A 48 6.095 -1.921 4.402 1.00 0.00 C ATOM 730 CG1 ILE A 48 5.205 -3.157 4.630 1.00 0.00 C ATOM 731 CG2 ILE A 48 6.965 -2.154 3.163 1.00 0.00 C ATOM 732 CD1 ILE A 48 4.648 -3.662 3.294 1.00 0.00 C ATOM 0 H ILE A 48 8.382 -3.025 4.814 1.00 0.00 H new ATOM 0 HA ILE A 48 6.972 -0.575 5.883 1.00 0.00 H new ATOM 0 HB ILE A 48 5.460 -1.049 4.246 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.782 -3.946 5.113 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.385 -2.905 5.302 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.326 -2.350 2.302 1.00 0.00 H new ATOM 0 HG22 ILE A 48 7.571 -1.268 2.972 1.00 0.00 H new ATOM 0 HG23 ILE A 48 7.618 -3.010 3.333 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.020 -4.536 3.468 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.054 -2.876 2.827 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.473 -3.933 2.635 1.00 0.00 H new ATOM 744 N ALA A 49 7.189 -3.400 7.304 1.00 0.00 N ATOM 745 CA ALA A 49 6.745 -4.201 8.477 1.00 0.00 C ATOM 746 C ALA A 49 7.244 -3.626 9.808 1.00 0.00 C ATOM 747 O ALA A 49 6.466 -3.250 10.662 1.00 0.00 O ATOM 748 CB ALA A 49 7.358 -5.580 8.243 1.00 0.00 C ATOM 0 H ALA A 49 8.062 -3.710 6.877 1.00 0.00 H new ATOM 0 HA ALA A 49 5.658 -4.212 8.555 1.00 0.00 H new ATOM 0 HB1 ALA A 49 7.083 -6.244 9.063 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.985 -5.989 7.304 1.00 0.00 H new ATOM 0 HB3 ALA A 49 8.443 -5.492 8.195 1.00 0.00 H new ATOM 754 N ARG A 50 8.531 -3.597 10.007 1.00 0.00 N ATOM 755 CA ARG A 50 9.083 -3.095 11.300 1.00 0.00 C ATOM 756 C ARG A 50 8.733 -1.623 11.534 1.00 0.00 C ATOM 757 O ARG A 50 8.831 -1.128 12.639 1.00 0.00 O ATOM 758 CB ARG A 50 10.594 -3.279 11.181 1.00 0.00 C ATOM 759 CG ARG A 50 10.932 -4.764 11.328 1.00 0.00 C ATOM 760 CD ARG A 50 10.730 -5.471 9.985 1.00 0.00 C ATOM 761 NE ARG A 50 11.741 -6.564 9.969 1.00 0.00 N ATOM 762 CZ ARG A 50 13.005 -6.282 10.128 1.00 0.00 C ATOM 763 NH1 ARG A 50 13.445 -5.087 9.849 1.00 0.00 N ATOM 764 NH2 ARG A 50 13.827 -7.193 10.573 1.00 0.00 N ATOM 0 H ARG A 50 9.229 -3.900 9.328 1.00 0.00 H new ATOM 0 HA ARG A 50 8.664 -3.636 12.148 1.00 0.00 H new ATOM 0 HB2 ARG A 50 10.943 -2.908 10.217 1.00 0.00 H new ATOM 0 HB3 ARG A 50 11.105 -2.699 11.950 1.00 0.00 H new ATOM 0 HG2 ARG A 50 11.963 -4.882 11.661 1.00 0.00 H new ATOM 0 HG3 ARG A 50 10.297 -5.218 12.089 1.00 0.00 H new ATOM 0 HD2 ARG A 50 9.719 -5.868 9.896 1.00 0.00 H new ATOM 0 HD3 ARG A 50 10.878 -4.784 9.151 1.00 0.00 H new ATOM 0 HE ARG A 50 11.446 -7.531 9.834 1.00 0.00 H new ATOM 0 HH11 ARG A 50 12.801 -4.374 9.507 1.00 0.00 H new ATOM 0 HH12 ARG A 50 14.433 -4.865 9.973 1.00 0.00 H new ATOM 0 HH21 ARG A 50 13.481 -8.126 10.797 1.00 0.00 H new ATOM 0 HH22 ARG A 50 14.815 -6.972 10.697 1.00 0.00 H new ATOM 778 N LYS A 51 8.330 -0.911 10.519 1.00 0.00 N ATOM 779 CA LYS A 51 7.989 0.526 10.734 1.00 0.00 C ATOM 780 C LYS A 51 6.894 0.652 11.786 1.00 0.00 C ATOM 781 O LYS A 51 7.020 1.387 12.743 1.00 0.00 O ATOM 782 CB LYS A 51 7.455 1.048 9.399 1.00 0.00 C ATOM 783 CG LYS A 51 8.320 0.556 8.246 1.00 0.00 C ATOM 784 CD LYS A 51 9.807 0.676 8.611 1.00 0.00 C ATOM 785 CE LYS A 51 10.204 2.152 8.662 1.00 0.00 C ATOM 786 NZ LYS A 51 10.696 2.463 7.291 1.00 0.00 N ATOM 0 H LYS A 51 8.223 -1.253 9.564 1.00 0.00 H new ATOM 0 HA LYS A 51 8.861 1.086 11.073 1.00 0.00 H new ATOM 0 HB2 LYS A 51 6.427 0.715 9.257 1.00 0.00 H new ATOM 0 HB3 LYS A 51 7.438 2.138 9.409 1.00 0.00 H new ATOM 0 HG2 LYS A 51 8.077 -0.481 8.016 1.00 0.00 H new ATOM 0 HG3 LYS A 51 8.110 1.139 7.349 1.00 0.00 H new ATOM 0 HD2 LYS A 51 9.994 0.205 9.576 1.00 0.00 H new ATOM 0 HD3 LYS A 51 10.416 0.150 7.876 1.00 0.00 H new ATOM 0 HE2 LYS A 51 9.355 2.781 8.929 1.00 0.00 H new ATOM 0 HE3 LYS A 51 10.978 2.328 9.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 10.988 3.460 7.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 11.508 1.854 7.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 9.935 2.293 6.602 1.00 0.00 H new ATOM 800 N GLY A 52 5.810 -0.051 11.605 1.00 0.00 N ATOM 801 CA GLY A 52 4.694 0.042 12.582 1.00 0.00 C ATOM 802 C GLY A 52 4.097 1.452 12.527 1.00 0.00 C ATOM 803 O GLY A 52 3.266 1.815 13.336 1.00 0.00 O ATOM 0 H GLY A 52 5.651 -0.685 10.822 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.929 -0.700 12.351 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.055 -0.175 13.587 1.00 0.00 H new ATOM 807 N GLN A 53 4.518 2.253 11.579 1.00 0.00 N ATOM 808 CA GLN A 53 3.976 3.645 11.476 1.00 0.00 C ATOM 809 C GLN A 53 3.746 4.034 10.010 1.00 0.00 C ATOM 810 O GLN A 53 2.992 4.945 9.726 1.00 0.00 O ATOM 811 CB GLN A 53 5.026 4.594 12.091 1.00 0.00 C ATOM 812 CG GLN A 53 6.155 3.816 12.770 1.00 0.00 C ATOM 813 CD GLN A 53 6.822 4.695 13.830 1.00 0.00 C ATOM 814 OE1 GLN A 53 8.006 4.958 13.760 1.00 0.00 O ATOM 815 NE2 GLN A 53 6.108 5.163 14.818 1.00 0.00 N ATOM 0 H GLN A 53 5.212 2.005 10.874 1.00 0.00 H new ATOM 0 HA GLN A 53 3.021 3.710 11.998 1.00 0.00 H new ATOM 0 HB2 GLN A 53 5.441 5.234 11.312 1.00 0.00 H new ATOM 0 HB3 GLN A 53 4.545 5.248 12.818 1.00 0.00 H new ATOM 0 HG2 GLN A 53 5.760 2.911 13.231 1.00 0.00 H new ATOM 0 HG3 GLN A 53 6.890 3.502 12.029 1.00 0.00 H new ATOM 0 HE21 GLN A 53 5.114 4.943 14.878 1.00 0.00 H new ATOM 0 HE22 GLN A 53 6.544 5.749 15.530 1.00 0.00 H new ATOM 824 N PHE A 54 4.397 3.379 9.075 1.00 0.00 N ATOM 825 CA PHE A 54 4.201 3.760 7.648 1.00 0.00 C ATOM 826 C PHE A 54 2.716 4.016 7.388 1.00 0.00 C ATOM 827 O PHE A 54 1.863 3.585 8.139 1.00 0.00 O ATOM 828 CB PHE A 54 4.745 2.593 6.809 1.00 0.00 C ATOM 829 CG PHE A 54 3.781 1.431 6.815 1.00 0.00 C ATOM 830 CD1 PHE A 54 2.562 1.522 6.133 1.00 0.00 C ATOM 831 CD2 PHE A 54 4.112 0.257 7.499 1.00 0.00 C ATOM 832 CE1 PHE A 54 1.676 0.440 6.139 1.00 0.00 C ATOM 833 CE2 PHE A 54 3.226 -0.825 7.503 1.00 0.00 C ATOM 834 CZ PHE A 54 2.007 -0.733 6.825 1.00 0.00 C ATOM 0 H PHE A 54 5.045 2.609 9.240 1.00 0.00 H new ATOM 0 HA PHE A 54 4.727 4.678 7.386 1.00 0.00 H new ATOM 0 HB2 PHE A 54 4.915 2.924 5.785 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.709 2.273 7.205 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.306 2.427 5.603 1.00 0.00 H new ATOM 0 HD2 PHE A 54 5.053 0.186 8.025 1.00 0.00 H new ATOM 0 HE1 PHE A 54 0.735 0.510 5.613 1.00 0.00 H new ATOM 0 HE2 PHE A 54 3.484 -1.732 8.030 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.321 -1.567 6.831 1.00 0.00 H new ATOM 844 N ASP A 55 2.399 4.748 6.359 1.00 0.00 N ATOM 845 CA ASP A 55 0.969 5.069 6.092 1.00 0.00 C ATOM 846 C ASP A 55 0.224 3.900 5.439 1.00 0.00 C ATOM 847 O ASP A 55 -0.836 3.516 5.890 1.00 0.00 O ATOM 848 CB ASP A 55 1.010 6.276 5.156 1.00 0.00 C ATOM 849 CG ASP A 55 0.327 7.469 5.830 1.00 0.00 C ATOM 850 OD1 ASP A 55 0.962 8.096 6.663 1.00 0.00 O ATOM 851 OD2 ASP A 55 -0.817 7.735 5.502 1.00 0.00 O ATOM 0 H ASP A 55 3.065 5.138 5.692 1.00 0.00 H new ATOM 0 HA ASP A 55 0.430 5.272 7.017 1.00 0.00 H new ATOM 0 HB2 ASP A 55 2.043 6.525 4.912 1.00 0.00 H new ATOM 0 HB3 ASP A 55 0.509 6.039 4.218 1.00 0.00 H new ATOM 856 N ILE A 56 0.731 3.338 4.373 1.00 0.00 N ATOM 857 CA ILE A 56 -0.026 2.222 3.733 1.00 0.00 C ATOM 858 C ILE A 56 0.872 1.042 3.357 1.00 0.00 C ATOM 859 O ILE A 56 2.083 1.127 3.401 1.00 0.00 O ATOM 860 CB ILE A 56 -0.650 2.848 2.493 1.00 0.00 C ATOM 861 CG1 ILE A 56 -1.574 3.995 2.953 1.00 0.00 C ATOM 862 CG2 ILE A 56 -1.420 1.762 1.731 1.00 0.00 C ATOM 863 CD1 ILE A 56 -2.759 4.170 2.000 1.00 0.00 C ATOM 0 H ILE A 56 1.612 3.594 3.927 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.766 1.803 4.415 1.00 0.00 H new ATOM 0 HB ILE A 56 0.104 3.258 1.821 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.941 3.789 3.959 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.006 4.924 3.005 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.873 2.195 0.839 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.734 0.966 1.440 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.200 1.352 2.372 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.391 4.985 2.351 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.391 4.401 1.000 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.340 3.248 1.969 1.00 0.00 H new ATOM 875 N ALA A 57 0.271 -0.077 3.010 1.00 0.00 N ATOM 876 CA ALA A 57 1.082 -1.280 2.658 1.00 0.00 C ATOM 877 C ALA A 57 0.318 -2.220 1.710 1.00 0.00 C ATOM 878 O ALA A 57 -0.514 -2.989 2.136 1.00 0.00 O ATOM 879 CB ALA A 57 1.272 -1.969 4.003 1.00 0.00 C ATOM 0 H ALA A 57 -0.740 -0.203 2.957 1.00 0.00 H new ATOM 0 HA ALA A 57 2.010 -1.019 2.149 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.861 -2.876 3.867 1.00 0.00 H new ATOM 0 HB2 ALA A 57 1.793 -1.297 4.685 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.299 -2.227 4.420 1.00 0.00 H new ATOM 885 N ILE A 58 0.623 -2.206 0.442 1.00 0.00 N ATOM 886 CA ILE A 58 -0.076 -3.124 -0.502 1.00 0.00 C ATOM 887 C ILE A 58 0.818 -4.315 -0.799 1.00 0.00 C ATOM 888 O ILE A 58 1.989 -4.171 -1.089 1.00 0.00 O ATOM 889 CB ILE A 58 -0.326 -2.299 -1.756 1.00 0.00 C ATOM 890 CG1 ILE A 58 -1.452 -1.306 -1.477 1.00 0.00 C ATOM 891 CG2 ILE A 58 -0.732 -3.222 -2.906 1.00 0.00 C ATOM 892 CD1 ILE A 58 -0.852 0.019 -1.009 1.00 0.00 C ATOM 0 H ILE A 58 1.325 -1.599 0.018 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.010 -3.515 -0.098 1.00 0.00 H new ATOM 0 HB ILE A 58 0.582 -1.763 -2.032 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.047 -1.151 -2.377 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.123 -1.704 -0.716 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.911 -2.629 -3.803 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.067 -3.938 -3.098 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.643 -3.758 -2.638 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.653 0.731 -0.809 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.276 -0.144 -0.098 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.199 0.417 -1.786 1.00 0.00 H new ATOM 904 N ILE A 59 0.278 -5.490 -0.708 1.00 0.00 N ATOM 905 CA ILE A 59 1.099 -6.702 -0.957 1.00 0.00 C ATOM 906 C ILE A 59 0.243 -7.796 -1.587 1.00 0.00 C ATOM 907 O ILE A 59 -0.245 -8.664 -0.900 1.00 0.00 O ATOM 908 CB ILE A 59 1.576 -7.196 0.418 1.00 0.00 C ATOM 909 CG1 ILE A 59 1.410 -6.121 1.510 1.00 0.00 C ATOM 910 CG2 ILE A 59 3.040 -7.587 0.314 1.00 0.00 C ATOM 911 CD1 ILE A 59 2.470 -5.035 1.339 1.00 0.00 C ATOM 0 H ILE A 59 -0.698 -5.666 -0.472 1.00 0.00 H new ATOM 0 HA ILE A 59 1.928 -6.473 -1.627 1.00 0.00 H new ATOM 0 HB ILE A 59 0.963 -8.051 0.704 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.414 -5.681 1.451 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.499 -6.576 2.496 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.392 -7.940 1.283 1.00 0.00 H new ATOM 0 HG22 ILE A 59 3.153 -8.381 -0.424 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.627 -6.721 0.008 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.345 -4.279 2.115 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.462 -5.479 1.421 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.360 -4.570 0.359 1.00 0.00 H new ATOM 923 N ASP A 60 0.055 -7.772 -2.871 1.00 0.00 N ATOM 924 CA ASP A 60 -0.784 -8.835 -3.514 1.00 0.00 C ATOM 925 C ASP A 60 -0.542 -10.195 -2.846 1.00 0.00 C ATOM 926 O ASP A 60 0.489 -10.427 -2.245 1.00 0.00 O ATOM 927 CB ASP A 60 -0.322 -8.877 -4.963 1.00 0.00 C ATOM 928 CG ASP A 60 -1.537 -8.800 -5.890 1.00 0.00 C ATOM 929 OD1 ASP A 60 -2.359 -7.923 -5.686 1.00 0.00 O ATOM 930 OD2 ASP A 60 -1.624 -9.620 -6.789 1.00 0.00 O ATOM 0 H ASP A 60 0.439 -7.072 -3.506 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.849 -8.621 -3.422 1.00 0.00 H new ATOM 0 HB2 ASP A 60 0.355 -8.047 -5.164 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.235 -9.795 -5.152 1.00 0.00 H new ATOM 935 N VAL A 61 -1.486 -11.093 -2.935 1.00 0.00 N ATOM 936 CA VAL A 61 -1.302 -12.426 -2.295 1.00 0.00 C ATOM 937 C VAL A 61 -1.670 -13.542 -3.280 1.00 0.00 C ATOM 938 O VAL A 61 -2.183 -14.576 -2.901 1.00 0.00 O ATOM 939 CB VAL A 61 -2.239 -12.412 -1.079 1.00 0.00 C ATOM 940 CG1 VAL A 61 -3.631 -12.920 -1.467 1.00 0.00 C ATOM 941 CG2 VAL A 61 -1.657 -13.307 0.017 1.00 0.00 C ATOM 0 H VAL A 61 -2.373 -10.962 -3.421 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.270 -12.612 -1.998 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.330 -11.389 -0.715 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.281 -12.903 -0.592 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.049 -12.279 -2.243 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.554 -13.940 -1.842 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.319 -13.300 0.883 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.561 -14.326 -0.358 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.675 -12.934 0.308 1.00 0.00 H new ATOM 951 N ASN A 62 -1.400 -13.342 -4.540 1.00 0.00 N ATOM 952 CA ASN A 62 -1.719 -14.388 -5.556 1.00 0.00 C ATOM 953 C ASN A 62 -0.877 -14.150 -6.808 1.00 0.00 C ATOM 954 O ASN A 62 -0.117 -14.998 -7.233 1.00 0.00 O ATOM 955 CB ASN A 62 -3.207 -14.212 -5.862 1.00 0.00 C ATOM 956 CG ASN A 62 -3.933 -15.537 -5.622 1.00 0.00 C ATOM 957 OD1 ASN A 62 -5.071 -15.553 -5.198 1.00 0.00 O ATOM 958 ND2 ASN A 62 -3.315 -16.658 -5.875 1.00 0.00 N ATOM 0 H ASN A 62 -0.970 -12.496 -4.913 1.00 0.00 H new ATOM 0 HA ASN A 62 -1.503 -15.397 -5.204 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -3.630 -13.432 -5.229 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -3.342 -13.892 -6.895 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -3.788 -17.548 -5.717 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -2.359 -16.644 -6.231 1.00 0.00 H new ATOM 965 N LEU A 63 -0.988 -12.986 -7.383 1.00 0.00 N ATOM 966 CA LEU A 63 -0.175 -12.663 -8.588 1.00 0.00 C ATOM 967 C LEU A 63 1.220 -12.256 -8.119 1.00 0.00 C ATOM 968 O LEU A 63 1.463 -11.110 -7.797 1.00 0.00 O ATOM 969 CB LEU A 63 -0.903 -11.486 -9.240 1.00 0.00 C ATOM 970 CG LEU A 63 -0.289 -11.195 -10.607 1.00 0.00 C ATOM 971 CD1 LEU A 63 -1.020 -12.010 -11.675 1.00 0.00 C ATOM 972 CD2 LEU A 63 -0.431 -9.703 -10.916 1.00 0.00 C ATOM 0 H LEU A 63 -1.610 -12.241 -7.069 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.065 -13.492 -9.287 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.963 -11.716 -9.348 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.832 -10.604 -8.603 1.00 0.00 H new ATOM 0 HG LEU A 63 0.766 -11.468 -10.602 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.583 -11.804 -12.652 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.924 -13.072 -11.451 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.075 -11.735 -11.684 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.006 -9.490 -11.892 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.487 -9.432 -10.925 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.086 -9.122 -10.152 1.00 0.00 H new ATOM 984 N ASP A 64 2.120 -13.200 -8.015 1.00 0.00 N ATOM 985 CA ASP A 64 3.499 -12.903 -7.504 1.00 0.00 C ATOM 986 C ASP A 64 3.444 -12.583 -6.003 1.00 0.00 C ATOM 987 O ASP A 64 4.309 -12.980 -5.249 1.00 0.00 O ATOM 988 CB ASP A 64 4.022 -11.701 -8.286 1.00 0.00 C ATOM 989 CG ASP A 64 5.056 -12.168 -9.313 1.00 0.00 C ATOM 990 OD1 ASP A 64 6.193 -12.383 -8.925 1.00 0.00 O ATOM 991 OD2 ASP A 64 4.693 -12.305 -10.469 1.00 0.00 O ATOM 0 H ASP A 64 1.959 -14.176 -8.264 1.00 0.00 H new ATOM 0 HA ASP A 64 4.158 -13.761 -7.638 1.00 0.00 H new ATOM 0 HB2 ASP A 64 3.198 -11.195 -8.789 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.472 -10.979 -7.605 1.00 0.00 H new ATOM 996 N GLY A 65 2.429 -11.879 -5.559 1.00 0.00 N ATOM 997 CA GLY A 65 2.313 -11.566 -4.115 1.00 0.00 C ATOM 998 C GLY A 65 1.876 -12.835 -3.381 1.00 0.00 C ATOM 999 O GLY A 65 1.941 -12.906 -2.170 1.00 0.00 O ATOM 0 H GLY A 65 1.678 -11.511 -6.143 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.268 -11.212 -3.726 1.00 0.00 H new ATOM 0 HA3 GLY A 65 1.588 -10.767 -3.957 1.00 0.00 H new ATOM 1003 N GLU A 66 1.447 -13.842 -4.123 1.00 0.00 N ATOM 1004 CA GLU A 66 1.022 -15.143 -3.504 1.00 0.00 C ATOM 1005 C GLU A 66 1.754 -15.374 -2.191 1.00 0.00 C ATOM 1006 O GLU A 66 1.136 -15.563 -1.162 1.00 0.00 O ATOM 1007 CB GLU A 66 1.390 -16.215 -4.534 1.00 0.00 C ATOM 1008 CG GLU A 66 1.416 -17.591 -3.862 1.00 0.00 C ATOM 1009 CD GLU A 66 1.570 -18.676 -4.930 1.00 0.00 C ATOM 1010 OE1 GLU A 66 2.643 -18.766 -5.503 1.00 0.00 O ATOM 1011 OE2 GLU A 66 0.612 -19.396 -5.158 1.00 0.00 O ATOM 0 H GLU A 66 1.374 -13.813 -5.140 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.042 -15.158 -3.269 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.667 -16.212 -5.350 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.364 -15.994 -4.970 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.241 -17.645 -3.151 1.00 0.00 H new ATOM 0 HG3 GLU A 66 0.497 -17.749 -3.297 1.00 0.00 H new ATOM 1018 N PRO A 67 3.046 -15.301 -2.259 1.00 0.00 N ATOM 1019 CA PRO A 67 3.873 -15.451 -1.044 1.00 0.00 C ATOM 1020 C PRO A 67 3.434 -14.434 0.013 1.00 0.00 C ATOM 1021 O PRO A 67 2.961 -14.797 1.072 1.00 0.00 O ATOM 1022 CB PRO A 67 5.290 -15.188 -1.568 1.00 0.00 C ATOM 1023 CG PRO A 67 5.082 -14.427 -2.834 1.00 0.00 C ATOM 1024 CD PRO A 67 3.876 -15.068 -3.442 1.00 0.00 C ATOM 0 HA PRO A 67 3.793 -16.421 -0.554 1.00 0.00 H new ATOM 0 HB2 PRO A 67 5.878 -14.615 -0.852 1.00 0.00 H new ATOM 0 HB3 PRO A 67 5.826 -16.120 -1.748 1.00 0.00 H new ATOM 0 HG2 PRO A 67 4.917 -13.367 -2.641 1.00 0.00 H new ATOM 0 HG3 PRO A 67 5.948 -14.500 -3.492 1.00 0.00 H new ATOM 0 HD2 PRO A 67 3.386 -14.417 -4.166 1.00 0.00 H new ATOM 0 HD3 PRO A 67 4.121 -15.995 -3.961 1.00 0.00 H new ATOM 1032 N SER A 68 3.563 -13.166 -0.266 1.00 0.00 N ATOM 1033 CA SER A 68 3.126 -12.132 0.724 1.00 0.00 C ATOM 1034 C SER A 68 3.857 -12.288 2.071 1.00 0.00 C ATOM 1035 O SER A 68 3.563 -11.595 3.031 1.00 0.00 O ATOM 1036 CB SER A 68 1.629 -12.392 0.897 1.00 0.00 C ATOM 1037 OG SER A 68 1.026 -11.279 1.539 1.00 0.00 O ATOM 0 H SER A 68 3.951 -12.798 -1.135 1.00 0.00 H new ATOM 0 HA SER A 68 3.349 -11.122 0.382 1.00 0.00 H new ATOM 0 HB2 SER A 68 1.164 -12.561 -0.074 1.00 0.00 H new ATOM 0 HB3 SER A 68 1.472 -13.295 1.487 1.00 0.00 H new ATOM 0 HG SER A 68 0.107 -11.506 1.792 1.00 0.00 H new ATOM 1043 N TYR A 69 4.814 -13.176 2.153 1.00 0.00 N ATOM 1044 CA TYR A 69 5.559 -13.372 3.435 1.00 0.00 C ATOM 1045 C TYR A 69 4.581 -13.541 4.602 1.00 0.00 C ATOM 1046 O TYR A 69 3.382 -13.352 4.464 1.00 0.00 O ATOM 1047 CB TYR A 69 6.431 -12.118 3.660 1.00 0.00 C ATOM 1048 CG TYR A 69 6.359 -11.179 2.478 1.00 0.00 C ATOM 1049 CD1 TYR A 69 7.083 -11.462 1.317 1.00 0.00 C ATOM 1050 CD2 TYR A 69 5.562 -10.031 2.542 1.00 0.00 C ATOM 1051 CE1 TYR A 69 7.010 -10.597 0.223 1.00 0.00 C ATOM 1052 CE2 TYR A 69 5.488 -9.169 1.452 1.00 0.00 C ATOM 1053 CZ TYR A 69 6.212 -9.449 0.288 1.00 0.00 C ATOM 1054 OH TYR A 69 6.139 -8.595 -0.795 1.00 0.00 O ATOM 0 H TYR A 69 5.113 -13.777 1.385 1.00 0.00 H new ATOM 0 HA TYR A 69 6.175 -14.270 3.381 1.00 0.00 H new ATOM 0 HB2 TYR A 69 6.100 -11.599 4.560 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.466 -12.417 3.827 1.00 0.00 H new ATOM 0 HD1 TYR A 69 7.698 -12.348 1.266 1.00 0.00 H new ATOM 0 HD2 TYR A 69 5.003 -9.813 3.440 1.00 0.00 H new ATOM 0 HE1 TYR A 69 7.570 -10.814 -0.674 1.00 0.00 H new ATOM 0 HE2 TYR A 69 4.872 -8.284 1.505 1.00 0.00 H new ATOM 0 HH TYR A 69 6.267 -9.104 -1.622 1.00 0.00 H new ATOM 1064 N PRO A 70 5.141 -13.878 5.729 1.00 0.00 N ATOM 1065 CA PRO A 70 4.332 -14.068 6.950 1.00 0.00 C ATOM 1066 C PRO A 70 3.857 -12.712 7.473 1.00 0.00 C ATOM 1067 O PRO A 70 3.199 -12.627 8.491 1.00 0.00 O ATOM 1068 CB PRO A 70 5.303 -14.723 7.927 1.00 0.00 C ATOM 1069 CG PRO A 70 6.661 -14.308 7.458 1.00 0.00 C ATOM 1070 CD PRO A 70 6.570 -14.107 5.968 1.00 0.00 C ATOM 0 HA PRO A 70 3.437 -14.669 6.790 1.00 0.00 H new ATOM 0 HB2 PRO A 70 5.119 -14.391 8.949 1.00 0.00 H new ATOM 0 HB3 PRO A 70 5.198 -15.808 7.921 1.00 0.00 H new ATOM 0 HG2 PRO A 70 6.976 -13.389 7.953 1.00 0.00 H new ATOM 0 HG3 PRO A 70 7.402 -15.070 7.700 1.00 0.00 H new ATOM 0 HD2 PRO A 70 7.171 -13.258 5.642 1.00 0.00 H new ATOM 0 HD3 PRO A 70 6.931 -14.980 5.424 1.00 0.00 H new ATOM 1078 N VAL A 71 4.183 -11.647 6.785 1.00 0.00 N ATOM 1079 CA VAL A 71 3.736 -10.313 7.262 1.00 0.00 C ATOM 1080 C VAL A 71 2.467 -9.868 6.530 1.00 0.00 C ATOM 1081 O VAL A 71 1.423 -9.853 7.127 1.00 0.00 O ATOM 1082 CB VAL A 71 4.902 -9.332 7.061 1.00 0.00 C ATOM 1083 CG1 VAL A 71 5.841 -9.413 8.266 1.00 0.00 C ATOM 1084 CG2 VAL A 71 5.686 -9.679 5.798 1.00 0.00 C ATOM 0 H VAL A 71 4.732 -11.647 5.925 1.00 0.00 H new ATOM 0 HA VAL A 71 3.474 -10.348 8.319 1.00 0.00 H new ATOM 0 HB VAL A 71 4.498 -8.325 6.961 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.670 -8.719 8.128 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.294 -9.150 9.172 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.229 -10.428 8.358 1.00 0.00 H new ATOM 0 HG21 VAL A 71 6.507 -8.973 5.674 1.00 0.00 H new ATOM 0 HG22 VAL A 71 6.086 -10.689 5.884 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.025 -9.623 4.933 1.00 0.00 H new ATOM 1094 N ALA A 72 2.506 -9.536 5.252 1.00 0.00 N ATOM 1095 CA ALA A 72 1.226 -9.147 4.573 1.00 0.00 C ATOM 1096 C ALA A 72 0.158 -10.131 5.012 1.00 0.00 C ATOM 1097 O ALA A 72 -1.002 -9.804 5.172 1.00 0.00 O ATOM 1098 CB ALA A 72 1.504 -9.303 3.094 1.00 0.00 C ATOM 0 H ALA A 72 3.343 -9.518 4.669 1.00 0.00 H new ATOM 0 HA ALA A 72 0.893 -8.136 4.809 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.613 -9.036 2.526 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.326 -8.648 2.807 1.00 0.00 H new ATOM 0 HB3 ALA A 72 1.773 -10.338 2.882 1.00 0.00 H new ATOM 1104 N ASP A 73 0.581 -11.336 5.255 1.00 0.00 N ATOM 1105 CA ASP A 73 -0.350 -12.372 5.741 1.00 0.00 C ATOM 1106 C ASP A 73 -0.861 -11.957 7.113 1.00 0.00 C ATOM 1107 O ASP A 73 -2.047 -11.895 7.373 1.00 0.00 O ATOM 1108 CB ASP A 73 0.536 -13.588 5.889 1.00 0.00 C ATOM 1109 CG ASP A 73 0.631 -14.332 4.556 1.00 0.00 C ATOM 1110 OD1 ASP A 73 0.688 -13.669 3.533 1.00 0.00 O ATOM 1111 OD2 ASP A 73 0.646 -15.551 4.581 1.00 0.00 O ATOM 0 H ASP A 73 1.545 -11.646 5.134 1.00 0.00 H new ATOM 0 HA ASP A 73 -1.208 -12.538 5.089 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.530 -13.286 6.218 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.134 -14.250 6.656 1.00 0.00 H new ATOM 1116 N ILE A 74 0.060 -11.661 7.985 1.00 0.00 N ATOM 1117 CA ILE A 74 -0.307 -11.226 9.360 1.00 0.00 C ATOM 1118 C ILE A 74 -0.942 -9.845 9.274 1.00 0.00 C ATOM 1119 O ILE A 74 -1.965 -9.573 9.870 1.00 0.00 O ATOM 1120 CB ILE A 74 1.013 -11.171 10.136 1.00 0.00 C ATOM 1121 CG1 ILE A 74 1.411 -12.584 10.573 1.00 0.00 C ATOM 1122 CG2 ILE A 74 0.843 -10.289 11.375 1.00 0.00 C ATOM 1123 CD1 ILE A 74 2.702 -12.523 11.392 1.00 0.00 C ATOM 0 H ILE A 74 1.063 -11.702 7.802 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.017 -11.895 9.847 1.00 0.00 H new ATOM 0 HB ILE A 74 1.790 -10.755 9.495 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.613 -13.031 11.166 1.00 0.00 H new ATOM 0 HG13 ILE A 74 1.553 -13.220 9.699 1.00 0.00 H new ATOM 0 HG21 ILE A 74 1.783 -10.251 11.926 1.00 0.00 H new ATOM 0 HG22 ILE A 74 0.561 -9.282 11.069 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.064 -10.705 12.014 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.984 -13.529 11.702 1.00 0.00 H new ATOM 0 HD12 ILE A 74 3.499 -12.094 10.784 1.00 0.00 H new ATOM 0 HD13 ILE A 74 2.544 -11.902 12.274 1.00 0.00 H new ATOM 1135 N LEU A 75 -0.347 -8.984 8.498 1.00 0.00 N ATOM 1136 CA LEU A 75 -0.900 -7.626 8.310 1.00 0.00 C ATOM 1137 C LEU A 75 -2.413 -7.742 8.138 1.00 0.00 C ATOM 1138 O LEU A 75 -3.164 -6.851 8.469 1.00 0.00 O ATOM 1139 CB LEU A 75 -0.220 -7.138 7.026 1.00 0.00 C ATOM 1140 CG LEU A 75 0.389 -5.757 7.255 1.00 0.00 C ATOM 1141 CD1 LEU A 75 1.694 -5.906 8.037 1.00 0.00 C ATOM 1142 CD2 LEU A 75 0.678 -5.102 5.902 1.00 0.00 C ATOM 0 H LEU A 75 0.512 -9.172 7.981 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.725 -6.943 9.141 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.556 -7.842 6.724 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.945 -7.095 6.213 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.307 -5.136 7.820 1.00 0.00 H new ATOM 0 HD11 LEU A 75 2.133 -4.922 8.203 1.00 0.00 H new ATOM 0 HD12 LEU A 75 1.491 -6.379 8.997 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.390 -6.523 7.469 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.113 -4.115 6.061 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.378 -5.721 5.340 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.251 -5.003 5.340 1.00 0.00 H new ATOM 1154 N ALA A 76 -2.855 -8.858 7.626 1.00 0.00 N ATOM 1155 CA ALA A 76 -4.304 -9.081 7.424 1.00 0.00 C ATOM 1156 C ALA A 76 -4.956 -9.626 8.705 1.00 0.00 C ATOM 1157 O ALA A 76 -6.083 -9.299 9.022 1.00 0.00 O ATOM 1158 CB ALA A 76 -4.371 -10.116 6.301 1.00 0.00 C ATOM 0 H ALA A 76 -2.259 -9.634 7.336 1.00 0.00 H new ATOM 0 HA ALA A 76 -4.837 -8.162 7.179 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -5.413 -10.346 6.080 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.891 -9.716 5.408 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -3.857 -11.025 6.613 1.00 0.00 H new ATOM 1164 N GLU A 77 -4.263 -10.464 9.436 1.00 0.00 N ATOM 1165 CA GLU A 77 -4.855 -11.037 10.683 1.00 0.00 C ATOM 1166 C GLU A 77 -4.954 -9.975 11.791 1.00 0.00 C ATOM 1167 O GLU A 77 -5.709 -10.120 12.733 1.00 0.00 O ATOM 1168 CB GLU A 77 -3.910 -12.176 11.095 1.00 0.00 C ATOM 1169 CG GLU A 77 -2.716 -11.619 11.876 1.00 0.00 C ATOM 1170 CD GLU A 77 -2.877 -11.953 13.360 1.00 0.00 C ATOM 1171 OE1 GLU A 77 -3.922 -11.641 13.907 1.00 0.00 O ATOM 1172 OE2 GLU A 77 -1.955 -12.520 13.924 1.00 0.00 O ATOM 0 H GLU A 77 -3.315 -10.775 9.223 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.871 -11.394 10.517 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -4.448 -12.900 11.707 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -3.559 -12.705 10.209 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -1.788 -12.045 11.495 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -2.651 -10.539 11.740 1.00 0.00 H new ATOM 1179 N ARG A 78 -4.203 -8.911 11.690 1.00 0.00 N ATOM 1180 CA ARG A 78 -4.262 -7.852 12.733 1.00 0.00 C ATOM 1181 C ARG A 78 -4.046 -6.480 12.096 1.00 0.00 C ATOM 1182 O ARG A 78 -3.663 -5.531 12.751 1.00 0.00 O ATOM 1183 CB ARG A 78 -3.126 -8.179 13.699 1.00 0.00 C ATOM 1184 CG ARG A 78 -1.793 -8.174 12.944 1.00 0.00 C ATOM 1185 CD ARG A 78 -0.644 -7.895 13.924 1.00 0.00 C ATOM 1186 NE ARG A 78 -0.975 -8.670 15.154 1.00 0.00 N ATOM 1187 CZ ARG A 78 -0.411 -8.370 16.295 1.00 0.00 C ATOM 1188 NH1 ARG A 78 -0.143 -7.125 16.589 1.00 0.00 N ATOM 1189 NH2 ARG A 78 -0.113 -9.317 17.141 1.00 0.00 N ATOM 0 H ARG A 78 -3.550 -8.731 10.927 1.00 0.00 H new ATOM 0 HA ARG A 78 -5.227 -7.823 13.239 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.101 -7.448 14.507 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -3.293 -9.154 14.156 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -1.639 -9.134 12.452 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -1.810 -7.415 12.162 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.313 -8.209 13.507 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -0.563 -6.830 14.141 1.00 0.00 H new ATOM 0 HE ARG A 78 -1.645 -9.438 15.105 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -0.374 -6.384 15.928 1.00 0.00 H new ATOM 0 HH12 ARG A 78 0.297 -6.895 17.480 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -0.320 -10.289 16.912 1.00 0.00 H new ATOM 0 HH22 ARG A 78 0.327 -9.085 18.032 1.00 0.00 H new ATOM 1203 N ASN A 79 -4.275 -6.388 10.815 1.00 0.00 N ATOM 1204 CA ASN A 79 -4.076 -5.093 10.086 1.00 0.00 C ATOM 1205 C ASN A 79 -4.376 -3.883 10.975 1.00 0.00 C ATOM 1206 O ASN A 79 -5.229 -3.914 11.839 1.00 0.00 O ATOM 1207 CB ASN A 79 -5.034 -5.107 8.878 1.00 0.00 C ATOM 1208 CG ASN A 79 -6.125 -6.174 9.034 1.00 0.00 C ATOM 1209 OD1 ASN A 79 -6.706 -6.321 10.090 1.00 0.00 O ATOM 1210 ND2 ASN A 79 -6.418 -6.932 8.014 1.00 0.00 N ATOM 0 H ASN A 79 -4.595 -7.161 10.232 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.035 -5.003 9.776 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -5.497 -4.126 8.769 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -4.468 -5.296 7.966 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -7.137 -7.650 8.102 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -5.928 -6.806 7.128 1.00 0.00 H new ATOM 1217 N VAL A 80 -3.663 -2.816 10.745 1.00 0.00 N ATOM 1218 CA VAL A 80 -3.853 -1.560 11.532 1.00 0.00 C ATOM 1219 C VAL A 80 -4.142 -0.431 10.514 1.00 0.00 C ATOM 1220 O VAL A 80 -4.664 -0.729 9.458 1.00 0.00 O ATOM 1221 CB VAL A 80 -2.522 -1.375 12.292 1.00 0.00 C ATOM 1222 CG1 VAL A 80 -2.805 -0.787 13.677 1.00 0.00 C ATOM 1223 CG2 VAL A 80 -1.815 -2.727 12.480 1.00 0.00 C ATOM 0 H VAL A 80 -2.939 -2.759 10.028 1.00 0.00 H new ATOM 0 HA VAL A 80 -4.678 -1.569 12.244 1.00 0.00 H new ATOM 0 HB VAL A 80 -1.885 -0.707 11.712 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.866 -0.656 14.215 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.299 0.178 13.568 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.451 -1.465 14.235 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.879 -2.576 13.018 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.458 -3.397 13.051 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.607 -3.167 11.505 1.00 0.00 H new ATOM 1233 N PRO A 81 -3.813 0.822 10.793 1.00 0.00 N ATOM 1234 CA PRO A 81 -4.100 1.862 9.776 1.00 0.00 C ATOM 1235 C PRO A 81 -3.194 1.615 8.573 1.00 0.00 C ATOM 1236 O PRO A 81 -1.984 1.623 8.681 1.00 0.00 O ATOM 1237 CB PRO A 81 -3.795 3.176 10.481 1.00 0.00 C ATOM 1238 CG PRO A 81 -2.846 2.813 11.573 1.00 0.00 C ATOM 1239 CD PRO A 81 -3.170 1.398 11.988 1.00 0.00 C ATOM 0 HA PRO A 81 -5.124 1.862 9.402 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -3.352 3.899 9.796 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -4.702 3.630 10.880 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -1.815 2.887 11.228 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -2.950 3.495 12.417 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -2.272 0.846 12.265 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -3.836 1.376 12.851 1.00 0.00 H new ATOM 1247 N PHE A 82 -3.780 1.344 7.443 1.00 0.00 N ATOM 1248 CA PHE A 82 -2.972 1.023 6.233 1.00 0.00 C ATOM 1249 C PHE A 82 -3.892 0.712 5.051 1.00 0.00 C ATOM 1250 O PHE A 82 -4.976 1.243 4.921 1.00 0.00 O ATOM 1251 CB PHE A 82 -2.204 -0.250 6.635 1.00 0.00 C ATOM 1252 CG PHE A 82 -3.103 -1.478 6.539 1.00 0.00 C ATOM 1253 CD1 PHE A 82 -4.491 -1.370 6.731 1.00 0.00 C ATOM 1254 CD2 PHE A 82 -2.541 -2.728 6.255 1.00 0.00 C ATOM 1255 CE1 PHE A 82 -5.307 -2.501 6.635 1.00 0.00 C ATOM 1256 CE2 PHE A 82 -3.361 -3.861 6.161 1.00 0.00 C ATOM 1257 CZ PHE A 82 -4.742 -3.746 6.349 1.00 0.00 C ATOM 0 H PHE A 82 -4.790 1.331 7.303 1.00 0.00 H new ATOM 0 HA PHE A 82 -2.322 1.844 5.930 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.337 -0.377 5.987 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -1.829 -0.147 7.653 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -4.929 -0.408 6.954 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -1.475 -2.820 6.108 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -6.373 -2.412 6.782 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -2.925 -4.825 5.943 1.00 0.00 H new ATOM 0 HZ PHE A 82 -5.372 -4.620 6.273 1.00 0.00 H new ATOM 1267 N ILE A 83 -3.465 -0.195 4.224 1.00 0.00 N ATOM 1268 CA ILE A 83 -4.284 -0.632 3.069 1.00 0.00 C ATOM 1269 C ILE A 83 -3.616 -1.859 2.465 1.00 0.00 C ATOM 1270 O ILE A 83 -2.436 -2.057 2.638 1.00 0.00 O ATOM 1271 CB ILE A 83 -4.322 0.558 2.103 1.00 0.00 C ATOM 1272 CG1 ILE A 83 -5.765 1.048 1.970 1.00 0.00 C ATOM 1273 CG2 ILE A 83 -3.796 0.166 0.714 1.00 0.00 C ATOM 1274 CD1 ILE A 83 -5.825 2.552 2.248 1.00 0.00 C ATOM 0 H ILE A 83 -2.561 -0.662 4.304 1.00 0.00 H new ATOM 0 HA ILE A 83 -5.305 -0.912 3.330 1.00 0.00 H new ATOM 0 HB ILE A 83 -3.684 1.346 2.503 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -6.140 0.838 0.968 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -6.407 0.513 2.669 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -3.836 1.031 0.052 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.765 -0.179 0.799 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -4.413 -0.633 0.304 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -6.854 2.899 2.153 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -5.468 2.750 3.259 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -5.196 3.080 1.531 1.00 0.00 H new ATOM 1286 N PHE A 84 -4.348 -2.683 1.775 1.00 0.00 N ATOM 1287 CA PHE A 84 -3.724 -3.900 1.186 1.00 0.00 C ATOM 1288 C PHE A 84 -4.533 -4.401 -0.006 1.00 0.00 C ATOM 1289 O PHE A 84 -5.650 -3.974 -0.263 1.00 0.00 O ATOM 1290 CB PHE A 84 -3.744 -4.928 2.314 1.00 0.00 C ATOM 1291 CG PHE A 84 -3.021 -6.201 1.894 1.00 0.00 C ATOM 1292 CD1 PHE A 84 -3.691 -7.154 1.116 1.00 0.00 C ATOM 1293 CD2 PHE A 84 -1.691 -6.439 2.289 1.00 0.00 C ATOM 1294 CE1 PHE A 84 -3.044 -8.334 0.727 1.00 0.00 C ATOM 1295 CE2 PHE A 84 -1.049 -7.623 1.895 1.00 0.00 C ATOM 1296 CZ PHE A 84 -1.726 -8.567 1.116 1.00 0.00 C ATOM 0 H PHE A 84 -5.345 -2.570 1.593 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.717 -3.707 0.817 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -3.270 -4.510 3.202 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.774 -5.161 2.583 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -4.713 -6.978 0.814 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -1.167 -5.713 2.893 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -3.566 -9.063 0.126 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -0.028 -7.806 2.195 1.00 0.00 H new ATOM 0 HZ PHE A 84 -1.227 -9.477 0.816 1.00 0.00 H new ATOM 1306 N ALA A 85 -3.977 -5.298 -0.749 1.00 0.00 N ATOM 1307 CA ALA A 85 -4.712 -5.818 -1.916 1.00 0.00 C ATOM 1308 C ALA A 85 -4.295 -7.254 -2.208 1.00 0.00 C ATOM 1309 O ALA A 85 -3.275 -7.722 -1.745 1.00 0.00 O ATOM 1310 CB ALA A 85 -4.308 -4.896 -3.057 1.00 0.00 C ATOM 0 H ALA A 85 -3.048 -5.693 -0.600 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.791 -5.835 -1.760 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -4.810 -5.209 -3.973 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -4.596 -3.872 -2.817 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -3.229 -4.945 -3.200 1.00 0.00 H new ATOM 1316 N THR A 86 -5.067 -7.954 -2.983 1.00 0.00 N ATOM 1317 CA THR A 86 -4.695 -9.360 -3.307 1.00 0.00 C ATOM 1318 C THR A 86 -5.529 -9.870 -4.484 1.00 0.00 C ATOM 1319 O THR A 86 -6.545 -9.301 -4.830 1.00 0.00 O ATOM 1320 CB THR A 86 -4.975 -10.196 -2.042 1.00 0.00 C ATOM 1321 OG1 THR A 86 -5.512 -11.455 -2.428 1.00 0.00 O ATOM 1322 CG2 THR A 86 -5.974 -9.485 -1.119 1.00 0.00 C ATOM 0 H THR A 86 -5.934 -7.620 -3.405 1.00 0.00 H new ATOM 0 HA THR A 86 -3.646 -9.433 -3.595 1.00 0.00 H new ATOM 0 HB THR A 86 -4.039 -10.329 -1.500 1.00 0.00 H new ATOM 0 HG1 THR A 86 -5.980 -11.858 -1.667 1.00 0.00 H new ATOM 0 HG21 THR A 86 -6.152 -10.098 -0.235 1.00 0.00 H new ATOM 0 HG22 THR A 86 -5.566 -8.521 -0.816 1.00 0.00 H new ATOM 0 HG23 THR A 86 -6.914 -9.331 -1.650 1.00 0.00 H new ATOM 1330 N GLY A 87 -5.109 -10.939 -5.104 1.00 0.00 N ATOM 1331 CA GLY A 87 -5.878 -11.482 -6.257 1.00 0.00 C ATOM 1332 C GLY A 87 -7.361 -11.532 -5.893 1.00 0.00 C ATOM 1333 O GLY A 87 -8.224 -11.462 -6.746 1.00 0.00 O ATOM 0 H GLY A 87 -4.266 -11.459 -4.861 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -5.728 -10.856 -7.137 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -5.520 -12.480 -6.511 1.00 0.00 H new ATOM 1337 N TYR A 88 -7.663 -11.650 -4.629 1.00 0.00 N ATOM 1338 CA TYR A 88 -9.091 -11.702 -4.207 1.00 0.00 C ATOM 1339 C TYR A 88 -9.723 -10.313 -4.318 1.00 0.00 C ATOM 1340 O TYR A 88 -10.611 -10.088 -5.115 1.00 0.00 O ATOM 1341 CB TYR A 88 -9.064 -12.173 -2.741 1.00 0.00 C ATOM 1342 CG TYR A 88 -10.325 -11.729 -2.019 1.00 0.00 C ATOM 1343 CD1 TYR A 88 -11.519 -11.546 -2.731 1.00 0.00 C ATOM 1344 CD2 TYR A 88 -10.298 -11.488 -0.640 1.00 0.00 C ATOM 1345 CE1 TYR A 88 -12.675 -11.127 -2.070 1.00 0.00 C ATOM 1346 CE2 TYR A 88 -11.461 -11.072 0.017 1.00 0.00 C ATOM 1347 CZ TYR A 88 -12.646 -10.891 -0.697 1.00 0.00 C ATOM 1348 OH TYR A 88 -13.789 -10.476 -0.043 1.00 0.00 O ATOM 0 H TYR A 88 -6.983 -11.713 -3.871 1.00 0.00 H new ATOM 0 HA TYR A 88 -9.682 -12.371 -4.833 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -8.979 -13.259 -2.703 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -8.187 -11.766 -2.238 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -11.544 -11.730 -3.795 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -9.382 -11.623 -0.085 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -13.592 -10.986 -2.623 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -11.441 -10.890 1.081 1.00 0.00 H new ATOM 0 HH TYR A 88 -13.544 -9.899 0.710 1.00 0.00 H new ATOM 1358 N GLY A 89 -9.296 -9.391 -3.503 1.00 0.00 N ATOM 1359 CA GLY A 89 -9.904 -8.037 -3.548 1.00 0.00 C ATOM 1360 C GLY A 89 -9.933 -7.440 -2.136 1.00 0.00 C ATOM 1361 O GLY A 89 -10.032 -6.240 -1.975 1.00 0.00 O ATOM 0 H GLY A 89 -8.556 -9.517 -2.812 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -9.332 -7.392 -4.215 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -10.915 -8.094 -3.950 1.00 0.00 H new ATOM 1365 N SER A 90 -9.821 -8.272 -1.118 1.00 0.00 N ATOM 1366 CA SER A 90 -9.820 -7.776 0.307 1.00 0.00 C ATOM 1367 C SER A 90 -10.330 -8.844 1.288 1.00 0.00 C ATOM 1368 O SER A 90 -11.516 -8.952 1.530 1.00 0.00 O ATOM 1369 CB SER A 90 -10.751 -6.560 0.354 1.00 0.00 C ATOM 1370 OG SER A 90 -11.832 -6.761 -0.549 1.00 0.00 O ATOM 0 H SER A 90 -9.729 -9.283 -1.214 1.00 0.00 H new ATOM 0 HA SER A 90 -8.802 -7.527 0.606 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.129 -6.416 1.366 1.00 0.00 H new ATOM 0 HB3 SER A 90 -10.202 -5.657 0.087 1.00 0.00 H new ATOM 0 HG SER A 90 -11.702 -6.203 -1.344 1.00 0.00 H new ATOM 1376 N LYS A 91 -9.438 -9.613 1.870 1.00 0.00 N ATOM 1377 CA LYS A 91 -9.853 -10.671 2.849 1.00 0.00 C ATOM 1378 C LYS A 91 -10.503 -10.066 4.102 1.00 0.00 C ATOM 1379 O LYS A 91 -10.102 -10.347 5.213 1.00 0.00 O ATOM 1380 CB LYS A 91 -8.555 -11.408 3.206 1.00 0.00 C ATOM 1381 CG LYS A 91 -7.687 -10.561 4.148 1.00 0.00 C ATOM 1382 CD LYS A 91 -7.229 -11.425 5.328 1.00 0.00 C ATOM 1383 CE LYS A 91 -7.843 -10.899 6.627 1.00 0.00 C ATOM 1384 NZ LYS A 91 -8.706 -12.010 7.115 1.00 0.00 N ATOM 0 H LYS A 91 -8.433 -9.552 1.707 1.00 0.00 H new ATOM 0 HA LYS A 91 -10.604 -11.336 2.424 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -8.791 -12.360 3.680 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -7.998 -11.634 2.297 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -6.822 -10.170 3.611 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -8.253 -9.702 4.509 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -7.527 -12.461 5.168 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -6.141 -11.413 5.398 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -7.072 -10.647 7.356 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -8.424 -9.994 6.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -8.974 -11.833 8.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -9.563 -12.067 6.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -8.184 -12.908 7.053 1.00 0.00 H new ATOM 1398 N GLY A 92 -11.516 -9.256 3.940 1.00 0.00 N ATOM 1399 CA GLY A 92 -12.189 -8.656 5.130 1.00 0.00 C ATOM 1400 C GLY A 92 -11.163 -7.902 5.980 1.00 0.00 C ATOM 1401 O GLY A 92 -11.313 -7.770 7.179 1.00 0.00 O ATOM 0 H GLY A 92 -11.906 -8.984 3.037 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -12.979 -7.977 4.809 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -12.663 -9.438 5.724 1.00 0.00 H new ATOM 1405 N LEU A 93 -10.118 -7.410 5.372 1.00 0.00 N ATOM 1406 CA LEU A 93 -9.082 -6.670 6.150 1.00 0.00 C ATOM 1407 C LEU A 93 -9.714 -5.535 6.968 1.00 0.00 C ATOM 1408 O LEU A 93 -10.570 -4.813 6.500 1.00 0.00 O ATOM 1409 CB LEU A 93 -8.083 -6.132 5.106 1.00 0.00 C ATOM 1410 CG LEU A 93 -8.664 -4.964 4.281 1.00 0.00 C ATOM 1411 CD1 LEU A 93 -10.063 -5.304 3.757 1.00 0.00 C ATOM 1412 CD2 LEU A 93 -8.723 -3.692 5.135 1.00 0.00 C ATOM 0 H LEU A 93 -9.936 -7.488 4.371 1.00 0.00 H new ATOM 0 HA LEU A 93 -8.584 -7.314 6.874 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.177 -5.800 5.612 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -7.795 -6.940 4.433 1.00 0.00 H new ATOM 0 HG LEU A 93 -8.008 -4.794 3.427 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -10.449 -4.464 3.179 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -10.009 -6.188 3.121 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -10.728 -5.502 4.597 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -9.134 -2.875 4.543 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -9.358 -3.866 6.004 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -7.718 -3.430 5.467 1.00 0.00 H new ATOM 1424 N ASP A 94 -9.291 -5.371 8.192 1.00 0.00 N ATOM 1425 CA ASP A 94 -9.855 -4.277 9.036 1.00 0.00 C ATOM 1426 C ASP A 94 -8.801 -3.191 9.259 1.00 0.00 C ATOM 1427 O ASP A 94 -7.614 -3.450 9.233 1.00 0.00 O ATOM 1428 CB ASP A 94 -10.247 -4.935 10.360 1.00 0.00 C ATOM 1429 CG ASP A 94 -9.060 -5.718 10.920 1.00 0.00 C ATOM 1430 OD1 ASP A 94 -8.267 -5.124 11.632 1.00 0.00 O ATOM 1431 OD2 ASP A 94 -8.967 -6.899 10.631 1.00 0.00 O ATOM 0 H ASP A 94 -8.580 -5.946 8.644 1.00 0.00 H new ATOM 0 HA ASP A 94 -10.713 -3.797 8.564 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -10.563 -4.175 11.075 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -11.095 -5.602 10.208 1.00 0.00 H new ATOM 1436 N THR A 95 -9.223 -1.978 9.480 1.00 0.00 N ATOM 1437 CA THR A 95 -8.241 -0.880 9.708 1.00 0.00 C ATOM 1438 C THR A 95 -8.964 0.451 9.868 1.00 0.00 C ATOM 1439 O THR A 95 -10.109 0.597 9.488 1.00 0.00 O ATOM 1440 CB THR A 95 -7.371 -0.849 8.449 1.00 0.00 C ATOM 1441 OG1 THR A 95 -6.655 0.378 8.398 1.00 0.00 O ATOM 1442 CG2 THR A 95 -8.255 -0.980 7.206 1.00 0.00 C ATOM 0 H THR A 95 -10.203 -1.699 9.513 1.00 0.00 H new ATOM 0 HA THR A 95 -7.654 -1.044 10.612 1.00 0.00 H new ATOM 0 HB THR A 95 -6.666 -1.680 8.477 1.00 0.00 H new ATOM 0 HG1 THR A 95 -5.702 0.207 8.548 1.00 0.00 H new ATOM 0 HG21 THR A 95 -7.632 -0.957 6.312 1.00 0.00 H new ATOM 0 HG22 THR A 95 -8.800 -1.923 7.245 1.00 0.00 H new ATOM 0 HG23 THR A 95 -8.964 -0.153 7.175 1.00 0.00 H new ATOM 1450 N ARG A 96 -8.299 1.432 10.406 1.00 0.00 N ATOM 1451 CA ARG A 96 -8.946 2.760 10.560 1.00 0.00 C ATOM 1452 C ARG A 96 -9.524 3.188 9.217 1.00 0.00 C ATOM 1453 O ARG A 96 -10.400 4.026 9.139 1.00 0.00 O ATOM 1454 CB ARG A 96 -7.823 3.706 10.970 1.00 0.00 C ATOM 1455 CG ARG A 96 -7.441 3.437 12.422 1.00 0.00 C ATOM 1456 CD ARG A 96 -6.225 4.281 12.790 1.00 0.00 C ATOM 1457 NE ARG A 96 -6.764 5.362 13.660 1.00 0.00 N ATOM 1458 CZ ARG A 96 -7.184 6.477 13.126 1.00 0.00 C ATOM 1459 NH1 ARG A 96 -6.422 7.118 12.282 1.00 0.00 N ATOM 1460 NH2 ARG A 96 -8.364 6.945 13.432 1.00 0.00 N ATOM 0 H ARG A 96 -7.339 1.372 10.745 1.00 0.00 H new ATOM 0 HA ARG A 96 -9.755 2.753 11.291 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -6.958 3.564 10.322 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -8.143 4.741 10.852 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -8.276 3.677 13.080 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -7.219 2.379 12.561 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -5.475 3.688 13.314 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -5.744 4.691 11.902 1.00 0.00 H new ATOM 0 HE ARG A 96 -6.805 5.232 14.671 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -5.502 6.747 12.042 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -6.746 7.989 11.862 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -8.959 6.439 14.089 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -8.691 7.816 13.014 1.00 0.00 H new ATOM 1474 N TYR A 97 -9.032 2.617 8.155 1.00 0.00 N ATOM 1475 CA TYR A 97 -9.549 2.994 6.814 1.00 0.00 C ATOM 1476 C TYR A 97 -10.988 2.465 6.640 1.00 0.00 C ATOM 1477 O TYR A 97 -11.861 3.196 6.220 1.00 0.00 O ATOM 1478 CB TYR A 97 -8.548 2.386 5.833 1.00 0.00 C ATOM 1479 CG TYR A 97 -7.293 3.232 5.822 1.00 0.00 C ATOM 1480 CD1 TYR A 97 -6.439 3.242 6.933 1.00 0.00 C ATOM 1481 CD2 TYR A 97 -6.989 4.016 4.702 1.00 0.00 C ATOM 1482 CE1 TYR A 97 -5.283 4.034 6.922 1.00 0.00 C ATOM 1483 CE2 TYR A 97 -5.835 4.808 4.693 1.00 0.00 C ATOM 1484 CZ TYR A 97 -4.982 4.818 5.802 1.00 0.00 C ATOM 1485 OH TYR A 97 -3.845 5.601 5.790 1.00 0.00 O ATOM 0 H TYR A 97 -8.298 1.909 8.158 1.00 0.00 H new ATOM 0 HA TYR A 97 -9.625 4.070 6.654 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -8.310 1.363 6.124 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -8.980 2.341 4.833 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -6.672 2.639 7.798 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -7.646 4.009 3.845 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -4.624 4.040 7.778 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -5.603 5.412 3.829 1.00 0.00 H new ATOM 0 HH TYR A 97 -3.787 6.080 4.937 1.00 0.00 H new ATOM 1495 N SER A 98 -11.254 1.224 7.013 1.00 0.00 N ATOM 1496 CA SER A 98 -12.648 0.664 6.940 1.00 0.00 C ATOM 1497 C SER A 98 -13.064 0.260 5.525 1.00 0.00 C ATOM 1498 O SER A 98 -13.934 0.876 4.944 1.00 0.00 O ATOM 1499 CB SER A 98 -13.560 1.783 7.446 1.00 0.00 C ATOM 1500 OG SER A 98 -12.921 2.461 8.520 1.00 0.00 O ATOM 0 H SER A 98 -10.554 0.572 7.368 1.00 0.00 H new ATOM 0 HA SER A 98 -12.712 -0.248 7.533 1.00 0.00 H new ATOM 0 HB2 SER A 98 -13.779 2.482 6.639 1.00 0.00 H new ATOM 0 HB3 SER A 98 -14.513 1.370 7.777 1.00 0.00 H new ATOM 0 HG SER A 98 -13.502 3.180 8.845 1.00 0.00 H new ATOM 1506 N ASN A 99 -12.498 -0.787 4.976 1.00 0.00 N ATOM 1507 CA ASN A 99 -12.934 -1.216 3.609 1.00 0.00 C ATOM 1508 C ASN A 99 -12.909 -0.020 2.657 1.00 0.00 C ATOM 1509 O ASN A 99 -13.801 0.804 2.666 1.00 0.00 O ATOM 1510 CB ASN A 99 -14.355 -1.685 3.849 1.00 0.00 C ATOM 1511 CG ASN A 99 -14.358 -3.184 4.149 1.00 0.00 C ATOM 1512 OD1 ASN A 99 -15.337 -3.862 3.908 1.00 0.00 O ATOM 1513 ND2 ASN A 99 -13.294 -3.734 4.669 1.00 0.00 N ATOM 0 H ASN A 99 -11.767 -1.354 5.405 1.00 0.00 H new ATOM 0 HA ASN A 99 -12.300 -1.980 3.158 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -14.794 -1.136 4.683 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -14.970 -1.478 2.973 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -13.284 -4.733 4.873 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -12.472 -3.164 4.871 1.00 0.00 H new ATOM 1520 N ILE A 100 -11.881 0.097 1.862 1.00 0.00 N ATOM 1521 CA ILE A 100 -11.758 1.267 0.958 1.00 0.00 C ATOM 1522 C ILE A 100 -10.800 0.904 -0.222 1.00 0.00 C ATOM 1523 O ILE A 100 -11.034 -0.114 -0.844 1.00 0.00 O ATOM 1524 CB ILE A 100 -11.235 2.369 1.903 1.00 0.00 C ATOM 1525 CG1 ILE A 100 -10.013 1.861 2.704 1.00 0.00 C ATOM 1526 CG2 ILE A 100 -12.328 2.801 2.884 1.00 0.00 C ATOM 1527 CD1 ILE A 100 -10.421 0.866 3.810 1.00 0.00 C ATOM 0 H ILE A 100 -11.116 -0.576 1.802 1.00 0.00 H new ATOM 0 HA ILE A 100 -12.675 1.591 0.466 1.00 0.00 H new ATOM 0 HB ILE A 100 -10.940 3.221 1.291 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -9.309 1.380 2.025 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -9.495 2.709 3.152 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -11.940 3.579 3.542 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -13.183 3.188 2.329 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -12.641 1.944 3.480 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -9.532 0.535 4.347 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -11.104 1.354 4.505 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -10.915 0.005 3.360 1.00 0.00 H new ATOM 1539 N PRO A 101 -9.758 1.684 -0.548 1.00 0.00 N ATOM 1540 CA PRO A 101 -8.899 1.269 -1.692 1.00 0.00 C ATOM 1541 C PRO A 101 -8.175 -0.037 -1.402 1.00 0.00 C ATOM 1542 O PRO A 101 -7.010 -0.047 -1.056 1.00 0.00 O ATOM 1543 CB PRO A 101 -7.908 2.400 -1.850 1.00 0.00 C ATOM 1544 CG PRO A 101 -7.866 3.063 -0.525 1.00 0.00 C ATOM 1545 CD PRO A 101 -9.252 2.952 0.035 1.00 0.00 C ATOM 0 HA PRO A 101 -9.485 1.092 -2.594 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -6.925 2.026 -2.135 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -8.223 3.095 -2.629 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -7.140 2.581 0.130 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -7.566 4.106 -0.620 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -9.244 2.918 1.124 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -9.871 3.802 -0.253 1.00 0.00 H new ATOM 1553 N LEU A 102 -8.842 -1.144 -1.556 1.00 0.00 N ATOM 1554 CA LEU A 102 -8.163 -2.438 -1.304 1.00 0.00 C ATOM 1555 C LEU A 102 -8.716 -3.513 -2.232 1.00 0.00 C ATOM 1556 O LEU A 102 -9.911 -3.674 -2.336 1.00 0.00 O ATOM 1557 CB LEU A 102 -8.473 -2.795 0.153 1.00 0.00 C ATOM 1558 CG LEU A 102 -7.688 -1.886 1.095 1.00 0.00 C ATOM 1559 CD1 LEU A 102 -8.481 -0.608 1.336 1.00 0.00 C ATOM 1560 CD2 LEU A 102 -7.477 -2.600 2.431 1.00 0.00 C ATOM 0 H LEU A 102 -9.819 -1.207 -1.843 1.00 0.00 H new ATOM 0 HA LEU A 102 -7.090 -2.369 -1.485 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -9.542 -2.691 0.341 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -8.216 -3.837 0.343 1.00 0.00 H new ATOM 0 HG LEU A 102 -6.723 -1.646 0.649 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -7.924 0.044 2.008 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -8.644 -0.097 0.387 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -9.443 -0.856 1.785 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -6.916 -1.952 3.105 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -8.444 -2.835 2.875 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -6.919 -3.522 2.267 1.00 0.00 H new ATOM 1572 N LEU A 103 -7.835 -4.253 -2.878 1.00 0.00 N ATOM 1573 CA LEU A 103 -8.246 -5.367 -3.818 1.00 0.00 C ATOM 1574 C LEU A 103 -7.214 -5.524 -4.947 1.00 0.00 C ATOM 1575 O LEU A 103 -6.044 -5.314 -4.753 1.00 0.00 O ATOM 1576 CB LEU A 103 -9.613 -4.986 -4.410 1.00 0.00 C ATOM 1577 CG LEU A 103 -9.568 -3.553 -4.948 1.00 0.00 C ATOM 1578 CD1 LEU A 103 -9.433 -3.585 -6.473 1.00 0.00 C ATOM 1579 CD2 LEU A 103 -10.863 -2.829 -4.569 1.00 0.00 C ATOM 0 H LEU A 103 -6.826 -4.131 -2.793 1.00 0.00 H new ATOM 0 HA LEU A 103 -8.304 -6.314 -3.282 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -9.877 -5.676 -5.211 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -10.386 -5.073 -3.647 1.00 0.00 H new ATOM 0 HG LEU A 103 -8.715 -3.028 -4.518 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -9.401 -2.565 -6.857 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -8.515 -4.105 -6.746 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -10.287 -4.108 -6.903 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -10.834 -1.808 -4.951 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -11.714 -3.355 -5.002 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -10.964 -2.808 -3.484 1.00 0.00 H new ATOM 1591 N THR A 104 -7.635 -5.883 -6.133 1.00 0.00 N ATOM 1592 CA THR A 104 -6.666 -6.023 -7.253 1.00 0.00 C ATOM 1593 C THR A 104 -6.830 -4.827 -8.196 1.00 0.00 C ATOM 1594 O THR A 104 -7.933 -4.425 -8.506 1.00 0.00 O ATOM 1595 CB THR A 104 -7.027 -7.322 -7.982 1.00 0.00 C ATOM 1596 OG1 THR A 104 -6.463 -7.291 -9.286 1.00 0.00 O ATOM 1597 CG2 THR A 104 -8.547 -7.457 -8.093 1.00 0.00 C ATOM 0 H THR A 104 -8.606 -6.084 -6.371 1.00 0.00 H new ATOM 0 HA THR A 104 -5.634 -6.051 -6.902 1.00 0.00 H new ATOM 0 HB THR A 104 -6.634 -8.171 -7.423 1.00 0.00 H new ATOM 0 HG1 THR A 104 -6.688 -8.119 -9.759 1.00 0.00 H new ATOM 0 HG21 THR A 104 -8.793 -8.383 -8.612 1.00 0.00 H new ATOM 0 HG22 THR A 104 -8.985 -7.474 -7.095 1.00 0.00 H new ATOM 0 HG23 THR A 104 -8.948 -6.611 -8.651 1.00 0.00 H new ATOM 1605 N LYS A 105 -5.756 -4.247 -8.648 1.00 0.00 N ATOM 1606 CA LYS A 105 -5.886 -3.067 -9.560 1.00 0.00 C ATOM 1607 C LYS A 105 -5.029 -3.252 -10.813 1.00 0.00 C ATOM 1608 O LYS A 105 -3.954 -3.814 -10.757 1.00 0.00 O ATOM 1609 CB LYS A 105 -5.405 -1.834 -8.768 1.00 0.00 C ATOM 1610 CG LYS A 105 -4.783 -2.238 -7.424 1.00 0.00 C ATOM 1611 CD LYS A 105 -3.406 -2.858 -7.664 1.00 0.00 C ATOM 1612 CE LYS A 105 -2.379 -1.744 -7.866 1.00 0.00 C ATOM 1613 NZ LYS A 105 -1.061 -2.435 -7.904 1.00 0.00 N ATOM 0 H LYS A 105 -4.801 -4.531 -8.431 1.00 0.00 H new ATOM 0 HA LYS A 105 -6.919 -2.949 -9.887 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -4.673 -1.284 -9.359 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -6.245 -1.161 -8.594 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -4.693 -1.366 -6.776 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -5.430 -2.950 -6.911 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -3.122 -3.481 -6.816 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -3.434 -3.506 -8.540 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -2.565 -1.199 -8.791 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -2.420 -1.018 -7.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -0.304 -1.732 -8.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -0.915 -2.954 -7.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -1.042 -3.103 -8.701 1.00 0.00 H new ATOM 1627 N PRO A 106 -5.544 -2.756 -11.907 1.00 0.00 N ATOM 1628 CA PRO A 106 -4.829 -2.851 -13.200 1.00 0.00 C ATOM 1629 C PRO A 106 -3.727 -1.787 -13.266 1.00 0.00 C ATOM 1630 O PRO A 106 -2.582 -2.044 -12.951 1.00 0.00 O ATOM 1631 CB PRO A 106 -5.919 -2.575 -14.231 1.00 0.00 C ATOM 1632 CG PRO A 106 -6.959 -1.770 -13.512 1.00 0.00 C ATOM 1633 CD PRO A 106 -6.835 -2.069 -12.037 1.00 0.00 C ATOM 0 HA PRO A 106 -4.339 -3.812 -13.358 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -5.521 -2.028 -15.085 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -6.339 -3.504 -14.616 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -6.816 -0.706 -13.700 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -7.956 -2.026 -13.871 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -6.859 -1.155 -11.444 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -7.655 -2.697 -11.689 1.00 0.00 H new ATOM 1641 N PHE A 107 -4.070 -0.592 -13.661 1.00 0.00 N ATOM 1642 CA PHE A 107 -3.053 0.493 -13.734 1.00 0.00 C ATOM 1643 C PHE A 107 -3.734 1.856 -13.588 1.00 0.00 C ATOM 1644 O PHE A 107 -3.190 2.878 -13.956 1.00 0.00 O ATOM 1645 CB PHE A 107 -2.404 0.355 -15.110 1.00 0.00 C ATOM 1646 CG PHE A 107 -0.971 0.816 -15.014 1.00 0.00 C ATOM 1647 CD1 PHE A 107 0.029 -0.081 -14.617 1.00 0.00 C ATOM 1648 CD2 PHE A 107 -0.645 2.145 -15.304 1.00 0.00 C ATOM 1649 CE1 PHE A 107 1.354 0.354 -14.508 1.00 0.00 C ATOM 1650 CE2 PHE A 107 0.681 2.578 -15.200 1.00 0.00 C ATOM 1651 CZ PHE A 107 1.681 1.683 -14.800 1.00 0.00 C ATOM 0 H PHE A 107 -5.014 -0.320 -13.937 1.00 0.00 H new ATOM 0 HA PHE A 107 -2.313 0.418 -12.938 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -2.446 -0.681 -15.446 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -2.945 0.951 -15.845 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -0.223 -1.108 -14.395 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -1.417 2.837 -15.608 1.00 0.00 H new ATOM 0 HE1 PHE A 107 2.125 -0.336 -14.198 1.00 0.00 H new ATOM 0 HE2 PHE A 107 0.934 3.603 -15.428 1.00 0.00 H new ATOM 0 HZ PHE A 107 2.704 2.018 -14.717 1.00 0.00 H new ATOM 1661 N LEU A 108 -4.922 1.875 -13.045 1.00 0.00 N ATOM 1662 CA LEU A 108 -5.643 3.168 -12.862 1.00 0.00 C ATOM 1663 C LEU A 108 -6.559 3.087 -11.639 1.00 0.00 C ATOM 1664 O LEU A 108 -6.654 4.016 -10.862 1.00 0.00 O ATOM 1665 CB LEU A 108 -6.462 3.364 -14.140 1.00 0.00 C ATOM 1666 CG LEU A 108 -7.108 4.752 -14.131 1.00 0.00 C ATOM 1667 CD1 LEU A 108 -6.088 5.798 -13.672 1.00 0.00 C ATOM 1668 CD2 LEU A 108 -7.588 5.094 -15.542 1.00 0.00 C ATOM 0 H LEU A 108 -5.425 1.049 -12.720 1.00 0.00 H new ATOM 0 HA LEU A 108 -4.959 4.000 -12.695 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -5.820 3.257 -15.015 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -7.231 2.595 -14.212 1.00 0.00 H new ATOM 0 HG LEU A 108 -7.954 4.752 -13.444 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -6.554 6.783 -13.668 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -5.745 5.555 -12.666 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -5.238 5.801 -14.355 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -8.049 6.082 -15.540 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -6.739 5.091 -16.226 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -8.319 4.353 -15.867 1.00 0.00 H new ATOM 1680 N ASP A 109 -7.227 1.979 -11.452 1.00 0.00 N ATOM 1681 CA ASP A 109 -8.123 1.840 -10.267 1.00 0.00 C ATOM 1682 C ASP A 109 -7.338 2.165 -8.996 1.00 0.00 C ATOM 1683 O ASP A 109 -7.899 2.473 -7.964 1.00 0.00 O ATOM 1684 CB ASP A 109 -8.557 0.376 -10.270 1.00 0.00 C ATOM 1685 CG ASP A 109 -10.024 0.282 -9.852 1.00 0.00 C ATOM 1686 OD1 ASP A 109 -10.318 0.616 -8.716 1.00 0.00 O ATOM 1687 OD2 ASP A 109 -10.830 -0.117 -10.676 1.00 0.00 O ATOM 0 H ASP A 109 -7.191 1.166 -12.067 1.00 0.00 H new ATOM 0 HA ASP A 109 -8.979 2.514 -10.303 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -8.422 -0.053 -11.263 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -7.935 -0.201 -9.586 1.00 0.00 H new ATOM 1692 N SER A 110 -6.039 2.091 -9.078 1.00 0.00 N ATOM 1693 CA SER A 110 -5.172 2.382 -7.901 1.00 0.00 C ATOM 1694 C SER A 110 -5.315 3.837 -7.454 1.00 0.00 C ATOM 1695 O SER A 110 -5.831 4.130 -6.396 1.00 0.00 O ATOM 1696 CB SER A 110 -3.760 2.151 -8.421 1.00 0.00 C ATOM 1697 OG SER A 110 -3.087 1.229 -7.573 1.00 0.00 O ATOM 0 H SER A 110 -5.532 1.837 -9.926 1.00 0.00 H new ATOM 0 HA SER A 110 -5.430 1.763 -7.042 1.00 0.00 H new ATOM 0 HB2 SER A 110 -3.795 1.766 -9.440 1.00 0.00 H new ATOM 0 HB3 SER A 110 -3.215 3.094 -8.456 1.00 0.00 H new ATOM 0 HG SER A 110 -2.386 1.696 -7.073 1.00 0.00 H new ATOM 1703 N GLU A 111 -4.835 4.750 -8.250 1.00 0.00 N ATOM 1704 CA GLU A 111 -4.917 6.186 -7.870 1.00 0.00 C ATOM 1705 C GLU A 111 -6.356 6.576 -7.529 1.00 0.00 C ATOM 1706 O GLU A 111 -6.615 7.189 -6.515 1.00 0.00 O ATOM 1707 CB GLU A 111 -4.433 6.954 -9.102 1.00 0.00 C ATOM 1708 CG GLU A 111 -3.904 8.325 -8.673 1.00 0.00 C ATOM 1709 CD GLU A 111 -4.927 9.405 -9.030 1.00 0.00 C ATOM 1710 OE1 GLU A 111 -5.157 9.608 -10.211 1.00 0.00 O ATOM 1711 OE2 GLU A 111 -5.462 10.012 -8.116 1.00 0.00 O ATOM 0 H GLU A 111 -4.389 4.563 -9.148 1.00 0.00 H new ATOM 0 HA GLU A 111 -4.317 6.406 -6.987 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -3.649 6.392 -9.609 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -5.250 7.074 -9.813 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -3.712 8.332 -7.600 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -2.955 8.531 -9.168 1.00 0.00 H new ATOM 1718 N LEU A 112 -7.295 6.247 -8.371 1.00 0.00 N ATOM 1719 CA LEU A 112 -8.708 6.638 -8.078 1.00 0.00 C ATOM 1720 C LEU A 112 -9.239 5.948 -6.820 1.00 0.00 C ATOM 1721 O LEU A 112 -9.807 6.587 -5.956 1.00 0.00 O ATOM 1722 CB LEU A 112 -9.543 6.237 -9.300 1.00 0.00 C ATOM 1723 CG LEU A 112 -9.279 4.785 -9.703 1.00 0.00 C ATOM 1724 CD1 LEU A 112 -10.384 3.890 -9.132 1.00 0.00 C ATOM 1725 CD2 LEU A 112 -9.289 4.690 -11.234 1.00 0.00 C ATOM 0 H LEU A 112 -7.152 5.731 -9.239 1.00 0.00 H new ATOM 0 HA LEU A 112 -8.767 7.710 -7.890 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -10.602 6.368 -9.078 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -9.308 6.897 -10.135 1.00 0.00 H new ATOM 0 HG LEU A 112 -8.314 4.460 -9.315 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -10.198 2.855 -9.418 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -10.392 3.970 -8.045 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -11.349 4.207 -9.526 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -9.102 3.659 -11.536 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -10.261 5.008 -11.612 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -8.512 5.335 -11.644 1.00 0.00 H new ATOM 1737 N GLU A 113 -9.082 4.661 -6.698 1.00 0.00 N ATOM 1738 CA GLU A 113 -9.611 3.983 -5.481 1.00 0.00 C ATOM 1739 C GLU A 113 -8.866 4.466 -4.236 1.00 0.00 C ATOM 1740 O GLU A 113 -9.448 4.699 -3.195 1.00 0.00 O ATOM 1741 CB GLU A 113 -9.367 2.476 -5.691 1.00 0.00 C ATOM 1742 CG GLU A 113 -7.914 2.118 -5.365 1.00 0.00 C ATOM 1743 CD GLU A 113 -7.703 0.619 -5.586 1.00 0.00 C ATOM 1744 OE1 GLU A 113 -8.490 -0.151 -5.061 1.00 0.00 O ATOM 1745 OE2 GLU A 113 -6.761 0.268 -6.276 1.00 0.00 O ATOM 0 H GLU A 113 -8.618 4.056 -7.376 1.00 0.00 H new ATOM 0 HA GLU A 113 -10.669 4.202 -5.334 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -10.041 1.900 -5.056 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -9.592 2.205 -6.723 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -7.235 2.690 -5.998 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -7.685 2.381 -4.332 1.00 0.00 H new ATOM 1752 N ALA A 114 -7.573 4.565 -4.328 1.00 0.00 N ATOM 1753 CA ALA A 114 -6.752 4.967 -3.150 1.00 0.00 C ATOM 1754 C ALA A 114 -7.130 6.337 -2.572 1.00 0.00 C ATOM 1755 O ALA A 114 -6.911 6.586 -1.404 1.00 0.00 O ATOM 1756 CB ALA A 114 -5.320 5.000 -3.677 1.00 0.00 C ATOM 0 H ALA A 114 -7.040 4.383 -5.179 1.00 0.00 H new ATOM 0 HA ALA A 114 -6.905 4.268 -2.328 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -4.643 5.288 -2.873 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -5.045 4.012 -4.046 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -5.248 5.724 -4.489 1.00 0.00 H new ATOM 1762 N VAL A 115 -7.651 7.245 -3.349 1.00 0.00 N ATOM 1763 CA VAL A 115 -7.965 8.586 -2.760 1.00 0.00 C ATOM 1764 C VAL A 115 -9.474 8.869 -2.726 1.00 0.00 C ATOM 1765 O VAL A 115 -9.939 9.659 -1.927 1.00 0.00 O ATOM 1766 CB VAL A 115 -7.251 9.610 -3.656 1.00 0.00 C ATOM 1767 CG1 VAL A 115 -6.919 10.858 -2.838 1.00 0.00 C ATOM 1768 CG2 VAL A 115 -5.947 9.022 -4.205 1.00 0.00 C ATOM 0 H VAL A 115 -7.870 7.128 -4.338 1.00 0.00 H new ATOM 0 HA VAL A 115 -7.630 8.634 -1.724 1.00 0.00 H new ATOM 0 HB VAL A 115 -7.910 9.865 -4.486 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -6.412 11.585 -3.473 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -7.839 11.294 -2.450 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -6.268 10.586 -2.007 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -5.453 9.760 -4.838 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -5.290 8.757 -3.376 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -6.169 8.131 -4.792 1.00 0.00 H new ATOM 1778 N LEU A 116 -10.242 8.259 -3.583 1.00 0.00 N ATOM 1779 CA LEU A 116 -11.712 8.538 -3.582 1.00 0.00 C ATOM 1780 C LEU A 116 -12.474 7.537 -2.708 1.00 0.00 C ATOM 1781 O LEU A 116 -13.433 7.890 -2.050 1.00 0.00 O ATOM 1782 CB LEU A 116 -12.140 8.405 -5.043 1.00 0.00 C ATOM 1783 CG LEU A 116 -13.664 8.495 -5.140 1.00 0.00 C ATOM 1784 CD1 LEU A 116 -14.051 9.552 -6.175 1.00 0.00 C ATOM 1785 CD2 LEU A 116 -14.229 7.140 -5.571 1.00 0.00 C ATOM 0 H LEU A 116 -9.924 7.585 -4.279 1.00 0.00 H new ATOM 0 HA LEU A 116 -11.930 9.524 -3.171 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -11.680 9.192 -5.641 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -11.795 7.454 -5.449 1.00 0.00 H new ATOM 0 HG LEU A 116 -14.070 8.770 -4.167 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -15.137 9.615 -6.243 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -13.650 10.520 -5.874 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -13.642 9.276 -7.147 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -15.315 7.204 -5.640 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -13.819 6.867 -6.543 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -13.956 6.382 -4.837 1.00 0.00 H new ATOM 1797 N VAL A 117 -12.078 6.294 -2.694 1.00 0.00 N ATOM 1798 CA VAL A 117 -12.820 5.308 -1.857 1.00 0.00 C ATOM 1799 C VAL A 117 -12.835 5.754 -0.394 1.00 0.00 C ATOM 1800 O VAL A 117 -13.686 5.356 0.375 1.00 0.00 O ATOM 1801 CB VAL A 117 -12.085 3.987 -2.010 1.00 0.00 C ATOM 1802 CG1 VAL A 117 -12.909 2.888 -1.354 1.00 0.00 C ATOM 1803 CG2 VAL A 117 -11.907 3.660 -3.492 1.00 0.00 C ATOM 0 H VAL A 117 -11.285 5.922 -3.217 1.00 0.00 H new ATOM 0 HA VAL A 117 -13.860 5.219 -2.172 1.00 0.00 H new ATOM 0 HB VAL A 117 -11.105 4.059 -1.538 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -12.391 1.934 -1.457 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -13.043 3.116 -0.296 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -13.884 2.826 -1.838 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -11.379 2.712 -3.595 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -12.885 3.585 -3.968 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -11.330 4.450 -3.972 1.00 0.00 H new ATOM 1813 N GLN A 118 -11.911 6.590 -0.003 1.00 0.00 N ATOM 1814 CA GLN A 118 -11.890 7.069 1.410 1.00 0.00 C ATOM 1815 C GLN A 118 -12.820 8.277 1.565 1.00 0.00 C ATOM 1816 O GLN A 118 -12.630 9.110 2.430 1.00 0.00 O ATOM 1817 CB GLN A 118 -10.441 7.482 1.673 1.00 0.00 C ATOM 1818 CG GLN A 118 -9.529 6.259 1.580 1.00 0.00 C ATOM 1819 CD GLN A 118 -8.094 6.671 1.909 1.00 0.00 C ATOM 1820 OE1 GLN A 118 -7.580 6.337 2.959 1.00 0.00 O ATOM 1821 NE2 GLN A 118 -7.418 7.388 1.052 1.00 0.00 N ATOM 0 H GLN A 118 -11.171 6.961 -0.599 1.00 0.00 H new ATOM 0 HA GLN A 118 -12.229 6.304 2.109 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -10.130 8.235 0.948 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -10.356 7.936 2.660 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -9.865 5.487 2.272 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -9.576 5.832 0.578 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -7.848 7.669 0.171 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -6.460 7.667 1.264 1.00 0.00 H new ATOM 1830 N ILE A 119 -13.818 8.385 0.729 1.00 0.00 N ATOM 1831 CA ILE A 119 -14.745 9.545 0.828 1.00 0.00 C ATOM 1832 C ILE A 119 -16.093 9.210 0.166 1.00 0.00 C ATOM 1833 O ILE A 119 -16.853 10.084 -0.197 1.00 0.00 O ATOM 1834 CB ILE A 119 -14.000 10.682 0.100 1.00 0.00 C ATOM 1835 CG1 ILE A 119 -14.129 11.970 0.910 1.00 0.00 C ATOM 1836 CG2 ILE A 119 -14.572 10.912 -1.304 1.00 0.00 C ATOM 1837 CD1 ILE A 119 -15.606 12.302 1.091 1.00 0.00 C ATOM 0 H ILE A 119 -14.030 7.721 -0.016 1.00 0.00 H new ATOM 0 HA ILE A 119 -14.989 9.820 1.854 1.00 0.00 H new ATOM 0 HB ILE A 119 -12.952 10.397 0.003 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -13.649 11.853 1.881 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -13.620 12.787 0.399 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -14.026 11.720 -1.792 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -14.472 10.000 -1.892 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -15.626 11.181 -1.228 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -15.704 13.221 1.669 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -16.071 12.436 0.114 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -16.100 11.487 1.619 1.00 0.00 H new ATOM 1849 N SER A 120 -16.394 7.949 0.008 1.00 0.00 N ATOM 1850 CA SER A 120 -17.690 7.566 -0.627 1.00 0.00 C ATOM 1851 C SER A 120 -18.825 7.623 0.400 1.00 0.00 C ATOM 1852 O SER A 120 -19.976 7.411 0.077 1.00 0.00 O ATOM 1853 CB SER A 120 -17.486 6.134 -1.117 1.00 0.00 C ATOM 1854 OG SER A 120 -17.880 6.046 -2.479 1.00 0.00 O ATOM 0 H SER A 120 -15.801 7.169 0.290 1.00 0.00 H new ATOM 0 HA SER A 120 -17.963 8.240 -1.439 1.00 0.00 H new ATOM 0 HB2 SER A 120 -16.440 5.845 -1.009 1.00 0.00 H new ATOM 0 HB3 SER A 120 -18.072 5.443 -0.511 1.00 0.00 H new ATOM 0 HG SER A 120 -17.749 5.129 -2.799 1.00 0.00 H new ATOM 1860 N LYS A 121 -18.512 7.906 1.634 1.00 0.00 N ATOM 1861 CA LYS A 121 -19.577 7.972 2.676 1.00 0.00 C ATOM 1862 C LYS A 121 -20.771 8.788 2.163 1.00 0.00 C ATOM 1863 O LYS A 121 -20.653 9.962 1.878 1.00 0.00 O ATOM 1864 CB LYS A 121 -18.915 8.669 3.866 1.00 0.00 C ATOM 1865 CG LYS A 121 -18.543 7.631 4.928 1.00 0.00 C ATOM 1866 CD LYS A 121 -17.593 6.589 4.329 1.00 0.00 C ATOM 1867 CE LYS A 121 -17.993 5.195 4.819 1.00 0.00 C ATOM 1868 NZ LYS A 121 -18.065 4.357 3.588 1.00 0.00 N ATOM 0 H LYS A 121 -17.566 8.094 1.967 1.00 0.00 H new ATOM 0 HA LYS A 121 -19.962 6.988 2.942 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -18.024 9.203 3.537 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -19.593 9.410 4.289 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -18.069 8.122 5.778 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -19.443 7.143 5.303 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -17.632 6.629 3.240 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -16.566 6.808 4.620 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -17.261 4.799 5.523 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -18.952 5.219 5.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -18.334 3.386 3.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -18.775 4.753 2.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -17.136 4.347 3.120 1.00 0.00 H new ATOM 1882 N GLU A 122 -21.911 8.161 2.025 1.00 0.00 N ATOM 1883 CA GLU A 122 -23.117 8.879 1.516 1.00 0.00 C ATOM 1884 C GLU A 122 -22.715 9.775 0.351 1.00 0.00 C ATOM 1885 O GLU A 122 -23.309 10.806 0.104 1.00 0.00 O ATOM 1886 CB GLU A 122 -23.649 9.697 2.701 1.00 0.00 C ATOM 1887 CG GLU A 122 -22.748 10.904 2.971 1.00 0.00 C ATOM 1888 CD GLU A 122 -23.555 11.983 3.692 1.00 0.00 C ATOM 1889 OE1 GLU A 122 -24.295 11.635 4.598 1.00 0.00 O ATOM 1890 OE2 GLU A 122 -23.423 13.139 3.325 1.00 0.00 O ATOM 0 H GLU A 122 -22.059 7.176 2.245 1.00 0.00 H new ATOM 0 HA GLU A 122 -23.886 8.200 1.147 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -24.664 10.034 2.491 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -23.700 9.068 3.590 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -21.893 10.606 3.578 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -22.353 11.295 2.033 1.00 0.00 H new ATOM 1897 N VAL A 123 -21.703 9.378 -0.364 1.00 0.00 N ATOM 1898 CA VAL A 123 -21.235 10.184 -1.519 1.00 0.00 C ATOM 1899 C VAL A 123 -21.110 11.656 -1.124 1.00 0.00 C ATOM 1900 O VAL A 123 -21.266 12.496 -1.993 1.00 0.00 O ATOM 1901 CB VAL A 123 -22.302 10.003 -2.591 1.00 0.00 C ATOM 1902 CG1 VAL A 123 -21.769 10.492 -3.939 1.00 0.00 C ATOM 1903 CG2 VAL A 123 -22.675 8.523 -2.699 1.00 0.00 C ATOM 0 H VAL A 123 -21.176 8.521 -0.195 1.00 0.00 H new ATOM 0 HA VAL A 123 -20.252 9.868 -1.869 1.00 0.00 H new ATOM 0 HB VAL A 123 -23.184 10.582 -2.319 1.00 0.00 H new ATOM 0 HG11 VAL A 123 -22.536 10.361 -4.703 1.00 0.00 H new ATOM 0 HG12 VAL A 123 -21.507 11.548 -3.865 1.00 0.00 H new ATOM 0 HG13 VAL A 123 -20.884 9.917 -4.211 1.00 0.00 H new ATOM 0 HG21 VAL A 123 -23.438 8.395 -3.466 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -21.791 7.944 -2.966 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -23.061 8.174 -1.741 1.00 0.00 H new TER 1913 VAL A 123