USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 858 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: B 14 LYS NZ :NH3+ -178:sc= 0.0365 (180deg=0) USER MOD Set 1.2: B 16 GLN : amide:sc= -0.472 K(o=-0.44,f=-1.7) USER MOD Set 2.1: A 27 THR OG1 : rot -150:sc= -0.0869 USER MOD Set 2.2: B 5 GLN : amide:sc= -5.76! C(o=-5.8!,f=-6.7!) USER MOD Set 3.1: A 29 GLN : amide:sc= -3.39! C(o=-3.9!,f=-6!) USER MOD Set 3.2: A 62 TYR OH : rot -15:sc= -0.487 USER MOD Set 4.1: A 5 GLN : amide:sc= -3.39 X(o=-3.4,f=-3) USER MOD Set 4.2: B 27 THR OG1 : rot 97:sc= -0.0463 USER MOD Single : A 3 ASN :FLIP amide:sc= 0.391 F(o=-2.7!,f=0.39) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 170:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 17 SER OG : rot -112:sc= 0.118 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= -0.49 USER MOD Single : A 35 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00905) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 3 ASN : amide:sc= -5.13! C(o=-5.1!,f=-11!) USER MOD Single : B 8 SER OG : rot 180:sc= 0 USER MOD Single : B 10 THR OG1 : rot 180:sc= 0 USER MOD Single : B 13 SER OG : rot 180:sc= 0 USER MOD Single : B 17 SER OG : rot 180:sc= -0.326 USER MOD Single : B 21 LYS NZ :NH3+ 159:sc= -0.244 (180deg=-1.2!) USER MOD Single : B 29 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : B 33 SER OG : rot 180:sc= 0 USER MOD Single : B 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 38 LYS NZ :NH3+ -163:sc= -0.0401 (180deg=-0.385) USER MOD Single : B 62 TYR OH : rot 30:sc= -0.486 USER MOD ----------------------------------------------------------------- ATOM 32 N ASN A 3 -10.626 8.640 -8.821 1.00 0.00 N ATOM 33 CA ASN A 3 -9.433 8.599 -7.923 1.00 0.00 C ATOM 34 C ASN A 3 -9.649 7.539 -6.838 1.00 0.00 C ATOM 35 O ASN A 3 -8.793 7.280 -6.016 1.00 0.00 O ATOM 36 CB ASN A 3 -9.260 9.978 -7.269 1.00 0.00 C ATOM 37 CG ASN A 3 -10.549 10.388 -6.558 1.00 0.00 C ATOM 38 OD1 ASN A 3 -10.466 11.074 -5.454 1.00 0.00 O flip ATOM 39 ND2 ASN A 3 -11.635 10.083 -7.007 1.00 0.00 N flip ATOM 0 HA ASN A 3 -8.541 8.347 -8.497 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -8.436 9.950 -6.556 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -9.002 10.718 -8.026 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -11.697 9.546 -7.872 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -12.486 10.364 -6.519 1.00 0.00 H new ATOM 46 N ARG A 4 -10.801 6.927 -6.829 1.00 0.00 N ATOM 47 CA ARG A 4 -11.097 5.894 -5.793 1.00 0.00 C ATOM 48 C ARG A 4 -10.278 4.632 -6.067 1.00 0.00 C ATOM 49 O ARG A 4 -10.123 4.205 -7.199 1.00 0.00 O ATOM 50 CB ARG A 4 -12.593 5.557 -5.824 1.00 0.00 C ATOM 51 CG ARG A 4 -13.437 6.833 -5.689 1.00 0.00 C ATOM 52 CD ARG A 4 -13.457 7.309 -4.233 1.00 0.00 C ATOM 53 NE ARG A 4 -14.015 6.233 -3.363 1.00 0.00 N ATOM 54 CZ ARG A 4 -15.303 6.014 -3.311 1.00 0.00 C ATOM 55 NH1 ARG A 4 -16.124 6.722 -4.043 1.00 0.00 N ATOM 56 NH2 ARG A 4 -15.768 5.079 -2.536 1.00 0.00 N ATOM 0 H ARG A 4 -11.553 7.098 -7.496 1.00 0.00 H new ATOM 0 HA ARG A 4 -10.831 6.282 -4.810 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -12.838 5.050 -6.757 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -12.833 4.868 -5.014 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -13.029 7.616 -6.329 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -14.455 6.641 -6.030 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -12.448 7.566 -3.910 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -14.060 8.213 -4.143 1.00 0.00 H new ATOM 0 HE ARG A 4 -13.384 5.661 -2.802 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -15.760 7.449 -4.659 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -17.128 6.547 -3.998 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -15.129 4.520 -1.972 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -16.772 4.905 -2.493 1.00 0.00 H new ATOM 70 N GLN A 5 -9.742 4.033 -5.036 1.00 0.00 N ATOM 71 CA GLN A 5 -8.919 2.803 -5.227 1.00 0.00 C ATOM 72 C GLN A 5 -9.101 1.863 -4.038 1.00 0.00 C ATOM 73 O GLN A 5 -9.434 2.279 -2.939 1.00 0.00 O ATOM 74 CB GLN A 5 -7.447 3.192 -5.348 1.00 0.00 C ATOM 75 CG GLN A 5 -7.275 4.097 -6.562 1.00 0.00 C ATOM 76 CD GLN A 5 -5.791 4.274 -6.881 1.00 0.00 C ATOM 77 OE1 GLN A 5 -5.436 4.629 -7.987 1.00 0.00 O ATOM 78 NE2 GLN A 5 -4.900 4.030 -5.959 1.00 0.00 N ATOM 0 H GLN A 5 -9.839 4.343 -4.069 1.00 0.00 H new ATOM 0 HA GLN A 5 -9.241 2.294 -6.136 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -7.117 3.706 -4.445 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -6.829 2.300 -5.452 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -7.791 3.668 -7.421 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -7.731 5.068 -6.369 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -5.196 3.732 -5.030 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -3.907 4.138 -6.168 1.00 0.00 H new ATOM 87 N PHE A 6 -8.882 0.593 -4.258 1.00 0.00 N ATOM 88 CA PHE A 6 -9.030 -0.415 -3.166 1.00 0.00 C ATOM 89 C PHE A 6 -7.653 -0.952 -2.802 1.00 0.00 C ATOM 90 O PHE A 6 -6.944 -1.494 -3.633 1.00 0.00 O ATOM 91 CB PHE A 6 -9.909 -1.560 -3.665 1.00 0.00 C ATOM 92 CG PHE A 6 -11.136 -0.983 -4.329 1.00 0.00 C ATOM 93 CD1 PHE A 6 -11.034 -0.411 -5.604 1.00 0.00 C ATOM 94 CD2 PHE A 6 -12.373 -1.011 -3.673 1.00 0.00 C ATOM 95 CE1 PHE A 6 -12.166 0.130 -6.223 1.00 0.00 C ATOM 96 CE2 PHE A 6 -13.507 -0.470 -4.293 1.00 0.00 C ATOM 97 CZ PHE A 6 -13.404 0.100 -5.567 1.00 0.00 C ATOM 0 H PHE A 6 -8.603 0.206 -5.160 1.00 0.00 H new ATOM 0 HA PHE A 6 -9.488 0.043 -2.289 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -9.355 -2.180 -4.370 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -10.198 -2.203 -2.834 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -10.080 -0.388 -6.110 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -12.453 -1.450 -2.689 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -12.086 0.570 -7.206 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -14.461 -0.493 -3.787 1.00 0.00 H new ATOM 0 HZ PHE A 6 -14.278 0.517 -6.045 1.00 0.00 H new ATOM 107 N LEU A 7 -7.261 -0.798 -1.568 1.00 0.00 N ATOM 108 CA LEU A 7 -5.918 -1.278 -1.124 1.00 0.00 C ATOM 109 C LEU A 7 -6.097 -2.414 -0.119 1.00 0.00 C ATOM 110 O LEU A 7 -6.766 -2.267 0.890 1.00 0.00 O ATOM 111 CB LEU A 7 -5.174 -0.118 -0.460 1.00 0.00 C ATOM 112 CG LEU A 7 -3.679 -0.464 -0.295 1.00 0.00 C ATOM 113 CD1 LEU A 7 -2.881 0.821 -0.068 1.00 0.00 C ATOM 114 CD2 LEU A 7 -3.463 -1.436 0.887 1.00 0.00 C ATOM 0 H LEU A 7 -7.819 -0.355 -0.838 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.348 -1.640 -1.980 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.281 0.784 -1.063 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -5.614 0.095 0.514 1.00 0.00 H new ATOM 0 HG LEU A 7 -3.333 -0.955 -1.204 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.825 0.578 0.049 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.008 1.484 -0.924 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.240 1.318 0.833 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -2.401 -1.664 0.981 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -3.818 -0.974 1.808 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -4.017 -2.357 0.706 1.00 0.00 H new ATOM 126 N SER A 8 -5.500 -3.545 -0.390 1.00 0.00 N ATOM 127 CA SER A 8 -5.614 -4.717 0.533 1.00 0.00 C ATOM 128 C SER A 8 -4.223 -5.201 0.916 1.00 0.00 C ATOM 129 O SER A 8 -3.271 -5.079 0.164 1.00 0.00 O ATOM 130 CB SER A 8 -6.367 -5.849 -0.164 1.00 0.00 C ATOM 131 OG SER A 8 -5.481 -6.535 -1.040 1.00 0.00 O ATOM 0 H SER A 8 -4.931 -3.710 -1.221 1.00 0.00 H new ATOM 0 HA SER A 8 -6.157 -4.416 1.429 1.00 0.00 H new ATOM 0 HB2 SER A 8 -6.773 -6.540 0.575 1.00 0.00 H new ATOM 0 HB3 SER A 8 -7.212 -5.448 -0.724 1.00 0.00 H new ATOM 0 HG SER A 8 -5.961 -7.263 -1.487 1.00 0.00 H new ATOM 137 N LEU A 9 -4.094 -5.743 2.093 1.00 0.00 N ATOM 138 CA LEU A 9 -2.764 -6.235 2.554 1.00 0.00 C ATOM 139 C LEU A 9 -2.956 -7.446 3.467 1.00 0.00 C ATOM 140 O LEU A 9 -3.914 -7.523 4.220 1.00 0.00 O ATOM 141 CB LEU A 9 -2.051 -5.119 3.318 1.00 0.00 C ATOM 142 CG LEU A 9 -0.611 -5.540 3.642 1.00 0.00 C ATOM 143 CD1 LEU A 9 0.197 -5.739 2.342 1.00 0.00 C ATOM 144 CD2 LEU A 9 0.043 -4.455 4.507 1.00 0.00 C ATOM 0 H LEU A 9 -4.855 -5.868 2.760 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.162 -6.527 1.694 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.046 -4.206 2.723 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.589 -4.897 4.239 1.00 0.00 H new ATOM 0 HG LEU A 9 -0.624 -6.485 4.185 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.216 -6.037 2.589 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.272 -6.515 1.737 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.218 -4.805 1.780 1.00 0.00 H new ATOM 0 HD21 LEU A 9 1.067 -4.745 4.742 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.050 -3.511 3.963 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -0.522 -4.337 5.431 1.00 0.00 H new ATOM 156 N THR A 10 -2.056 -8.398 3.397 1.00 0.00 N ATOM 157 CA THR A 10 -2.165 -9.629 4.243 1.00 0.00 C ATOM 158 C THR A 10 -0.874 -9.839 5.038 1.00 0.00 C ATOM 159 O THR A 10 0.155 -9.255 4.753 1.00 0.00 O ATOM 160 CB THR A 10 -2.390 -10.850 3.347 1.00 0.00 C ATOM 161 OG1 THR A 10 -1.137 -11.306 2.859 1.00 0.00 O ATOM 162 CG2 THR A 10 -3.289 -10.474 2.169 1.00 0.00 C ATOM 0 H THR A 10 -1.242 -8.374 2.783 1.00 0.00 H new ATOM 0 HA THR A 10 -3.003 -9.506 4.930 1.00 0.00 H new ATOM 0 HB THR A 10 -2.872 -11.639 3.925 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.253 -12.175 2.420 1.00 0.00 H new ATOM 0 HG21 THR A 10 -3.444 -11.348 1.536 1.00 0.00 H new ATOM 0 HG22 THR A 10 -4.250 -10.121 2.543 1.00 0.00 H new ATOM 0 HG23 THR A 10 -2.814 -9.684 1.587 1.00 0.00 H new ATOM 170 N GLY A 11 -0.936 -10.674 6.037 1.00 0.00 N ATOM 171 CA GLY A 11 0.265 -10.951 6.880 1.00 0.00 C ATOM 172 C GLY A 11 0.424 -9.839 7.923 1.00 0.00 C ATOM 173 O GLY A 11 1.474 -9.665 8.513 1.00 0.00 O ATOM 0 H GLY A 11 -1.777 -11.183 6.310 1.00 0.00 H new ATOM 0 HA2 GLY A 11 0.160 -11.916 7.375 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.156 -11.008 6.255 1.00 0.00 H new ATOM 177 N VAL A 12 -0.612 -9.080 8.149 1.00 0.00 N ATOM 178 CA VAL A 12 -0.529 -7.972 9.143 1.00 0.00 C ATOM 179 C VAL A 12 -0.395 -8.535 10.562 1.00 0.00 C ATOM 180 O VAL A 12 -1.092 -9.453 10.956 1.00 0.00 O ATOM 181 CB VAL A 12 -1.786 -7.095 9.047 1.00 0.00 C ATOM 182 CG1 VAL A 12 -3.002 -7.845 9.597 1.00 0.00 C ATOM 183 CG2 VAL A 12 -1.579 -5.813 9.858 1.00 0.00 C ATOM 0 H VAL A 12 -1.516 -9.179 7.687 1.00 0.00 H new ATOM 0 HA VAL A 12 0.351 -7.368 8.923 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.961 -6.849 8.000 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.885 -7.211 9.522 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.160 -8.756 9.019 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.828 -8.103 10.642 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.471 -5.191 9.789 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.394 -6.068 10.901 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.724 -5.266 9.461 1.00 0.00 H new ATOM 193 N SER A 13 0.502 -7.981 11.330 1.00 0.00 N ATOM 194 CA SER A 13 0.695 -8.452 12.728 1.00 0.00 C ATOM 195 C SER A 13 -0.486 -7.991 13.577 1.00 0.00 C ATOM 196 O SER A 13 -1.042 -8.741 14.356 1.00 0.00 O ATOM 197 CB SER A 13 1.989 -7.847 13.272 1.00 0.00 C ATOM 198 OG SER A 13 2.422 -8.590 14.402 1.00 0.00 O ATOM 0 H SER A 13 1.114 -7.216 11.045 1.00 0.00 H new ATOM 0 HA SER A 13 0.756 -9.540 12.757 1.00 0.00 H new ATOM 0 HB2 SER A 13 2.759 -7.856 12.501 1.00 0.00 H new ATOM 0 HB3 SER A 13 1.827 -6.805 13.549 1.00 0.00 H new ATOM 0 HG SER A 13 3.253 -8.203 14.749 1.00 0.00 H new ATOM 204 N LYS A 14 -0.875 -6.756 13.427 1.00 0.00 N ATOM 205 CA LYS A 14 -2.025 -6.238 14.218 1.00 0.00 C ATOM 206 C LYS A 14 -2.393 -4.832 13.745 1.00 0.00 C ATOM 207 O LYS A 14 -1.609 -4.146 13.114 1.00 0.00 O ATOM 208 CB LYS A 14 -1.663 -6.203 15.710 1.00 0.00 C ATOM 209 CG LYS A 14 -0.401 -5.330 15.943 1.00 0.00 C ATOM 210 CD LYS A 14 -0.798 -3.943 16.473 1.00 0.00 C ATOM 211 CE LYS A 14 -1.055 -4.013 17.982 1.00 0.00 C ATOM 212 NZ LYS A 14 -1.359 -2.652 18.496 1.00 0.00 N ATOM 0 H LYS A 14 -0.446 -6.083 12.791 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.879 -6.900 14.072 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.499 -5.804 16.284 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.483 -7.216 16.071 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.263 -5.822 16.654 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.153 -5.225 15.010 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.006 -3.224 16.264 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.692 -3.591 15.959 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.887 -4.686 18.189 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -0.182 -4.419 18.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.534 -2.699 19.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.552 -2.023 18.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.204 -2.281 18.017 1.00 0.00 H new ATOM 226 N VAL A 15 -3.586 -4.405 14.047 1.00 0.00 N ATOM 227 CA VAL A 15 -4.041 -3.047 13.633 1.00 0.00 C ATOM 228 C VAL A 15 -3.729 -2.035 14.737 1.00 0.00 C ATOM 229 O VAL A 15 -4.322 -2.049 15.802 1.00 0.00 O ATOM 230 CB VAL A 15 -5.547 -3.091 13.369 1.00 0.00 C ATOM 231 CG1 VAL A 15 -6.051 -1.695 12.996 1.00 0.00 C ATOM 232 CG2 VAL A 15 -5.828 -4.055 12.211 1.00 0.00 C ATOM 0 H VAL A 15 -4.275 -4.945 14.570 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.519 -2.742 12.726 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.060 -3.431 14.269 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -7.124 -1.733 12.809 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.850 -1.005 13.815 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.539 -1.351 12.098 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -6.900 -4.090 12.019 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.310 -3.710 11.316 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.474 -5.052 12.473 1.00 0.00 H new ATOM 242 N GLN A 16 -2.805 -1.154 14.486 1.00 0.00 N ATOM 243 CA GLN A 16 -2.442 -0.130 15.505 1.00 0.00 C ATOM 244 C GLN A 16 -3.603 0.851 15.683 1.00 0.00 C ATOM 245 O GLN A 16 -3.897 1.296 16.775 1.00 0.00 O ATOM 246 CB GLN A 16 -1.194 0.626 15.035 1.00 0.00 C ATOM 247 CG GLN A 16 -0.763 1.620 16.118 1.00 0.00 C ATOM 248 CD GLN A 16 0.511 2.349 15.682 1.00 0.00 C ATOM 249 OE1 GLN A 16 0.526 3.033 14.677 1.00 0.00 O ATOM 250 NE2 GLN A 16 1.593 2.233 16.406 1.00 0.00 N ATOM 0 H GLN A 16 -2.281 -1.098 13.613 1.00 0.00 H new ATOM 0 HA GLN A 16 -2.237 -0.617 16.458 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -0.386 -0.076 14.828 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -1.404 1.153 14.104 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -1.560 2.341 16.300 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -0.588 1.095 17.057 1.00 0.00 H new ATOM 0 HE21 GLN A 16 1.583 1.660 17.250 1.00 0.00 H new ATOM 0 HE22 GLN A 16 2.447 2.716 16.127 1.00 0.00 H new ATOM 259 N SER A 17 -4.268 1.200 14.617 1.00 0.00 N ATOM 260 CA SER A 17 -5.405 2.158 14.741 1.00 0.00 C ATOM 261 C SER A 17 -6.291 2.096 13.498 1.00 0.00 C ATOM 262 O SER A 17 -5.861 1.713 12.424 1.00 0.00 O ATOM 263 CB SER A 17 -4.874 3.581 14.896 1.00 0.00 C ATOM 264 OG SER A 17 -5.967 4.469 15.099 1.00 0.00 O ATOM 0 H SER A 17 -4.077 0.867 13.672 1.00 0.00 H new ATOM 0 HA SER A 17 -5.990 1.883 15.619 1.00 0.00 H new ATOM 0 HB2 SER A 17 -4.185 3.635 15.739 1.00 0.00 H new ATOM 0 HB3 SER A 17 -4.314 3.872 14.007 1.00 0.00 H new ATOM 0 HG SER A 17 -6.056 5.061 14.323 1.00 0.00 H new ATOM 270 N PHE A 18 -7.526 2.482 13.640 1.00 0.00 N ATOM 271 CA PHE A 18 -8.469 2.472 12.486 1.00 0.00 C ATOM 272 C PHE A 18 -9.367 3.705 12.570 1.00 0.00 C ATOM 273 O PHE A 18 -10.275 3.772 13.378 1.00 0.00 O ATOM 274 CB PHE A 18 -9.318 1.188 12.522 1.00 0.00 C ATOM 275 CG PHE A 18 -10.563 1.367 11.675 1.00 0.00 C ATOM 276 CD1 PHE A 18 -10.443 1.578 10.298 1.00 0.00 C ATOM 277 CD2 PHE A 18 -11.831 1.345 12.273 1.00 0.00 C ATOM 278 CE1 PHE A 18 -11.588 1.761 9.515 1.00 0.00 C ATOM 279 CE2 PHE A 18 -12.977 1.524 11.490 1.00 0.00 C ATOM 280 CZ PHE A 18 -12.856 1.737 10.110 1.00 0.00 C ATOM 0 H PHE A 18 -7.929 2.809 14.518 1.00 0.00 H new ATOM 0 HA PHE A 18 -7.912 2.494 11.549 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -8.734 0.345 12.152 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -9.597 0.955 13.550 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -9.466 1.600 9.839 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -11.923 1.190 13.338 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -11.494 1.921 8.451 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -13.954 1.498 11.949 1.00 0.00 H new ATOM 0 HZ PHE A 18 -13.739 1.882 9.506 1.00 0.00 H new ATOM 290 N ASP A 19 -9.121 4.677 11.730 1.00 0.00 N ATOM 291 CA ASP A 19 -9.957 5.916 11.721 1.00 0.00 C ATOM 292 C ASP A 19 -10.333 6.236 10.265 1.00 0.00 C ATOM 293 O ASP A 19 -9.569 5.966 9.359 1.00 0.00 O ATOM 294 CB ASP A 19 -9.168 7.096 12.326 1.00 0.00 C ATOM 295 CG ASP A 19 -8.210 6.581 13.396 1.00 0.00 C ATOM 296 OD1 ASP A 19 -8.688 6.088 14.403 1.00 0.00 O ATOM 297 OD2 ASP A 19 -7.012 6.693 13.191 1.00 0.00 O ATOM 0 H ASP A 19 -8.368 4.665 11.042 1.00 0.00 H new ATOM 0 HA ASP A 19 -10.855 5.759 12.318 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -8.611 7.612 11.544 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -9.856 7.822 12.759 1.00 0.00 H new ATOM 302 N PRO A 20 -11.487 6.806 10.035 1.00 0.00 N ATOM 303 CA PRO A 20 -11.939 7.174 8.660 1.00 0.00 C ATOM 304 C PRO A 20 -11.101 8.322 8.088 1.00 0.00 C ATOM 305 O PRO A 20 -11.076 8.563 6.895 1.00 0.00 O ATOM 306 CB PRO A 20 -13.405 7.605 8.859 1.00 0.00 C ATOM 307 CG PRO A 20 -13.497 8.023 10.294 1.00 0.00 C ATOM 308 CD PRO A 20 -12.479 7.174 11.053 1.00 0.00 C ATOM 0 HA PRO A 20 -11.832 6.353 7.951 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -13.669 8.425 8.192 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -14.090 6.785 8.642 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -13.277 9.085 10.405 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -14.503 7.863 10.682 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -12.023 7.734 11.869 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -12.945 6.292 11.493 1.00 0.00 H new ATOM 316 N LYS A 21 -10.414 9.032 8.940 1.00 0.00 N ATOM 317 CA LYS A 21 -9.567 10.170 8.478 1.00 0.00 C ATOM 318 C LYS A 21 -8.097 9.733 8.456 1.00 0.00 C ATOM 319 O LYS A 21 -7.233 10.430 7.962 1.00 0.00 O ATOM 320 CB LYS A 21 -9.749 11.337 9.448 1.00 0.00 C ATOM 321 CG LYS A 21 -11.183 11.867 9.342 1.00 0.00 C ATOM 322 CD LYS A 21 -11.422 12.952 10.401 1.00 0.00 C ATOM 323 CE LYS A 21 -10.766 14.268 9.970 1.00 0.00 C ATOM 324 NZ LYS A 21 -11.222 15.366 10.868 1.00 0.00 N ATOM 0 H LYS A 21 -10.403 8.871 9.947 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.860 10.477 7.474 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.544 11.012 10.468 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -9.038 12.130 9.217 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.356 12.275 8.346 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.892 11.051 9.479 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -12.492 13.101 10.544 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -11.014 12.631 11.359 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.681 14.177 10.011 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -11.028 14.496 8.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.778 16.260 10.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -12.256 15.458 10.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -10.951 15.148 11.848 1.00 0.00 H new ATOM 338 N GLU A 22 -7.810 8.578 8.992 1.00 0.00 N ATOM 339 CA GLU A 22 -6.398 8.088 9.005 1.00 0.00 C ATOM 340 C GLU A 22 -6.359 6.644 9.497 1.00 0.00 C ATOM 341 O GLU A 22 -6.984 6.300 10.483 1.00 0.00 O ATOM 342 CB GLU A 22 -5.543 8.957 9.929 1.00 0.00 C ATOM 343 CG GLU A 22 -4.093 8.464 9.880 1.00 0.00 C ATOM 344 CD GLU A 22 -3.203 9.420 10.674 1.00 0.00 C ATOM 345 OE1 GLU A 22 -3.132 9.268 11.882 1.00 0.00 O ATOM 346 OE2 GLU A 22 -2.602 10.285 10.058 1.00 0.00 O ATOM 0 H GLU A 22 -8.490 7.951 9.422 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.000 8.144 7.992 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.596 10.001 9.619 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.923 8.908 10.950 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.025 7.458 10.295 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.752 8.406 8.846 1.00 0.00 H new ATOM 353 N ILE A 23 -5.633 5.792 8.817 1.00 0.00 N ATOM 354 CA ILE A 23 -5.549 4.355 9.240 1.00 0.00 C ATOM 355 C ILE A 23 -4.091 3.938 9.395 1.00 0.00 C ATOM 356 O ILE A 23 -3.271 4.158 8.523 1.00 0.00 O ATOM 357 CB ILE A 23 -6.235 3.475 8.197 1.00 0.00 C ATOM 358 CG1 ILE A 23 -7.726 3.820 8.170 1.00 0.00 C ATOM 359 CG2 ILE A 23 -6.051 2.003 8.569 1.00 0.00 C ATOM 360 CD1 ILE A 23 -8.403 3.127 6.989 1.00 0.00 C ATOM 0 H ILE A 23 -5.093 6.028 7.985 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.051 4.235 10.200 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.797 3.649 7.214 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -8.196 3.509 9.103 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -7.856 4.899 8.092 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.541 1.376 7.824 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.988 1.766 8.601 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.493 1.817 9.548 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.463 3.379 6.979 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.942 3.460 6.059 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -8.287 2.047 7.086 1.00 0.00 H new ATOM 372 N LEU A 24 -3.767 3.337 10.510 1.00 0.00 N ATOM 373 CA LEU A 24 -2.364 2.887 10.768 1.00 0.00 C ATOM 374 C LEU A 24 -2.350 1.368 10.883 1.00 0.00 C ATOM 375 O LEU A 24 -3.090 0.786 11.657 1.00 0.00 O ATOM 376 CB LEU A 24 -1.870 3.497 12.080 1.00 0.00 C ATOM 377 CG LEU A 24 -2.050 5.018 12.038 1.00 0.00 C ATOM 378 CD1 LEU A 24 -1.578 5.625 13.361 1.00 0.00 C ATOM 379 CD2 LEU A 24 -1.231 5.602 10.881 1.00 0.00 C ATOM 0 H LEU A 24 -4.424 3.136 11.264 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.715 3.206 9.952 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.425 3.078 12.919 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.820 3.249 12.236 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.103 5.254 11.887 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.706 6.707 13.331 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.166 5.213 14.181 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.525 5.388 13.515 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.361 6.684 10.853 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.177 5.366 11.026 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.573 5.171 9.940 1.00 0.00 H new ATOM 391 N LEU A 25 -1.523 0.720 10.107 1.00 0.00 N ATOM 392 CA LEU A 25 -1.449 -0.774 10.139 1.00 0.00 C ATOM 393 C LEU A 25 -0.034 -1.204 10.496 1.00 0.00 C ATOM 394 O LEU A 25 0.939 -0.745 9.923 1.00 0.00 O ATOM 395 CB LEU A 25 -1.826 -1.324 8.764 1.00 0.00 C ATOM 396 CG LEU A 25 -3.218 -0.808 8.382 1.00 0.00 C ATOM 397 CD1 LEU A 25 -3.572 -1.286 6.971 1.00 0.00 C ATOM 398 CD2 LEU A 25 -4.266 -1.328 9.382 1.00 0.00 C ATOM 0 H LEU A 25 -0.888 1.165 9.444 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.140 -1.162 10.887 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.092 -1.013 8.020 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.820 -2.414 8.780 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.214 0.282 8.407 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.562 -0.919 6.700 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.837 -0.904 6.262 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.570 -2.376 6.945 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.252 -0.956 9.102 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.272 -2.418 9.369 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.017 -0.979 10.384 1.00 0.00 H new ATOM 410 N GLU A 26 0.087 -2.085 11.447 1.00 0.00 N ATOM 411 CA GLU A 26 1.430 -2.569 11.872 1.00 0.00 C ATOM 412 C GLU A 26 1.731 -3.901 11.193 1.00 0.00 C ATOM 413 O GLU A 26 1.083 -4.908 11.446 1.00 0.00 O ATOM 414 CB GLU A 26 1.447 -2.732 13.395 1.00 0.00 C ATOM 415 CG GLU A 26 2.709 -3.502 13.833 1.00 0.00 C ATOM 416 CD GLU A 26 3.064 -3.142 15.277 1.00 0.00 C ATOM 417 OE1 GLU A 26 3.261 -1.967 15.538 1.00 0.00 O ATOM 418 OE2 GLU A 26 3.139 -4.045 16.092 1.00 0.00 O ATOM 0 H GLU A 26 -0.696 -2.496 11.955 1.00 0.00 H new ATOM 0 HA GLU A 26 2.194 -1.848 11.581 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.425 -1.753 13.873 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.555 -3.266 13.721 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.539 -4.575 13.748 1.00 0.00 H new ATOM 0 HG3 GLU A 26 3.542 -3.258 13.173 1.00 0.00 H new ATOM 425 N THR A 27 2.712 -3.905 10.327 1.00 0.00 N ATOM 426 CA THR A 27 3.099 -5.148 9.594 1.00 0.00 C ATOM 427 C THR A 27 4.589 -5.446 9.811 1.00 0.00 C ATOM 428 O THR A 27 5.379 -4.578 10.133 1.00 0.00 O ATOM 429 CB THR A 27 2.821 -4.963 8.099 1.00 0.00 C ATOM 430 OG1 THR A 27 3.116 -6.173 7.413 1.00 0.00 O ATOM 431 CG2 THR A 27 3.692 -3.834 7.544 1.00 0.00 C ATOM 0 H THR A 27 3.271 -3.084 10.093 1.00 0.00 H new ATOM 0 HA THR A 27 2.514 -5.985 9.974 1.00 0.00 H new ATOM 0 HB THR A 27 1.771 -4.707 7.956 1.00 0.00 H new ATOM 0 HG1 THR A 27 3.405 -5.969 6.499 1.00 0.00 H new ATOM 0 HG21 THR A 27 3.490 -3.708 6.480 1.00 0.00 H new ATOM 0 HG22 THR A 27 3.464 -2.907 8.070 1.00 0.00 H new ATOM 0 HG23 THR A 27 4.744 -4.082 7.686 1.00 0.00 H new ATOM 439 N ILE A 28 4.958 -6.684 9.630 1.00 0.00 N ATOM 440 CA ILE A 28 6.379 -7.125 9.809 1.00 0.00 C ATOM 441 C ILE A 28 7.039 -6.410 10.996 1.00 0.00 C ATOM 442 O ILE A 28 7.064 -6.918 12.102 1.00 0.00 O ATOM 443 CB ILE A 28 7.181 -6.845 8.527 1.00 0.00 C ATOM 444 CG1 ILE A 28 6.381 -7.308 7.304 1.00 0.00 C ATOM 445 CG2 ILE A 28 8.515 -7.600 8.584 1.00 0.00 C ATOM 446 CD1 ILE A 28 5.888 -8.745 7.499 1.00 0.00 C ATOM 0 H ILE A 28 4.319 -7.431 9.358 1.00 0.00 H new ATOM 0 HA ILE A 28 6.375 -8.196 10.013 1.00 0.00 H new ATOM 0 HB ILE A 28 7.371 -5.775 8.447 1.00 0.00 H new ATOM 0 HG12 ILE A 28 5.531 -6.644 7.145 1.00 0.00 H new ATOM 0 HG13 ILE A 28 7.003 -7.249 6.411 1.00 0.00 H new ATOM 0 HG21 ILE A 28 9.084 -7.402 7.676 1.00 0.00 H new ATOM 0 HG22 ILE A 28 9.086 -7.265 9.450 1.00 0.00 H new ATOM 0 HG23 ILE A 28 8.324 -8.670 8.667 1.00 0.00 H new ATOM 0 HD11 ILE A 28 5.322 -9.058 6.622 1.00 0.00 H new ATOM 0 HD12 ILE A 28 6.743 -9.408 7.635 1.00 0.00 H new ATOM 0 HD13 ILE A 28 5.248 -8.794 8.380 1.00 0.00 H new ATOM 458 N GLN A 29 7.579 -5.245 10.782 1.00 0.00 N ATOM 459 CA GLN A 29 8.243 -4.497 11.886 1.00 0.00 C ATOM 460 C GLN A 29 7.950 -3.005 11.719 1.00 0.00 C ATOM 461 O GLN A 29 8.118 -2.216 12.629 1.00 0.00 O ATOM 462 CB GLN A 29 9.756 -4.734 11.831 1.00 0.00 C ATOM 463 CG GLN A 29 10.262 -4.656 10.386 1.00 0.00 C ATOM 464 CD GLN A 29 10.210 -3.213 9.882 1.00 0.00 C ATOM 465 OE1 GLN A 29 10.418 -2.283 10.635 1.00 0.00 O ATOM 466 NE2 GLN A 29 9.946 -2.990 8.622 1.00 0.00 N ATOM 0 H GLN A 29 7.589 -4.772 9.878 1.00 0.00 H new ATOM 0 HA GLN A 29 7.863 -4.843 12.847 1.00 0.00 H new ATOM 0 HB2 GLN A 29 10.268 -3.991 12.442 1.00 0.00 H new ATOM 0 HB3 GLN A 29 9.992 -5.711 12.253 1.00 0.00 H new ATOM 0 HG2 GLN A 29 11.284 -5.031 10.331 1.00 0.00 H new ATOM 0 HG3 GLN A 29 9.653 -5.294 9.745 1.00 0.00 H new ATOM 0 HE21 GLN A 29 9.772 -3.772 7.991 1.00 0.00 H new ATOM 0 HE22 GLN A 29 9.914 -2.034 8.269 1.00 0.00 H new ATOM 475 N GLY A 30 7.518 -2.610 10.547 1.00 0.00 N ATOM 476 CA GLY A 30 7.218 -1.169 10.291 1.00 0.00 C ATOM 477 C GLY A 30 5.712 -0.916 10.337 1.00 0.00 C ATOM 478 O GLY A 30 4.915 -1.825 10.475 1.00 0.00 O ATOM 0 H GLY A 30 7.360 -3.229 9.752 1.00 0.00 H new ATOM 0 HA2 GLY A 30 7.719 -0.550 11.035 1.00 0.00 H new ATOM 0 HA3 GLY A 30 7.611 -0.878 9.317 1.00 0.00 H new ATOM 482 N VAL A 31 5.325 0.328 10.223 1.00 0.00 N ATOM 483 CA VAL A 31 3.877 0.695 10.255 1.00 0.00 C ATOM 484 C VAL A 31 3.526 1.503 9.009 1.00 0.00 C ATOM 485 O VAL A 31 4.226 2.427 8.634 1.00 0.00 O ATOM 486 CB VAL A 31 3.594 1.534 11.494 1.00 0.00 C ATOM 487 CG1 VAL A 31 2.127 1.967 11.487 1.00 0.00 C ATOM 488 CG2 VAL A 31 3.874 0.697 12.744 1.00 0.00 C ATOM 0 H VAL A 31 5.961 1.117 10.107 1.00 0.00 H new ATOM 0 HA VAL A 31 3.275 -0.213 10.281 1.00 0.00 H new ATOM 0 HB VAL A 31 4.233 2.417 11.495 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.921 2.568 12.373 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.926 2.557 10.593 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.487 1.085 11.490 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.673 1.293 13.634 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.231 -0.183 12.744 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.918 0.384 12.746 1.00 0.00 H new ATOM 498 N LEU A 32 2.443 1.161 8.367 1.00 0.00 N ATOM 499 CA LEU A 32 2.023 1.896 7.136 1.00 0.00 C ATOM 500 C LEU A 32 0.878 2.848 7.476 1.00 0.00 C ATOM 501 O LEU A 32 -0.113 2.463 8.070 1.00 0.00 O ATOM 502 CB LEU A 32 1.557 0.886 6.083 1.00 0.00 C ATOM 503 CG LEU A 32 1.224 1.613 4.770 1.00 0.00 C ATOM 504 CD1 LEU A 32 2.487 2.275 4.188 1.00 0.00 C ATOM 505 CD2 LEU A 32 0.656 0.603 3.765 1.00 0.00 C ATOM 0 H LEU A 32 1.825 0.398 8.643 1.00 0.00 H new ATOM 0 HA LEU A 32 2.863 2.470 6.746 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.336 0.143 5.910 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.679 0.350 6.444 1.00 0.00 H new ATOM 0 HG LEU A 32 0.486 2.390 4.968 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.235 2.786 3.259 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.882 2.997 4.903 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.240 1.512 3.990 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.418 1.113 2.832 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.395 -0.176 3.575 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.249 0.153 4.173 1.00 0.00 H new ATOM 517 N SER A 33 1.014 4.101 7.106 1.00 0.00 N ATOM 518 CA SER A 33 -0.052 5.109 7.404 1.00 0.00 C ATOM 519 C SER A 33 -0.708 5.582 6.106 1.00 0.00 C ATOM 520 O SER A 33 -0.051 6.019 5.175 1.00 0.00 O ATOM 521 CB SER A 33 0.571 6.305 8.121 1.00 0.00 C ATOM 522 OG SER A 33 1.291 5.848 9.256 1.00 0.00 O ATOM 0 H SER A 33 1.824 4.469 6.607 1.00 0.00 H new ATOM 0 HA SER A 33 -0.810 4.649 8.038 1.00 0.00 H new ATOM 0 HB2 SER A 33 1.237 6.842 7.446 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.206 7.006 8.427 1.00 0.00 H new ATOM 0 HG SER A 33 1.694 6.613 9.718 1.00 0.00 H new ATOM 528 N ILE A 34 -2.012 5.495 6.051 1.00 0.00 N ATOM 529 CA ILE A 34 -2.769 5.929 4.838 1.00 0.00 C ATOM 530 C ILE A 34 -3.530 7.210 5.154 1.00 0.00 C ATOM 531 O ILE A 34 -4.225 7.305 6.155 1.00 0.00 O ATOM 532 CB ILE A 34 -3.757 4.835 4.441 1.00 0.00 C ATOM 533 CG1 ILE A 34 -2.985 3.558 4.106 1.00 0.00 C ATOM 534 CG2 ILE A 34 -4.560 5.285 3.219 1.00 0.00 C ATOM 535 CD1 ILE A 34 -3.962 2.396 3.919 1.00 0.00 C ATOM 0 H ILE A 34 -2.594 5.136 6.808 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.076 6.109 4.016 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.441 4.643 5.268 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.400 3.703 3.198 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.280 3.328 4.905 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.264 4.502 2.938 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -5.107 6.197 3.459 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.881 5.477 2.388 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.407 1.489 3.681 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.527 2.244 4.839 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.649 2.626 3.104 1.00 0.00 H new ATOM 547 N LYS A 35 -3.398 8.203 4.307 1.00 0.00 N ATOM 548 CA LYS A 35 -4.099 9.505 4.531 1.00 0.00 C ATOM 549 C LYS A 35 -4.940 9.847 3.304 1.00 0.00 C ATOM 550 O LYS A 35 -4.534 9.636 2.171 1.00 0.00 O ATOM 551 CB LYS A 35 -3.061 10.608 4.750 1.00 0.00 C ATOM 552 CG LYS A 35 -2.306 10.348 6.054 1.00 0.00 C ATOM 553 CD LYS A 35 -1.268 11.451 6.274 1.00 0.00 C ATOM 554 CE LYS A 35 -0.507 11.188 7.576 1.00 0.00 C ATOM 555 NZ LYS A 35 0.515 12.255 7.782 1.00 0.00 N ATOM 0 H LYS A 35 -2.828 8.165 3.462 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.743 9.425 5.407 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.363 10.636 3.913 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.551 11.581 4.789 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.004 10.319 6.891 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.815 9.375 6.014 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.573 11.483 5.435 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.759 12.423 6.318 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.201 11.167 8.417 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -0.025 10.211 7.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.054 12.057 8.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 1.163 12.277 6.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.041 13.177 7.872 1.00 0.00 H new ATOM 569 N GLY A 36 -6.109 10.375 3.524 1.00 0.00 N ATOM 570 CA GLY A 36 -6.998 10.738 2.389 1.00 0.00 C ATOM 571 C GLY A 36 -8.384 11.100 2.919 1.00 0.00 C ATOM 572 O GLY A 36 -8.528 11.664 3.989 1.00 0.00 O ATOM 0 H GLY A 36 -6.490 10.572 4.449 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -6.577 11.579 1.839 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -7.071 9.905 1.690 1.00 0.00 H new ATOM 576 N GLU A 37 -9.409 10.783 2.171 1.00 0.00 N ATOM 577 CA GLU A 37 -10.806 11.101 2.605 1.00 0.00 C ATOM 578 C GLU A 37 -11.701 9.879 2.372 1.00 0.00 C ATOM 579 O GLU A 37 -11.539 9.145 1.413 1.00 0.00 O ATOM 580 CB GLU A 37 -11.337 12.277 1.787 1.00 0.00 C ATOM 581 CG GLU A 37 -10.447 13.505 1.996 1.00 0.00 C ATOM 582 CD GLU A 37 -10.496 13.941 3.461 1.00 0.00 C ATOM 583 OE1 GLU A 37 -11.502 13.689 4.102 1.00 0.00 O ATOM 584 OE2 GLU A 37 -9.526 14.527 3.916 1.00 0.00 O ATOM 0 H GLU A 37 -9.339 10.313 1.269 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.808 11.361 3.664 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.364 12.013 0.730 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -12.361 12.505 2.084 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.421 13.274 1.711 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -10.781 14.320 1.354 1.00 0.00 H new ATOM 591 N LYS A 38 -12.646 9.665 3.246 1.00 0.00 N ATOM 592 CA LYS A 38 -13.568 8.500 3.110 1.00 0.00 C ATOM 593 C LYS A 38 -12.753 7.203 3.023 1.00 0.00 C ATOM 594 O LYS A 38 -12.804 6.478 2.049 1.00 0.00 O ATOM 595 CB LYS A 38 -14.445 8.663 1.863 1.00 0.00 C ATOM 596 CG LYS A 38 -15.365 9.873 2.052 1.00 0.00 C ATOM 597 CD LYS A 38 -16.260 10.043 0.821 1.00 0.00 C ATOM 598 CE LYS A 38 -17.205 11.235 1.023 1.00 0.00 C ATOM 599 NZ LYS A 38 -16.476 12.502 0.732 1.00 0.00 N ATOM 0 H LYS A 38 -12.821 10.255 4.059 1.00 0.00 H new ATOM 0 HA LYS A 38 -14.216 8.453 3.985 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -13.821 8.799 0.980 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -15.037 7.762 1.699 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -15.978 9.739 2.943 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -14.770 10.773 2.207 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -15.647 10.200 -0.066 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -16.838 9.134 0.652 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -18.070 11.142 0.367 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -17.580 11.246 2.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -17.116 13.310 0.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -15.664 12.591 1.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -16.139 12.490 -0.252 1.00 0.00 H new ATOM 613 N LEU A 39 -11.999 6.909 4.051 1.00 0.00 N ATOM 614 CA LEU A 39 -11.173 5.662 4.065 1.00 0.00 C ATOM 615 C LEU A 39 -11.975 4.538 4.729 1.00 0.00 C ATOM 616 O LEU A 39 -11.709 4.130 5.846 1.00 0.00 O ATOM 617 CB LEU A 39 -9.877 5.927 4.848 1.00 0.00 C ATOM 618 CG LEU A 39 -8.859 6.615 3.932 1.00 0.00 C ATOM 619 CD1 LEU A 39 -9.462 7.907 3.377 1.00 0.00 C ATOM 620 CD2 LEU A 39 -7.593 6.946 4.722 1.00 0.00 C ATOM 0 H LEU A 39 -11.919 7.484 4.889 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.919 5.365 3.047 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -10.085 6.554 5.715 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -9.468 4.989 5.224 1.00 0.00 H new ATOM 0 HG LEU A 39 -8.607 5.945 3.110 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.738 8.396 2.726 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -10.362 7.673 2.808 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.716 8.573 4.201 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.872 7.435 4.066 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.843 7.612 5.547 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.159 6.027 5.116 1.00 0.00 H new ATOM 632 N GLY A 40 -12.977 4.056 4.045 1.00 0.00 N ATOM 633 CA GLY A 40 -13.833 2.972 4.606 1.00 0.00 C ATOM 634 C GLY A 40 -13.173 1.607 4.420 1.00 0.00 C ATOM 635 O GLY A 40 -12.134 1.477 3.795 1.00 0.00 O ATOM 0 H GLY A 40 -13.242 4.371 3.112 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -14.009 3.154 5.666 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -14.806 2.980 4.115 1.00 0.00 H new ATOM 697 N GLN A 50 -7.320 -10.843 6.177 1.00 0.00 N ATOM 698 CA GLN A 50 -6.772 -9.732 5.339 1.00 0.00 C ATOM 699 C GLN A 50 -7.643 -8.491 5.507 1.00 0.00 C ATOM 700 O GLN A 50 -8.799 -8.577 5.879 1.00 0.00 O ATOM 701 CB GLN A 50 -6.753 -10.148 3.866 1.00 0.00 C ATOM 702 CG GLN A 50 -8.171 -10.483 3.396 1.00 0.00 C ATOM 703 CD GLN A 50 -8.124 -10.988 1.952 1.00 0.00 C ATOM 704 OE1 GLN A 50 -8.582 -10.320 1.048 1.00 0.00 O ATOM 705 NE2 GLN A 50 -7.578 -12.145 1.694 1.00 0.00 N ATOM 0 HA GLN A 50 -5.754 -9.511 5.660 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.341 -9.343 3.258 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -6.103 -11.013 3.733 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -8.611 -11.242 4.044 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -8.806 -9.600 3.463 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -7.193 -12.708 2.453 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -7.537 -12.487 0.734 1.00 0.00 H new ATOM 714 N VAL A 51 -7.089 -7.334 5.238 1.00 0.00 N ATOM 715 CA VAL A 51 -7.866 -6.065 5.388 1.00 0.00 C ATOM 716 C VAL A 51 -8.005 -5.381 4.035 1.00 0.00 C ATOM 717 O VAL A 51 -7.238 -5.618 3.117 1.00 0.00 O ATOM 718 CB VAL A 51 -7.126 -5.124 6.342 1.00 0.00 C ATOM 719 CG1 VAL A 51 -7.055 -5.765 7.725 1.00 0.00 C ATOM 720 CG2 VAL A 51 -5.704 -4.867 5.827 1.00 0.00 C ATOM 0 H VAL A 51 -6.127 -7.214 4.920 1.00 0.00 H new ATOM 0 HA VAL A 51 -8.854 -6.299 5.784 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.661 -4.176 6.400 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.529 -5.099 8.408 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -8.064 -5.942 8.096 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.521 -6.713 7.660 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -5.185 -4.197 6.512 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.164 -5.811 5.764 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -5.752 -4.410 4.839 1.00 0.00 H new ATOM 730 N GLU A 52 -8.988 -4.530 3.907 1.00 0.00 N ATOM 731 CA GLU A 52 -9.208 -3.807 2.624 1.00 0.00 C ATOM 732 C GLU A 52 -9.633 -2.378 2.932 1.00 0.00 C ATOM 733 O GLU A 52 -10.393 -2.127 3.852 1.00 0.00 O ATOM 734 CB GLU A 52 -10.303 -4.505 1.814 1.00 0.00 C ATOM 735 CG GLU A 52 -9.896 -5.958 1.578 1.00 0.00 C ATOM 736 CD GLU A 52 -10.772 -6.572 0.485 1.00 0.00 C ATOM 737 OE1 GLU A 52 -11.769 -5.963 0.138 1.00 0.00 O ATOM 738 OE2 GLU A 52 -10.431 -7.648 0.019 1.00 0.00 O ATOM 0 H GLU A 52 -9.654 -4.304 4.646 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.286 -3.804 2.042 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -11.252 -4.462 2.348 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -10.450 -3.996 0.862 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -8.847 -6.008 1.287 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.998 -6.528 2.501 1.00 0.00 H new ATOM 745 N VAL A 53 -9.140 -1.437 2.178 1.00 0.00 N ATOM 746 CA VAL A 53 -9.485 -0.004 2.413 1.00 0.00 C ATOM 747 C VAL A 53 -10.025 0.606 1.123 1.00 0.00 C ATOM 748 O VAL A 53 -9.477 0.416 0.051 1.00 0.00 O ATOM 749 CB VAL A 53 -8.235 0.750 2.853 1.00 0.00 C ATOM 750 CG1 VAL A 53 -8.582 2.220 3.090 1.00 0.00 C ATOM 751 CG2 VAL A 53 -7.711 0.132 4.148 1.00 0.00 C ATOM 0 H VAL A 53 -8.504 -1.600 1.398 1.00 0.00 H new ATOM 0 HA VAL A 53 -10.245 0.068 3.191 1.00 0.00 H new ATOM 0 HB VAL A 53 -7.471 0.682 2.078 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -7.688 2.759 3.405 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -8.963 2.657 2.167 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -9.342 2.294 3.868 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -6.817 0.665 4.470 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.475 0.205 4.922 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -7.466 -0.917 3.978 1.00 0.00 H new ATOM 761 N GLU A 54 -11.096 1.341 1.227 1.00 0.00 N ATOM 762 CA GLU A 54 -11.708 1.988 0.031 1.00 0.00 C ATOM 763 C GLU A 54 -11.651 3.503 0.201 1.00 0.00 C ATOM 764 O GLU A 54 -12.105 4.051 1.190 1.00 0.00 O ATOM 765 CB GLU A 54 -13.167 1.537 -0.100 1.00 0.00 C ATOM 766 CG GLU A 54 -13.824 2.275 -1.268 1.00 0.00 C ATOM 767 CD GLU A 54 -15.197 1.665 -1.560 1.00 0.00 C ATOM 768 OE1 GLU A 54 -15.969 1.509 -0.629 1.00 0.00 O ATOM 769 OE2 GLU A 54 -15.450 1.361 -2.716 1.00 0.00 O ATOM 0 H GLU A 54 -11.582 1.524 2.105 1.00 0.00 H new ATOM 0 HA GLU A 54 -11.161 1.701 -0.867 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -13.213 0.460 -0.264 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -13.707 1.742 0.824 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -13.929 3.333 -1.028 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -13.191 2.210 -2.153 1.00 0.00 H new ATOM 776 N GLY A 55 -11.093 4.185 -0.757 1.00 0.00 N ATOM 777 CA GLY A 55 -11.006 5.667 -0.655 1.00 0.00 C ATOM 778 C GLY A 55 -9.920 6.197 -1.592 1.00 0.00 C ATOM 779 O GLY A 55 -9.200 5.447 -2.228 1.00 0.00 O ATOM 0 H GLY A 55 -10.694 3.782 -1.605 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -11.967 6.114 -0.911 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -10.783 5.956 0.372 1.00 0.00 H new ATOM 783 N LEU A 56 -9.810 7.493 -1.684 1.00 0.00 N ATOM 784 CA LEU A 56 -8.794 8.119 -2.579 1.00 0.00 C ATOM 785 C LEU A 56 -7.495 8.366 -1.808 1.00 0.00 C ATOM 786 O LEU A 56 -7.491 8.959 -0.744 1.00 0.00 O ATOM 787 CB LEU A 56 -9.341 9.454 -3.103 1.00 0.00 C ATOM 788 CG LEU A 56 -10.069 10.222 -1.964 1.00 0.00 C ATOM 789 CD1 LEU A 56 -9.889 11.734 -2.154 1.00 0.00 C ATOM 790 CD2 LEU A 56 -11.573 9.893 -1.976 1.00 0.00 C ATOM 0 H LEU A 56 -10.390 8.156 -1.169 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.587 7.449 -3.414 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.525 10.060 -3.496 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -10.030 9.274 -3.928 1.00 0.00 H new ATOM 0 HG LEU A 56 -9.638 9.916 -1.011 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -10.402 12.265 -1.352 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -8.827 11.980 -2.131 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -10.310 12.033 -3.114 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -12.071 10.437 -1.174 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -12.002 10.186 -2.934 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -11.712 8.822 -1.829 1.00 0.00 H new ATOM 802 N ILE A 57 -6.393 7.923 -2.343 1.00 0.00 N ATOM 803 CA ILE A 57 -5.092 8.136 -1.656 1.00 0.00 C ATOM 804 C ILE A 57 -4.625 9.572 -1.901 1.00 0.00 C ATOM 805 O ILE A 57 -4.521 10.026 -3.027 1.00 0.00 O ATOM 806 CB ILE A 57 -4.058 7.130 -2.205 1.00 0.00 C ATOM 807 CG1 ILE A 57 -4.254 5.768 -1.525 1.00 0.00 C ATOM 808 CG2 ILE A 57 -2.632 7.624 -1.926 1.00 0.00 C ATOM 809 CD1 ILE A 57 -5.723 5.350 -1.603 1.00 0.00 C ATOM 0 H ILE A 57 -6.338 7.421 -3.229 1.00 0.00 H new ATOM 0 HA ILE A 57 -5.202 7.978 -0.583 1.00 0.00 H new ATOM 0 HB ILE A 57 -4.202 7.035 -3.281 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -3.628 5.018 -2.008 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -3.938 5.824 -0.483 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -1.914 6.904 -2.319 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -2.480 8.589 -2.410 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.488 7.730 -0.851 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -5.852 4.382 -1.118 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -6.340 6.094 -1.099 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -6.025 5.275 -2.648 1.00 0.00 H new ATOM 821 N ASP A 58 -4.342 10.280 -0.845 1.00 0.00 N ATOM 822 CA ASP A 58 -3.871 11.689 -0.962 1.00 0.00 C ATOM 823 C ASP A 58 -2.412 11.761 -0.509 1.00 0.00 C ATOM 824 O ASP A 58 -1.643 12.582 -0.969 1.00 0.00 O ATOM 825 CB ASP A 58 -4.734 12.567 -0.059 1.00 0.00 C ATOM 826 CG ASP A 58 -4.537 14.037 -0.425 1.00 0.00 C ATOM 827 OD1 ASP A 58 -3.546 14.604 0.001 1.00 0.00 O ATOM 828 OD2 ASP A 58 -5.381 14.567 -1.126 1.00 0.00 O ATOM 0 H ASP A 58 -4.418 9.936 0.112 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.949 12.034 -1.993 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.784 12.294 -0.166 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.467 12.404 0.985 1.00 0.00 H new ATOM 833 N ALA A 59 -2.020 10.904 0.398 1.00 0.00 N ATOM 834 CA ALA A 59 -0.603 10.939 0.871 1.00 0.00 C ATOM 835 C ALA A 59 -0.261 9.671 1.660 1.00 0.00 C ATOM 836 O ALA A 59 -1.035 9.200 2.475 1.00 0.00 O ATOM 837 CB ALA A 59 -0.385 12.162 1.763 1.00 0.00 C ATOM 0 H ALA A 59 -2.610 10.191 0.827 1.00 0.00 H new ATOM 0 HA ALA A 59 0.047 10.996 -0.002 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.650 12.183 2.105 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.598 13.068 1.196 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -1.051 12.108 2.624 1.00 0.00 H new ATOM 843 N LEU A 60 0.906 9.130 1.422 1.00 0.00 N ATOM 844 CA LEU A 60 1.358 7.895 2.139 1.00 0.00 C ATOM 845 C LEU A 60 2.593 8.223 2.959 1.00 0.00 C ATOM 846 O LEU A 60 3.500 8.894 2.496 1.00 0.00 O ATOM 847 CB LEU A 60 1.690 6.787 1.115 1.00 0.00 C ATOM 848 CG LEU A 60 0.473 5.877 0.868 1.00 0.00 C ATOM 849 CD1 LEU A 60 0.263 4.934 2.066 1.00 0.00 C ATOM 850 CD2 LEU A 60 -0.788 6.728 0.643 1.00 0.00 C ATOM 0 H LEU A 60 1.578 9.498 0.749 1.00 0.00 H new ATOM 0 HA LEU A 60 0.564 7.542 2.797 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.006 7.239 0.175 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.526 6.190 1.479 1.00 0.00 H new ATOM 0 HG LEU A 60 0.660 5.279 -0.024 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.601 4.296 1.879 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.150 4.315 2.201 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.091 5.523 2.967 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.642 6.074 0.469 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.974 7.342 1.524 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.642 7.372 -0.224 1.00 0.00 H new ATOM 862 N VAL A 61 2.629 7.758 4.179 1.00 0.00 N ATOM 863 CA VAL A 61 3.801 8.033 5.056 1.00 0.00 C ATOM 864 C VAL A 61 4.309 6.729 5.679 1.00 0.00 C ATOM 865 O VAL A 61 3.563 5.961 6.263 1.00 0.00 O ATOM 866 CB VAL A 61 3.387 9.003 6.164 1.00 0.00 C ATOM 867 CG1 VAL A 61 4.495 9.096 7.216 1.00 0.00 C ATOM 868 CG2 VAL A 61 3.148 10.385 5.555 1.00 0.00 C ATOM 0 H VAL A 61 1.893 7.197 4.607 1.00 0.00 H new ATOM 0 HA VAL A 61 4.599 8.475 4.460 1.00 0.00 H new ATOM 0 HB VAL A 61 2.474 8.643 6.638 1.00 0.00 H new ATOM 0 HG11 VAL A 61 4.193 9.788 8.002 1.00 0.00 H new ATOM 0 HG12 VAL A 61 4.670 8.111 7.648 1.00 0.00 H new ATOM 0 HG13 VAL A 61 5.412 9.455 6.748 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.852 11.082 6.339 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.065 10.738 5.082 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.356 10.322 4.809 1.00 0.00 H new ATOM 878 N TYR A 62 5.583 6.500 5.565 1.00 0.00 N ATOM 879 CA TYR A 62 6.207 5.282 6.152 1.00 0.00 C ATOM 880 C TYR A 62 7.613 5.687 6.622 1.00 0.00 C ATOM 881 O TYR A 62 8.286 6.419 5.932 1.00 0.00 O ATOM 882 CB TYR A 62 6.306 4.177 5.091 1.00 0.00 C ATOM 883 CG TYR A 62 6.951 2.950 5.697 1.00 0.00 C ATOM 884 CD1 TYR A 62 8.343 2.819 5.698 1.00 0.00 C ATOM 885 CD2 TYR A 62 6.154 1.941 6.253 1.00 0.00 C ATOM 886 CE1 TYR A 62 8.940 1.685 6.262 1.00 0.00 C ATOM 887 CE2 TYR A 62 6.751 0.807 6.818 1.00 0.00 C ATOM 888 CZ TYR A 62 8.144 0.677 6.817 1.00 0.00 C ATOM 889 OH TYR A 62 8.738 -0.442 7.363 1.00 0.00 O ATOM 0 H TYR A 62 6.234 7.118 5.080 1.00 0.00 H new ATOM 0 HA TYR A 62 5.612 4.898 6.980 1.00 0.00 H new ATOM 0 HB2 TYR A 62 5.313 3.930 4.714 1.00 0.00 H new ATOM 0 HB3 TYR A 62 6.892 4.526 4.241 1.00 0.00 H new ATOM 0 HD1 TYR A 62 8.958 3.593 5.263 1.00 0.00 H new ATOM 0 HD2 TYR A 62 5.078 2.038 6.246 1.00 0.00 H new ATOM 0 HE1 TYR A 62 10.016 1.588 6.269 1.00 0.00 H new ATOM 0 HE2 TYR A 62 6.136 0.033 7.254 1.00 0.00 H new ATOM 0 HH TYR A 62 9.673 -0.490 7.073 1.00 0.00 H new ATOM 899 N PRO A 63 8.059 5.254 7.777 1.00 0.00 N ATOM 900 CA PRO A 63 9.416 5.623 8.286 1.00 0.00 C ATOM 901 C PRO A 63 10.546 4.959 7.485 1.00 0.00 C ATOM 902 O PRO A 63 10.780 3.766 7.579 1.00 0.00 O ATOM 903 CB PRO A 63 9.398 5.136 9.746 1.00 0.00 C ATOM 904 CG PRO A 63 8.378 4.038 9.783 1.00 0.00 C ATOM 905 CD PRO A 63 7.340 4.375 8.712 1.00 0.00 C ATOM 0 HA PRO A 63 9.613 6.691 8.193 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.379 4.772 10.052 1.00 0.00 H new ATOM 0 HB3 PRO A 63 9.131 5.944 10.427 1.00 0.00 H new ATOM 0 HG2 PRO A 63 8.841 3.071 9.584 1.00 0.00 H new ATOM 0 HG3 PRO A 63 7.913 3.973 10.767 1.00 0.00 H new ATOM 0 HD2 PRO A 63 6.976 3.477 8.214 1.00 0.00 H new ATOM 0 HD3 PRO A 63 6.472 4.875 9.142 1.00 0.00 H new ATOM 913 N LEU A 64 11.258 5.732 6.701 1.00 0.00 N ATOM 914 CA LEU A 64 12.384 5.169 5.899 1.00 0.00 C ATOM 915 C LEU A 64 13.658 5.191 6.742 1.00 0.00 C ATOM 916 O LEU A 64 14.687 4.667 6.362 1.00 0.00 O ATOM 917 CB LEU A 64 12.593 5.993 4.607 1.00 0.00 C ATOM 918 CG LEU A 64 12.279 7.496 4.805 1.00 0.00 C ATOM 919 CD1 LEU A 64 10.754 7.743 4.923 1.00 0.00 C ATOM 920 CD2 LEU A 64 13.021 8.039 6.037 1.00 0.00 C ATOM 0 H LEU A 64 11.105 6.734 6.583 1.00 0.00 H new ATOM 0 HA LEU A 64 12.146 4.143 5.618 1.00 0.00 H new ATOM 0 HB2 LEU A 64 13.624 5.882 4.272 1.00 0.00 H new ATOM 0 HB3 LEU A 64 11.956 5.593 3.818 1.00 0.00 H new ATOM 0 HG LEU A 64 12.630 8.034 3.924 1.00 0.00 H new ATOM 0 HD11 LEU A 64 10.568 8.808 5.061 1.00 0.00 H new ATOM 0 HD12 LEU A 64 10.259 7.403 4.013 1.00 0.00 H new ATOM 0 HD13 LEU A 64 10.361 7.192 5.778 1.00 0.00 H new ATOM 0 HD21 LEU A 64 12.791 9.097 6.164 1.00 0.00 H new ATOM 0 HD22 LEU A 64 12.704 7.490 6.924 1.00 0.00 H new ATOM 0 HD23 LEU A 64 14.095 7.916 5.898 1.00 0.00 H new ATOM 1082 N ASN B 3 6.375 -13.406 6.744 1.00 0.00 N ATOM 1083 CA ASN B 3 6.339 -11.943 6.416 1.00 0.00 C ATOM 1084 C ASN B 3 5.758 -11.720 5.014 1.00 0.00 C ATOM 1085 O ASN B 3 5.255 -10.660 4.695 1.00 0.00 O ATOM 1086 CB ASN B 3 7.768 -11.395 6.439 1.00 0.00 C ATOM 1087 CG ASN B 3 8.599 -12.072 5.346 1.00 0.00 C ATOM 1088 OD1 ASN B 3 8.159 -13.017 4.724 1.00 0.00 O ATOM 1089 ND2 ASN B 3 9.793 -11.618 5.088 1.00 0.00 N ATOM 0 HA ASN B 3 5.715 -11.434 7.150 1.00 0.00 H new ATOM 0 HB2 ASN B 3 7.756 -10.316 6.284 1.00 0.00 H new ATOM 0 HB3 ASN B 3 8.220 -11.572 7.415 1.00 0.00 H new ATOM 0 HD21 ASN B 3 10.360 -12.057 4.362 1.00 0.00 H new ATOM 0 HD22 ASN B 3 10.161 -10.824 5.612 1.00 0.00 H new ATOM 1096 N ARG B 4 5.841 -12.707 4.171 1.00 0.00 N ATOM 1097 CA ARG B 4 5.329 -12.554 2.777 1.00 0.00 C ATOM 1098 C ARG B 4 3.904 -12.004 2.783 1.00 0.00 C ATOM 1099 O ARG B 4 3.057 -12.411 3.561 1.00 0.00 O ATOM 1100 CB ARG B 4 5.339 -13.912 2.068 1.00 0.00 C ATOM 1101 CG ARG B 4 6.742 -14.529 2.112 1.00 0.00 C ATOM 1102 CD ARG B 4 7.656 -13.854 1.081 1.00 0.00 C ATOM 1103 NE ARG B 4 7.043 -13.966 -0.274 1.00 0.00 N ATOM 1104 CZ ARG B 4 6.994 -15.120 -0.888 1.00 0.00 C ATOM 1105 NH1 ARG B 4 7.494 -16.188 -0.324 1.00 0.00 N ATOM 1106 NH2 ARG B 4 6.442 -15.206 -2.063 1.00 0.00 N ATOM 0 H ARG B 4 6.243 -13.620 4.385 1.00 0.00 H new ATOM 0 HA ARG B 4 5.978 -11.855 2.249 1.00 0.00 H new ATOM 0 HB2 ARG B 4 4.625 -14.583 2.545 1.00 0.00 H new ATOM 0 HB3 ARG B 4 5.021 -13.791 1.033 1.00 0.00 H new ATOM 0 HG2 ARG B 4 7.164 -14.417 3.111 1.00 0.00 H new ATOM 0 HG3 ARG B 4 6.682 -15.598 1.910 1.00 0.00 H new ATOM 0 HD2 ARG B 4 7.803 -12.805 1.340 1.00 0.00 H new ATOM 0 HD3 ARG B 4 8.639 -14.324 1.087 1.00 0.00 H new ATOM 0 HE ARG B 4 6.659 -13.136 -0.726 1.00 0.00 H new ATOM 0 HH11 ARG B 4 7.924 -16.124 0.598 1.00 0.00 H new ATOM 0 HH12 ARG B 4 7.454 -17.086 -0.806 1.00 0.00 H new ATOM 0 HH21 ARG B 4 6.049 -14.375 -2.504 1.00 0.00 H new ATOM 0 HH22 ARG B 4 6.403 -16.105 -2.543 1.00 0.00 H new ATOM 1120 N GLN B 5 3.633 -11.071 1.912 1.00 0.00 N ATOM 1121 CA GLN B 5 2.272 -10.476 1.847 1.00 0.00 C ATOM 1122 C GLN B 5 1.941 -10.116 0.403 1.00 0.00 C ATOM 1123 O GLN B 5 2.822 -9.905 -0.421 1.00 0.00 O ATOM 1124 CB GLN B 5 2.216 -9.224 2.725 1.00 0.00 C ATOM 1125 CG GLN B 5 3.372 -8.282 2.372 1.00 0.00 C ATOM 1126 CD GLN B 5 3.409 -7.126 3.373 1.00 0.00 C ATOM 1127 OE1 GLN B 5 4.401 -6.433 3.487 1.00 0.00 O ATOM 1128 NE2 GLN B 5 2.361 -6.888 4.116 1.00 0.00 N ATOM 0 H GLN B 5 4.301 -10.694 1.240 1.00 0.00 H new ATOM 0 HA GLN B 5 1.541 -11.198 2.211 1.00 0.00 H new ATOM 0 HB2 GLN B 5 1.264 -8.713 2.583 1.00 0.00 H new ATOM 0 HB3 GLN B 5 2.273 -9.505 3.777 1.00 0.00 H new ATOM 0 HG2 GLN B 5 4.317 -8.825 2.392 1.00 0.00 H new ATOM 0 HG3 GLN B 5 3.246 -7.897 1.360 1.00 0.00 H new ATOM 0 HE21 GLN B 5 1.527 -7.468 4.022 1.00 0.00 H new ATOM 0 HE22 GLN B 5 2.377 -6.122 4.790 1.00 0.00 H new ATOM 1137 N PHE B 6 0.675 -10.050 0.091 1.00 0.00 N ATOM 1138 CA PHE B 6 0.240 -9.708 -1.296 1.00 0.00 C ATOM 1139 C PHE B 6 -0.494 -8.381 -1.253 1.00 0.00 C ATOM 1140 O PHE B 6 -1.473 -8.221 -0.544 1.00 0.00 O ATOM 1141 CB PHE B 6 -0.693 -10.801 -1.810 1.00 0.00 C ATOM 1142 CG PHE B 6 -0.038 -12.141 -1.582 1.00 0.00 C ATOM 1143 CD1 PHE B 6 -0.158 -12.772 -0.337 1.00 0.00 C ATOM 1144 CD2 PHE B 6 0.674 -12.761 -2.615 1.00 0.00 C ATOM 1145 CE1 PHE B 6 0.450 -14.012 -0.118 1.00 0.00 C ATOM 1146 CE2 PHE B 6 1.283 -14.005 -2.398 1.00 0.00 C ATOM 1147 CZ PHE B 6 1.163 -14.635 -1.153 1.00 0.00 C ATOM 0 H PHE B 6 -0.087 -10.221 0.747 1.00 0.00 H new ATOM 0 HA PHE B 6 1.101 -9.633 -1.960 1.00 0.00 H new ATOM 0 HB2 PHE B 6 -1.651 -10.755 -1.292 1.00 0.00 H new ATOM 0 HB3 PHE B 6 -0.897 -10.656 -2.871 1.00 0.00 H new ATOM 0 HD1 PHE B 6 -0.721 -12.300 0.455 1.00 0.00 H new ATOM 0 HD2 PHE B 6 0.754 -12.281 -3.579 1.00 0.00 H new ATOM 0 HE1 PHE B 6 0.371 -14.490 0.847 1.00 0.00 H new ATOM 0 HE2 PHE B 6 1.844 -14.477 -3.191 1.00 0.00 H new ATOM 0 HZ PHE B 6 1.619 -15.600 -0.990 1.00 0.00 H new ATOM 1157 N LEU B 7 -0.018 -7.416 -1.987 1.00 0.00 N ATOM 1158 CA LEU B 7 -0.663 -6.073 -1.981 1.00 0.00 C ATOM 1159 C LEU B 7 -1.164 -5.755 -3.385 1.00 0.00 C ATOM 1160 O LEU B 7 -0.416 -5.769 -4.349 1.00 0.00 O ATOM 1161 CB LEU B 7 0.361 -5.028 -1.539 1.00 0.00 C ATOM 1162 CG LEU B 7 -0.363 -3.718 -1.187 1.00 0.00 C ATOM 1163 CD1 LEU B 7 0.578 -2.801 -0.401 1.00 0.00 C ATOM 1164 CD2 LEU B 7 -0.871 -3.012 -2.467 1.00 0.00 C ATOM 0 H LEU B 7 0.796 -7.500 -2.596 1.00 0.00 H new ATOM 0 HA LEU B 7 -1.505 -6.063 -1.289 1.00 0.00 H new ATOM 0 HB2 LEU B 7 0.918 -5.392 -0.675 1.00 0.00 H new ATOM 0 HB3 LEU B 7 1.085 -4.853 -2.335 1.00 0.00 H new ATOM 0 HG LEU B 7 -1.229 -3.950 -0.567 1.00 0.00 H new ATOM 0 HD11 LEU B 7 0.060 -1.874 -0.154 1.00 0.00 H new ATOM 0 HD12 LEU B 7 0.888 -3.299 0.517 1.00 0.00 H new ATOM 0 HD13 LEU B 7 1.456 -2.576 -1.006 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -1.380 -2.087 -2.195 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -0.026 -2.783 -3.116 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -1.565 -3.667 -2.993 1.00 0.00 H new ATOM 1176 N SER B 8 -2.436 -5.492 -3.501 1.00 0.00 N ATOM 1177 CA SER B 8 -3.044 -5.188 -4.829 1.00 0.00 C ATOM 1178 C SER B 8 -3.638 -3.788 -4.816 1.00 0.00 C ATOM 1179 O SER B 8 -4.320 -3.393 -3.884 1.00 0.00 O ATOM 1180 CB SER B 8 -4.151 -6.195 -5.113 1.00 0.00 C ATOM 1181 OG SER B 8 -4.823 -5.828 -6.311 1.00 0.00 O ATOM 0 H SER B 8 -3.091 -5.474 -2.719 1.00 0.00 H new ATOM 0 HA SER B 8 -2.276 -5.248 -5.600 1.00 0.00 H new ATOM 0 HB2 SER B 8 -3.732 -7.196 -5.210 1.00 0.00 H new ATOM 0 HB3 SER B 8 -4.855 -6.223 -4.281 1.00 0.00 H new ATOM 0 HG SER B 8 -5.535 -6.475 -6.498 1.00 0.00 H new ATOM 1187 N LEU B 9 -3.382 -3.040 -5.850 1.00 0.00 N ATOM 1188 CA LEU B 9 -3.919 -1.653 -5.945 1.00 0.00 C ATOM 1189 C LEU B 9 -4.555 -1.458 -7.317 1.00 0.00 C ATOM 1190 O LEU B 9 -4.094 -1.994 -8.309 1.00 0.00 O ATOM 1191 CB LEU B 9 -2.785 -0.642 -5.761 1.00 0.00 C ATOM 1192 CG LEU B 9 -3.361 0.785 -5.754 1.00 0.00 C ATOM 1193 CD1 LEU B 9 -4.294 0.980 -4.543 1.00 0.00 C ATOM 1194 CD2 LEU B 9 -2.210 1.791 -5.693 1.00 0.00 C ATOM 0 H LEU B 9 -2.815 -3.334 -6.646 1.00 0.00 H new ATOM 0 HA LEU B 9 -4.665 -1.498 -5.165 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -2.259 -0.837 -4.827 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -2.057 -0.747 -6.565 1.00 0.00 H new ATOM 0 HG LEU B 9 -3.939 0.944 -6.664 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -4.694 1.994 -4.551 1.00 0.00 H new ATOM 0 HD12 LEU B 9 -5.115 0.266 -4.598 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -3.734 0.819 -3.622 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -2.612 2.804 -5.688 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -1.630 1.626 -4.785 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -1.566 1.661 -6.563 1.00 0.00 H new ATOM 1206 N THR B 10 -5.617 -0.696 -7.377 1.00 0.00 N ATOM 1207 CA THR B 10 -6.318 -0.451 -8.677 1.00 0.00 C ATOM 1208 C THR B 10 -6.499 1.053 -8.907 1.00 0.00 C ATOM 1209 O THR B 10 -6.372 1.859 -8.002 1.00 0.00 O ATOM 1210 CB THR B 10 -7.698 -1.116 -8.646 1.00 0.00 C ATOM 1211 OG1 THR B 10 -8.620 -0.250 -7.999 1.00 0.00 O ATOM 1212 CG2 THR B 10 -7.619 -2.441 -7.886 1.00 0.00 C ATOM 0 H THR B 10 -6.034 -0.227 -6.573 1.00 0.00 H new ATOM 0 HA THR B 10 -5.717 -0.870 -9.484 1.00 0.00 H new ATOM 0 HB THR B 10 -8.030 -1.310 -9.666 1.00 0.00 H new ATOM 0 HG1 THR B 10 -9.505 -0.671 -7.978 1.00 0.00 H new ATOM 0 HG21 THR B 10 -8.603 -2.909 -7.867 1.00 0.00 H new ATOM 0 HG22 THR B 10 -6.911 -3.104 -8.383 1.00 0.00 H new ATOM 0 HG23 THR B 10 -7.286 -2.255 -6.865 1.00 0.00 H new ATOM 1220 N GLY B 11 -6.795 1.423 -10.123 1.00 0.00 N ATOM 1221 CA GLY B 11 -6.994 2.865 -10.463 1.00 0.00 C ATOM 1222 C GLY B 11 -5.640 3.531 -10.725 1.00 0.00 C ATOM 1223 O GLY B 11 -5.502 4.740 -10.663 1.00 0.00 O ATOM 0 H GLY B 11 -6.909 0.781 -10.907 1.00 0.00 H new ATOM 0 HA2 GLY B 11 -7.630 2.955 -11.344 1.00 0.00 H new ATOM 0 HA3 GLY B 11 -7.507 3.373 -9.646 1.00 0.00 H new ATOM 1227 N VAL B 12 -4.638 2.752 -11.016 1.00 0.00 N ATOM 1228 CA VAL B 12 -3.291 3.328 -11.282 1.00 0.00 C ATOM 1229 C VAL B 12 -3.315 4.140 -12.583 1.00 0.00 C ATOM 1230 O VAL B 12 -3.869 3.727 -13.586 1.00 0.00 O ATOM 1231 CB VAL B 12 -2.263 2.192 -11.374 1.00 0.00 C ATOM 1232 CG1 VAL B 12 -2.413 1.439 -12.700 1.00 0.00 C ATOM 1233 CG2 VAL B 12 -0.849 2.768 -11.275 1.00 0.00 C ATOM 0 H VAL B 12 -4.694 1.736 -11.082 1.00 0.00 H new ATOM 0 HA VAL B 12 -3.011 3.996 -10.467 1.00 0.00 H new ATOM 0 HB VAL B 12 -2.437 1.498 -10.552 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -1.676 0.637 -12.748 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -3.415 1.016 -12.767 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -2.254 2.128 -13.530 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -0.121 1.959 -11.341 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -0.685 3.471 -12.091 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -0.732 3.285 -10.322 1.00 0.00 H new ATOM 1243 N SER B 13 -2.719 5.301 -12.564 1.00 0.00 N ATOM 1244 CA SER B 13 -2.692 6.154 -13.783 1.00 0.00 C ATOM 1245 C SER B 13 -1.734 5.544 -14.803 1.00 0.00 C ATOM 1246 O SER B 13 -2.023 5.466 -15.980 1.00 0.00 O ATOM 1247 CB SER B 13 -2.205 7.548 -13.397 1.00 0.00 C ATOM 1248 OG SER B 13 -3.096 8.109 -12.444 1.00 0.00 O ATOM 0 H SER B 13 -2.247 5.696 -11.751 1.00 0.00 H new ATOM 0 HA SER B 13 -3.690 6.218 -14.217 1.00 0.00 H new ATOM 0 HB2 SER B 13 -1.199 7.492 -12.982 1.00 0.00 H new ATOM 0 HB3 SER B 13 -2.151 8.184 -14.280 1.00 0.00 H new ATOM 0 HG SER B 13 -2.785 9.004 -12.193 1.00 0.00 H new ATOM 1254 N LYS B 14 -0.591 5.106 -14.354 1.00 0.00 N ATOM 1255 CA LYS B 14 0.389 4.489 -15.298 1.00 0.00 C ATOM 1256 C LYS B 14 1.592 3.942 -14.530 1.00 0.00 C ATOM 1257 O LYS B 14 1.838 4.300 -13.394 1.00 0.00 O ATOM 1258 CB LYS B 14 0.868 5.532 -16.322 1.00 0.00 C ATOM 1259 CG LYS B 14 1.394 6.803 -15.605 1.00 0.00 C ATOM 1260 CD LYS B 14 2.930 6.780 -15.523 1.00 0.00 C ATOM 1261 CE LYS B 14 3.527 7.286 -16.837 1.00 0.00 C ATOM 1262 NZ LYS B 14 4.964 6.907 -16.903 1.00 0.00 N ATOM 0 H LYS B 14 -0.292 5.147 -13.380 1.00 0.00 H new ATOM 0 HA LYS B 14 -0.105 3.670 -15.821 1.00 0.00 H new ATOM 0 HB2 LYS B 14 1.657 5.105 -16.941 1.00 0.00 H new ATOM 0 HB3 LYS B 14 0.048 5.798 -16.989 1.00 0.00 H new ATOM 0 HG2 LYS B 14 1.066 7.693 -16.143 1.00 0.00 H new ATOM 0 HG3 LYS B 14 0.971 6.863 -14.602 1.00 0.00 H new ATOM 0 HD2 LYS B 14 3.268 7.403 -14.695 1.00 0.00 H new ATOM 0 HD3 LYS B 14 3.277 5.767 -15.322 1.00 0.00 H new ATOM 0 HE2 LYS B 14 2.988 6.860 -17.683 1.00 0.00 H new ATOM 0 HE3 LYS B 14 3.421 8.369 -16.905 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 5.381 7.279 -17.780 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 5.466 7.306 -16.084 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 5.051 5.871 -16.891 1.00 0.00 H new ATOM 1276 N VAL B 15 2.345 3.077 -15.153 1.00 0.00 N ATOM 1277 CA VAL B 15 3.542 2.489 -14.488 1.00 0.00 C ATOM 1278 C VAL B 15 4.773 3.354 -14.763 1.00 0.00 C ATOM 1279 O VAL B 15 5.272 3.418 -15.874 1.00 0.00 O ATOM 1280 CB VAL B 15 3.774 1.079 -15.032 1.00 0.00 C ATOM 1281 CG1 VAL B 15 5.044 0.488 -14.415 1.00 0.00 C ATOM 1282 CG2 VAL B 15 2.575 0.194 -14.669 1.00 0.00 C ATOM 0 H VAL B 15 2.180 2.749 -16.105 1.00 0.00 H new ATOM 0 HA VAL B 15 3.374 2.447 -13.412 1.00 0.00 H new ATOM 0 HB VAL B 15 3.887 1.124 -16.115 1.00 0.00 H new ATOM 0 HG11 VAL B 15 5.205 -0.517 -14.806 1.00 0.00 H new ATOM 0 HG12 VAL B 15 5.898 1.117 -14.668 1.00 0.00 H new ATOM 0 HG13 VAL B 15 4.935 0.443 -13.331 1.00 0.00 H new ATOM 0 HG21 VAL B 15 2.736 -0.813 -15.055 1.00 0.00 H new ATOM 0 HG22 VAL B 15 2.467 0.154 -13.585 1.00 0.00 H new ATOM 0 HG23 VAL B 15 1.669 0.611 -15.109 1.00 0.00 H new ATOM 1292 N GLN B 16 5.275 4.004 -13.754 1.00 0.00 N ATOM 1293 CA GLN B 16 6.485 4.852 -13.936 1.00 0.00 C ATOM 1294 C GLN B 16 7.677 3.948 -14.252 1.00 0.00 C ATOM 1295 O GLN B 16 8.521 4.261 -15.067 1.00 0.00 O ATOM 1296 CB GLN B 16 6.756 5.622 -12.640 1.00 0.00 C ATOM 1297 CG GLN B 16 7.890 6.628 -12.857 1.00 0.00 C ATOM 1298 CD GLN B 16 7.431 7.721 -13.825 1.00 0.00 C ATOM 1299 OE1 GLN B 16 7.488 7.551 -15.026 1.00 0.00 O ATOM 1300 NE2 GLN B 16 6.968 8.843 -13.348 1.00 0.00 N ATOM 0 H GLN B 16 4.899 3.985 -12.806 1.00 0.00 H new ATOM 0 HA GLN B 16 6.331 5.557 -14.753 1.00 0.00 H new ATOM 0 HB2 GLN B 16 5.853 6.142 -12.321 1.00 0.00 H new ATOM 0 HB3 GLN B 16 7.022 4.927 -11.843 1.00 0.00 H new ATOM 0 HG2 GLN B 16 8.183 7.071 -11.905 1.00 0.00 H new ATOM 0 HG3 GLN B 16 8.768 6.120 -13.256 1.00 0.00 H new ATOM 0 HE21 GLN B 16 6.920 8.987 -12.339 1.00 0.00 H new ATOM 0 HE22 GLN B 16 6.654 9.577 -13.984 1.00 0.00 H new ATOM 1309 N SER B 17 7.744 2.816 -13.605 1.00 0.00 N ATOM 1310 CA SER B 17 8.871 1.872 -13.852 1.00 0.00 C ATOM 1311 C SER B 17 8.571 0.530 -13.190 1.00 0.00 C ATOM 1312 O SER B 17 7.675 0.411 -12.373 1.00 0.00 O ATOM 1313 CB SER B 17 10.168 2.430 -13.268 1.00 0.00 C ATOM 1314 OG SER B 17 11.193 1.452 -13.394 1.00 0.00 O ATOM 0 H SER B 17 7.063 2.503 -12.913 1.00 0.00 H new ATOM 0 HA SER B 17 8.985 1.741 -14.928 1.00 0.00 H new ATOM 0 HB2 SER B 17 10.453 3.343 -13.790 1.00 0.00 H new ATOM 0 HB3 SER B 17 10.026 2.693 -12.220 1.00 0.00 H new ATOM 0 HG SER B 17 12.029 1.804 -13.023 1.00 0.00 H new ATOM 1320 N PHE B 18 9.315 -0.483 -13.533 1.00 0.00 N ATOM 1321 CA PHE B 18 9.090 -1.826 -12.931 1.00 0.00 C ATOM 1322 C PHE B 18 10.430 -2.545 -12.771 1.00 0.00 C ATOM 1323 O PHE B 18 11.005 -3.046 -13.722 1.00 0.00 O ATOM 1324 CB PHE B 18 8.155 -2.639 -13.842 1.00 0.00 C ATOM 1325 CG PHE B 18 8.261 -4.120 -13.525 1.00 0.00 C ATOM 1326 CD1 PHE B 18 8.107 -4.569 -12.209 1.00 0.00 C ATOM 1327 CD2 PHE B 18 8.539 -5.040 -14.546 1.00 0.00 C ATOM 1328 CE1 PHE B 18 8.213 -5.931 -11.914 1.00 0.00 C ATOM 1329 CE2 PHE B 18 8.648 -6.403 -14.250 1.00 0.00 C ATOM 1330 CZ PHE B 18 8.492 -6.848 -12.932 1.00 0.00 C ATOM 0 H PHE B 18 10.076 -0.438 -14.211 1.00 0.00 H new ATOM 0 HA PHE B 18 8.628 -1.719 -11.949 1.00 0.00 H new ATOM 0 HB2 PHE B 18 7.126 -2.305 -13.708 1.00 0.00 H new ATOM 0 HB3 PHE B 18 8.413 -2.465 -14.887 1.00 0.00 H new ATOM 0 HD1 PHE B 18 7.906 -3.861 -11.419 1.00 0.00 H new ATOM 0 HD2 PHE B 18 8.669 -4.696 -15.562 1.00 0.00 H new ATOM 0 HE1 PHE B 18 8.079 -6.275 -10.899 1.00 0.00 H new ATOM 0 HE2 PHE B 18 8.853 -7.112 -15.039 1.00 0.00 H new ATOM 0 HZ PHE B 18 8.587 -7.899 -12.702 1.00 0.00 H new ATOM 1340 N ASP B 19 10.916 -2.610 -11.563 1.00 0.00 N ATOM 1341 CA ASP B 19 12.202 -3.311 -11.282 1.00 0.00 C ATOM 1342 C ASP B 19 11.989 -4.205 -10.038 1.00 0.00 C ATOM 1343 O ASP B 19 11.551 -3.715 -9.017 1.00 0.00 O ATOM 1344 CB ASP B 19 13.303 -2.276 -10.994 1.00 0.00 C ATOM 1345 CG ASP B 19 13.880 -1.754 -12.315 1.00 0.00 C ATOM 1346 OD1 ASP B 19 14.217 -2.570 -13.156 1.00 0.00 O ATOM 1347 OD2 ASP B 19 13.975 -0.547 -12.458 1.00 0.00 O ATOM 0 H ASP B 19 10.469 -2.200 -10.743 1.00 0.00 H new ATOM 0 HA ASP B 19 12.505 -3.913 -12.138 1.00 0.00 H new ATOM 0 HB2 ASP B 19 12.895 -1.449 -10.412 1.00 0.00 H new ATOM 0 HB3 ASP B 19 14.093 -2.728 -10.395 1.00 0.00 H new ATOM 1352 N PRO B 20 12.275 -5.491 -10.100 1.00 0.00 N ATOM 1353 CA PRO B 20 12.106 -6.395 -8.919 1.00 0.00 C ATOM 1354 C PRO B 20 12.782 -5.821 -7.672 1.00 0.00 C ATOM 1355 O PRO B 20 12.410 -6.106 -6.547 1.00 0.00 O ATOM 1356 CB PRO B 20 12.791 -7.700 -9.352 1.00 0.00 C ATOM 1357 CG PRO B 20 12.766 -7.688 -10.844 1.00 0.00 C ATOM 1358 CD PRO B 20 12.791 -6.220 -11.273 1.00 0.00 C ATOM 0 HA PRO B 20 11.058 -6.531 -8.651 1.00 0.00 H new ATOM 0 HB2 PRO B 20 13.813 -7.750 -8.977 1.00 0.00 H new ATOM 0 HB3 PRO B 20 12.264 -8.569 -8.958 1.00 0.00 H new ATOM 0 HG2 PRO B 20 13.624 -8.224 -11.250 1.00 0.00 H new ATOM 0 HG3 PRO B 20 11.872 -8.186 -11.220 1.00 0.00 H new ATOM 0 HD2 PRO B 20 13.800 -5.897 -11.530 1.00 0.00 H new ATOM 0 HD3 PRO B 20 12.169 -6.051 -12.152 1.00 0.00 H new ATOM 1366 N LYS B 21 13.785 -5.014 -7.873 1.00 0.00 N ATOM 1367 CA LYS B 21 14.515 -4.404 -6.726 1.00 0.00 C ATOM 1368 C LYS B 21 13.835 -3.090 -6.332 1.00 0.00 C ATOM 1369 O LYS B 21 14.189 -2.454 -5.357 1.00 0.00 O ATOM 1370 CB LYS B 21 15.962 -4.138 -7.150 1.00 0.00 C ATOM 1371 CG LYS B 21 15.984 -3.330 -8.457 1.00 0.00 C ATOM 1372 CD LYS B 21 17.395 -2.776 -8.702 1.00 0.00 C ATOM 1373 CE LYS B 21 18.361 -3.918 -9.036 1.00 0.00 C ATOM 1374 NZ LYS B 21 17.774 -4.778 -10.102 1.00 0.00 N ATOM 0 H LYS B 21 14.135 -4.748 -8.793 1.00 0.00 H new ATOM 0 HA LYS B 21 14.503 -5.079 -5.870 1.00 0.00 H new ATOM 0 HB2 LYS B 21 16.485 -3.591 -6.366 1.00 0.00 H new ATOM 0 HB3 LYS B 21 16.489 -5.082 -7.287 1.00 0.00 H new ATOM 0 HG2 LYS B 21 15.682 -3.963 -9.292 1.00 0.00 H new ATOM 0 HG3 LYS B 21 15.266 -2.511 -8.401 1.00 0.00 H new ATOM 0 HD2 LYS B 21 17.374 -2.056 -9.520 1.00 0.00 H new ATOM 0 HD3 LYS B 21 17.743 -2.243 -7.817 1.00 0.00 H new ATOM 0 HE2 LYS B 21 19.317 -3.513 -9.368 1.00 0.00 H new ATOM 0 HE3 LYS B 21 18.559 -4.512 -8.144 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 18.531 -5.313 -10.573 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 17.094 -5.441 -9.678 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 17.286 -4.181 -10.800 1.00 0.00 H new ATOM 1388 N GLU B 22 12.853 -2.689 -7.086 1.00 0.00 N ATOM 1389 CA GLU B 22 12.123 -1.428 -6.772 1.00 0.00 C ATOM 1390 C GLU B 22 10.969 -1.249 -7.761 1.00 0.00 C ATOM 1391 O GLU B 22 11.133 -1.394 -8.957 1.00 0.00 O ATOM 1392 CB GLU B 22 13.073 -0.221 -6.853 1.00 0.00 C ATOM 1393 CG GLU B 22 12.258 1.084 -6.810 1.00 0.00 C ATOM 1394 CD GLU B 22 13.143 2.240 -6.338 1.00 0.00 C ATOM 1395 OE1 GLU B 22 14.335 2.026 -6.196 1.00 0.00 O ATOM 1396 OE2 GLU B 22 12.611 3.316 -6.126 1.00 0.00 O ATOM 0 H GLU B 22 12.521 -3.184 -7.914 1.00 0.00 H new ATOM 0 HA GLU B 22 11.729 -1.490 -5.758 1.00 0.00 H new ATOM 0 HB2 GLU B 22 13.781 -0.247 -6.024 1.00 0.00 H new ATOM 0 HB3 GLU B 22 13.657 -0.266 -7.772 1.00 0.00 H new ATOM 0 HG2 GLU B 22 11.856 1.304 -7.799 1.00 0.00 H new ATOM 0 HG3 GLU B 22 11.407 0.969 -6.138 1.00 0.00 H new ATOM 1403 N ILE B 23 9.801 -0.929 -7.266 1.00 0.00 N ATOM 1404 CA ILE B 23 8.622 -0.731 -8.166 1.00 0.00 C ATOM 1405 C ILE B 23 8.049 0.664 -7.953 1.00 0.00 C ATOM 1406 O ILE B 23 7.773 1.072 -6.839 1.00 0.00 O ATOM 1407 CB ILE B 23 7.553 -1.775 -7.852 1.00 0.00 C ATOM 1408 CG1 ILE B 23 8.121 -3.167 -8.146 1.00 0.00 C ATOM 1409 CG2 ILE B 23 6.326 -1.515 -8.730 1.00 0.00 C ATOM 1410 CD1 ILE B 23 7.129 -4.243 -7.698 1.00 0.00 C ATOM 0 H ILE B 23 9.611 -0.795 -6.273 1.00 0.00 H new ATOM 0 HA ILE B 23 8.938 -0.840 -9.203 1.00 0.00 H new ATOM 0 HB ILE B 23 7.262 -1.715 -6.803 1.00 0.00 H new ATOM 0 HG12 ILE B 23 8.323 -3.268 -9.212 1.00 0.00 H new ATOM 0 HG13 ILE B 23 9.071 -3.298 -7.628 1.00 0.00 H new ATOM 0 HG21 ILE B 23 5.558 -2.257 -8.511 1.00 0.00 H new ATOM 0 HG22 ILE B 23 5.936 -0.518 -8.525 1.00 0.00 H new ATOM 0 HG23 ILE B 23 6.609 -1.585 -9.780 1.00 0.00 H new ATOM 0 HD11 ILE B 23 7.541 -5.229 -7.911 1.00 0.00 H new ATOM 0 HD12 ILE B 23 6.949 -4.149 -6.627 1.00 0.00 H new ATOM 0 HD13 ILE B 23 6.189 -4.119 -8.236 1.00 0.00 H new ATOM 1422 N LEU B 24 7.876 1.399 -9.019 1.00 0.00 N ATOM 1423 CA LEU B 24 7.327 2.786 -8.919 1.00 0.00 C ATOM 1424 C LEU B 24 6.009 2.865 -9.674 1.00 0.00 C ATOM 1425 O LEU B 24 5.909 2.461 -10.820 1.00 0.00 O ATOM 1426 CB LEU B 24 8.333 3.761 -9.535 1.00 0.00 C ATOM 1427 CG LEU B 24 9.629 3.764 -8.704 1.00 0.00 C ATOM 1428 CD1 LEU B 24 10.811 4.192 -9.580 1.00 0.00 C ATOM 1429 CD2 LEU B 24 9.494 4.747 -7.529 1.00 0.00 C ATOM 0 H LEU B 24 8.094 1.095 -9.968 1.00 0.00 H new ATOM 0 HA LEU B 24 7.156 3.044 -7.874 1.00 0.00 H new ATOM 0 HB2 LEU B 24 8.550 3.473 -10.564 1.00 0.00 H new ATOM 0 HB3 LEU B 24 7.908 4.764 -9.568 1.00 0.00 H new ATOM 0 HG LEU B 24 9.803 2.758 -8.323 1.00 0.00 H new ATOM 0 HD11 LEU B 24 11.724 4.192 -8.985 1.00 0.00 H new ATOM 0 HD12 LEU B 24 10.919 3.495 -10.411 1.00 0.00 H new ATOM 0 HD13 LEU B 24 10.632 5.195 -9.969 1.00 0.00 H new ATOM 0 HD21 LEU B 24 10.414 4.744 -6.945 1.00 0.00 H new ATOM 0 HD22 LEU B 24 9.311 5.750 -7.913 1.00 0.00 H new ATOM 0 HD23 LEU B 24 8.661 4.444 -6.895 1.00 0.00 H new ATOM 1441 N LEU B 25 4.996 3.373 -9.033 1.00 0.00 N ATOM 1442 CA LEU B 25 3.657 3.482 -9.683 1.00 0.00 C ATOM 1443 C LEU B 25 3.102 4.890 -9.494 1.00 0.00 C ATOM 1444 O LEU B 25 3.093 5.433 -8.403 1.00 0.00 O ATOM 1445 CB LEU B 25 2.707 2.468 -9.047 1.00 0.00 C ATOM 1446 CG LEU B 25 3.207 1.045 -9.338 1.00 0.00 C ATOM 1447 CD1 LEU B 25 2.403 0.043 -8.505 1.00 0.00 C ATOM 1448 CD2 LEU B 25 3.052 0.717 -10.837 1.00 0.00 C ATOM 0 H LEU B 25 5.037 3.722 -8.075 1.00 0.00 H new ATOM 0 HA LEU B 25 3.754 3.278 -10.749 1.00 0.00 H new ATOM 0 HB2 LEU B 25 2.650 2.632 -7.971 1.00 0.00 H new ATOM 0 HB3 LEU B 25 1.700 2.599 -9.443 1.00 0.00 H new ATOM 0 HG LEU B 25 4.262 0.979 -9.073 1.00 0.00 H new ATOM 0 HD11 LEU B 25 2.757 -0.967 -8.710 1.00 0.00 H new ATOM 0 HD12 LEU B 25 2.532 0.264 -7.446 1.00 0.00 H new ATOM 0 HD13 LEU B 25 1.347 0.118 -8.765 1.00 0.00 H new ATOM 0 HD21 LEU B 25 3.411 -0.295 -11.027 1.00 0.00 H new ATOM 0 HD22 LEU B 25 2.001 0.788 -11.118 1.00 0.00 H new ATOM 0 HD23 LEU B 25 3.634 1.425 -11.427 1.00 0.00 H new ATOM 1460 N GLU B 26 2.630 5.477 -10.556 1.00 0.00 N ATOM 1461 CA GLU B 26 2.049 6.848 -10.479 1.00 0.00 C ATOM 1462 C GLU B 26 0.536 6.725 -10.323 1.00 0.00 C ATOM 1463 O GLU B 26 -0.157 6.244 -11.210 1.00 0.00 O ATOM 1464 CB GLU B 26 2.398 7.615 -11.757 1.00 0.00 C ATOM 1465 CG GLU B 26 1.597 8.921 -11.821 1.00 0.00 C ATOM 1466 CD GLU B 26 2.117 9.786 -12.970 1.00 0.00 C ATOM 1467 OE1 GLU B 26 3.244 10.244 -12.877 1.00 0.00 O ATOM 1468 OE2 GLU B 26 1.373 9.990 -13.914 1.00 0.00 O ATOM 0 H GLU B 26 2.621 5.061 -11.487 1.00 0.00 H new ATOM 0 HA GLU B 26 2.456 7.391 -9.626 1.00 0.00 H new ATOM 0 HB2 GLU B 26 3.466 7.832 -11.780 1.00 0.00 H new ATOM 0 HB3 GLU B 26 2.179 7.001 -12.631 1.00 0.00 H new ATOM 0 HG2 GLU B 26 0.539 8.704 -11.966 1.00 0.00 H new ATOM 0 HG3 GLU B 26 1.685 9.460 -10.878 1.00 0.00 H new ATOM 1475 N THR B 27 0.024 7.148 -9.193 1.00 0.00 N ATOM 1476 CA THR B 27 -1.445 7.061 -8.930 1.00 0.00 C ATOM 1477 C THR B 27 -1.996 8.443 -8.548 1.00 0.00 C ATOM 1478 O THR B 27 -1.287 9.290 -8.037 1.00 0.00 O ATOM 1479 CB THR B 27 -1.691 6.062 -7.792 1.00 0.00 C ATOM 1480 OG1 THR B 27 -3.068 6.065 -7.447 1.00 0.00 O ATOM 1481 CG2 THR B 27 -0.856 6.443 -6.567 1.00 0.00 C ATOM 0 H THR B 27 0.569 7.555 -8.433 1.00 0.00 H new ATOM 0 HA THR B 27 -1.957 6.722 -9.830 1.00 0.00 H new ATOM 0 HB THR B 27 -1.399 5.066 -8.125 1.00 0.00 H new ATOM 0 HG1 THR B 27 -3.520 5.323 -7.900 1.00 0.00 H new ATOM 0 HG21 THR B 27 -1.038 5.727 -5.765 1.00 0.00 H new ATOM 0 HG22 THR B 27 0.202 6.432 -6.830 1.00 0.00 H new ATOM 0 HG23 THR B 27 -1.136 7.442 -6.232 1.00 0.00 H new ATOM 1489 N ILE B 28 -3.264 8.652 -8.803 1.00 0.00 N ATOM 1490 CA ILE B 28 -3.939 9.957 -8.488 1.00 0.00 C ATOM 1491 C ILE B 28 -3.085 11.142 -8.956 1.00 0.00 C ATOM 1492 O ILE B 28 -3.349 11.755 -9.975 1.00 0.00 O ATOM 1493 CB ILE B 28 -4.180 10.076 -6.977 1.00 0.00 C ATOM 1494 CG1 ILE B 28 -4.743 8.755 -6.441 1.00 0.00 C ATOM 1495 CG2 ILE B 28 -5.182 11.210 -6.701 1.00 0.00 C ATOM 1496 CD1 ILE B 28 -5.945 8.311 -7.283 1.00 0.00 C ATOM 0 H ILE B 28 -3.878 7.956 -9.227 1.00 0.00 H new ATOM 0 HA ILE B 28 -4.893 9.978 -9.016 1.00 0.00 H new ATOM 0 HB ILE B 28 -3.236 10.297 -6.478 1.00 0.00 H new ATOM 0 HG12 ILE B 28 -3.970 7.986 -6.463 1.00 0.00 H new ATOM 0 HG13 ILE B 28 -5.043 8.875 -5.400 1.00 0.00 H new ATOM 0 HG21 ILE B 28 -5.351 11.292 -5.627 1.00 0.00 H new ATOM 0 HG22 ILE B 28 -4.780 12.150 -7.078 1.00 0.00 H new ATOM 0 HG23 ILE B 28 -6.125 10.992 -7.202 1.00 0.00 H new ATOM 0 HD11 ILE B 28 -6.336 7.372 -6.892 1.00 0.00 H new ATOM 0 HD12 ILE B 28 -6.722 9.074 -7.238 1.00 0.00 H new ATOM 0 HD13 ILE B 28 -5.633 8.171 -8.318 1.00 0.00 H new ATOM 1508 N GLN B 29 -2.070 11.476 -8.213 1.00 0.00 N ATOM 1509 CA GLN B 29 -1.191 12.617 -8.588 1.00 0.00 C ATOM 1510 C GLN B 29 0.217 12.373 -8.026 1.00 0.00 C ATOM 1511 O GLN B 29 1.195 12.917 -8.503 1.00 0.00 O ATOM 1512 CB GLN B 29 -1.755 13.917 -7.992 1.00 0.00 C ATOM 1513 CG GLN B 29 -2.203 13.681 -6.542 1.00 0.00 C ATOM 1514 CD GLN B 29 -2.733 14.989 -5.945 1.00 0.00 C ATOM 1515 OE1 GLN B 29 -2.281 16.059 -6.299 1.00 0.00 O ATOM 1516 NE2 GLN B 29 -3.684 14.948 -5.046 1.00 0.00 N ATOM 0 H GLN B 29 -1.808 11.001 -7.350 1.00 0.00 H new ATOM 0 HA GLN B 29 -1.147 12.703 -9.674 1.00 0.00 H new ATOM 0 HB2 GLN B 29 -0.997 14.700 -8.024 1.00 0.00 H new ATOM 0 HB3 GLN B 29 -2.598 14.265 -8.589 1.00 0.00 H new ATOM 0 HG2 GLN B 29 -2.978 12.916 -6.511 1.00 0.00 H new ATOM 0 HG3 GLN B 29 -1.367 13.312 -5.948 1.00 0.00 H new ATOM 0 HE21 GLN B 29 -4.065 14.050 -4.747 1.00 0.00 H new ATOM 0 HE22 GLN B 29 -4.044 15.814 -4.644 1.00 0.00 H new ATOM 1525 N GLY B 30 0.328 11.561 -7.001 1.00 0.00 N ATOM 1526 CA GLY B 30 1.670 11.285 -6.390 1.00 0.00 C ATOM 1527 C GLY B 30 2.233 9.963 -6.904 1.00 0.00 C ATOM 1528 O GLY B 30 1.590 9.244 -7.647 1.00 0.00 O ATOM 0 H GLY B 30 -0.454 11.076 -6.560 1.00 0.00 H new ATOM 0 HA2 GLY B 30 2.358 12.096 -6.628 1.00 0.00 H new ATOM 0 HA3 GLY B 30 1.581 11.251 -5.304 1.00 0.00 H new ATOM 1532 N VAL B 31 3.438 9.638 -6.508 1.00 0.00 N ATOM 1533 CA VAL B 31 4.081 8.364 -6.951 1.00 0.00 C ATOM 1534 C VAL B 31 4.428 7.521 -5.732 1.00 0.00 C ATOM 1535 O VAL B 31 4.966 8.006 -4.753 1.00 0.00 O ATOM 1536 CB VAL B 31 5.355 8.672 -7.740 1.00 0.00 C ATOM 1537 CG1 VAL B 31 6.148 7.378 -7.968 1.00 0.00 C ATOM 1538 CG2 VAL B 31 4.974 9.283 -9.089 1.00 0.00 C ATOM 0 H VAL B 31 4.011 10.210 -5.888 1.00 0.00 H new ATOM 0 HA VAL B 31 3.389 7.815 -7.589 1.00 0.00 H new ATOM 0 HB VAL B 31 5.971 9.375 -7.179 1.00 0.00 H new ATOM 0 HG11 VAL B 31 7.055 7.601 -8.530 1.00 0.00 H new ATOM 0 HG12 VAL B 31 6.416 6.941 -7.006 1.00 0.00 H new ATOM 0 HG13 VAL B 31 5.537 6.671 -8.530 1.00 0.00 H new ATOM 0 HG21 VAL B 31 5.878 9.505 -9.656 1.00 0.00 H new ATOM 0 HG22 VAL B 31 4.359 8.577 -9.647 1.00 0.00 H new ATOM 0 HG23 VAL B 31 4.413 10.203 -8.926 1.00 0.00 H new ATOM 1548 N LEU B 32 4.124 6.253 -5.792 1.00 0.00 N ATOM 1549 CA LEU B 32 4.426 5.342 -4.652 1.00 0.00 C ATOM 1550 C LEU B 32 5.634 4.471 -4.996 1.00 0.00 C ATOM 1551 O LEU B 32 5.685 3.835 -6.035 1.00 0.00 O ATOM 1552 CB LEU B 32 3.209 4.452 -4.381 1.00 0.00 C ATOM 1553 CG LEU B 32 3.465 3.574 -3.146 1.00 0.00 C ATOM 1554 CD1 LEU B 32 3.636 4.452 -1.892 1.00 0.00 C ATOM 1555 CD2 LEU B 32 2.285 2.615 -2.953 1.00 0.00 C ATOM 0 H LEU B 32 3.675 5.805 -6.591 1.00 0.00 H new ATOM 0 HA LEU B 32 4.652 5.932 -3.763 1.00 0.00 H new ATOM 0 HB2 LEU B 32 2.325 5.069 -4.222 1.00 0.00 H new ATOM 0 HB3 LEU B 32 3.007 3.824 -5.249 1.00 0.00 H new ATOM 0 HG LEU B 32 4.380 3.002 -3.297 1.00 0.00 H new ATOM 0 HD11 LEU B 32 3.817 3.817 -1.025 1.00 0.00 H new ATOM 0 HD12 LEU B 32 4.482 5.125 -2.032 1.00 0.00 H new ATOM 0 HD13 LEU B 32 2.730 5.037 -1.731 1.00 0.00 H new ATOM 0 HD21 LEU B 32 2.463 1.990 -2.078 1.00 0.00 H new ATOM 0 HD22 LEU B 32 1.370 3.189 -2.809 1.00 0.00 H new ATOM 0 HD23 LEU B 32 2.182 1.983 -3.835 1.00 0.00 H new ATOM 1567 N SER B 33 6.608 4.445 -4.128 1.00 0.00 N ATOM 1568 CA SER B 33 7.835 3.626 -4.368 1.00 0.00 C ATOM 1569 C SER B 33 7.877 2.483 -3.359 1.00 0.00 C ATOM 1570 O SER B 33 7.880 2.696 -2.157 1.00 0.00 O ATOM 1571 CB SER B 33 9.069 4.506 -4.192 1.00 0.00 C ATOM 1572 OG SER B 33 10.238 3.721 -4.397 1.00 0.00 O ATOM 0 H SER B 33 6.607 4.963 -3.250 1.00 0.00 H new ATOM 0 HA SER B 33 7.818 3.221 -5.380 1.00 0.00 H new ATOM 0 HB2 SER B 33 9.044 5.334 -4.901 1.00 0.00 H new ATOM 0 HB3 SER B 33 9.080 4.942 -3.193 1.00 0.00 H new ATOM 0 HG SER B 33 11.033 4.283 -4.287 1.00 0.00 H new ATOM 1578 N ILE B 34 7.904 1.268 -3.845 1.00 0.00 N ATOM 1579 CA ILE B 34 7.934 0.079 -2.941 1.00 0.00 C ATOM 1580 C ILE B 34 9.323 -0.547 -2.941 1.00 0.00 C ATOM 1581 O ILE B 34 9.909 -0.801 -3.981 1.00 0.00 O ATOM 1582 CB ILE B 34 6.916 -0.953 -3.421 1.00 0.00 C ATOM 1583 CG1 ILE B 34 5.516 -0.343 -3.359 1.00 0.00 C ATOM 1584 CG2 ILE B 34 6.979 -2.189 -2.522 1.00 0.00 C ATOM 1585 CD1 ILE B 34 4.519 -1.267 -4.060 1.00 0.00 C ATOM 0 H ILE B 34 7.907 1.047 -4.841 1.00 0.00 H new ATOM 0 HA ILE B 34 7.686 0.399 -1.929 1.00 0.00 H new ATOM 0 HB ILE B 34 7.143 -1.243 -4.447 1.00 0.00 H new ATOM 0 HG12 ILE B 34 5.220 -0.193 -2.321 1.00 0.00 H new ATOM 0 HG13 ILE B 34 5.515 0.637 -3.835 1.00 0.00 H new ATOM 0 HG21 ILE B 34 6.252 -2.926 -2.865 1.00 0.00 H new ATOM 0 HG22 ILE B 34 7.980 -2.619 -2.565 1.00 0.00 H new ATOM 0 HG23 ILE B 34 6.750 -1.904 -1.495 1.00 0.00 H new ATOM 0 HD11 ILE B 34 3.522 -0.829 -4.014 1.00 0.00 H new ATOM 0 HD12 ILE B 34 4.811 -1.394 -5.102 1.00 0.00 H new ATOM 0 HD13 ILE B 34 4.512 -2.238 -3.564 1.00 0.00 H new ATOM 1597 N LYS B 35 9.849 -0.802 -1.774 1.00 0.00 N ATOM 1598 CA LYS B 35 11.203 -1.420 -1.655 1.00 0.00 C ATOM 1599 C LYS B 35 11.108 -2.643 -0.750 1.00 0.00 C ATOM 1600 O LYS B 35 10.399 -2.645 0.240 1.00 0.00 O ATOM 1601 CB LYS B 35 12.170 -0.414 -1.038 1.00 0.00 C ATOM 1602 CG LYS B 35 12.438 0.714 -2.032 1.00 0.00 C ATOM 1603 CD LYS B 35 13.332 1.777 -1.378 1.00 0.00 C ATOM 1604 CE LYS B 35 14.782 1.278 -1.307 1.00 0.00 C ATOM 1605 NZ LYS B 35 15.687 2.426 -1.023 1.00 0.00 N ATOM 0 H LYS B 35 9.392 -0.606 -0.884 1.00 0.00 H new ATOM 0 HA LYS B 35 11.563 -1.711 -2.642 1.00 0.00 H new ATOM 0 HB2 LYS B 35 11.751 -0.009 -0.117 1.00 0.00 H new ATOM 0 HB3 LYS B 35 13.105 -0.908 -0.772 1.00 0.00 H new ATOM 0 HG2 LYS B 35 12.921 0.318 -2.925 1.00 0.00 H new ATOM 0 HG3 LYS B 35 11.497 1.162 -2.351 1.00 0.00 H new ATOM 0 HD2 LYS B 35 13.286 2.704 -1.950 1.00 0.00 H new ATOM 0 HD3 LYS B 35 12.968 2.003 -0.376 1.00 0.00 H new ATOM 0 HE2 LYS B 35 14.880 0.522 -0.528 1.00 0.00 H new ATOM 0 HE3 LYS B 35 15.062 0.804 -2.248 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 16.670 2.090 -0.975 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 15.600 3.133 -1.781 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 15.424 2.859 -0.115 1.00 0.00 H new ATOM 1619 N GLY B 36 11.813 -3.685 -1.077 1.00 0.00 N ATOM 1620 CA GLY B 36 11.754 -4.906 -0.234 1.00 0.00 C ATOM 1621 C GLY B 36 12.656 -5.992 -0.814 1.00 0.00 C ATOM 1622 O GLY B 36 13.743 -5.729 -1.295 1.00 0.00 O ATOM 0 H GLY B 36 12.426 -3.744 -1.890 1.00 0.00 H new ATOM 0 HA2 GLY B 36 12.066 -4.670 0.783 1.00 0.00 H new ATOM 0 HA3 GLY B 36 10.727 -5.268 -0.177 1.00 0.00 H new ATOM 1626 N GLU B 37 12.210 -7.218 -0.755 1.00 0.00 N ATOM 1627 CA GLU B 37 13.013 -8.359 -1.277 1.00 0.00 C ATOM 1628 C GLU B 37 12.148 -9.208 -2.215 1.00 0.00 C ATOM 1629 O GLU B 37 11.007 -9.518 -1.924 1.00 0.00 O ATOM 1630 CB GLU B 37 13.464 -9.213 -0.093 1.00 0.00 C ATOM 1631 CG GLU B 37 14.457 -10.281 -0.553 1.00 0.00 C ATOM 1632 CD GLU B 37 15.844 -9.656 -0.725 1.00 0.00 C ATOM 1633 OE1 GLU B 37 16.337 -9.091 0.237 1.00 0.00 O ATOM 1634 OE2 GLU B 37 16.389 -9.756 -1.812 1.00 0.00 O ATOM 0 H GLU B 37 11.307 -7.480 -0.360 1.00 0.00 H new ATOM 0 HA GLU B 37 13.878 -7.988 -1.826 1.00 0.00 H new ATOM 0 HB2 GLU B 37 13.926 -8.580 0.665 1.00 0.00 H new ATOM 0 HB3 GLU B 37 12.600 -9.687 0.372 1.00 0.00 H new ATOM 0 HG2 GLU B 37 14.500 -11.090 0.176 1.00 0.00 H new ATOM 0 HG3 GLU B 37 14.125 -10.718 -1.495 1.00 0.00 H new ATOM 1641 N LYS B 38 12.698 -9.588 -3.332 1.00 0.00 N ATOM 1642 CA LYS B 38 11.950 -10.427 -4.317 1.00 0.00 C ATOM 1643 C LYS B 38 10.517 -9.905 -4.472 1.00 0.00 C ATOM 1644 O LYS B 38 9.578 -10.428 -3.905 1.00 0.00 O ATOM 1645 CB LYS B 38 11.949 -11.903 -3.855 1.00 0.00 C ATOM 1646 CG LYS B 38 13.059 -12.682 -4.578 1.00 0.00 C ATOM 1647 CD LYS B 38 14.423 -12.150 -4.134 1.00 0.00 C ATOM 1648 CE LYS B 38 15.525 -12.841 -4.933 1.00 0.00 C ATOM 1649 NZ LYS B 38 15.528 -14.295 -4.614 1.00 0.00 N ATOM 0 H LYS B 38 13.650 -9.351 -3.612 1.00 0.00 H new ATOM 0 HA LYS B 38 12.443 -10.368 -5.287 1.00 0.00 H new ATOM 0 HB2 LYS B 38 12.100 -11.955 -2.777 1.00 0.00 H new ATOM 0 HB3 LYS B 38 10.980 -12.357 -4.063 1.00 0.00 H new ATOM 0 HG2 LYS B 38 12.979 -13.745 -4.351 1.00 0.00 H new ATOM 0 HG3 LYS B 38 12.949 -12.577 -5.657 1.00 0.00 H new ATOM 0 HD2 LYS B 38 14.471 -11.072 -4.285 1.00 0.00 H new ATOM 0 HD3 LYS B 38 14.565 -12.329 -3.068 1.00 0.00 H new ATOM 0 HE2 LYS B 38 15.364 -12.692 -6.001 1.00 0.00 H new ATOM 0 HE3 LYS B 38 16.494 -12.402 -4.693 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 16.430 -14.715 -4.916 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 15.411 -14.426 -3.589 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 14.744 -14.762 -5.114 1.00 0.00 H new ATOM 1663 N LEU B 39 10.351 -8.880 -5.258 1.00 0.00 N ATOM 1664 CA LEU B 39 8.992 -8.311 -5.491 1.00 0.00 C ATOM 1665 C LEU B 39 8.424 -8.930 -6.767 1.00 0.00 C ATOM 1666 O LEU B 39 8.323 -8.299 -7.801 1.00 0.00 O ATOM 1667 CB LEU B 39 9.100 -6.787 -5.618 1.00 0.00 C ATOM 1668 CG LEU B 39 9.125 -6.162 -4.218 1.00 0.00 C ATOM 1669 CD1 LEU B 39 10.215 -6.831 -3.372 1.00 0.00 C ATOM 1670 CD2 LEU B 39 9.415 -4.666 -4.328 1.00 0.00 C ATOM 0 H LEU B 39 11.105 -8.406 -5.755 1.00 0.00 H new ATOM 0 HA LEU B 39 8.326 -8.538 -4.659 1.00 0.00 H new ATOM 0 HB2 LEU B 39 10.004 -6.519 -6.164 1.00 0.00 H new ATOM 0 HB3 LEU B 39 8.256 -6.397 -6.188 1.00 0.00 H new ATOM 0 HG LEU B 39 8.155 -6.310 -3.743 1.00 0.00 H new ATOM 0 HD11 LEU B 39 10.230 -6.384 -2.378 1.00 0.00 H new ATOM 0 HD12 LEU B 39 10.007 -7.898 -3.287 1.00 0.00 H new ATOM 0 HD13 LEU B 39 11.185 -6.688 -3.849 1.00 0.00 H new ATOM 0 HD21 LEU B 39 9.432 -4.224 -3.332 1.00 0.00 H new ATOM 0 HD22 LEU B 39 10.382 -4.517 -4.808 1.00 0.00 H new ATOM 0 HD23 LEU B 39 8.638 -4.187 -4.924 1.00 0.00 H new ATOM 1682 N GLY B 40 8.073 -10.184 -6.689 1.00 0.00 N ATOM 1683 CA GLY B 40 7.525 -10.896 -7.874 1.00 0.00 C ATOM 1684 C GLY B 40 6.091 -10.458 -8.139 1.00 0.00 C ATOM 1685 O GLY B 40 5.493 -9.726 -7.371 1.00 0.00 O ATOM 0 H GLY B 40 8.144 -10.751 -5.844 1.00 0.00 H new ATOM 0 HA2 GLY B 40 8.143 -10.690 -8.748 1.00 0.00 H new ATOM 0 HA3 GLY B 40 7.558 -11.973 -7.707 1.00 0.00 H new ATOM 1764 N VAL B 51 -2.612 -3.842 -10.523 1.00 0.00 N ATOM 1765 CA VAL B 51 -1.201 -4.245 -10.240 1.00 0.00 C ATOM 1766 C VAL B 51 -1.156 -5.133 -8.999 1.00 0.00 C ATOM 1767 O VAL B 51 -1.756 -4.840 -7.981 1.00 0.00 O ATOM 1768 CB VAL B 51 -0.350 -2.995 -10.006 1.00 0.00 C ATOM 1769 CG1 VAL B 51 -0.099 -2.300 -11.343 1.00 0.00 C ATOM 1770 CG2 VAL B 51 -1.085 -2.029 -9.067 1.00 0.00 C ATOM 0 HA VAL B 51 -0.808 -4.799 -11.092 1.00 0.00 H new ATOM 0 HB VAL B 51 0.598 -3.286 -9.553 1.00 0.00 H new ATOM 0 HG11 VAL B 51 0.507 -1.409 -11.182 1.00 0.00 H new ATOM 0 HG12 VAL B 51 0.427 -2.980 -12.013 1.00 0.00 H new ATOM 0 HG13 VAL B 51 -1.052 -2.015 -11.789 1.00 0.00 H new ATOM 0 HG21 VAL B 51 -0.473 -1.142 -8.906 1.00 0.00 H new ATOM 0 HG22 VAL B 51 -2.035 -1.738 -9.516 1.00 0.00 H new ATOM 0 HG23 VAL B 51 -1.271 -2.520 -8.112 1.00 0.00 H new ATOM 1780 N GLU B 52 -0.445 -6.223 -9.089 1.00 0.00 N ATOM 1781 CA GLU B 52 -0.323 -7.171 -7.941 1.00 0.00 C ATOM 1782 C GLU B 52 1.157 -7.422 -7.674 1.00 0.00 C ATOM 1783 O GLU B 52 1.921 -7.729 -8.574 1.00 0.00 O ATOM 1784 CB GLU B 52 -1.022 -8.484 -8.295 1.00 0.00 C ATOM 1785 CG GLU B 52 -2.537 -8.287 -8.213 1.00 0.00 C ATOM 1786 CD GLU B 52 -3.248 -9.468 -8.870 1.00 0.00 C ATOM 1787 OE1 GLU B 52 -3.070 -9.651 -10.063 1.00 0.00 O ATOM 1788 OE2 GLU B 52 -3.980 -10.155 -8.177 1.00 0.00 O ATOM 0 H GLU B 52 0.067 -6.503 -9.925 1.00 0.00 H new ATOM 0 HA GLU B 52 -0.790 -6.751 -7.050 1.00 0.00 H new ATOM 0 HB2 GLU B 52 -0.739 -8.801 -9.299 1.00 0.00 H new ATOM 0 HB3 GLU B 52 -0.708 -9.272 -7.611 1.00 0.00 H new ATOM 0 HG2 GLU B 52 -2.846 -8.199 -7.171 1.00 0.00 H new ATOM 0 HG3 GLU B 52 -2.820 -7.359 -8.709 1.00 0.00 H new ATOM 1795 N VAL B 53 1.571 -7.277 -6.442 1.00 0.00 N ATOM 1796 CA VAL B 53 3.010 -7.483 -6.091 1.00 0.00 C ATOM 1797 C VAL B 53 3.108 -8.459 -4.922 1.00 0.00 C ATOM 1798 O VAL B 53 2.368 -8.366 -3.958 1.00 0.00 O ATOM 1799 CB VAL B 53 3.632 -6.152 -5.686 1.00 0.00 C ATOM 1800 CG1 VAL B 53 5.073 -6.382 -5.227 1.00 0.00 C ATOM 1801 CG2 VAL B 53 3.616 -5.203 -6.880 1.00 0.00 C ATOM 0 H VAL B 53 0.970 -7.023 -5.658 1.00 0.00 H new ATOM 0 HA VAL B 53 3.540 -7.885 -6.954 1.00 0.00 H new ATOM 0 HB VAL B 53 3.060 -5.713 -4.868 1.00 0.00 H new ATOM 0 HG11 VAL B 53 5.519 -5.431 -4.937 1.00 0.00 H new ATOM 0 HG12 VAL B 53 5.079 -7.061 -4.374 1.00 0.00 H new ATOM 0 HG13 VAL B 53 5.649 -6.819 -6.042 1.00 0.00 H new ATOM 0 HG21 VAL B 53 4.060 -4.250 -6.593 1.00 0.00 H new ATOM 0 HG22 VAL B 53 4.189 -5.639 -7.699 1.00 0.00 H new ATOM 0 HG23 VAL B 53 2.587 -5.041 -7.203 1.00 0.00 H new ATOM 1811 N GLU B 54 4.023 -9.388 -4.995 1.00 0.00 N ATOM 1812 CA GLU B 54 4.196 -10.386 -3.897 1.00 0.00 C ATOM 1813 C GLU B 54 5.615 -10.292 -3.347 1.00 0.00 C ATOM 1814 O GLU B 54 6.587 -10.225 -4.085 1.00 0.00 O ATOM 1815 CB GLU B 54 3.950 -11.802 -4.436 1.00 0.00 C ATOM 1816 CG GLU B 54 4.647 -11.972 -5.790 1.00 0.00 C ATOM 1817 CD GLU B 54 4.725 -13.460 -6.145 1.00 0.00 C ATOM 1818 OE1 GLU B 54 4.061 -14.243 -5.485 1.00 0.00 O ATOM 1819 OE2 GLU B 54 5.451 -13.793 -7.067 1.00 0.00 O ATOM 0 H GLU B 54 4.667 -9.500 -5.778 1.00 0.00 H new ATOM 0 HA GLU B 54 3.480 -10.175 -3.103 1.00 0.00 H new ATOM 0 HB2 GLU B 54 4.326 -12.541 -3.728 1.00 0.00 H new ATOM 0 HB3 GLU B 54 2.880 -11.979 -4.543 1.00 0.00 H new ATOM 0 HG2 GLU B 54 4.100 -11.432 -6.562 1.00 0.00 H new ATOM 0 HG3 GLU B 54 5.649 -11.544 -5.751 1.00 0.00 H new ATOM 1826 N GLY B 55 5.743 -10.286 -2.053 1.00 0.00 N ATOM 1827 CA GLY B 55 7.097 -10.203 -1.438 1.00 0.00 C ATOM 1828 C GLY B 55 7.000 -9.570 -0.051 1.00 0.00 C ATOM 1829 O GLY B 55 5.933 -9.220 0.419 1.00 0.00 O ATOM 0 H GLY B 55 4.968 -10.335 -1.391 1.00 0.00 H new ATOM 0 HA2 GLY B 55 7.534 -11.199 -1.363 1.00 0.00 H new ATOM 0 HA3 GLY B 55 7.758 -9.612 -2.072 1.00 0.00 H new ATOM 1833 N LEU B 56 8.118 -9.430 0.608 1.00 0.00 N ATOM 1834 CA LEU B 56 8.134 -8.828 1.973 1.00 0.00 C ATOM 1835 C LEU B 56 8.503 -7.346 1.874 1.00 0.00 C ATOM 1836 O LEU B 56 9.509 -6.979 1.292 1.00 0.00 O ATOM 1837 CB LEU B 56 9.162 -9.561 2.851 1.00 0.00 C ATOM 1838 CG LEU B 56 10.444 -9.889 2.045 1.00 0.00 C ATOM 1839 CD1 LEU B 56 11.674 -9.826 2.975 1.00 0.00 C ATOM 1840 CD2 LEU B 56 10.345 -11.301 1.438 1.00 0.00 C ATOM 0 H LEU B 56 9.033 -9.711 0.254 1.00 0.00 H new ATOM 0 HA LEU B 56 7.146 -8.925 2.422 1.00 0.00 H new ATOM 0 HB2 LEU B 56 9.417 -8.943 3.712 1.00 0.00 H new ATOM 0 HB3 LEU B 56 8.725 -10.482 3.238 1.00 0.00 H new ATOM 0 HG LEU B 56 10.548 -9.158 1.243 1.00 0.00 H new ATOM 0 HD11 LEU B 56 12.574 -10.057 2.405 1.00 0.00 H new ATOM 0 HD12 LEU B 56 11.760 -8.825 3.398 1.00 0.00 H new ATOM 0 HD13 LEU B 56 11.559 -10.551 3.780 1.00 0.00 H new ATOM 0 HD21 LEU B 56 11.252 -11.519 0.874 1.00 0.00 H new ATOM 0 HD22 LEU B 56 10.230 -12.033 2.237 1.00 0.00 H new ATOM 0 HD23 LEU B 56 9.483 -11.351 0.772 1.00 0.00 H new ATOM 1852 N ILE B 57 7.701 -6.493 2.439 1.00 0.00 N ATOM 1853 CA ILE B 57 7.996 -5.036 2.385 1.00 0.00 C ATOM 1854 C ILE B 57 8.974 -4.673 3.505 1.00 0.00 C ATOM 1855 O ILE B 57 8.705 -4.874 4.677 1.00 0.00 O ATOM 1856 CB ILE B 57 6.681 -4.252 2.547 1.00 0.00 C ATOM 1857 CG1 ILE B 57 5.944 -4.208 1.203 1.00 0.00 C ATOM 1858 CG2 ILE B 57 6.968 -2.819 3.013 1.00 0.00 C ATOM 1859 CD1 ILE B 57 5.823 -5.622 0.630 1.00 0.00 C ATOM 0 H ILE B 57 6.848 -6.743 2.939 1.00 0.00 H new ATOM 0 HA ILE B 57 8.449 -4.780 1.427 1.00 0.00 H new ATOM 0 HB ILE B 57 6.064 -4.752 3.294 1.00 0.00 H new ATOM 0 HG12 ILE B 57 4.953 -3.774 1.336 1.00 0.00 H new ATOM 0 HG13 ILE B 57 6.482 -3.568 0.504 1.00 0.00 H new ATOM 0 HG21 ILE B 57 6.029 -2.277 3.123 1.00 0.00 H new ATOM 0 HG22 ILE B 57 7.486 -2.845 3.972 1.00 0.00 H new ATOM 0 HG23 ILE B 57 7.593 -2.315 2.276 1.00 0.00 H new ATOM 0 HD11 ILE B 57 5.299 -5.584 -0.325 1.00 0.00 H new ATOM 0 HD12 ILE B 57 6.818 -6.041 0.481 1.00 0.00 H new ATOM 0 HD13 ILE B 57 5.266 -6.250 1.325 1.00 0.00 H new ATOM 1871 N ASP B 58 10.100 -4.128 3.141 1.00 0.00 N ATOM 1872 CA ASP B 58 11.119 -3.723 4.152 1.00 0.00 C ATOM 1873 C ASP B 58 11.133 -2.192 4.265 1.00 0.00 C ATOM 1874 O ASP B 58 11.614 -1.636 5.230 1.00 0.00 O ATOM 1875 CB ASP B 58 12.492 -4.221 3.694 1.00 0.00 C ATOM 1876 CG ASP B 58 12.417 -5.721 3.398 1.00 0.00 C ATOM 1877 OD1 ASP B 58 11.698 -6.412 4.100 1.00 0.00 O ATOM 1878 OD2 ASP B 58 13.087 -6.158 2.474 1.00 0.00 O ATOM 0 H ASP B 58 10.362 -3.943 2.173 1.00 0.00 H new ATOM 0 HA ASP B 58 10.879 -4.154 5.124 1.00 0.00 H new ATOM 0 HB2 ASP B 58 12.809 -3.679 2.803 1.00 0.00 H new ATOM 0 HB3 ASP B 58 13.237 -4.028 4.466 1.00 0.00 H new ATOM 1883 N ALA B 59 10.617 -1.496 3.281 1.00 0.00 N ATOM 1884 CA ALA B 59 10.623 0.000 3.357 1.00 0.00 C ATOM 1885 C ALA B 59 9.617 0.603 2.373 1.00 0.00 C ATOM 1886 O ALA B 59 9.340 0.051 1.321 1.00 0.00 O ATOM 1887 CB ALA B 59 12.017 0.540 3.025 1.00 0.00 C ATOM 0 H ALA B 59 10.197 -1.891 2.440 1.00 0.00 H new ATOM 0 HA ALA B 59 10.345 0.281 4.373 1.00 0.00 H new ATOM 0 HB1 ALA B 59 12.009 1.628 3.083 1.00 0.00 H new ATOM 0 HB2 ALA B 59 12.740 0.144 3.738 1.00 0.00 H new ATOM 0 HB3 ALA B 59 12.296 0.233 2.017 1.00 0.00 H new ATOM 1893 N LEU B 60 9.077 1.747 2.714 1.00 0.00 N ATOM 1894 CA LEU B 60 8.086 2.429 1.828 1.00 0.00 C ATOM 1895 C LEU B 60 8.394 3.922 1.779 1.00 0.00 C ATOM 1896 O LEU B 60 8.732 4.534 2.779 1.00 0.00 O ATOM 1897 CB LEU B 60 6.656 2.202 2.383 1.00 0.00 C ATOM 1898 CG LEU B 60 5.830 1.336 1.418 1.00 0.00 C ATOM 1899 CD1 LEU B 60 5.632 2.082 0.076 1.00 0.00 C ATOM 1900 CD2 LEU B 60 6.543 -0.016 1.190 1.00 0.00 C ATOM 0 H LEU B 60 9.284 2.243 3.581 1.00 0.00 H new ATOM 0 HA LEU B 60 8.148 2.017 0.821 1.00 0.00 H new ATOM 0 HB2 LEU B 60 6.711 1.717 3.358 1.00 0.00 H new ATOM 0 HB3 LEU B 60 6.162 3.162 2.532 1.00 0.00 H new ATOM 0 HG LEU B 60 4.849 1.144 1.853 1.00 0.00 H new ATOM 0 HD11 LEU B 60 5.046 1.462 -0.602 1.00 0.00 H new ATOM 0 HD12 LEU B 60 5.107 3.020 0.255 1.00 0.00 H new ATOM 0 HD13 LEU B 60 6.604 2.290 -0.371 1.00 0.00 H new ATOM 0 HD21 LEU B 60 5.954 -0.627 0.506 1.00 0.00 H new ATOM 0 HD22 LEU B 60 7.530 0.161 0.762 1.00 0.00 H new ATOM 0 HD23 LEU B 60 6.649 -0.537 2.142 1.00 0.00 H new ATOM 1912 N VAL B 61 8.286 4.514 0.624 1.00 0.00 N ATOM 1913 CA VAL B 61 8.561 5.973 0.505 1.00 0.00 C ATOM 1914 C VAL B 61 7.565 6.621 -0.456 1.00 0.00 C ATOM 1915 O VAL B 61 7.344 6.152 -1.557 1.00 0.00 O ATOM 1916 CB VAL B 61 9.988 6.178 -0.002 1.00 0.00 C ATOM 1917 CG1 VAL B 61 10.198 7.645 -0.382 1.00 0.00 C ATOM 1918 CG2 VAL B 61 10.966 5.795 1.106 1.00 0.00 C ATOM 0 H VAL B 61 8.019 4.051 -0.245 1.00 0.00 H new ATOM 0 HA VAL B 61 8.453 6.441 1.483 1.00 0.00 H new ATOM 0 HB VAL B 61 10.157 5.555 -0.880 1.00 0.00 H new ATOM 0 HG11 VAL B 61 11.217 7.785 -0.743 1.00 0.00 H new ATOM 0 HG12 VAL B 61 9.494 7.922 -1.167 1.00 0.00 H new ATOM 0 HG13 VAL B 61 10.033 8.275 0.492 1.00 0.00 H new ATOM 0 HG21 VAL B 61 11.988 5.938 0.755 1.00 0.00 H new ATOM 0 HG22 VAL B 61 10.791 6.424 1.979 1.00 0.00 H new ATOM 0 HG23 VAL B 61 10.818 4.750 1.377 1.00 0.00 H new ATOM 1928 N TYR B 62 6.977 7.712 -0.053 1.00 0.00 N ATOM 1929 CA TYR B 62 6.012 8.429 -0.939 1.00 0.00 C ATOM 1930 C TYR B 62 6.154 9.941 -0.669 1.00 0.00 C ATOM 1931 O TYR B 62 6.317 10.339 0.462 1.00 0.00 O ATOM 1932 CB TYR B 62 4.581 7.968 -0.621 1.00 0.00 C ATOM 1933 CG TYR B 62 3.574 8.883 -1.291 1.00 0.00 C ATOM 1934 CD1 TYR B 62 3.232 10.108 -0.700 1.00 0.00 C ATOM 1935 CD2 TYR B 62 2.972 8.503 -2.499 1.00 0.00 C ATOM 1936 CE1 TYR B 62 2.292 10.943 -1.316 1.00 0.00 C ATOM 1937 CE2 TYR B 62 2.034 9.340 -3.113 1.00 0.00 C ATOM 1938 CZ TYR B 62 1.694 10.560 -2.522 1.00 0.00 C ATOM 1939 OH TYR B 62 0.764 11.385 -3.122 1.00 0.00 O ATOM 0 H TYR B 62 7.123 8.143 0.860 1.00 0.00 H new ATOM 0 HA TYR B 62 6.219 8.214 -1.987 1.00 0.00 H new ATOM 0 HB2 TYR B 62 4.437 6.943 -0.964 1.00 0.00 H new ATOM 0 HB3 TYR B 62 4.422 7.968 0.457 1.00 0.00 H new ATOM 0 HD1 TYR B 62 3.693 10.407 0.230 1.00 0.00 H new ATOM 0 HD2 TYR B 62 3.233 7.561 -2.957 1.00 0.00 H new ATOM 0 HE1 TYR B 62 2.028 11.885 -0.859 1.00 0.00 H new ATOM 0 HE2 TYR B 62 1.573 9.043 -4.043 1.00 0.00 H new ATOM 0 HH TYR B 62 0.965 12.319 -2.902 1.00 0.00 H new ATOM 1949 N PRO B 63 6.103 10.780 -1.676 1.00 0.00 N ATOM 1950 CA PRO B 63 6.221 12.259 -1.490 1.00 0.00 C ATOM 1951 C PRO B 63 4.930 12.883 -0.934 1.00 0.00 C ATOM 1952 O PRO B 63 3.928 12.991 -1.617 1.00 0.00 O ATOM 1953 CB PRO B 63 6.517 12.770 -2.908 1.00 0.00 C ATOM 1954 CG PRO B 63 5.879 11.768 -3.821 1.00 0.00 C ATOM 1955 CD PRO B 63 5.940 10.422 -3.092 1.00 0.00 C ATOM 0 HA PRO B 63 6.989 12.524 -0.764 1.00 0.00 H new ATOM 0 HB2 PRO B 63 6.102 13.766 -3.063 1.00 0.00 H new ATOM 0 HB3 PRO B 63 7.590 12.840 -3.087 1.00 0.00 H new ATOM 0 HG2 PRO B 63 4.848 12.044 -4.042 1.00 0.00 H new ATOM 0 HG3 PRO B 63 6.407 11.719 -4.774 1.00 0.00 H new ATOM 0 HD2 PRO B 63 5.032 9.841 -3.253 1.00 0.00 H new ATOM 0 HD3 PRO B 63 6.773 9.815 -3.447 1.00 0.00 H new ATOM 1963 N LEU B 64 4.959 13.306 0.307 1.00 0.00 N ATOM 1964 CA LEU B 64 3.755 13.935 0.939 1.00 0.00 C ATOM 1965 C LEU B 64 3.920 15.455 0.930 1.00 0.00 C ATOM 1966 O LEU B 64 3.484 16.150 1.826 1.00 0.00 O ATOM 1967 CB LEU B 64 3.572 13.432 2.385 1.00 0.00 C ATOM 1968 CG LEU B 64 4.930 13.239 3.104 1.00 0.00 C ATOM 1969 CD1 LEU B 64 5.677 11.983 2.591 1.00 0.00 C ATOM 1970 CD2 LEU B 64 5.805 14.492 2.941 1.00 0.00 C ATOM 0 H LEU B 64 5.775 13.242 0.916 1.00 0.00 H new ATOM 0 HA LEU B 64 2.869 13.658 0.369 1.00 0.00 H new ATOM 0 HB2 LEU B 64 2.963 14.144 2.943 1.00 0.00 H new ATOM 0 HB3 LEU B 64 3.029 12.487 2.375 1.00 0.00 H new ATOM 0 HG LEU B 64 4.725 13.087 4.164 1.00 0.00 H new ATOM 0 HD11 LEU B 64 6.625 11.882 3.120 1.00 0.00 H new ATOM 0 HD12 LEU B 64 5.066 11.098 2.769 1.00 0.00 H new ATOM 0 HD13 LEU B 64 5.866 12.084 1.522 1.00 0.00 H new ATOM 0 HD21 LEU B 64 6.756 14.341 3.452 1.00 0.00 H new ATOM 0 HD22 LEU B 64 5.987 14.673 1.882 1.00 0.00 H new ATOM 0 HD23 LEU B 64 5.293 15.352 3.374 1.00 0.00 H new