USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 668 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 9 ASN : amide:sc= -0.138 K(o=-3.4,f=-4.2) USER MOD Set 1.2: A 36 CYS SG : rot 35:sc= -3.24! USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0141 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl -120:sc= -3.43! (180deg=-5.35!) USER MOD Single : A 13 SER OG : rot 176:sc= 1.27 USER MOD Single : A 28 GLN : amide:sc= -0.163 X(o=-0.16,f=-0.16) USER MOD Single : A 29 LYS NZ :NH3+ -146:sc= -0.232 (180deg=-1.29!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0428 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 41:sc= 0.291 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.313 K(o=-0.31,f=-2.3!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -1.89! C(o=-1.9!,f=-3!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 30:sc=-0.00485 USER MOD Single : A 70 CYS SG : rot 80:sc= -0.502 USER MOD Single : A 73 LYS NZ :NH3+ -108:sc= 0.00887 (180deg=-0.74) USER MOD Single : A 74 GLN : amide:sc= -1.14 K(o=-1.1,f=-6.6!) USER MOD Single : A 79 SER OG : rot -72:sc= 0.0173 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ -141:sc= 0.524 (180deg=0.0622) USER MOD Single : A 90 SER OG : rot 180:sc= 0.047 USER MOD Single : A 93 SER OG : rot 180:sc= 0.055 USER MOD Single : A 94 SER OG : rot 180:sc= -0.773 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.295 3.570 8.870 1.00 0.00 N ATOM 2 CA GLY A 1 16.355 3.342 9.893 1.00 0.00 C ATOM 3 C GLY A 1 16.870 1.917 9.886 1.00 0.00 C ATOM 4 O GLY A 1 16.373 1.066 10.624 1.00 0.00 O ATOM 0 H1 GLY A 1 14.976 4.559 8.915 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.678 3.372 7.923 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.491 2.938 9.057 1.00 0.00 H new ATOM 0 HA2 GLY A 1 17.184 4.026 9.711 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.959 3.577 10.881 1.00 0.00 H new ATOM 10 N SER A 2 17.869 1.654 9.050 1.00 0.00 N ATOM 11 CA SER A 2 18.452 0.321 8.950 1.00 0.00 C ATOM 12 C SER A 2 17.404 -0.701 8.519 1.00 0.00 C ATOM 13 O SER A 2 16.206 -0.420 8.534 1.00 0.00 O ATOM 14 CB SER A 2 19.065 -0.092 10.289 1.00 0.00 C ATOM 15 OG SER A 2 19.569 1.033 10.988 1.00 0.00 O ATOM 0 H SER A 2 18.292 2.346 8.432 1.00 0.00 H new ATOM 0 HA SER A 2 19.236 0.350 8.193 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.313 -0.595 10.897 1.00 0.00 H new ATOM 0 HB3 SER A 2 19.869 -0.808 10.119 1.00 0.00 H new ATOM 0 HG SER A 2 19.954 0.743 11.841 1.00 0.00 H new ATOM 21 N SER A 3 17.865 -1.887 8.137 1.00 0.00 N ATOM 22 CA SER A 3 16.968 -2.951 7.702 1.00 0.00 C ATOM 23 C SER A 3 17.701 -4.287 7.636 1.00 0.00 C ATOM 24 O SER A 3 18.774 -4.389 7.040 1.00 0.00 O ATOM 25 CB SER A 3 16.371 -2.616 6.335 1.00 0.00 C ATOM 26 OG SER A 3 17.250 -1.802 5.579 1.00 0.00 O ATOM 0 H SER A 3 18.854 -2.136 8.120 1.00 0.00 H new ATOM 0 HA SER A 3 16.163 -3.034 8.432 1.00 0.00 H new ATOM 0 HB2 SER A 3 16.164 -3.537 5.790 1.00 0.00 H new ATOM 0 HB3 SER A 3 15.418 -2.103 6.467 1.00 0.00 H new ATOM 0 HG SER A 3 16.845 -1.604 4.709 1.00 0.00 H new ATOM 32 N GLY A 4 17.116 -5.310 8.251 1.00 0.00 N ATOM 33 CA GLY A 4 17.729 -6.625 8.249 1.00 0.00 C ATOM 34 C GLY A 4 16.777 -7.709 8.718 1.00 0.00 C ATOM 35 O GLY A 4 16.144 -8.382 7.905 1.00 0.00 O ATOM 0 H GLY A 4 16.229 -5.252 8.751 1.00 0.00 H new ATOM 0 HA2 GLY A 4 18.075 -6.860 7.242 1.00 0.00 H new ATOM 0 HA3 GLY A 4 18.608 -6.614 8.893 1.00 0.00 H new ATOM 39 N SER A 5 16.677 -7.879 10.032 1.00 0.00 N ATOM 40 CA SER A 5 15.797 -8.888 10.607 1.00 0.00 C ATOM 41 C SER A 5 16.192 -10.286 10.138 1.00 0.00 C ATOM 42 O SER A 5 17.077 -10.441 9.296 1.00 0.00 O ATOM 43 CB SER A 5 14.343 -8.603 10.229 1.00 0.00 C ATOM 44 OG SER A 5 14.006 -7.249 10.478 1.00 0.00 O ATOM 0 H SER A 5 17.195 -7.331 10.719 1.00 0.00 H new ATOM 0 HA SER A 5 15.898 -8.846 11.692 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.187 -8.832 9.175 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.682 -9.256 10.798 1.00 0.00 H new ATOM 0 HG SER A 5 13.072 -7.093 10.226 1.00 0.00 H new ATOM 50 N SER A 6 15.529 -11.298 10.688 1.00 0.00 N ATOM 51 CA SER A 6 15.810 -12.682 10.325 1.00 0.00 C ATOM 52 C SER A 6 14.521 -13.437 10.024 1.00 0.00 C ATOM 53 O SER A 6 14.427 -14.643 10.255 1.00 0.00 O ATOM 54 CB SER A 6 16.574 -13.381 11.451 1.00 0.00 C ATOM 55 OG SER A 6 16.092 -12.980 12.721 1.00 0.00 O ATOM 0 H SER A 6 14.794 -11.186 11.386 1.00 0.00 H new ATOM 0 HA SER A 6 16.426 -12.678 9.426 1.00 0.00 H new ATOM 0 HB2 SER A 6 16.475 -14.461 11.346 1.00 0.00 H new ATOM 0 HB3 SER A 6 17.636 -13.149 11.372 1.00 0.00 H new ATOM 0 HG SER A 6 16.596 -13.442 13.423 1.00 0.00 H new ATOM 61 N GLY A 7 13.528 -12.721 9.507 1.00 0.00 N ATOM 62 CA GLY A 7 12.256 -13.341 9.183 1.00 0.00 C ATOM 63 C GLY A 7 11.087 -12.392 9.361 1.00 0.00 C ATOM 64 O GLY A 7 11.175 -11.215 9.009 1.00 0.00 O ATOM 0 H GLY A 7 13.581 -11.722 9.306 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.280 -13.694 8.152 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.110 -14.216 9.817 1.00 0.00 H new ATOM 68 N GLY A 8 9.990 -12.905 9.909 1.00 0.00 N ATOM 69 CA GLY A 8 8.815 -12.082 10.123 1.00 0.00 C ATOM 70 C GLY A 8 7.817 -12.186 8.985 1.00 0.00 C ATOM 71 O GLY A 8 7.183 -13.224 8.800 1.00 0.00 O ATOM 0 H GLY A 8 9.894 -13.875 10.208 1.00 0.00 H new ATOM 0 HA2 GLY A 8 8.332 -12.379 11.054 1.00 0.00 H new ATOM 0 HA3 GLY A 8 9.120 -11.042 10.240 1.00 0.00 H new ATOM 75 N ASN A 9 7.680 -11.106 8.223 1.00 0.00 N ATOM 76 CA ASN A 9 6.753 -11.080 7.096 1.00 0.00 C ATOM 77 C ASN A 9 7.346 -11.797 5.887 1.00 0.00 C ATOM 78 O ASN A 9 8.536 -12.110 5.862 1.00 0.00 O ATOM 79 CB ASN A 9 6.405 -9.636 6.729 1.00 0.00 C ATOM 80 CG ASN A 9 4.929 -9.455 6.430 1.00 0.00 C ATOM 81 OD1 ASN A 9 4.494 -9.597 5.287 1.00 0.00 O ATOM 82 ND2 ASN A 9 4.152 -9.139 7.458 1.00 0.00 N ATOM 0 H ASN A 9 8.198 -10.239 8.364 1.00 0.00 H new ATOM 0 HA ASN A 9 5.843 -11.601 7.393 1.00 0.00 H new ATOM 0 HB2 ASN A 9 6.690 -8.977 7.549 1.00 0.00 H new ATOM 0 HB3 ASN A 9 6.989 -9.334 5.859 1.00 0.00 H new ATOM 0 HD21 ASN A 9 3.151 -9.004 7.318 1.00 0.00 H new ATOM 0 HD22 ASN A 9 4.556 -9.031 8.388 1.00 0.00 H new ATOM 89 N LEU A 10 6.510 -12.053 4.887 1.00 0.00 N ATOM 90 CA LEU A 10 6.952 -12.733 3.676 1.00 0.00 C ATOM 91 C LEU A 10 7.203 -11.735 2.550 1.00 0.00 C ATOM 92 O LEU A 10 8.155 -11.877 1.782 1.00 0.00 O ATOM 93 CB LEU A 10 5.912 -13.766 3.238 1.00 0.00 C ATOM 94 CG LEU A 10 6.485 -15.114 2.794 1.00 0.00 C ATOM 95 CD1 LEU A 10 6.637 -16.047 3.984 1.00 0.00 C ATOM 96 CD2 LEU A 10 5.598 -15.744 1.730 1.00 0.00 C ATOM 0 H LEU A 10 5.522 -11.800 4.891 1.00 0.00 H new ATOM 0 HA LEU A 10 7.889 -13.243 3.898 1.00 0.00 H new ATOM 0 HB2 LEU A 10 5.221 -13.936 4.064 1.00 0.00 H new ATOM 0 HB3 LEU A 10 5.330 -13.348 2.417 1.00 0.00 H new ATOM 0 HG LEU A 10 7.472 -14.945 2.364 1.00 0.00 H new ATOM 0 HD11 LEU A 10 7.046 -17.000 3.649 1.00 0.00 H new ATOM 0 HD12 LEU A 10 7.312 -15.599 4.714 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.663 -16.212 4.444 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.020 -16.702 1.425 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.598 -15.900 2.135 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.540 -15.082 0.866 1.00 0.00 H new ATOM 108 N MET A 11 6.343 -10.726 2.457 1.00 0.00 N ATOM 109 CA MET A 11 6.472 -9.705 1.424 1.00 0.00 C ATOM 110 C MET A 11 7.180 -8.467 1.966 1.00 0.00 C ATOM 111 O MET A 11 8.191 -8.027 1.418 1.00 0.00 O ATOM 112 CB MET A 11 5.094 -9.322 0.881 1.00 0.00 C ATOM 113 CG MET A 11 4.605 -10.234 -0.232 1.00 0.00 C ATOM 114 SD MET A 11 4.505 -11.960 0.279 1.00 0.00 S ATOM 115 CE MET A 11 3.242 -11.866 1.546 1.00 0.00 C ATOM 0 H MET A 11 5.550 -10.594 3.084 1.00 0.00 H new ATOM 0 HA MET A 11 7.072 -10.118 0.614 1.00 0.00 H new ATOM 0 HB2 MET A 11 4.373 -9.340 1.698 1.00 0.00 H new ATOM 0 HB3 MET A 11 5.130 -8.297 0.511 1.00 0.00 H new ATOM 0 HG2 MET A 11 3.622 -9.900 -0.565 1.00 0.00 H new ATOM 0 HG3 MET A 11 5.276 -10.150 -1.087 1.00 0.00 H new ATOM 0 HE1 MET A 11 3.653 -12.207 2.496 1.00 0.00 H new ATOM 0 HE2 MET A 11 2.904 -10.835 1.647 1.00 0.00 H new ATOM 0 HE3 MET A 11 2.399 -12.499 1.267 1.00 0.00 H new ATOM 125 N LEU A 12 6.643 -7.908 3.046 1.00 0.00 N ATOM 126 CA LEU A 12 7.222 -6.721 3.662 1.00 0.00 C ATOM 127 C LEU A 12 8.661 -6.980 4.100 1.00 0.00 C ATOM 128 O LEU A 12 9.486 -6.066 4.125 1.00 0.00 O ATOM 129 CB LEU A 12 6.384 -6.283 4.864 1.00 0.00 C ATOM 130 CG LEU A 12 5.125 -5.485 4.520 1.00 0.00 C ATOM 131 CD1 LEU A 12 4.383 -5.087 5.787 1.00 0.00 C ATOM 132 CD2 LEU A 12 5.484 -4.254 3.702 1.00 0.00 C ATOM 0 H LEU A 12 5.807 -8.259 3.513 1.00 0.00 H new ATOM 0 HA LEU A 12 7.225 -5.924 2.919 1.00 0.00 H new ATOM 0 HB2 LEU A 12 6.091 -7.170 5.426 1.00 0.00 H new ATOM 0 HB3 LEU A 12 7.009 -5.680 5.523 1.00 0.00 H new ATOM 0 HG LEU A 12 4.468 -6.117 3.922 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.490 -4.520 5.523 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.095 -5.983 6.336 1.00 0.00 H new ATOM 0 HD13 LEU A 12 5.032 -4.472 6.411 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.577 -3.697 3.465 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.160 -3.620 4.276 1.00 0.00 H new ATOM 0 HD23 LEU A 12 5.973 -4.561 2.777 1.00 0.00 H new ATOM 144 N SER A 13 8.955 -8.229 4.444 1.00 0.00 N ATOM 145 CA SER A 13 10.294 -8.606 4.881 1.00 0.00 C ATOM 146 C SER A 13 11.217 -8.823 3.686 1.00 0.00 C ATOM 147 O SER A 13 12.421 -8.582 3.767 1.00 0.00 O ATOM 148 CB SER A 13 10.236 -9.876 5.732 1.00 0.00 C ATOM 149 OG SER A 13 11.161 -9.815 6.804 1.00 0.00 O ATOM 0 H SER A 13 8.284 -8.997 4.429 1.00 0.00 H new ATOM 0 HA SER A 13 10.695 -7.791 5.483 1.00 0.00 H new ATOM 0 HB2 SER A 13 9.228 -10.008 6.125 1.00 0.00 H new ATOM 0 HB3 SER A 13 10.452 -10.744 5.110 1.00 0.00 H new ATOM 0 HG SER A 13 11.055 -10.606 7.373 1.00 0.00 H new ATOM 155 N ALA A 14 10.643 -9.279 2.578 1.00 0.00 N ATOM 156 CA ALA A 14 11.413 -9.527 1.365 1.00 0.00 C ATOM 157 C ALA A 14 11.891 -8.221 0.739 1.00 0.00 C ATOM 158 O ALA A 14 12.958 -8.167 0.130 1.00 0.00 O ATOM 159 CB ALA A 14 10.584 -10.321 0.367 1.00 0.00 C ATOM 0 H ALA A 14 9.647 -9.484 2.495 1.00 0.00 H new ATOM 0 HA ALA A 14 12.292 -10.111 1.637 1.00 0.00 H new ATOM 0 HB1 ALA A 14 11.171 -10.499 -0.534 1.00 0.00 H new ATOM 0 HB2 ALA A 14 10.299 -11.276 0.809 1.00 0.00 H new ATOM 0 HB3 ALA A 14 9.687 -9.758 0.110 1.00 0.00 H new ATOM 165 N LEU A 15 11.092 -7.170 0.895 1.00 0.00 N ATOM 166 CA LEU A 15 11.433 -5.863 0.345 1.00 0.00 C ATOM 167 C LEU A 15 12.141 -5.003 1.387 1.00 0.00 C ATOM 168 O LEU A 15 13.273 -4.566 1.181 1.00 0.00 O ATOM 169 CB LEU A 15 10.174 -5.151 -0.152 1.00 0.00 C ATOM 170 CG LEU A 15 9.348 -5.934 -1.175 1.00 0.00 C ATOM 171 CD1 LEU A 15 7.965 -5.320 -1.324 1.00 0.00 C ATOM 172 CD2 LEU A 15 10.064 -5.975 -2.516 1.00 0.00 C ATOM 0 H LEU A 15 10.205 -7.198 1.397 1.00 0.00 H new ATOM 0 HA LEU A 15 12.110 -6.015 -0.495 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.541 -4.924 0.706 1.00 0.00 H new ATOM 0 HB3 LEU A 15 10.465 -4.198 -0.595 1.00 0.00 H new ATOM 0 HG LEU A 15 9.232 -6.957 -0.817 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.391 -5.889 -2.055 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.452 -5.342 -0.363 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.060 -4.288 -1.661 1.00 0.00 H new ATOM 0 HD21 LEU A 15 9.463 -6.536 -3.232 1.00 0.00 H new ATOM 0 HD22 LEU A 15 10.210 -4.959 -2.882 1.00 0.00 H new ATOM 0 HD23 LEU A 15 11.033 -6.460 -2.397 1.00 0.00 H new ATOM 184 N GLY A 16 11.466 -4.764 2.507 1.00 0.00 N ATOM 185 CA GLY A 16 12.045 -3.956 3.565 1.00 0.00 C ATOM 186 C GLY A 16 11.173 -2.773 3.936 1.00 0.00 C ATOM 187 O GLY A 16 11.673 -1.675 4.173 1.00 0.00 O ATOM 0 H GLY A 16 10.528 -5.115 2.701 1.00 0.00 H new ATOM 0 HA2 GLY A 16 12.203 -4.577 4.447 1.00 0.00 H new ATOM 0 HA3 GLY A 16 13.024 -3.596 3.249 1.00 0.00 H new ATOM 191 N LEU A 17 9.864 -2.998 3.984 1.00 0.00 N ATOM 192 CA LEU A 17 8.918 -1.942 4.328 1.00 0.00 C ATOM 193 C LEU A 17 7.978 -2.393 5.439 1.00 0.00 C ATOM 194 O LEU A 17 7.839 -3.588 5.702 1.00 0.00 O ATOM 195 CB LEU A 17 8.111 -1.532 3.095 1.00 0.00 C ATOM 196 CG LEU A 17 7.268 -0.266 3.266 1.00 0.00 C ATOM 197 CD1 LEU A 17 8.148 0.914 3.645 1.00 0.00 C ATOM 198 CD2 LEU A 17 6.492 0.032 1.991 1.00 0.00 C ATOM 0 H LEU A 17 9.434 -3.902 3.789 1.00 0.00 H new ATOM 0 HA LEU A 17 9.485 -1.083 4.685 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.798 -1.383 2.262 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.452 -2.355 2.821 1.00 0.00 H new ATOM 0 HG LEU A 17 6.554 -0.433 4.072 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.531 1.805 3.762 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.659 0.700 4.584 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.886 1.084 2.861 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.898 0.935 2.129 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.190 0.179 1.167 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.832 -0.805 1.763 1.00 0.00 H new ATOM 210 N ARG A 18 7.333 -1.429 6.089 1.00 0.00 N ATOM 211 CA ARG A 18 6.403 -1.728 7.172 1.00 0.00 C ATOM 212 C ARG A 18 5.055 -1.057 6.931 1.00 0.00 C ATOM 213 O ARG A 18 4.951 -0.115 6.145 1.00 0.00 O ATOM 214 CB ARG A 18 6.982 -1.266 8.511 1.00 0.00 C ATOM 215 CG ARG A 18 6.567 -2.139 9.686 1.00 0.00 C ATOM 216 CD ARG A 18 6.158 -1.302 10.887 1.00 0.00 C ATOM 217 NE ARG A 18 5.172 -1.986 11.721 1.00 0.00 N ATOM 218 CZ ARG A 18 5.455 -3.024 12.504 1.00 0.00 C ATOM 219 NH1 ARG A 18 6.692 -3.501 12.564 1.00 0.00 N ATOM 220 NH2 ARG A 18 4.498 -3.586 13.229 1.00 0.00 N ATOM 0 H ARG A 18 7.437 -0.435 5.885 1.00 0.00 H new ATOM 0 HA ARG A 18 6.253 -2.807 7.201 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.070 -1.255 8.443 1.00 0.00 H new ATOM 0 HB3 ARG A 18 6.664 -0.241 8.701 1.00 0.00 H new ATOM 0 HG2 ARG A 18 5.737 -2.780 9.389 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.393 -2.795 9.963 1.00 0.00 H new ATOM 0 HD2 ARG A 18 7.040 -1.070 11.484 1.00 0.00 H new ATOM 0 HD3 ARG A 18 5.747 -0.353 10.544 1.00 0.00 H new ATOM 0 HE ARG A 18 4.210 -1.648 11.702 1.00 0.00 H new ATOM 0 HH11 ARG A 18 7.432 -3.072 12.008 1.00 0.00 H new ATOM 0 HH12 ARG A 18 6.903 -4.297 13.166 1.00 0.00 H new ATOM 0 HH21 ARG A 18 3.546 -3.223 13.186 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.714 -4.382 13.830 1.00 0.00 H new ATOM 234 N LEU A 19 4.025 -1.548 7.610 1.00 0.00 N ATOM 235 CA LEU A 19 2.682 -0.995 7.469 1.00 0.00 C ATOM 236 C LEU A 19 2.552 0.316 8.236 1.00 0.00 C ATOM 237 O LEU A 19 3.228 0.529 9.242 1.00 0.00 O ATOM 238 CB LEU A 19 1.640 -1.998 7.969 1.00 0.00 C ATOM 239 CG LEU A 19 1.756 -3.402 7.375 1.00 0.00 C ATOM 240 CD1 LEU A 19 1.287 -4.446 8.377 1.00 0.00 C ATOM 241 CD2 LEU A 19 0.958 -3.502 6.083 1.00 0.00 C ATOM 0 H LEU A 19 4.093 -2.328 8.264 1.00 0.00 H new ATOM 0 HA LEU A 19 2.506 -0.796 6.412 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.720 -2.071 9.054 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.647 -1.607 7.748 1.00 0.00 H new ATOM 0 HG LEU A 19 2.804 -3.594 7.146 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.377 -5.439 7.937 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.902 -4.390 9.275 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.246 -4.258 8.638 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.052 -4.508 5.674 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.092 -3.290 6.286 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.341 -2.780 5.362 1.00 0.00 H new ATOM 253 N GLY A 20 1.678 1.193 7.754 1.00 0.00 N ATOM 254 CA GLY A 20 1.474 2.473 8.407 1.00 0.00 C ATOM 255 C GLY A 20 2.282 3.585 7.766 1.00 0.00 C ATOM 256 O GLY A 20 1.873 4.747 7.784 1.00 0.00 O ATOM 0 H GLY A 20 1.107 1.040 6.923 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.415 2.731 8.373 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.748 2.389 9.459 1.00 0.00 H new ATOM 260 N ASP A 21 3.430 3.231 7.200 1.00 0.00 N ATOM 261 CA ASP A 21 4.297 4.209 6.552 1.00 0.00 C ATOM 262 C ASP A 21 3.728 4.629 5.200 1.00 0.00 C ATOM 263 O ASP A 21 2.789 4.016 4.694 1.00 0.00 O ATOM 264 CB ASP A 21 5.703 3.633 6.370 1.00 0.00 C ATOM 265 CG ASP A 21 6.785 4.671 6.591 1.00 0.00 C ATOM 266 OD1 ASP A 21 6.983 5.084 7.753 1.00 0.00 O ATOM 267 OD2 ASP A 21 7.434 5.072 5.603 1.00 0.00 O ATOM 0 H ASP A 21 3.782 2.274 7.176 1.00 0.00 H new ATOM 0 HA ASP A 21 4.352 5.090 7.192 1.00 0.00 H new ATOM 0 HB2 ASP A 21 5.848 2.807 7.067 1.00 0.00 H new ATOM 0 HB3 ASP A 21 5.797 3.222 5.365 1.00 0.00 H new ATOM 272 N ARG A 22 4.305 5.676 4.622 1.00 0.00 N ATOM 273 CA ARG A 22 3.855 6.178 3.329 1.00 0.00 C ATOM 274 C ARG A 22 4.664 5.558 2.194 1.00 0.00 C ATOM 275 O ARG A 22 5.836 5.221 2.366 1.00 0.00 O ATOM 276 CB ARG A 22 3.971 7.703 3.281 1.00 0.00 C ATOM 277 CG ARG A 22 2.673 8.422 3.612 1.00 0.00 C ATOM 278 CD ARG A 22 2.709 9.027 5.006 1.00 0.00 C ATOM 279 NE ARG A 22 3.047 10.448 4.979 1.00 0.00 N ATOM 280 CZ ARG A 22 3.419 11.142 6.052 1.00 0.00 C ATOM 281 NH1 ARG A 22 3.500 10.552 7.237 1.00 0.00 N ATOM 282 NH2 ARG A 22 3.709 12.432 5.938 1.00 0.00 N ATOM 0 H ARG A 22 5.085 6.194 5.028 1.00 0.00 H new ATOM 0 HA ARG A 22 2.810 5.897 3.202 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.743 8.023 3.981 1.00 0.00 H new ATOM 0 HB3 ARG A 22 4.299 8.003 2.286 1.00 0.00 H new ATOM 0 HG2 ARG A 22 2.494 9.208 2.878 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.840 7.723 3.540 1.00 0.00 H new ATOM 0 HD2 ARG A 22 1.738 8.895 5.483 1.00 0.00 H new ATOM 0 HD3 ARG A 22 3.439 8.493 5.614 1.00 0.00 H new ATOM 0 HE ARG A 22 2.995 10.937 4.085 1.00 0.00 H new ATOM 0 HH11 ARG A 22 3.277 9.561 7.330 1.00 0.00 H new ATOM 0 HH12 ARG A 22 3.786 11.089 8.056 1.00 0.00 H new ATOM 0 HH21 ARG A 22 3.647 12.890 5.029 1.00 0.00 H new ATOM 0 HH22 ARG A 22 3.994 12.965 6.759 1.00 0.00 H new ATOM 296 N VAL A 23 4.031 5.410 1.036 1.00 0.00 N ATOM 297 CA VAL A 23 4.694 4.831 -0.127 1.00 0.00 C ATOM 298 C VAL A 23 4.490 5.701 -1.364 1.00 0.00 C ATOM 299 O VAL A 23 3.678 6.625 -1.358 1.00 0.00 O ATOM 300 CB VAL A 23 4.174 3.412 -0.421 1.00 0.00 C ATOM 301 CG1 VAL A 23 4.688 2.428 0.618 1.00 0.00 C ATOM 302 CG2 VAL A 23 2.653 3.400 -0.471 1.00 0.00 C ATOM 0 H VAL A 23 3.061 5.682 0.877 1.00 0.00 H new ATOM 0 HA VAL A 23 5.757 4.779 0.107 1.00 0.00 H new ATOM 0 HB VAL A 23 4.549 3.103 -1.397 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.310 1.431 0.393 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.778 2.415 0.599 1.00 0.00 H new ATOM 0 HG13 VAL A 23 4.345 2.731 1.607 1.00 0.00 H new ATOM 0 HG21 VAL A 23 2.304 2.389 -0.680 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.255 3.731 0.488 1.00 0.00 H new ATOM 0 HG23 VAL A 23 2.309 4.072 -1.257 1.00 0.00 H new ATOM 312 N LEU A 24 5.235 5.397 -2.423 1.00 0.00 N ATOM 313 CA LEU A 24 5.137 6.152 -3.667 1.00 0.00 C ATOM 314 C LEU A 24 4.603 5.275 -4.794 1.00 0.00 C ATOM 315 O LEU A 24 5.319 4.428 -5.329 1.00 0.00 O ATOM 316 CB LEU A 24 6.506 6.720 -4.051 1.00 0.00 C ATOM 317 CG LEU A 24 6.480 8.138 -4.625 1.00 0.00 C ATOM 318 CD1 LEU A 24 5.886 9.111 -3.619 1.00 0.00 C ATOM 319 CD2 LEU A 24 7.880 8.573 -5.029 1.00 0.00 C ATOM 0 H LEU A 24 5.912 4.634 -2.444 1.00 0.00 H new ATOM 0 HA LEU A 24 4.440 6.975 -3.511 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.146 6.713 -3.169 1.00 0.00 H new ATOM 0 HB3 LEU A 24 6.966 6.056 -4.783 1.00 0.00 H new ATOM 0 HG LEU A 24 5.849 8.139 -5.514 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.876 10.114 -4.045 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.867 8.809 -3.379 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.489 9.109 -2.711 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.844 9.584 -5.435 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.532 8.556 -4.156 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.269 7.891 -5.786 1.00 0.00 H new ATOM 331 N LEU A 25 3.339 5.484 -5.150 1.00 0.00 N ATOM 332 CA LEU A 25 2.708 4.712 -6.214 1.00 0.00 C ATOM 333 C LEU A 25 3.068 5.277 -7.585 1.00 0.00 C ATOM 334 O LEU A 25 2.873 6.463 -7.849 1.00 0.00 O ATOM 335 CB LEU A 25 1.189 4.705 -6.037 1.00 0.00 C ATOM 336 CG LEU A 25 0.702 4.348 -4.631 1.00 0.00 C ATOM 337 CD1 LEU A 25 -0.808 4.505 -4.533 1.00 0.00 C ATOM 338 CD2 LEU A 25 1.118 2.930 -4.268 1.00 0.00 C ATOM 0 H LEU A 25 2.733 6.181 -4.717 1.00 0.00 H new ATOM 0 HA LEU A 25 3.079 3.689 -6.153 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.803 5.690 -6.299 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.759 3.996 -6.745 1.00 0.00 H new ATOM 0 HG LEU A 25 1.164 5.034 -3.921 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.136 4.247 -3.526 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.081 5.538 -4.750 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.290 3.843 -5.253 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.764 2.692 -3.265 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.684 2.230 -4.982 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.205 2.851 -4.297 1.00 0.00 H new ATOM 350 N ASP A 26 3.596 4.419 -8.452 1.00 0.00 N ATOM 351 CA ASP A 26 3.985 4.833 -9.796 1.00 0.00 C ATOM 352 C ASP A 26 5.046 5.929 -9.746 1.00 0.00 C ATOM 353 O ASP A 26 5.163 6.735 -10.669 1.00 0.00 O ATOM 354 CB ASP A 26 2.762 5.326 -10.573 1.00 0.00 C ATOM 355 CG ASP A 26 2.782 4.881 -12.022 1.00 0.00 C ATOM 356 OD1 ASP A 26 3.550 5.469 -12.813 1.00 0.00 O ATOM 357 OD2 ASP A 26 2.029 3.945 -12.367 1.00 0.00 O ATOM 0 H ASP A 26 3.764 3.434 -8.249 1.00 0.00 H new ATOM 0 HA ASP A 26 4.409 3.968 -10.306 1.00 0.00 H new ATOM 0 HB2 ASP A 26 1.856 4.955 -10.094 1.00 0.00 H new ATOM 0 HB3 ASP A 26 2.722 6.414 -10.530 1.00 0.00 H new ATOM 362 N GLY A 27 5.819 5.952 -8.664 1.00 0.00 N ATOM 363 CA GLY A 27 6.861 6.953 -8.517 1.00 0.00 C ATOM 364 C GLY A 27 6.334 8.369 -8.640 1.00 0.00 C ATOM 365 O GLY A 27 6.944 9.211 -9.299 1.00 0.00 O ATOM 0 H GLY A 27 5.743 5.296 -7.887 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.341 6.832 -7.546 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.627 6.788 -9.274 1.00 0.00 H new ATOM 369 N GLN A 28 5.197 8.633 -8.005 1.00 0.00 N ATOM 370 CA GLN A 28 4.589 9.958 -8.047 1.00 0.00 C ATOM 371 C GLN A 28 3.494 10.089 -6.992 1.00 0.00 C ATOM 372 O GLN A 28 3.631 10.848 -6.032 1.00 0.00 O ATOM 373 CB GLN A 28 4.012 10.234 -9.439 1.00 0.00 C ATOM 374 CG GLN A 28 4.595 11.470 -10.104 1.00 0.00 C ATOM 375 CD GLN A 28 4.436 12.717 -9.257 1.00 0.00 C ATOM 376 OE1 GLN A 28 3.322 13.191 -9.033 1.00 0.00 O ATOM 377 NE2 GLN A 28 5.552 13.255 -8.780 1.00 0.00 N ATOM 0 H GLN A 28 4.678 7.948 -7.456 1.00 0.00 H new ATOM 0 HA GLN A 28 5.364 10.693 -7.831 1.00 0.00 H new ATOM 0 HB2 GLN A 28 4.193 9.369 -10.077 1.00 0.00 H new ATOM 0 HB3 GLN A 28 2.931 10.350 -9.359 1.00 0.00 H new ATOM 0 HG2 GLN A 28 5.653 11.305 -10.306 1.00 0.00 H new ATOM 0 HG3 GLN A 28 4.107 11.624 -11.067 1.00 0.00 H new ATOM 0 HE21 GLN A 28 6.454 12.829 -8.991 1.00 0.00 H new ATOM 0 HE22 GLN A 28 5.507 14.095 -8.203 1.00 0.00 H new ATOM 386 N LYS A 29 2.409 9.345 -7.177 1.00 0.00 N ATOM 387 CA LYS A 29 1.290 9.378 -6.240 1.00 0.00 C ATOM 388 C LYS A 29 1.737 8.956 -4.844 1.00 0.00 C ATOM 389 O LYS A 29 2.455 7.970 -4.683 1.00 0.00 O ATOM 390 CB LYS A 29 0.164 8.465 -6.727 1.00 0.00 C ATOM 391 CG LYS A 29 -0.803 9.145 -7.681 1.00 0.00 C ATOM 392 CD LYS A 29 -0.198 9.308 -9.066 1.00 0.00 C ATOM 393 CE LYS A 29 0.322 10.720 -9.285 1.00 0.00 C ATOM 394 NZ LYS A 29 -0.728 11.744 -9.030 1.00 0.00 N ATOM 0 H LYS A 29 2.280 8.712 -7.966 1.00 0.00 H new ATOM 0 HA LYS A 29 0.921 10.402 -6.188 1.00 0.00 H new ATOM 0 HB2 LYS A 29 0.600 7.598 -7.223 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.390 8.094 -5.865 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.720 8.559 -7.750 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -1.078 10.123 -7.286 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.617 8.595 -9.194 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.948 9.074 -9.822 1.00 0.00 H new ATOM 0 HE2 LYS A 29 1.172 10.900 -8.627 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.685 10.819 -10.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.596 12.546 -9.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -1.667 11.325 -9.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -0.656 12.078 -8.048 1.00 0.00 H new ATOM 408 N THR A 30 1.304 9.709 -3.838 1.00 0.00 N ATOM 409 CA THR A 30 1.659 9.413 -2.455 1.00 0.00 C ATOM 410 C THR A 30 0.529 8.667 -1.752 1.00 0.00 C ATOM 411 O THR A 30 -0.603 9.146 -1.695 1.00 0.00 O ATOM 412 CB THR A 30 1.979 10.705 -1.702 1.00 0.00 C ATOM 413 OG1 THR A 30 1.251 11.794 -2.241 1.00 0.00 O ATOM 414 CG2 THR A 30 3.447 11.071 -1.738 1.00 0.00 C ATOM 0 H THR A 30 0.707 10.528 -3.955 1.00 0.00 H new ATOM 0 HA THR A 30 2.543 8.775 -2.460 1.00 0.00 H new ATOM 0 HB THR A 30 1.694 10.514 -0.667 1.00 0.00 H new ATOM 0 HG1 THR A 30 1.468 12.611 -1.745 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.605 11.997 -1.185 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.032 10.272 -1.282 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.763 11.208 -2.772 1.00 0.00 H new ATOM 422 N GLY A 31 0.845 7.492 -1.217 1.00 0.00 N ATOM 423 CA GLY A 31 -0.153 6.699 -0.525 1.00 0.00 C ATOM 424 C GLY A 31 0.347 6.166 0.803 1.00 0.00 C ATOM 425 O GLY A 31 1.504 6.378 1.167 1.00 0.00 O ATOM 0 H GLY A 31 1.775 7.075 -1.251 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -1.042 7.306 -0.357 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -0.452 5.864 -1.159 1.00 0.00 H new ATOM 429 N THR A 32 -0.526 5.475 1.527 1.00 0.00 N ATOM 430 CA THR A 32 -0.167 4.910 2.823 1.00 0.00 C ATOM 431 C THR A 32 -0.450 3.412 2.861 1.00 0.00 C ATOM 432 O THR A 32 -1.570 2.975 2.597 1.00 0.00 O ATOM 433 CB THR A 32 -0.937 5.615 3.940 1.00 0.00 C ATOM 434 OG1 THR A 32 -0.710 7.013 3.901 1.00 0.00 O ATOM 435 CG2 THR A 32 -0.564 5.129 5.324 1.00 0.00 C ATOM 0 H THR A 32 -1.487 5.292 1.239 1.00 0.00 H new ATOM 0 HA THR A 32 0.901 5.063 2.975 1.00 0.00 H new ATOM 0 HB THR A 32 -1.986 5.379 3.760 1.00 0.00 H new ATOM 0 HG1 THR A 32 -1.213 7.446 4.622 1.00 0.00 H new ATOM 0 HG21 THR A 32 -1.147 5.670 6.069 1.00 0.00 H new ATOM 0 HG22 THR A 32 -0.774 4.062 5.404 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.498 5.304 5.497 1.00 0.00 H new ATOM 443 N LEU A 33 0.571 2.630 3.192 1.00 0.00 N ATOM 444 CA LEU A 33 0.433 1.180 3.266 1.00 0.00 C ATOM 445 C LEU A 33 -0.486 0.779 4.416 1.00 0.00 C ATOM 446 O LEU A 33 -0.434 1.366 5.497 1.00 0.00 O ATOM 447 CB LEU A 33 1.804 0.524 3.439 1.00 0.00 C ATOM 448 CG LEU A 33 1.809 -1.002 3.343 1.00 0.00 C ATOM 449 CD1 LEU A 33 1.372 -1.451 1.957 1.00 0.00 C ATOM 450 CD2 LEU A 33 3.189 -1.551 3.674 1.00 0.00 C ATOM 0 H LEU A 33 1.505 2.976 3.414 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.011 0.834 2.333 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.479 0.923 2.681 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.208 0.813 4.409 1.00 0.00 H new ATOM 0 HG LEU A 33 1.099 -1.396 4.070 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.382 -2.540 1.907 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.364 -1.088 1.758 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.057 -1.048 1.211 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.175 -2.638 3.601 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.919 -1.149 2.971 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.463 -1.259 4.688 1.00 0.00 H new ATOM 462 N ARG A 34 -1.324 -0.223 4.176 1.00 0.00 N ATOM 463 CA ARG A 34 -2.253 -0.702 5.193 1.00 0.00 C ATOM 464 C ARG A 34 -2.198 -2.222 5.310 1.00 0.00 C ATOM 465 O ARG A 34 -2.016 -2.765 6.399 1.00 0.00 O ATOM 466 CB ARG A 34 -3.679 -0.257 4.861 1.00 0.00 C ATOM 467 CG ARG A 34 -3.856 1.253 4.842 1.00 0.00 C ATOM 468 CD ARG A 34 -5.054 1.688 5.672 1.00 0.00 C ATOM 469 NE ARG A 34 -4.706 1.881 7.078 1.00 0.00 N ATOM 470 CZ ARG A 34 -4.090 2.964 7.546 1.00 0.00 C ATOM 471 NH1 ARG A 34 -3.752 3.951 6.727 1.00 0.00 N ATOM 472 NH2 ARG A 34 -3.811 3.058 8.839 1.00 0.00 N ATOM 0 H ARG A 34 -1.379 -0.719 3.287 1.00 0.00 H new ATOM 0 HA ARG A 34 -1.957 -0.271 6.150 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -3.959 -0.660 3.888 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -4.364 -0.686 5.592 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -2.954 1.730 5.226 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -3.983 1.592 3.814 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -5.457 2.617 5.268 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -5.841 0.938 5.593 1.00 0.00 H new ATOM 0 HE ARG A 34 -4.949 1.143 7.739 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.964 3.883 5.732 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.280 4.778 7.093 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -4.068 2.301 9.473 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -3.339 3.887 9.200 1.00 0.00 H new ATOM 486 N PHE A 35 -2.358 -2.903 4.179 1.00 0.00 N ATOM 487 CA PHE A 35 -2.327 -4.361 4.155 1.00 0.00 C ATOM 488 C PHE A 35 -1.061 -4.867 3.472 1.00 0.00 C ATOM 489 O PHE A 35 -0.381 -4.120 2.768 1.00 0.00 O ATOM 490 CB PHE A 35 -3.562 -4.904 3.433 1.00 0.00 C ATOM 491 CG PHE A 35 -3.704 -6.397 3.527 1.00 0.00 C ATOM 492 CD1 PHE A 35 -4.392 -6.975 4.582 1.00 0.00 C ATOM 493 CD2 PHE A 35 -3.151 -7.220 2.560 1.00 0.00 C ATOM 494 CE1 PHE A 35 -4.525 -8.348 4.670 1.00 0.00 C ATOM 495 CE2 PHE A 35 -3.280 -8.594 2.643 1.00 0.00 C ATOM 496 CZ PHE A 35 -3.969 -9.158 3.700 1.00 0.00 C ATOM 0 H PHE A 35 -2.510 -2.469 3.269 1.00 0.00 H new ATOM 0 HA PHE A 35 -2.329 -4.718 5.185 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.453 -4.435 3.851 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -3.514 -4.617 2.383 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -4.829 -6.346 5.344 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -2.613 -6.783 1.732 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -5.063 -8.787 5.497 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -2.843 -9.225 1.883 1.00 0.00 H new ATOM 0 HZ PHE A 35 -4.072 -10.231 3.767 1.00 0.00 H new ATOM 506 N CYS A 36 -0.748 -6.141 3.686 1.00 0.00 N ATOM 507 CA CYS A 36 0.437 -6.748 3.091 1.00 0.00 C ATOM 508 C CYS A 36 0.268 -8.258 2.965 1.00 0.00 C ATOM 509 O CYS A 36 0.143 -8.965 3.964 1.00 0.00 O ATOM 510 CB CYS A 36 1.674 -6.429 3.932 1.00 0.00 C ATOM 511 SG CYS A 36 1.539 -6.931 5.665 1.00 0.00 S ATOM 0 H CYS A 36 -1.299 -6.773 4.267 1.00 0.00 H new ATOM 0 HA CYS A 36 0.568 -6.331 2.092 1.00 0.00 H new ATOM 0 HB2 CYS A 36 2.539 -6.922 3.488 1.00 0.00 H new ATOM 0 HB3 CYS A 36 1.862 -5.356 3.889 1.00 0.00 H new ATOM 0 HG CYS A 36 0.853 -8.032 5.746 1.00 0.00 H new ATOM 517 N GLY A 37 0.266 -8.745 1.728 1.00 0.00 N ATOM 518 CA GLY A 37 0.112 -10.169 1.493 1.00 0.00 C ATOM 519 C GLY A 37 -0.774 -10.467 0.299 1.00 0.00 C ATOM 520 O GLY A 37 -0.817 -9.694 -0.658 1.00 0.00 O ATOM 0 H GLY A 37 0.368 -8.180 0.885 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.093 -10.616 1.334 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.311 -10.637 2.382 1.00 0.00 H new ATOM 524 N THR A 38 -1.483 -11.589 0.356 1.00 0.00 N ATOM 525 CA THR A 38 -2.372 -11.987 -0.729 1.00 0.00 C ATOM 526 C THR A 38 -3.742 -11.332 -0.578 1.00 0.00 C ATOM 527 O THR A 38 -3.971 -10.556 0.350 1.00 0.00 O ATOM 528 CB THR A 38 -2.522 -13.509 -0.761 1.00 0.00 C ATOM 529 OG1 THR A 38 -2.965 -13.996 0.493 1.00 0.00 O ATOM 530 CG2 THR A 38 -1.236 -14.229 -1.106 1.00 0.00 C ATOM 0 H THR A 38 -1.459 -12.239 1.142 1.00 0.00 H new ATOM 0 HA THR A 38 -1.931 -11.653 -1.668 1.00 0.00 H new ATOM 0 HB THR A 38 -3.254 -13.711 -1.543 1.00 0.00 H new ATOM 0 HG1 THR A 38 -3.056 -14.971 0.452 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.412 -15.305 -1.112 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.895 -13.912 -2.091 1.00 0.00 H new ATOM 0 HG23 THR A 38 -0.475 -13.990 -0.364 1.00 0.00 H new ATOM 538 N THR A 39 -4.649 -11.652 -1.495 1.00 0.00 N ATOM 539 CA THR A 39 -5.997 -11.095 -1.464 1.00 0.00 C ATOM 540 C THR A 39 -7.044 -12.198 -1.579 1.00 0.00 C ATOM 541 O THR A 39 -6.708 -13.373 -1.727 1.00 0.00 O ATOM 542 CB THR A 39 -6.178 -10.084 -2.597 1.00 0.00 C ATOM 543 OG1 THR A 39 -5.486 -10.502 -3.759 1.00 0.00 O ATOM 544 CG2 THR A 39 -5.689 -8.696 -2.244 1.00 0.00 C ATOM 0 H THR A 39 -4.475 -12.294 -2.269 1.00 0.00 H new ATOM 0 HA THR A 39 -6.133 -10.589 -0.508 1.00 0.00 H new ATOM 0 HB THR A 39 -7.253 -10.039 -2.774 1.00 0.00 H new ATOM 0 HG1 THR A 39 -5.598 -11.468 -3.876 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.847 -8.028 -3.091 1.00 0.00 H new ATOM 0 HG22 THR A 39 -6.241 -8.324 -1.381 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.626 -8.734 -2.005 1.00 0.00 H new ATOM 552 N GLU A 40 -8.313 -11.812 -1.508 1.00 0.00 N ATOM 553 CA GLU A 40 -9.410 -12.767 -1.604 1.00 0.00 C ATOM 554 C GLU A 40 -9.905 -12.886 -3.042 1.00 0.00 C ATOM 555 O GLU A 40 -10.157 -13.986 -3.534 1.00 0.00 O ATOM 556 CB GLU A 40 -10.562 -12.349 -0.688 1.00 0.00 C ATOM 557 CG GLU A 40 -11.593 -13.444 -0.468 1.00 0.00 C ATOM 558 CD GLU A 40 -12.808 -13.288 -1.360 1.00 0.00 C ATOM 559 OE1 GLU A 40 -13.291 -12.146 -1.511 1.00 0.00 O ATOM 560 OE2 GLU A 40 -13.278 -14.308 -1.907 1.00 0.00 O ATOM 0 H GLU A 40 -8.607 -10.843 -1.384 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.038 -13.741 -1.286 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.156 -12.045 0.277 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -11.056 -11.477 -1.115 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.132 -14.414 -0.654 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -11.909 -13.436 0.575 1.00 0.00 H new ATOM 567 N PHE A 41 -10.042 -11.745 -3.710 1.00 0.00 N ATOM 568 CA PHE A 41 -10.508 -11.720 -5.092 1.00 0.00 C ATOM 569 C PHE A 41 -9.452 -12.295 -6.032 1.00 0.00 C ATOM 570 O PHE A 41 -9.781 -12.892 -7.058 1.00 0.00 O ATOM 571 CB PHE A 41 -10.855 -10.291 -5.509 1.00 0.00 C ATOM 572 CG PHE A 41 -9.697 -9.338 -5.408 1.00 0.00 C ATOM 573 CD1 PHE A 41 -8.840 -9.154 -6.482 1.00 0.00 C ATOM 574 CD2 PHE A 41 -9.468 -8.627 -4.241 1.00 0.00 C ATOM 575 CE1 PHE A 41 -7.774 -8.278 -6.392 1.00 0.00 C ATOM 576 CE2 PHE A 41 -8.403 -7.752 -4.146 1.00 0.00 C ATOM 577 CZ PHE A 41 -7.555 -7.577 -5.223 1.00 0.00 C ATOM 0 H PHE A 41 -9.837 -10.826 -3.317 1.00 0.00 H new ATOM 0 HA PHE A 41 -11.404 -12.338 -5.159 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -11.220 -10.299 -6.536 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -11.670 -9.927 -4.884 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -9.007 -9.701 -7.398 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -10.129 -8.758 -3.397 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -7.113 -8.142 -7.235 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -8.233 -7.205 -3.230 1.00 0.00 H new ATOM 0 HZ PHE A 41 -6.722 -6.893 -5.150 1.00 0.00 H new ATOM 587 N ALA A 42 -8.186 -12.111 -5.675 1.00 0.00 N ATOM 588 CA ALA A 42 -7.084 -12.612 -6.486 1.00 0.00 C ATOM 589 C ALA A 42 -6.026 -13.286 -5.619 1.00 0.00 C ATOM 590 O ALA A 42 -6.166 -13.363 -4.399 1.00 0.00 O ATOM 591 CB ALA A 42 -6.465 -11.479 -7.290 1.00 0.00 C ATOM 0 H ALA A 42 -7.898 -11.619 -4.829 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.481 -13.358 -7.174 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.643 -11.867 -7.892 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.220 -11.043 -7.945 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.088 -10.714 -6.611 1.00 0.00 H new ATOM 597 N SER A 43 -4.968 -13.774 -6.258 1.00 0.00 N ATOM 598 CA SER A 43 -3.886 -14.443 -5.545 1.00 0.00 C ATOM 599 C SER A 43 -2.527 -13.936 -6.017 1.00 0.00 C ATOM 600 O SER A 43 -2.311 -13.730 -7.212 1.00 0.00 O ATOM 601 CB SER A 43 -3.976 -15.958 -5.744 1.00 0.00 C ATOM 602 OG SER A 43 -3.460 -16.651 -4.621 1.00 0.00 O ATOM 0 H SER A 43 -4.837 -13.719 -7.268 1.00 0.00 H new ATOM 0 HA SER A 43 -3.989 -14.216 -4.484 1.00 0.00 H new ATOM 0 HB2 SER A 43 -5.015 -16.246 -5.907 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.422 -16.244 -6.638 1.00 0.00 H new ATOM 0 HG SER A 43 -3.530 -17.617 -4.772 1.00 0.00 H new ATOM 608 N GLY A 44 -1.614 -13.736 -5.073 1.00 0.00 N ATOM 609 CA GLY A 44 -0.288 -13.255 -5.413 1.00 0.00 C ATOM 610 C GLY A 44 0.227 -12.227 -4.424 1.00 0.00 C ATOM 611 O GLY A 44 -0.214 -12.186 -3.275 1.00 0.00 O ATOM 0 H GLY A 44 -1.769 -13.898 -4.078 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.403 -14.098 -5.449 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.309 -12.816 -6.411 1.00 0.00 H new ATOM 615 N GLN A 45 1.161 -11.395 -4.872 1.00 0.00 N ATOM 616 CA GLN A 45 1.737 -10.362 -4.018 1.00 0.00 C ATOM 617 C GLN A 45 0.979 -9.046 -4.169 1.00 0.00 C ATOM 618 O GLN A 45 1.108 -8.357 -5.180 1.00 0.00 O ATOM 619 CB GLN A 45 3.215 -10.156 -4.357 1.00 0.00 C ATOM 620 CG GLN A 45 4.159 -10.927 -3.448 1.00 0.00 C ATOM 621 CD GLN A 45 4.911 -12.022 -4.179 1.00 0.00 C ATOM 622 OE1 GLN A 45 5.033 -11.997 -5.405 1.00 0.00 O ATOM 623 NE2 GLN A 45 5.421 -12.993 -3.430 1.00 0.00 N ATOM 0 H GLN A 45 1.535 -11.415 -5.821 1.00 0.00 H new ATOM 0 HA GLN A 45 1.652 -10.692 -2.983 1.00 0.00 H new ATOM 0 HB2 GLN A 45 3.389 -10.460 -5.389 1.00 0.00 H new ATOM 0 HB3 GLN A 45 3.449 -9.093 -4.294 1.00 0.00 H new ATOM 0 HG2 GLN A 45 4.874 -10.235 -3.003 1.00 0.00 H new ATOM 0 HG3 GLN A 45 3.590 -11.367 -2.629 1.00 0.00 H new ATOM 0 HE21 GLN A 45 5.297 -12.975 -2.418 1.00 0.00 H new ATOM 0 HE22 GLN A 45 5.937 -13.757 -3.867 1.00 0.00 H new ATOM 632 N TRP A 46 0.189 -8.705 -3.156 1.00 0.00 N ATOM 633 CA TRP A 46 -0.589 -7.472 -3.176 1.00 0.00 C ATOM 634 C TRP A 46 -0.434 -6.710 -1.864 1.00 0.00 C ATOM 635 O TRP A 46 -0.142 -7.299 -0.823 1.00 0.00 O ATOM 636 CB TRP A 46 -2.067 -7.780 -3.429 1.00 0.00 C ATOM 637 CG TRP A 46 -2.335 -8.309 -4.805 1.00 0.00 C ATOM 638 CD1 TRP A 46 -2.164 -9.593 -5.237 1.00 0.00 C ATOM 639 CD2 TRP A 46 -2.822 -7.568 -5.929 1.00 0.00 C ATOM 640 NE1 TRP A 46 -2.516 -9.695 -6.562 1.00 0.00 N ATOM 641 CE2 TRP A 46 -2.923 -8.465 -7.009 1.00 0.00 C ATOM 642 CE3 TRP A 46 -3.184 -6.232 -6.127 1.00 0.00 C ATOM 643 CZ2 TRP A 46 -3.370 -8.070 -8.267 1.00 0.00 C ATOM 644 CZ3 TRP A 46 -3.628 -5.841 -7.377 1.00 0.00 C ATOM 645 CH2 TRP A 46 -3.718 -6.757 -8.433 1.00 0.00 C ATOM 0 H TRP A 46 0.071 -9.265 -2.312 1.00 0.00 H new ATOM 0 HA TRP A 46 -0.212 -6.847 -3.985 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -2.410 -8.508 -2.694 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -2.651 -6.873 -3.276 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -1.805 -10.409 -4.627 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -2.480 -10.547 -7.121 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -3.118 -5.519 -5.319 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -3.440 -8.775 -9.083 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -3.910 -4.812 -7.542 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -4.069 -6.420 -9.397 1.00 0.00 H new ATOM 656 N VAL A 47 -0.633 -5.398 -1.921 1.00 0.00 N ATOM 657 CA VAL A 47 -0.515 -4.556 -0.737 1.00 0.00 C ATOM 658 C VAL A 47 -1.539 -3.426 -0.761 1.00 0.00 C ATOM 659 O VAL A 47 -1.758 -2.795 -1.796 1.00 0.00 O ATOM 660 CB VAL A 47 0.896 -3.950 -0.616 1.00 0.00 C ATOM 661 CG1 VAL A 47 1.902 -5.016 -0.212 1.00 0.00 C ATOM 662 CG2 VAL A 47 1.306 -3.287 -1.923 1.00 0.00 C ATOM 0 H VAL A 47 -0.877 -4.895 -2.774 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.703 -5.196 0.125 1.00 0.00 H new ATOM 0 HB VAL A 47 0.879 -3.187 0.162 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.893 -4.569 -0.132 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.616 -5.440 0.750 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.919 -5.804 -0.965 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.305 -2.864 -1.819 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.307 -4.028 -2.722 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.600 -2.493 -2.165 1.00 0.00 H new ATOM 672 N GLY A 48 -2.163 -3.176 0.386 1.00 0.00 N ATOM 673 CA GLY A 48 -3.158 -2.123 0.474 1.00 0.00 C ATOM 674 C GLY A 48 -2.534 -0.749 0.624 1.00 0.00 C ATOM 675 O GLY A 48 -1.761 -0.509 1.552 1.00 0.00 O ATOM 0 H GLY A 48 -1.997 -3.683 1.255 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -3.781 -2.140 -0.420 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -3.813 -2.316 1.323 1.00 0.00 H new ATOM 679 N VAL A 49 -2.872 0.155 -0.289 1.00 0.00 N ATOM 680 CA VAL A 49 -2.341 1.512 -0.255 1.00 0.00 C ATOM 681 C VAL A 49 -3.461 2.542 -0.350 1.00 0.00 C ATOM 682 O VAL A 49 -4.353 2.429 -1.190 1.00 0.00 O ATOM 683 CB VAL A 49 -1.339 1.753 -1.400 1.00 0.00 C ATOM 684 CG1 VAL A 49 -0.651 3.099 -1.236 1.00 0.00 C ATOM 685 CG2 VAL A 49 -0.317 0.628 -1.461 1.00 0.00 C ATOM 0 H VAL A 49 -3.512 -0.028 -1.062 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.825 1.626 0.698 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.889 1.766 -2.341 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.053 3.250 -2.055 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.398 3.893 -1.248 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.114 3.120 -0.288 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.382 0.816 -2.276 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.228 0.580 -0.518 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.828 -0.319 -1.633 1.00 0.00 H new ATOM 695 N GLU A 50 -3.409 3.547 0.520 1.00 0.00 N ATOM 696 CA GLU A 50 -4.420 4.598 0.534 1.00 0.00 C ATOM 697 C GLU A 50 -3.871 5.890 -0.060 1.00 0.00 C ATOM 698 O GLU A 50 -2.948 6.494 0.487 1.00 0.00 O ATOM 699 CB GLU A 50 -4.908 4.842 1.965 1.00 0.00 C ATOM 700 CG GLU A 50 -6.418 4.755 2.115 1.00 0.00 C ATOM 701 CD GLU A 50 -6.853 4.608 3.561 1.00 0.00 C ATOM 702 OE1 GLU A 50 -6.726 5.590 4.322 1.00 0.00 O ATOM 703 OE2 GLU A 50 -7.321 3.511 3.932 1.00 0.00 O ATOM 0 H GLU A 50 -2.678 3.655 1.223 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.260 4.271 -0.078 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.443 4.113 2.628 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.575 5.827 2.291 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.874 5.650 1.692 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -6.788 3.906 1.540 1.00 0.00 H new ATOM 710 N LEU A 51 -4.444 6.310 -1.185 1.00 0.00 N ATOM 711 CA LEU A 51 -4.011 7.531 -1.853 1.00 0.00 C ATOM 712 C LEU A 51 -4.468 8.765 -1.083 1.00 0.00 C ATOM 713 O LEU A 51 -5.596 8.820 -0.593 1.00 0.00 O ATOM 714 CB LEU A 51 -4.556 7.576 -3.282 1.00 0.00 C ATOM 715 CG LEU A 51 -4.293 6.317 -4.116 1.00 0.00 C ATOM 716 CD1 LEU A 51 -5.596 5.599 -4.430 1.00 0.00 C ATOM 717 CD2 LEU A 51 -3.555 6.670 -5.400 1.00 0.00 C ATOM 0 H LEU A 51 -5.209 5.822 -1.652 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.922 7.530 -1.887 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.632 7.747 -3.239 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.117 8.432 -3.795 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.664 5.645 -3.531 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.387 4.708 -5.023 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.085 5.310 -3.500 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.251 6.264 -4.993 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.377 5.763 -5.979 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.158 7.363 -5.987 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.601 7.137 -5.155 1.00 0.00 H new ATOM 729 N ASP A 52 -3.586 9.753 -0.981 1.00 0.00 N ATOM 730 CA ASP A 52 -3.899 10.987 -0.269 1.00 0.00 C ATOM 731 C ASP A 52 -5.015 11.752 -0.972 1.00 0.00 C ATOM 732 O ASP A 52 -5.983 12.176 -0.341 1.00 0.00 O ATOM 733 CB ASP A 52 -2.653 11.868 -0.160 1.00 0.00 C ATOM 734 CG ASP A 52 -2.731 12.837 1.004 1.00 0.00 C ATOM 735 OD1 ASP A 52 -3.099 12.402 2.116 1.00 0.00 O ATOM 736 OD2 ASP A 52 -2.423 14.031 0.803 1.00 0.00 O ATOM 0 H ASP A 52 -2.649 9.724 -1.382 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.238 10.723 0.733 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.773 11.235 -0.044 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.524 12.427 -1.087 1.00 0.00 H new ATOM 741 N GLU A 53 -4.874 11.926 -2.283 1.00 0.00 N ATOM 742 CA GLU A 53 -5.870 12.640 -3.071 1.00 0.00 C ATOM 743 C GLU A 53 -7.194 11.879 -3.093 1.00 0.00 C ATOM 744 O GLU A 53 -7.218 10.654 -2.981 1.00 0.00 O ATOM 745 CB GLU A 53 -5.366 12.849 -4.500 1.00 0.00 C ATOM 746 CG GLU A 53 -4.395 14.011 -4.638 1.00 0.00 C ATOM 747 CD GLU A 53 -3.243 13.699 -5.573 1.00 0.00 C ATOM 748 OE1 GLU A 53 -2.425 12.817 -5.234 1.00 0.00 O ATOM 749 OE2 GLU A 53 -3.158 14.336 -6.643 1.00 0.00 O ATOM 0 H GLU A 53 -4.079 11.582 -2.821 1.00 0.00 H new ATOM 0 HA GLU A 53 -6.037 13.612 -2.606 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.878 11.936 -4.842 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.219 13.019 -5.156 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.931 14.886 -5.007 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.001 14.269 -3.655 1.00 0.00 H new ATOM 756 N PRO A 54 -8.319 12.601 -3.240 1.00 0.00 N ATOM 757 CA PRO A 54 -9.651 11.988 -3.275 1.00 0.00 C ATOM 758 C PRO A 54 -9.903 11.226 -4.573 1.00 0.00 C ATOM 759 O PRO A 54 -10.804 11.565 -5.340 1.00 0.00 O ATOM 760 CB PRO A 54 -10.594 13.187 -3.164 1.00 0.00 C ATOM 761 CG PRO A 54 -9.821 14.328 -3.728 1.00 0.00 C ATOM 762 CD PRO A 54 -8.380 14.068 -3.380 1.00 0.00 C ATOM 0 HA PRO A 54 -9.784 11.251 -2.483 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -11.516 13.019 -3.721 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -10.877 13.374 -2.128 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -9.955 14.394 -4.808 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -10.159 15.274 -3.306 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -7.708 14.425 -4.160 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -8.093 14.572 -2.457 1.00 0.00 H new ATOM 770 N GLU A 55 -9.100 10.194 -4.812 1.00 0.00 N ATOM 771 CA GLU A 55 -9.236 9.384 -6.017 1.00 0.00 C ATOM 772 C GLU A 55 -8.664 7.986 -5.801 1.00 0.00 C ATOM 773 O GLU A 55 -7.451 7.786 -5.856 1.00 0.00 O ATOM 774 CB GLU A 55 -8.531 10.060 -7.194 1.00 0.00 C ATOM 775 CG GLU A 55 -8.944 11.508 -7.399 1.00 0.00 C ATOM 776 CD GLU A 55 -8.375 12.103 -8.673 1.00 0.00 C ATOM 777 OE1 GLU A 55 -7.201 11.816 -8.988 1.00 0.00 O ATOM 778 OE2 GLU A 55 -9.103 12.854 -9.354 1.00 0.00 O ATOM 0 H GLU A 55 -8.349 9.899 -4.188 1.00 0.00 H new ATOM 0 HA GLU A 55 -10.298 9.291 -6.244 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.454 10.017 -7.035 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.741 9.498 -8.104 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -10.032 11.571 -7.427 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.613 12.101 -6.546 1.00 0.00 H new ATOM 785 N GLY A 56 -9.547 7.024 -5.554 1.00 0.00 N ATOM 786 CA GLY A 56 -9.112 5.657 -5.334 1.00 0.00 C ATOM 787 C GLY A 56 -9.872 4.662 -6.188 1.00 0.00 C ATOM 788 O GLY A 56 -9.748 4.663 -7.412 1.00 0.00 O ATOM 0 H GLY A 56 -10.556 7.166 -5.502 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -8.047 5.579 -5.551 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.242 5.402 -4.282 1.00 0.00 H new ATOM 792 N LYS A 57 -10.660 3.810 -5.540 1.00 0.00 N ATOM 793 CA LYS A 57 -11.443 2.804 -6.249 1.00 0.00 C ATOM 794 C LYS A 57 -12.319 2.016 -5.281 1.00 0.00 C ATOM 795 O LYS A 57 -13.511 1.824 -5.523 1.00 0.00 O ATOM 796 CB LYS A 57 -10.519 1.851 -7.010 1.00 0.00 C ATOM 797 CG LYS A 57 -11.129 1.309 -8.293 1.00 0.00 C ATOM 798 CD LYS A 57 -10.101 1.237 -9.412 1.00 0.00 C ATOM 799 CE LYS A 57 -9.766 2.618 -9.954 1.00 0.00 C ATOM 800 NZ LYS A 57 -8.310 2.912 -9.863 1.00 0.00 N ATOM 0 H LYS A 57 -10.773 3.796 -4.526 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.089 3.318 -6.961 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -9.592 2.371 -7.250 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.257 1.016 -6.360 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.540 0.316 -8.111 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -11.959 1.946 -8.600 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -9.193 0.760 -9.043 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -10.484 0.612 -10.219 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -10.086 2.687 -10.994 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -10.324 3.371 -9.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -8.123 3.862 -10.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -8.009 2.871 -8.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -7.779 2.208 -10.415 1.00 0.00 H new ATOM 814 N ASN A 58 -11.721 1.562 -4.185 1.00 0.00 N ATOM 815 CA ASN A 58 -12.447 0.795 -3.179 1.00 0.00 C ATOM 816 C ASN A 58 -12.589 1.590 -1.886 1.00 0.00 C ATOM 817 O ASN A 58 -11.828 2.524 -1.632 1.00 0.00 O ATOM 818 CB ASN A 58 -11.730 -0.528 -2.902 1.00 0.00 C ATOM 819 CG ASN A 58 -12.004 -1.570 -3.968 1.00 0.00 C ATOM 820 OD1 ASN A 58 -12.920 -2.382 -3.837 1.00 0.00 O ATOM 821 ND2 ASN A 58 -11.210 -1.552 -5.031 1.00 0.00 N ATOM 0 H ASN A 58 -10.735 1.712 -3.970 1.00 0.00 H new ATOM 0 HA ASN A 58 -13.444 0.586 -3.567 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -10.656 -0.350 -2.840 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -12.046 -0.913 -1.932 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -11.347 -2.229 -5.781 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -10.463 -0.861 -5.098 1.00 0.00 H new ATOM 828 N ASP A 59 -13.569 1.214 -1.070 1.00 0.00 N ATOM 829 CA ASP A 59 -13.810 1.892 0.197 1.00 0.00 C ATOM 830 C ASP A 59 -13.180 1.124 1.354 1.00 0.00 C ATOM 831 O ASP A 59 -13.679 1.155 2.479 1.00 0.00 O ATOM 832 CB ASP A 59 -15.313 2.054 0.435 1.00 0.00 C ATOM 833 CG ASP A 59 -15.983 2.887 -0.640 1.00 0.00 C ATOM 834 OD1 ASP A 59 -15.452 3.969 -0.969 1.00 0.00 O ATOM 835 OD2 ASP A 59 -17.038 2.458 -1.153 1.00 0.00 O ATOM 0 H ASP A 59 -14.208 0.443 -1.264 1.00 0.00 H new ATOM 0 HA ASP A 59 -13.349 2.878 0.146 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -15.780 1.070 0.472 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -15.476 2.521 1.406 1.00 0.00 H new ATOM 840 N GLY A 60 -12.080 0.433 1.070 1.00 0.00 N ATOM 841 CA GLY A 60 -11.400 -0.334 2.097 1.00 0.00 C ATOM 842 C GLY A 60 -11.802 -1.796 2.092 1.00 0.00 C ATOM 843 O GLY A 60 -11.024 -2.661 2.494 1.00 0.00 O ATOM 0 H GLY A 60 -11.648 0.391 0.147 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -10.323 -0.256 1.950 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -11.621 0.097 3.074 1.00 0.00 H new ATOM 847 N SER A 61 -13.020 -2.073 1.637 1.00 0.00 N ATOM 848 CA SER A 61 -13.522 -3.441 1.584 1.00 0.00 C ATOM 849 C SER A 61 -13.617 -3.929 0.141 1.00 0.00 C ATOM 850 O SER A 61 -13.964 -3.168 -0.761 1.00 0.00 O ATOM 851 CB SER A 61 -14.894 -3.529 2.255 1.00 0.00 C ATOM 852 OG SER A 61 -15.052 -2.511 3.227 1.00 0.00 O ATOM 0 H SER A 61 -13.677 -1.369 1.300 1.00 0.00 H new ATOM 0 HA SER A 61 -12.821 -4.081 2.120 1.00 0.00 H new ATOM 0 HB2 SER A 61 -15.677 -3.442 1.502 1.00 0.00 H new ATOM 0 HB3 SER A 61 -15.011 -4.506 2.724 1.00 0.00 H new ATOM 0 HG SER A 61 -15.937 -2.588 3.640 1.00 0.00 H new ATOM 858 N VAL A 62 -13.307 -5.204 -0.067 1.00 0.00 N ATOM 859 CA VAL A 62 -13.357 -5.796 -1.397 1.00 0.00 C ATOM 860 C VAL A 62 -13.879 -7.227 -1.343 1.00 0.00 C ATOM 861 O VAL A 62 -13.264 -8.101 -0.732 1.00 0.00 O ATOM 862 CB VAL A 62 -11.970 -5.793 -2.067 1.00 0.00 C ATOM 863 CG1 VAL A 62 -12.076 -6.226 -3.521 1.00 0.00 C ATOM 864 CG2 VAL A 62 -11.328 -4.419 -1.958 1.00 0.00 C ATOM 0 H VAL A 62 -13.018 -5.847 0.670 1.00 0.00 H new ATOM 0 HA VAL A 62 -14.039 -5.185 -1.988 1.00 0.00 H new ATOM 0 HB VAL A 62 -11.334 -6.509 -1.546 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -11.086 -6.217 -3.976 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -12.490 -7.233 -3.571 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -12.729 -5.538 -4.059 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -10.349 -4.436 -2.437 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -11.961 -3.682 -2.452 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -11.213 -4.153 -0.907 1.00 0.00 H new ATOM 874 N GLY A 63 -15.019 -7.461 -1.986 1.00 0.00 N ATOM 875 CA GLY A 63 -15.605 -8.787 -1.998 1.00 0.00 C ATOM 876 C GLY A 63 -16.022 -9.252 -0.615 1.00 0.00 C ATOM 877 O GLY A 63 -16.063 -10.451 -0.342 1.00 0.00 O ATOM 0 H GLY A 63 -15.547 -6.755 -2.499 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -16.474 -8.790 -2.656 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -14.887 -9.494 -2.414 1.00 0.00 H new ATOM 881 N GLY A 64 -16.332 -8.299 0.258 1.00 0.00 N ATOM 882 CA GLY A 64 -16.744 -8.637 1.608 1.00 0.00 C ATOM 883 C GLY A 64 -15.615 -8.501 2.612 1.00 0.00 C ATOM 884 O GLY A 64 -15.852 -8.244 3.791 1.00 0.00 O ATOM 0 H GLY A 64 -16.305 -7.300 0.055 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -17.570 -7.990 1.905 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -17.119 -9.660 1.624 1.00 0.00 H new ATOM 888 N VAL A 65 -14.384 -8.677 2.143 1.00 0.00 N ATOM 889 CA VAL A 65 -13.215 -8.573 3.008 1.00 0.00 C ATOM 890 C VAL A 65 -12.836 -7.115 3.246 1.00 0.00 C ATOM 891 O VAL A 65 -12.516 -6.385 2.307 1.00 0.00 O ATOM 892 CB VAL A 65 -12.005 -9.316 2.412 1.00 0.00 C ATOM 893 CG1 VAL A 65 -10.862 -9.366 3.415 1.00 0.00 C ATOM 894 CG2 VAL A 65 -12.402 -10.716 1.973 1.00 0.00 C ATOM 0 H VAL A 65 -14.170 -8.892 1.169 1.00 0.00 H new ATOM 0 HA VAL A 65 -13.483 -9.036 3.958 1.00 0.00 H new ATOM 0 HB VAL A 65 -11.662 -8.769 1.534 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.016 -9.895 2.976 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.561 -8.351 3.674 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -11.189 -9.888 4.314 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -11.534 -11.226 1.554 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -12.772 -11.275 2.832 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -13.185 -10.652 1.217 1.00 0.00 H new ATOM 904 N ARG A 66 -12.873 -6.698 4.507 1.00 0.00 N ATOM 905 CA ARG A 66 -12.532 -5.326 4.868 1.00 0.00 C ATOM 906 C ARG A 66 -11.064 -5.220 5.271 1.00 0.00 C ATOM 907 O ARG A 66 -10.631 -5.831 6.247 1.00 0.00 O ATOM 908 CB ARG A 66 -13.423 -4.842 6.014 1.00 0.00 C ATOM 909 CG ARG A 66 -13.211 -3.380 6.373 1.00 0.00 C ATOM 910 CD ARG A 66 -14.353 -2.842 7.218 1.00 0.00 C ATOM 911 NE ARG A 66 -14.427 -3.498 8.521 1.00 0.00 N ATOM 912 CZ ARG A 66 -15.076 -2.996 9.570 1.00 0.00 C ATOM 913 NH1 ARG A 66 -15.710 -1.833 9.471 1.00 0.00 N ATOM 914 NH2 ARG A 66 -15.092 -3.657 10.718 1.00 0.00 N ATOM 0 H ARG A 66 -13.135 -7.289 5.296 1.00 0.00 H new ATOM 0 HA ARG A 66 -12.698 -4.694 3.996 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -14.467 -4.993 5.740 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -13.233 -5.455 6.895 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -12.272 -3.270 6.916 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -13.123 -2.790 5.461 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -14.225 -1.769 7.359 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -15.294 -2.983 6.687 1.00 0.00 H new ATOM 0 HE ARG A 66 -13.953 -4.394 8.634 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -15.701 -1.321 8.589 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -16.206 -1.452 10.277 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -14.607 -4.551 10.799 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -15.589 -3.272 11.521 1.00 0.00 H new ATOM 928 N TYR A 67 -10.303 -4.440 4.509 1.00 0.00 N ATOM 929 CA TYR A 67 -8.883 -4.253 4.786 1.00 0.00 C ATOM 930 C TYR A 67 -8.657 -3.029 5.667 1.00 0.00 C ATOM 931 O TYR A 67 -7.715 -2.988 6.458 1.00 0.00 O ATOM 932 CB TYR A 67 -8.104 -4.104 3.478 1.00 0.00 C ATOM 933 CG TYR A 67 -8.107 -5.354 2.626 1.00 0.00 C ATOM 934 CD1 TYR A 67 -9.289 -5.852 2.095 1.00 0.00 C ATOM 935 CD2 TYR A 67 -6.926 -6.034 2.351 1.00 0.00 C ATOM 936 CE1 TYR A 67 -9.295 -6.993 1.314 1.00 0.00 C ATOM 937 CE2 TYR A 67 -6.925 -7.175 1.573 1.00 0.00 C ATOM 938 CZ TYR A 67 -8.112 -7.650 1.056 1.00 0.00 C ATOM 939 OH TYR A 67 -8.115 -8.786 0.280 1.00 0.00 O ATOM 0 H TYR A 67 -10.646 -3.928 3.696 1.00 0.00 H new ATOM 0 HA TYR A 67 -8.523 -5.133 5.319 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -8.529 -3.281 2.903 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -7.073 -3.833 3.707 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -10.219 -5.340 2.295 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -5.994 -5.664 2.752 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -10.223 -7.367 0.908 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -5.999 -7.693 1.370 1.00 0.00 H new ATOM 0 HH TYR A 67 -8.848 -8.738 -0.368 1.00 0.00 H new ATOM 949 N PHE A 68 -9.526 -2.034 5.525 1.00 0.00 N ATOM 950 CA PHE A 68 -9.419 -0.809 6.309 1.00 0.00 C ATOM 951 C PHE A 68 -10.614 0.105 6.059 1.00 0.00 C ATOM 952 O PHE A 68 -11.508 -0.223 5.279 1.00 0.00 O ATOM 953 CB PHE A 68 -8.121 -0.074 5.968 1.00 0.00 C ATOM 954 CG PHE A 68 -7.883 0.070 4.493 1.00 0.00 C ATOM 955 CD1 PHE A 68 -8.554 1.036 3.760 1.00 0.00 C ATOM 956 CD2 PHE A 68 -6.989 -0.761 3.837 1.00 0.00 C ATOM 957 CE1 PHE A 68 -8.338 1.171 2.402 1.00 0.00 C ATOM 958 CE2 PHE A 68 -6.769 -0.631 2.479 1.00 0.00 C ATOM 959 CZ PHE A 68 -7.444 0.337 1.761 1.00 0.00 C ATOM 0 H PHE A 68 -10.312 -2.052 4.875 1.00 0.00 H new ATOM 0 HA PHE A 68 -9.409 -1.083 7.364 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -8.144 0.916 6.423 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -7.282 -0.610 6.413 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -9.254 1.691 4.256 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -6.458 -1.519 4.394 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -8.868 1.928 1.843 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -6.070 -1.286 1.980 1.00 0.00 H new ATOM 0 HZ PHE A 68 -7.273 0.441 0.700 1.00 0.00 H new ATOM 969 N ILE A 69 -10.623 1.255 6.727 1.00 0.00 N ATOM 970 CA ILE A 69 -11.707 2.218 6.578 1.00 0.00 C ATOM 971 C ILE A 69 -11.180 3.568 6.104 1.00 0.00 C ATOM 972 O ILE A 69 -10.299 4.156 6.732 1.00 0.00 O ATOM 973 CB ILE A 69 -12.472 2.414 7.901 1.00 0.00 C ATOM 974 CG1 ILE A 69 -12.844 1.059 8.505 1.00 0.00 C ATOM 975 CG2 ILE A 69 -13.715 3.260 7.676 1.00 0.00 C ATOM 976 CD1 ILE A 69 -11.815 0.526 9.478 1.00 0.00 C ATOM 0 H ILE A 69 -9.891 1.542 7.377 1.00 0.00 H new ATOM 0 HA ILE A 69 -12.389 1.813 5.830 1.00 0.00 H new ATOM 0 HB ILE A 69 -11.824 2.938 8.603 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -13.802 1.149 9.016 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -12.979 0.337 7.700 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -14.243 3.389 8.621 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -13.425 4.236 7.287 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -14.369 2.763 6.959 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -12.146 -0.437 9.866 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -10.860 0.403 8.967 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -11.697 1.228 10.303 1.00 0.00 H new ATOM 988 N CYS A 70 -11.721 4.052 4.992 1.00 0.00 N ATOM 989 CA CYS A 70 -11.304 5.332 4.432 1.00 0.00 C ATOM 990 C CYS A 70 -12.439 5.977 3.640 1.00 0.00 C ATOM 991 O CYS A 70 -13.389 5.303 3.242 1.00 0.00 O ATOM 992 CB CYS A 70 -10.081 5.142 3.531 1.00 0.00 C ATOM 993 SG CYS A 70 -10.392 4.123 2.070 1.00 0.00 S ATOM 0 H CYS A 70 -12.450 3.577 4.460 1.00 0.00 H new ATOM 0 HA CYS A 70 -11.041 5.994 5.257 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -9.725 6.121 3.209 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -9.280 4.687 4.114 1.00 0.00 H new ATOM 0 HG CYS A 70 -10.977 4.840 1.157 1.00 0.00 H new ATOM 999 N PRO A 71 -12.356 7.298 3.400 1.00 0.00 N ATOM 1000 CA PRO A 71 -13.383 8.030 2.650 1.00 0.00 C ATOM 1001 C PRO A 71 -13.733 7.346 1.330 1.00 0.00 C ATOM 1002 O PRO A 71 -13.026 6.441 0.885 1.00 0.00 O ATOM 1003 CB PRO A 71 -12.730 9.390 2.395 1.00 0.00 C ATOM 1004 CG PRO A 71 -11.763 9.558 3.515 1.00 0.00 C ATOM 1005 CD PRO A 71 -11.256 8.179 3.836 1.00 0.00 C ATOM 0 HA PRO A 71 -14.325 8.091 3.195 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -12.226 9.413 1.429 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -13.470 10.190 2.387 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -10.944 10.218 3.228 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -12.245 10.008 4.383 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -10.330 7.958 3.305 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -11.048 8.065 4.900 1.00 0.00 H new ATOM 1013 N PRO A 72 -14.831 7.772 0.682 1.00 0.00 N ATOM 1014 CA PRO A 72 -15.270 7.195 -0.593 1.00 0.00 C ATOM 1015 C PRO A 72 -14.202 7.307 -1.675 1.00 0.00 C ATOM 1016 O PRO A 72 -13.742 8.403 -1.998 1.00 0.00 O ATOM 1017 CB PRO A 72 -16.505 8.024 -0.969 1.00 0.00 C ATOM 1018 CG PRO A 72 -16.423 9.254 -0.130 1.00 0.00 C ATOM 1019 CD PRO A 72 -15.730 8.844 1.136 1.00 0.00 C ATOM 0 HA PRO A 72 -15.476 6.129 -0.502 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -16.505 8.271 -2.031 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -17.424 7.473 -0.770 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -15.868 10.040 -0.642 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -17.416 9.651 0.080 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -15.179 9.672 1.582 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -16.436 8.489 1.887 1.00 0.00 H new ATOM 1027 N LYS A 73 -13.810 6.165 -2.232 1.00 0.00 N ATOM 1028 CA LYS A 73 -12.795 6.133 -3.280 1.00 0.00 C ATOM 1029 C LYS A 73 -11.467 6.679 -2.766 1.00 0.00 C ATOM 1030 O LYS A 73 -11.216 7.883 -2.824 1.00 0.00 O ATOM 1031 CB LYS A 73 -13.257 6.940 -4.494 1.00 0.00 C ATOM 1032 CG LYS A 73 -14.492 6.366 -5.172 1.00 0.00 C ATOM 1033 CD LYS A 73 -15.756 7.085 -4.728 1.00 0.00 C ATOM 1034 CE LYS A 73 -15.887 8.446 -5.394 1.00 0.00 C ATOM 1035 NZ LYS A 73 -15.580 9.557 -4.451 1.00 0.00 N ATOM 0 H LYS A 73 -14.180 5.250 -1.975 1.00 0.00 H new ATOM 0 HA LYS A 73 -12.650 5.095 -3.579 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -13.467 7.963 -4.182 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -12.444 6.988 -5.219 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -14.386 6.449 -6.254 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -14.575 5.304 -4.940 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -16.627 6.475 -4.970 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -15.744 7.208 -3.645 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -15.213 8.498 -6.249 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -16.900 8.566 -5.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -16.459 10.053 -4.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -15.144 9.171 -3.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -14.922 10.224 -4.903 1.00 0.00 H new ATOM 1049 N GLN A 74 -10.620 5.787 -2.263 1.00 0.00 N ATOM 1050 CA GLN A 74 -9.317 6.179 -1.739 1.00 0.00 C ATOM 1051 C GLN A 74 -8.390 4.974 -1.624 1.00 0.00 C ATOM 1052 O GLN A 74 -7.220 5.040 -1.999 1.00 0.00 O ATOM 1053 CB GLN A 74 -9.475 6.848 -0.372 1.00 0.00 C ATOM 1054 CG GLN A 74 -8.487 7.976 -0.128 1.00 0.00 C ATOM 1055 CD GLN A 74 -8.851 8.819 1.078 1.00 0.00 C ATOM 1056 OE1 GLN A 74 -9.963 9.336 1.176 1.00 0.00 O ATOM 1057 NE2 GLN A 74 -7.911 8.962 2.006 1.00 0.00 N ATOM 0 H GLN A 74 -10.813 4.787 -2.207 1.00 0.00 H new ATOM 0 HA GLN A 74 -8.873 6.890 -2.436 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -10.489 7.239 -0.283 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -9.354 6.096 0.407 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -7.491 7.557 0.014 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -8.443 8.613 -1.012 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -7.002 8.515 1.884 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -8.098 9.518 2.840 1.00 0.00 H new ATOM 1066 N GLY A 75 -8.922 3.873 -1.102 1.00 0.00 N ATOM 1067 CA GLY A 75 -8.128 2.668 -0.946 1.00 0.00 C ATOM 1068 C GLY A 75 -7.842 1.986 -2.270 1.00 0.00 C ATOM 1069 O GLY A 75 -8.753 1.755 -3.065 1.00 0.00 O ATOM 0 H GLY A 75 -9.888 3.794 -0.785 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -7.186 2.918 -0.459 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -8.652 1.974 -0.289 1.00 0.00 H new ATOM 1073 N LEU A 76 -6.575 1.662 -2.506 1.00 0.00 N ATOM 1074 CA LEU A 76 -6.172 1.003 -3.742 1.00 0.00 C ATOM 1075 C LEU A 76 -5.201 -0.139 -3.458 1.00 0.00 C ATOM 1076 O LEU A 76 -4.130 0.071 -2.888 1.00 0.00 O ATOM 1077 CB LEU A 76 -5.528 2.010 -4.696 1.00 0.00 C ATOM 1078 CG LEU A 76 -5.193 1.463 -6.085 1.00 0.00 C ATOM 1079 CD1 LEU A 76 -6.324 1.756 -7.061 1.00 0.00 C ATOM 1080 CD2 LEU A 76 -3.885 2.054 -6.590 1.00 0.00 C ATOM 0 H LEU A 76 -5.810 1.845 -1.857 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.065 0.589 -4.211 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.200 2.861 -4.810 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.612 2.386 -4.240 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.075 0.382 -6.010 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.068 1.360 -8.044 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -7.241 1.285 -6.707 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -6.473 2.833 -7.132 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.663 1.654 -7.579 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.975 3.139 -6.649 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -3.079 1.794 -5.904 1.00 0.00 H new ATOM 1092 N PHE A 77 -5.582 -1.347 -3.861 1.00 0.00 N ATOM 1093 CA PHE A 77 -4.745 -2.523 -3.652 1.00 0.00 C ATOM 1094 C PHE A 77 -3.983 -2.882 -4.923 1.00 0.00 C ATOM 1095 O PHE A 77 -4.583 -3.209 -5.947 1.00 0.00 O ATOM 1096 CB PHE A 77 -5.599 -3.709 -3.203 1.00 0.00 C ATOM 1097 CG PHE A 77 -6.482 -3.403 -2.027 1.00 0.00 C ATOM 1098 CD1 PHE A 77 -7.743 -2.860 -2.214 1.00 0.00 C ATOM 1099 CD2 PHE A 77 -6.051 -3.657 -0.734 1.00 0.00 C ATOM 1100 CE1 PHE A 77 -8.558 -2.577 -1.134 1.00 0.00 C ATOM 1101 CE2 PHE A 77 -6.862 -3.377 0.348 1.00 0.00 C ATOM 1102 CZ PHE A 77 -8.117 -2.836 0.149 1.00 0.00 C ATOM 0 H PHE A 77 -6.465 -1.537 -4.334 1.00 0.00 H new ATOM 0 HA PHE A 77 -4.022 -2.289 -2.871 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -6.220 -4.036 -4.037 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -4.944 -4.542 -2.948 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -8.093 -2.656 -3.215 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -5.070 -4.079 -0.571 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -9.539 -2.154 -1.293 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -6.515 -3.581 1.350 1.00 0.00 H new ATOM 0 HZ PHE A 77 -8.752 -2.616 0.994 1.00 0.00 H new ATOM 1112 N ALA A 78 -2.658 -2.819 -4.851 1.00 0.00 N ATOM 1113 CA ALA A 78 -1.813 -3.137 -5.997 1.00 0.00 C ATOM 1114 C ALA A 78 -0.600 -3.957 -5.573 1.00 0.00 C ATOM 1115 O ALA A 78 -0.338 -4.128 -4.382 1.00 0.00 O ATOM 1116 CB ALA A 78 -1.373 -1.861 -6.697 1.00 0.00 C ATOM 0 H ALA A 78 -2.145 -2.551 -4.011 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.398 -3.737 -6.694 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.743 -2.113 -7.550 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.250 -1.314 -7.043 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.810 -1.240 -6.001 1.00 0.00 H new ATOM 1122 N SER A 79 0.138 -4.463 -6.554 1.00 0.00 N ATOM 1123 CA SER A 79 1.326 -5.266 -6.283 1.00 0.00 C ATOM 1124 C SER A 79 2.523 -4.377 -5.967 1.00 0.00 C ATOM 1125 O SER A 79 2.618 -3.249 -6.452 1.00 0.00 O ATOM 1126 CB SER A 79 1.644 -6.164 -7.480 1.00 0.00 C ATOM 1127 OG SER A 79 0.501 -6.896 -7.887 1.00 0.00 O ATOM 0 H SER A 79 -0.065 -4.332 -7.545 1.00 0.00 H new ATOM 0 HA SER A 79 1.121 -5.891 -5.413 1.00 0.00 H new ATOM 0 HB2 SER A 79 2.004 -5.555 -8.309 1.00 0.00 H new ATOM 0 HB3 SER A 79 2.447 -6.853 -7.218 1.00 0.00 H new ATOM 0 HG SER A 79 0.305 -7.592 -7.225 1.00 0.00 H new ATOM 1133 N VAL A 80 3.437 -4.892 -5.150 1.00 0.00 N ATOM 1134 CA VAL A 80 4.630 -4.146 -4.768 1.00 0.00 C ATOM 1135 C VAL A 80 5.466 -3.778 -5.989 1.00 0.00 C ATOM 1136 O VAL A 80 6.208 -2.797 -5.971 1.00 0.00 O ATOM 1137 CB VAL A 80 5.502 -4.950 -3.786 1.00 0.00 C ATOM 1138 CG1 VAL A 80 4.786 -5.126 -2.456 1.00 0.00 C ATOM 1139 CG2 VAL A 80 5.874 -6.298 -4.382 1.00 0.00 C ATOM 0 H VAL A 80 3.374 -5.824 -4.740 1.00 0.00 H new ATOM 0 HA VAL A 80 4.289 -3.234 -4.279 1.00 0.00 H new ATOM 0 HB VAL A 80 6.421 -4.393 -3.606 1.00 0.00 H new ATOM 0 HG11 VAL A 80 5.418 -5.697 -1.775 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.577 -4.148 -2.023 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.849 -5.660 -2.615 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.490 -6.852 -3.673 1.00 0.00 H new ATOM 0 HG22 VAL A 80 4.967 -6.865 -4.594 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.432 -6.146 -5.306 1.00 0.00 H new ATOM 1149 N SER A 81 5.343 -4.572 -7.050 1.00 0.00 N ATOM 1150 CA SER A 81 6.089 -4.329 -8.280 1.00 0.00 C ATOM 1151 C SER A 81 5.821 -2.925 -8.814 1.00 0.00 C ATOM 1152 O SER A 81 6.690 -2.309 -9.431 1.00 0.00 O ATOM 1153 CB SER A 81 5.719 -5.369 -9.339 1.00 0.00 C ATOM 1154 OG SER A 81 4.340 -5.303 -9.659 1.00 0.00 O ATOM 0 H SER A 81 4.733 -5.389 -7.082 1.00 0.00 H new ATOM 0 HA SER A 81 7.152 -4.413 -8.052 1.00 0.00 H new ATOM 0 HB2 SER A 81 6.312 -5.204 -10.238 1.00 0.00 H new ATOM 0 HB3 SER A 81 5.964 -6.367 -8.974 1.00 0.00 H new ATOM 0 HG SER A 81 4.129 -5.976 -10.339 1.00 0.00 H new ATOM 1160 N LYS A 82 4.614 -2.425 -8.571 1.00 0.00 N ATOM 1161 CA LYS A 82 4.233 -1.093 -9.029 1.00 0.00 C ATOM 1162 C LYS A 82 4.166 -0.116 -7.859 1.00 0.00 C ATOM 1163 O LYS A 82 3.383 0.833 -7.874 1.00 0.00 O ATOM 1164 CB LYS A 82 2.882 -1.142 -9.745 1.00 0.00 C ATOM 1165 CG LYS A 82 2.818 -2.184 -10.851 1.00 0.00 C ATOM 1166 CD LYS A 82 2.282 -1.594 -12.146 1.00 0.00 C ATOM 1167 CE LYS A 82 1.552 -2.640 -12.974 1.00 0.00 C ATOM 1168 NZ LYS A 82 1.289 -2.168 -14.362 1.00 0.00 N ATOM 0 H LYS A 82 3.883 -2.921 -8.060 1.00 0.00 H new ATOM 0 HA LYS A 82 4.993 -0.745 -9.728 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.100 -1.351 -9.015 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.669 -0.161 -10.169 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.813 -2.595 -11.022 1.00 0.00 H new ATOM 0 HG3 LYS A 82 2.181 -3.011 -10.536 1.00 0.00 H new ATOM 0 HD2 LYS A 82 1.605 -0.770 -11.919 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.106 -1.179 -12.726 1.00 0.00 H new ATOM 0 HE2 LYS A 82 2.145 -3.554 -13.008 1.00 0.00 H new ATOM 0 HE3 LYS A 82 0.607 -2.890 -12.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 0.790 -2.910 -14.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 0.702 -1.310 -14.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 2.191 -1.953 -14.832 1.00 0.00 H new ATOM 1182 N ILE A 83 4.995 -0.353 -6.847 1.00 0.00 N ATOM 1183 CA ILE A 83 5.030 0.506 -5.669 1.00 0.00 C ATOM 1184 C ILE A 83 6.457 0.683 -5.162 1.00 0.00 C ATOM 1185 O ILE A 83 7.270 -0.238 -5.234 1.00 0.00 O ATOM 1186 CB ILE A 83 4.159 -0.061 -4.532 1.00 0.00 C ATOM 1187 CG1 ILE A 83 2.777 -0.447 -5.061 1.00 0.00 C ATOM 1188 CG2 ILE A 83 4.038 0.950 -3.403 1.00 0.00 C ATOM 1189 CD1 ILE A 83 1.937 -1.209 -4.059 1.00 0.00 C ATOM 0 H ILE A 83 5.652 -1.133 -6.819 1.00 0.00 H new ATOM 0 HA ILE A 83 4.631 1.474 -5.972 1.00 0.00 H new ATOM 0 HB ILE A 83 4.639 -0.958 -4.140 1.00 0.00 H new ATOM 0 HG12 ILE A 83 2.244 0.457 -5.356 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.897 -1.054 -5.958 1.00 0.00 H new ATOM 0 HG21 ILE A 83 3.420 0.535 -2.607 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.029 1.178 -3.011 1.00 0.00 H new ATOM 0 HG23 ILE A 83 3.578 1.863 -3.780 1.00 0.00 H new ATOM 0 HD11 ILE A 83 0.971 -1.450 -4.502 1.00 0.00 H new ATOM 0 HD12 ILE A 83 2.449 -2.131 -3.782 1.00 0.00 H new ATOM 0 HD13 ILE A 83 1.786 -0.596 -3.170 1.00 0.00 H new ATOM 1201 N SER A 84 6.753 1.871 -4.647 1.00 0.00 N ATOM 1202 CA SER A 84 8.082 2.169 -4.126 1.00 0.00 C ATOM 1203 C SER A 84 7.994 2.958 -2.825 1.00 0.00 C ATOM 1204 O SER A 84 6.902 3.298 -2.366 1.00 0.00 O ATOM 1205 CB SER A 84 8.893 2.954 -5.158 1.00 0.00 C ATOM 1206 OG SER A 84 8.811 2.353 -6.438 1.00 0.00 O ATOM 0 H SER A 84 6.090 2.644 -4.579 1.00 0.00 H new ATOM 0 HA SER A 84 8.584 1.223 -3.922 1.00 0.00 H new ATOM 0 HB2 SER A 84 8.525 3.979 -5.210 1.00 0.00 H new ATOM 0 HB3 SER A 84 9.935 3.005 -4.843 1.00 0.00 H new ATOM 0 HG SER A 84 9.337 2.875 -7.079 1.00 0.00 H new ATOM 1212 N LYS A 85 9.148 3.248 -2.234 1.00 0.00 N ATOM 1213 CA LYS A 85 9.201 3.998 -0.984 1.00 0.00 C ATOM 1214 C LYS A 85 9.001 5.489 -1.236 1.00 0.00 C ATOM 1215 O LYS A 85 9.599 6.060 -2.148 1.00 0.00 O ATOM 1216 CB LYS A 85 10.536 3.763 -0.279 1.00 0.00 C ATOM 1217 CG LYS A 85 10.646 2.397 0.379 1.00 0.00 C ATOM 1218 CD LYS A 85 11.795 2.347 1.374 1.00 0.00 C ATOM 1219 CE LYS A 85 12.561 1.037 1.278 1.00 0.00 C ATOM 1220 NZ LYS A 85 12.893 0.489 2.622 1.00 0.00 N ATOM 0 H LYS A 85 10.060 2.975 -2.601 1.00 0.00 H new ATOM 0 HA LYS A 85 8.394 3.644 -0.343 1.00 0.00 H new ATOM 0 HB2 LYS A 85 11.344 3.874 -1.002 1.00 0.00 H new ATOM 0 HB3 LYS A 85 10.678 4.534 0.478 1.00 0.00 H new ATOM 0 HG2 LYS A 85 9.712 2.162 0.889 1.00 0.00 H new ATOM 0 HG3 LYS A 85 10.793 1.635 -0.386 1.00 0.00 H new ATOM 0 HD2 LYS A 85 12.473 3.180 1.190 1.00 0.00 H new ATOM 0 HD3 LYS A 85 11.407 2.469 2.385 1.00 0.00 H new ATOM 0 HE2 LYS A 85 11.967 0.309 0.725 1.00 0.00 H new ATOM 0 HE3 LYS A 85 13.480 1.194 0.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 13.848 0.078 2.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 12.859 1.253 3.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 12.204 -0.248 2.876 1.00 0.00 H new ATOM 1234 N ALA A 86 8.157 6.114 -0.422 1.00 0.00 N ATOM 1235 CA ALA A 86 7.879 7.538 -0.555 1.00 0.00 C ATOM 1236 C ALA A 86 8.991 8.375 0.065 1.00 0.00 C ATOM 1237 O ALA A 86 9.918 7.840 0.675 1.00 0.00 O ATOM 1238 CB ALA A 86 6.541 7.877 0.087 1.00 0.00 C ATOM 0 H ALA A 86 7.653 5.656 0.337 1.00 0.00 H new ATOM 0 HA ALA A 86 7.831 7.775 -1.618 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.346 8.944 -0.020 1.00 0.00 H new ATOM 0 HB2 ALA A 86 5.748 7.312 -0.404 1.00 0.00 H new ATOM 0 HB3 ALA A 86 6.569 7.617 1.145 1.00 0.00 H new ATOM 1244 N VAL A 87 8.895 9.691 -0.093 1.00 0.00 N ATOM 1245 CA VAL A 87 9.894 10.602 0.453 1.00 0.00 C ATOM 1246 C VAL A 87 9.398 11.254 1.738 1.00 0.00 C ATOM 1247 O VAL A 87 8.393 11.965 1.738 1.00 0.00 O ATOM 1248 CB VAL A 87 10.263 11.702 -0.559 1.00 0.00 C ATOM 1249 CG1 VAL A 87 11.442 12.519 -0.054 1.00 0.00 C ATOM 1250 CG2 VAL A 87 10.567 11.097 -1.920 1.00 0.00 C ATOM 0 H VAL A 87 8.135 10.150 -0.595 1.00 0.00 H new ATOM 0 HA VAL A 87 10.781 10.007 0.670 1.00 0.00 H new ATOM 0 HB VAL A 87 9.409 12.370 -0.668 1.00 0.00 H new ATOM 0 HG11 VAL A 87 11.688 13.291 -0.783 1.00 0.00 H new ATOM 0 HG12 VAL A 87 11.181 12.986 0.896 1.00 0.00 H new ATOM 0 HG13 VAL A 87 12.303 11.866 0.087 1.00 0.00 H new ATOM 0 HG21 VAL A 87 10.826 11.890 -2.621 1.00 0.00 H new ATOM 0 HG22 VAL A 87 11.404 10.404 -1.831 1.00 0.00 H new ATOM 0 HG23 VAL A 87 9.690 10.562 -2.285 1.00 0.00 H new ATOM 1260 N ASP A 88 10.110 11.006 2.834 1.00 0.00 N ATOM 1261 CA ASP A 88 9.742 11.571 4.128 1.00 0.00 C ATOM 1262 C ASP A 88 10.759 12.614 4.577 1.00 0.00 C ATOM 1263 O ASP A 88 11.946 12.316 4.719 1.00 0.00 O ATOM 1264 CB ASP A 88 9.633 10.462 5.177 1.00 0.00 C ATOM 1265 CG ASP A 88 8.501 10.702 6.156 1.00 0.00 C ATOM 1266 OD1 ASP A 88 8.059 11.864 6.279 1.00 0.00 O ATOM 1267 OD2 ASP A 88 8.057 9.728 6.800 1.00 0.00 O ATOM 0 H ASP A 88 10.944 10.418 2.852 1.00 0.00 H new ATOM 0 HA ASP A 88 8.773 12.059 4.022 1.00 0.00 H new ATOM 0 HB2 ASP A 88 9.480 9.506 4.676 1.00 0.00 H new ATOM 0 HB3 ASP A 88 10.573 10.389 5.724 1.00 0.00 H new ATOM 1272 N ALA A 89 10.288 13.836 4.798 1.00 0.00 N ATOM 1273 CA ALA A 89 11.156 14.924 5.233 1.00 0.00 C ATOM 1274 C ALA A 89 10.688 15.501 6.564 1.00 0.00 C ATOM 1275 O ALA A 89 11.495 15.777 7.451 1.00 0.00 O ATOM 1276 CB ALA A 89 11.208 16.013 4.172 1.00 0.00 C ATOM 0 H ALA A 89 9.309 14.098 4.683 1.00 0.00 H new ATOM 0 HA ALA A 89 12.159 14.522 5.375 1.00 0.00 H new ATOM 0 HB1 ALA A 89 11.859 16.819 4.510 1.00 0.00 H new ATOM 0 HB2 ALA A 89 11.597 15.597 3.243 1.00 0.00 H new ATOM 0 HB3 ALA A 89 10.205 16.404 4.003 1.00 0.00 H new ATOM 1282 N SER A 90 9.378 15.681 6.696 1.00 0.00 N ATOM 1283 CA SER A 90 8.799 16.226 7.919 1.00 0.00 C ATOM 1284 C SER A 90 9.150 15.357 9.123 1.00 0.00 C ATOM 1285 O SER A 90 8.700 14.217 9.230 1.00 0.00 O ATOM 1286 CB SER A 90 7.280 16.339 7.783 1.00 0.00 C ATOM 1287 OG SER A 90 6.904 16.563 6.434 1.00 0.00 O ATOM 0 H SER A 90 8.697 15.457 5.971 1.00 0.00 H new ATOM 0 HA SER A 90 9.218 17.220 8.077 1.00 0.00 H new ATOM 0 HB2 SER A 90 6.810 15.426 8.148 1.00 0.00 H new ATOM 0 HB3 SER A 90 6.916 17.156 8.406 1.00 0.00 H new ATOM 0 HG SER A 90 5.928 16.630 6.373 1.00 0.00 H new ATOM 1293 N GLY A 91 9.957 15.905 10.026 1.00 0.00 N ATOM 1294 CA GLY A 91 10.354 15.168 11.210 1.00 0.00 C ATOM 1295 C GLY A 91 11.010 16.054 12.254 1.00 0.00 C ATOM 1296 O GLY A 91 10.321 16.681 13.058 1.00 0.00 O ATOM 0 H GLY A 91 10.343 16.847 9.958 1.00 0.00 H new ATOM 0 HA2 GLY A 91 9.478 14.687 11.645 1.00 0.00 H new ATOM 0 HA3 GLY A 91 11.045 14.375 10.925 1.00 0.00 H new ATOM 1300 N PRO A 92 12.352 16.128 12.266 1.00 0.00 N ATOM 1301 CA PRO A 92 13.088 16.954 13.229 1.00 0.00 C ATOM 1302 C PRO A 92 12.968 18.443 12.923 1.00 0.00 C ATOM 1303 O PRO A 92 12.161 18.852 12.089 1.00 0.00 O ATOM 1304 CB PRO A 92 14.534 16.488 13.059 1.00 0.00 C ATOM 1305 CG PRO A 92 14.610 15.998 11.655 1.00 0.00 C ATOM 1306 CD PRO A 92 13.258 15.414 11.344 1.00 0.00 C ATOM 0 HA PRO A 92 12.705 16.840 14.243 1.00 0.00 H new ATOM 0 HB2 PRO A 92 15.236 17.304 13.232 1.00 0.00 H new ATOM 0 HB3 PRO A 92 14.782 15.698 13.768 1.00 0.00 H new ATOM 0 HG2 PRO A 92 14.850 16.812 10.971 1.00 0.00 H new ATOM 0 HG3 PRO A 92 15.393 15.248 11.546 1.00 0.00 H new ATOM 0 HD2 PRO A 92 12.981 15.577 10.303 1.00 0.00 H new ATOM 0 HD3 PRO A 92 13.237 14.338 11.515 1.00 0.00 H new ATOM 1314 N SER A 93 13.775 19.249 13.606 1.00 0.00 N ATOM 1315 CA SER A 93 13.758 20.693 13.407 1.00 0.00 C ATOM 1316 C SER A 93 14.397 21.066 12.073 1.00 0.00 C ATOM 1317 O SER A 93 13.900 21.935 11.356 1.00 0.00 O ATOM 1318 CB SER A 93 14.492 21.395 14.551 1.00 0.00 C ATOM 1319 OG SER A 93 15.595 20.626 14.998 1.00 0.00 O ATOM 0 H SER A 93 14.448 18.927 14.301 1.00 0.00 H new ATOM 0 HA SER A 93 12.719 21.021 13.396 1.00 0.00 H new ATOM 0 HB2 SER A 93 14.838 22.374 14.219 1.00 0.00 H new ATOM 0 HB3 SER A 93 13.804 21.565 15.379 1.00 0.00 H new ATOM 0 HG SER A 93 16.048 21.097 15.728 1.00 0.00 H new ATOM 1325 N SER A 94 15.500 20.403 11.746 1.00 0.00 N ATOM 1326 CA SER A 94 16.208 20.664 10.498 1.00 0.00 C ATOM 1327 C SER A 94 17.148 19.513 10.153 1.00 0.00 C ATOM 1328 O SER A 94 16.973 18.837 9.139 1.00 0.00 O ATOM 1329 CB SER A 94 16.997 21.969 10.597 1.00 0.00 C ATOM 1330 OG SER A 94 16.458 22.816 11.598 1.00 0.00 O ATOM 0 H SER A 94 15.924 19.680 12.328 1.00 0.00 H new ATOM 0 HA SER A 94 15.468 20.755 9.703 1.00 0.00 H new ATOM 0 HB2 SER A 94 18.040 21.750 10.824 1.00 0.00 H new ATOM 0 HB3 SER A 94 16.981 22.481 9.635 1.00 0.00 H new ATOM 0 HG SER A 94 16.981 23.644 11.643 1.00 0.00 H new ATOM 1336 N GLY A 95 18.145 19.294 11.005 1.00 0.00 N ATOM 1337 CA GLY A 95 19.098 18.225 10.773 1.00 0.00 C ATOM 1338 C GLY A 95 20.231 18.230 11.780 1.00 0.00 C ATOM 1339 O GLY A 95 20.706 17.133 12.143 1.00 0.00 O ATOM 1340 OXT GLY A 95 20.643 19.330 12.205 1.00 0.00 O ATOM 0 H GLY A 95 18.309 19.838 11.852 1.00 0.00 H new ATOM 0 HA2 GLY A 95 18.581 17.266 10.817 1.00 0.00 H new ATOM 0 HA3 GLY A 95 19.509 18.320 9.768 1.00 0.00 H new TER 1344 GLY A 95