USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 652 hydrogens (32 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 NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 88 HECFE :(H bumps) USER MOD NoAdj-H: A 88 HEC HAC : A 88 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 88 HEC HAB : A 88 HEC CAB : A 14 CYS SG :(H bumps) USER MOD Set 1.1: A 76 TYR OH : rot -90:sc= 1.02 USER MOD Set 1.2: A 80 GLN : amide:sc= -2.88! C(o=-1.9!,f=-9.5!) USER MOD Set 2.1: A 5 ASN : amide:sc= -0.4 K(o=-16,f=-21) USER MOD Set 2.2: A 8 LYS NZ :NH3+ -179:sc= -0.856 (180deg=-0.00937) USER MOD Set 2.3: A 66 THR OG1 : rot 180:sc= 0 USER MOD Set 2.4: A 69 GLN : amide:sc= -15! C(o=-16!,f=-21!) USER MOD Set 3.1: A 52 GLN :FLIP amide:sc= -1.72! C(o=-12!,f=-11!) USER MOD Set 3.2: A 53 HIS :FLIP no HE2:sc= -9.02! C(o=-14!,f=-11!) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 96:sc= 0.429 USER MOD Single : A 13 ASN :FLIP amide:sc= -2.58! C(o=-5.1!,f=-2.6!) USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -11.7! C(o=-12!,f=-11!) USER MOD Single : A 26 MET CE :methyl -141:sc= -7.62! (180deg=-14.5!) USER MOD Single : A 28 ASN :FLIP amide:sc= -0.325 F(o=-1.5,f=-0.32) USER MOD Single : A 29 LYS NZ :NH3+ -158:sc= 0.561 (180deg=0.341) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -143:sc= -3.29 (180deg=-5.38!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN :FLIP amide:sc= -1.07 F(o=-1.7!,f=-1.1) USER MOD Single : A 41 MET CE :methyl 162:sc= -0.0485 (180deg=-0.701) USER MOD Single : A 42 TYR OH : rot 180:sc= -0.0213 USER MOD Single : A 43 SER OG : rot 180:sc= -0.102 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -8.69! C(o=-8.7!,f=-13!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.236 X(o=-0.24,f=0) USER MOD Single : A 58 MET CE :methyl 155:sc= -8.65! (180deg=-11.7!) USER MOD Single : A 71 GLN :FLIP amide:sc= -0.238 F(o=-0.94,f=-0.24) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 HEC O2A : rot 147:sc= 0.098 USER MOD Single : A 88 HEC O2D : rot 165:sc= -0.222 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 32.302 9.241 -15.382 1.00 0.00 N ATOM 2 CA ALA A 1 31.575 10.405 -15.961 1.00 0.00 C ATOM 3 C ALA A 1 30.428 9.903 -16.838 1.00 0.00 C ATOM 4 O ALA A 1 29.271 10.150 -16.564 1.00 0.00 O ATOM 5 CB ALA A 1 32.535 11.235 -16.814 1.00 0.00 C ATOM 0 H1 ALA A 1 33.083 9.581 -14.785 1.00 0.00 H new ATOM 0 H2 ALA A 1 31.647 8.674 -14.806 1.00 0.00 H new ATOM 0 H3 ALA A 1 32.684 8.653 -16.150 1.00 0.00 H new ATOM 0 HA ALA A 1 31.178 11.021 -15.154 1.00 0.00 H new ATOM 0 HB1 ALA A 1 32.002 12.087 -17.237 1.00 0.00 H new ATOM 0 HB2 ALA A 1 33.356 11.593 -16.193 1.00 0.00 H new ATOM 0 HB3 ALA A 1 32.932 10.618 -17.620 1.00 0.00 H new ATOM 13 N ASP A 2 30.742 9.201 -17.891 1.00 0.00 N ATOM 14 CA ASP A 2 29.671 8.683 -18.786 1.00 0.00 C ATOM 15 C ASP A 2 29.807 7.166 -18.924 1.00 0.00 C ATOM 16 O ASP A 2 28.858 6.480 -19.250 1.00 0.00 O ATOM 17 CB ASP A 2 29.794 9.334 -20.165 1.00 0.00 C ATOM 18 CG ASP A 2 29.705 10.854 -20.019 1.00 0.00 C ATOM 19 OD1 ASP A 2 28.597 11.362 -19.970 1.00 0.00 O ATOM 20 OD2 ASP A 2 30.748 11.484 -19.959 1.00 0.00 O ATOM 0 H ASP A 2 31.694 8.964 -18.170 1.00 0.00 H new ATOM 0 HA ASP A 2 28.697 8.922 -18.358 1.00 0.00 H new ATOM 0 HB2 ASP A 2 30.742 9.057 -20.627 1.00 0.00 H new ATOM 0 HB3 ASP A 2 29.002 8.974 -20.821 1.00 0.00 H new ATOM 25 N LEU A 3 30.973 6.629 -18.675 1.00 0.00 N ATOM 26 CA LEU A 3 31.141 5.155 -18.792 1.00 0.00 C ATOM 27 C LEU A 3 30.352 4.470 -17.678 1.00 0.00 C ATOM 28 O LEU A 3 30.205 3.265 -17.662 1.00 0.00 O ATOM 29 CB LEU A 3 32.621 4.775 -18.688 1.00 0.00 C ATOM 30 CG LEU A 3 33.432 5.487 -19.782 1.00 0.00 C ATOM 31 CD1 LEU A 3 34.693 4.676 -20.073 1.00 0.00 C ATOM 32 CD2 LEU A 3 32.609 5.608 -21.069 1.00 0.00 C ATOM 0 H LEU A 3 31.808 7.145 -18.398 1.00 0.00 H new ATOM 0 HA LEU A 3 30.768 4.829 -19.763 1.00 0.00 H new ATOM 0 HB2 LEU A 3 33.005 5.048 -17.705 1.00 0.00 H new ATOM 0 HB3 LEU A 3 32.734 3.695 -18.786 1.00 0.00 H new ATOM 0 HG LEU A 3 33.693 6.486 -19.434 1.00 0.00 H new ATOM 0 HD11 LEU A 3 35.275 5.174 -20.849 1.00 0.00 H new ATOM 0 HD12 LEU A 3 35.291 4.596 -19.166 1.00 0.00 H new ATOM 0 HD13 LEU A 3 34.414 3.679 -20.413 1.00 0.00 H new ATOM 0 HD21 LEU A 3 33.200 6.115 -21.832 1.00 0.00 H new ATOM 0 HD22 LEU A 3 32.337 4.613 -21.422 1.00 0.00 H new ATOM 0 HD23 LEU A 3 31.704 6.182 -20.870 1.00 0.00 H new ATOM 44 N ALA A 4 29.811 5.230 -16.762 1.00 0.00 N ATOM 45 CA ALA A 4 29.004 4.611 -15.687 1.00 0.00 C ATOM 46 C ALA A 4 27.867 3.884 -16.382 1.00 0.00 C ATOM 47 O ALA A 4 27.363 2.876 -15.927 1.00 0.00 O ATOM 48 CB ALA A 4 28.448 5.697 -14.763 1.00 0.00 C ATOM 0 H ALA A 4 29.896 6.245 -16.717 1.00 0.00 H new ATOM 0 HA ALA A 4 29.599 3.930 -15.078 1.00 0.00 H new ATOM 0 HB1 ALA A 4 27.855 5.235 -13.974 1.00 0.00 H new ATOM 0 HB2 ALA A 4 29.273 6.254 -14.318 1.00 0.00 H new ATOM 0 HB3 ALA A 4 27.820 6.377 -15.338 1.00 0.00 H new ATOM 54 N ASN A 5 27.497 4.399 -17.517 1.00 0.00 N ATOM 55 CA ASN A 5 26.431 3.780 -18.327 1.00 0.00 C ATOM 56 C ASN A 5 26.993 2.493 -18.928 1.00 0.00 C ATOM 57 O ASN A 5 26.334 1.476 -18.994 1.00 0.00 O ATOM 58 CB ASN A 5 26.060 4.764 -19.435 1.00 0.00 C ATOM 59 CG ASN A 5 24.629 5.267 -19.229 1.00 0.00 C ATOM 60 OD1 ASN A 5 23.938 5.572 -20.181 1.00 0.00 O ATOM 61 ND2 ASN A 5 24.153 5.378 -18.019 1.00 0.00 N ATOM 0 H ASN A 5 27.902 5.243 -17.922 1.00 0.00 H new ATOM 0 HA ASN A 5 25.547 3.549 -17.733 1.00 0.00 H new ATOM 0 HB2 ASN A 5 26.754 5.605 -19.434 1.00 0.00 H new ATOM 0 HB3 ASN A 5 26.148 4.280 -20.408 1.00 0.00 H new ATOM 0 HD21 ASN A 5 23.203 5.720 -17.874 1.00 0.00 H new ATOM 0 HD22 ASN A 5 24.731 5.123 -17.218 1.00 0.00 H new ATOM 68 N GLY A 6 28.228 2.524 -19.347 1.00 0.00 N ATOM 69 CA GLY A 6 28.842 1.299 -19.919 1.00 0.00 C ATOM 70 C GLY A 6 28.541 0.126 -18.987 1.00 0.00 C ATOM 71 O GLY A 6 27.976 -0.863 -19.386 1.00 0.00 O ATOM 0 H GLY A 6 28.835 3.343 -19.317 1.00 0.00 H new ATOM 0 HA2 GLY A 6 28.443 1.104 -20.914 1.00 0.00 H new ATOM 0 HA3 GLY A 6 29.919 1.430 -20.028 1.00 0.00 H new ATOM 75 N ALA A 7 28.912 0.232 -17.743 1.00 0.00 N ATOM 76 CA ALA A 7 28.644 -0.878 -16.788 1.00 0.00 C ATOM 77 C ALA A 7 27.166 -1.247 -16.847 1.00 0.00 C ATOM 78 O ALA A 7 26.802 -2.402 -16.775 1.00 0.00 O ATOM 79 CB ALA A 7 28.993 -0.432 -15.367 1.00 0.00 C ATOM 0 H ALA A 7 29.390 1.041 -17.345 1.00 0.00 H new ATOM 0 HA ALA A 7 29.253 -1.741 -17.058 1.00 0.00 H new ATOM 0 HB1 ALA A 7 28.795 -1.247 -14.671 1.00 0.00 H new ATOM 0 HB2 ALA A 7 30.048 -0.162 -15.319 1.00 0.00 H new ATOM 0 HB3 ALA A 7 28.385 0.431 -15.097 1.00 0.00 H new ATOM 85 N LYS A 8 26.310 -0.276 -16.976 1.00 0.00 N ATOM 86 CA LYS A 8 24.858 -0.579 -17.043 1.00 0.00 C ATOM 87 C LYS A 8 24.626 -1.543 -18.200 1.00 0.00 C ATOM 88 O LYS A 8 23.850 -2.473 -18.107 1.00 0.00 O ATOM 89 CB LYS A 8 24.070 0.730 -17.250 1.00 0.00 C ATOM 90 CG LYS A 8 22.794 0.489 -18.083 1.00 0.00 C ATOM 91 CD LYS A 8 23.062 0.774 -19.571 1.00 0.00 C ATOM 92 CE LYS A 8 23.708 2.147 -19.731 1.00 0.00 C ATOM 93 NZ LYS A 8 22.890 2.973 -20.662 1.00 0.00 N ATOM 0 H LYS A 8 26.553 0.713 -17.038 1.00 0.00 H new ATOM 0 HA LYS A 8 24.514 -1.038 -16.116 1.00 0.00 H new ATOM 0 HB2 LYS A 8 23.801 1.152 -16.282 1.00 0.00 H new ATOM 0 HB3 LYS A 8 24.702 1.462 -17.752 1.00 0.00 H new ATOM 0 HG2 LYS A 8 22.460 -0.541 -17.958 1.00 0.00 H new ATOM 0 HG3 LYS A 8 21.990 1.131 -17.722 1.00 0.00 H new ATOM 0 HD2 LYS A 8 23.715 0.005 -19.985 1.00 0.00 H new ATOM 0 HD3 LYS A 8 22.128 0.735 -20.131 1.00 0.00 H new ATOM 0 HE2 LYS A 8 23.785 2.640 -18.762 1.00 0.00 H new ATOM 0 HE3 LYS A 8 24.722 2.041 -20.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 23.338 3.903 -20.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 22.824 2.495 -21.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 21.936 3.098 -20.268 1.00 0.00 H new ATOM 107 N VAL A 9 25.298 -1.327 -19.289 1.00 0.00 N ATOM 108 CA VAL A 9 25.127 -2.225 -20.454 1.00 0.00 C ATOM 109 C VAL A 9 25.960 -3.483 -20.252 1.00 0.00 C ATOM 110 O VAL A 9 25.436 -4.554 -20.061 1.00 0.00 O ATOM 111 CB VAL A 9 25.596 -1.498 -21.703 1.00 0.00 C ATOM 112 CG1 VAL A 9 25.764 -2.490 -22.857 1.00 0.00 C ATOM 113 CG2 VAL A 9 24.556 -0.455 -22.079 1.00 0.00 C ATOM 0 H VAL A 9 25.961 -0.564 -19.422 1.00 0.00 H new ATOM 0 HA VAL A 9 24.079 -2.504 -20.559 1.00 0.00 H new ATOM 0 HB VAL A 9 26.556 -1.019 -21.508 1.00 0.00 H new ATOM 0 HG11 VAL A 9 26.100 -1.959 -23.747 1.00 0.00 H new ATOM 0 HG12 VAL A 9 26.502 -3.244 -22.584 1.00 0.00 H new ATOM 0 HG13 VAL A 9 24.809 -2.974 -23.062 1.00 0.00 H new ATOM 0 HG21 VAL A 9 24.880 0.075 -22.975 1.00 0.00 H new ATOM 0 HG22 VAL A 9 23.602 -0.946 -22.273 1.00 0.00 H new ATOM 0 HG23 VAL A 9 24.439 0.254 -21.260 1.00 0.00 H new ATOM 123 N PHE A 10 27.256 -3.362 -20.308 1.00 0.00 N ATOM 124 CA PHE A 10 28.128 -4.552 -20.134 1.00 0.00 C ATOM 125 C PHE A 10 27.618 -5.454 -19.006 1.00 0.00 C ATOM 126 O PHE A 10 27.880 -6.641 -18.985 1.00 0.00 O ATOM 127 CB PHE A 10 29.547 -4.094 -19.807 1.00 0.00 C ATOM 128 CG PHE A 10 30.390 -5.320 -19.601 1.00 0.00 C ATOM 129 CD1 PHE A 10 30.296 -5.997 -18.393 1.00 0.00 C ATOM 130 CD2 PHE A 10 31.231 -5.803 -20.614 1.00 0.00 C ATOM 131 CE1 PHE A 10 31.037 -7.149 -18.181 1.00 0.00 C ATOM 132 CE2 PHE A 10 31.975 -6.968 -20.401 1.00 0.00 C ATOM 133 CZ PHE A 10 31.878 -7.642 -19.182 1.00 0.00 C ATOM 0 H PHE A 10 27.750 -2.484 -20.468 1.00 0.00 H new ATOM 0 HA PHE A 10 28.117 -5.123 -21.063 1.00 0.00 H new ATOM 0 HB2 PHE A 10 29.949 -3.486 -20.618 1.00 0.00 H new ATOM 0 HB3 PHE A 10 29.551 -3.473 -18.911 1.00 0.00 H new ATOM 0 HD1 PHE A 10 29.644 -5.625 -17.616 1.00 0.00 H new ATOM 0 HD2 PHE A 10 31.304 -5.278 -21.555 1.00 0.00 H new ATOM 0 HE1 PHE A 10 30.964 -7.668 -17.237 1.00 0.00 H new ATOM 0 HE2 PHE A 10 32.623 -7.346 -21.178 1.00 0.00 H new ATOM 0 HZ PHE A 10 32.451 -8.542 -19.013 1.00 0.00 H new ATOM 143 N SER A 11 26.902 -4.910 -18.069 1.00 0.00 N ATOM 144 CA SER A 11 26.390 -5.741 -16.941 1.00 0.00 C ATOM 145 C SER A 11 24.998 -6.263 -17.285 1.00 0.00 C ATOM 146 O SER A 11 24.153 -6.431 -16.427 1.00 0.00 O ATOM 147 CB SER A 11 26.315 -4.891 -15.670 1.00 0.00 C ATOM 148 OG SER A 11 27.629 -4.553 -15.247 1.00 0.00 O ATOM 0 H SER A 11 26.646 -3.923 -18.032 1.00 0.00 H new ATOM 0 HA SER A 11 27.064 -6.581 -16.776 1.00 0.00 H new ATOM 0 HB2 SER A 11 25.738 -3.986 -15.859 1.00 0.00 H new ATOM 0 HB3 SER A 11 25.798 -5.440 -14.883 1.00 0.00 H new ATOM 0 HG SER A 11 27.866 -3.667 -15.593 1.00 0.00 H new ATOM 154 N GLY A 12 24.754 -6.521 -18.536 1.00 0.00 N ATOM 155 CA GLY A 12 23.418 -7.032 -18.941 1.00 0.00 C ATOM 156 C GLY A 12 23.446 -7.578 -20.377 1.00 0.00 C ATOM 157 O GLY A 12 22.698 -8.473 -20.717 1.00 0.00 O ATOM 0 H GLY A 12 25.422 -6.400 -19.297 1.00 0.00 H new ATOM 0 HA2 GLY A 12 23.103 -7.819 -18.256 1.00 0.00 H new ATOM 0 HA3 GLY A 12 22.682 -6.232 -18.867 1.00 0.00 H new ATOM 161 N ASN A 13 24.290 -7.051 -21.223 1.00 0.00 N ATOM 162 CA ASN A 13 24.344 -7.546 -22.628 1.00 0.00 C ATOM 163 C ASN A 13 25.720 -8.153 -22.880 1.00 0.00 C ATOM 164 O ASN A 13 25.853 -9.250 -23.385 1.00 0.00 O ATOM 165 CB ASN A 13 24.129 -6.369 -23.581 1.00 0.00 C ATOM 166 CG ASN A 13 23.088 -5.420 -22.985 1.00 0.00 C ATOM 167 OD1 ASN A 13 23.483 -4.447 -22.210 1.00 0.00 O flip ATOM 168 ND2 ASN A 13 21.906 -5.567 -23.223 1.00 0.00 N flip ATOM 0 H ASN A 13 24.944 -6.300 -21.002 1.00 0.00 H new ATOM 0 HA ASN A 13 23.570 -8.296 -22.792 1.00 0.00 H new ATOM 0 HB2 ASN A 13 25.069 -5.841 -23.743 1.00 0.00 H new ATOM 0 HB3 ASN A 13 23.794 -6.730 -24.554 1.00 0.00 H new ATOM 0 HD21 ASN A 13 21.599 -6.328 -23.829 1.00 0.00 H new ATOM 0 HD22 ASN A 13 21.221 -4.930 -22.817 1.00 0.00 H new ATOM 175 N CYS A 14 26.740 -7.436 -22.520 1.00 0.00 N ATOM 176 CA CYS A 14 28.124 -7.938 -22.713 1.00 0.00 C ATOM 177 C CYS A 14 28.432 -8.963 -21.621 1.00 0.00 C ATOM 178 O CYS A 14 29.236 -9.857 -21.795 1.00 0.00 O ATOM 179 CB CYS A 14 29.084 -6.754 -22.602 1.00 0.00 C ATOM 180 SG CYS A 14 28.372 -5.314 -23.452 1.00 0.00 S ATOM 0 H CYS A 14 26.674 -6.511 -22.095 1.00 0.00 H new ATOM 0 HA CYS A 14 28.233 -8.409 -23.690 1.00 0.00 H new ATOM 0 HB2 CYS A 14 29.267 -6.517 -21.554 1.00 0.00 H new ATOM 0 HB3 CYS A 14 30.047 -7.011 -23.043 1.00 0.00 H new ATOM 185 N ALA A 15 27.790 -8.832 -20.493 1.00 0.00 N ATOM 186 CA ALA A 15 28.024 -9.783 -19.370 1.00 0.00 C ATOM 187 C ALA A 15 27.820 -11.226 -19.848 1.00 0.00 C ATOM 188 O ALA A 15 28.439 -12.147 -19.353 1.00 0.00 O ATOM 189 CB ALA A 15 27.038 -9.481 -18.240 1.00 0.00 C ATOM 0 H ALA A 15 27.107 -8.100 -20.300 1.00 0.00 H new ATOM 0 HA ALA A 15 29.047 -9.668 -19.012 1.00 0.00 H new ATOM 0 HB1 ALA A 15 27.205 -10.175 -17.416 1.00 0.00 H new ATOM 0 HB2 ALA A 15 27.187 -8.459 -17.890 1.00 0.00 H new ATOM 0 HB3 ALA A 15 26.018 -9.594 -18.607 1.00 0.00 H new ATOM 195 N ALA A 16 26.944 -11.430 -20.793 1.00 0.00 N ATOM 196 CA ALA A 16 26.681 -12.815 -21.288 1.00 0.00 C ATOM 197 C ALA A 16 27.968 -13.466 -21.808 1.00 0.00 C ATOM 198 O ALA A 16 28.247 -14.613 -21.521 1.00 0.00 O ATOM 199 CB ALA A 16 25.653 -12.759 -22.420 1.00 0.00 C ATOM 0 H ALA A 16 26.397 -10.698 -21.246 1.00 0.00 H new ATOM 0 HA ALA A 16 26.300 -13.412 -20.459 1.00 0.00 H new ATOM 0 HB1 ALA A 16 25.458 -13.768 -22.785 1.00 0.00 H new ATOM 0 HB2 ALA A 16 24.726 -12.322 -22.049 1.00 0.00 H new ATOM 0 HB3 ALA A 16 26.042 -12.148 -23.234 1.00 0.00 H new ATOM 205 N CYS A 17 28.745 -12.759 -22.583 1.00 0.00 N ATOM 206 CA CYS A 17 29.997 -13.363 -23.129 1.00 0.00 C ATOM 207 C CYS A 17 31.211 -12.715 -22.504 1.00 0.00 C ATOM 208 O CYS A 17 32.270 -12.664 -23.098 1.00 0.00 O ATOM 209 CB CYS A 17 30.059 -13.125 -24.623 1.00 0.00 C ATOM 210 SG CYS A 17 29.318 -14.548 -25.490 1.00 0.00 S ATOM 0 H CYS A 17 28.569 -11.794 -22.861 1.00 0.00 H new ATOM 0 HA CYS A 17 29.991 -14.430 -22.905 1.00 0.00 H new ATOM 0 HB2 CYS A 17 29.525 -12.210 -24.880 1.00 0.00 H new ATOM 0 HB3 CYS A 17 31.093 -12.990 -24.939 1.00 0.00 H new ATOM 215 N HIS A 18 31.078 -12.199 -21.331 1.00 0.00 N ATOM 216 CA HIS A 18 32.237 -11.531 -20.713 1.00 0.00 C ATOM 217 C HIS A 18 32.062 -11.516 -19.197 1.00 0.00 C ATOM 218 O HIS A 18 32.687 -12.269 -18.480 1.00 0.00 O ATOM 219 CB HIS A 18 32.290 -10.109 -21.270 1.00 0.00 C ATOM 220 CG HIS A 18 32.545 -10.160 -22.738 1.00 0.00 C ATOM 221 ND1 HIS A 18 33.812 -10.362 -23.231 1.00 0.00 N ATOM 222 CD2 HIS A 18 31.725 -10.050 -23.828 1.00 0.00 C ATOM 223 CE1 HIS A 18 33.729 -10.378 -24.564 1.00 0.00 C ATOM 224 NE2 HIS A 18 32.480 -10.193 -24.987 1.00 0.00 N ATOM 0 H HIS A 18 30.223 -12.209 -20.774 1.00 0.00 H new ATOM 0 HA HIS A 18 33.167 -12.054 -20.938 1.00 0.00 H new ATOM 0 HB2 HIS A 18 31.350 -9.594 -21.071 1.00 0.00 H new ATOM 0 HB3 HIS A 18 33.077 -9.541 -20.773 1.00 0.00 H new ATOM 0 HD1 HIS A 18 34.662 -10.479 -22.679 1.00 0.00 H new ATOM 0 HD2 HIS A 18 30.659 -9.879 -23.794 1.00 0.00 H new ATOM 0 HE1 HIS A 18 34.574 -10.524 -25.220 1.00 0.00 H new ATOM 232 N MET A 19 31.200 -10.674 -18.719 1.00 0.00 N ATOM 233 CA MET A 19 30.938 -10.593 -17.250 1.00 0.00 C ATOM 234 C MET A 19 32.249 -10.574 -16.456 1.00 0.00 C ATOM 235 O MET A 19 32.911 -11.581 -16.303 1.00 0.00 O ATOM 236 CB MET A 19 30.111 -11.794 -16.818 1.00 0.00 C ATOM 237 CG MET A 19 28.825 -11.313 -16.145 1.00 0.00 C ATOM 238 SD MET A 19 27.564 -12.606 -16.264 1.00 0.00 S ATOM 239 CE MET A 19 27.342 -12.873 -14.487 1.00 0.00 C ATOM 0 H MET A 19 30.654 -10.026 -19.286 1.00 0.00 H new ATOM 0 HA MET A 19 30.397 -9.669 -17.049 1.00 0.00 H new ATOM 0 HB2 MET A 19 29.872 -12.414 -17.682 1.00 0.00 H new ATOM 0 HB3 MET A 19 30.684 -12.415 -16.129 1.00 0.00 H new ATOM 0 HG2 MET A 19 29.017 -11.072 -15.099 1.00 0.00 H new ATOM 0 HG3 MET A 19 28.471 -10.399 -16.623 1.00 0.00 H new ATOM 0 HE1 MET A 19 26.592 -13.647 -14.326 1.00 0.00 H new ATOM 0 HE2 MET A 19 28.288 -13.187 -14.045 1.00 0.00 H new ATOM 0 HE3 MET A 19 27.013 -11.946 -14.018 1.00 0.00 H new ATOM 249 N GLY A 20 32.619 -9.438 -15.930 1.00 0.00 N ATOM 250 CA GLY A 20 33.876 -9.360 -15.131 1.00 0.00 C ATOM 251 C GLY A 20 35.084 -9.316 -16.067 1.00 0.00 C ATOM 252 O GLY A 20 36.087 -9.960 -15.830 1.00 0.00 O ATOM 0 H GLY A 20 32.106 -8.561 -16.019 1.00 0.00 H new ATOM 0 HA2 GLY A 20 33.861 -8.472 -14.499 1.00 0.00 H new ATOM 0 HA3 GLY A 20 33.950 -10.222 -14.468 1.00 0.00 H new ATOM 256 N GLY A 21 34.998 -8.559 -17.127 1.00 0.00 N ATOM 257 CA GLY A 21 36.139 -8.470 -18.077 1.00 0.00 C ATOM 258 C GLY A 21 36.727 -9.864 -18.300 1.00 0.00 C ATOM 259 O GLY A 21 37.924 -10.032 -18.426 1.00 0.00 O ATOM 0 H GLY A 21 34.183 -7.997 -17.375 1.00 0.00 H new ATOM 0 HA2 GLY A 21 35.805 -8.049 -19.025 1.00 0.00 H new ATOM 0 HA3 GLY A 21 36.903 -7.800 -17.682 1.00 0.00 H new ATOM 263 N GLY A 22 35.893 -10.868 -18.344 1.00 0.00 N ATOM 264 CA GLY A 22 36.404 -12.251 -18.554 1.00 0.00 C ATOM 265 C GLY A 22 35.634 -12.915 -19.697 1.00 0.00 C ATOM 266 O GLY A 22 34.614 -13.542 -19.493 1.00 0.00 O ATOM 0 H GLY A 22 34.881 -10.789 -18.244 1.00 0.00 H new ATOM 0 HA2 GLY A 22 37.469 -12.225 -18.786 1.00 0.00 H new ATOM 0 HA3 GLY A 22 36.292 -12.834 -17.640 1.00 0.00 H new ATOM 270 N ASN A 23 36.119 -12.781 -20.899 1.00 0.00 N ATOM 271 CA ASN A 23 35.425 -13.403 -22.061 1.00 0.00 C ATOM 272 C ASN A 23 35.117 -14.872 -21.746 1.00 0.00 C ATOM 273 O ASN A 23 35.596 -15.418 -20.772 1.00 0.00 O ATOM 274 CB ASN A 23 36.338 -13.314 -23.283 1.00 0.00 C ATOM 275 CG ASN A 23 35.525 -12.868 -24.499 1.00 0.00 C ATOM 276 OD1 ASN A 23 34.317 -12.984 -24.512 1.00 0.00 O ATOM 277 ND2 ASN A 23 36.144 -12.359 -25.527 1.00 0.00 N ATOM 0 H ASN A 23 36.969 -12.266 -21.128 1.00 0.00 H new ATOM 0 HA ASN A 23 34.490 -12.880 -22.262 1.00 0.00 H new ATOM 0 HB2 ASN A 23 37.147 -12.608 -23.095 1.00 0.00 H new ATOM 0 HB3 ASN A 23 36.799 -14.283 -23.476 1.00 0.00 H new ATOM 0 HD21 ASN A 23 35.613 -12.057 -26.344 1.00 0.00 H new ATOM 0 HD22 ASN A 23 37.159 -12.262 -25.514 1.00 0.00 H new ATOM 284 N VAL A 24 34.318 -15.518 -22.557 1.00 0.00 N ATOM 285 CA VAL A 24 33.987 -16.948 -22.284 1.00 0.00 C ATOM 286 C VAL A 24 33.862 -17.725 -23.596 1.00 0.00 C ATOM 287 O VAL A 24 34.677 -18.571 -23.905 1.00 0.00 O ATOM 288 CB VAL A 24 32.662 -17.033 -21.518 1.00 0.00 C ATOM 289 CG1 VAL A 24 32.931 -16.885 -20.020 1.00 0.00 C ATOM 290 CG2 VAL A 24 31.724 -15.916 -21.980 1.00 0.00 C ATOM 0 H VAL A 24 33.884 -15.120 -23.390 1.00 0.00 H new ATOM 0 HA VAL A 24 34.788 -17.384 -21.686 1.00 0.00 H new ATOM 0 HB VAL A 24 32.195 -17.998 -21.713 1.00 0.00 H new ATOM 0 HG11 VAL A 24 31.990 -16.945 -19.474 1.00 0.00 H new ATOM 0 HG12 VAL A 24 33.595 -17.684 -19.689 1.00 0.00 H new ATOM 0 HG13 VAL A 24 33.401 -15.920 -19.828 1.00 0.00 H new ATOM 0 HG21 VAL A 24 30.784 -15.981 -21.433 1.00 0.00 H new ATOM 0 HG22 VAL A 24 32.189 -14.949 -21.790 1.00 0.00 H new ATOM 0 HG23 VAL A 24 31.530 -16.022 -23.047 1.00 0.00 H new ATOM 300 N VAL A 25 32.843 -17.463 -24.362 1.00 0.00 N ATOM 301 CA VAL A 25 32.668 -18.201 -25.639 1.00 0.00 C ATOM 302 C VAL A 25 34.013 -18.294 -26.376 1.00 0.00 C ATOM 303 O VAL A 25 34.345 -19.317 -26.942 1.00 0.00 O ATOM 304 CB VAL A 25 31.625 -17.481 -26.503 1.00 0.00 C ATOM 305 CG1 VAL A 25 31.824 -15.965 -26.414 1.00 0.00 C ATOM 306 CG2 VAL A 25 31.763 -17.933 -27.957 1.00 0.00 C ATOM 0 H VAL A 25 32.124 -16.769 -24.158 1.00 0.00 H new ATOM 0 HA VAL A 25 32.318 -19.213 -25.434 1.00 0.00 H new ATOM 0 HB VAL A 25 30.628 -17.730 -26.138 1.00 0.00 H new ATOM 0 HG11 VAL A 25 31.079 -15.463 -27.031 1.00 0.00 H new ATOM 0 HG12 VAL A 25 31.714 -15.644 -25.378 1.00 0.00 H new ATOM 0 HG13 VAL A 25 32.822 -15.708 -26.769 1.00 0.00 H new ATOM 0 HG21 VAL A 25 31.021 -17.420 -28.569 1.00 0.00 H new ATOM 0 HG22 VAL A 25 32.762 -17.692 -28.320 1.00 0.00 H new ATOM 0 HG23 VAL A 25 31.604 -19.010 -28.020 1.00 0.00 H new ATOM 316 N MET A 26 34.789 -17.243 -26.379 1.00 0.00 N ATOM 317 CA MET A 26 36.105 -17.295 -27.086 1.00 0.00 C ATOM 318 C MET A 26 36.940 -18.455 -26.535 1.00 0.00 C ATOM 319 O MET A 26 36.447 -19.297 -25.810 1.00 0.00 O ATOM 320 CB MET A 26 36.867 -15.978 -26.879 1.00 0.00 C ATOM 321 CG MET A 26 36.523 -15.370 -25.515 1.00 0.00 C ATOM 322 SD MET A 26 36.590 -16.645 -24.229 1.00 0.00 S ATOM 323 CE MET A 26 38.255 -16.274 -23.621 1.00 0.00 C ATOM 0 H MET A 26 34.572 -16.355 -25.926 1.00 0.00 H new ATOM 0 HA MET A 26 35.928 -17.444 -28.151 1.00 0.00 H new ATOM 0 HB2 MET A 26 37.940 -16.157 -26.944 1.00 0.00 H new ATOM 0 HB3 MET A 26 36.613 -15.275 -27.672 1.00 0.00 H new ATOM 0 HG2 MET A 26 37.222 -14.568 -25.279 1.00 0.00 H new ATOM 0 HG3 MET A 26 35.528 -14.926 -25.547 1.00 0.00 H new ATOM 0 HE1 MET A 26 38.773 -17.204 -23.389 1.00 0.00 H new ATOM 0 HE2 MET A 26 38.809 -15.731 -24.387 1.00 0.00 H new ATOM 0 HE3 MET A 26 38.186 -15.663 -22.721 1.00 0.00 H new ATOM 333 N ALA A 27 38.202 -18.504 -26.870 1.00 0.00 N ATOM 334 CA ALA A 27 39.065 -19.605 -26.361 1.00 0.00 C ATOM 335 C ALA A 27 40.240 -19.012 -25.577 1.00 0.00 C ATOM 336 O ALA A 27 41.116 -19.724 -25.126 1.00 0.00 O ATOM 337 CB ALA A 27 39.596 -20.424 -27.540 1.00 0.00 C ATOM 0 H ALA A 27 38.671 -17.829 -27.474 1.00 0.00 H new ATOM 0 HA ALA A 27 38.482 -20.251 -25.705 1.00 0.00 H new ATOM 0 HB1 ALA A 27 40.228 -21.230 -27.168 1.00 0.00 H new ATOM 0 HB2 ALA A 27 38.759 -20.846 -28.096 1.00 0.00 H new ATOM 0 HB3 ALA A 27 40.180 -19.779 -28.197 1.00 0.00 H new ATOM 343 N ASN A 28 40.264 -17.715 -25.402 1.00 0.00 N ATOM 344 CA ASN A 28 41.378 -17.085 -24.643 1.00 0.00 C ATOM 345 C ASN A 28 41.199 -15.561 -24.619 1.00 0.00 C ATOM 346 O ASN A 28 41.586 -14.897 -23.678 1.00 0.00 O ATOM 347 CB ASN A 28 42.715 -17.429 -25.308 1.00 0.00 C ATOM 348 CG ASN A 28 42.887 -16.601 -26.584 1.00 0.00 C ATOM 349 OD1 ASN A 28 42.008 -16.708 -27.541 1.00 0.00 O flip ATOM 350 ND2 ASN A 28 43.832 -15.846 -26.709 1.00 0.00 N flip ATOM 0 H ASN A 28 39.558 -17.068 -25.753 1.00 0.00 H new ATOM 0 HA ASN A 28 41.370 -17.465 -23.621 1.00 0.00 H new ATOM 0 HB2 ASN A 28 43.536 -17.229 -24.620 1.00 0.00 H new ATOM 0 HB3 ASN A 28 42.751 -18.492 -25.546 1.00 0.00 H new ATOM 0 HD21 ASN A 28 44.520 -15.762 -25.961 1.00 0.00 H new ATOM 0 HD22 ASN A 28 43.937 -15.297 -27.562 1.00 0.00 H new ATOM 357 N LYS A 29 40.627 -15.003 -25.651 1.00 0.00 N ATOM 358 CA LYS A 29 40.437 -13.523 -25.694 1.00 0.00 C ATOM 359 C LYS A 29 39.746 -13.039 -24.414 1.00 0.00 C ATOM 360 O LYS A 29 38.811 -13.646 -23.930 1.00 0.00 O ATOM 361 CB LYS A 29 39.580 -13.158 -26.906 1.00 0.00 C ATOM 362 CG LYS A 29 40.323 -12.128 -27.758 1.00 0.00 C ATOM 363 CD LYS A 29 39.973 -12.337 -29.232 1.00 0.00 C ATOM 364 CE LYS A 29 40.900 -13.397 -29.828 1.00 0.00 C ATOM 365 NZ LYS A 29 41.830 -12.756 -30.800 1.00 0.00 N ATOM 0 H LYS A 29 40.282 -15.508 -26.468 1.00 0.00 H new ATOM 0 HA LYS A 29 41.412 -13.041 -25.772 1.00 0.00 H new ATOM 0 HB2 LYS A 29 39.366 -14.049 -27.496 1.00 0.00 H new ATOM 0 HB3 LYS A 29 38.622 -12.754 -26.580 1.00 0.00 H new ATOM 0 HG2 LYS A 29 40.050 -11.119 -27.448 1.00 0.00 H new ATOM 0 HG3 LYS A 29 41.399 -12.227 -27.611 1.00 0.00 H new ATOM 0 HD2 LYS A 29 38.934 -12.650 -29.330 1.00 0.00 H new ATOM 0 HD3 LYS A 29 40.076 -11.399 -29.778 1.00 0.00 H new ATOM 0 HE2 LYS A 29 41.466 -13.887 -29.036 1.00 0.00 H new ATOM 0 HE3 LYS A 29 40.314 -14.170 -30.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 42.188 -13.473 -31.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 41.324 -12.018 -31.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 42.628 -12.329 -30.287 1.00 0.00 H new ATOM 379 N THR A 30 40.204 -11.943 -23.866 1.00 0.00 N ATOM 380 CA THR A 30 39.587 -11.405 -22.624 1.00 0.00 C ATOM 381 C THR A 30 39.133 -9.961 -22.871 1.00 0.00 C ATOM 382 O THR A 30 39.303 -9.427 -23.949 1.00 0.00 O ATOM 383 CB THR A 30 40.633 -11.427 -21.509 1.00 0.00 C ATOM 384 OG1 THR A 30 41.363 -12.646 -21.572 1.00 0.00 O ATOM 385 CG2 THR A 30 39.946 -11.311 -20.147 1.00 0.00 C ATOM 0 H THR A 30 40.984 -11.396 -24.231 1.00 0.00 H new ATOM 0 HA THR A 30 38.727 -12.011 -22.338 1.00 0.00 H new ATOM 0 HB THR A 30 41.313 -10.585 -21.637 1.00 0.00 H new ATOM 0 HG1 THR A 30 42.035 -12.662 -20.859 1.00 0.00 H new ATOM 0 HG21 THR A 30 40.698 -11.327 -19.358 1.00 0.00 H new ATOM 0 HG22 THR A 30 39.390 -10.375 -20.099 1.00 0.00 H new ATOM 0 HG23 THR A 30 39.261 -12.148 -20.013 1.00 0.00 H new ATOM 393 N LEU A 31 38.562 -9.320 -21.885 1.00 0.00 N ATOM 394 CA LEU A 31 38.107 -7.909 -22.071 1.00 0.00 C ATOM 395 C LEU A 31 39.131 -6.968 -21.452 1.00 0.00 C ATOM 396 O LEU A 31 39.130 -5.780 -21.709 1.00 0.00 O ATOM 397 CB LEU A 31 36.751 -7.699 -21.370 1.00 0.00 C ATOM 398 CG LEU A 31 35.555 -7.823 -22.349 1.00 0.00 C ATOM 399 CD1 LEU A 31 34.910 -6.452 -22.531 1.00 0.00 C ATOM 400 CD2 LEU A 31 35.981 -8.350 -23.727 1.00 0.00 C ATOM 0 H LEU A 31 38.391 -9.712 -20.959 1.00 0.00 H new ATOM 0 HA LEU A 31 38.002 -7.704 -23.136 1.00 0.00 H new ATOM 0 HB2 LEU A 31 36.641 -8.432 -20.571 1.00 0.00 H new ATOM 0 HB3 LEU A 31 36.735 -6.714 -20.903 1.00 0.00 H new ATOM 0 HG LEU A 31 34.853 -8.536 -21.917 1.00 0.00 H new ATOM 0 HD11 LEU A 31 34.068 -6.534 -23.219 1.00 0.00 H new ATOM 0 HD12 LEU A 31 34.557 -6.085 -21.567 1.00 0.00 H new ATOM 0 HD13 LEU A 31 35.644 -5.756 -22.937 1.00 0.00 H new ATOM 0 HD21 LEU A 31 35.108 -8.419 -24.376 1.00 0.00 H new ATOM 0 HD22 LEU A 31 36.708 -7.669 -24.168 1.00 0.00 H new ATOM 0 HD23 LEU A 31 36.429 -9.337 -23.616 1.00 0.00 H new ATOM 412 N LYS A 32 39.998 -7.483 -20.634 1.00 0.00 N ATOM 413 CA LYS A 32 41.008 -6.608 -19.994 1.00 0.00 C ATOM 414 C LYS A 32 41.810 -5.865 -21.068 1.00 0.00 C ATOM 415 O LYS A 32 41.431 -4.800 -21.511 1.00 0.00 O ATOM 416 CB LYS A 32 41.951 -7.454 -19.135 1.00 0.00 C ATOM 417 CG LYS A 32 41.160 -8.084 -17.986 1.00 0.00 C ATOM 418 CD LYS A 32 41.795 -9.424 -17.604 1.00 0.00 C ATOM 419 CE LYS A 32 43.200 -9.183 -17.050 1.00 0.00 C ATOM 420 NZ LYS A 32 44.174 -9.139 -18.176 1.00 0.00 N ATOM 0 H LYS A 32 40.051 -8.470 -20.382 1.00 0.00 H new ATOM 0 HA LYS A 32 40.501 -5.879 -19.361 1.00 0.00 H new ATOM 0 HB2 LYS A 32 42.415 -8.232 -19.742 1.00 0.00 H new ATOM 0 HB3 LYS A 32 42.756 -6.834 -18.741 1.00 0.00 H new ATOM 0 HG2 LYS A 32 41.152 -7.415 -17.126 1.00 0.00 H new ATOM 0 HG3 LYS A 32 40.122 -8.233 -18.283 1.00 0.00 H new ATOM 0 HD2 LYS A 32 41.181 -9.930 -16.859 1.00 0.00 H new ATOM 0 HD3 LYS A 32 41.843 -10.077 -18.475 1.00 0.00 H new ATOM 0 HE2 LYS A 32 43.228 -8.246 -16.494 1.00 0.00 H new ATOM 0 HE3 LYS A 32 43.469 -9.976 -16.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 45.065 -9.589 -17.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 43.782 -9.648 -18.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 44.356 -8.149 -18.439 1.00 0.00 H new ATOM 434 N LYS A 33 42.918 -6.410 -21.488 1.00 0.00 N ATOM 435 CA LYS A 33 43.735 -5.718 -22.525 1.00 0.00 C ATOM 436 C LYS A 33 44.969 -6.554 -22.861 1.00 0.00 C ATOM 437 O LYS A 33 45.468 -6.538 -23.970 1.00 0.00 O ATOM 438 CB LYS A 33 44.197 -4.370 -21.982 1.00 0.00 C ATOM 439 CG LYS A 33 44.791 -4.558 -20.588 1.00 0.00 C ATOM 440 CD LYS A 33 45.767 -3.417 -20.295 1.00 0.00 C ATOM 441 CE LYS A 33 46.922 -3.941 -19.440 1.00 0.00 C ATOM 442 NZ LYS A 33 46.456 -4.132 -18.038 1.00 0.00 N ATOM 0 H LYS A 33 43.292 -7.300 -21.160 1.00 0.00 H new ATOM 0 HA LYS A 33 43.129 -5.581 -23.421 1.00 0.00 H new ATOM 0 HB2 LYS A 33 44.940 -3.933 -22.649 1.00 0.00 H new ATOM 0 HB3 LYS A 33 43.358 -3.676 -21.940 1.00 0.00 H new ATOM 0 HG2 LYS A 33 43.997 -4.573 -19.841 1.00 0.00 H new ATOM 0 HG3 LYS A 33 45.306 -5.517 -20.526 1.00 0.00 H new ATOM 0 HD2 LYS A 33 46.150 -3.003 -21.228 1.00 0.00 H new ATOM 0 HD3 LYS A 33 45.253 -2.609 -19.775 1.00 0.00 H new ATOM 0 HE2 LYS A 33 47.289 -4.885 -19.844 1.00 0.00 H new ATOM 0 HE3 LYS A 33 47.755 -3.238 -19.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 47.241 -4.488 -17.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 46.126 -3.223 -17.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 45.675 -4.818 -18.022 1.00 0.00 H new ATOM 456 N GLU A 34 45.470 -7.266 -21.899 1.00 0.00 N ATOM 457 CA GLU A 34 46.680 -8.094 -22.121 1.00 0.00 C ATOM 458 C GLU A 34 46.529 -8.900 -23.406 1.00 0.00 C ATOM 459 O GLU A 34 47.484 -9.117 -24.116 1.00 0.00 O ATOM 460 CB GLU A 34 46.862 -9.051 -20.940 1.00 0.00 C ATOM 461 CG GLU A 34 45.656 -9.989 -20.855 1.00 0.00 C ATOM 462 CD GLU A 34 45.842 -10.958 -19.685 1.00 0.00 C ATOM 463 OE1 GLU A 34 46.900 -10.925 -19.077 1.00 0.00 O ATOM 464 OE2 GLU A 34 44.923 -11.714 -19.415 1.00 0.00 O ATOM 0 H GLU A 34 45.087 -7.310 -20.955 1.00 0.00 H new ATOM 0 HA GLU A 34 47.550 -7.443 -22.206 1.00 0.00 H new ATOM 0 HB2 GLU A 34 47.778 -9.629 -21.064 1.00 0.00 H new ATOM 0 HB3 GLU A 34 46.964 -8.487 -20.013 1.00 0.00 H new ATOM 0 HG2 GLU A 34 44.742 -9.411 -20.720 1.00 0.00 H new ATOM 0 HG3 GLU A 34 45.548 -10.544 -21.787 1.00 0.00 H new ATOM 471 N ALA A 35 45.343 -9.370 -23.686 1.00 0.00 N ATOM 472 CA ALA A 35 45.123 -10.197 -24.910 1.00 0.00 C ATOM 473 C ALA A 35 44.331 -9.423 -25.964 1.00 0.00 C ATOM 474 O ALA A 35 44.800 -9.211 -27.064 1.00 0.00 O ATOM 475 CB ALA A 35 44.347 -11.458 -24.527 1.00 0.00 C ATOM 0 H ALA A 35 44.511 -9.216 -23.116 1.00 0.00 H new ATOM 0 HA ALA A 35 46.094 -10.457 -25.331 1.00 0.00 H new ATOM 0 HB1 ALA A 35 44.182 -12.068 -25.415 1.00 0.00 H new ATOM 0 HB2 ALA A 35 44.919 -12.029 -23.796 1.00 0.00 H new ATOM 0 HB3 ALA A 35 43.386 -11.177 -24.096 1.00 0.00 H new ATOM 481 N LEU A 36 43.125 -9.024 -25.650 1.00 0.00 N ATOM 482 CA LEU A 36 42.301 -8.282 -26.649 1.00 0.00 C ATOM 483 C LEU A 36 43.194 -7.291 -27.394 1.00 0.00 C ATOM 484 O LEU A 36 43.007 -7.036 -28.567 1.00 0.00 O ATOM 485 CB LEU A 36 41.149 -7.548 -25.951 1.00 0.00 C ATOM 486 CG LEU A 36 41.672 -6.796 -24.730 1.00 0.00 C ATOM 487 CD1 LEU A 36 40.774 -5.592 -24.448 1.00 0.00 C ATOM 488 CD2 LEU A 36 41.655 -7.712 -23.511 1.00 0.00 C ATOM 0 H LEU A 36 42.677 -9.180 -24.747 1.00 0.00 H new ATOM 0 HA LEU A 36 41.870 -8.986 -27.361 1.00 0.00 H new ATOM 0 HB2 LEU A 36 40.679 -6.850 -26.644 1.00 0.00 H new ATOM 0 HB3 LEU A 36 40.383 -8.262 -25.648 1.00 0.00 H new ATOM 0 HG LEU A 36 42.691 -6.465 -24.929 1.00 0.00 H new ATOM 0 HD11 LEU A 36 41.148 -5.055 -23.576 1.00 0.00 H new ATOM 0 HD12 LEU A 36 40.775 -4.927 -25.312 1.00 0.00 H new ATOM 0 HD13 LEU A 36 39.757 -5.934 -24.255 1.00 0.00 H new ATOM 0 HD21 LEU A 36 42.029 -7.169 -22.643 1.00 0.00 H new ATOM 0 HD22 LEU A 36 40.635 -8.044 -23.319 1.00 0.00 H new ATOM 0 HD23 LEU A 36 42.289 -8.579 -23.698 1.00 0.00 H new ATOM 500 N GLU A 37 44.191 -6.752 -26.738 1.00 0.00 N ATOM 501 CA GLU A 37 45.098 -5.820 -27.439 1.00 0.00 C ATOM 502 C GLU A 37 46.287 -6.611 -27.981 1.00 0.00 C ATOM 503 O GLU A 37 46.802 -6.318 -29.042 1.00 0.00 O ATOM 504 CB GLU A 37 45.583 -4.718 -26.507 1.00 0.00 C ATOM 505 CG GLU A 37 45.701 -3.431 -27.323 1.00 0.00 C ATOM 506 CD GLU A 37 47.174 -3.039 -27.454 1.00 0.00 C ATOM 507 OE1 GLU A 37 47.989 -3.928 -27.636 1.00 0.00 O ATOM 508 OE2 GLU A 37 47.462 -1.857 -27.370 1.00 0.00 O ATOM 0 H GLU A 37 44.408 -6.921 -25.756 1.00 0.00 H new ATOM 0 HA GLU A 37 44.558 -5.345 -28.258 1.00 0.00 H new ATOM 0 HB2 GLU A 37 44.886 -4.583 -25.680 1.00 0.00 H new ATOM 0 HB3 GLU A 37 46.546 -4.983 -26.071 1.00 0.00 H new ATOM 0 HG2 GLU A 37 45.263 -3.574 -28.311 1.00 0.00 H new ATOM 0 HG3 GLU A 37 45.143 -2.629 -26.839 1.00 0.00 H new ATOM 515 N GLN A 38 46.700 -7.641 -27.278 1.00 0.00 N ATOM 516 CA GLN A 38 47.808 -8.492 -27.754 1.00 0.00 C ATOM 517 C GLN A 38 47.641 -8.698 -29.251 1.00 0.00 C ATOM 518 O GLN A 38 48.588 -8.791 -30.007 1.00 0.00 O ATOM 519 CB GLN A 38 47.656 -9.815 -27.039 1.00 0.00 C ATOM 520 CG GLN A 38 48.890 -10.655 -27.212 1.00 0.00 C ATOM 521 CD GLN A 38 50.139 -9.813 -26.938 1.00 0.00 C ATOM 522 OE1 GLN A 38 50.656 -9.100 -27.900 1.00 0.00 O flip ATOM 523 NE2 GLN A 38 50.649 -9.802 -25.835 1.00 0.00 N flip ATOM 0 H GLN A 38 46.301 -7.922 -26.382 1.00 0.00 H new ATOM 0 HA GLN A 38 48.786 -8.050 -27.562 1.00 0.00 H new ATOM 0 HB2 GLN A 38 47.473 -9.642 -25.978 1.00 0.00 H new ATOM 0 HB3 GLN A 38 46.789 -10.348 -27.429 1.00 0.00 H new ATOM 0 HG2 GLN A 38 48.859 -11.506 -26.532 1.00 0.00 H new ATOM 0 HG3 GLN A 38 48.927 -11.057 -28.224 1.00 0.00 H new ATOM 0 HE21 GLN A 38 50.246 -10.359 -25.081 1.00 0.00 H new ATOM 0 HE22 GLN A 38 51.480 -9.236 -25.663 1.00 0.00 H new ATOM 532 N PHE A 39 46.418 -8.711 -29.671 1.00 0.00 N ATOM 533 CA PHE A 39 46.111 -8.844 -31.108 1.00 0.00 C ATOM 534 C PHE A 39 46.169 -7.457 -31.738 1.00 0.00 C ATOM 535 O PHE A 39 46.834 -7.239 -32.731 1.00 0.00 O ATOM 536 CB PHE A 39 44.712 -9.420 -31.290 1.00 0.00 C ATOM 537 CG PHE A 39 44.427 -10.408 -30.181 1.00 0.00 C ATOM 538 CD1 PHE A 39 45.082 -11.645 -30.156 1.00 0.00 C ATOM 539 CD2 PHE A 39 43.519 -10.077 -29.166 1.00 0.00 C ATOM 540 CE1 PHE A 39 44.825 -12.552 -29.119 1.00 0.00 C ATOM 541 CE2 PHE A 39 43.264 -10.981 -28.131 1.00 0.00 C ATOM 542 CZ PHE A 39 43.917 -12.219 -28.107 1.00 0.00 C ATOM 0 H PHE A 39 45.601 -8.633 -29.065 1.00 0.00 H new ATOM 0 HA PHE A 39 46.832 -9.511 -31.581 1.00 0.00 H new ATOM 0 HB2 PHE A 39 43.973 -8.619 -31.277 1.00 0.00 H new ATOM 0 HB3 PHE A 39 44.633 -9.912 -32.259 1.00 0.00 H new ATOM 0 HD1 PHE A 39 45.785 -11.900 -30.935 1.00 0.00 H new ATOM 0 HD2 PHE A 39 43.015 -9.122 -29.184 1.00 0.00 H new ATOM 0 HE1 PHE A 39 45.327 -13.508 -29.101 1.00 0.00 H new ATOM 0 HE2 PHE A 39 42.563 -10.725 -27.350 1.00 0.00 H new ATOM 0 HZ PHE A 39 43.720 -12.918 -27.307 1.00 0.00 H new ATOM 552 N GLY A 40 45.485 -6.513 -31.158 1.00 0.00 N ATOM 553 CA GLY A 40 45.508 -5.135 -31.709 1.00 0.00 C ATOM 554 C GLY A 40 44.077 -4.640 -31.915 1.00 0.00 C ATOM 555 O GLY A 40 43.648 -4.410 -33.029 1.00 0.00 O ATOM 0 H GLY A 40 44.910 -6.638 -30.325 1.00 0.00 H new ATOM 0 HA2 GLY A 40 46.039 -4.469 -31.028 1.00 0.00 H new ATOM 0 HA3 GLY A 40 46.048 -5.120 -32.656 1.00 0.00 H new ATOM 559 N MET A 41 43.321 -4.489 -30.858 1.00 0.00 N ATOM 560 CA MET A 41 41.908 -4.028 -31.024 1.00 0.00 C ATOM 561 C MET A 41 41.275 -3.715 -29.658 1.00 0.00 C ATOM 562 O MET A 41 40.069 -3.720 -29.510 1.00 0.00 O ATOM 563 CB MET A 41 41.090 -5.125 -31.726 1.00 0.00 C ATOM 564 CG MET A 41 41.922 -6.411 -31.827 1.00 0.00 C ATOM 565 SD MET A 41 40.838 -7.820 -32.162 1.00 0.00 S ATOM 566 CE MET A 41 40.229 -7.263 -33.773 1.00 0.00 C ATOM 0 H MET A 41 43.616 -4.662 -29.897 1.00 0.00 H new ATOM 0 HA MET A 41 41.907 -3.120 -31.627 1.00 0.00 H new ATOM 0 HB2 MET A 41 40.172 -5.318 -31.171 1.00 0.00 H new ATOM 0 HB3 MET A 41 40.797 -4.792 -32.722 1.00 0.00 H new ATOM 0 HG2 MET A 41 42.663 -6.314 -32.621 1.00 0.00 H new ATOM 0 HG3 MET A 41 42.469 -6.574 -30.899 1.00 0.00 H new ATOM 0 HE1 MET A 41 39.798 -8.108 -34.311 1.00 0.00 H new ATOM 0 HE2 MET A 41 39.466 -6.498 -33.629 1.00 0.00 H new ATOM 0 HE3 MET A 41 41.055 -6.848 -34.351 1.00 0.00 H new ATOM 576 N TYR A 42 42.075 -3.440 -28.663 1.00 0.00 N ATOM 577 CA TYR A 42 41.524 -3.121 -27.314 1.00 0.00 C ATOM 578 C TYR A 42 41.354 -1.592 -27.200 1.00 0.00 C ATOM 579 O TYR A 42 41.335 -1.021 -26.128 1.00 0.00 O ATOM 580 CB TYR A 42 42.513 -3.664 -26.266 1.00 0.00 C ATOM 581 CG TYR A 42 42.394 -2.929 -24.951 1.00 0.00 C ATOM 582 CD1 TYR A 42 41.153 -2.804 -24.313 1.00 0.00 C ATOM 583 CD2 TYR A 42 43.540 -2.375 -24.364 1.00 0.00 C ATOM 584 CE1 TYR A 42 41.061 -2.126 -23.089 1.00 0.00 C ATOM 585 CE2 TYR A 42 43.447 -1.697 -23.145 1.00 0.00 C ATOM 586 CZ TYR A 42 42.209 -1.572 -22.507 1.00 0.00 C ATOM 587 OH TYR A 42 42.117 -0.904 -21.302 1.00 0.00 O ATOM 0 H TYR A 42 43.093 -3.423 -28.727 1.00 0.00 H new ATOM 0 HA TYR A 42 40.549 -3.580 -27.152 1.00 0.00 H new ATOM 0 HB2 TYR A 42 42.328 -4.726 -26.107 1.00 0.00 H new ATOM 0 HB3 TYR A 42 43.531 -3.571 -26.644 1.00 0.00 H new ATOM 0 HD1 TYR A 42 40.268 -3.229 -24.763 1.00 0.00 H new ATOM 0 HD2 TYR A 42 44.497 -2.472 -24.855 1.00 0.00 H new ATOM 0 HE1 TYR A 42 40.105 -2.031 -22.595 1.00 0.00 H new ATOM 0 HE2 TYR A 42 44.331 -1.270 -22.696 1.00 0.00 H new ATOM 0 HH TYR A 42 43.004 -0.583 -21.038 1.00 0.00 H new ATOM 597 N SER A 43 41.234 -0.921 -28.313 1.00 0.00 N ATOM 598 CA SER A 43 41.076 0.562 -28.284 1.00 0.00 C ATOM 599 C SER A 43 39.624 0.948 -28.575 1.00 0.00 C ATOM 600 O SER A 43 38.842 0.149 -29.042 1.00 0.00 O ATOM 601 CB SER A 43 41.978 1.180 -29.353 1.00 0.00 C ATOM 602 OG SER A 43 41.416 0.945 -30.637 1.00 0.00 O ATOM 0 H SER A 43 41.239 -1.337 -29.244 1.00 0.00 H new ATOM 0 HA SER A 43 41.351 0.930 -27.295 1.00 0.00 H new ATOM 0 HB2 SER A 43 42.084 2.251 -29.181 1.00 0.00 H new ATOM 0 HB3 SER A 43 42.977 0.748 -29.296 1.00 0.00 H new ATOM 0 HG SER A 43 41.992 1.342 -31.324 1.00 0.00 H new ATOM 608 N GLU A 44 39.261 2.173 -28.307 1.00 0.00 N ATOM 609 CA GLU A 44 37.868 2.621 -28.574 1.00 0.00 C ATOM 610 C GLU A 44 37.457 2.213 -29.989 1.00 0.00 C ATOM 611 O GLU A 44 36.638 1.349 -30.170 1.00 0.00 O ATOM 612 CB GLU A 44 37.785 4.143 -28.433 1.00 0.00 C ATOM 613 CG GLU A 44 37.484 4.501 -26.976 1.00 0.00 C ATOM 614 CD GLU A 44 36.609 5.756 -26.926 1.00 0.00 C ATOM 615 OE1 GLU A 44 35.935 6.023 -27.906 1.00 0.00 O ATOM 616 OE2 GLU A 44 36.627 6.426 -25.907 1.00 0.00 O ATOM 0 H GLU A 44 39.875 2.886 -27.912 1.00 0.00 H new ATOM 0 HA GLU A 44 37.194 2.153 -27.856 1.00 0.00 H new ATOM 0 HB2 GLU A 44 38.724 4.600 -28.745 1.00 0.00 H new ATOM 0 HB3 GLU A 44 37.006 4.538 -29.085 1.00 0.00 H new ATOM 0 HG2 GLU A 44 36.976 3.671 -26.485 1.00 0.00 H new ATOM 0 HG3 GLU A 44 38.414 4.672 -26.433 1.00 0.00 H new ATOM 623 N ASP A 45 38.007 2.826 -30.997 1.00 0.00 N ATOM 624 CA ASP A 45 37.616 2.456 -32.383 1.00 0.00 C ATOM 625 C ASP A 45 37.689 0.935 -32.574 1.00 0.00 C ATOM 626 O ASP A 45 37.073 0.385 -33.465 1.00 0.00 O ATOM 627 CB ASP A 45 38.551 3.140 -33.364 1.00 0.00 C ATOM 628 CG ASP A 45 37.967 3.058 -34.777 1.00 0.00 C ATOM 629 OD1 ASP A 45 37.958 1.972 -35.332 1.00 0.00 O ATOM 630 OD2 ASP A 45 37.536 4.084 -35.279 1.00 0.00 O ATOM 0 H ASP A 45 38.707 3.564 -30.922 1.00 0.00 H new ATOM 0 HA ASP A 45 36.590 2.779 -32.562 1.00 0.00 H new ATOM 0 HB2 ASP A 45 38.693 4.182 -33.079 1.00 0.00 H new ATOM 0 HB3 ASP A 45 39.532 2.665 -33.337 1.00 0.00 H new ATOM 635 N ALA A 46 38.442 0.254 -31.751 1.00 0.00 N ATOM 636 CA ALA A 46 38.559 -1.230 -31.894 1.00 0.00 C ATOM 637 C ALA A 46 37.294 -1.917 -31.375 1.00 0.00 C ATOM 638 O ALA A 46 36.491 -2.416 -32.135 1.00 0.00 O ATOM 639 CB ALA A 46 39.770 -1.724 -31.102 1.00 0.00 C ATOM 0 H ALA A 46 38.981 0.659 -30.986 1.00 0.00 H new ATOM 0 HA ALA A 46 38.684 -1.474 -32.949 1.00 0.00 H new ATOM 0 HB1 ALA A 46 39.856 -2.806 -31.206 1.00 0.00 H new ATOM 0 HB2 ALA A 46 40.673 -1.250 -31.485 1.00 0.00 H new ATOM 0 HB3 ALA A 46 39.645 -1.469 -30.050 1.00 0.00 H new ATOM 645 N ILE A 47 37.122 -1.956 -30.088 1.00 0.00 N ATOM 646 CA ILE A 47 35.922 -2.613 -29.505 1.00 0.00 C ATOM 647 C ILE A 47 34.661 -1.875 -29.947 1.00 0.00 C ATOM 648 O ILE A 47 33.558 -2.369 -29.827 1.00 0.00 O ATOM 649 CB ILE A 47 36.054 -2.563 -27.994 1.00 0.00 C ATOM 650 CG1 ILE A 47 34.943 -3.370 -27.339 1.00 0.00 C ATOM 651 CG2 ILE A 47 35.949 -1.124 -27.516 1.00 0.00 C ATOM 652 CD1 ILE A 47 35.023 -3.165 -25.826 1.00 0.00 C ATOM 0 H ILE A 47 37.767 -1.557 -29.406 1.00 0.00 H new ATOM 0 HA ILE A 47 35.849 -3.646 -29.844 1.00 0.00 H new ATOM 0 HB ILE A 47 37.022 -2.982 -27.720 1.00 0.00 H new ATOM 0 HG12 ILE A 47 33.971 -3.050 -27.714 1.00 0.00 H new ATOM 0 HG13 ILE A 47 35.047 -4.427 -27.584 1.00 0.00 H new ATOM 0 HG21 ILE A 47 36.044 -1.093 -26.431 1.00 0.00 H new ATOM 0 HG22 ILE A 47 36.745 -0.532 -27.967 1.00 0.00 H new ATOM 0 HG23 ILE A 47 34.982 -0.714 -27.807 1.00 0.00 H new ATOM 0 HD11 ILE A 47 34.233 -3.737 -25.339 1.00 0.00 H new ATOM 0 HD12 ILE A 47 35.993 -3.505 -25.464 1.00 0.00 H new ATOM 0 HD13 ILE A 47 34.900 -2.107 -25.595 1.00 0.00 H new ATOM 664 N ILE A 48 34.825 -0.700 -30.476 1.00 0.00 N ATOM 665 CA ILE A 48 33.652 0.079 -30.954 1.00 0.00 C ATOM 666 C ILE A 48 33.178 -0.557 -32.265 1.00 0.00 C ATOM 667 O ILE A 48 32.000 -0.598 -32.563 1.00 0.00 O ATOM 668 CB ILE A 48 34.064 1.546 -31.166 1.00 0.00 C ATOM 669 CG1 ILE A 48 34.205 2.243 -29.809 1.00 0.00 C ATOM 670 CG2 ILE A 48 33.000 2.283 -31.971 1.00 0.00 C ATOM 671 CD1 ILE A 48 34.727 3.665 -30.020 1.00 0.00 C ATOM 0 H ILE A 48 35.727 -0.241 -30.599 1.00 0.00 H new ATOM 0 HA ILE A 48 32.842 0.063 -30.225 1.00 0.00 H new ATOM 0 HB ILE A 48 35.012 1.562 -31.704 1.00 0.00 H new ATOM 0 HG12 ILE A 48 33.242 2.269 -29.299 1.00 0.00 H new ATOM 0 HG13 ILE A 48 34.889 1.684 -29.170 1.00 0.00 H new ATOM 0 HG21 ILE A 48 33.305 3.320 -32.113 1.00 0.00 H new ATOM 0 HG22 ILE A 48 32.881 1.803 -32.942 1.00 0.00 H new ATOM 0 HG23 ILE A 48 32.052 2.254 -31.434 1.00 0.00 H new ATOM 0 HD11 ILE A 48 34.828 4.162 -29.055 1.00 0.00 H new ATOM 0 HD12 ILE A 48 35.699 3.627 -30.512 1.00 0.00 H new ATOM 0 HD13 ILE A 48 34.027 4.221 -30.643 1.00 0.00 H new ATOM 683 N TYR A 49 34.097 -1.094 -33.028 1.00 0.00 N ATOM 684 CA TYR A 49 33.727 -1.781 -34.300 1.00 0.00 C ATOM 685 C TYR A 49 33.576 -3.277 -34.013 1.00 0.00 C ATOM 686 O TYR A 49 33.010 -4.022 -34.787 1.00 0.00 O ATOM 687 CB TYR A 49 34.823 -1.584 -35.344 1.00 0.00 C ATOM 688 CG TYR A 49 34.457 -2.376 -36.573 1.00 0.00 C ATOM 689 CD1 TYR A 49 34.762 -3.740 -36.643 1.00 0.00 C ATOM 690 CD2 TYR A 49 33.798 -1.749 -37.635 1.00 0.00 C ATOM 691 CE1 TYR A 49 34.409 -4.477 -37.780 1.00 0.00 C ATOM 692 CE2 TYR A 49 33.446 -2.484 -38.770 1.00 0.00 C ATOM 693 CZ TYR A 49 33.750 -3.849 -38.844 1.00 0.00 C ATOM 694 OH TYR A 49 33.401 -4.575 -39.963 1.00 0.00 O ATOM 0 H TYR A 49 35.096 -1.085 -32.821 1.00 0.00 H new ATOM 0 HA TYR A 49 32.795 -1.364 -34.682 1.00 0.00 H new ATOM 0 HB2 TYR A 49 34.926 -0.527 -35.591 1.00 0.00 H new ATOM 0 HB3 TYR A 49 35.784 -1.915 -34.952 1.00 0.00 H new ATOM 0 HD1 TYR A 49 35.269 -4.224 -35.821 1.00 0.00 H new ATOM 0 HD2 TYR A 49 33.561 -0.697 -37.578 1.00 0.00 H new ATOM 0 HE1 TYR A 49 34.645 -5.529 -37.836 1.00 0.00 H new ATOM 0 HE2 TYR A 49 32.939 -1.999 -39.591 1.00 0.00 H new ATOM 0 HH TYR A 49 32.950 -3.989 -40.606 1.00 0.00 H new ATOM 704 N GLN A 50 34.075 -3.717 -32.891 1.00 0.00 N ATOM 705 CA GLN A 50 33.960 -5.151 -32.520 1.00 0.00 C ATOM 706 C GLN A 50 32.667 -5.320 -31.705 1.00 0.00 C ATOM 707 O GLN A 50 32.214 -6.418 -31.446 1.00 0.00 O ATOM 708 CB GLN A 50 35.227 -5.547 -31.727 1.00 0.00 C ATOM 709 CG GLN A 50 34.936 -6.540 -30.593 1.00 0.00 C ATOM 710 CD GLN A 50 35.199 -7.963 -31.083 1.00 0.00 C ATOM 711 OE1 GLN A 50 35.891 -8.163 -32.062 1.00 0.00 O ATOM 712 NE2 GLN A 50 34.683 -8.970 -30.434 1.00 0.00 N ATOM 0 H GLN A 50 34.563 -3.136 -32.209 1.00 0.00 H new ATOM 0 HA GLN A 50 33.899 -5.807 -33.388 1.00 0.00 H new ATOM 0 HB2 GLN A 50 35.954 -5.986 -32.410 1.00 0.00 H new ATOM 0 HB3 GLN A 50 35.683 -4.650 -31.309 1.00 0.00 H new ATOM 0 HG2 GLN A 50 35.565 -6.319 -29.731 1.00 0.00 H new ATOM 0 HG3 GLN A 50 33.901 -6.442 -30.266 1.00 0.00 H new ATOM 0 HE21 GLN A 50 34.102 -8.803 -29.612 1.00 0.00 H new ATOM 0 HE22 GLN A 50 34.860 -9.924 -30.748 1.00 0.00 H new ATOM 721 N VAL A 51 32.061 -4.221 -31.323 1.00 0.00 N ATOM 722 CA VAL A 51 30.789 -4.274 -30.547 1.00 0.00 C ATOM 723 C VAL A 51 29.618 -3.938 -31.473 1.00 0.00 C ATOM 724 O VAL A 51 28.585 -4.576 -31.453 1.00 0.00 O ATOM 725 CB VAL A 51 30.836 -3.215 -29.449 1.00 0.00 C ATOM 726 CG1 VAL A 51 29.449 -3.071 -28.817 1.00 0.00 C ATOM 727 CG2 VAL A 51 31.845 -3.623 -28.376 1.00 0.00 C ATOM 0 H VAL A 51 32.401 -3.280 -31.520 1.00 0.00 H new ATOM 0 HA VAL A 51 30.664 -5.270 -30.121 1.00 0.00 H new ATOM 0 HB VAL A 51 31.140 -2.263 -29.883 1.00 0.00 H new ATOM 0 HG11 VAL A 51 29.483 -2.315 -28.033 1.00 0.00 H new ATOM 0 HG12 VAL A 51 28.731 -2.771 -29.580 1.00 0.00 H new ATOM 0 HG13 VAL A 51 29.144 -4.025 -28.387 1.00 0.00 H new ATOM 0 HG21 VAL A 51 31.873 -2.863 -27.595 1.00 0.00 H new ATOM 0 HG22 VAL A 51 31.548 -4.578 -27.942 1.00 0.00 H new ATOM 0 HG23 VAL A 51 32.834 -3.720 -28.824 1.00 0.00 H new ATOM 737 N GLN A 52 29.781 -2.916 -32.267 1.00 0.00 N ATOM 738 CA GLN A 52 28.696 -2.486 -33.188 1.00 0.00 C ATOM 739 C GLN A 52 28.360 -3.597 -34.168 1.00 0.00 C ATOM 740 O GLN A 52 27.374 -3.539 -34.875 1.00 0.00 O ATOM 741 CB GLN A 52 29.175 -1.288 -33.978 1.00 0.00 C ATOM 742 CG GLN A 52 28.318 -0.067 -33.638 1.00 0.00 C ATOM 743 CD GLN A 52 29.162 1.204 -33.761 1.00 0.00 C ATOM 744 OE1 GLN A 52 30.236 1.190 -34.501 1.00 0.00 O flip ATOM 745 NE2 GLN A 52 28.838 2.222 -33.180 1.00 0.00 N flip ATOM 0 H GLN A 52 30.631 -2.355 -32.316 1.00 0.00 H new ATOM 0 HA GLN A 52 27.811 -2.241 -32.601 1.00 0.00 H new ATOM 0 HB2 GLN A 52 30.221 -1.085 -33.749 1.00 0.00 H new ATOM 0 HB3 GLN A 52 29.117 -1.498 -35.046 1.00 0.00 H new ATOM 0 HG2 GLN A 52 27.461 -0.013 -34.310 1.00 0.00 H new ATOM 0 HG3 GLN A 52 27.924 -0.157 -32.626 1.00 0.00 H new ATOM 0 HE21 GLN A 52 27.998 2.234 -32.601 1.00 0.00 H new ATOM 0 HE22 GLN A 52 29.406 3.064 -33.272 1.00 0.00 H new ATOM 754 N HIS A 53 29.177 -4.599 -34.235 1.00 0.00 N ATOM 755 CA HIS A 53 28.917 -5.693 -35.184 1.00 0.00 C ATOM 756 C HIS A 53 29.525 -6.953 -34.611 1.00 0.00 C ATOM 757 O HIS A 53 29.813 -7.897 -35.320 1.00 0.00 O ATOM 758 CB HIS A 53 29.590 -5.402 -36.514 1.00 0.00 C ATOM 759 CG HIS A 53 29.955 -3.943 -36.639 1.00 0.00 C ATOM 760 ND1 HIS A 53 30.661 -3.100 -35.817 1.00 0.00 N flip ATOM 761 CD2 HIS A 53 29.598 -3.183 -37.741 1.00 0.00 C flip ATOM 762 CE1 HIS A 53 30.747 -1.839 -36.398 1.00 0.00 C flip ATOM 763 NE2 HIS A 53 30.089 -1.943 -37.556 1.00 0.00 N flip ATOM 0 H HIS A 53 30.018 -4.705 -33.668 1.00 0.00 H new ATOM 0 HA HIS A 53 27.843 -5.800 -35.340 1.00 0.00 H new ATOM 0 HB2 HIS A 53 30.488 -6.013 -36.611 1.00 0.00 H new ATOM 0 HB3 HIS A 53 28.924 -5.683 -37.330 1.00 0.00 H new ATOM 0 HD1 HIS A 53 31.062 -3.359 -34.916 1.00 0.00 H new ATOM 0 HD2 HIS A 53 29.029 -3.523 -38.594 1.00 0.00 H new ATOM 0 HE1 HIS A 53 31.239 -0.965 -35.999 1.00 0.00 H new ATOM 771 N GLY A 54 29.754 -6.971 -33.331 1.00 0.00 N ATOM 772 CA GLY A 54 30.373 -8.160 -32.739 1.00 0.00 C ATOM 773 C GLY A 54 31.717 -8.352 -33.405 1.00 0.00 C ATOM 774 O GLY A 54 32.490 -7.428 -33.560 1.00 0.00 O ATOM 0 H GLY A 54 29.538 -6.215 -32.682 1.00 0.00 H new ATOM 0 HA2 GLY A 54 30.493 -8.034 -31.663 1.00 0.00 H new ATOM 0 HA3 GLY A 54 29.742 -9.036 -32.889 1.00 0.00 H new ATOM 778 N LYS A 55 31.964 -9.546 -33.805 1.00 0.00 N ATOM 779 CA LYS A 55 33.239 -9.894 -34.502 1.00 0.00 C ATOM 780 C LYS A 55 33.542 -11.370 -34.295 1.00 0.00 C ATOM 781 O LYS A 55 33.349 -11.911 -33.226 1.00 0.00 O ATOM 782 CB LYS A 55 34.396 -9.061 -33.950 1.00 0.00 C ATOM 783 CG LYS A 55 34.847 -7.988 -34.967 1.00 0.00 C ATOM 784 CD LYS A 55 33.700 -7.545 -35.893 1.00 0.00 C ATOM 785 CE LYS A 55 33.914 -8.138 -37.286 1.00 0.00 C ATOM 786 NZ LYS A 55 32.601 -8.250 -37.982 1.00 0.00 N ATOM 0 H LYS A 55 31.325 -10.331 -33.681 1.00 0.00 H new ATOM 0 HA LYS A 55 33.126 -9.681 -35.565 1.00 0.00 H new ATOM 0 HB2 LYS A 55 34.090 -8.580 -33.021 1.00 0.00 H new ATOM 0 HB3 LYS A 55 35.235 -9.714 -33.710 1.00 0.00 H new ATOM 0 HG2 LYS A 55 35.234 -7.121 -34.431 1.00 0.00 H new ATOM 0 HG3 LYS A 55 35.666 -8.382 -35.569 1.00 0.00 H new ATOM 0 HD2 LYS A 55 32.743 -7.875 -35.488 1.00 0.00 H new ATOM 0 HD3 LYS A 55 33.664 -6.457 -35.950 1.00 0.00 H new ATOM 0 HE2 LYS A 55 34.591 -7.507 -37.862 1.00 0.00 H new ATOM 0 HE3 LYS A 55 34.382 -9.119 -37.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 32.744 -8.653 -38.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 31.969 -8.869 -37.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 32.172 -7.306 -38.068 1.00 0.00 H new ATOM 800 N ASN A 56 34.016 -12.023 -35.317 1.00 0.00 N ATOM 801 CA ASN A 56 34.336 -13.468 -35.195 1.00 0.00 C ATOM 802 C ASN A 56 33.111 -14.213 -34.656 1.00 0.00 C ATOM 803 O ASN A 56 32.289 -14.697 -35.408 1.00 0.00 O ATOM 804 CB ASN A 56 35.514 -13.650 -34.241 1.00 0.00 C ATOM 805 CG ASN A 56 36.791 -13.133 -34.905 1.00 0.00 C ATOM 806 OD1 ASN A 56 37.612 -13.907 -35.355 1.00 0.00 O ATOM 807 ND2 ASN A 56 36.994 -11.846 -34.988 1.00 0.00 N ATOM 0 H ASN A 56 34.196 -11.615 -36.235 1.00 0.00 H new ATOM 0 HA ASN A 56 34.602 -13.870 -36.173 1.00 0.00 H new ATOM 0 HB2 ASN A 56 35.330 -13.111 -33.312 1.00 0.00 H new ATOM 0 HB3 ASN A 56 35.627 -14.703 -33.981 1.00 0.00 H new ATOM 0 HD21 ASN A 56 37.842 -11.491 -35.431 1.00 0.00 H new ATOM 0 HD22 ASN A 56 36.305 -11.196 -34.610 1.00 0.00 H new ATOM 814 N ALA A 57 32.981 -14.309 -33.359 1.00 0.00 N ATOM 815 CA ALA A 57 31.808 -15.022 -32.783 1.00 0.00 C ATOM 816 C ALA A 57 31.102 -14.126 -31.756 1.00 0.00 C ATOM 817 O ALA A 57 30.716 -14.574 -30.695 1.00 0.00 O ATOM 818 CB ALA A 57 32.281 -16.307 -32.098 1.00 0.00 C ATOM 0 H ALA A 57 33.635 -13.925 -32.677 1.00 0.00 H new ATOM 0 HA ALA A 57 31.109 -15.267 -33.583 1.00 0.00 H new ATOM 0 HB1 ALA A 57 31.424 -16.831 -31.675 1.00 0.00 H new ATOM 0 HB2 ALA A 57 32.774 -16.948 -32.828 1.00 0.00 H new ATOM 0 HB3 ALA A 57 32.982 -16.058 -31.302 1.00 0.00 H new ATOM 824 N MET A 58 30.925 -12.867 -32.063 1.00 0.00 N ATOM 825 CA MET A 58 30.237 -11.958 -31.098 1.00 0.00 C ATOM 826 C MET A 58 29.061 -11.260 -31.804 1.00 0.00 C ATOM 827 O MET A 58 29.146 -10.947 -32.973 1.00 0.00 O ATOM 828 CB MET A 58 31.236 -10.925 -30.568 1.00 0.00 C ATOM 829 CG MET A 58 30.500 -9.762 -29.895 1.00 0.00 C ATOM 830 SD MET A 58 31.664 -8.418 -29.560 1.00 0.00 S ATOM 831 CE MET A 58 30.469 -7.277 -28.826 1.00 0.00 C ATOM 0 H MET A 58 31.225 -12.431 -32.935 1.00 0.00 H new ATOM 0 HA MET A 58 29.850 -12.534 -30.257 1.00 0.00 H new ATOM 0 HB2 MET A 58 31.912 -11.397 -29.855 1.00 0.00 H new ATOM 0 HB3 MET A 58 31.849 -10.550 -31.387 1.00 0.00 H new ATOM 0 HG2 MET A 58 29.695 -9.407 -30.538 1.00 0.00 H new ATOM 0 HG3 MET A 58 30.041 -10.099 -28.966 1.00 0.00 H new ATOM 0 HE1 MET A 58 30.986 -6.589 -28.158 1.00 0.00 H new ATOM 0 HE2 MET A 58 29.973 -6.712 -29.615 1.00 0.00 H new ATOM 0 HE3 MET A 58 29.726 -7.841 -28.262 1.00 0.00 H new ATOM 841 N PRO A 59 27.988 -11.066 -31.075 1.00 0.00 N ATOM 842 CA PRO A 59 26.758 -10.426 -31.599 1.00 0.00 C ATOM 843 C PRO A 59 26.847 -8.898 -31.738 1.00 0.00 C ATOM 844 O PRO A 59 27.023 -8.183 -30.772 1.00 0.00 O ATOM 845 CB PRO A 59 25.699 -10.787 -30.556 1.00 0.00 C ATOM 846 CG PRO A 59 26.453 -11.128 -29.255 1.00 0.00 C ATOM 847 CD PRO A 59 27.889 -11.487 -29.659 1.00 0.00 C ATOM 0 HA PRO A 59 26.549 -10.775 -32.610 1.00 0.00 H new ATOM 0 HB2 PRO A 59 25.013 -9.955 -30.398 1.00 0.00 H new ATOM 0 HB3 PRO A 59 25.101 -11.635 -30.890 1.00 0.00 H new ATOM 0 HG2 PRO A 59 26.444 -10.281 -28.569 1.00 0.00 H new ATOM 0 HG3 PRO A 59 25.976 -11.961 -28.738 1.00 0.00 H new ATOM 0 HD2 PRO A 59 28.618 -10.967 -29.038 1.00 0.00 H new ATOM 0 HD3 PRO A 59 28.078 -12.555 -29.547 1.00 0.00 H new ATOM 855 N ALA A 60 26.669 -8.400 -32.941 1.00 0.00 N ATOM 856 CA ALA A 60 26.674 -6.929 -33.172 1.00 0.00 C ATOM 857 C ALA A 60 25.920 -6.228 -32.044 1.00 0.00 C ATOM 858 O ALA A 60 25.195 -6.847 -31.290 1.00 0.00 O ATOM 859 CB ALA A 60 25.953 -6.642 -34.491 1.00 0.00 C ATOM 0 H ALA A 60 26.519 -8.962 -33.779 1.00 0.00 H new ATOM 0 HA ALA A 60 27.701 -6.567 -33.206 1.00 0.00 H new ATOM 0 HB1 ALA A 60 25.947 -5.568 -34.676 1.00 0.00 H new ATOM 0 HB2 ALA A 60 26.470 -7.148 -35.306 1.00 0.00 H new ATOM 0 HB3 ALA A 60 24.927 -7.005 -34.431 1.00 0.00 H new ATOM 865 N PHE A 61 26.066 -4.936 -31.932 1.00 0.00 N ATOM 866 CA PHE A 61 25.350 -4.205 -30.876 1.00 0.00 C ATOM 867 C PHE A 61 24.961 -2.817 -31.379 1.00 0.00 C ATOM 868 O PHE A 61 24.537 -1.968 -30.622 1.00 0.00 O ATOM 869 CB PHE A 61 26.235 -4.096 -29.638 1.00 0.00 C ATOM 870 CG PHE A 61 26.072 -5.355 -28.830 1.00 0.00 C ATOM 871 CD1 PHE A 61 24.924 -5.533 -28.055 1.00 0.00 C ATOM 872 CD2 PHE A 61 27.056 -6.348 -28.867 1.00 0.00 C ATOM 873 CE1 PHE A 61 24.758 -6.705 -27.312 1.00 0.00 C ATOM 874 CE2 PHE A 61 26.892 -7.521 -28.125 1.00 0.00 C ATOM 875 CZ PHE A 61 25.742 -7.699 -27.347 1.00 0.00 C ATOM 0 H PHE A 61 26.656 -4.362 -32.535 1.00 0.00 H new ATOM 0 HA PHE A 61 24.441 -4.746 -30.612 1.00 0.00 H new ATOM 0 HB2 PHE A 61 27.277 -3.962 -29.927 1.00 0.00 H new ATOM 0 HB3 PHE A 61 25.954 -3.225 -29.046 1.00 0.00 H new ATOM 0 HD1 PHE A 61 24.165 -4.765 -28.030 1.00 0.00 H new ATOM 0 HD2 PHE A 61 27.942 -6.209 -29.469 1.00 0.00 H new ATOM 0 HE1 PHE A 61 23.871 -6.843 -26.711 1.00 0.00 H new ATOM 0 HE2 PHE A 61 27.651 -8.289 -28.152 1.00 0.00 H new ATOM 0 HZ PHE A 61 25.614 -8.605 -26.773 1.00 0.00 H new ATOM 885 N ALA A 62 25.090 -2.583 -32.655 1.00 0.00 N ATOM 886 CA ALA A 62 24.717 -1.259 -33.205 1.00 0.00 C ATOM 887 C ALA A 62 23.279 -0.937 -32.801 1.00 0.00 C ATOM 888 O ALA A 62 22.862 0.204 -32.820 1.00 0.00 O ATOM 889 CB ALA A 62 24.825 -1.285 -34.730 1.00 0.00 C ATOM 0 H ALA A 62 25.439 -3.255 -33.338 1.00 0.00 H new ATOM 0 HA ALA A 62 25.390 -0.497 -32.811 1.00 0.00 H new ATOM 0 HB1 ALA A 62 24.550 -0.309 -35.131 1.00 0.00 H new ATOM 0 HB2 ALA A 62 25.850 -1.520 -35.018 1.00 0.00 H new ATOM 0 HB3 ALA A 62 24.153 -2.044 -35.129 1.00 0.00 H new ATOM 895 N GLY A 63 22.513 -1.931 -32.429 1.00 0.00 N ATOM 896 CA GLY A 63 21.109 -1.660 -32.025 1.00 0.00 C ATOM 897 C GLY A 63 20.680 -2.651 -30.950 1.00 0.00 C ATOM 898 O GLY A 63 19.509 -2.909 -30.760 1.00 0.00 O ATOM 0 H GLY A 63 22.800 -2.909 -32.389 1.00 0.00 H new ATOM 0 HA2 GLY A 63 21.019 -0.641 -31.649 1.00 0.00 H new ATOM 0 HA3 GLY A 63 20.450 -1.740 -32.890 1.00 0.00 H new ATOM 902 N ARG A 64 21.616 -3.187 -30.223 1.00 0.00 N ATOM 903 CA ARG A 64 21.258 -4.132 -29.142 1.00 0.00 C ATOM 904 C ARG A 64 21.363 -3.330 -27.871 1.00 0.00 C ATOM 905 O ARG A 64 20.553 -3.421 -26.971 1.00 0.00 O ATOM 906 CB ARG A 64 22.251 -5.291 -29.107 1.00 0.00 C ATOM 907 CG ARG A 64 21.668 -6.490 -29.846 1.00 0.00 C ATOM 908 CD ARG A 64 20.381 -6.916 -29.151 1.00 0.00 C ATOM 909 NE ARG A 64 20.067 -8.330 -29.503 1.00 0.00 N ATOM 910 CZ ARG A 64 19.572 -9.133 -28.601 1.00 0.00 C ATOM 911 NH1 ARG A 64 18.800 -8.660 -27.661 1.00 0.00 N ATOM 912 NH2 ARG A 64 19.848 -10.409 -28.639 1.00 0.00 N ATOM 0 H ARG A 64 22.614 -3.009 -30.333 1.00 0.00 H new ATOM 0 HA ARG A 64 20.264 -4.557 -29.283 1.00 0.00 H new ATOM 0 HB2 ARG A 64 23.192 -4.990 -29.568 1.00 0.00 H new ATOM 0 HB3 ARG A 64 22.473 -5.561 -28.075 1.00 0.00 H new ATOM 0 HG2 ARG A 64 21.468 -6.232 -30.886 1.00 0.00 H new ATOM 0 HG3 ARG A 64 22.383 -7.313 -29.854 1.00 0.00 H new ATOM 0 HD2 ARG A 64 20.488 -6.815 -28.071 1.00 0.00 H new ATOM 0 HD3 ARG A 64 19.560 -6.265 -29.452 1.00 0.00 H new ATOM 0 HE ARG A 64 20.239 -8.670 -30.449 1.00 0.00 H new ATOM 0 HH11 ARG A 64 18.584 -7.664 -27.632 1.00 0.00 H new ATOM 0 HH12 ARG A 64 18.413 -9.287 -26.956 1.00 0.00 H new ATOM 0 HH21 ARG A 64 20.451 -10.779 -29.374 1.00 0.00 H new ATOM 0 HH22 ARG A 64 19.461 -11.036 -27.934 1.00 0.00 H new ATOM 926 N LEU A 65 22.367 -2.503 -27.833 1.00 0.00 N ATOM 927 CA LEU A 65 22.562 -1.622 -26.665 1.00 0.00 C ATOM 928 C LEU A 65 22.095 -0.217 -27.035 1.00 0.00 C ATOM 929 O LEU A 65 21.251 -0.020 -27.887 1.00 0.00 O ATOM 930 CB LEU A 65 24.044 -1.576 -26.281 1.00 0.00 C ATOM 931 CG LEU A 65 24.691 -2.925 -26.570 1.00 0.00 C ATOM 932 CD1 LEU A 65 26.135 -2.917 -26.070 1.00 0.00 C ATOM 933 CD2 LEU A 65 23.906 -4.027 -25.851 1.00 0.00 C ATOM 0 H LEU A 65 23.064 -2.403 -28.571 1.00 0.00 H new ATOM 0 HA LEU A 65 21.990 -2.004 -25.819 1.00 0.00 H new ATOM 0 HB2 LEU A 65 24.551 -0.791 -26.842 1.00 0.00 H new ATOM 0 HB3 LEU A 65 24.148 -1.331 -25.224 1.00 0.00 H new ATOM 0 HG LEU A 65 24.682 -3.112 -27.644 1.00 0.00 H new ATOM 0 HD11 LEU A 65 26.597 -3.882 -26.277 1.00 0.00 H new ATOM 0 HD12 LEU A 65 26.692 -2.131 -26.580 1.00 0.00 H new ATOM 0 HD13 LEU A 65 26.147 -2.732 -24.996 1.00 0.00 H new ATOM 0 HD21 LEU A 65 24.366 -4.994 -26.055 1.00 0.00 H new ATOM 0 HD22 LEU A 65 23.917 -3.840 -24.777 1.00 0.00 H new ATOM 0 HD23 LEU A 65 22.876 -4.032 -26.208 1.00 0.00 H new ATOM 945 N THR A 66 22.640 0.745 -26.380 1.00 0.00 N ATOM 946 CA THR A 66 22.267 2.166 -26.627 1.00 0.00 C ATOM 947 C THR A 66 23.348 2.828 -27.497 1.00 0.00 C ATOM 948 O THR A 66 24.368 2.234 -27.776 1.00 0.00 O ATOM 949 CB THR A 66 22.171 2.866 -25.265 1.00 0.00 C ATOM 950 OG1 THR A 66 21.111 2.290 -24.518 1.00 0.00 O ATOM 951 CG2 THR A 66 21.906 4.358 -25.446 1.00 0.00 C ATOM 0 H THR A 66 23.351 0.614 -25.660 1.00 0.00 H new ATOM 0 HA THR A 66 21.313 2.238 -27.149 1.00 0.00 H new ATOM 0 HB THR A 66 23.116 2.739 -24.737 1.00 0.00 H new ATOM 0 HG1 THR A 66 21.047 2.733 -23.646 1.00 0.00 H new ATOM 0 HG21 THR A 66 21.841 4.837 -24.469 1.00 0.00 H new ATOM 0 HG22 THR A 66 22.720 4.806 -26.016 1.00 0.00 H new ATOM 0 HG23 THR A 66 20.967 4.498 -25.982 1.00 0.00 H new ATOM 959 N ASP A 67 23.145 4.049 -27.923 1.00 0.00 N ATOM 960 CA ASP A 67 24.171 4.727 -28.761 1.00 0.00 C ATOM 961 C ASP A 67 25.350 5.088 -27.867 1.00 0.00 C ATOM 962 O ASP A 67 26.469 4.646 -28.068 1.00 0.00 O ATOM 963 CB ASP A 67 23.579 5.999 -29.375 1.00 0.00 C ATOM 964 CG ASP A 67 23.112 5.707 -30.801 1.00 0.00 C ATOM 965 OD1 ASP A 67 23.131 4.549 -31.183 1.00 0.00 O ATOM 966 OD2 ASP A 67 22.743 6.646 -31.488 1.00 0.00 O ATOM 0 H ASP A 67 22.312 4.603 -27.725 1.00 0.00 H new ATOM 0 HA ASP A 67 24.496 4.069 -29.567 1.00 0.00 H new ATOM 0 HB2 ASP A 67 22.742 6.351 -28.772 1.00 0.00 H new ATOM 0 HB3 ASP A 67 24.325 6.794 -29.381 1.00 0.00 H new ATOM 971 N GLU A 68 25.082 5.848 -26.839 1.00 0.00 N ATOM 972 CA GLU A 68 26.141 6.231 -25.864 1.00 0.00 C ATOM 973 C GLU A 68 26.667 4.977 -25.159 1.00 0.00 C ATOM 974 O GLU A 68 27.473 5.061 -24.266 1.00 0.00 O ATOM 975 CB GLU A 68 25.517 7.135 -24.807 1.00 0.00 C ATOM 976 CG GLU A 68 24.879 8.351 -25.480 1.00 0.00 C ATOM 977 CD GLU A 68 23.777 8.911 -24.579 1.00 0.00 C ATOM 978 OE1 GLU A 68 23.189 8.135 -23.844 1.00 0.00 O ATOM 979 OE2 GLU A 68 23.540 10.106 -24.638 1.00 0.00 O ATOM 0 H GLU A 68 24.157 6.225 -26.632 1.00 0.00 H new ATOM 0 HA GLU A 68 26.954 6.736 -26.386 1.00 0.00 H new ATOM 0 HB2 GLU A 68 24.765 6.584 -24.241 1.00 0.00 H new ATOM 0 HB3 GLU A 68 26.277 7.458 -24.096 1.00 0.00 H new ATOM 0 HG2 GLU A 68 25.634 9.115 -25.667 1.00 0.00 H new ATOM 0 HG3 GLU A 68 24.464 8.069 -26.448 1.00 0.00 H new ATOM 986 N GLN A 69 26.190 3.829 -25.545 1.00 0.00 N ATOM 987 CA GLN A 69 26.613 2.550 -24.925 1.00 0.00 C ATOM 988 C GLN A 69 27.557 1.856 -25.894 1.00 0.00 C ATOM 989 O GLN A 69 28.612 1.392 -25.529 1.00 0.00 O ATOM 990 CB GLN A 69 25.369 1.716 -24.702 1.00 0.00 C ATOM 991 CG GLN A 69 24.814 1.974 -23.304 1.00 0.00 C ATOM 992 CD GLN A 69 24.500 3.443 -23.120 1.00 0.00 C ATOM 993 OE1 GLN A 69 23.354 3.846 -23.126 1.00 0.00 O ATOM 994 NE2 GLN A 69 25.459 4.264 -22.925 1.00 0.00 N ATOM 0 H GLN A 69 25.501 3.724 -26.290 1.00 0.00 H new ATOM 0 HA GLN A 69 27.122 2.702 -23.973 1.00 0.00 H new ATOM 0 HB2 GLN A 69 24.617 1.961 -25.452 1.00 0.00 H new ATOM 0 HB3 GLN A 69 25.604 0.658 -24.820 1.00 0.00 H new ATOM 0 HG2 GLN A 69 23.912 1.381 -23.149 1.00 0.00 H new ATOM 0 HG3 GLN A 69 25.538 1.654 -22.554 1.00 0.00 H new ATOM 0 HE21 GLN A 69 26.423 3.930 -22.919 1.00 0.00 H new ATOM 0 HE22 GLN A 69 25.261 5.253 -22.775 1.00 0.00 H new ATOM 1003 N ILE A 70 27.254 1.851 -27.159 1.00 0.00 N ATOM 1004 CA ILE A 70 28.237 1.257 -28.093 1.00 0.00 C ATOM 1005 C ILE A 70 29.533 2.030 -27.857 1.00 0.00 C ATOM 1006 O ILE A 70 30.620 1.588 -28.172 1.00 0.00 O ATOM 1007 CB ILE A 70 27.771 1.420 -29.540 1.00 0.00 C ATOM 1008 CG1 ILE A 70 26.336 0.901 -29.685 1.00 0.00 C ATOM 1009 CG2 ILE A 70 28.696 0.619 -30.457 1.00 0.00 C ATOM 1010 CD1 ILE A 70 26.164 -0.394 -28.882 1.00 0.00 C ATOM 0 H ILE A 70 26.398 2.219 -27.574 1.00 0.00 H new ATOM 0 HA ILE A 70 28.364 0.188 -27.923 1.00 0.00 H new ATOM 0 HB ILE A 70 27.800 2.475 -29.814 1.00 0.00 H new ATOM 0 HG12 ILE A 70 25.631 1.654 -29.333 1.00 0.00 H new ATOM 0 HG13 ILE A 70 26.110 0.720 -30.736 1.00 0.00 H new ATOM 0 HG21 ILE A 70 28.369 0.731 -31.491 1.00 0.00 H new ATOM 0 HG22 ILE A 70 29.717 0.988 -30.357 1.00 0.00 H new ATOM 0 HG23 ILE A 70 28.662 -0.434 -30.178 1.00 0.00 H new ATOM 0 HD11 ILE A 70 25.142 -0.756 -28.990 1.00 0.00 H new ATOM 0 HD12 ILE A 70 26.857 -1.148 -29.255 1.00 0.00 H new ATOM 0 HD13 ILE A 70 26.370 -0.200 -27.830 1.00 0.00 H new ATOM 1022 N GLN A 71 29.390 3.191 -27.263 1.00 0.00 N ATOM 1023 CA GLN A 71 30.526 4.048 -26.933 1.00 0.00 C ATOM 1024 C GLN A 71 30.920 3.785 -25.478 1.00 0.00 C ATOM 1025 O GLN A 71 31.901 3.148 -25.187 1.00 0.00 O ATOM 1026 CB GLN A 71 30.043 5.484 -27.059 1.00 0.00 C ATOM 1027 CG GLN A 71 29.813 5.815 -28.536 1.00 0.00 C ATOM 1028 CD GLN A 71 30.846 6.842 -28.991 1.00 0.00 C ATOM 1029 OE1 GLN A 71 31.180 7.806 -28.183 1.00 0.00 O flip ATOM 1030 NE2 GLN A 71 31.354 6.767 -30.093 1.00 0.00 N flip ATOM 0 H GLN A 71 28.486 3.577 -26.991 1.00 0.00 H new ATOM 0 HA GLN A 71 31.378 3.859 -27.586 1.00 0.00 H new ATOM 0 HB2 GLN A 71 29.119 5.619 -26.496 1.00 0.00 H new ATOM 0 HB3 GLN A 71 30.779 6.166 -26.632 1.00 0.00 H new ATOM 0 HG2 GLN A 71 29.892 4.911 -29.140 1.00 0.00 H new ATOM 0 HG3 GLN A 71 28.806 6.207 -28.680 1.00 0.00 H new ATOM 0 HE21 GLN A 71 31.091 6.011 -30.725 1.00 0.00 H new ATOM 0 HE22 GLN A 71 32.043 7.460 -30.385 1.00 0.00 H new ATOM 1039 N ASP A 72 30.120 4.268 -24.575 1.00 0.00 N ATOM 1040 CA ASP A 72 30.369 4.073 -23.124 1.00 0.00 C ATOM 1041 C ASP A 72 30.879 2.664 -22.880 1.00 0.00 C ATOM 1042 O ASP A 72 31.893 2.473 -22.263 1.00 0.00 O ATOM 1043 CB ASP A 72 29.060 4.256 -22.361 1.00 0.00 C ATOM 1044 CG ASP A 72 28.772 5.750 -22.186 1.00 0.00 C ATOM 1045 OD1 ASP A 72 29.649 6.541 -22.488 1.00 0.00 O ATOM 1046 OD2 ASP A 72 27.678 6.074 -21.753 1.00 0.00 O ATOM 0 H ASP A 72 29.280 4.805 -24.789 1.00 0.00 H new ATOM 0 HA ASP A 72 31.108 4.799 -22.785 1.00 0.00 H new ATOM 0 HB2 ASP A 72 28.243 3.779 -22.901 1.00 0.00 H new ATOM 0 HB3 ASP A 72 29.124 3.771 -21.387 1.00 0.00 H new ATOM 1051 N VAL A 73 30.160 1.689 -23.357 1.00 0.00 N ATOM 1052 CA VAL A 73 30.562 0.267 -23.177 1.00 0.00 C ATOM 1053 C VAL A 73 31.932 0.048 -23.827 1.00 0.00 C ATOM 1054 O VAL A 73 32.801 -0.611 -23.303 1.00 0.00 O ATOM 1055 CB VAL A 73 29.538 -0.628 -23.871 1.00 0.00 C ATOM 1056 CG1 VAL A 73 29.698 -2.061 -23.380 1.00 0.00 C ATOM 1057 CG2 VAL A 73 28.133 -0.142 -23.547 1.00 0.00 C ATOM 0 H VAL A 73 29.292 1.821 -23.875 1.00 0.00 H new ATOM 0 HA VAL A 73 30.611 0.027 -22.115 1.00 0.00 H new ATOM 0 HB VAL A 73 29.699 -0.590 -24.948 1.00 0.00 H new ATOM 0 HG11 VAL A 73 28.967 -2.699 -23.876 1.00 0.00 H new ATOM 0 HG12 VAL A 73 30.703 -2.414 -23.610 1.00 0.00 H new ATOM 0 HG13 VAL A 73 29.539 -2.096 -22.302 1.00 0.00 H new ATOM 0 HG21 VAL A 73 27.403 -0.782 -24.043 1.00 0.00 H new ATOM 0 HG22 VAL A 73 27.975 -0.179 -22.469 1.00 0.00 H new ATOM 0 HG23 VAL A 73 28.013 0.884 -23.896 1.00 0.00 H new ATOM 1067 N ALA A 74 32.136 0.599 -24.980 1.00 0.00 N ATOM 1068 CA ALA A 74 33.465 0.421 -25.635 1.00 0.00 C ATOM 1069 C ALA A 74 34.518 0.988 -24.683 1.00 0.00 C ATOM 1070 O ALA A 74 35.323 0.274 -24.115 1.00 0.00 O ATOM 1071 CB ALA A 74 33.505 1.171 -26.966 1.00 0.00 C ATOM 0 H ALA A 74 31.457 1.158 -25.497 1.00 0.00 H new ATOM 0 HA ALA A 74 33.654 -0.633 -25.840 1.00 0.00 H new ATOM 0 HB1 ALA A 74 34.480 1.032 -27.433 1.00 0.00 H new ATOM 0 HB2 ALA A 74 32.729 0.783 -27.626 1.00 0.00 H new ATOM 0 HB3 ALA A 74 33.335 2.233 -26.790 1.00 0.00 H new ATOM 1077 N ALA A 75 34.480 2.271 -24.467 1.00 0.00 N ATOM 1078 CA ALA A 75 35.420 2.897 -23.511 1.00 0.00 C ATOM 1079 C ALA A 75 35.215 2.221 -22.148 1.00 0.00 C ATOM 1080 O ALA A 75 36.052 2.288 -21.271 1.00 0.00 O ATOM 1081 CB ALA A 75 35.088 4.386 -23.400 1.00 0.00 C ATOM 0 H ALA A 75 33.831 2.915 -24.918 1.00 0.00 H new ATOM 0 HA ALA A 75 36.453 2.782 -23.840 1.00 0.00 H new ATOM 0 HB1 ALA A 75 35.774 4.860 -22.698 1.00 0.00 H new ATOM 0 HB2 ALA A 75 35.189 4.855 -24.379 1.00 0.00 H new ATOM 0 HB3 ALA A 75 34.065 4.505 -23.044 1.00 0.00 H new ATOM 1087 N TYR A 76 34.095 1.557 -21.983 1.00 0.00 N ATOM 1088 CA TYR A 76 33.796 0.860 -20.698 1.00 0.00 C ATOM 1089 C TYR A 76 34.807 -0.256 -20.519 1.00 0.00 C ATOM 1090 O TYR A 76 35.311 -0.491 -19.443 1.00 0.00 O ATOM 1091 CB TYR A 76 32.381 0.256 -20.748 1.00 0.00 C ATOM 1092 CG TYR A 76 32.108 -0.516 -19.493 1.00 0.00 C ATOM 1093 CD1 TYR A 76 31.631 0.134 -18.386 1.00 0.00 C ATOM 1094 CD2 TYR A 76 32.333 -1.883 -19.454 1.00 0.00 C ATOM 1095 CE1 TYR A 76 31.373 -0.568 -17.220 1.00 0.00 C ATOM 1096 CE2 TYR A 76 32.073 -2.605 -18.284 1.00 0.00 C ATOM 1097 CZ TYR A 76 31.590 -1.941 -17.161 1.00 0.00 C ATOM 1098 OH TYR A 76 31.333 -2.639 -15.997 1.00 0.00 O ATOM 0 H TYR A 76 33.369 1.469 -22.694 1.00 0.00 H new ATOM 0 HA TYR A 76 33.852 1.566 -19.870 1.00 0.00 H new ATOM 0 HB2 TYR A 76 31.642 1.049 -20.865 1.00 0.00 H new ATOM 0 HB3 TYR A 76 32.286 -0.398 -21.615 1.00 0.00 H new ATOM 0 HD1 TYR A 76 31.455 1.199 -18.422 1.00 0.00 H new ATOM 0 HD2 TYR A 76 32.710 -2.392 -20.329 1.00 0.00 H new ATOM 0 HE1 TYR A 76 31.001 -0.046 -16.351 1.00 0.00 H new ATOM 0 HE2 TYR A 76 32.246 -3.671 -18.253 1.00 0.00 H new ATOM 0 HH TYR A 76 32.140 -2.657 -15.442 1.00 0.00 H new ATOM 1108 N VAL A 77 35.111 -0.938 -21.579 1.00 0.00 N ATOM 1109 CA VAL A 77 36.101 -2.032 -21.502 1.00 0.00 C ATOM 1110 C VAL A 77 37.486 -1.409 -21.392 1.00 0.00 C ATOM 1111 O VAL A 77 38.409 -2.001 -20.866 1.00 0.00 O ATOM 1112 CB VAL A 77 36.005 -2.882 -22.766 1.00 0.00 C ATOM 1113 CG1 VAL A 77 37.048 -4.001 -22.720 1.00 0.00 C ATOM 1114 CG2 VAL A 77 34.601 -3.480 -22.857 1.00 0.00 C ATOM 0 H VAL A 77 34.711 -0.781 -22.504 1.00 0.00 H new ATOM 0 HA VAL A 77 35.912 -2.667 -20.636 1.00 0.00 H new ATOM 0 HB VAL A 77 36.196 -2.262 -23.642 1.00 0.00 H new ATOM 0 HG11 VAL A 77 36.975 -4.604 -23.625 1.00 0.00 H new ATOM 0 HG12 VAL A 77 38.045 -3.566 -22.654 1.00 0.00 H new ATOM 0 HG13 VAL A 77 36.868 -4.631 -21.849 1.00 0.00 H new ATOM 0 HG21 VAL A 77 34.523 -4.089 -23.757 1.00 0.00 H new ATOM 0 HG22 VAL A 77 34.413 -4.101 -21.981 1.00 0.00 H new ATOM 0 HG23 VAL A 77 33.865 -2.677 -22.897 1.00 0.00 H new ATOM 1124 N LEU A 78 37.630 -0.203 -21.867 1.00 0.00 N ATOM 1125 CA LEU A 78 38.948 0.473 -21.775 1.00 0.00 C ATOM 1126 C LEU A 78 39.043 1.180 -20.420 1.00 0.00 C ATOM 1127 O LEU A 78 40.081 1.686 -20.042 1.00 0.00 O ATOM 1128 CB LEU A 78 39.079 1.503 -22.903 1.00 0.00 C ATOM 1129 CG LEU A 78 38.261 1.057 -24.123 1.00 0.00 C ATOM 1130 CD1 LEU A 78 38.664 1.897 -25.337 1.00 0.00 C ATOM 1131 CD2 LEU A 78 38.522 -0.419 -24.416 1.00 0.00 C ATOM 0 H LEU A 78 36.891 0.341 -22.314 1.00 0.00 H new ATOM 0 HA LEU A 78 39.749 -0.260 -21.869 1.00 0.00 H new ATOM 0 HB2 LEU A 78 38.731 2.477 -22.559 1.00 0.00 H new ATOM 0 HB3 LEU A 78 40.127 1.619 -23.181 1.00 0.00 H new ATOM 0 HG LEU A 78 37.200 1.196 -23.914 1.00 0.00 H new ATOM 0 HD11 LEU A 78 38.085 1.583 -26.205 1.00 0.00 H new ATOM 0 HD12 LEU A 78 38.469 2.950 -25.132 1.00 0.00 H new ATOM 0 HD13 LEU A 78 39.726 1.758 -25.539 1.00 0.00 H new ATOM 0 HD21 LEU A 78 37.938 -0.727 -25.283 1.00 0.00 H new ATOM 0 HD22 LEU A 78 39.582 -0.567 -24.622 1.00 0.00 H new ATOM 0 HD23 LEU A 78 38.233 -1.018 -23.552 1.00 0.00 H new ATOM 1143 N ASP A 79 37.956 1.231 -19.691 1.00 0.00 N ATOM 1144 CA ASP A 79 37.956 1.909 -18.381 1.00 0.00 C ATOM 1145 C ASP A 79 38.091 0.867 -17.278 1.00 0.00 C ATOM 1146 O ASP A 79 38.710 1.087 -16.256 1.00 0.00 O ATOM 1147 CB ASP A 79 36.619 2.621 -18.224 1.00 0.00 C ATOM 1148 CG ASP A 79 36.813 3.915 -17.431 1.00 0.00 C ATOM 1149 OD1 ASP A 79 37.954 4.292 -17.222 1.00 0.00 O ATOM 1150 OD2 ASP A 79 35.816 4.507 -17.049 1.00 0.00 O ATOM 0 H ASP A 79 37.061 0.822 -19.961 1.00 0.00 H new ATOM 0 HA ASP A 79 38.782 2.617 -18.317 1.00 0.00 H new ATOM 0 HB2 ASP A 79 36.198 2.844 -19.204 1.00 0.00 H new ATOM 0 HB3 ASP A 79 35.909 1.972 -17.712 1.00 0.00 H new ATOM 1155 N GLN A 80 37.486 -0.263 -17.489 1.00 0.00 N ATOM 1156 CA GLN A 80 37.524 -1.350 -16.484 1.00 0.00 C ATOM 1157 C GLN A 80 38.851 -2.096 -16.583 1.00 0.00 C ATOM 1158 O GLN A 80 39.462 -2.436 -15.590 1.00 0.00 O ATOM 1159 CB GLN A 80 36.381 -2.317 -16.780 1.00 0.00 C ATOM 1160 CG GLN A 80 35.086 -1.534 -16.989 1.00 0.00 C ATOM 1161 CD GLN A 80 34.231 -1.612 -15.724 1.00 0.00 C ATOM 1162 OE1 GLN A 80 33.661 -2.642 -15.423 1.00 0.00 O ATOM 1163 NE2 GLN A 80 34.114 -0.559 -14.964 1.00 0.00 N ATOM 0 H GLN A 80 36.957 -0.482 -18.333 1.00 0.00 H new ATOM 0 HA GLN A 80 37.422 -0.934 -15.481 1.00 0.00 H new ATOM 0 HB2 GLN A 80 36.610 -2.904 -17.669 1.00 0.00 H new ATOM 0 HB3 GLN A 80 36.263 -3.020 -15.955 1.00 0.00 H new ATOM 0 HG2 GLN A 80 35.312 -0.494 -17.224 1.00 0.00 H new ATOM 0 HG3 GLN A 80 34.536 -1.941 -17.838 1.00 0.00 H new ATOM 0 HE21 GLN A 80 34.592 0.307 -15.215 1.00 0.00 H new ATOM 0 HE22 GLN A 80 33.545 -0.601 -14.119 1.00 0.00 H new ATOM 1172 N ALA A 81 39.298 -2.358 -17.777 1.00 0.00 N ATOM 1173 CA ALA A 81 40.584 -3.089 -17.943 1.00 0.00 C ATOM 1174 C ALA A 81 41.742 -2.150 -17.633 1.00 0.00 C ATOM 1175 O ALA A 81 42.854 -2.572 -17.387 1.00 0.00 O ATOM 1176 CB ALA A 81 40.711 -3.566 -19.387 1.00 0.00 C ATOM 0 H ALA A 81 38.830 -2.098 -18.645 1.00 0.00 H new ATOM 0 HA ALA A 81 40.606 -3.943 -17.265 1.00 0.00 H new ATOM 0 HB1 ALA A 81 41.652 -4.102 -19.512 1.00 0.00 H new ATOM 0 HB2 ALA A 81 39.881 -4.231 -19.625 1.00 0.00 H new ATOM 0 HB3 ALA A 81 40.691 -2.707 -20.057 1.00 0.00 H new ATOM 1182 N ALA A 82 41.489 -0.878 -17.666 1.00 0.00 N ATOM 1183 CA ALA A 82 42.564 0.100 -17.401 1.00 0.00 C ATOM 1184 C ALA A 82 42.842 0.200 -15.901 1.00 0.00 C ATOM 1185 O ALA A 82 43.606 1.039 -15.469 1.00 0.00 O ATOM 1186 CB ALA A 82 42.143 1.472 -17.931 1.00 0.00 C ATOM 0 H ALA A 82 40.575 -0.473 -17.867 1.00 0.00 H new ATOM 0 HA ALA A 82 43.472 -0.232 -17.905 1.00 0.00 H new ATOM 0 HB1 ALA A 82 42.935 2.196 -17.737 1.00 0.00 H new ATOM 0 HB2 ALA A 82 41.965 1.408 -19.004 1.00 0.00 H new ATOM 0 HB3 ALA A 82 41.229 1.791 -17.430 1.00 0.00 H new ATOM 1192 N LYS A 83 42.237 -0.632 -15.091 1.00 0.00 N ATOM 1193 CA LYS A 83 42.515 -0.517 -13.629 1.00 0.00 C ATOM 1194 C LYS A 83 41.825 -1.610 -12.815 1.00 0.00 C ATOM 1195 O LYS A 83 41.200 -1.330 -11.811 1.00 0.00 O ATOM 1196 CB LYS A 83 42.013 0.834 -13.136 1.00 0.00 C ATOM 1197 CG LYS A 83 40.482 0.849 -13.174 1.00 0.00 C ATOM 1198 CD LYS A 83 39.993 2.259 -13.511 1.00 0.00 C ATOM 1199 CE LYS A 83 40.182 3.167 -12.295 1.00 0.00 C ATOM 1200 NZ LYS A 83 38.865 3.397 -11.637 1.00 0.00 N ATOM 0 H LYS A 83 41.583 -1.364 -15.367 1.00 0.00 H new ATOM 0 HA LYS A 83 43.591 -0.622 -13.492 1.00 0.00 H new ATOM 0 HB2 LYS A 83 42.365 1.017 -12.121 1.00 0.00 H new ATOM 0 HB3 LYS A 83 42.412 1.633 -13.761 1.00 0.00 H new ATOM 0 HG2 LYS A 83 40.119 0.140 -13.918 1.00 0.00 H new ATOM 0 HG3 LYS A 83 40.081 0.534 -12.211 1.00 0.00 H new ATOM 0 HD2 LYS A 83 40.547 2.654 -14.363 1.00 0.00 H new ATOM 0 HD3 LYS A 83 38.942 2.232 -13.799 1.00 0.00 H new ATOM 0 HE2 LYS A 83 40.877 2.710 -11.591 1.00 0.00 H new ATOM 0 HE3 LYS A 83 40.618 4.118 -12.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 38.993 4.014 -10.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 38.215 3.851 -12.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 38.466 2.487 -11.331 1.00 0.00 H new ATOM 1214 N GLY A 84 41.933 -2.845 -13.200 1.00 0.00 N ATOM 1215 CA GLY A 84 41.280 -3.900 -12.392 1.00 0.00 C ATOM 1216 C GLY A 84 39.828 -4.029 -12.818 1.00 0.00 C ATOM 1217 O GLY A 84 38.931 -3.560 -12.151 1.00 0.00 O ATOM 0 H GLY A 84 42.437 -3.166 -14.026 1.00 0.00 H new ATOM 0 HA2 GLY A 84 41.797 -4.850 -12.527 1.00 0.00 H new ATOM 0 HA3 GLY A 84 41.340 -3.652 -11.332 1.00 0.00 H new ATOM 1221 N TRP A 85 39.613 -4.685 -13.915 1.00 0.00 N ATOM 1222 CA TRP A 85 38.229 -4.912 -14.431 1.00 0.00 C ATOM 1223 C TRP A 85 37.271 -5.129 -13.258 1.00 0.00 C ATOM 1224 O TRP A 85 37.058 -6.237 -12.807 1.00 0.00 O ATOM 1225 CB TRP A 85 38.202 -6.156 -15.321 1.00 0.00 C ATOM 1226 CG TRP A 85 37.883 -5.774 -16.722 1.00 0.00 C ATOM 1227 CD1 TRP A 85 38.740 -5.831 -17.762 1.00 0.00 C ATOM 1228 CD2 TRP A 85 36.627 -5.288 -17.249 1.00 0.00 C ATOM 1229 NE1 TRP A 85 38.080 -5.403 -18.901 1.00 0.00 N ATOM 1230 CE2 TRP A 85 36.772 -5.058 -18.632 1.00 0.00 C ATOM 1231 CE3 TRP A 85 35.391 -5.026 -16.658 1.00 0.00 C ATOM 1232 CZ2 TRP A 85 35.717 -4.583 -19.408 1.00 0.00 C ATOM 1233 CZ3 TRP A 85 34.325 -4.542 -17.431 1.00 0.00 C ATOM 1234 CH2 TRP A 85 34.483 -4.322 -18.803 1.00 0.00 C ATOM 0 H TRP A 85 40.351 -5.086 -14.494 1.00 0.00 H new ATOM 0 HA TRP A 85 37.922 -4.039 -15.007 1.00 0.00 H new ATOM 0 HB2 TRP A 85 39.168 -6.660 -15.284 1.00 0.00 H new ATOM 0 HB3 TRP A 85 37.459 -6.862 -14.950 1.00 0.00 H new ATOM 0 HD1 TRP A 85 39.769 -6.156 -17.714 1.00 0.00 H new ATOM 0 HE1 TRP A 85 38.508 -5.349 -19.825 1.00 0.00 H new ATOM 0 HE3 TRP A 85 35.254 -5.197 -15.600 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 35.851 -4.418 -20.467 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 33.374 -4.337 -16.962 1.00 0.00 H new ATOM 0 HH2 TRP A 85 33.657 -3.953 -19.392 1.00 0.00 H new ATOM 1245 N ALA A 86 36.699 -4.071 -12.764 1.00 0.00 N ATOM 1246 CA ALA A 86 35.759 -4.189 -11.621 1.00 0.00 C ATOM 1247 C ALA A 86 34.544 -5.022 -12.037 1.00 0.00 C ATOM 1248 O ALA A 86 34.045 -5.830 -11.279 1.00 0.00 O ATOM 1249 CB ALA A 86 35.299 -2.795 -11.190 1.00 0.00 C ATOM 0 H ALA A 86 36.844 -3.121 -13.106 1.00 0.00 H new ATOM 0 HA ALA A 86 36.264 -4.678 -10.788 1.00 0.00 H new ATOM 0 HB1 ALA A 86 34.609 -2.883 -10.351 1.00 0.00 H new ATOM 0 HB2 ALA A 86 36.164 -2.204 -10.888 1.00 0.00 H new ATOM 0 HB3 ALA A 86 34.796 -2.304 -12.023 1.00 0.00 H new ATOM 1255 N GLY A 87 34.062 -4.830 -13.234 1.00 0.00 N ATOM 1256 CA GLY A 87 32.883 -5.608 -13.697 1.00 0.00 C ATOM 1257 C GLY A 87 31.826 -5.641 -12.590 1.00 0.00 C ATOM 1258 O GLY A 87 31.434 -4.576 -12.141 1.00 0.00 O ATOM 1259 OXT GLY A 87 31.426 -6.729 -12.211 1.00 0.00 O ATOM 0 H GLY A 87 34.436 -4.166 -13.912 1.00 0.00 H new ATOM 0 HA2 GLY A 87 32.467 -5.157 -14.598 1.00 0.00 H new ATOM 0 HA3 GLY A 87 33.183 -6.623 -13.958 1.00 0.00 H new TER 1263 GLY A 87 HETATM 1264 FE HEC A 88 32.388 -9.604 -26.934 1.00 0.00 FE HETATM 1265 CHA HEC A 88 35.501 -10.300 -28.026 1.00 0.00 C HETATM 1266 CHB HEC A 88 33.421 -6.570 -25.869 1.00 0.00 C HETATM 1267 CHC HEC A 88 29.217 -8.868 -26.046 1.00 0.00 C HETATM 1268 CHD HEC A 88 31.422 -12.736 -27.696 1.00 0.00 C HETATM 1269 NA HEC A 88 34.089 -8.647 -26.941 1.00 0.00 N HETATM 1270 C1A HEC A 88 35.292 -9.071 -27.448 1.00 0.00 C HETATM 1271 C2A HEC A 88 36.323 -8.088 -27.248 1.00 0.00 C HETATM 1272 C3A HEC A 88 35.752 -7.052 -26.601 1.00 0.00 C HETATM 1273 C4A HEC A 88 34.362 -7.400 -26.429 1.00 0.00 C HETATM 1274 CMA HEC A 88 36.434 -5.825 -26.096 1.00 0.00 C HETATM 1275 CAA HEC A 88 37.741 -8.198 -27.676 1.00 0.00 C HETATM 1276 CBA HEC A 88 37.915 -7.880 -29.156 1.00 0.00 C HETATM 1277 CGA HEC A 88 39.381 -8.079 -29.501 1.00 0.00 C HETATM 1278 O1A HEC A 88 39.739 -9.209 -29.929 1.00 0.00 O HETATM 1279 O2A HEC A 88 40.164 -7.105 -29.343 1.00 0.00 O HETATM 1280 NB HEC A 88 31.507 -8.048 -26.152 1.00 0.00 N HETATM 1281 C1B HEC A 88 32.083 -6.872 -25.734 1.00 0.00 C HETATM 1282 C2B HEC A 88 31.100 -5.983 -25.167 1.00 0.00 C HETATM 1283 C3B HEC A 88 29.906 -6.610 -25.277 1.00 0.00 C HETATM 1284 C4B HEC A 88 30.172 -7.892 -25.870 1.00 0.00 C HETATM 1285 CMB HEC A 88 31.368 -4.692 -24.473 1.00 0.00 C HETATM 1286 CAB HEC A 88 28.567 -5.992 -25.110 1.00 0.00 C HETATM 1287 CBB HEC A 88 28.331 -4.935 -26.188 1.00 0.00 C HETATM 1288 NC HEC A 88 30.705 -10.586 -26.875 1.00 0.00 N HETATM 1289 C1C HEC A 88 29.468 -10.132 -26.505 1.00 0.00 C HETATM 1290 C2C HEC A 88 28.478 -11.175 -26.608 1.00 0.00 C HETATM 1291 C3C HEC A 88 29.128 -12.275 -27.042 1.00 0.00 C HETATM 1292 C4C HEC A 88 30.487 -11.893 -27.205 1.00 0.00 C HETATM 1293 CMC HEC A 88 27.025 -11.059 -26.290 1.00 0.00 C HETATM 1294 CAC HEC A 88 28.653 -13.674 -26.941 1.00 0.00 C HETATM 1295 CBC HEC A 88 28.909 -14.441 -28.240 1.00 0.00 C HETATM 1296 ND HEC A 88 33.265 -11.173 -27.700 1.00 0.00 N HETATM 1297 C1D HEC A 88 32.721 -12.410 -27.943 1.00 0.00 C HETATM 1298 C2D HEC A 88 33.670 -13.301 -28.550 1.00 0.00 C HETATM 1299 C3D HEC A 88 34.809 -12.595 -28.696 1.00 0.00 C HETATM 1300 C4D HEC A 88 34.554 -11.286 -28.147 1.00 0.00 C HETATM 1301 CMD HEC A 88 33.426 -14.720 -28.945 1.00 0.00 C HETATM 1302 CAD HEC A 88 36.033 -13.026 -29.414 1.00 0.00 C HETATM 1303 CBD HEC A 88 35.931 -12.680 -30.900 1.00 0.00 C HETATM 1304 CGD HEC A 88 37.087 -11.755 -31.259 1.00 0.00 C HETATM 1305 O1D HEC A 88 36.906 -10.513 -31.165 1.00 0.00 O HETATM 1306 O2D HEC A 88 38.171 -12.282 -31.631 1.00 0.00 O HETATM 0 HMD3 HEC A 88 33.145 -15.299 -28.065 1.00 0.00 H new HETATM 0 HMD2 HEC A 88 32.620 -14.760 -29.678 1.00 0.00 H new HETATM 0 HMD1 HEC A 88 34.334 -15.138 -29.380 1.00 0.00 H new HETATM 0 HMC3 HEC A 88 26.903 -10.777 -25.244 1.00 0.00 H new HETATM 0 HMC2 HEC A 88 26.573 -10.298 -26.926 1.00 0.00 H new HETATM 0 HMC1 HEC A 88 26.536 -12.017 -26.467 1.00 0.00 H new HETATM 0 HMB3 HEC A 88 31.997 -4.871 -23.601 1.00 0.00 H new HETATM 0 HMB2 HEC A 88 31.878 -4.012 -25.155 1.00 0.00 H new HETATM 0 HMB1 HEC A 88 30.425 -4.247 -24.155 1.00 0.00 H new HETATM 0 HMA3 HEC A 88 37.199 -6.106 -25.372 1.00 0.00 H new HETATM 0 HMA2 HEC A 88 36.899 -5.298 -26.929 1.00 0.00 H new HETATM 0 HMA1 HEC A 88 35.703 -5.173 -25.617 1.00 0.00 H new HETATM 0 HBD2 HEC A 88 35.969 -13.587 -31.504 1.00 0.00 H new HETATM 0 HBD1 HEC A 88 34.978 -12.196 -31.112 1.00 0.00 H new HETATM 0 HBC3 HEC A 88 28.382 -13.954 -29.060 1.00 0.00 H new HETATM 0 HBC2 HEC A 88 29.978 -14.452 -28.451 1.00 0.00 H new HETATM 0 HBC1 HEC A 88 28.550 -15.465 -28.135 1.00 0.00 H new HETATM 0 HBB3 HEC A 88 29.092 -4.159 -26.110 1.00 0.00 H new HETATM 0 HBB2 HEC A 88 28.387 -5.400 -27.172 1.00 0.00 H new HETATM 0 HBB1 HEC A 88 27.345 -4.491 -26.052 1.00 0.00 H new HETATM 0 HBA2 HEC A 88 37.287 -8.532 -29.764 1.00 0.00 H new HETATM 0 HBA1 HEC A 88 37.608 -6.855 -29.366 1.00 0.00 H new HETATM 0 HAD2 HEC A 88 36.907 -12.539 -28.980 1.00 0.00 H new HETATM 0 HAD1 HEC A 88 36.174 -14.100 -29.293 1.00 0.00 H new HETATM 0 HAA2 HEC A 88 38.353 -7.517 -27.084 1.00 0.00 H new HETATM 0 HAA1 HEC A 88 38.103 -9.207 -27.477 1.00 0.00 H new HETATM 0 HHD HEC A 88 31.112 -13.758 -27.912 1.00 0.00 H new HETATM 0 HHC HEC A 88 28.185 -8.615 -25.802 1.00 0.00 H new HETATM 0 HHB HEC A 88 33.758 -5.600 -25.504 1.00 0.00 H new HETATM 0 HHA HEC A 88 36.496 -10.508 -28.419 1.00 0.00 H new HETATM 0 H2D HEC A 88 38.738 -11.602 -32.052 1.00 0.00 H new HETATM 0 H2A HEC A 88 41.049 -7.436 -29.081 1.00 0.00 H new