USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 585 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 30 MET CE :methyl -149:sc= -0.307 (180deg=-1.04) USER MOD Set 1.2: A 72 MET CE :methyl -122:sc= -0.256 (180deg=-0.11) USER MOD Set 2.1: A 34 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 69 HIS : no HD1:sc=-0.00889 X(o=-0.0089,f=0) USER MOD Set 3.1: A 61 SER OG : rot 142:sc= 1.24 USER MOD Set 3.2: A 62 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 23 GLN : amide:sc= 0 X(o=-0.13,f=-0.13) USER MOD Set 4.2: A 26 MET CE :methyl 147:sc= -0.131 (180deg=-0.638) USER MOD Set 5.1: A 10 SER OG : rot 180:sc= -0.0324 USER MOD Set 5.2: A 13 THR OG1 : rot -100:sc= 0.089 USER MOD Single : A 4 MET CE :methyl 141:sc= -2.37! (180deg=-6.13!) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 TYR OH : rot -39:sc= -2.59! USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -22:sc= 0.994 USER MOD Single : A 38 SER OG : rot -1:sc= 1.15 USER MOD Single : A 47 GLN : amide:sc= -1.28! C(o=-1.3!,f=-7.4!) USER MOD Single : A 48 SER OG : rot -63:sc= -0.513 USER MOD Single : A 49 ASN :FLIP amide:sc= -0.0633 F(o=-2.2!,f=-0.063) USER MOD Single : A 50 ASN : amide:sc= -0.487! C(o=-0.49!,f=-7.8!) USER MOD Single : A 56 GLN :FLIP amide:sc= -0.81 F(o=-2!,f=-0.81) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0301 USER MOD Single : A 66 TYR OH : rot 179:sc= 1.15 USER MOD Single : A 71 HIS : no HD1:sc= -0.399 X(o=-0.4,f=-0.036) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 4 7.688 0.578 -18.883 1.00 0.00 N ATOM 2 CA MET A 4 8.692 1.415 -18.261 1.00 0.00 C ATOM 3 C MET A 4 8.049 2.318 -17.206 1.00 0.00 C ATOM 4 O MET A 4 6.887 2.700 -17.330 1.00 0.00 O ATOM 5 CB MET A 4 9.401 2.235 -19.332 1.00 0.00 C ATOM 6 CG MET A 4 10.428 3.229 -18.790 1.00 0.00 C ATOM 7 SD MET A 4 11.214 4.220 -20.077 1.00 0.00 S ATOM 8 CE MET A 4 9.792 4.974 -20.859 1.00 0.00 C ATOM 0 HA MET A 4 9.429 0.790 -17.757 1.00 0.00 H new ATOM 0 HB2 MET A 4 9.901 1.555 -20.022 1.00 0.00 H new ATOM 0 HB3 MET A 4 8.654 2.781 -19.908 1.00 0.00 H new ATOM 0 HG2 MET A 4 9.939 3.894 -18.078 1.00 0.00 H new ATOM 0 HG3 MET A 4 11.196 2.684 -18.241 1.00 0.00 H new ATOM 0 HE1 MET A 4 10.025 6.006 -21.120 1.00 0.00 H new ATOM 0 HE2 MET A 4 9.537 4.420 -21.762 1.00 0.00 H new ATOM 0 HE3 MET A 4 8.946 4.956 -20.172 1.00 0.00 H new ATOM 18 N ARG A 5 8.819 2.683 -16.181 1.00 0.00 N ATOM 19 CA ARG A 5 8.335 3.533 -15.113 1.00 0.00 C ATOM 20 C ARG A 5 7.877 4.897 -15.633 1.00 0.00 C ATOM 21 O ARG A 5 6.964 5.519 -15.091 1.00 0.00 O ATOM 22 CB ARG A 5 9.419 3.684 -14.041 1.00 0.00 C ATOM 23 CG ARG A 5 9.045 4.585 -12.897 1.00 0.00 C ATOM 24 CD ARG A 5 10.113 4.576 -11.819 1.00 0.00 C ATOM 25 NE ARG A 5 11.436 4.930 -12.342 1.00 0.00 N ATOM 26 CZ ARG A 5 12.435 4.055 -12.489 1.00 0.00 C ATOM 27 NH1 ARG A 5 12.255 2.770 -12.203 1.00 0.00 N ATOM 28 NH2 ARG A 5 13.604 4.468 -12.965 1.00 0.00 N ATOM 0 H ARG A 5 9.792 2.395 -16.075 1.00 0.00 H new ATOM 0 HA ARG A 5 7.461 3.058 -14.668 1.00 0.00 H new ATOM 0 HB2 ARG A 5 9.661 2.697 -13.646 1.00 0.00 H new ATOM 0 HB3 ARG A 5 10.324 4.070 -14.510 1.00 0.00 H new ATOM 0 HG2 ARG A 5 8.903 5.602 -13.263 1.00 0.00 H new ATOM 0 HG3 ARG A 5 8.094 4.263 -12.473 1.00 0.00 H new ATOM 0 HD2 ARG A 5 9.837 5.277 -11.032 1.00 0.00 H new ATOM 0 HD3 ARG A 5 10.158 3.587 -11.364 1.00 0.00 H new ATOM 0 HE ARG A 5 11.603 5.900 -12.609 1.00 0.00 H new ATOM 0 HH11 ARG A 5 11.348 2.444 -11.868 1.00 0.00 H new ATOM 0 HH12 ARG A 5 13.024 2.109 -12.318 1.00 0.00 H new ATOM 0 HH21 ARG A 5 13.735 5.448 -13.216 1.00 0.00 H new ATOM 0 HH22 ARG A 5 14.371 3.805 -13.080 1.00 0.00 H new ATOM 42 N SER A 6 8.503 5.345 -16.703 1.00 0.00 N ATOM 43 CA SER A 6 8.155 6.626 -17.302 1.00 0.00 C ATOM 44 C SER A 6 6.884 6.517 -18.141 1.00 0.00 C ATOM 45 O SER A 6 6.451 7.504 -18.743 1.00 0.00 O ATOM 46 CB SER A 6 9.310 7.131 -18.152 1.00 0.00 C ATOM 47 OG SER A 6 10.523 7.066 -17.415 1.00 0.00 O ATOM 0 H SER A 6 9.255 4.845 -17.178 1.00 0.00 H new ATOM 0 HA SER A 6 7.964 7.338 -16.499 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.394 6.532 -19.059 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.120 8.158 -18.465 1.00 0.00 H new ATOM 0 HG SER A 6 11.261 7.392 -17.971 1.00 0.00 H new ATOM 53 N GLU A 7 6.290 5.344 -18.200 1.00 0.00 N ATOM 54 CA GLU A 7 5.048 5.137 -18.950 1.00 0.00 C ATOM 55 C GLU A 7 3.827 5.411 -18.097 1.00 0.00 C ATOM 56 O GLU A 7 2.706 5.391 -18.599 1.00 0.00 O ATOM 57 CB GLU A 7 4.978 3.714 -19.517 1.00 0.00 C ATOM 58 CG GLU A 7 5.954 3.466 -20.652 1.00 0.00 C ATOM 59 CD GLU A 7 5.810 2.087 -21.227 1.00 0.00 C ATOM 60 OE1 GLU A 7 4.688 1.695 -21.597 1.00 0.00 O ATOM 61 OE2 GLU A 7 6.835 1.374 -21.317 1.00 0.00 O ATOM 0 H GLU A 7 6.643 4.507 -17.737 1.00 0.00 H new ATOM 0 HA GLU A 7 5.053 5.847 -19.777 1.00 0.00 H new ATOM 0 HB2 GLU A 7 5.176 3.002 -18.716 1.00 0.00 H new ATOM 0 HB3 GLU A 7 3.965 3.522 -19.871 1.00 0.00 H new ATOM 0 HG2 GLU A 7 5.792 4.205 -21.437 1.00 0.00 H new ATOM 0 HG3 GLU A 7 6.973 3.603 -20.290 1.00 0.00 H new ATOM 68 N PHE A 8 4.054 5.673 -16.808 1.00 0.00 N ATOM 69 CA PHE A 8 2.952 6.049 -15.920 1.00 0.00 C ATOM 70 C PHE A 8 2.403 7.403 -16.339 1.00 0.00 C ATOM 71 O PHE A 8 3.028 8.118 -17.127 1.00 0.00 O ATOM 72 CB PHE A 8 3.398 6.072 -14.441 1.00 0.00 C ATOM 73 CG PHE A 8 3.594 4.706 -13.847 1.00 0.00 C ATOM 74 CD1 PHE A 8 2.509 3.943 -13.479 1.00 0.00 C ATOM 75 CD2 PHE A 8 4.858 4.193 -13.670 1.00 0.00 C ATOM 76 CE1 PHE A 8 2.669 2.689 -12.937 1.00 0.00 C ATOM 77 CE2 PHE A 8 5.040 2.927 -13.113 1.00 0.00 C ATOM 78 CZ PHE A 8 3.938 2.184 -12.753 1.00 0.00 C ATOM 0 H PHE A 8 4.971 5.633 -16.363 1.00 0.00 H new ATOM 0 HA PHE A 8 2.166 5.299 -16.007 1.00 0.00 H new ATOM 0 HB2 PHE A 8 4.331 6.630 -14.361 1.00 0.00 H new ATOM 0 HB3 PHE A 8 2.653 6.610 -13.855 1.00 0.00 H new ATOM 0 HD1 PHE A 8 1.513 4.337 -13.619 1.00 0.00 H new ATOM 0 HD2 PHE A 8 5.718 4.776 -13.965 1.00 0.00 H new ATOM 0 HE1 PHE A 8 1.805 2.104 -12.657 1.00 0.00 H new ATOM 0 HE2 PHE A 8 6.035 2.534 -12.966 1.00 0.00 H new ATOM 0 HZ PHE A 8 4.069 1.201 -12.325 1.00 0.00 H new ATOM 88 N ALA A 9 1.244 7.766 -15.799 1.00 0.00 N ATOM 89 CA ALA A 9 0.555 9.003 -16.147 1.00 0.00 C ATOM 90 C ALA A 9 1.505 10.200 -16.097 1.00 0.00 C ATOM 91 O ALA A 9 1.525 11.038 -16.990 1.00 0.00 O ATOM 92 CB ALA A 9 -0.627 9.245 -15.225 1.00 0.00 C ATOM 0 H ALA A 9 0.753 7.206 -15.102 1.00 0.00 H new ATOM 0 HA ALA A 9 0.188 8.894 -17.168 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -1.123 10.174 -15.506 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.331 8.417 -15.311 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -0.276 9.318 -14.196 1.00 0.00 H new ATOM 98 N SER A 10 2.288 10.263 -15.038 1.00 0.00 N ATOM 99 CA SER A 10 3.268 11.331 -14.882 1.00 0.00 C ATOM 100 C SER A 10 4.635 10.763 -14.473 1.00 0.00 C ATOM 101 O SER A 10 5.593 11.501 -14.315 1.00 0.00 O ATOM 102 CB SER A 10 2.775 12.307 -13.820 1.00 0.00 C ATOM 103 OG SER A 10 2.549 11.619 -12.592 1.00 0.00 O ATOM 0 H SER A 10 2.268 9.590 -14.271 1.00 0.00 H new ATOM 0 HA SER A 10 3.386 11.846 -15.836 1.00 0.00 H new ATOM 0 HB2 SER A 10 3.510 13.099 -13.673 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.854 12.785 -14.153 1.00 0.00 H new ATOM 0 HG SER A 10 2.234 12.253 -11.915 1.00 0.00 H new ATOM 109 N GLY A 11 4.705 9.440 -14.328 1.00 0.00 N ATOM 110 CA GLY A 11 5.905 8.834 -13.789 1.00 0.00 C ATOM 111 C GLY A 11 5.906 8.857 -12.278 1.00 0.00 C ATOM 112 O GLY A 11 6.248 7.878 -11.622 1.00 0.00 O ATOM 0 H GLY A 11 3.960 8.787 -14.572 1.00 0.00 H new ATOM 0 HA2 GLY A 11 5.982 7.804 -14.138 1.00 0.00 H new ATOM 0 HA3 GLY A 11 6.781 9.364 -14.163 1.00 0.00 H new ATOM 116 N ASN A 12 5.506 10.012 -11.730 1.00 0.00 N ATOM 117 CA ASN A 12 5.359 10.198 -10.292 1.00 0.00 C ATOM 118 C ASN A 12 4.362 9.206 -9.717 1.00 0.00 C ATOM 119 O ASN A 12 4.423 8.884 -8.525 1.00 0.00 O ATOM 120 CB ASN A 12 4.903 11.620 -9.964 1.00 0.00 C ATOM 121 CG ASN A 12 5.982 12.665 -10.176 1.00 0.00 C ATOM 122 OD1 ASN A 12 6.145 13.202 -11.274 1.00 0.00 O ATOM 123 ND2 ASN A 12 6.739 12.949 -9.130 1.00 0.00 N ATOM 0 H ASN A 12 5.276 10.841 -12.278 1.00 0.00 H new ATOM 0 HA ASN A 12 6.336 10.027 -9.841 1.00 0.00 H new ATOM 0 HB2 ASN A 12 4.041 11.869 -10.583 1.00 0.00 H new ATOM 0 HB3 ASN A 12 4.572 11.657 -8.926 1.00 0.00 H new ATOM 0 HD21 ASN A 12 7.490 13.634 -9.215 1.00 0.00 H new ATOM 0 HD22 ASN A 12 6.572 12.483 -8.238 1.00 0.00 H new ATOM 130 N THR A 13 3.445 8.714 -10.547 1.00 0.00 N ATOM 131 CA THR A 13 2.444 7.749 -10.146 1.00 0.00 C ATOM 132 C THR A 13 3.093 6.520 -9.490 1.00 0.00 C ATOM 133 O THR A 13 2.493 5.881 -8.616 1.00 0.00 O ATOM 134 CB THR A 13 1.649 7.304 -11.381 1.00 0.00 C ATOM 135 OG1 THR A 13 1.545 8.421 -12.287 1.00 0.00 O ATOM 136 CG2 THR A 13 0.258 6.840 -10.992 1.00 0.00 C ATOM 0 H THR A 13 3.382 8.983 -11.529 1.00 0.00 H new ATOM 0 HA THR A 13 1.782 8.219 -9.418 1.00 0.00 H new ATOM 0 HB THR A 13 2.166 6.471 -11.856 1.00 0.00 H new ATOM 0 HG1 THR A 13 0.664 8.839 -12.191 1.00 0.00 H new ATOM 0 HG21 THR A 13 -0.285 6.530 -11.885 1.00 0.00 H new ATOM 0 HG22 THR A 13 0.334 5.999 -10.303 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.276 7.658 -10.508 1.00 0.00 H new ATOM 144 N TYR A 14 4.305 6.204 -9.903 1.00 0.00 N ATOM 145 CA TYR A 14 5.065 5.109 -9.301 1.00 0.00 C ATOM 146 C TYR A 14 5.443 5.458 -7.864 1.00 0.00 C ATOM 147 O TYR A 14 5.301 4.638 -6.963 1.00 0.00 O ATOM 148 CB TYR A 14 6.316 4.805 -10.127 1.00 0.00 C ATOM 149 CG TYR A 14 7.174 3.716 -9.538 1.00 0.00 C ATOM 150 CD1 TYR A 14 6.760 2.389 -9.545 1.00 0.00 C ATOM 151 CD2 TYR A 14 8.388 4.011 -8.953 1.00 0.00 C ATOM 152 CE1 TYR A 14 7.535 1.386 -8.986 1.00 0.00 C ATOM 153 CE2 TYR A 14 9.184 3.034 -8.400 1.00 0.00 C ATOM 154 CZ TYR A 14 8.747 1.712 -8.424 1.00 0.00 C ATOM 155 OH TYR A 14 9.540 0.722 -7.859 1.00 0.00 O ATOM 0 H TYR A 14 4.793 6.689 -10.656 1.00 0.00 H new ATOM 0 HA TYR A 14 4.439 4.217 -9.289 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.016 4.515 -11.134 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.910 5.714 -10.221 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.813 2.134 -9.997 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.723 5.037 -8.928 1.00 0.00 H new ATOM 0 HE1 TYR A 14 7.192 0.362 -8.992 1.00 0.00 H new ATOM 0 HE2 TYR A 14 10.134 3.289 -7.954 1.00 0.00 H new ATOM 0 HH TYR A 14 8.973 0.081 -7.382 1.00 0.00 H new ATOM 165 N ALA A 15 5.930 6.672 -7.675 1.00 0.00 N ATOM 166 CA ALA A 15 6.248 7.185 -6.356 1.00 0.00 C ATOM 167 C ALA A 15 4.997 7.213 -5.463 1.00 0.00 C ATOM 168 O ALA A 15 5.092 7.056 -4.244 1.00 0.00 O ATOM 169 CB ALA A 15 6.848 8.577 -6.461 1.00 0.00 C ATOM 0 H ALA A 15 6.116 7.329 -8.433 1.00 0.00 H new ATOM 0 HA ALA A 15 6.980 6.519 -5.900 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.081 8.949 -5.463 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.761 8.536 -7.056 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.133 9.246 -6.939 1.00 0.00 H new ATOM 175 N LEU A 16 3.850 7.421 -6.077 1.00 0.00 N ATOM 176 CA LEU A 16 2.599 7.438 -5.376 1.00 0.00 C ATOM 177 C LEU A 16 2.233 6.025 -4.916 1.00 0.00 C ATOM 178 O LEU A 16 1.675 5.825 -3.836 1.00 0.00 O ATOM 179 CB LEU A 16 1.492 7.993 -6.268 1.00 0.00 C ATOM 180 CG LEU A 16 0.135 8.162 -5.590 1.00 0.00 C ATOM 181 CD1 LEU A 16 0.212 9.221 -4.500 1.00 0.00 C ATOM 182 CD2 LEU A 16 -0.925 8.508 -6.619 1.00 0.00 C ATOM 0 H LEU A 16 3.768 7.583 -7.081 1.00 0.00 H new ATOM 0 HA LEU A 16 2.703 8.083 -4.504 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.810 8.961 -6.655 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.372 7.331 -7.125 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.144 7.219 -5.119 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.764 9.328 -4.027 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.946 8.921 -3.752 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.509 10.174 -4.939 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.889 8.626 -6.123 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.657 9.439 -7.118 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.992 7.708 -7.356 1.00 0.00 H new ATOM 194 N TYR A 17 2.571 5.072 -5.755 1.00 0.00 N ATOM 195 CA TYR A 17 2.331 3.676 -5.454 1.00 0.00 C ATOM 196 C TYR A 17 3.153 3.232 -4.258 1.00 0.00 C ATOM 197 O TYR A 17 2.625 2.656 -3.302 1.00 0.00 O ATOM 198 CB TYR A 17 2.639 2.804 -6.666 1.00 0.00 C ATOM 199 CG TYR A 17 2.565 1.323 -6.399 1.00 0.00 C ATOM 200 CD1 TYR A 17 1.343 0.700 -6.211 1.00 0.00 C ATOM 201 CD2 TYR A 17 3.712 0.538 -6.282 1.00 0.00 C ATOM 202 CE1 TYR A 17 1.251 -0.650 -5.924 1.00 0.00 C ATOM 203 CE2 TYR A 17 3.630 -0.807 -5.997 1.00 0.00 C ATOM 204 CZ TYR A 17 2.411 -1.392 -5.824 1.00 0.00 C ATOM 205 OH TYR A 17 2.314 -2.741 -5.527 1.00 0.00 O ATOM 0 H TYR A 17 3.016 5.239 -6.658 1.00 0.00 H new ATOM 0 HA TYR A 17 1.276 3.561 -5.205 1.00 0.00 H new ATOM 0 HB2 TYR A 17 1.940 3.053 -7.465 1.00 0.00 H new ATOM 0 HB3 TYR A 17 3.638 3.046 -7.029 1.00 0.00 H new ATOM 0 HD1 TYR A 17 0.438 1.283 -6.291 1.00 0.00 H new ATOM 0 HD2 TYR A 17 4.682 0.993 -6.417 1.00 0.00 H new ATOM 0 HE1 TYR A 17 0.287 -1.116 -5.780 1.00 0.00 H new ATOM 0 HE2 TYR A 17 4.530 -1.397 -5.911 1.00 0.00 H new ATOM 0 HH TYR A 17 3.211 -3.133 -5.490 1.00 0.00 H new ATOM 215 N VAL A 18 4.451 3.486 -4.312 1.00 0.00 N ATOM 216 CA VAL A 18 5.334 3.106 -3.223 1.00 0.00 C ATOM 217 C VAL A 18 4.969 3.858 -1.934 1.00 0.00 C ATOM 218 O VAL A 18 5.080 3.317 -0.833 1.00 0.00 O ATOM 219 CB VAL A 18 6.835 3.302 -3.569 1.00 0.00 C ATOM 220 CG1 VAL A 18 7.228 2.420 -4.747 1.00 0.00 C ATOM 221 CG2 VAL A 18 7.144 4.757 -3.879 1.00 0.00 C ATOM 0 H VAL A 18 4.913 3.951 -5.093 1.00 0.00 H new ATOM 0 HA VAL A 18 5.187 2.038 -3.061 1.00 0.00 H new ATOM 0 HB VAL A 18 7.419 3.010 -2.696 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.283 2.569 -4.977 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.056 1.374 -4.492 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.626 2.685 -5.616 1.00 0.00 H new ATOM 0 HG21 VAL A 18 8.203 4.861 -4.117 1.00 0.00 H new ATOM 0 HG22 VAL A 18 6.547 5.082 -4.731 1.00 0.00 H new ATOM 0 HG23 VAL A 18 6.905 5.372 -3.012 1.00 0.00 H new ATOM 231 N ARG A 19 4.515 5.109 -2.075 1.00 0.00 N ATOM 232 CA ARG A 19 4.005 5.874 -0.944 1.00 0.00 C ATOM 233 C ARG A 19 2.902 5.087 -0.227 1.00 0.00 C ATOM 234 O ARG A 19 2.871 5.021 0.999 1.00 0.00 O ATOM 235 CB ARG A 19 3.457 7.217 -1.452 1.00 0.00 C ATOM 236 CG ARG A 19 3.638 8.396 -0.503 1.00 0.00 C ATOM 237 CD ARG A 19 2.885 8.241 0.798 1.00 0.00 C ATOM 238 NE ARG A 19 1.484 7.921 0.600 1.00 0.00 N ATOM 239 CZ ARG A 19 0.681 7.527 1.585 1.00 0.00 C ATOM 240 NH1 ARG A 19 1.126 7.479 2.831 1.00 0.00 N ATOM 241 NH2 ARG A 19 -0.576 7.163 1.311 1.00 0.00 N ATOM 0 H ARG A 19 4.493 5.608 -2.964 1.00 0.00 H new ATOM 0 HA ARG A 19 4.812 6.057 -0.234 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.944 7.455 -2.398 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.394 7.101 -1.662 1.00 0.00 H new ATOM 0 HG2 ARG A 19 4.699 8.520 -0.287 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.306 9.307 -1.000 1.00 0.00 H new ATOM 0 HD2 ARG A 19 3.352 7.456 1.392 1.00 0.00 H new ATOM 0 HD3 ARG A 19 2.965 9.165 1.371 1.00 0.00 H new ATOM 0 HE ARG A 19 1.096 8.002 -0.340 1.00 0.00 H new ATOM 0 HH11 ARG A 19 2.088 7.745 3.039 1.00 0.00 H new ATOM 0 HH12 ARG A 19 0.506 7.176 3.583 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -0.916 7.188 0.350 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -1.195 6.860 2.063 1.00 0.00 H new ATOM 255 N ASP A 20 2.022 4.503 -1.012 1.00 0.00 N ATOM 256 CA ASP A 20 0.850 3.785 -0.498 1.00 0.00 C ATOM 257 C ASP A 20 1.202 2.400 0.035 1.00 0.00 C ATOM 258 O ASP A 20 0.904 2.065 1.194 1.00 0.00 O ATOM 259 CB ASP A 20 -0.193 3.638 -1.610 1.00 0.00 C ATOM 260 CG ASP A 20 -1.279 2.617 -1.272 1.00 0.00 C ATOM 261 OD1 ASP A 20 -2.305 3.007 -0.687 1.00 0.00 O ATOM 262 OD2 ASP A 20 -1.119 1.439 -1.628 1.00 0.00 O ATOM 0 H ASP A 20 2.090 4.507 -2.030 1.00 0.00 H new ATOM 0 HA ASP A 20 0.453 4.372 0.330 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -0.657 4.606 -1.797 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.305 3.340 -2.532 1.00 0.00 H new ATOM 267 N THR A 21 1.828 1.598 -0.801 1.00 0.00 N ATOM 268 CA THR A 21 1.988 0.174 -0.530 1.00 0.00 C ATOM 269 C THR A 21 3.265 -0.133 0.254 1.00 0.00 C ATOM 270 O THR A 21 3.302 -1.062 1.051 1.00 0.00 O ATOM 271 CB THR A 21 1.977 -0.622 -1.855 1.00 0.00 C ATOM 272 OG1 THR A 21 0.898 -0.165 -2.677 1.00 0.00 O ATOM 273 CG2 THR A 21 1.824 -2.116 -1.592 1.00 0.00 C ATOM 0 H THR A 21 2.239 1.906 -1.682 1.00 0.00 H new ATOM 0 HA THR A 21 1.146 -0.132 0.092 1.00 0.00 H new ATOM 0 HB THR A 21 2.926 -0.459 -2.365 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.223 0.273 -2.117 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.819 -2.654 -2.540 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.657 -2.465 -0.981 1.00 0.00 H new ATOM 0 HG23 THR A 21 0.887 -2.299 -1.066 1.00 0.00 H new ATOM 281 N LEU A 22 4.315 0.636 0.013 1.00 0.00 N ATOM 282 CA LEU A 22 5.591 0.366 0.650 1.00 0.00 C ATOM 283 C LEU A 22 5.566 0.897 2.077 1.00 0.00 C ATOM 284 O LEU A 22 5.748 2.101 2.312 1.00 0.00 O ATOM 285 CB LEU A 22 6.728 0.995 -0.157 1.00 0.00 C ATOM 286 CG LEU A 22 8.075 0.259 -0.094 1.00 0.00 C ATOM 287 CD1 LEU A 22 9.047 0.846 -1.104 1.00 0.00 C ATOM 288 CD2 LEU A 22 8.669 0.324 1.297 1.00 0.00 C ATOM 0 H LEU A 22 4.309 1.442 -0.612 1.00 0.00 H new ATOM 0 HA LEU A 22 5.764 -0.710 0.683 1.00 0.00 H new ATOM 0 HB2 LEU A 22 6.417 1.058 -1.200 1.00 0.00 H new ATOM 0 HB3 LEU A 22 6.876 2.016 0.193 1.00 0.00 H new ATOM 0 HG LEU A 22 7.896 -0.788 -0.340 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.997 0.314 -1.047 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.634 0.745 -2.108 1.00 0.00 H new ATOM 0 HD13 LEU A 22 9.209 1.901 -0.883 1.00 0.00 H new ATOM 0 HD21 LEU A 22 9.622 -0.205 1.311 1.00 0.00 H new ATOM 0 HD22 LEU A 22 8.828 1.365 1.576 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.985 -0.141 2.007 1.00 0.00 H new ATOM 300 N GLN A 23 5.311 0.008 3.025 1.00 0.00 N ATOM 301 CA GLN A 23 5.180 0.378 4.416 1.00 0.00 C ATOM 302 C GLN A 23 6.488 0.236 5.169 1.00 0.00 C ATOM 303 O GLN A 23 7.419 -0.435 4.707 1.00 0.00 O ATOM 304 CB GLN A 23 4.127 -0.500 5.076 1.00 0.00 C ATOM 305 CG GLN A 23 4.501 -1.954 5.116 1.00 0.00 C ATOM 306 CD GLN A 23 3.516 -2.756 5.921 1.00 0.00 C ATOM 307 OE1 GLN A 23 2.544 -3.290 5.371 1.00 0.00 O ATOM 308 NE2 GLN A 23 3.744 -2.825 7.213 1.00 0.00 N ATOM 0 H GLN A 23 5.190 -0.989 2.846 1.00 0.00 H new ATOM 0 HA GLN A 23 4.884 1.426 4.452 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.957 -0.148 6.094 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.185 -0.390 4.539 1.00 0.00 H new ATOM 0 HG2 GLN A 23 4.547 -2.347 4.100 1.00 0.00 H new ATOM 0 HG3 GLN A 23 5.497 -2.063 5.545 1.00 0.00 H new ATOM 0 HE21 GLN A 23 4.562 -2.365 7.612 1.00 0.00 H new ATOM 0 HE22 GLN A 23 3.103 -3.339 7.817 1.00 0.00 H new ATOM 317 N PRO A 24 6.581 0.876 6.343 1.00 0.00 N ATOM 318 CA PRO A 24 7.731 0.751 7.240 1.00 0.00 C ATOM 319 C PRO A 24 8.012 -0.712 7.597 1.00 0.00 C ATOM 320 O PRO A 24 7.147 -1.407 8.128 1.00 0.00 O ATOM 321 CB PRO A 24 7.319 1.554 8.475 1.00 0.00 C ATOM 322 CG PRO A 24 6.305 2.513 7.979 1.00 0.00 C ATOM 323 CD PRO A 24 5.564 1.785 6.895 1.00 0.00 C ATOM 0 HA PRO A 24 8.653 1.116 6.788 1.00 0.00 H new ATOM 0 HB2 PRO A 24 6.907 0.907 9.249 1.00 0.00 H new ATOM 0 HB3 PRO A 24 8.172 2.071 8.914 1.00 0.00 H new ATOM 0 HG2 PRO A 24 5.630 2.820 8.778 1.00 0.00 H new ATOM 0 HG3 PRO A 24 6.775 3.418 7.594 1.00 0.00 H new ATOM 0 HD2 PRO A 24 4.708 1.238 7.290 1.00 0.00 H new ATOM 0 HD3 PRO A 24 5.183 2.470 6.138 1.00 0.00 H new ATOM 331 N GLY A 25 9.218 -1.165 7.286 1.00 0.00 N ATOM 332 CA GLY A 25 9.573 -2.541 7.514 1.00 0.00 C ATOM 333 C GLY A 25 9.867 -3.251 6.214 1.00 0.00 C ATOM 334 O GLY A 25 10.633 -4.223 6.183 1.00 0.00 O ATOM 0 H GLY A 25 9.958 -0.595 6.877 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.446 -2.591 8.165 1.00 0.00 H new ATOM 0 HA3 GLY A 25 8.759 -3.048 8.033 1.00 0.00 H new ATOM 338 N MET A 26 9.276 -2.762 5.124 1.00 0.00 N ATOM 339 CA MET A 26 9.479 -3.360 3.809 1.00 0.00 C ATOM 340 C MET A 26 10.821 -2.951 3.223 1.00 0.00 C ATOM 341 O MET A 26 11.219 -1.781 3.287 1.00 0.00 O ATOM 342 CB MET A 26 8.347 -2.986 2.849 1.00 0.00 C ATOM 343 CG MET A 26 7.003 -3.583 3.225 1.00 0.00 C ATOM 344 SD MET A 26 5.779 -3.361 1.913 1.00 0.00 S ATOM 345 CE MET A 26 4.536 -4.534 2.436 1.00 0.00 C ATOM 0 H MET A 26 8.654 -1.954 5.128 1.00 0.00 H new ATOM 0 HA MET A 26 9.474 -4.442 3.939 1.00 0.00 H new ATOM 0 HB2 MET A 26 8.255 -1.900 2.815 1.00 0.00 H new ATOM 0 HB3 MET A 26 8.612 -3.315 1.844 1.00 0.00 H new ATOM 0 HG2 MET A 26 7.123 -4.646 3.434 1.00 0.00 H new ATOM 0 HG3 MET A 26 6.642 -3.117 4.142 1.00 0.00 H new ATOM 0 HE1 MET A 26 3.548 -4.163 2.163 1.00 0.00 H new ATOM 0 HE2 MET A 26 4.712 -5.493 1.948 1.00 0.00 H new ATOM 0 HE3 MET A 26 4.589 -4.662 3.517 1.00 0.00 H new ATOM 355 N ARG A 27 11.522 -3.942 2.679 1.00 0.00 N ATOM 356 CA ARG A 27 12.798 -3.712 2.015 1.00 0.00 C ATOM 357 C ARG A 27 12.597 -2.913 0.718 1.00 0.00 C ATOM 358 O ARG A 27 11.566 -3.036 0.050 1.00 0.00 O ATOM 359 CB ARG A 27 13.486 -5.055 1.726 1.00 0.00 C ATOM 360 CG ARG A 27 14.767 -4.928 0.938 1.00 0.00 C ATOM 361 CD ARG A 27 15.569 -6.227 0.987 1.00 0.00 C ATOM 362 NE ARG A 27 16.192 -6.431 2.291 1.00 0.00 N ATOM 363 CZ ARG A 27 15.974 -7.479 3.067 1.00 0.00 C ATOM 364 NH1 ARG A 27 15.098 -8.428 2.672 1.00 0.00 N ATOM 365 NH2 ARG A 27 16.601 -7.593 4.217 1.00 0.00 N ATOM 0 H ARG A 27 11.224 -4.917 2.686 1.00 0.00 H new ATOM 0 HA ARG A 27 13.438 -3.126 2.675 1.00 0.00 H new ATOM 0 HB2 ARG A 27 13.700 -5.553 2.671 1.00 0.00 H new ATOM 0 HB3 ARG A 27 12.795 -5.695 1.177 1.00 0.00 H new ATOM 0 HG2 ARG A 27 14.538 -4.676 -0.098 1.00 0.00 H new ATOM 0 HG3 ARG A 27 15.366 -4.111 1.340 1.00 0.00 H new ATOM 0 HD2 ARG A 27 14.913 -7.068 0.762 1.00 0.00 H new ATOM 0 HD3 ARG A 27 16.339 -6.208 0.215 1.00 0.00 H new ATOM 0 HE ARG A 27 16.839 -5.717 2.626 1.00 0.00 H new ATOM 0 HH11 ARG A 27 14.611 -8.333 1.781 1.00 0.00 H new ATOM 0 HH12 ARG A 27 14.924 -9.240 3.265 1.00 0.00 H new ATOM 0 HH21 ARG A 27 17.258 -6.871 4.513 1.00 0.00 H new ATOM 0 HH22 ARG A 27 16.430 -8.403 4.813 1.00 0.00 H new ATOM 379 N VAL A 28 13.587 -2.109 0.375 1.00 0.00 N ATOM 380 CA VAL A 28 13.529 -1.268 -0.812 1.00 0.00 C ATOM 381 C VAL A 28 14.755 -1.504 -1.705 1.00 0.00 C ATOM 382 O VAL A 28 15.806 -1.938 -1.241 1.00 0.00 O ATOM 383 CB VAL A 28 13.468 0.231 -0.463 1.00 0.00 C ATOM 384 CG1 VAL A 28 12.268 0.532 0.400 1.00 0.00 C ATOM 385 CG2 VAL A 28 14.753 0.679 0.220 1.00 0.00 C ATOM 0 H VAL A 28 14.452 -2.019 0.908 1.00 0.00 H new ATOM 0 HA VAL A 28 12.615 -1.545 -1.338 1.00 0.00 H new ATOM 0 HB VAL A 28 13.365 0.792 -1.392 1.00 0.00 H new ATOM 0 HG11 VAL A 28 12.246 1.596 0.634 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.358 0.259 -0.134 1.00 0.00 H new ATOM 0 HG13 VAL A 28 12.332 -0.041 1.325 1.00 0.00 H new ATOM 0 HG21 VAL A 28 14.688 1.741 0.457 1.00 0.00 H new ATOM 0 HG22 VAL A 28 14.894 0.110 1.139 1.00 0.00 H new ATOM 0 HG23 VAL A 28 15.598 0.508 -0.447 1.00 0.00 H new ATOM 395 N ARG A 29 14.583 -1.244 -2.991 1.00 0.00 N ATOM 396 CA ARG A 29 15.679 -1.372 -3.947 1.00 0.00 C ATOM 397 C ARG A 29 15.937 -0.031 -4.627 1.00 0.00 C ATOM 398 O ARG A 29 15.039 0.556 -5.211 1.00 0.00 O ATOM 399 CB ARG A 29 15.333 -2.446 -4.983 1.00 0.00 C ATOM 400 CG ARG A 29 16.460 -2.774 -5.945 1.00 0.00 C ATOM 401 CD ARG A 29 16.091 -3.957 -6.833 1.00 0.00 C ATOM 402 NE ARG A 29 15.819 -5.165 -6.047 1.00 0.00 N ATOM 403 CZ ARG A 29 14.754 -5.933 -6.191 1.00 0.00 C ATOM 404 NH1 ARG A 29 13.809 -5.628 -7.047 1.00 0.00 N ATOM 405 NH2 ARG A 29 14.625 -7.017 -5.454 1.00 0.00 N ATOM 0 H ARG A 29 13.698 -0.943 -3.400 1.00 0.00 H new ATOM 0 HA ARG A 29 16.586 -1.670 -3.422 1.00 0.00 H new ATOM 0 HB2 ARG A 29 15.041 -3.357 -4.461 1.00 0.00 H new ATOM 0 HB3 ARG A 29 14.467 -2.115 -5.556 1.00 0.00 H new ATOM 0 HG2 ARG A 29 16.680 -1.904 -6.564 1.00 0.00 H new ATOM 0 HG3 ARG A 29 17.366 -3.004 -5.385 1.00 0.00 H new ATOM 0 HD2 ARG A 29 15.213 -3.705 -7.428 1.00 0.00 H new ATOM 0 HD3 ARG A 29 16.904 -4.154 -7.532 1.00 0.00 H new ATOM 0 HE ARG A 29 16.502 -5.431 -5.338 1.00 0.00 H new ATOM 0 HH11 ARG A 29 13.889 -4.785 -7.616 1.00 0.00 H new ATOM 0 HH12 ARG A 29 12.994 -6.234 -7.144 1.00 0.00 H new ATOM 0 HH21 ARG A 29 15.346 -7.261 -4.775 1.00 0.00 H new ATOM 0 HH22 ARG A 29 13.804 -7.613 -5.562 1.00 0.00 H new ATOM 419 N MET A 30 17.168 0.442 -4.550 1.00 0.00 N ATOM 420 CA MET A 30 17.543 1.709 -5.175 1.00 0.00 C ATOM 421 C MET A 30 17.731 1.498 -6.680 1.00 0.00 C ATOM 422 O MET A 30 18.575 0.707 -7.097 1.00 0.00 O ATOM 423 CB MET A 30 18.829 2.239 -4.557 1.00 0.00 C ATOM 424 CG MET A 30 19.222 3.616 -5.051 1.00 0.00 C ATOM 425 SD MET A 30 18.033 4.898 -4.585 1.00 0.00 S ATOM 426 CE MET A 30 18.931 6.378 -5.032 1.00 0.00 C ATOM 0 H MET A 30 17.930 -0.029 -4.061 1.00 0.00 H new ATOM 0 HA MET A 30 16.751 2.440 -5.009 1.00 0.00 H new ATOM 0 HB2 MET A 30 18.714 2.271 -3.474 1.00 0.00 H new ATOM 0 HB3 MET A 30 19.639 1.541 -4.771 1.00 0.00 H new ATOM 0 HG2 MET A 30 20.202 3.874 -4.650 1.00 0.00 H new ATOM 0 HG3 MET A 30 19.317 3.593 -6.137 1.00 0.00 H new ATOM 0 HE1 MET A 30 18.648 7.191 -4.364 1.00 0.00 H new ATOM 0 HE2 MET A 30 20.002 6.194 -4.946 1.00 0.00 H new ATOM 0 HE3 MET A 30 18.691 6.653 -6.059 1.00 0.00 H new ATOM 436 N LEU A 31 16.938 2.193 -7.472 1.00 0.00 N ATOM 437 CA LEU A 31 16.955 1.992 -8.915 1.00 0.00 C ATOM 438 C LEU A 31 17.745 3.067 -9.660 1.00 0.00 C ATOM 439 O LEU A 31 17.609 3.226 -10.874 1.00 0.00 O ATOM 440 CB LEU A 31 15.523 1.956 -9.452 1.00 0.00 C ATOM 441 CG LEU A 31 14.637 0.847 -8.886 1.00 0.00 C ATOM 442 CD1 LEU A 31 13.239 0.959 -9.459 1.00 0.00 C ATOM 443 CD2 LEU A 31 15.213 -0.521 -9.183 1.00 0.00 C ATOM 0 H LEU A 31 16.277 2.898 -7.147 1.00 0.00 H new ATOM 0 HA LEU A 31 17.456 1.040 -9.092 1.00 0.00 H new ATOM 0 HB2 LEU A 31 15.051 2.916 -9.244 1.00 0.00 H new ATOM 0 HB3 LEU A 31 15.562 1.848 -10.536 1.00 0.00 H new ATOM 0 HG LEU A 31 14.594 0.966 -7.803 1.00 0.00 H new ATOM 0 HD11 LEU A 31 12.614 0.165 -9.051 1.00 0.00 H new ATOM 0 HD12 LEU A 31 12.814 1.927 -9.195 1.00 0.00 H new ATOM 0 HD13 LEU A 31 13.282 0.865 -10.544 1.00 0.00 H new ATOM 0 HD21 LEU A 31 14.560 -1.289 -8.768 1.00 0.00 H new ATOM 0 HD22 LEU A 31 15.292 -0.656 -10.262 1.00 0.00 H new ATOM 0 HD23 LEU A 31 16.203 -0.604 -8.734 1.00 0.00 H new ATOM 455 N ASP A 32 18.581 3.820 -8.943 1.00 0.00 N ATOM 456 CA ASP A 32 19.320 4.906 -9.558 1.00 0.00 C ATOM 457 C ASP A 32 20.515 5.312 -8.686 1.00 0.00 C ATOM 458 O ASP A 32 20.472 5.137 -7.475 1.00 0.00 O ATOM 459 CB ASP A 32 18.390 6.111 -9.784 1.00 0.00 C ATOM 460 CG ASP A 32 19.036 7.205 -10.595 1.00 0.00 C ATOM 461 OD1 ASP A 32 19.338 6.977 -11.786 1.00 0.00 O ATOM 462 OD2 ASP A 32 19.221 8.312 -10.046 1.00 0.00 O ATOM 0 H ASP A 32 18.757 3.694 -7.946 1.00 0.00 H new ATOM 0 HA ASP A 32 19.701 4.566 -10.521 1.00 0.00 H new ATOM 0 HB2 ASP A 32 17.485 5.775 -10.291 1.00 0.00 H new ATOM 0 HB3 ASP A 32 18.084 6.514 -8.818 1.00 0.00 H new ATOM 467 N ASP A 33 21.571 5.829 -9.317 1.00 0.00 N ATOM 468 CA ASP A 33 22.736 6.310 -8.567 1.00 0.00 C ATOM 469 C ASP A 33 22.544 7.782 -8.226 1.00 0.00 C ATOM 470 O ASP A 33 22.324 8.606 -9.116 1.00 0.00 O ATOM 471 CB ASP A 33 24.006 6.125 -9.405 1.00 0.00 C ATOM 472 CG ASP A 33 25.253 6.543 -8.658 1.00 0.00 C ATOM 473 OD1 ASP A 33 25.529 7.763 -8.569 1.00 0.00 O ATOM 474 OD2 ASP A 33 25.989 5.665 -8.164 1.00 0.00 O ATOM 0 H ASP A 33 21.645 5.925 -10.330 1.00 0.00 H new ATOM 0 HA ASP A 33 22.837 5.738 -7.645 1.00 0.00 H new ATOM 0 HB2 ASP A 33 24.095 5.079 -9.700 1.00 0.00 H new ATOM 0 HB3 ASP A 33 23.922 6.708 -10.322 1.00 0.00 H new ATOM 479 N TYR A 34 22.665 8.129 -6.953 1.00 0.00 N ATOM 480 CA TYR A 34 22.302 9.453 -6.511 1.00 0.00 C ATOM 481 C TYR A 34 23.069 9.869 -5.265 1.00 0.00 C ATOM 482 O TYR A 34 22.789 9.377 -4.163 1.00 0.00 O ATOM 483 CB TYR A 34 20.786 9.520 -6.257 1.00 0.00 C ATOM 484 CG TYR A 34 20.272 10.901 -5.940 1.00 0.00 C ATOM 485 CD1 TYR A 34 20.271 11.884 -6.912 1.00 0.00 C ATOM 486 CD2 TYR A 34 19.768 11.200 -4.689 1.00 0.00 C ATOM 487 CE1 TYR A 34 19.793 13.134 -6.641 1.00 0.00 C ATOM 488 CE2 TYR A 34 19.284 12.459 -4.407 1.00 0.00 C ATOM 489 CZ TYR A 34 19.305 13.422 -5.392 1.00 0.00 C ATOM 490 OH TYR A 34 18.818 14.691 -5.105 1.00 0.00 O ATOM 0 H TYR A 34 23.010 7.512 -6.218 1.00 0.00 H new ATOM 0 HA TYR A 34 22.570 10.154 -7.302 1.00 0.00 H new ATOM 0 HB2 TYR A 34 20.265 9.144 -7.137 1.00 0.00 H new ATOM 0 HB3 TYR A 34 20.538 8.854 -5.431 1.00 0.00 H new ATOM 0 HD1 TYR A 34 20.653 11.661 -7.897 1.00 0.00 H new ATOM 0 HD2 TYR A 34 19.753 10.438 -3.923 1.00 0.00 H new ATOM 0 HE1 TYR A 34 19.799 13.894 -7.408 1.00 0.00 H new ATOM 0 HE2 TYR A 34 18.893 12.688 -3.427 1.00 0.00 H new ATOM 0 HH TYR A 34 18.511 14.721 -4.175 1.00 0.00 H new ATOM 500 N GLU A 35 24.070 10.737 -5.468 1.00 0.00 N ATOM 501 CA GLU A 35 24.761 11.500 -4.416 1.00 0.00 C ATOM 502 C GLU A 35 25.659 10.641 -3.491 1.00 0.00 C ATOM 503 O GLU A 35 26.513 11.197 -2.809 1.00 0.00 O ATOM 504 CB GLU A 35 23.756 12.293 -3.573 1.00 0.00 C ATOM 505 CG GLU A 35 22.864 13.212 -4.405 1.00 0.00 C ATOM 506 CD GLU A 35 23.644 14.078 -5.380 1.00 0.00 C ATOM 507 OE1 GLU A 35 24.221 15.087 -4.935 1.00 0.00 O ATOM 508 OE2 GLU A 35 23.662 13.754 -6.587 1.00 0.00 O ATOM 0 H GLU A 35 24.434 10.935 -6.400 1.00 0.00 H new ATOM 0 HA GLU A 35 25.429 12.180 -4.945 1.00 0.00 H new ATOM 0 HB2 GLU A 35 23.129 11.596 -3.016 1.00 0.00 H new ATOM 0 HB3 GLU A 35 24.298 12.890 -2.840 1.00 0.00 H new ATOM 0 HG2 GLU A 35 22.146 12.607 -4.959 1.00 0.00 H new ATOM 0 HG3 GLU A 35 22.290 13.854 -3.737 1.00 0.00 H new ATOM 515 N GLU A 36 25.486 9.329 -3.522 1.00 0.00 N ATOM 516 CA GLU A 36 26.207 8.428 -2.633 1.00 0.00 C ATOM 517 C GLU A 36 25.684 7.012 -2.768 1.00 0.00 C ATOM 518 O GLU A 36 26.431 6.031 -2.634 1.00 0.00 O ATOM 519 CB GLU A 36 26.140 8.871 -1.148 1.00 0.00 C ATOM 520 CG GLU A 36 24.756 8.835 -0.542 1.00 0.00 C ATOM 521 CD GLU A 36 24.783 9.054 0.946 1.00 0.00 C ATOM 522 OE1 GLU A 36 24.919 8.068 1.696 1.00 0.00 O ATOM 523 OE2 GLU A 36 24.686 10.225 1.371 1.00 0.00 O ATOM 0 H GLU A 36 24.845 8.859 -4.161 1.00 0.00 H new ATOM 0 HA GLU A 36 27.253 8.464 -2.938 1.00 0.00 H new ATOM 0 HB2 GLU A 36 26.796 8.228 -0.561 1.00 0.00 H new ATOM 0 HB3 GLU A 36 26.531 9.885 -1.067 1.00 0.00 H new ATOM 0 HG2 GLU A 36 24.136 9.600 -1.009 1.00 0.00 H new ATOM 0 HG3 GLU A 36 24.291 7.873 -0.758 1.00 0.00 H new ATOM 530 N ILE A 37 24.404 6.893 -3.068 1.00 0.00 N ATOM 531 CA ILE A 37 23.772 5.598 -3.210 1.00 0.00 C ATOM 532 C ILE A 37 23.768 5.217 -4.686 1.00 0.00 C ATOM 533 O ILE A 37 23.736 6.104 -5.541 1.00 0.00 O ATOM 534 CB ILE A 37 22.331 5.602 -2.657 1.00 0.00 C ATOM 535 CG1 ILE A 37 22.323 6.173 -1.227 1.00 0.00 C ATOM 536 CG2 ILE A 37 21.723 4.212 -2.661 1.00 0.00 C ATOM 537 CD1 ILE A 37 23.150 5.363 -0.233 1.00 0.00 C ATOM 0 H ILE A 37 23.779 7.685 -3.219 1.00 0.00 H new ATOM 0 HA ILE A 37 24.337 4.867 -2.632 1.00 0.00 H new ATOM 0 HB ILE A 37 21.725 6.231 -3.309 1.00 0.00 H new ATOM 0 HG12 ILE A 37 22.702 7.195 -1.252 1.00 0.00 H new ATOM 0 HG13 ILE A 37 21.294 6.223 -0.872 1.00 0.00 H new ATOM 0 HG21 ILE A 37 20.709 4.257 -2.264 1.00 0.00 H new ATOM 0 HG22 ILE A 37 21.697 3.829 -3.681 1.00 0.00 H new ATOM 0 HG23 ILE A 37 22.326 3.549 -2.040 1.00 0.00 H new ATOM 0 HD11 ILE A 37 23.094 5.828 0.751 1.00 0.00 H new ATOM 0 HD12 ILE A 37 22.759 4.347 -0.177 1.00 0.00 H new ATOM 0 HD13 ILE A 37 24.189 5.334 -0.562 1.00 0.00 H new ATOM 549 N SER A 38 23.784 3.929 -5.012 1.00 0.00 N ATOM 550 CA SER A 38 23.879 3.515 -6.395 1.00 0.00 C ATOM 551 C SER A 38 22.726 2.593 -6.758 1.00 0.00 C ATOM 552 O SER A 38 22.018 2.104 -5.890 1.00 0.00 O ATOM 553 CB SER A 38 25.215 2.833 -6.642 1.00 0.00 C ATOM 554 OG SER A 38 25.447 1.752 -5.736 1.00 0.00 O ATOM 0 H SER A 38 23.733 3.164 -4.339 1.00 0.00 H new ATOM 0 HA SER A 38 23.816 4.398 -7.032 1.00 0.00 H new ATOM 0 HB2 SER A 38 25.246 2.460 -7.666 1.00 0.00 H new ATOM 0 HB3 SER A 38 26.017 3.564 -6.545 1.00 0.00 H new ATOM 0 HG SER A 38 24.695 1.681 -5.112 1.00 0.00 H new ATOM 560 N ALA A 39 22.553 2.342 -8.063 1.00 0.00 N ATOM 561 CA ALA A 39 21.528 1.461 -8.522 1.00 0.00 C ATOM 562 C ALA A 39 21.890 0.038 -8.160 1.00 0.00 C ATOM 563 O ALA A 39 23.000 -0.438 -8.438 1.00 0.00 O ATOM 564 CB ALA A 39 21.332 1.604 -10.025 1.00 0.00 C ATOM 0 H ALA A 39 23.124 2.750 -8.804 1.00 0.00 H new ATOM 0 HA ALA A 39 20.587 1.722 -8.038 1.00 0.00 H new ATOM 0 HB1 ALA A 39 20.547 0.924 -10.356 1.00 0.00 H new ATOM 0 HB2 ALA A 39 21.047 2.630 -10.259 1.00 0.00 H new ATOM 0 HB3 ALA A 39 22.262 1.360 -10.538 1.00 0.00 H new ATOM 570 N GLY A 40 20.960 -0.658 -7.515 1.00 0.00 N ATOM 571 CA GLY A 40 21.216 -2.009 -7.068 1.00 0.00 C ATOM 572 C GLY A 40 21.428 -2.104 -5.574 1.00 0.00 C ATOM 573 O GLY A 40 21.440 -3.207 -5.020 1.00 0.00 O ATOM 0 H GLY A 40 20.029 -0.305 -7.294 1.00 0.00 H new ATOM 0 HA2 GLY A 40 20.378 -2.645 -7.352 1.00 0.00 H new ATOM 0 HA3 GLY A 40 22.097 -2.395 -7.580 1.00 0.00 H new ATOM 577 N ASP A 41 21.631 -0.958 -4.936 1.00 0.00 N ATOM 578 CA ASP A 41 21.696 -0.904 -3.488 1.00 0.00 C ATOM 579 C ASP A 41 20.342 -1.246 -2.894 1.00 0.00 C ATOM 580 O ASP A 41 19.320 -0.712 -3.331 1.00 0.00 O ATOM 581 CB ASP A 41 22.136 0.465 -2.966 1.00 0.00 C ATOM 582 CG ASP A 41 23.634 0.657 -2.972 1.00 0.00 C ATOM 583 OD1 ASP A 41 24.345 -0.197 -2.400 1.00 0.00 O ATOM 584 OD2 ASP A 41 24.124 1.678 -3.519 1.00 0.00 O ATOM 0 H ASP A 41 21.753 -0.058 -5.400 1.00 0.00 H new ATOM 0 HA ASP A 41 22.445 -1.634 -3.181 1.00 0.00 H new ATOM 0 HB2 ASP A 41 21.675 1.243 -3.575 1.00 0.00 H new ATOM 0 HB3 ASP A 41 21.765 0.594 -1.949 1.00 0.00 H new ATOM 589 N GLU A 42 20.321 -2.156 -1.937 1.00 0.00 N ATOM 590 CA GLU A 42 19.071 -2.541 -1.308 1.00 0.00 C ATOM 591 C GLU A 42 19.079 -2.175 0.170 1.00 0.00 C ATOM 592 O GLU A 42 20.134 -2.191 0.817 1.00 0.00 O ATOM 593 CB GLU A 42 18.782 -4.030 -1.499 1.00 0.00 C ATOM 594 CG GLU A 42 18.655 -4.417 -2.954 1.00 0.00 C ATOM 595 CD GLU A 42 18.225 -5.868 -3.155 1.00 0.00 C ATOM 596 OE1 GLU A 42 18.895 -6.770 -2.605 1.00 0.00 O ATOM 597 OE2 GLU A 42 17.231 -6.102 -3.875 1.00 0.00 O ATOM 0 H GLU A 42 21.146 -2.638 -1.581 1.00 0.00 H new ATOM 0 HA GLU A 42 18.269 -1.987 -1.796 1.00 0.00 H new ATOM 0 HB2 GLU A 42 19.581 -4.613 -1.041 1.00 0.00 H new ATOM 0 HB3 GLU A 42 17.860 -4.287 -0.977 1.00 0.00 H new ATOM 0 HG2 GLU A 42 17.931 -3.760 -3.436 1.00 0.00 H new ATOM 0 HG3 GLU A 42 19.612 -4.256 -3.451 1.00 0.00 H new ATOM 604 N GLY A 43 17.920 -1.849 0.682 1.00 0.00 N ATOM 605 CA GLY A 43 17.816 -1.315 2.017 1.00 0.00 C ATOM 606 C GLY A 43 16.470 -1.582 2.625 1.00 0.00 C ATOM 607 O GLY A 43 15.669 -2.306 2.046 1.00 0.00 O ATOM 0 H GLY A 43 17.030 -1.944 0.192 1.00 0.00 H new ATOM 0 HA2 GLY A 43 18.591 -1.754 2.645 1.00 0.00 H new ATOM 0 HA3 GLY A 43 17.996 -0.240 1.993 1.00 0.00 H new ATOM 611 N GLU A 44 16.184 -0.979 3.763 1.00 0.00 N ATOM 612 CA GLU A 44 14.915 -1.185 4.413 1.00 0.00 C ATOM 613 C GLU A 44 14.241 0.163 4.674 1.00 0.00 C ATOM 614 O GLU A 44 14.899 1.164 4.961 1.00 0.00 O ATOM 615 CB GLU A 44 15.111 -1.949 5.719 1.00 0.00 C ATOM 616 CG GLU A 44 13.791 -2.461 6.308 1.00 0.00 C ATOM 617 CD GLU A 44 13.989 -3.122 7.638 1.00 0.00 C ATOM 618 OE1 GLU A 44 14.426 -4.290 7.673 1.00 0.00 O ATOM 619 OE2 GLU A 44 13.734 -2.467 8.675 1.00 0.00 O ATOM 0 H GLU A 44 16.816 -0.344 4.252 1.00 0.00 H new ATOM 0 HA GLU A 44 14.272 -1.777 3.762 1.00 0.00 H new ATOM 0 HB2 GLU A 44 15.778 -2.793 5.545 1.00 0.00 H new ATOM 0 HB3 GLU A 44 15.601 -1.300 6.445 1.00 0.00 H new ATOM 0 HG2 GLU A 44 13.096 -1.629 6.417 1.00 0.00 H new ATOM 0 HG3 GLU A 44 13.335 -3.169 5.616 1.00 0.00 H new ATOM 626 N PHE A 45 12.926 0.164 4.628 1.00 0.00 N ATOM 627 CA PHE A 45 12.129 1.365 4.759 1.00 0.00 C ATOM 628 C PHE A 45 11.721 1.533 6.215 1.00 0.00 C ATOM 629 O PHE A 45 11.098 0.630 6.786 1.00 0.00 O ATOM 630 CB PHE A 45 10.887 1.220 3.887 1.00 0.00 C ATOM 631 CG PHE A 45 10.121 2.483 3.658 1.00 0.00 C ATOM 632 CD1 PHE A 45 9.153 2.896 4.571 1.00 0.00 C ATOM 633 CD2 PHE A 45 10.337 3.237 2.524 1.00 0.00 C ATOM 634 CE1 PHE A 45 8.424 4.043 4.346 1.00 0.00 C ATOM 635 CE2 PHE A 45 9.614 4.383 2.295 1.00 0.00 C ATOM 636 CZ PHE A 45 8.664 4.787 3.205 1.00 0.00 C ATOM 0 H PHE A 45 12.372 -0.682 4.497 1.00 0.00 H new ATOM 0 HA PHE A 45 12.700 2.238 4.443 1.00 0.00 H new ATOM 0 HB2 PHE A 45 11.186 0.815 2.920 1.00 0.00 H new ATOM 0 HB3 PHE A 45 10.222 0.489 4.347 1.00 0.00 H new ATOM 0 HD1 PHE A 45 8.973 2.313 5.462 1.00 0.00 H new ATOM 0 HD2 PHE A 45 11.082 2.924 1.808 1.00 0.00 H new ATOM 0 HE1 PHE A 45 7.672 4.358 5.054 1.00 0.00 H new ATOM 0 HE2 PHE A 45 9.791 4.965 1.403 1.00 0.00 H new ATOM 0 HZ PHE A 45 8.102 5.692 3.027 1.00 0.00 H new ATOM 646 N ARG A 46 12.075 2.642 6.836 1.00 0.00 N ATOM 647 CA ARG A 46 11.789 2.811 8.258 1.00 0.00 C ATOM 648 C ARG A 46 10.688 3.829 8.511 1.00 0.00 C ATOM 649 O ARG A 46 9.781 3.588 9.319 1.00 0.00 O ATOM 650 CB ARG A 46 13.044 3.214 9.010 1.00 0.00 C ATOM 651 CG ARG A 46 14.279 2.413 8.645 1.00 0.00 C ATOM 652 CD ARG A 46 15.372 2.652 9.656 1.00 0.00 C ATOM 653 NE ARG A 46 15.513 4.085 9.973 1.00 0.00 N ATOM 654 CZ ARG A 46 16.595 4.618 10.547 1.00 0.00 C ATOM 655 NH1 ARG A 46 17.628 3.856 10.868 1.00 0.00 N ATOM 656 NH2 ARG A 46 16.598 5.917 10.854 1.00 0.00 N ATOM 0 H ARG A 46 12.552 3.428 6.394 1.00 0.00 H new ATOM 0 HA ARG A 46 11.437 1.847 8.625 1.00 0.00 H new ATOM 0 HB2 ARG A 46 13.242 4.269 8.822 1.00 0.00 H new ATOM 0 HB3 ARG A 46 12.861 3.109 10.079 1.00 0.00 H new ATOM 0 HG2 ARG A 46 14.035 1.351 8.607 1.00 0.00 H new ATOM 0 HG3 ARG A 46 14.625 2.697 7.651 1.00 0.00 H new ATOM 0 HD2 ARG A 46 15.153 2.097 10.568 1.00 0.00 H new ATOM 0 HD3 ARG A 46 16.317 2.270 9.269 1.00 0.00 H new ATOM 0 HE ARG A 46 14.738 4.706 9.740 1.00 0.00 H new ATOM 0 HH11 ARG A 46 17.602 2.854 10.677 1.00 0.00 H new ATOM 0 HH12 ARG A 46 18.451 4.270 11.306 1.00 0.00 H new ATOM 0 HH21 ARG A 46 15.780 6.491 10.650 1.00 0.00 H new ATOM 0 HH22 ARG A 46 17.418 6.335 11.293 1.00 0.00 H new ATOM 670 N GLN A 47 10.780 4.986 7.872 1.00 0.00 N ATOM 671 CA GLN A 47 9.842 6.063 8.136 1.00 0.00 C ATOM 672 C GLN A 47 9.762 7.032 6.972 1.00 0.00 C ATOM 673 O GLN A 47 10.660 7.094 6.139 1.00 0.00 O ATOM 674 CB GLN A 47 10.251 6.823 9.394 1.00 0.00 C ATOM 675 CG GLN A 47 11.567 7.575 9.263 1.00 0.00 C ATOM 676 CD GLN A 47 12.644 7.026 10.172 1.00 0.00 C ATOM 677 OE1 GLN A 47 13.421 6.151 9.789 1.00 0.00 O ATOM 678 NE2 GLN A 47 12.702 7.562 11.375 1.00 0.00 N ATOM 0 H GLN A 47 11.490 5.201 7.172 1.00 0.00 H new ATOM 0 HA GLN A 47 8.860 5.612 8.278 1.00 0.00 H new ATOM 0 HB2 GLN A 47 9.463 7.532 9.650 1.00 0.00 H new ATOM 0 HB3 GLN A 47 10.328 6.119 10.223 1.00 0.00 H new ATOM 0 HG2 GLN A 47 11.909 7.524 8.229 1.00 0.00 H new ATOM 0 HG3 GLN A 47 11.404 8.628 9.494 1.00 0.00 H new ATOM 0 HE21 GLN A 47 12.034 8.285 11.644 1.00 0.00 H new ATOM 0 HE22 GLN A 47 13.415 7.254 12.037 1.00 0.00 H new ATOM 687 N SER A 48 8.682 7.790 6.936 1.00 0.00 N ATOM 688 CA SER A 48 8.518 8.825 5.936 1.00 0.00 C ATOM 689 C SER A 48 8.144 10.134 6.603 1.00 0.00 C ATOM 690 O SER A 48 7.587 10.138 7.701 1.00 0.00 O ATOM 691 CB SER A 48 7.424 8.433 4.963 1.00 0.00 C ATOM 692 OG SER A 48 7.530 7.079 4.607 1.00 0.00 O ATOM 0 H SER A 48 7.904 7.707 7.590 1.00 0.00 H new ATOM 0 HA SER A 48 9.459 8.946 5.399 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.449 8.619 5.412 1.00 0.00 H new ATOM 0 HB3 SER A 48 7.487 9.054 4.069 1.00 0.00 H new ATOM 0 HG SER A 48 8.378 6.929 4.140 1.00 0.00 H new ATOM 698 N ASN A 49 8.467 11.249 5.967 1.00 0.00 N ATOM 699 CA ASN A 49 8.058 12.542 6.474 1.00 0.00 C ATOM 700 C ASN A 49 6.689 12.919 5.880 1.00 0.00 C ATOM 701 O ASN A 49 6.600 13.255 4.704 1.00 0.00 O ATOM 702 CB ASN A 49 9.106 13.624 6.161 1.00 0.00 C ATOM 703 CG ASN A 49 10.381 13.494 6.974 1.00 0.00 C ATOM 704 OD1 ASN A 49 10.720 12.277 7.405 1.00 0.00 O flip ATOM 705 ND2 ASN A 49 11.064 14.482 7.228 1.00 0.00 N flip ATOM 0 H ASN A 49 9.009 11.281 5.103 1.00 0.00 H new ATOM 0 HA ASN A 49 7.972 12.478 7.559 1.00 0.00 H new ATOM 0 HB2 ASN A 49 9.356 13.579 5.101 1.00 0.00 H new ATOM 0 HB3 ASN A 49 8.668 14.605 6.344 1.00 0.00 H new ATOM 0 HD21 ASN A 49 10.780 15.400 6.885 1.00 0.00 H new ATOM 0 HD22 ASN A 49 11.915 14.385 7.782 1.00 0.00 H new ATOM 712 N ASN A 50 5.640 12.825 6.700 1.00 0.00 N ATOM 713 CA ASN A 50 4.244 13.070 6.299 1.00 0.00 C ATOM 714 C ASN A 50 3.930 12.642 4.849 1.00 0.00 C ATOM 715 O ASN A 50 3.705 11.459 4.594 1.00 0.00 O ATOM 716 CB ASN A 50 3.816 14.527 6.601 1.00 0.00 C ATOM 717 CG ASN A 50 4.682 15.597 5.953 1.00 0.00 C ATOM 718 OD1 ASN A 50 4.420 16.022 4.823 1.00 0.00 O ATOM 719 ND2 ASN A 50 5.704 16.062 6.653 1.00 0.00 N ATOM 0 H ASN A 50 5.734 12.571 7.683 1.00 0.00 H new ATOM 0 HA ASN A 50 3.630 12.417 6.918 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.787 14.664 6.270 1.00 0.00 H new ATOM 0 HB3 ASN A 50 3.826 14.677 7.681 1.00 0.00 H new ATOM 0 HD21 ASN A 50 6.300 16.791 6.262 1.00 0.00 H new ATOM 0 HD22 ASN A 50 5.895 15.691 7.584 1.00 0.00 H new ATOM 726 N GLY A 51 3.948 13.574 3.905 1.00 0.00 N ATOM 727 CA GLY A 51 3.668 13.263 2.515 1.00 0.00 C ATOM 728 C GLY A 51 4.557 14.060 1.597 1.00 0.00 C ATOM 729 O GLY A 51 4.093 14.602 0.587 1.00 0.00 O ATOM 0 H GLY A 51 4.155 14.557 4.082 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.818 12.198 2.339 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.623 13.478 2.293 1.00 0.00 H new ATOM 733 N VAL A 52 5.824 14.152 1.963 1.00 0.00 N ATOM 734 CA VAL A 52 6.794 14.921 1.194 1.00 0.00 C ATOM 735 C VAL A 52 7.924 14.029 0.676 1.00 0.00 C ATOM 736 O VAL A 52 8.044 12.881 1.102 1.00 0.00 O ATOM 737 CB VAL A 52 7.369 16.091 2.031 1.00 0.00 C ATOM 738 CG1 VAL A 52 6.284 17.115 2.319 1.00 0.00 C ATOM 739 CG2 VAL A 52 7.993 15.609 3.323 1.00 0.00 C ATOM 0 H VAL A 52 6.209 13.701 2.793 1.00 0.00 H new ATOM 0 HA VAL A 52 6.271 15.340 0.334 1.00 0.00 H new ATOM 0 HB VAL A 52 8.157 16.559 1.442 1.00 0.00 H new ATOM 0 HG11 VAL A 52 6.702 17.932 2.908 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.895 17.507 1.379 1.00 0.00 H new ATOM 0 HG13 VAL A 52 5.476 16.642 2.877 1.00 0.00 H new ATOM 0 HG21 VAL A 52 8.384 16.462 3.879 1.00 0.00 H new ATOM 0 HG22 VAL A 52 7.239 15.099 3.923 1.00 0.00 H new ATOM 0 HG23 VAL A 52 8.806 14.919 3.099 1.00 0.00 H new ATOM 749 N PRO A 53 8.746 14.524 -0.271 1.00 0.00 N ATOM 750 CA PRO A 53 9.845 13.752 -0.848 1.00 0.00 C ATOM 751 C PRO A 53 10.776 13.107 0.189 1.00 0.00 C ATOM 752 O PRO A 53 11.030 11.909 0.082 1.00 0.00 O ATOM 753 CB PRO A 53 10.617 14.768 -1.698 1.00 0.00 C ATOM 754 CG PRO A 53 9.652 15.857 -1.976 1.00 0.00 C ATOM 755 CD PRO A 53 8.646 15.868 -0.863 1.00 0.00 C ATOM 0 HA PRO A 53 9.452 12.907 -1.413 1.00 0.00 H new ATOM 0 HB2 PRO A 53 11.491 15.143 -1.166 1.00 0.00 H new ATOM 0 HB3 PRO A 53 10.977 14.315 -2.622 1.00 0.00 H new ATOM 0 HG2 PRO A 53 10.165 16.817 -2.038 1.00 0.00 H new ATOM 0 HG3 PRO A 53 9.160 15.697 -2.935 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.871 16.643 -0.131 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.641 16.065 -1.237 1.00 0.00 H new ATOM 763 N PRO A 54 11.321 13.860 1.175 1.00 0.00 N ATOM 764 CA PRO A 54 12.281 13.302 2.149 1.00 0.00 C ATOM 765 C PRO A 54 11.755 12.059 2.887 1.00 0.00 C ATOM 766 O PRO A 54 10.777 12.120 3.642 1.00 0.00 O ATOM 767 CB PRO A 54 12.531 14.453 3.138 1.00 0.00 C ATOM 768 CG PRO A 54 11.472 15.449 2.870 1.00 0.00 C ATOM 769 CD PRO A 54 11.089 15.287 1.431 1.00 0.00 C ATOM 0 HA PRO A 54 13.183 12.956 1.645 1.00 0.00 H new ATOM 0 HB2 PRO A 54 12.485 14.101 4.168 1.00 0.00 H new ATOM 0 HB3 PRO A 54 13.521 14.886 2.993 1.00 0.00 H new ATOM 0 HG2 PRO A 54 10.613 15.286 3.521 1.00 0.00 H new ATOM 0 HG3 PRO A 54 11.832 16.459 3.064 1.00 0.00 H new ATOM 0 HD2 PRO A 54 10.048 15.562 1.259 1.00 0.00 H new ATOM 0 HD3 PRO A 54 11.697 15.916 0.780 1.00 0.00 H new ATOM 777 N VAL A 55 12.420 10.938 2.641 1.00 0.00 N ATOM 778 CA VAL A 55 12.090 9.690 3.279 1.00 0.00 C ATOM 779 C VAL A 55 13.350 9.068 3.872 1.00 0.00 C ATOM 780 O VAL A 55 14.414 9.102 3.253 1.00 0.00 O ATOM 781 CB VAL A 55 11.419 8.700 2.281 1.00 0.00 C ATOM 782 CG1 VAL A 55 12.337 8.339 1.129 1.00 0.00 C ATOM 783 CG2 VAL A 55 10.948 7.446 3.008 1.00 0.00 C ATOM 0 H VAL A 55 13.203 10.878 1.991 1.00 0.00 H new ATOM 0 HA VAL A 55 11.374 9.893 4.076 1.00 0.00 H new ATOM 0 HB VAL A 55 10.553 9.206 1.854 1.00 0.00 H new ATOM 0 HG11 VAL A 55 11.826 7.647 0.460 1.00 0.00 H new ATOM 0 HG12 VAL A 55 12.606 9.242 0.581 1.00 0.00 H new ATOM 0 HG13 VAL A 55 13.240 7.868 1.517 1.00 0.00 H new ATOM 0 HG21 VAL A 55 10.482 6.766 2.295 1.00 0.00 H new ATOM 0 HG22 VAL A 55 11.801 6.954 3.475 1.00 0.00 H new ATOM 0 HG23 VAL A 55 10.224 7.720 3.775 1.00 0.00 H new ATOM 793 N GLN A 56 13.234 8.499 5.058 1.00 0.00 N ATOM 794 CA GLN A 56 14.399 7.961 5.740 1.00 0.00 C ATOM 795 C GLN A 56 14.517 6.461 5.485 1.00 0.00 C ATOM 796 O GLN A 56 13.707 5.657 6.004 1.00 0.00 O ATOM 797 CB GLN A 56 14.320 8.227 7.250 1.00 0.00 C ATOM 798 CG GLN A 56 15.607 7.926 7.985 1.00 0.00 C ATOM 799 CD GLN A 56 16.685 8.953 7.714 1.00 0.00 C ATOM 800 OE1 GLN A 56 17.472 8.723 6.672 1.00 0.00 O flip ATOM 801 NE2 GLN A 56 16.809 9.947 8.432 1.00 0.00 N flip ATOM 0 H GLN A 56 12.355 8.397 5.566 1.00 0.00 H new ATOM 0 HA GLN A 56 15.283 8.462 5.345 1.00 0.00 H new ATOM 0 HB2 GLN A 56 14.054 9.271 7.413 1.00 0.00 H new ATOM 0 HB3 GLN A 56 13.518 7.623 7.676 1.00 0.00 H new ATOM 0 HG2 GLN A 56 15.409 7.887 9.056 1.00 0.00 H new ATOM 0 HG3 GLN A 56 15.967 6.940 7.691 1.00 0.00 H new ATOM 0 HE21 GLN A 56 16.182 10.085 9.224 1.00 0.00 H new ATOM 0 HE22 GLN A 56 17.539 10.631 8.234 1.00 0.00 H new ATOM 810 N VAL A 57 15.500 6.083 4.708 1.00 0.00 N ATOM 811 CA VAL A 57 15.711 4.694 4.366 1.00 0.00 C ATOM 812 C VAL A 57 17.081 4.243 4.871 1.00 0.00 C ATOM 813 O VAL A 57 18.065 4.969 4.751 1.00 0.00 O ATOM 814 CB VAL A 57 15.626 4.466 2.847 1.00 0.00 C ATOM 815 CG1 VAL A 57 15.944 3.023 2.488 1.00 0.00 C ATOM 816 CG2 VAL A 57 14.243 4.839 2.319 1.00 0.00 C ATOM 0 H VAL A 57 16.176 6.725 4.294 1.00 0.00 H new ATOM 0 HA VAL A 57 14.924 4.109 4.842 1.00 0.00 H new ATOM 0 HB VAL A 57 16.369 5.110 2.377 1.00 0.00 H new ATOM 0 HG11 VAL A 57 15.876 2.893 1.408 1.00 0.00 H new ATOM 0 HG12 VAL A 57 16.953 2.780 2.820 1.00 0.00 H new ATOM 0 HG13 VAL A 57 15.231 2.360 2.979 1.00 0.00 H new ATOM 0 HG21 VAL A 57 14.207 4.670 1.243 1.00 0.00 H new ATOM 0 HG22 VAL A 57 13.488 4.224 2.809 1.00 0.00 H new ATOM 0 HG23 VAL A 57 14.045 5.890 2.528 1.00 0.00 H new ATOM 826 N PHE A 58 17.127 3.056 5.466 1.00 0.00 N ATOM 827 CA PHE A 58 18.387 2.482 5.901 1.00 0.00 C ATOM 828 C PHE A 58 18.910 1.547 4.823 1.00 0.00 C ATOM 829 O PHE A 58 18.292 0.528 4.522 1.00 0.00 O ATOM 830 CB PHE A 58 18.215 1.717 7.202 1.00 0.00 C ATOM 831 CG PHE A 58 19.484 1.098 7.718 1.00 0.00 C ATOM 832 CD1 PHE A 58 20.477 1.881 8.295 1.00 0.00 C ATOM 833 CD2 PHE A 58 19.709 -0.262 7.607 1.00 0.00 C ATOM 834 CE1 PHE A 58 21.662 1.323 8.747 1.00 0.00 C ATOM 835 CE2 PHE A 58 20.888 -0.826 8.063 1.00 0.00 C ATOM 836 CZ PHE A 58 21.860 -0.027 8.629 1.00 0.00 C ATOM 0 H PHE A 58 16.308 2.478 5.656 1.00 0.00 H new ATOM 0 HA PHE A 58 19.099 3.290 6.071 1.00 0.00 H new ATOM 0 HB2 PHE A 58 17.818 2.393 7.959 1.00 0.00 H new ATOM 0 HB3 PHE A 58 17.473 0.932 7.055 1.00 0.00 H new ATOM 0 HD1 PHE A 58 20.322 2.945 8.393 1.00 0.00 H new ATOM 0 HD2 PHE A 58 18.955 -0.892 7.159 1.00 0.00 H new ATOM 0 HE1 PHE A 58 22.424 1.948 9.189 1.00 0.00 H new ATOM 0 HE2 PHE A 58 21.047 -1.891 7.976 1.00 0.00 H new ATOM 0 HZ PHE A 58 22.781 -0.468 8.981 1.00 0.00 H new ATOM 846 N TRP A 59 20.041 1.896 4.248 1.00 0.00 N ATOM 847 CA TRP A 59 20.611 1.107 3.168 1.00 0.00 C ATOM 848 C TRP A 59 21.481 0.003 3.747 1.00 0.00 C ATOM 849 O TRP A 59 22.536 0.267 4.310 1.00 0.00 O ATOM 850 CB TRP A 59 21.377 2.002 2.209 1.00 0.00 C ATOM 851 CG TRP A 59 20.489 2.948 1.469 1.00 0.00 C ATOM 852 CD1 TRP A 59 20.415 4.305 1.629 1.00 0.00 C ATOM 853 CD2 TRP A 59 19.530 2.613 0.458 1.00 0.00 C ATOM 854 NE1 TRP A 59 19.478 4.832 0.775 1.00 0.00 N ATOM 855 CE2 TRP A 59 18.915 3.816 0.049 1.00 0.00 C ATOM 856 CE3 TRP A 59 19.126 1.419 -0.137 1.00 0.00 C ATOM 857 CZ2 TRP A 59 17.921 3.857 -0.916 1.00 0.00 C ATOM 858 CZ3 TRP A 59 18.134 1.464 -1.097 1.00 0.00 C ATOM 859 CH2 TRP A 59 17.542 2.679 -1.474 1.00 0.00 C ATOM 0 H TRP A 59 20.586 2.719 4.507 1.00 0.00 H new ATOM 0 HA TRP A 59 19.814 0.634 2.594 1.00 0.00 H new ATOM 0 HB2 TRP A 59 22.122 2.570 2.766 1.00 0.00 H new ATOM 0 HB3 TRP A 59 21.917 1.382 1.493 1.00 0.00 H new ATOM 0 HD1 TRP A 59 21.008 4.878 2.326 1.00 0.00 H new ATOM 0 HE1 TRP A 59 19.240 5.820 0.694 1.00 0.00 H new ATOM 0 HE3 TRP A 59 19.578 0.480 0.146 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 17.466 4.790 -1.213 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 17.808 0.547 -1.566 1.00 0.00 H new ATOM 0 HH2 TRP A 59 16.767 2.677 -2.226 1.00 0.00 H new ATOM 870 N GLU A 60 21.048 -1.239 3.564 1.00 0.00 N ATOM 871 CA GLU A 60 21.687 -2.379 4.200 1.00 0.00 C ATOM 872 C GLU A 60 23.062 -2.634 3.589 1.00 0.00 C ATOM 873 O GLU A 60 24.027 -2.965 4.290 1.00 0.00 O ATOM 874 CB GLU A 60 20.826 -3.635 4.050 1.00 0.00 C ATOM 875 CG GLU A 60 19.427 -3.483 4.613 1.00 0.00 C ATOM 876 CD GLU A 60 18.537 -4.669 4.292 1.00 0.00 C ATOM 877 OE1 GLU A 60 18.171 -4.836 3.106 1.00 0.00 O ATOM 878 OE2 GLU A 60 18.194 -5.435 5.220 1.00 0.00 O ATOM 0 H GLU A 60 20.251 -1.480 2.975 1.00 0.00 H new ATOM 0 HA GLU A 60 21.802 -2.149 5.259 1.00 0.00 H new ATOM 0 HB2 GLU A 60 20.757 -3.894 2.993 1.00 0.00 H new ATOM 0 HB3 GLU A 60 21.322 -4.467 4.551 1.00 0.00 H new ATOM 0 HG2 GLU A 60 19.486 -3.360 5.694 1.00 0.00 H new ATOM 0 HG3 GLU A 60 18.975 -2.575 4.213 1.00 0.00 H new ATOM 885 N SER A 61 23.148 -2.454 2.275 1.00 0.00 N ATOM 886 CA SER A 61 24.375 -2.677 1.532 1.00 0.00 C ATOM 887 C SER A 61 25.476 -1.686 1.908 1.00 0.00 C ATOM 888 O SER A 61 26.655 -2.037 1.944 1.00 0.00 O ATOM 889 CB SER A 61 24.084 -2.609 0.022 1.00 0.00 C ATOM 890 OG SER A 61 23.272 -1.476 -0.278 1.00 0.00 O ATOM 0 H SER A 61 22.365 -2.149 1.698 1.00 0.00 H new ATOM 0 HA SER A 61 24.743 -3.669 1.794 1.00 0.00 H new ATOM 0 HB2 SER A 61 25.020 -2.550 -0.533 1.00 0.00 H new ATOM 0 HB3 SER A 61 23.580 -3.521 -0.299 1.00 0.00 H new ATOM 0 HG SER A 61 23.562 -1.081 -1.127 1.00 0.00 H new ATOM 896 N THR A 62 25.086 -0.456 2.204 1.00 0.00 N ATOM 897 CA THR A 62 26.032 0.566 2.587 1.00 0.00 C ATOM 898 C THR A 62 26.220 0.578 4.097 1.00 0.00 C ATOM 899 O THR A 62 27.329 0.499 4.602 1.00 0.00 O ATOM 900 CB THR A 62 25.542 1.950 2.117 1.00 0.00 C ATOM 901 OG1 THR A 62 24.790 1.827 0.904 1.00 0.00 O ATOM 902 CG2 THR A 62 26.709 2.899 1.894 1.00 0.00 C ATOM 0 H THR A 62 24.115 -0.146 2.184 1.00 0.00 H new ATOM 0 HA THR A 62 26.987 0.343 2.112 1.00 0.00 H new ATOM 0 HB THR A 62 24.904 2.359 2.901 1.00 0.00 H new ATOM 0 HG1 THR A 62 24.484 2.713 0.618 1.00 0.00 H new ATOM 0 HG21 THR A 62 26.333 3.867 1.563 1.00 0.00 H new ATOM 0 HG22 THR A 62 27.260 3.023 2.826 1.00 0.00 H new ATOM 0 HG23 THR A 62 27.372 2.488 1.133 1.00 0.00 H new ATOM 910 N GLY A 63 25.103 0.678 4.810 1.00 0.00 N ATOM 911 CA GLY A 63 25.137 0.681 6.248 1.00 0.00 C ATOM 912 C GLY A 63 24.827 2.036 6.828 1.00 0.00 C ATOM 913 O GLY A 63 25.083 2.304 8.003 1.00 0.00 O ATOM 0 H GLY A 63 24.170 0.757 4.406 1.00 0.00 H new ATOM 0 HA2 GLY A 63 24.419 -0.046 6.627 1.00 0.00 H new ATOM 0 HA3 GLY A 63 26.123 0.361 6.586 1.00 0.00 H new ATOM 917 N ARG A 64 24.258 2.911 6.002 1.00 0.00 N ATOM 918 CA ARG A 64 23.932 4.269 6.416 1.00 0.00 C ATOM 919 C ARG A 64 22.501 4.609 6.051 1.00 0.00 C ATOM 920 O ARG A 64 21.944 4.018 5.135 1.00 0.00 O ATOM 921 CB ARG A 64 24.873 5.286 5.753 1.00 0.00 C ATOM 922 CG ARG A 64 26.350 5.034 5.988 1.00 0.00 C ATOM 923 CD ARG A 64 27.202 6.143 5.393 1.00 0.00 C ATOM 924 NE ARG A 64 26.807 6.471 4.019 1.00 0.00 N ATOM 925 CZ ARG A 64 27.523 6.142 2.946 1.00 0.00 C ATOM 926 NH1 ARG A 64 28.677 5.499 3.062 1.00 0.00 N ATOM 927 NH2 ARG A 64 27.074 6.471 1.721 1.00 0.00 N ATOM 0 H ARG A 64 24.012 2.699 5.035 1.00 0.00 H new ATOM 0 HA ARG A 64 24.054 4.321 7.498 1.00 0.00 H new ATOM 0 HB2 ARG A 64 24.685 5.287 4.679 1.00 0.00 H new ATOM 0 HB3 ARG A 64 24.626 6.282 6.121 1.00 0.00 H new ATOM 0 HG2 ARG A 64 26.542 4.959 7.058 1.00 0.00 H new ATOM 0 HG3 ARG A 64 26.633 4.079 5.546 1.00 0.00 H new ATOM 0 HD2 ARG A 64 27.120 7.034 6.015 1.00 0.00 H new ATOM 0 HD3 ARG A 64 28.249 5.840 5.405 1.00 0.00 H new ATOM 0 HE ARG A 64 25.934 6.980 3.878 1.00 0.00 H new ATOM 0 HH11 ARG A 64 29.030 5.248 3.985 1.00 0.00 H new ATOM 0 HH12 ARG A 64 29.211 5.256 2.228 1.00 0.00 H new ATOM 0 HH21 ARG A 64 26.190 6.969 1.619 1.00 0.00 H new ATOM 0 HH22 ARG A 64 27.618 6.222 0.895 1.00 0.00 H new ATOM 941 N THR A 65 21.911 5.544 6.787 1.00 0.00 N ATOM 942 CA THR A 65 20.617 6.081 6.410 1.00 0.00 C ATOM 943 C THR A 65 20.775 7.245 5.447 1.00 0.00 C ATOM 944 O THR A 65 21.774 7.967 5.460 1.00 0.00 O ATOM 945 CB THR A 65 19.858 6.580 7.675 1.00 0.00 C ATOM 946 OG1 THR A 65 20.761 7.289 8.543 1.00 0.00 O ATOM 947 CG2 THR A 65 19.235 5.418 8.414 1.00 0.00 C ATOM 0 H THR A 65 22.307 5.940 7.640 1.00 0.00 H new ATOM 0 HA THR A 65 20.052 5.285 5.924 1.00 0.00 H new ATOM 0 HB THR A 65 19.063 7.255 7.358 1.00 0.00 H new ATOM 0 HG1 THR A 65 20.276 7.601 9.335 1.00 0.00 H new ATOM 0 HG21 THR A 65 18.709 5.787 9.295 1.00 0.00 H new ATOM 0 HG22 THR A 65 18.530 4.906 7.759 1.00 0.00 H new ATOM 0 HG23 THR A 65 20.015 4.722 8.722 1.00 0.00 H new ATOM 955 N TYR A 66 19.797 7.396 4.580 1.00 0.00 N ATOM 956 CA TYR A 66 19.790 8.464 3.589 1.00 0.00 C ATOM 957 C TYR A 66 18.347 8.844 3.259 1.00 0.00 C ATOM 958 O TYR A 66 17.459 7.993 3.289 1.00 0.00 O ATOM 959 CB TYR A 66 20.528 7.993 2.318 1.00 0.00 C ATOM 960 CG TYR A 66 20.626 9.034 1.228 1.00 0.00 C ATOM 961 CD1 TYR A 66 21.402 10.163 1.399 1.00 0.00 C ATOM 962 CD2 TYR A 66 19.958 8.878 0.032 1.00 0.00 C ATOM 963 CE1 TYR A 66 21.502 11.113 0.408 1.00 0.00 C ATOM 964 CE2 TYR A 66 20.048 9.821 -0.975 1.00 0.00 C ATOM 965 CZ TYR A 66 20.827 10.950 -0.778 1.00 0.00 C ATOM 966 OH TYR A 66 20.918 11.908 -1.752 1.00 0.00 O ATOM 0 H TYR A 66 18.982 6.785 4.538 1.00 0.00 H new ATOM 0 HA TYR A 66 20.302 9.340 3.988 1.00 0.00 H new ATOM 0 HB2 TYR A 66 21.534 7.678 2.593 1.00 0.00 H new ATOM 0 HB3 TYR A 66 20.017 7.116 1.920 1.00 0.00 H new ATOM 0 HD1 TYR A 66 21.939 10.303 2.325 1.00 0.00 H new ATOM 0 HD2 TYR A 66 19.350 7.999 -0.122 1.00 0.00 H new ATOM 0 HE1 TYR A 66 22.113 11.990 0.563 1.00 0.00 H new ATOM 0 HE2 TYR A 66 19.517 9.679 -1.905 1.00 0.00 H new ATOM 0 HH TYR A 66 20.395 11.631 -2.533 1.00 0.00 H new ATOM 976 N TRP A 67 18.116 10.117 2.995 1.00 0.00 N ATOM 977 CA TRP A 67 16.802 10.568 2.549 1.00 0.00 C ATOM 978 C TRP A 67 16.741 10.483 1.035 1.00 0.00 C ATOM 979 O TRP A 67 17.465 11.187 0.334 1.00 0.00 O ATOM 980 CB TRP A 67 16.519 12.000 2.979 1.00 0.00 C ATOM 981 CG TRP A 67 16.265 12.181 4.449 1.00 0.00 C ATOM 982 CD1 TRP A 67 15.276 11.619 5.200 1.00 0.00 C ATOM 983 CD2 TRP A 67 17.031 13.002 5.347 1.00 0.00 C ATOM 984 NE1 TRP A 67 15.368 12.034 6.501 1.00 0.00 N ATOM 985 CE2 TRP A 67 16.445 12.870 6.613 1.00 0.00 C ATOM 986 CE3 TRP A 67 18.155 13.819 5.189 1.00 0.00 C ATOM 987 CZ2 TRP A 67 16.951 13.550 7.728 1.00 0.00 C ATOM 988 CZ3 TRP A 67 18.660 14.479 6.299 1.00 0.00 C ATOM 989 CH2 TRP A 67 18.052 14.346 7.556 1.00 0.00 C ATOM 0 H TRP A 67 18.814 10.856 3.080 1.00 0.00 H new ATOM 0 HA TRP A 67 16.049 9.925 3.006 1.00 0.00 H new ATOM 0 HB2 TRP A 67 17.365 12.624 2.692 1.00 0.00 H new ATOM 0 HB3 TRP A 67 15.652 12.365 2.428 1.00 0.00 H new ATOM 0 HD1 TRP A 67 14.525 10.941 4.822 1.00 0.00 H new ATOM 0 HE1 TRP A 67 14.740 11.765 7.259 1.00 0.00 H new ATOM 0 HE3 TRP A 67 18.621 13.934 4.221 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 16.485 13.449 8.697 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 19.534 15.105 6.194 1.00 0.00 H new ATOM 0 HH2 TRP A 67 18.459 14.880 8.402 1.00 0.00 H new ATOM 1000 N VAL A 68 15.875 9.609 0.526 1.00 0.00 N ATOM 1001 CA VAL A 68 15.820 9.379 -0.922 1.00 0.00 C ATOM 1002 C VAL A 68 14.488 9.904 -1.492 1.00 0.00 C ATOM 1003 O VAL A 68 13.665 10.418 -0.758 1.00 0.00 O ATOM 1004 CB VAL A 68 15.941 7.864 -1.241 1.00 0.00 C ATOM 1005 CG1 VAL A 68 16.707 7.649 -2.552 1.00 0.00 C ATOM 1006 CG2 VAL A 68 16.633 7.126 -0.089 1.00 0.00 C ATOM 0 H VAL A 68 15.215 9.059 1.076 1.00 0.00 H new ATOM 0 HA VAL A 68 16.654 9.911 -1.380 1.00 0.00 H new ATOM 0 HB VAL A 68 14.937 7.457 -1.358 1.00 0.00 H new ATOM 0 HG11 VAL A 68 16.782 6.581 -2.759 1.00 0.00 H new ATOM 0 HG12 VAL A 68 16.177 8.141 -3.368 1.00 0.00 H new ATOM 0 HG13 VAL A 68 17.708 8.072 -2.462 1.00 0.00 H new ATOM 0 HG21 VAL A 68 16.709 6.066 -0.330 1.00 0.00 H new ATOM 0 HG22 VAL A 68 17.632 7.537 0.059 1.00 0.00 H new ATOM 0 HG23 VAL A 68 16.051 7.250 0.824 1.00 0.00 H new ATOM 1016 N HIS A 69 14.321 9.793 -2.798 1.00 0.00 N ATOM 1017 CA HIS A 69 13.051 10.157 -3.438 1.00 0.00 C ATOM 1018 C HIS A 69 12.262 8.908 -3.802 1.00 0.00 C ATOM 1019 O HIS A 69 12.828 7.945 -4.329 1.00 0.00 O ATOM 1020 CB HIS A 69 13.305 11.026 -4.667 1.00 0.00 C ATOM 1021 CG HIS A 69 13.963 12.330 -4.325 1.00 0.00 C ATOM 1022 ND1 HIS A 69 14.817 12.990 -5.174 1.00 0.00 N ATOM 1023 CD2 HIS A 69 13.876 13.081 -3.207 1.00 0.00 C ATOM 1024 CE1 HIS A 69 15.237 14.105 -4.592 1.00 0.00 C ATOM 1025 NE2 HIS A 69 14.677 14.185 -3.402 1.00 0.00 N ATOM 0 H HIS A 69 15.039 9.457 -3.440 1.00 0.00 H new ATOM 0 HA HIS A 69 12.456 10.737 -2.732 1.00 0.00 H new ATOM 0 HB2 HIS A 69 13.933 10.480 -5.370 1.00 0.00 H new ATOM 0 HB3 HIS A 69 12.359 11.222 -5.171 1.00 0.00 H new ATOM 0 HD2 HIS A 69 13.290 12.859 -2.327 1.00 0.00 H new ATOM 0 HE1 HIS A 69 15.920 14.824 -5.020 1.00 0.00 H new ATOM 0 HE2 HIS A 69 14.814 14.942 -2.733 1.00 0.00 H new ATOM 1034 N TRP A 70 10.971 8.932 -3.524 1.00 0.00 N ATOM 1035 CA TRP A 70 10.086 7.772 -3.694 1.00 0.00 C ATOM 1036 C TRP A 70 10.216 7.102 -5.067 1.00 0.00 C ATOM 1037 O TRP A 70 10.284 5.875 -5.164 1.00 0.00 O ATOM 1038 CB TRP A 70 8.641 8.179 -3.465 1.00 0.00 C ATOM 1039 CG TRP A 70 8.391 8.813 -2.137 1.00 0.00 C ATOM 1040 CD1 TRP A 70 8.596 10.116 -1.784 1.00 0.00 C ATOM 1041 CD2 TRP A 70 7.880 8.164 -0.963 1.00 0.00 C ATOM 1042 NE1 TRP A 70 8.239 10.328 -0.491 1.00 0.00 N ATOM 1043 CE2 TRP A 70 7.802 9.138 0.044 1.00 0.00 C ATOM 1044 CE3 TRP A 70 7.482 6.861 -0.681 1.00 0.00 C ATOM 1045 CZ2 TRP A 70 7.352 8.855 1.314 1.00 0.00 C ATOM 1046 CZ3 TRP A 70 7.024 6.576 0.595 1.00 0.00 C ATOM 1047 CH2 TRP A 70 6.965 7.570 1.585 1.00 0.00 C ATOM 0 H TRP A 70 10.494 9.761 -3.170 1.00 0.00 H new ATOM 0 HA TRP A 70 10.398 7.038 -2.951 1.00 0.00 H new ATOM 0 HB2 TRP A 70 8.341 8.874 -4.250 1.00 0.00 H new ATOM 0 HB3 TRP A 70 8.007 7.298 -3.560 1.00 0.00 H new ATOM 0 HD1 TRP A 70 8.989 10.875 -2.444 1.00 0.00 H new ATOM 0 HE1 TRP A 70 8.287 11.220 0.001 1.00 0.00 H new ATOM 0 HE3 TRP A 70 7.529 6.092 -1.437 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 7.306 9.622 2.073 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 6.707 5.571 0.833 1.00 0.00 H new ATOM 0 HH2 TRP A 70 6.610 7.318 2.573 1.00 0.00 H new ATOM 1058 N HIS A 71 10.253 7.910 -6.130 1.00 0.00 N ATOM 1059 CA HIS A 71 10.203 7.393 -7.512 1.00 0.00 C ATOM 1060 C HIS A 71 11.432 6.564 -7.890 1.00 0.00 C ATOM 1061 O HIS A 71 11.437 5.949 -8.946 1.00 0.00 O ATOM 1062 CB HIS A 71 10.048 8.555 -8.509 1.00 0.00 C ATOM 1063 CG HIS A 71 11.257 9.452 -8.633 1.00 0.00 C ATOM 1064 ND1 HIS A 71 11.312 10.727 -8.116 1.00 0.00 N ATOM 1065 CD2 HIS A 71 12.461 9.245 -9.228 1.00 0.00 C ATOM 1066 CE1 HIS A 71 12.492 11.256 -8.386 1.00 0.00 C ATOM 1067 NE2 HIS A 71 13.207 10.380 -9.065 1.00 0.00 N ATOM 0 H HIS A 71 10.317 8.926 -6.066 1.00 0.00 H new ATOM 0 HA HIS A 71 9.338 6.731 -7.560 1.00 0.00 H new ATOM 0 HB2 HIS A 71 9.817 8.143 -9.491 1.00 0.00 H new ATOM 0 HB3 HIS A 71 9.193 9.161 -8.208 1.00 0.00 H new ATOM 0 HD2 HIS A 71 12.773 8.346 -9.738 1.00 0.00 H new ATOM 0 HE1 HIS A 71 12.818 12.244 -8.098 1.00 0.00 H new ATOM 0 HE2 HIS A 71 14.156 10.524 -9.410 1.00 0.00 H new ATOM 1076 N MET A 72 12.457 6.546 -7.057 1.00 0.00 N ATOM 1077 CA MET A 72 13.682 5.814 -7.406 1.00 0.00 C ATOM 1078 C MET A 72 13.856 4.564 -6.542 1.00 0.00 C ATOM 1079 O MET A 72 14.902 3.915 -6.551 1.00 0.00 O ATOM 1080 CB MET A 72 14.894 6.737 -7.296 1.00 0.00 C ATOM 1081 CG MET A 72 15.246 7.115 -5.862 1.00 0.00 C ATOM 1082 SD MET A 72 15.696 8.851 -5.690 1.00 0.00 S ATOM 1083 CE MET A 72 17.058 8.993 -6.826 1.00 0.00 C ATOM 0 H MET A 72 12.477 7.015 -6.152 1.00 0.00 H new ATOM 0 HA MET A 72 13.595 5.477 -8.439 1.00 0.00 H new ATOM 0 HB2 MET A 72 15.754 6.250 -7.756 1.00 0.00 H new ATOM 0 HB3 MET A 72 14.701 7.646 -7.865 1.00 0.00 H new ATOM 0 HG2 MET A 72 14.396 6.899 -5.215 1.00 0.00 H new ATOM 0 HG3 MET A 72 16.074 6.494 -5.520 1.00 0.00 H new ATOM 0 HE1 MET A 72 17.942 9.342 -6.292 1.00 0.00 H new ATOM 0 HE2 MET A 72 17.264 8.019 -7.271 1.00 0.00 H new ATOM 0 HE3 MET A 72 16.804 9.705 -7.611 1.00 0.00 H new ATOM 1093 N LEU A 73 12.817 4.233 -5.777 1.00 0.00 N ATOM 1094 CA LEU A 73 12.824 3.052 -4.929 1.00 0.00 C ATOM 1095 C LEU A 73 11.892 1.988 -5.476 1.00 0.00 C ATOM 1096 O LEU A 73 10.774 2.281 -5.899 1.00 0.00 O ATOM 1097 CB LEU A 73 12.402 3.394 -3.485 1.00 0.00 C ATOM 1098 CG LEU A 73 13.485 3.924 -2.556 1.00 0.00 C ATOM 1099 CD1 LEU A 73 13.975 5.295 -2.985 1.00 0.00 C ATOM 1100 CD2 LEU A 73 12.975 3.986 -1.134 1.00 0.00 C ATOM 0 H LEU A 73 11.954 4.775 -5.730 1.00 0.00 H new ATOM 0 HA LEU A 73 13.845 2.672 -4.920 1.00 0.00 H new ATOM 0 HB2 LEU A 73 11.604 4.135 -3.532 1.00 0.00 H new ATOM 0 HB3 LEU A 73 11.978 2.497 -3.034 1.00 0.00 H new ATOM 0 HG LEU A 73 14.326 3.233 -2.611 1.00 0.00 H new ATOM 0 HD11 LEU A 73 14.747 5.637 -2.296 1.00 0.00 H new ATOM 0 HD12 LEU A 73 14.388 5.235 -3.992 1.00 0.00 H new ATOM 0 HD13 LEU A 73 13.142 5.998 -2.975 1.00 0.00 H new ATOM 0 HD21 LEU A 73 13.761 4.367 -0.482 1.00 0.00 H new ATOM 0 HD22 LEU A 73 12.111 4.649 -1.086 1.00 0.00 H new ATOM 0 HD23 LEU A 73 12.685 2.987 -0.808 1.00 0.00 H new ATOM 1112 N GLU A 74 12.372 0.750 -5.474 1.00 0.00 N ATOM 1113 CA GLU A 74 11.535 -0.371 -5.847 1.00 0.00 C ATOM 1114 C GLU A 74 11.117 -1.107 -4.587 1.00 0.00 C ATOM 1115 O GLU A 74 11.886 -1.245 -3.649 1.00 0.00 O ATOM 1116 CB GLU A 74 12.274 -1.294 -6.799 1.00 0.00 C ATOM 1117 CG GLU A 74 11.493 -2.527 -7.207 1.00 0.00 C ATOM 1118 CD GLU A 74 12.075 -3.217 -8.424 1.00 0.00 C ATOM 1119 OE1 GLU A 74 13.297 -3.476 -8.452 1.00 0.00 O ATOM 1120 OE2 GLU A 74 11.313 -3.505 -9.374 1.00 0.00 O ATOM 0 H GLU A 74 13.329 0.504 -5.220 1.00 0.00 H new ATOM 0 HA GLU A 74 10.646 -0.012 -6.366 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.540 -0.734 -7.696 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.207 -1.608 -6.331 1.00 0.00 H new ATOM 0 HG2 GLU A 74 11.470 -3.229 -6.374 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.461 -2.245 -7.414 1.00 0.00 H new ATOM 1127 N ILE A 75 9.882 -1.569 -4.559 1.00 0.00 N ATOM 1128 CA ILE A 75 9.326 -2.188 -3.361 1.00 0.00 C ATOM 1129 C ILE A 75 9.548 -3.703 -3.348 1.00 0.00 C ATOM 1130 O ILE A 75 9.294 -4.388 -4.336 1.00 0.00 O ATOM 1131 CB ILE A 75 7.815 -1.871 -3.226 1.00 0.00 C ATOM 1132 CG1 ILE A 75 7.201 -2.634 -2.055 1.00 0.00 C ATOM 1133 CG2 ILE A 75 7.070 -2.197 -4.519 1.00 0.00 C ATOM 1134 CD1 ILE A 75 5.723 -2.361 -1.855 1.00 0.00 C ATOM 0 H ILE A 75 9.240 -1.530 -5.351 1.00 0.00 H new ATOM 0 HA ILE A 75 9.854 -1.764 -2.507 1.00 0.00 H new ATOM 0 HB ILE A 75 7.716 -0.803 -3.032 1.00 0.00 H new ATOM 0 HG12 ILE A 75 7.345 -3.703 -2.214 1.00 0.00 H new ATOM 0 HG13 ILE A 75 7.736 -2.372 -1.142 1.00 0.00 H new ATOM 0 HG21 ILE A 75 6.012 -1.965 -4.397 1.00 0.00 H new ATOM 0 HG22 ILE A 75 7.480 -1.602 -5.335 1.00 0.00 H new ATOM 0 HG23 ILE A 75 7.186 -3.256 -4.748 1.00 0.00 H new ATOM 0 HD11 ILE A 75 5.358 -2.938 -1.005 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.572 -1.299 -1.664 1.00 0.00 H new ATOM 0 HD13 ILE A 75 5.175 -2.650 -2.752 1.00 0.00 H new ATOM 1146 N LEU A 76 10.048 -4.212 -2.234 1.00 0.00 N ATOM 1147 CA LEU A 76 10.251 -5.640 -2.056 1.00 0.00 C ATOM 1148 C LEU A 76 9.246 -6.182 -1.032 1.00 0.00 C ATOM 1149 O LEU A 76 9.593 -7.021 -0.205 1.00 0.00 O ATOM 1150 CB LEU A 76 11.688 -5.949 -1.608 1.00 0.00 C ATOM 1151 CG LEU A 76 12.745 -5.859 -2.709 1.00 0.00 C ATOM 1152 CD1 LEU A 76 12.992 -4.419 -3.133 1.00 0.00 C ATOM 1153 CD2 LEU A 76 14.048 -6.498 -2.237 1.00 0.00 C ATOM 0 H LEU A 76 10.324 -3.649 -1.430 1.00 0.00 H new ATOM 0 HA LEU A 76 10.090 -6.131 -3.016 1.00 0.00 H new ATOM 0 HB2 LEU A 76 11.959 -5.259 -0.809 1.00 0.00 H new ATOM 0 HB3 LEU A 76 11.712 -6.953 -1.184 1.00 0.00 H new ATOM 0 HG LEU A 76 12.369 -6.401 -3.577 1.00 0.00 H new ATOM 0 HD11 LEU A 76 13.749 -4.395 -3.917 1.00 0.00 H new ATOM 0 HD12 LEU A 76 12.065 -3.987 -3.510 1.00 0.00 H new ATOM 0 HD13 LEU A 76 13.339 -3.842 -2.276 1.00 0.00 H new ATOM 0 HD21 LEU A 76 14.795 -6.429 -3.028 1.00 0.00 H new ATOM 0 HD22 LEU A 76 14.409 -5.976 -1.351 1.00 0.00 H new ATOM 0 HD23 LEU A 76 13.872 -7.546 -1.994 1.00 0.00 H new ATOM 1165 N GLY A 77 8.014 -5.717 -1.146 1.00 0.00 N ATOM 1166 CA GLY A 77 6.979 -6.121 -0.218 1.00 0.00 C ATOM 1167 C GLY A 77 6.369 -7.442 -0.615 1.00 0.00 C ATOM 1168 O GLY A 77 5.202 -7.512 -1.007 1.00 0.00 O ATOM 0 H GLY A 77 7.710 -5.064 -1.868 1.00 0.00 H new ATOM 0 HA2 GLY A 77 7.398 -6.199 0.785 1.00 0.00 H new ATOM 0 HA3 GLY A 77 6.203 -5.357 -0.181 1.00 0.00 H new ATOM 1172 N PHE A 78 7.189 -8.482 -0.523 1.00 0.00 N ATOM 1173 CA PHE A 78 6.800 -9.869 -0.807 1.00 0.00 C ATOM 1174 C PHE A 78 5.973 -10.016 -2.084 1.00 0.00 C ATOM 1175 O PHE A 78 5.115 -10.900 -2.179 1.00 0.00 O ATOM 1176 CB PHE A 78 6.089 -10.513 0.390 1.00 0.00 C ATOM 1177 CG PHE A 78 4.866 -9.788 0.898 1.00 0.00 C ATOM 1178 CD1 PHE A 78 3.628 -10.016 0.326 1.00 0.00 C ATOM 1179 CD2 PHE A 78 4.955 -8.887 1.951 1.00 0.00 C ATOM 1180 CE1 PHE A 78 2.501 -9.369 0.784 1.00 0.00 C ATOM 1181 CE2 PHE A 78 3.829 -8.228 2.417 1.00 0.00 C ATOM 1182 CZ PHE A 78 2.598 -8.477 1.828 1.00 0.00 C ATOM 0 H PHE A 78 8.165 -8.389 -0.243 1.00 0.00 H new ATOM 0 HA PHE A 78 7.731 -10.409 -0.981 1.00 0.00 H new ATOM 0 HB2 PHE A 78 5.798 -11.526 0.113 1.00 0.00 H new ATOM 0 HB3 PHE A 78 6.803 -10.599 1.209 1.00 0.00 H new ATOM 0 HD1 PHE A 78 3.543 -10.713 -0.494 1.00 0.00 H new ATOM 0 HD2 PHE A 78 5.913 -8.698 2.412 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.543 -9.561 0.325 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.909 -7.525 3.233 1.00 0.00 H new ATOM 0 HZ PHE A 78 1.715 -7.971 2.189 1.00 0.00 H new ATOM 1192 N GLU A 79 6.256 -9.185 -3.080 1.00 0.00 N ATOM 1193 CA GLU A 79 5.601 -9.314 -4.371 1.00 0.00 C ATOM 1194 C GLU A 79 6.493 -10.105 -5.313 1.00 0.00 C ATOM 1195 O GLU A 79 6.015 -10.944 -6.078 1.00 0.00 O ATOM 1196 CB GLU A 79 5.289 -7.945 -4.967 1.00 0.00 C ATOM 1197 CG GLU A 79 4.232 -7.987 -6.044 1.00 0.00 C ATOM 1198 CD GLU A 79 2.921 -8.513 -5.516 1.00 0.00 C ATOM 1199 OE1 GLU A 79 2.231 -7.760 -4.804 1.00 0.00 O ATOM 1200 OE2 GLU A 79 2.579 -9.681 -5.795 1.00 0.00 O ATOM 0 H GLU A 79 6.929 -8.421 -3.018 1.00 0.00 H new ATOM 0 HA GLU A 79 4.657 -9.841 -4.232 1.00 0.00 H new ATOM 0 HB2 GLU A 79 4.960 -7.277 -4.171 1.00 0.00 H new ATOM 0 HB3 GLU A 79 6.203 -7.521 -5.382 1.00 0.00 H new ATOM 0 HG2 GLU A 79 4.086 -6.986 -6.450 1.00 0.00 H new ATOM 0 HG3 GLU A 79 4.573 -8.617 -6.865 1.00 0.00 H new ATOM 1207 N GLU A 80 7.786 -9.854 -5.224 1.00 0.00 N ATOM 1208 CA GLU A 80 8.765 -10.606 -5.995 1.00 0.00 C ATOM 1209 C GLU A 80 9.041 -11.916 -5.285 1.00 0.00 C ATOM 1210 O GLU A 80 9.311 -12.950 -5.908 1.00 0.00 O ATOM 1211 CB GLU A 80 10.071 -9.826 -6.135 1.00 0.00 C ATOM 1212 CG GLU A 80 9.918 -8.477 -6.803 1.00 0.00 C ATOM 1213 CD GLU A 80 11.240 -7.754 -6.949 1.00 0.00 C ATOM 1214 OE1 GLU A 80 12.114 -7.910 -6.074 1.00 0.00 O ATOM 1215 OE2 GLU A 80 11.426 -7.010 -7.940 1.00 0.00 O ATOM 0 H GLU A 80 8.186 -9.133 -4.624 1.00 0.00 H new ATOM 0 HA GLU A 80 8.364 -10.785 -6.993 1.00 0.00 H new ATOM 0 HB2 GLU A 80 10.503 -9.682 -5.145 1.00 0.00 H new ATOM 0 HB3 GLU A 80 10.779 -10.425 -6.708 1.00 0.00 H new ATOM 0 HG2 GLU A 80 9.469 -8.610 -7.787 1.00 0.00 H new ATOM 0 HG3 GLU A 80 9.232 -7.862 -6.221 1.00 0.00 H new TER 1222 GLU A 80