USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=15 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 -107:sc= 0.646 USER MOD Set 1.2: A 80 GLN : amide:sc= -5.06! C(o=-4.4!,f=-10!) USER MOD Set 2.1: A 5 ASN : amide:sc= -0.0223 K(o=-13,f=-20) USER MOD Set 2.2: A 8 LYS NZ :NH3+ -158:sc= -0.643 (180deg=-2.24!) USER MOD Set 2.3: A 66 THR OG1 : rot 180:sc= 0.0468 USER MOD Set 2.4: A 69 GLN : amide:sc= -12.4! C(o=-13!,f=-13!) USER MOD Set 3.1: A 50 GLN : amide:sc= -9.88! C(o=-8!,f=-3!) USER MOD Set 3.2: A 88 HEC O2A : rot -29:sc= 1.1 USER MOD Set 3.3: A 88 HEC O2D : rot 81:sc= 0.793 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 108:sc= 0.919 USER MOD Single : A 13 ASN : amide:sc= -5! C(o=-5!,f=-7.7!) USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.561 K(o=-0.56,f=-4.1!) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -2.62! C(o=-2.6!,f=-2.6!) USER MOD Single : A 29 LYS NZ :NH3+ 147:sc= 0.467 (180deg=0.0749) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -4.54! C(o=-4.5!,f=-2.5!) USER MOD Single : A 41 MET CE :methyl 169:sc= -9.7! (180deg=-10.1!) USER MOD Single : A 42 TYR OH : rot -47:sc= 0.0244 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.955 K(o=-0.96,f=-0.16) USER MOD Single : A 53 HIS : no HE2:sc= -20.1! C(o=-20!,f=-18!) USER MOD Single : A 55 LYS NZ :NH3+ -143:sc= -0.0311 (180deg=-1.28) USER MOD Single : A 56 ASN : amide:sc= -0.0444 X(o=-0.044,f=0) USER MOD Single : A 58 MET CE :methyl 164:sc= -9.17! (180deg=-10.8!) USER MOD Single : A 71 GLN : amide:sc= -3.97! C(o=-4!,f=-4.6!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 28.261 12.092 -21.154 1.00 0.00 N ATOM 2 CA ALA A 1 28.552 10.681 -21.536 1.00 0.00 C ATOM 3 C ALA A 1 29.730 10.164 -20.708 1.00 0.00 C ATOM 4 O ALA A 1 30.853 10.601 -20.867 1.00 0.00 O ATOM 5 CB ALA A 1 28.906 10.619 -23.024 1.00 0.00 C ATOM 0 H1 ALA A 1 27.460 12.446 -21.716 1.00 0.00 H new ATOM 0 H2 ALA A 1 28.021 12.135 -20.143 1.00 0.00 H new ATOM 0 H3 ALA A 1 29.099 12.681 -21.336 1.00 0.00 H new ATOM 0 HA ALA A 1 27.675 10.063 -21.346 1.00 0.00 H new ATOM 0 HB1 ALA A 1 29.119 9.588 -23.305 1.00 0.00 H new ATOM 0 HB2 ALA A 1 28.067 10.990 -23.613 1.00 0.00 H new ATOM 0 HB3 ALA A 1 29.784 11.236 -23.215 1.00 0.00 H new ATOM 13 N ASP A 2 29.483 9.237 -19.822 1.00 0.00 N ATOM 14 CA ASP A 2 30.586 8.695 -18.981 1.00 0.00 C ATOM 15 C ASP A 2 30.681 7.184 -19.181 1.00 0.00 C ATOM 16 O ASP A 2 29.725 6.541 -19.565 1.00 0.00 O ATOM 17 CB ASP A 2 30.280 8.978 -17.512 1.00 0.00 C ATOM 18 CG ASP A 2 29.711 10.390 -17.372 1.00 0.00 C ATOM 19 OD1 ASP A 2 30.465 11.331 -17.556 1.00 0.00 O ATOM 20 OD2 ASP A 2 28.531 10.507 -17.085 1.00 0.00 O ATOM 0 H ASP A 2 28.564 8.832 -19.645 1.00 0.00 H new ATOM 0 HA ASP A 2 31.527 9.166 -19.266 1.00 0.00 H new ATOM 0 HB2 ASP A 2 29.566 8.248 -17.131 1.00 0.00 H new ATOM 0 HB3 ASP A 2 31.187 8.879 -16.915 1.00 0.00 H new ATOM 25 N LEU A 3 31.815 6.600 -18.901 1.00 0.00 N ATOM 26 CA LEU A 3 31.931 5.125 -19.060 1.00 0.00 C ATOM 27 C LEU A 3 31.148 4.450 -17.935 1.00 0.00 C ATOM 28 O LEU A 3 31.014 3.244 -17.897 1.00 0.00 O ATOM 29 CB LEU A 3 33.400 4.690 -18.997 1.00 0.00 C ATOM 30 CG LEU A 3 34.249 5.472 -20.012 1.00 0.00 C ATOM 31 CD1 LEU A 3 35.433 4.605 -20.447 1.00 0.00 C ATOM 32 CD2 LEU A 3 33.417 5.839 -21.246 1.00 0.00 C ATOM 0 H LEU A 3 32.656 7.075 -18.573 1.00 0.00 H new ATOM 0 HA LEU A 3 31.528 4.834 -20.030 1.00 0.00 H new ATOM 0 HB2 LEU A 3 33.788 4.852 -17.991 1.00 0.00 H new ATOM 0 HB3 LEU A 3 33.476 3.622 -19.200 1.00 0.00 H new ATOM 0 HG LEU A 3 34.602 6.390 -19.541 1.00 0.00 H new ATOM 0 HD11 LEU A 3 36.040 5.153 -21.167 1.00 0.00 H new ATOM 0 HD12 LEU A 3 36.040 4.355 -19.577 1.00 0.00 H new ATOM 0 HD13 LEU A 3 35.063 3.689 -20.907 1.00 0.00 H new ATOM 0 HD21 LEU A 3 34.037 6.392 -21.952 1.00 0.00 H new ATOM 0 HD22 LEU A 3 33.050 4.929 -21.721 1.00 0.00 H new ATOM 0 HD23 LEU A 3 32.572 6.457 -20.944 1.00 0.00 H new ATOM 44 N ALA A 4 30.604 5.222 -17.029 1.00 0.00 N ATOM 45 CA ALA A 4 29.805 4.622 -15.941 1.00 0.00 C ATOM 46 C ALA A 4 28.606 3.978 -16.610 1.00 0.00 C ATOM 47 O ALA A 4 28.099 2.955 -16.192 1.00 0.00 O ATOM 48 CB ALA A 4 29.341 5.716 -14.978 1.00 0.00 C ATOM 0 H ALA A 4 30.683 6.239 -17.003 1.00 0.00 H new ATOM 0 HA ALA A 4 30.382 3.895 -15.369 1.00 0.00 H new ATOM 0 HB1 ALA A 4 28.752 5.270 -14.177 1.00 0.00 H new ATOM 0 HB2 ALA A 4 30.210 6.219 -14.553 1.00 0.00 H new ATOM 0 HB3 ALA A 4 28.730 6.440 -15.517 1.00 0.00 H new ATOM 54 N ASN A 5 28.184 4.579 -17.683 1.00 0.00 N ATOM 55 CA ASN A 5 27.049 4.047 -18.462 1.00 0.00 C ATOM 56 C ASN A 5 27.518 2.774 -19.167 1.00 0.00 C ATOM 57 O ASN A 5 26.745 1.882 -19.455 1.00 0.00 O ATOM 58 CB ASN A 5 26.646 5.104 -19.488 1.00 0.00 C ATOM 59 CG ASN A 5 25.166 5.452 -19.321 1.00 0.00 C ATOM 60 OD1 ASN A 5 24.468 5.668 -20.291 1.00 0.00 O ATOM 61 ND2 ASN A 5 24.653 5.522 -18.122 1.00 0.00 N ATOM 0 H ASN A 5 28.591 5.436 -18.057 1.00 0.00 H new ATOM 0 HA ASN A 5 26.195 3.816 -17.825 1.00 0.00 H new ATOM 0 HB2 ASN A 5 27.256 5.998 -19.361 1.00 0.00 H new ATOM 0 HB3 ASN A 5 26.830 4.734 -20.496 1.00 0.00 H new ATOM 0 HD21 ASN A 5 23.668 5.758 -18.002 1.00 0.00 H new ATOM 0 HD22 ASN A 5 25.237 5.341 -17.306 1.00 0.00 H new ATOM 68 N GLY A 6 28.796 2.685 -19.432 1.00 0.00 N ATOM 69 CA GLY A 6 29.346 1.472 -20.098 1.00 0.00 C ATOM 70 C GLY A 6 29.064 0.259 -19.214 1.00 0.00 C ATOM 71 O GLY A 6 28.525 -0.719 -19.661 1.00 0.00 O ATOM 0 H GLY A 6 29.484 3.406 -19.213 1.00 0.00 H new ATOM 0 HA2 GLY A 6 28.889 1.339 -21.079 1.00 0.00 H new ATOM 0 HA3 GLY A 6 30.419 1.582 -20.258 1.00 0.00 H new ATOM 75 N ALA A 7 29.424 0.324 -17.958 1.00 0.00 N ATOM 76 CA ALA A 7 29.167 -0.821 -17.034 1.00 0.00 C ATOM 77 C ALA A 7 27.712 -1.252 -17.147 1.00 0.00 C ATOM 78 O ALA A 7 27.363 -2.361 -16.808 1.00 0.00 O ATOM 79 CB ALA A 7 29.481 -0.403 -15.599 1.00 0.00 C ATOM 0 H ALA A 7 29.888 1.126 -17.531 1.00 0.00 H new ATOM 0 HA ALA A 7 29.808 -1.659 -17.307 1.00 0.00 H new ATOM 0 HB1 ALA A 7 29.293 -1.240 -14.927 1.00 0.00 H new ATOM 0 HB2 ALA A 7 30.528 -0.108 -15.527 1.00 0.00 H new ATOM 0 HB3 ALA A 7 28.847 0.438 -15.318 1.00 0.00 H new ATOM 85 N LYS A 8 26.865 -0.401 -17.647 1.00 0.00 N ATOM 86 CA LYS A 8 25.449 -0.792 -17.822 1.00 0.00 C ATOM 87 C LYS A 8 25.377 -1.563 -19.139 1.00 0.00 C ATOM 88 O LYS A 8 24.757 -2.603 -19.242 1.00 0.00 O ATOM 89 CB LYS A 8 24.568 0.467 -17.870 1.00 0.00 C ATOM 90 CG LYS A 8 23.361 0.259 -18.802 1.00 0.00 C ATOM 91 CD LYS A 8 23.633 0.934 -20.152 1.00 0.00 C ATOM 92 CE LYS A 8 23.996 2.397 -19.917 1.00 0.00 C ATOM 93 NZ LYS A 8 22.977 3.269 -20.567 1.00 0.00 N ATOM 0 H LYS A 8 27.095 0.548 -17.941 1.00 0.00 H new ATOM 0 HA LYS A 8 25.090 -1.408 -16.997 1.00 0.00 H new ATOM 0 HB2 LYS A 8 24.220 0.710 -16.866 1.00 0.00 H new ATOM 0 HB3 LYS A 8 25.158 1.315 -18.217 1.00 0.00 H new ATOM 0 HG2 LYS A 8 23.179 -0.806 -18.946 1.00 0.00 H new ATOM 0 HG3 LYS A 8 22.462 0.677 -18.349 1.00 0.00 H new ATOM 0 HD2 LYS A 8 24.445 0.424 -20.670 1.00 0.00 H new ATOM 0 HD3 LYS A 8 22.753 0.863 -20.791 1.00 0.00 H new ATOM 0 HE2 LYS A 8 24.041 2.605 -18.848 1.00 0.00 H new ATOM 0 HE3 LYS A 8 24.985 2.608 -20.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 23.385 4.210 -20.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 22.684 2.847 -21.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 22.149 3.360 -19.944 1.00 0.00 H new ATOM 107 N VAL A 9 26.045 -1.056 -20.137 1.00 0.00 N ATOM 108 CA VAL A 9 26.074 -1.735 -21.458 1.00 0.00 C ATOM 109 C VAL A 9 26.733 -3.098 -21.297 1.00 0.00 C ATOM 110 O VAL A 9 26.504 -4.009 -22.064 1.00 0.00 O ATOM 111 CB VAL A 9 26.921 -0.904 -22.421 1.00 0.00 C ATOM 112 CG1 VAL A 9 26.674 -1.376 -23.856 1.00 0.00 C ATOM 113 CG2 VAL A 9 26.542 0.565 -22.291 1.00 0.00 C ATOM 0 H VAL A 9 26.579 -0.188 -20.091 1.00 0.00 H new ATOM 0 HA VAL A 9 25.059 -1.846 -21.841 1.00 0.00 H new ATOM 0 HB VAL A 9 27.976 -1.027 -22.178 1.00 0.00 H new ATOM 0 HG11 VAL A 9 27.278 -0.783 -24.543 1.00 0.00 H new ATOM 0 HG12 VAL A 9 26.948 -2.427 -23.946 1.00 0.00 H new ATOM 0 HG13 VAL A 9 25.619 -1.254 -24.103 1.00 0.00 H new ATOM 0 HG21 VAL A 9 27.146 1.159 -22.978 1.00 0.00 H new ATOM 0 HG22 VAL A 9 25.487 0.691 -22.533 1.00 0.00 H new ATOM 0 HG23 VAL A 9 26.722 0.898 -21.269 1.00 0.00 H new ATOM 123 N PHE A 10 27.579 -3.228 -20.318 1.00 0.00 N ATOM 124 CA PHE A 10 28.288 -4.509 -20.110 1.00 0.00 C ATOM 125 C PHE A 10 27.642 -5.303 -18.976 1.00 0.00 C ATOM 126 O PHE A 10 27.769 -6.508 -18.892 1.00 0.00 O ATOM 127 CB PHE A 10 29.742 -4.199 -19.771 1.00 0.00 C ATOM 128 CG PHE A 10 30.453 -5.488 -19.501 1.00 0.00 C ATOM 129 CD1 PHE A 10 30.223 -6.138 -18.298 1.00 0.00 C ATOM 130 CD2 PHE A 10 31.320 -6.043 -20.449 1.00 0.00 C ATOM 131 CE1 PHE A 10 30.852 -7.340 -18.027 1.00 0.00 C ATOM 132 CE2 PHE A 10 31.956 -7.258 -20.178 1.00 0.00 C ATOM 133 CZ PHE A 10 31.721 -7.908 -18.963 1.00 0.00 C ATOM 0 H PHE A 10 27.809 -2.493 -19.649 1.00 0.00 H new ATOM 0 HA PHE A 10 28.232 -5.113 -21.015 1.00 0.00 H new ATOM 0 HB2 PHE A 10 30.218 -3.669 -20.596 1.00 0.00 H new ATOM 0 HB3 PHE A 10 29.797 -3.547 -18.899 1.00 0.00 H new ATOM 0 HD1 PHE A 10 29.552 -5.705 -17.571 1.00 0.00 H new ATOM 0 HD2 PHE A 10 31.497 -5.535 -21.386 1.00 0.00 H new ATOM 0 HE1 PHE A 10 30.671 -7.842 -17.088 1.00 0.00 H new ATOM 0 HE2 PHE A 10 32.626 -7.693 -20.905 1.00 0.00 H new ATOM 0 HZ PHE A 10 32.210 -8.847 -18.748 1.00 0.00 H new ATOM 143 N SER A 11 26.947 -4.639 -18.112 1.00 0.00 N ATOM 144 CA SER A 11 26.281 -5.342 -16.978 1.00 0.00 C ATOM 145 C SER A 11 24.889 -5.798 -17.415 1.00 0.00 C ATOM 146 O SER A 11 24.011 -6.018 -16.604 1.00 0.00 O ATOM 147 CB SER A 11 26.150 -4.391 -15.786 1.00 0.00 C ATOM 148 OG SER A 11 27.440 -4.105 -15.264 1.00 0.00 O ATOM 0 H SER A 11 26.805 -3.629 -18.136 1.00 0.00 H new ATOM 0 HA SER A 11 26.879 -6.206 -16.687 1.00 0.00 H new ATOM 0 HB2 SER A 11 25.659 -3.469 -16.095 1.00 0.00 H new ATOM 0 HB3 SER A 11 25.526 -4.842 -15.015 1.00 0.00 H new ATOM 0 HG SER A 11 27.690 -3.186 -15.494 1.00 0.00 H new ATOM 154 N GLY A 12 24.679 -5.938 -18.694 1.00 0.00 N ATOM 155 CA GLY A 12 23.348 -6.374 -19.183 1.00 0.00 C ATOM 156 C GLY A 12 23.406 -6.799 -20.659 1.00 0.00 C ATOM 157 O GLY A 12 22.568 -7.546 -21.122 1.00 0.00 O ATOM 0 H GLY A 12 25.375 -5.768 -19.420 1.00 0.00 H new ATOM 0 HA2 GLY A 12 22.990 -7.206 -18.577 1.00 0.00 H new ATOM 0 HA3 GLY A 12 22.631 -5.562 -19.064 1.00 0.00 H new ATOM 161 N ASN A 13 24.367 -6.329 -21.411 1.00 0.00 N ATOM 162 CA ASN A 13 24.435 -6.713 -22.848 1.00 0.00 C ATOM 163 C ASN A 13 25.790 -7.359 -23.156 1.00 0.00 C ATOM 164 O ASN A 13 26.019 -7.853 -24.241 1.00 0.00 O ATOM 165 CB ASN A 13 24.265 -5.456 -23.704 1.00 0.00 C ATOM 166 CG ASN A 13 23.275 -4.505 -23.023 1.00 0.00 C ATOM 167 OD1 ASN A 13 22.169 -4.320 -23.491 1.00 0.00 O ATOM 168 ND2 ASN A 13 23.628 -3.888 -21.927 1.00 0.00 N ATOM 0 H ASN A 13 25.103 -5.699 -21.092 1.00 0.00 H new ATOM 0 HA ASN A 13 23.644 -7.429 -23.071 1.00 0.00 H new ATOM 0 HB2 ASN A 13 25.227 -4.962 -23.838 1.00 0.00 H new ATOM 0 HB3 ASN A 13 23.903 -5.725 -24.697 1.00 0.00 H new ATOM 0 HD21 ASN A 13 22.976 -3.253 -21.467 1.00 0.00 H new ATOM 0 HD22 ASN A 13 24.556 -4.041 -21.532 1.00 0.00 H new ATOM 175 N CYS A 14 26.693 -7.348 -22.213 1.00 0.00 N ATOM 176 CA CYS A 14 28.039 -7.946 -22.457 1.00 0.00 C ATOM 177 C CYS A 14 28.377 -8.957 -21.354 1.00 0.00 C ATOM 178 O CYS A 14 29.198 -9.834 -21.533 1.00 0.00 O ATOM 179 CB CYS A 14 29.077 -6.825 -22.448 1.00 0.00 C ATOM 180 SG CYS A 14 28.437 -5.403 -23.377 1.00 0.00 S ATOM 0 H CYS A 14 26.558 -6.951 -21.283 1.00 0.00 H new ATOM 0 HA CYS A 14 28.041 -8.460 -23.418 1.00 0.00 H new ATOM 0 HB2 CYS A 14 29.303 -6.532 -21.423 1.00 0.00 H new ATOM 0 HB3 CYS A 14 30.009 -7.174 -22.892 1.00 0.00 H new ATOM 185 N ALA A 15 27.764 -8.825 -20.214 1.00 0.00 N ATOM 186 CA ALA A 15 28.047 -9.757 -19.085 1.00 0.00 C ATOM 187 C ALA A 15 27.762 -11.211 -19.494 1.00 0.00 C ATOM 188 O ALA A 15 28.452 -12.126 -19.088 1.00 0.00 O ATOM 189 CB ALA A 15 27.152 -9.388 -17.900 1.00 0.00 C ATOM 0 H ALA A 15 27.071 -8.104 -20.012 1.00 0.00 H new ATOM 0 HA ALA A 15 29.099 -9.670 -18.812 1.00 0.00 H new ATOM 0 HB1 ALA A 15 27.352 -10.064 -17.069 1.00 0.00 H new ATOM 0 HB2 ALA A 15 27.360 -8.363 -17.592 1.00 0.00 H new ATOM 0 HB3 ALA A 15 26.106 -9.473 -18.194 1.00 0.00 H new ATOM 195 N ALA A 16 26.736 -11.430 -20.268 1.00 0.00 N ATOM 196 CA ALA A 16 26.374 -12.824 -20.678 1.00 0.00 C ATOM 197 C ALA A 16 27.486 -13.480 -21.510 1.00 0.00 C ATOM 198 O ALA A 16 27.445 -14.665 -21.772 1.00 0.00 O ATOM 199 CB ALA A 16 25.087 -12.783 -21.503 1.00 0.00 C ATOM 0 H ALA A 16 26.126 -10.701 -20.639 1.00 0.00 H new ATOM 0 HA ALA A 16 26.235 -13.418 -19.775 1.00 0.00 H new ATOM 0 HB1 ALA A 16 24.816 -13.795 -21.806 1.00 0.00 H new ATOM 0 HB2 ALA A 16 24.283 -12.357 -20.903 1.00 0.00 H new ATOM 0 HB3 ALA A 16 25.243 -12.168 -22.390 1.00 0.00 H new ATOM 205 N CYS A 17 28.470 -12.739 -21.936 1.00 0.00 N ATOM 206 CA CYS A 17 29.558 -13.359 -22.755 1.00 0.00 C ATOM 207 C CYS A 17 30.907 -12.777 -22.357 1.00 0.00 C ATOM 208 O CYS A 17 31.869 -12.857 -23.094 1.00 0.00 O ATOM 209 CB CYS A 17 29.308 -13.072 -24.221 1.00 0.00 C ATOM 210 SG CYS A 17 27.839 -13.993 -24.764 1.00 0.00 S ATOM 0 H CYS A 17 28.571 -11.740 -21.757 1.00 0.00 H new ATOM 0 HA CYS A 17 29.564 -14.435 -22.581 1.00 0.00 H new ATOM 0 HB2 CYS A 17 29.160 -12.003 -24.375 1.00 0.00 H new ATOM 0 HB3 CYS A 17 30.175 -13.363 -24.814 1.00 0.00 H new ATOM 215 N HIS A 18 30.989 -12.185 -21.203 1.00 0.00 N ATOM 216 CA HIS A 18 32.282 -11.596 -20.773 1.00 0.00 C ATOM 217 C HIS A 18 32.292 -11.458 -19.249 1.00 0.00 C ATOM 218 O HIS A 18 33.188 -11.932 -18.582 1.00 0.00 O ATOM 219 CB HIS A 18 32.454 -10.224 -21.437 1.00 0.00 C ATOM 220 CG HIS A 18 32.580 -10.390 -22.916 1.00 0.00 C ATOM 221 ND1 HIS A 18 33.811 -10.536 -23.519 1.00 0.00 N ATOM 222 CD2 HIS A 18 31.655 -10.427 -23.927 1.00 0.00 C ATOM 223 CE1 HIS A 18 33.605 -10.658 -24.834 1.00 0.00 C ATOM 224 NE2 HIS A 18 32.307 -10.602 -25.143 1.00 0.00 N ATOM 0 H HIS A 18 30.220 -12.083 -20.541 1.00 0.00 H new ATOM 0 HA HIS A 18 33.108 -12.241 -21.073 1.00 0.00 H new ATOM 0 HB2 HIS A 18 31.600 -9.588 -21.205 1.00 0.00 H new ATOM 0 HB3 HIS A 18 33.339 -9.726 -21.041 1.00 0.00 H new ATOM 0 HD1 HIS A 18 34.715 -10.549 -23.047 1.00 0.00 H new ATOM 0 HD2 HIS A 18 30.587 -10.335 -23.799 1.00 0.00 H new ATOM 0 HE1 HIS A 18 34.394 -10.787 -25.560 1.00 0.00 H new ATOM 232 N MET A 19 31.290 -10.819 -18.706 1.00 0.00 N ATOM 233 CA MET A 19 31.192 -10.636 -17.222 1.00 0.00 C ATOM 234 C MET A 19 32.580 -10.435 -16.606 1.00 0.00 C ATOM 235 O MET A 19 33.301 -11.380 -16.355 1.00 0.00 O ATOM 236 CB MET A 19 30.530 -11.866 -16.595 1.00 0.00 C ATOM 237 CG MET A 19 30.987 -13.129 -17.325 1.00 0.00 C ATOM 238 SD MET A 19 30.342 -14.586 -16.465 1.00 0.00 S ATOM 239 CE MET A 19 30.761 -15.807 -17.733 1.00 0.00 C ATOM 0 H MET A 19 30.521 -10.408 -19.235 1.00 0.00 H new ATOM 0 HA MET A 19 30.590 -9.749 -17.023 1.00 0.00 H new ATOM 0 HB2 MET A 19 30.790 -11.931 -15.539 1.00 0.00 H new ATOM 0 HB3 MET A 19 29.445 -11.775 -16.651 1.00 0.00 H new ATOM 0 HG2 MET A 19 30.633 -13.115 -18.356 1.00 0.00 H new ATOM 0 HG3 MET A 19 32.076 -13.167 -17.362 1.00 0.00 H new ATOM 0 HE1 MET A 19 30.446 -16.797 -17.403 1.00 0.00 H new ATOM 0 HE2 MET A 19 30.252 -15.555 -18.663 1.00 0.00 H new ATOM 0 HE3 MET A 19 31.839 -15.806 -17.897 1.00 0.00 H new ATOM 249 N GLY A 20 32.956 -9.211 -16.351 1.00 0.00 N ATOM 250 CA GLY A 20 34.295 -8.957 -15.750 1.00 0.00 C ATOM 251 C GLY A 20 35.364 -9.212 -16.810 1.00 0.00 C ATOM 252 O GLY A 20 36.296 -9.961 -16.598 1.00 0.00 O ATOM 0 H GLY A 20 32.395 -8.379 -16.533 1.00 0.00 H new ATOM 0 HA2 GLY A 20 34.358 -7.931 -15.389 1.00 0.00 H new ATOM 0 HA3 GLY A 20 34.453 -9.608 -14.890 1.00 0.00 H new ATOM 256 N GLY A 21 35.223 -8.593 -17.953 1.00 0.00 N ATOM 257 CA GLY A 21 36.203 -8.784 -19.050 1.00 0.00 C ATOM 258 C GLY A 21 36.683 -10.238 -19.081 1.00 0.00 C ATOM 259 O GLY A 21 37.720 -10.570 -18.544 1.00 0.00 O ATOM 0 H GLY A 21 34.457 -7.955 -18.171 1.00 0.00 H new ATOM 0 HA2 GLY A 21 35.747 -8.523 -20.005 1.00 0.00 H new ATOM 0 HA3 GLY A 21 37.052 -8.116 -18.910 1.00 0.00 H new ATOM 263 N GLY A 22 35.938 -11.107 -19.707 1.00 0.00 N ATOM 264 CA GLY A 22 36.359 -12.535 -19.770 1.00 0.00 C ATOM 265 C GLY A 22 35.608 -13.241 -20.897 1.00 0.00 C ATOM 266 O GLY A 22 34.511 -13.730 -20.714 1.00 0.00 O ATOM 0 H GLY A 22 35.059 -10.891 -20.176 1.00 0.00 H new ATOM 0 HA2 GLY A 22 37.434 -12.601 -19.939 1.00 0.00 H new ATOM 0 HA3 GLY A 22 36.155 -13.027 -18.819 1.00 0.00 H new ATOM 270 N ASN A 23 36.196 -13.299 -22.059 1.00 0.00 N ATOM 271 CA ASN A 23 35.531 -13.973 -23.208 1.00 0.00 C ATOM 272 C ASN A 23 34.844 -15.255 -22.731 1.00 0.00 C ATOM 273 O ASN A 23 35.188 -15.808 -21.706 1.00 0.00 O ATOM 274 CB ASN A 23 36.585 -14.314 -24.259 1.00 0.00 C ATOM 275 CG ASN A 23 35.938 -14.340 -25.645 1.00 0.00 C ATOM 276 OD1 ASN A 23 35.303 -15.308 -26.015 1.00 0.00 O ATOM 277 ND2 ASN A 23 36.069 -13.308 -26.432 1.00 0.00 N ATOM 0 H ASN A 23 37.115 -12.906 -22.263 1.00 0.00 H new ATOM 0 HA ASN A 23 34.781 -13.310 -23.639 1.00 0.00 H new ATOM 0 HB2 ASN A 23 37.388 -13.578 -24.235 1.00 0.00 H new ATOM 0 HB3 ASN A 23 37.034 -15.282 -24.038 1.00 0.00 H new ATOM 0 HD21 ASN A 23 35.639 -13.314 -27.357 1.00 0.00 H new ATOM 0 HD22 ASN A 23 36.602 -12.495 -26.123 1.00 0.00 H new ATOM 284 N VAL A 24 33.869 -15.724 -23.459 1.00 0.00 N ATOM 285 CA VAL A 24 33.156 -16.961 -23.039 1.00 0.00 C ATOM 286 C VAL A 24 33.282 -18.027 -24.132 1.00 0.00 C ATOM 287 O VAL A 24 33.109 -19.204 -23.884 1.00 0.00 O ATOM 288 CB VAL A 24 31.679 -16.627 -22.813 1.00 0.00 C ATOM 289 CG1 VAL A 24 31.156 -15.808 -23.994 1.00 0.00 C ATOM 290 CG2 VAL A 24 30.872 -17.919 -22.695 1.00 0.00 C ATOM 0 H VAL A 24 33.536 -15.304 -24.327 1.00 0.00 H new ATOM 0 HA VAL A 24 33.594 -17.345 -22.118 1.00 0.00 H new ATOM 0 HB VAL A 24 31.576 -16.051 -21.894 1.00 0.00 H new ATOM 0 HG11 VAL A 24 30.104 -15.570 -23.834 1.00 0.00 H new ATOM 0 HG12 VAL A 24 31.729 -14.884 -24.078 1.00 0.00 H new ATOM 0 HG13 VAL A 24 31.262 -16.385 -24.912 1.00 0.00 H new ATOM 0 HG21 VAL A 24 29.821 -17.678 -22.534 1.00 0.00 H new ATOM 0 HG22 VAL A 24 30.975 -18.498 -23.613 1.00 0.00 H new ATOM 0 HG23 VAL A 24 31.243 -18.504 -21.854 1.00 0.00 H new ATOM 300 N VAL A 25 33.579 -17.629 -25.338 1.00 0.00 N ATOM 301 CA VAL A 25 33.709 -18.626 -26.438 1.00 0.00 C ATOM 302 C VAL A 25 35.178 -18.752 -26.854 1.00 0.00 C ATOM 303 O VAL A 25 35.807 -19.771 -26.640 1.00 0.00 O ATOM 304 CB VAL A 25 32.874 -18.175 -27.639 1.00 0.00 C ATOM 305 CG1 VAL A 25 32.835 -19.295 -28.680 1.00 0.00 C ATOM 306 CG2 VAL A 25 31.447 -17.853 -27.183 1.00 0.00 C ATOM 0 H VAL A 25 33.737 -16.659 -25.609 1.00 0.00 H new ATOM 0 HA VAL A 25 33.351 -19.594 -26.089 1.00 0.00 H new ATOM 0 HB VAL A 25 33.323 -17.284 -28.077 1.00 0.00 H new ATOM 0 HG11 VAL A 25 32.241 -18.976 -29.536 1.00 0.00 H new ATOM 0 HG12 VAL A 25 33.849 -19.523 -29.007 1.00 0.00 H new ATOM 0 HG13 VAL A 25 32.387 -20.186 -28.239 1.00 0.00 H new ATOM 0 HG21 VAL A 25 30.855 -17.532 -28.040 1.00 0.00 H new ATOM 0 HG22 VAL A 25 30.996 -18.743 -26.743 1.00 0.00 H new ATOM 0 HG23 VAL A 25 31.473 -17.055 -26.441 1.00 0.00 H new ATOM 316 N MET A 26 35.728 -17.732 -27.455 1.00 0.00 N ATOM 317 CA MET A 26 37.154 -17.802 -27.891 1.00 0.00 C ATOM 318 C MET A 26 38.055 -18.084 -26.686 1.00 0.00 C ATOM 319 O MET A 26 37.631 -18.017 -25.550 1.00 0.00 O ATOM 320 CB MET A 26 37.560 -16.471 -28.526 1.00 0.00 C ATOM 321 CG MET A 26 37.469 -16.582 -30.049 1.00 0.00 C ATOM 322 SD MET A 26 38.676 -17.796 -30.640 1.00 0.00 S ATOM 323 CE MET A 26 37.634 -18.549 -31.915 1.00 0.00 C ATOM 0 H MET A 26 35.253 -16.854 -27.663 1.00 0.00 H new ATOM 0 HA MET A 26 37.265 -18.606 -28.619 1.00 0.00 H new ATOM 0 HB2 MET A 26 36.909 -15.673 -28.170 1.00 0.00 H new ATOM 0 HB3 MET A 26 38.576 -16.210 -28.230 1.00 0.00 H new ATOM 0 HG2 MET A 26 36.463 -16.881 -30.343 1.00 0.00 H new ATOM 0 HG3 MET A 26 37.660 -15.611 -30.507 1.00 0.00 H new ATOM 0 HE1 MET A 26 38.189 -19.341 -32.418 1.00 0.00 H new ATOM 0 HE2 MET A 26 36.741 -18.969 -31.453 1.00 0.00 H new ATOM 0 HE3 MET A 26 37.344 -17.791 -32.642 1.00 0.00 H new ATOM 333 N ALA A 27 39.300 -18.396 -26.929 1.00 0.00 N ATOM 334 CA ALA A 27 40.235 -18.680 -25.803 1.00 0.00 C ATOM 335 C ALA A 27 41.508 -17.848 -25.979 1.00 0.00 C ATOM 336 O ALA A 27 42.601 -18.374 -26.046 1.00 0.00 O ATOM 337 CB ALA A 27 40.597 -20.167 -25.798 1.00 0.00 C ATOM 0 H ALA A 27 39.710 -18.466 -27.860 1.00 0.00 H new ATOM 0 HA ALA A 27 39.755 -18.421 -24.859 1.00 0.00 H new ATOM 0 HB1 ALA A 27 41.281 -20.372 -24.974 1.00 0.00 H new ATOM 0 HB2 ALA A 27 39.692 -20.761 -25.675 1.00 0.00 H new ATOM 0 HB3 ALA A 27 41.077 -20.428 -26.741 1.00 0.00 H new ATOM 343 N ASN A 28 41.373 -16.551 -26.048 1.00 0.00 N ATOM 344 CA ASN A 28 42.566 -15.679 -26.214 1.00 0.00 C ATOM 345 C ASN A 28 42.112 -14.221 -26.312 1.00 0.00 C ATOM 346 O ASN A 28 42.653 -13.348 -25.664 1.00 0.00 O ATOM 347 CB ASN A 28 43.321 -16.071 -27.487 1.00 0.00 C ATOM 348 CG ASN A 28 42.533 -15.609 -28.714 1.00 0.00 C ATOM 349 OD1 ASN A 28 42.936 -14.688 -29.397 1.00 0.00 O ATOM 350 ND2 ASN A 28 41.420 -16.214 -29.026 1.00 0.00 N ATOM 0 H ASN A 28 40.482 -16.058 -25.996 1.00 0.00 H new ATOM 0 HA ASN A 28 43.228 -15.800 -25.357 1.00 0.00 H new ATOM 0 HB2 ASN A 28 44.313 -15.619 -27.488 1.00 0.00 H new ATOM 0 HB3 ASN A 28 43.463 -17.151 -27.519 1.00 0.00 H new ATOM 0 HD21 ASN A 28 40.888 -15.914 -29.843 1.00 0.00 H new ATOM 0 HD22 ASN A 28 41.082 -16.987 -28.453 1.00 0.00 H new ATOM 357 N LYS A 29 41.114 -13.953 -27.109 1.00 0.00 N ATOM 358 CA LYS A 29 40.618 -12.555 -27.235 1.00 0.00 C ATOM 359 C LYS A 29 39.796 -12.213 -25.992 1.00 0.00 C ATOM 360 O LYS A 29 38.659 -12.622 -25.858 1.00 0.00 O ATOM 361 CB LYS A 29 39.743 -12.434 -28.484 1.00 0.00 C ATOM 362 CG LYS A 29 40.633 -12.186 -29.705 1.00 0.00 C ATOM 363 CD LYS A 29 39.891 -12.614 -30.974 1.00 0.00 C ATOM 364 CE LYS A 29 40.839 -12.521 -32.172 1.00 0.00 C ATOM 365 NZ LYS A 29 40.250 -13.251 -33.330 1.00 0.00 N ATOM 0 H LYS A 29 40.621 -14.642 -27.678 1.00 0.00 H new ATOM 0 HA LYS A 29 41.458 -11.866 -27.323 1.00 0.00 H new ATOM 0 HB2 LYS A 29 39.161 -13.345 -28.623 1.00 0.00 H new ATOM 0 HB3 LYS A 29 39.032 -11.616 -28.366 1.00 0.00 H new ATOM 0 HG2 LYS A 29 40.900 -11.131 -29.765 1.00 0.00 H new ATOM 0 HG3 LYS A 29 41.564 -12.745 -29.609 1.00 0.00 H new ATOM 0 HD2 LYS A 29 39.522 -13.634 -30.866 1.00 0.00 H new ATOM 0 HD3 LYS A 29 39.022 -11.976 -31.133 1.00 0.00 H new ATOM 0 HE2 LYS A 29 41.009 -11.477 -32.435 1.00 0.00 H new ATOM 0 HE3 LYS A 29 41.809 -12.947 -31.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 40.524 -12.778 -34.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 40.601 -14.230 -33.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 39.213 -13.255 -33.247 1.00 0.00 H new ATOM 379 N THR A 30 40.366 -11.487 -25.070 1.00 0.00 N ATOM 380 CA THR A 30 39.620 -11.147 -23.830 1.00 0.00 C ATOM 381 C THR A 30 39.462 -9.634 -23.700 1.00 0.00 C ATOM 382 O THR A 30 39.995 -8.863 -24.473 1.00 0.00 O ATOM 383 CB THR A 30 40.389 -11.693 -22.625 1.00 0.00 C ATOM 384 OG1 THR A 30 40.832 -13.012 -22.909 1.00 0.00 O ATOM 385 CG2 THR A 30 39.483 -11.714 -21.392 1.00 0.00 C ATOM 0 H THR A 30 41.315 -11.116 -25.123 1.00 0.00 H new ATOM 0 HA THR A 30 38.627 -11.594 -23.872 1.00 0.00 H new ATOM 0 HB THR A 30 41.247 -11.051 -22.426 1.00 0.00 H new ATOM 0 HG1 THR A 30 41.326 -13.364 -22.140 1.00 0.00 H new ATOM 0 HG21 THR A 30 40.038 -12.104 -20.539 1.00 0.00 H new ATOM 0 HG22 THR A 30 39.144 -10.702 -21.172 1.00 0.00 H new ATOM 0 HG23 THR A 30 38.620 -12.351 -21.585 1.00 0.00 H new ATOM 393 N LEU A 31 38.704 -9.221 -22.728 1.00 0.00 N ATOM 394 CA LEU A 31 38.450 -7.776 -22.507 1.00 0.00 C ATOM 395 C LEU A 31 39.468 -7.204 -21.535 1.00 0.00 C ATOM 396 O LEU A 31 39.661 -6.011 -21.467 1.00 0.00 O ATOM 397 CB LEU A 31 37.054 -7.648 -21.904 1.00 0.00 C ATOM 398 CG LEU A 31 35.996 -7.651 -23.020 1.00 0.00 C ATOM 399 CD1 LEU A 31 36.440 -8.548 -24.183 1.00 0.00 C ATOM 400 CD2 LEU A 31 34.668 -8.168 -22.483 1.00 0.00 C ATOM 0 H LEU A 31 38.240 -9.839 -22.063 1.00 0.00 H new ATOM 0 HA LEU A 31 38.528 -7.231 -23.448 1.00 0.00 H new ATOM 0 HB2 LEU A 31 36.870 -8.472 -21.215 1.00 0.00 H new ATOM 0 HB3 LEU A 31 36.982 -6.727 -21.326 1.00 0.00 H new ATOM 0 HG LEU A 31 35.879 -6.627 -23.376 1.00 0.00 H new ATOM 0 HD11 LEU A 31 35.678 -8.537 -24.962 1.00 0.00 H new ATOM 0 HD12 LEU A 31 37.381 -8.177 -24.590 1.00 0.00 H new ATOM 0 HD13 LEU A 31 36.577 -9.568 -23.824 1.00 0.00 H new ATOM 0 HD21 LEU A 31 33.927 -8.166 -23.282 1.00 0.00 H new ATOM 0 HD22 LEU A 31 34.797 -9.184 -22.111 1.00 0.00 H new ATOM 0 HD23 LEU A 31 34.329 -7.525 -21.671 1.00 0.00 H new ATOM 412 N LYS A 32 40.114 -8.030 -20.769 1.00 0.00 N ATOM 413 CA LYS A 32 41.096 -7.487 -19.807 1.00 0.00 C ATOM 414 C LYS A 32 42.177 -6.725 -20.577 1.00 0.00 C ATOM 415 O LYS A 32 42.138 -6.638 -21.784 1.00 0.00 O ATOM 416 CB LYS A 32 41.726 -8.626 -19.002 1.00 0.00 C ATOM 417 CG LYS A 32 42.255 -9.697 -19.958 1.00 0.00 C ATOM 418 CD LYS A 32 41.830 -11.081 -19.462 1.00 0.00 C ATOM 419 CE LYS A 32 42.642 -11.451 -18.219 1.00 0.00 C ATOM 420 NZ LYS A 32 41.945 -12.542 -17.477 1.00 0.00 N ATOM 0 H LYS A 32 40.005 -9.044 -20.768 1.00 0.00 H new ATOM 0 HA LYS A 32 40.596 -6.810 -19.114 1.00 0.00 H new ATOM 0 HB2 LYS A 32 42.538 -8.243 -18.384 1.00 0.00 H new ATOM 0 HB3 LYS A 32 40.988 -9.059 -18.327 1.00 0.00 H new ATOM 0 HG2 LYS A 32 41.869 -9.525 -20.963 1.00 0.00 H new ATOM 0 HG3 LYS A 32 43.342 -9.639 -20.020 1.00 0.00 H new ATOM 0 HD2 LYS A 32 40.765 -11.084 -19.228 1.00 0.00 H new ATOM 0 HD3 LYS A 32 41.986 -11.823 -20.245 1.00 0.00 H new ATOM 0 HE2 LYS A 32 43.642 -11.774 -18.508 1.00 0.00 H new ATOM 0 HE3 LYS A 32 42.762 -10.579 -17.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 42.496 -12.794 -16.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 41.000 -12.217 -17.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 41.853 -13.376 -18.092 1.00 0.00 H new ATOM 434 N LYS A 33 43.132 -6.166 -19.893 1.00 0.00 N ATOM 435 CA LYS A 33 44.202 -5.402 -20.595 1.00 0.00 C ATOM 436 C LYS A 33 45.262 -6.360 -21.135 1.00 0.00 C ATOM 437 O LYS A 33 45.806 -6.171 -22.204 1.00 0.00 O ATOM 438 CB LYS A 33 44.863 -4.448 -19.605 1.00 0.00 C ATOM 439 CG LYS A 33 45.504 -5.254 -18.473 1.00 0.00 C ATOM 440 CD LYS A 33 46.022 -4.295 -17.398 1.00 0.00 C ATOM 441 CE LYS A 33 47.131 -3.422 -17.986 1.00 0.00 C ATOM 442 NZ LYS A 33 48.048 -2.983 -16.896 1.00 0.00 N ATOM 0 H LYS A 33 43.220 -6.204 -18.878 1.00 0.00 H new ATOM 0 HA LYS A 33 43.760 -4.847 -21.422 1.00 0.00 H new ATOM 0 HB2 LYS A 33 45.618 -3.847 -20.111 1.00 0.00 H new ATOM 0 HB3 LYS A 33 44.124 -3.756 -19.201 1.00 0.00 H new ATOM 0 HG2 LYS A 33 44.775 -5.941 -18.043 1.00 0.00 H new ATOM 0 HG3 LYS A 33 46.323 -5.860 -18.861 1.00 0.00 H new ATOM 0 HD2 LYS A 33 45.208 -3.670 -17.031 1.00 0.00 H new ATOM 0 HD3 LYS A 33 46.401 -4.858 -16.545 1.00 0.00 H new ATOM 0 HE2 LYS A 33 47.686 -3.980 -18.740 1.00 0.00 H new ATOM 0 HE3 LYS A 33 46.700 -2.554 -18.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 48.803 -2.389 -17.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 47.513 -2.436 -16.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 48.469 -3.817 -16.440 1.00 0.00 H new ATOM 456 N GLU A 34 45.570 -7.372 -20.385 1.00 0.00 N ATOM 457 CA GLU A 34 46.611 -8.344 -20.815 1.00 0.00 C ATOM 458 C GLU A 34 46.265 -8.928 -22.185 1.00 0.00 C ATOM 459 O GLU A 34 47.137 -9.243 -22.970 1.00 0.00 O ATOM 460 CB GLU A 34 46.698 -9.477 -19.789 1.00 0.00 C ATOM 461 CG GLU A 34 47.224 -8.927 -18.462 1.00 0.00 C ATOM 462 CD GLU A 34 48.395 -9.786 -17.982 1.00 0.00 C ATOM 463 OE1 GLU A 34 48.170 -10.949 -17.689 1.00 0.00 O ATOM 464 OE2 GLU A 34 49.497 -9.267 -17.914 1.00 0.00 O ATOM 0 H GLU A 34 45.142 -7.573 -19.481 1.00 0.00 H new ATOM 0 HA GLU A 34 47.568 -7.828 -20.885 1.00 0.00 H new ATOM 0 HB2 GLU A 34 45.716 -9.927 -19.644 1.00 0.00 H new ATOM 0 HB3 GLU A 34 47.358 -10.264 -20.156 1.00 0.00 H new ATOM 0 HG2 GLU A 34 47.545 -7.893 -18.586 1.00 0.00 H new ATOM 0 HG3 GLU A 34 46.429 -8.927 -17.716 1.00 0.00 H new ATOM 471 N ALA A 35 45.008 -9.099 -22.471 1.00 0.00 N ATOM 472 CA ALA A 35 44.623 -9.690 -23.778 1.00 0.00 C ATOM 473 C ALA A 35 44.044 -8.626 -24.709 1.00 0.00 C ATOM 474 O ALA A 35 44.343 -8.599 -25.885 1.00 0.00 O ATOM 475 CB ALA A 35 43.582 -10.786 -23.551 1.00 0.00 C ATOM 0 H ALA A 35 44.231 -8.855 -21.857 1.00 0.00 H new ATOM 0 HA ALA A 35 45.514 -10.110 -24.244 1.00 0.00 H new ATOM 0 HB1 ALA A 35 43.298 -11.222 -24.509 1.00 0.00 H new ATOM 0 HB2 ALA A 35 44.003 -11.561 -22.911 1.00 0.00 H new ATOM 0 HB3 ALA A 35 42.702 -10.358 -23.071 1.00 0.00 H new ATOM 481 N LEU A 36 43.220 -7.750 -24.208 1.00 0.00 N ATOM 482 CA LEU A 36 42.641 -6.709 -25.092 1.00 0.00 C ATOM 483 C LEU A 36 43.771 -5.783 -25.557 1.00 0.00 C ATOM 484 O LEU A 36 43.630 -5.036 -26.504 1.00 0.00 O ATOM 485 CB LEU A 36 41.543 -5.948 -24.344 1.00 0.00 C ATOM 486 CG LEU A 36 42.108 -4.717 -23.660 1.00 0.00 C ATOM 487 CD1 LEU A 36 42.276 -3.611 -24.685 1.00 0.00 C ATOM 488 CD2 LEU A 36 41.125 -4.263 -22.599 1.00 0.00 C ATOM 0 H LEU A 36 42.926 -7.711 -23.232 1.00 0.00 H new ATOM 0 HA LEU A 36 42.179 -7.158 -25.971 1.00 0.00 H new ATOM 0 HB2 LEU A 36 40.759 -5.654 -25.042 1.00 0.00 H new ATOM 0 HB3 LEU A 36 41.082 -6.601 -23.603 1.00 0.00 H new ATOM 0 HG LEU A 36 43.073 -4.947 -23.208 1.00 0.00 H new ATOM 0 HD11 LEU A 36 42.682 -2.723 -24.199 1.00 0.00 H new ATOM 0 HD12 LEU A 36 42.959 -3.941 -25.468 1.00 0.00 H new ATOM 0 HD13 LEU A 36 41.308 -3.373 -25.125 1.00 0.00 H new ATOM 0 HD21 LEU A 36 41.515 -3.378 -22.096 1.00 0.00 H new ATOM 0 HD22 LEU A 36 40.170 -4.023 -23.067 1.00 0.00 H new ATOM 0 HD23 LEU A 36 40.982 -5.061 -21.870 1.00 0.00 H new ATOM 500 N GLU A 37 44.901 -5.852 -24.902 1.00 0.00 N ATOM 501 CA GLU A 37 46.057 -5.016 -25.298 1.00 0.00 C ATOM 502 C GLU A 37 47.176 -5.932 -25.800 1.00 0.00 C ATOM 503 O GLU A 37 48.234 -5.482 -26.193 1.00 0.00 O ATOM 504 CB GLU A 37 46.556 -4.210 -24.096 1.00 0.00 C ATOM 505 CG GLU A 37 45.385 -3.459 -23.463 1.00 0.00 C ATOM 506 CD GLU A 37 45.894 -2.605 -22.300 1.00 0.00 C ATOM 507 OE1 GLU A 37 46.829 -3.032 -21.641 1.00 0.00 O ATOM 508 OE2 GLU A 37 45.340 -1.539 -22.088 1.00 0.00 O ATOM 0 H GLU A 37 45.067 -6.461 -24.101 1.00 0.00 H new ATOM 0 HA GLU A 37 45.757 -4.324 -26.085 1.00 0.00 H new ATOM 0 HB2 GLU A 37 47.014 -4.875 -23.364 1.00 0.00 H new ATOM 0 HB3 GLU A 37 47.326 -3.505 -24.411 1.00 0.00 H new ATOM 0 HG2 GLU A 37 44.900 -2.827 -24.207 1.00 0.00 H new ATOM 0 HG3 GLU A 37 44.635 -4.166 -23.108 1.00 0.00 H new ATOM 515 N GLN A 38 46.940 -7.219 -25.805 1.00 0.00 N ATOM 516 CA GLN A 38 47.954 -8.173 -26.288 1.00 0.00 C ATOM 517 C GLN A 38 47.981 -8.068 -27.804 1.00 0.00 C ATOM 518 O GLN A 38 49.012 -7.874 -28.419 1.00 0.00 O ATOM 519 CB GLN A 38 47.533 -9.587 -25.865 1.00 0.00 C ATOM 520 CG GLN A 38 48.121 -10.614 -26.831 1.00 0.00 C ATOM 521 CD GLN A 38 49.609 -10.327 -27.009 1.00 0.00 C ATOM 522 OE1 GLN A 38 50.192 -10.662 -28.022 1.00 0.00 O ATOM 523 NE2 GLN A 38 50.254 -9.710 -26.057 1.00 0.00 N ATOM 0 H GLN A 38 46.070 -7.645 -25.487 1.00 0.00 H new ATOM 0 HA GLN A 38 48.940 -7.959 -25.876 1.00 0.00 H new ATOM 0 HB2 GLN A 38 47.876 -9.790 -24.851 1.00 0.00 H new ATOM 0 HB3 GLN A 38 46.446 -9.665 -25.855 1.00 0.00 H new ATOM 0 HG2 GLN A 38 47.975 -11.623 -26.444 1.00 0.00 H new ATOM 0 HG3 GLN A 38 47.609 -10.564 -27.792 1.00 0.00 H new ATOM 0 HE21 GLN A 38 49.764 -9.429 -25.208 1.00 0.00 H new ATOM 0 HE22 GLN A 38 51.248 -9.508 -26.162 1.00 0.00 H new ATOM 532 N PHE A 39 46.834 -8.180 -28.400 1.00 0.00 N ATOM 533 CA PHE A 39 46.751 -8.073 -29.871 1.00 0.00 C ATOM 534 C PHE A 39 46.591 -6.605 -30.264 1.00 0.00 C ATOM 535 O PHE A 39 47.228 -6.127 -31.180 1.00 0.00 O ATOM 536 CB PHE A 39 45.577 -8.896 -30.410 1.00 0.00 C ATOM 537 CG PHE A 39 44.513 -9.095 -29.358 1.00 0.00 C ATOM 538 CD1 PHE A 39 43.661 -8.043 -29.003 1.00 0.00 C ATOM 539 CD2 PHE A 39 44.373 -10.346 -28.745 1.00 0.00 C ATOM 540 CE1 PHE A 39 42.672 -8.246 -28.035 1.00 0.00 C ATOM 541 CE2 PHE A 39 43.382 -10.547 -27.778 1.00 0.00 C ATOM 542 CZ PHE A 39 42.531 -9.498 -27.424 1.00 0.00 C ATOM 0 H PHE A 39 45.946 -8.342 -27.926 1.00 0.00 H new ATOM 0 HA PHE A 39 47.669 -8.468 -30.306 1.00 0.00 H new ATOM 0 HB2 PHE A 39 45.145 -8.393 -31.275 1.00 0.00 H new ATOM 0 HB3 PHE A 39 45.938 -9.866 -30.752 1.00 0.00 H new ATOM 0 HD1 PHE A 39 43.767 -7.077 -29.475 1.00 0.00 H new ATOM 0 HD2 PHE A 39 45.031 -11.157 -29.019 1.00 0.00 H new ATOM 0 HE1 PHE A 39 42.015 -7.435 -27.758 1.00 0.00 H new ATOM 0 HE2 PHE A 39 43.275 -11.512 -27.306 1.00 0.00 H new ATOM 0 HZ PHE A 39 41.764 -9.652 -26.679 1.00 0.00 H new ATOM 552 N GLY A 40 45.764 -5.880 -29.567 1.00 0.00 N ATOM 553 CA GLY A 40 45.592 -4.436 -29.899 1.00 0.00 C ATOM 554 C GLY A 40 44.108 -4.065 -29.986 1.00 0.00 C ATOM 555 O GLY A 40 43.725 -3.206 -30.756 1.00 0.00 O ATOM 0 H GLY A 40 45.202 -6.220 -28.786 1.00 0.00 H new ATOM 0 HA2 GLY A 40 46.079 -3.824 -29.140 1.00 0.00 H new ATOM 0 HA3 GLY A 40 46.082 -4.217 -30.848 1.00 0.00 H new ATOM 559 N MET A 41 43.266 -4.681 -29.200 1.00 0.00 N ATOM 560 CA MET A 41 41.819 -4.321 -29.254 1.00 0.00 C ATOM 561 C MET A 41 41.544 -3.208 -28.234 1.00 0.00 C ATOM 562 O MET A 41 40.418 -2.902 -27.910 1.00 0.00 O ATOM 563 CB MET A 41 40.958 -5.564 -28.979 1.00 0.00 C ATOM 564 CG MET A 41 40.528 -5.634 -27.512 1.00 0.00 C ATOM 565 SD MET A 41 38.842 -4.995 -27.355 1.00 0.00 S ATOM 566 CE MET A 41 39.081 -4.075 -25.816 1.00 0.00 C ATOM 0 H MET A 41 43.513 -5.410 -28.530 1.00 0.00 H new ATOM 0 HA MET A 41 41.559 -3.954 -30.247 1.00 0.00 H new ATOM 0 HB2 MET A 41 40.075 -5.545 -29.618 1.00 0.00 H new ATOM 0 HB3 MET A 41 41.519 -6.462 -29.238 1.00 0.00 H new ATOM 0 HG2 MET A 41 40.574 -6.663 -27.156 1.00 0.00 H new ATOM 0 HG3 MET A 41 41.210 -5.051 -26.893 1.00 0.00 H new ATOM 0 HE1 MET A 41 38.215 -3.439 -25.634 1.00 0.00 H new ATOM 0 HE2 MET A 41 39.198 -4.775 -24.988 1.00 0.00 H new ATOM 0 HE3 MET A 41 39.975 -3.456 -25.897 1.00 0.00 H new ATOM 576 N TYR A 42 42.578 -2.592 -27.737 1.00 0.00 N ATOM 577 CA TYR A 42 42.406 -1.495 -26.741 1.00 0.00 C ATOM 578 C TYR A 42 41.894 -0.217 -27.426 1.00 0.00 C ATOM 579 O TYR A 42 41.962 0.860 -26.871 1.00 0.00 O ATOM 580 CB TYR A 42 43.771 -1.237 -26.092 1.00 0.00 C ATOM 581 CG TYR A 42 43.636 -0.306 -24.907 1.00 0.00 C ATOM 582 CD1 TYR A 42 43.400 -0.825 -23.626 1.00 0.00 C ATOM 583 CD2 TYR A 42 43.757 1.077 -25.087 1.00 0.00 C ATOM 584 CE1 TYR A 42 43.285 0.039 -22.531 1.00 0.00 C ATOM 585 CE2 TYR A 42 43.640 1.941 -23.991 1.00 0.00 C ATOM 586 CZ TYR A 42 43.405 1.421 -22.713 1.00 0.00 C ATOM 587 OH TYR A 42 43.292 2.272 -21.633 1.00 0.00 O ATOM 0 H TYR A 42 43.546 -2.803 -27.980 1.00 0.00 H new ATOM 0 HA TYR A 42 41.672 -1.783 -25.988 1.00 0.00 H new ATOM 0 HB2 TYR A 42 44.210 -2.181 -25.770 1.00 0.00 H new ATOM 0 HB3 TYR A 42 44.451 -0.803 -26.825 1.00 0.00 H new ATOM 0 HD1 TYR A 42 43.307 -1.892 -23.484 1.00 0.00 H new ATOM 0 HD2 TYR A 42 43.941 1.478 -26.073 1.00 0.00 H new ATOM 0 HE1 TYR A 42 43.103 -0.361 -21.545 1.00 0.00 H new ATOM 0 HE2 TYR A 42 43.731 3.008 -24.132 1.00 0.00 H new ATOM 0 HH TYR A 42 42.504 2.027 -21.104 1.00 0.00 H new ATOM 597 N SER A 43 41.397 -0.315 -28.631 1.00 0.00 N ATOM 598 CA SER A 43 40.910 0.901 -29.331 1.00 0.00 C ATOM 599 C SER A 43 39.380 0.925 -29.371 1.00 0.00 C ATOM 600 O SER A 43 38.744 -0.005 -29.833 1.00 0.00 O ATOM 601 CB SER A 43 41.444 0.898 -30.754 1.00 0.00 C ATOM 602 OG SER A 43 42.282 2.028 -30.948 1.00 0.00 O ATOM 0 H SER A 43 41.309 -1.185 -29.157 1.00 0.00 H new ATOM 0 HA SER A 43 41.261 1.782 -28.794 1.00 0.00 H new ATOM 0 HB2 SER A 43 42.003 -0.019 -30.942 1.00 0.00 H new ATOM 0 HB3 SER A 43 40.617 0.919 -31.464 1.00 0.00 H new ATOM 0 HG SER A 43 42.628 2.025 -31.865 1.00 0.00 H new ATOM 608 N GLU A 44 38.784 1.989 -28.903 1.00 0.00 N ATOM 609 CA GLU A 44 37.305 2.087 -28.935 1.00 0.00 C ATOM 610 C GLU A 44 36.809 1.617 -30.299 1.00 0.00 C ATOM 611 O GLU A 44 36.021 0.715 -30.386 1.00 0.00 O ATOM 612 CB GLU A 44 36.874 3.538 -28.697 1.00 0.00 C ATOM 613 CG GLU A 44 37.731 4.472 -29.549 1.00 0.00 C ATOM 614 CD GLU A 44 38.036 5.748 -28.762 1.00 0.00 C ATOM 615 OE1 GLU A 44 38.553 5.631 -27.663 1.00 0.00 O ATOM 616 OE2 GLU A 44 37.749 6.818 -29.271 1.00 0.00 O ATOM 0 H GLU A 44 39.263 2.794 -28.500 1.00 0.00 H new ATOM 0 HA GLU A 44 36.878 1.461 -28.151 1.00 0.00 H new ATOM 0 HB2 GLU A 44 35.821 3.662 -28.950 1.00 0.00 H new ATOM 0 HB3 GLU A 44 36.980 3.791 -27.642 1.00 0.00 H new ATOM 0 HG2 GLU A 44 38.660 3.975 -29.830 1.00 0.00 H new ATOM 0 HG3 GLU A 44 37.209 4.719 -30.474 1.00 0.00 H new ATOM 623 N ASP A 45 37.271 2.216 -31.364 1.00 0.00 N ATOM 624 CA ASP A 45 36.816 1.792 -32.718 1.00 0.00 C ATOM 625 C ASP A 45 36.882 0.267 -32.850 1.00 0.00 C ATOM 626 O ASP A 45 36.006 -0.353 -33.417 1.00 0.00 O ATOM 627 CB ASP A 45 37.707 2.427 -33.772 1.00 0.00 C ATOM 628 CG ASP A 45 37.229 2.009 -35.165 1.00 0.00 C ATOM 629 OD1 ASP A 45 37.348 0.837 -35.483 1.00 0.00 O ATOM 630 OD2 ASP A 45 36.755 2.868 -35.889 1.00 0.00 O ATOM 0 H ASP A 45 37.945 2.982 -31.354 1.00 0.00 H new ATOM 0 HA ASP A 45 35.785 2.115 -32.860 1.00 0.00 H new ATOM 0 HB2 ASP A 45 37.682 3.513 -33.678 1.00 0.00 H new ATOM 0 HB3 ASP A 45 38.742 2.118 -33.623 1.00 0.00 H new ATOM 635 N ALA A 46 37.919 -0.341 -32.342 1.00 0.00 N ATOM 636 CA ALA A 46 38.048 -1.826 -32.448 1.00 0.00 C ATOM 637 C ALA A 46 36.836 -2.506 -31.811 1.00 0.00 C ATOM 638 O ALA A 46 35.996 -3.065 -32.488 1.00 0.00 O ATOM 639 CB ALA A 46 39.322 -2.275 -31.730 1.00 0.00 C ATOM 0 H ALA A 46 38.685 0.126 -31.857 1.00 0.00 H new ATOM 0 HA ALA A 46 38.099 -2.107 -33.500 1.00 0.00 H new ATOM 0 HB1 ALA A 46 39.420 -3.358 -31.805 1.00 0.00 H new ATOM 0 HB2 ALA A 46 40.187 -1.800 -32.193 1.00 0.00 H new ATOM 0 HB3 ALA A 46 39.268 -1.988 -30.680 1.00 0.00 H new ATOM 645 N ILE A 47 36.746 -2.468 -30.516 1.00 0.00 N ATOM 646 CA ILE A 47 35.599 -3.116 -29.819 1.00 0.00 C ATOM 647 C ILE A 47 34.305 -2.365 -30.126 1.00 0.00 C ATOM 648 O ILE A 47 33.222 -2.801 -29.794 1.00 0.00 O ATOM 649 CB ILE A 47 35.880 -3.077 -28.332 1.00 0.00 C ATOM 650 CG1 ILE A 47 34.835 -3.876 -27.563 1.00 0.00 C ATOM 651 CG2 ILE A 47 35.832 -1.644 -27.835 1.00 0.00 C ATOM 652 CD1 ILE A 47 35.106 -3.701 -26.067 1.00 0.00 C ATOM 0 H ILE A 47 37.422 -2.013 -29.902 1.00 0.00 H new ATOM 0 HA ILE A 47 35.482 -4.145 -30.158 1.00 0.00 H new ATOM 0 HB ILE A 47 36.868 -3.508 -28.168 1.00 0.00 H new ATOM 0 HG12 ILE A 47 33.832 -3.528 -27.811 1.00 0.00 H new ATOM 0 HG13 ILE A 47 34.884 -4.930 -27.838 1.00 0.00 H new ATOM 0 HG21 ILE A 47 36.035 -1.623 -26.764 1.00 0.00 H new ATOM 0 HG22 ILE A 47 36.583 -1.052 -28.358 1.00 0.00 H new ATOM 0 HG23 ILE A 47 34.843 -1.226 -28.025 1.00 0.00 H new ATOM 0 HD11 ILE A 47 34.369 -4.265 -25.495 1.00 0.00 H new ATOM 0 HD12 ILE A 47 36.105 -4.068 -25.833 1.00 0.00 H new ATOM 0 HD13 ILE A 47 35.037 -2.645 -25.806 1.00 0.00 H new ATOM 664 N ILE A 48 34.416 -1.247 -30.773 1.00 0.00 N ATOM 665 CA ILE A 48 33.203 -0.460 -31.127 1.00 0.00 C ATOM 666 C ILE A 48 32.606 -1.076 -32.390 1.00 0.00 C ATOM 667 O ILE A 48 31.407 -1.103 -32.577 1.00 0.00 O ATOM 668 CB ILE A 48 33.595 1.009 -31.350 1.00 0.00 C ATOM 669 CG1 ILE A 48 33.582 1.741 -30.008 1.00 0.00 C ATOM 670 CG2 ILE A 48 32.606 1.694 -32.283 1.00 0.00 C ATOM 671 CD1 ILE A 48 33.802 3.238 -30.239 1.00 0.00 C ATOM 0 H ILE A 48 35.300 -0.838 -31.076 1.00 0.00 H new ATOM 0 HA ILE A 48 32.463 -0.486 -30.327 1.00 0.00 H new ATOM 0 HB ILE A 48 34.589 1.039 -31.796 1.00 0.00 H new ATOM 0 HG12 ILE A 48 32.631 1.577 -29.502 1.00 0.00 H new ATOM 0 HG13 ILE A 48 34.362 1.344 -29.358 1.00 0.00 H new ATOM 0 HG21 ILE A 48 32.902 2.733 -32.428 1.00 0.00 H new ATOM 0 HG22 ILE A 48 32.599 1.182 -33.245 1.00 0.00 H new ATOM 0 HG23 ILE A 48 31.608 1.658 -31.845 1.00 0.00 H new ATOM 0 HD11 ILE A 48 33.793 3.759 -29.282 1.00 0.00 H new ATOM 0 HD12 ILE A 48 34.764 3.393 -30.727 1.00 0.00 H new ATOM 0 HD13 ILE A 48 33.006 3.629 -30.873 1.00 0.00 H new ATOM 683 N TYR A 49 33.443 -1.613 -33.234 1.00 0.00 N ATOM 684 CA TYR A 49 32.943 -2.283 -34.462 1.00 0.00 C ATOM 685 C TYR A 49 32.753 -3.764 -34.139 1.00 0.00 C ATOM 686 O TYR A 49 32.132 -4.506 -34.870 1.00 0.00 O ATOM 687 CB TYR A 49 33.954 -2.141 -35.593 1.00 0.00 C ATOM 688 CG TYR A 49 33.454 -2.942 -36.765 1.00 0.00 C ATOM 689 CD1 TYR A 49 33.737 -4.309 -36.849 1.00 0.00 C ATOM 690 CD2 TYR A 49 32.689 -2.322 -37.757 1.00 0.00 C ATOM 691 CE1 TYR A 49 33.258 -5.057 -37.930 1.00 0.00 C ATOM 692 CE2 TYR A 49 32.208 -3.067 -38.836 1.00 0.00 C ATOM 693 CZ TYR A 49 32.491 -4.435 -38.925 1.00 0.00 C ATOM 694 OH TYR A 49 32.015 -5.173 -39.989 1.00 0.00 O ATOM 0 H TYR A 49 34.457 -1.615 -33.123 1.00 0.00 H new ATOM 0 HA TYR A 49 32.005 -1.827 -34.779 1.00 0.00 H new ATOM 0 HB2 TYR A 49 34.072 -1.093 -35.870 1.00 0.00 H new ATOM 0 HB3 TYR A 49 34.933 -2.499 -35.276 1.00 0.00 H new ATOM 0 HD1 TYR A 49 34.325 -4.787 -36.080 1.00 0.00 H new ATOM 0 HD2 TYR A 49 32.470 -1.267 -37.689 1.00 0.00 H new ATOM 0 HE1 TYR A 49 33.479 -6.112 -37.998 1.00 0.00 H new ATOM 0 HE2 TYR A 49 31.617 -2.587 -39.602 1.00 0.00 H new ATOM 0 HH TYR A 49 31.501 -4.591 -40.587 1.00 0.00 H new ATOM 704 N GLN A 50 33.285 -4.194 -33.032 1.00 0.00 N ATOM 705 CA GLN A 50 33.140 -5.610 -32.626 1.00 0.00 C ATOM 706 C GLN A 50 31.918 -5.706 -31.704 1.00 0.00 C ATOM 707 O GLN A 50 31.403 -6.771 -31.443 1.00 0.00 O ATOM 708 CB GLN A 50 34.447 -6.040 -31.925 1.00 0.00 C ATOM 709 CG GLN A 50 34.212 -7.114 -30.863 1.00 0.00 C ATOM 710 CD GLN A 50 34.329 -8.498 -31.511 1.00 0.00 C ATOM 711 OE1 GLN A 50 33.446 -9.320 -31.383 1.00 0.00 O ATOM 712 NE2 GLN A 50 35.392 -8.789 -32.209 1.00 0.00 N ATOM 0 H GLN A 50 33.820 -3.615 -32.385 1.00 0.00 H new ATOM 0 HA GLN A 50 32.980 -6.278 -33.473 1.00 0.00 H new ATOM 0 HB2 GLN A 50 35.149 -6.416 -32.669 1.00 0.00 H new ATOM 0 HB3 GLN A 50 34.911 -5.169 -31.461 1.00 0.00 H new ATOM 0 HG2 GLN A 50 34.941 -7.013 -30.059 1.00 0.00 H new ATOM 0 HG3 GLN A 50 33.225 -6.991 -30.416 1.00 0.00 H new ATOM 0 HE21 GLN A 50 36.135 -8.099 -32.318 1.00 0.00 H new ATOM 0 HE22 GLN A 50 35.480 -9.706 -32.646 1.00 0.00 H new ATOM 721 N VAL A 51 31.442 -4.580 -31.227 1.00 0.00 N ATOM 722 CA VAL A 51 30.244 -4.568 -30.334 1.00 0.00 C ATOM 723 C VAL A 51 29.004 -4.155 -31.132 1.00 0.00 C ATOM 724 O VAL A 51 27.898 -4.626 -30.901 1.00 0.00 O ATOM 725 CB VAL A 51 30.463 -3.523 -29.245 1.00 0.00 C ATOM 726 CG1 VAL A 51 29.158 -3.293 -28.479 1.00 0.00 C ATOM 727 CG2 VAL A 51 31.545 -4.004 -28.278 1.00 0.00 C ATOM 0 H VAL A 51 31.838 -3.660 -31.422 1.00 0.00 H new ATOM 0 HA VAL A 51 30.102 -5.562 -29.909 1.00 0.00 H new ATOM 0 HB VAL A 51 30.781 -2.588 -29.706 1.00 0.00 H new ATOM 0 HG11 VAL A 51 29.319 -2.546 -27.702 1.00 0.00 H new ATOM 0 HG12 VAL A 51 28.389 -2.941 -29.167 1.00 0.00 H new ATOM 0 HG13 VAL A 51 28.835 -4.228 -28.022 1.00 0.00 H new ATOM 0 HG21 VAL A 51 31.698 -3.254 -27.502 1.00 0.00 H new ATOM 0 HG22 VAL A 51 31.232 -4.942 -27.820 1.00 0.00 H new ATOM 0 HG23 VAL A 51 32.477 -4.159 -28.822 1.00 0.00 H new ATOM 737 N GLN A 52 29.184 -3.268 -32.064 1.00 0.00 N ATOM 738 CA GLN A 52 28.051 -2.789 -32.872 1.00 0.00 C ATOM 739 C GLN A 52 27.661 -3.863 -33.851 1.00 0.00 C ATOM 740 O GLN A 52 26.703 -3.731 -34.587 1.00 0.00 O ATOM 741 CB GLN A 52 28.491 -1.567 -33.642 1.00 0.00 C ATOM 742 CG GLN A 52 27.677 -0.353 -33.191 1.00 0.00 C ATOM 743 CD GLN A 52 28.145 0.892 -33.948 1.00 0.00 C ATOM 744 OE1 GLN A 52 27.354 1.760 -34.261 1.00 0.00 O ATOM 745 NE2 GLN A 52 29.407 1.019 -34.258 1.00 0.00 N ATOM 0 H GLN A 52 30.085 -2.852 -32.299 1.00 0.00 H new ATOM 0 HA GLN A 52 27.206 -2.547 -32.228 1.00 0.00 H new ATOM 0 HB2 GLN A 52 29.553 -1.386 -33.479 1.00 0.00 H new ATOM 0 HB3 GLN A 52 28.356 -1.731 -34.711 1.00 0.00 H new ATOM 0 HG2 GLN A 52 26.617 -0.525 -33.375 1.00 0.00 H new ATOM 0 HG3 GLN A 52 27.794 -0.203 -32.118 1.00 0.00 H new ATOM 0 HE21 GLN A 52 30.072 0.291 -33.996 1.00 0.00 H new ATOM 0 HE22 GLN A 52 29.728 1.846 -34.762 1.00 0.00 H new ATOM 754 N HIS A 53 28.402 -4.924 -33.891 1.00 0.00 N ATOM 755 CA HIS A 53 28.069 -5.971 -34.837 1.00 0.00 C ATOM 756 C HIS A 53 28.807 -7.229 -34.442 1.00 0.00 C ATOM 757 O HIS A 53 29.199 -8.022 -35.276 1.00 0.00 O ATOM 758 CB HIS A 53 28.460 -5.568 -36.251 1.00 0.00 C ATOM 759 CG HIS A 53 29.130 -4.212 -36.327 1.00 0.00 C ATOM 760 ND1 HIS A 53 29.022 -3.422 -37.464 1.00 0.00 N ATOM 761 CD2 HIS A 53 29.906 -3.492 -35.453 1.00 0.00 C ATOM 762 CE1 HIS A 53 29.713 -2.290 -37.242 1.00 0.00 C ATOM 763 NE2 HIS A 53 30.273 -2.281 -36.032 1.00 0.00 N ATOM 0 H HIS A 53 29.219 -5.098 -33.305 1.00 0.00 H new ATOM 0 HA HIS A 53 26.993 -6.142 -34.820 1.00 0.00 H new ATOM 0 HB2 HIS A 53 29.132 -6.321 -36.662 1.00 0.00 H new ATOM 0 HB3 HIS A 53 27.569 -5.560 -36.878 1.00 0.00 H new ATOM 0 HD1 HIS A 53 28.511 -3.658 -38.314 1.00 0.00 H new ATOM 0 HD2 HIS A 53 30.190 -3.817 -34.463 1.00 0.00 H new ATOM 0 HE1 HIS A 53 29.803 -1.486 -37.957 1.00 0.00 H new ATOM 771 N GLY A 54 29.012 -7.416 -33.170 1.00 0.00 N ATOM 772 CA GLY A 54 29.740 -8.618 -32.725 1.00 0.00 C ATOM 773 C GLY A 54 30.962 -8.794 -33.603 1.00 0.00 C ATOM 774 O GLY A 54 31.660 -7.857 -33.938 1.00 0.00 O ATOM 0 H GLY A 54 28.706 -6.788 -32.427 1.00 0.00 H new ATOM 0 HA2 GLY A 54 30.036 -8.517 -31.681 1.00 0.00 H new ATOM 0 HA3 GLY A 54 29.097 -9.496 -32.791 1.00 0.00 H new ATOM 778 N LYS A 55 31.189 -9.995 -33.976 1.00 0.00 N ATOM 779 CA LYS A 55 32.342 -10.339 -34.851 1.00 0.00 C ATOM 780 C LYS A 55 32.680 -11.815 -34.682 1.00 0.00 C ATOM 781 O LYS A 55 32.832 -12.304 -33.581 1.00 0.00 O ATOM 782 CB LYS A 55 33.555 -9.491 -34.487 1.00 0.00 C ATOM 783 CG LYS A 55 33.822 -8.530 -35.645 1.00 0.00 C ATOM 784 CD LYS A 55 34.357 -7.212 -35.100 1.00 0.00 C ATOM 785 CE LYS A 55 35.759 -6.956 -35.655 1.00 0.00 C ATOM 786 NZ LYS A 55 36.352 -5.772 -34.971 1.00 0.00 N ATOM 0 H LYS A 55 30.611 -10.792 -33.709 1.00 0.00 H new ATOM 0 HA LYS A 55 32.074 -10.139 -35.888 1.00 0.00 H new ATOM 0 HB2 LYS A 55 33.371 -8.937 -33.566 1.00 0.00 H new ATOM 0 HB3 LYS A 55 34.424 -10.125 -34.309 1.00 0.00 H new ATOM 0 HG2 LYS A 55 34.542 -8.968 -36.337 1.00 0.00 H new ATOM 0 HG3 LYS A 55 32.904 -8.357 -36.207 1.00 0.00 H new ATOM 0 HD2 LYS A 55 33.691 -6.395 -35.378 1.00 0.00 H new ATOM 0 HD3 LYS A 55 34.387 -7.243 -34.011 1.00 0.00 H new ATOM 0 HE2 LYS A 55 36.389 -7.832 -35.501 1.00 0.00 H new ATOM 0 HE3 LYS A 55 35.711 -6.783 -36.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 36.913 -5.222 -35.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 35.591 -5.175 -34.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 36.966 -6.091 -34.195 1.00 0.00 H new ATOM 800 N ASN A 56 32.784 -12.527 -35.767 1.00 0.00 N ATOM 801 CA ASN A 56 33.099 -13.978 -35.681 1.00 0.00 C ATOM 802 C ASN A 56 31.965 -14.690 -34.939 1.00 0.00 C ATOM 803 O ASN A 56 31.033 -15.187 -35.540 1.00 0.00 O ATOM 804 CB ASN A 56 34.417 -14.179 -34.929 1.00 0.00 C ATOM 805 CG ASN A 56 35.572 -13.636 -35.773 1.00 0.00 C ATOM 806 OD1 ASN A 56 36.122 -14.341 -36.596 1.00 0.00 O ATOM 807 ND2 ASN A 56 35.963 -12.402 -35.604 1.00 0.00 N ATOM 0 H ASN A 56 32.664 -12.165 -36.713 1.00 0.00 H new ATOM 0 HA ASN A 56 33.199 -14.392 -36.684 1.00 0.00 H new ATOM 0 HB2 ASN A 56 34.382 -13.666 -33.968 1.00 0.00 H new ATOM 0 HB3 ASN A 56 34.571 -15.238 -34.720 1.00 0.00 H new ATOM 0 HD21 ASN A 56 36.730 -12.029 -36.163 1.00 0.00 H new ATOM 0 HD22 ASN A 56 35.501 -11.811 -34.913 1.00 0.00 H new ATOM 814 N ALA A 57 32.033 -14.740 -33.636 1.00 0.00 N ATOM 815 CA ALA A 57 30.957 -15.415 -32.857 1.00 0.00 C ATOM 816 C ALA A 57 30.366 -14.436 -31.834 1.00 0.00 C ATOM 817 O ALA A 57 29.948 -14.826 -30.761 1.00 0.00 O ATOM 818 CB ALA A 57 31.542 -16.624 -32.125 1.00 0.00 C ATOM 0 H ALA A 57 32.788 -14.342 -33.077 1.00 0.00 H new ATOM 0 HA ALA A 57 30.171 -15.743 -33.537 1.00 0.00 H new ATOM 0 HB1 ALA A 57 30.756 -17.119 -31.554 1.00 0.00 H new ATOM 0 HB2 ALA A 57 31.958 -17.322 -32.851 1.00 0.00 H new ATOM 0 HB3 ALA A 57 32.329 -16.293 -31.447 1.00 0.00 H new ATOM 824 N MET A 58 30.325 -13.168 -32.154 1.00 0.00 N ATOM 825 CA MET A 58 29.758 -12.171 -31.196 1.00 0.00 C ATOM 826 C MET A 58 28.440 -11.616 -31.766 1.00 0.00 C ATOM 827 O MET A 58 28.313 -11.439 -32.962 1.00 0.00 O ATOM 828 CB MET A 58 30.778 -11.048 -30.976 1.00 0.00 C ATOM 829 CG MET A 58 30.233 -10.059 -29.954 1.00 0.00 C ATOM 830 SD MET A 58 31.449 -8.769 -29.623 1.00 0.00 S ATOM 831 CE MET A 58 30.312 -7.644 -28.785 1.00 0.00 C ATOM 0 H MET A 58 30.659 -12.780 -33.036 1.00 0.00 H new ATOM 0 HA MET A 58 29.549 -12.642 -30.236 1.00 0.00 H new ATOM 0 HB2 MET A 58 31.723 -11.464 -30.627 1.00 0.00 H new ATOM 0 HB3 MET A 58 30.982 -10.538 -31.918 1.00 0.00 H new ATOM 0 HG2 MET A 58 29.311 -9.612 -30.326 1.00 0.00 H new ATOM 0 HG3 MET A 58 29.985 -10.580 -29.030 1.00 0.00 H new ATOM 0 HE1 MET A 58 30.881 -6.895 -28.235 1.00 0.00 H new ATOM 0 HE2 MET A 58 29.679 -7.150 -29.522 1.00 0.00 H new ATOM 0 HE3 MET A 58 29.688 -8.207 -28.091 1.00 0.00 H new ATOM 841 N PRO A 59 27.481 -11.400 -30.891 1.00 0.00 N ATOM 842 CA PRO A 59 26.135 -10.918 -31.271 1.00 0.00 C ATOM 843 C PRO A 59 26.071 -9.418 -31.605 1.00 0.00 C ATOM 844 O PRO A 59 26.045 -8.570 -30.734 1.00 0.00 O ATOM 845 CB PRO A 59 25.282 -11.243 -30.039 1.00 0.00 C ATOM 846 CG PRO A 59 26.252 -11.380 -28.849 1.00 0.00 C ATOM 847 CD PRO A 59 27.646 -11.620 -29.437 1.00 0.00 C ATOM 0 HA PRO A 59 25.795 -11.395 -32.190 1.00 0.00 H new ATOM 0 HB2 PRO A 59 24.553 -10.454 -29.855 1.00 0.00 H new ATOM 0 HB3 PRO A 59 24.722 -12.166 -30.189 1.00 0.00 H new ATOM 0 HG2 PRO A 59 26.241 -10.479 -28.236 1.00 0.00 H new ATOM 0 HG3 PRO A 59 25.957 -12.208 -28.204 1.00 0.00 H new ATOM 0 HD2 PRO A 59 28.379 -10.933 -29.013 1.00 0.00 H new ATOM 0 HD3 PRO A 59 27.997 -12.630 -29.226 1.00 0.00 H new ATOM 855 N ALA A 60 25.992 -9.104 -32.876 1.00 0.00 N ATOM 856 CA ALA A 60 25.868 -7.691 -33.326 1.00 0.00 C ATOM 857 C ALA A 60 24.713 -7.017 -32.598 1.00 0.00 C ATOM 858 O ALA A 60 23.581 -7.449 -32.683 1.00 0.00 O ATOM 859 CB ALA A 60 25.551 -7.709 -34.825 1.00 0.00 C ATOM 0 H ALA A 60 26.009 -9.787 -33.633 1.00 0.00 H new ATOM 0 HA ALA A 60 26.791 -7.149 -33.119 1.00 0.00 H new ATOM 0 HB1 ALA A 60 25.453 -6.686 -35.189 1.00 0.00 H new ATOM 0 HB2 ALA A 60 26.357 -8.209 -35.361 1.00 0.00 H new ATOM 0 HB3 ALA A 60 24.617 -8.245 -34.993 1.00 0.00 H new ATOM 865 N PHE A 61 24.972 -5.950 -31.898 1.00 0.00 N ATOM 866 CA PHE A 61 23.881 -5.264 -31.203 1.00 0.00 C ATOM 867 C PHE A 61 23.344 -4.170 -32.108 1.00 0.00 C ATOM 868 O PHE A 61 22.172 -4.141 -32.421 1.00 0.00 O ATOM 869 CB PHE A 61 24.414 -4.663 -29.912 1.00 0.00 C ATOM 870 CG PHE A 61 24.699 -5.789 -28.960 1.00 0.00 C ATOM 871 CD1 PHE A 61 23.670 -6.661 -28.603 1.00 0.00 C ATOM 872 CD2 PHE A 61 25.985 -5.967 -28.442 1.00 0.00 C ATOM 873 CE1 PHE A 61 23.923 -7.716 -27.721 1.00 0.00 C ATOM 874 CE2 PHE A 61 26.241 -7.022 -27.561 1.00 0.00 C ATOM 875 CZ PHE A 61 25.209 -7.895 -27.201 1.00 0.00 C ATOM 0 H PHE A 61 25.896 -5.533 -31.784 1.00 0.00 H new ATOM 0 HA PHE A 61 23.080 -5.963 -30.963 1.00 0.00 H new ATOM 0 HB2 PHE A 61 25.320 -4.088 -30.105 1.00 0.00 H new ATOM 0 HB3 PHE A 61 23.685 -3.976 -29.482 1.00 0.00 H new ATOM 0 HD1 PHE A 61 22.679 -6.521 -29.008 1.00 0.00 H new ATOM 0 HD2 PHE A 61 26.779 -5.291 -28.722 1.00 0.00 H new ATOM 0 HE1 PHE A 61 23.127 -8.391 -27.442 1.00 0.00 H new ATOM 0 HE2 PHE A 61 27.234 -7.163 -27.159 1.00 0.00 H new ATOM 0 HZ PHE A 61 25.406 -8.710 -26.520 1.00 0.00 H new ATOM 885 N ALA A 62 24.216 -3.288 -32.542 1.00 0.00 N ATOM 886 CA ALA A 62 23.806 -2.166 -33.447 1.00 0.00 C ATOM 887 C ALA A 62 22.337 -1.810 -33.212 1.00 0.00 C ATOM 888 O ALA A 62 21.598 -1.541 -34.139 1.00 0.00 O ATOM 889 CB ALA A 62 23.996 -2.594 -34.903 1.00 0.00 C ATOM 0 H ALA A 62 25.208 -3.299 -32.304 1.00 0.00 H new ATOM 0 HA ALA A 62 24.423 -1.293 -33.234 1.00 0.00 H new ATOM 0 HB1 ALA A 62 23.698 -1.780 -35.563 1.00 0.00 H new ATOM 0 HB2 ALA A 62 25.044 -2.838 -35.077 1.00 0.00 H new ATOM 0 HB3 ALA A 62 23.381 -3.470 -35.108 1.00 0.00 H new ATOM 895 N GLY A 63 21.900 -1.827 -31.982 1.00 0.00 N ATOM 896 CA GLY A 63 20.470 -1.511 -31.712 1.00 0.00 C ATOM 897 C GLY A 63 20.084 -1.917 -30.287 1.00 0.00 C ATOM 898 O GLY A 63 19.068 -1.494 -29.773 1.00 0.00 O ATOM 0 H GLY A 63 22.465 -2.044 -31.161 1.00 0.00 H new ATOM 0 HA2 GLY A 63 20.296 -0.444 -31.851 1.00 0.00 H new ATOM 0 HA3 GLY A 63 19.836 -2.033 -32.428 1.00 0.00 H new ATOM 902 N ARG A 64 20.878 -2.723 -29.635 1.00 0.00 N ATOM 903 CA ARG A 64 20.539 -3.126 -28.256 1.00 0.00 C ATOM 904 C ARG A 64 21.407 -2.294 -27.337 1.00 0.00 C ATOM 905 O ARG A 64 21.040 -1.958 -26.228 1.00 0.00 O ATOM 906 CB ARG A 64 20.842 -4.613 -28.074 1.00 0.00 C ATOM 907 CG ARG A 64 20.666 -4.990 -26.610 1.00 0.00 C ATOM 908 CD ARG A 64 21.879 -5.798 -26.175 1.00 0.00 C ATOM 909 NE ARG A 64 21.577 -7.249 -26.322 1.00 0.00 N ATOM 910 CZ ARG A 64 21.457 -8.000 -25.262 1.00 0.00 C ATOM 911 NH1 ARG A 64 20.505 -7.763 -24.402 1.00 0.00 N ATOM 912 NH2 ARG A 64 22.288 -8.986 -25.063 1.00 0.00 N ATOM 0 H ARG A 64 21.744 -3.115 -30.004 1.00 0.00 H new ATOM 0 HA ARG A 64 19.483 -2.968 -28.037 1.00 0.00 H new ATOM 0 HB2 ARG A 64 20.176 -5.210 -28.697 1.00 0.00 H new ATOM 0 HB3 ARG A 64 21.860 -4.830 -28.397 1.00 0.00 H new ATOM 0 HG2 ARG A 64 20.567 -4.094 -25.997 1.00 0.00 H new ATOM 0 HG3 ARG A 64 19.754 -5.572 -26.475 1.00 0.00 H new ATOM 0 HD2 ARG A 64 22.745 -5.531 -26.780 1.00 0.00 H new ATOM 0 HD3 ARG A 64 22.131 -5.570 -25.139 1.00 0.00 H new ATOM 0 HE ARG A 64 21.464 -7.655 -27.251 1.00 0.00 H new ATOM 0 HH11 ARG A 64 19.856 -6.992 -24.559 1.00 0.00 H new ATOM 0 HH12 ARG A 64 20.409 -8.349 -23.573 1.00 0.00 H new ATOM 0 HH21 ARG A 64 23.032 -9.170 -25.736 1.00 0.00 H new ATOM 0 HH22 ARG A 64 22.194 -9.573 -24.234 1.00 0.00 H new ATOM 926 N LEU A 65 22.558 -1.931 -27.827 1.00 0.00 N ATOM 927 CA LEU A 65 23.471 -1.088 -27.039 1.00 0.00 C ATOM 928 C LEU A 65 23.231 0.367 -27.427 1.00 0.00 C ATOM 929 O LEU A 65 23.456 0.773 -28.548 1.00 0.00 O ATOM 930 CB LEU A 65 24.917 -1.473 -27.342 1.00 0.00 C ATOM 931 CG LEU A 65 25.359 -2.558 -26.364 1.00 0.00 C ATOM 932 CD1 LEU A 65 24.682 -3.877 -26.724 1.00 0.00 C ATOM 933 CD2 LEU A 65 26.877 -2.717 -26.430 1.00 0.00 C ATOM 0 H LEU A 65 22.901 -2.190 -28.752 1.00 0.00 H new ATOM 0 HA LEU A 65 23.289 -1.227 -25.973 1.00 0.00 H new ATOM 0 HB2 LEU A 65 25.004 -1.833 -28.367 1.00 0.00 H new ATOM 0 HB3 LEU A 65 25.565 -0.601 -27.254 1.00 0.00 H new ATOM 0 HG LEU A 65 25.073 -2.274 -25.351 1.00 0.00 H new ATOM 0 HD11 LEU A 65 24.998 -4.651 -26.025 1.00 0.00 H new ATOM 0 HD12 LEU A 65 23.600 -3.758 -26.668 1.00 0.00 H new ATOM 0 HD13 LEU A 65 24.963 -4.166 -27.737 1.00 0.00 H new ATOM 0 HD21 LEU A 65 27.192 -3.492 -25.731 1.00 0.00 H new ATOM 0 HD22 LEU A 65 27.170 -2.999 -27.441 1.00 0.00 H new ATOM 0 HD23 LEU A 65 27.354 -1.773 -26.164 1.00 0.00 H new ATOM 945 N THR A 66 22.743 1.130 -26.503 1.00 0.00 N ATOM 946 CA THR A 66 22.448 2.575 -26.761 1.00 0.00 C ATOM 947 C THR A 66 23.601 3.222 -27.545 1.00 0.00 C ATOM 948 O THR A 66 24.584 2.589 -27.859 1.00 0.00 O ATOM 949 CB THR A 66 22.265 3.299 -25.420 1.00 0.00 C ATOM 950 OG1 THR A 66 21.526 2.470 -24.534 1.00 0.00 O ATOM 951 CG2 THR A 66 21.505 4.603 -25.651 1.00 0.00 C ATOM 0 H THR A 66 22.528 0.816 -25.557 1.00 0.00 H new ATOM 0 HA THR A 66 21.535 2.655 -27.352 1.00 0.00 H new ATOM 0 HB THR A 66 23.240 3.517 -24.985 1.00 0.00 H new ATOM 0 HG1 THR A 66 21.410 2.930 -23.676 1.00 0.00 H new ATOM 0 HG21 THR A 66 21.373 5.120 -24.701 1.00 0.00 H new ATOM 0 HG22 THR A 66 22.070 5.237 -26.334 1.00 0.00 H new ATOM 0 HG23 THR A 66 20.529 4.383 -26.083 1.00 0.00 H new ATOM 959 N ASP A 67 23.486 4.486 -27.862 1.00 0.00 N ATOM 960 CA ASP A 67 24.565 5.167 -28.623 1.00 0.00 C ATOM 961 C ASP A 67 25.734 5.451 -27.685 1.00 0.00 C ATOM 962 O ASP A 67 26.822 4.938 -27.852 1.00 0.00 O ATOM 963 CB ASP A 67 24.035 6.483 -29.195 1.00 0.00 C ATOM 964 CG ASP A 67 24.183 6.472 -30.717 1.00 0.00 C ATOM 965 OD1 ASP A 67 23.826 5.474 -31.321 1.00 0.00 O ATOM 966 OD2 ASP A 67 24.650 7.463 -31.254 1.00 0.00 O ATOM 0 H ASP A 67 22.687 5.074 -27.624 1.00 0.00 H new ATOM 0 HA ASP A 67 24.898 4.528 -29.441 1.00 0.00 H new ATOM 0 HB2 ASP A 67 22.988 6.616 -28.921 1.00 0.00 H new ATOM 0 HB3 ASP A 67 24.584 7.324 -28.771 1.00 0.00 H new ATOM 971 N GLU A 68 25.504 6.248 -26.681 1.00 0.00 N ATOM 972 CA GLU A 68 26.582 6.561 -25.702 1.00 0.00 C ATOM 973 C GLU A 68 27.023 5.271 -25.001 1.00 0.00 C ATOM 974 O GLU A 68 27.988 5.247 -24.278 1.00 0.00 O ATOM 975 CB GLU A 68 26.026 7.527 -24.662 1.00 0.00 C ATOM 976 CG GLU A 68 25.570 8.815 -25.351 1.00 0.00 C ATOM 977 CD GLU A 68 24.682 9.616 -24.396 1.00 0.00 C ATOM 978 OE1 GLU A 68 23.578 9.170 -24.128 1.00 0.00 O ATOM 979 OE2 GLU A 68 25.122 10.663 -23.949 1.00 0.00 O ATOM 0 H GLU A 68 24.609 6.700 -26.495 1.00 0.00 H new ATOM 0 HA GLU A 68 27.434 7.006 -26.215 1.00 0.00 H new ATOM 0 HB2 GLU A 68 25.189 7.068 -24.135 1.00 0.00 H new ATOM 0 HB3 GLU A 68 26.788 7.752 -23.916 1.00 0.00 H new ATOM 0 HG2 GLU A 68 26.435 9.409 -25.645 1.00 0.00 H new ATOM 0 HG3 GLU A 68 25.021 8.578 -26.263 1.00 0.00 H new ATOM 986 N GLN A 69 26.297 4.209 -25.210 1.00 0.00 N ATOM 987 CA GLN A 69 26.614 2.890 -24.581 1.00 0.00 C ATOM 988 C GLN A 69 27.447 2.089 -25.574 1.00 0.00 C ATOM 989 O GLN A 69 28.352 1.381 -25.209 1.00 0.00 O ATOM 990 CB GLN A 69 25.297 2.169 -24.312 1.00 0.00 C ATOM 991 CG GLN A 69 24.649 2.693 -23.026 1.00 0.00 C ATOM 992 CD GLN A 69 24.615 4.202 -23.091 1.00 0.00 C ATOM 993 OE1 GLN A 69 23.596 4.797 -23.385 1.00 0.00 O ATOM 994 NE2 GLN A 69 25.693 4.855 -22.814 1.00 0.00 N ATOM 0 H GLN A 69 25.471 4.198 -25.809 1.00 0.00 H new ATOM 0 HA GLN A 69 27.164 3.011 -23.648 1.00 0.00 H new ATOM 0 HB2 GLN A 69 24.619 2.314 -25.153 1.00 0.00 H new ATOM 0 HB3 GLN A 69 25.474 1.097 -24.226 1.00 0.00 H new ATOM 0 HG2 GLN A 69 23.640 2.295 -22.920 1.00 0.00 H new ATOM 0 HG3 GLN A 69 25.215 2.363 -22.155 1.00 0.00 H new ATOM 0 HE21 GLN A 69 26.545 4.352 -22.568 1.00 0.00 H new ATOM 0 HE22 GLN A 69 25.693 5.875 -22.841 1.00 0.00 H new ATOM 1003 N ILE A 70 27.174 2.239 -26.837 1.00 0.00 N ATOM 1004 CA ILE A 70 27.990 1.535 -27.860 1.00 0.00 C ATOM 1005 C ILE A 70 29.363 2.198 -27.845 1.00 0.00 C ATOM 1006 O ILE A 70 30.334 1.697 -28.377 1.00 0.00 O ATOM 1007 CB ILE A 70 27.340 1.713 -29.235 1.00 0.00 C ATOM 1008 CG1 ILE A 70 26.207 0.703 -29.375 1.00 0.00 C ATOM 1009 CG2 ILE A 70 28.372 1.479 -30.342 1.00 0.00 C ATOM 1010 CD1 ILE A 70 26.797 -0.706 -29.350 1.00 0.00 C ATOM 0 H ILE A 70 26.420 2.819 -27.206 1.00 0.00 H new ATOM 0 HA ILE A 70 28.066 0.468 -27.652 1.00 0.00 H new ATOM 0 HB ILE A 70 26.953 2.728 -29.326 1.00 0.00 H new ATOM 0 HG12 ILE A 70 25.489 0.826 -28.564 1.00 0.00 H new ATOM 0 HG13 ILE A 70 25.666 0.869 -30.307 1.00 0.00 H new ATOM 0 HG21 ILE A 70 27.898 1.608 -31.315 1.00 0.00 H new ATOM 0 HG22 ILE A 70 29.187 2.196 -30.237 1.00 0.00 H new ATOM 0 HG23 ILE A 70 28.767 0.466 -30.263 1.00 0.00 H new ATOM 0 HD11 ILE A 70 25.995 -1.438 -29.449 1.00 0.00 H new ATOM 0 HD12 ILE A 70 27.498 -0.821 -30.176 1.00 0.00 H new ATOM 0 HD13 ILE A 70 27.319 -0.865 -28.406 1.00 0.00 H new ATOM 1022 N GLN A 71 29.418 3.342 -27.229 1.00 0.00 N ATOM 1023 CA GLN A 71 30.655 4.119 -27.128 1.00 0.00 C ATOM 1024 C GLN A 71 31.309 3.843 -25.785 1.00 0.00 C ATOM 1025 O GLN A 71 32.349 3.227 -25.679 1.00 0.00 O ATOM 1026 CB GLN A 71 30.249 5.584 -27.163 1.00 0.00 C ATOM 1027 CG GLN A 71 30.359 6.119 -28.588 1.00 0.00 C ATOM 1028 CD GLN A 71 29.482 5.285 -29.520 1.00 0.00 C ATOM 1029 OE1 GLN A 71 29.938 4.324 -30.107 1.00 0.00 O ATOM 1030 NE2 GLN A 71 28.231 5.618 -29.682 1.00 0.00 N ATOM 0 H GLN A 71 28.615 3.778 -26.776 1.00 0.00 H new ATOM 0 HA GLN A 71 31.346 3.864 -27.932 1.00 0.00 H new ATOM 0 HB2 GLN A 71 29.227 5.696 -26.801 1.00 0.00 H new ATOM 0 HB3 GLN A 71 30.888 6.164 -26.497 1.00 0.00 H new ATOM 0 HG2 GLN A 71 30.049 7.164 -28.619 1.00 0.00 H new ATOM 0 HG3 GLN A 71 31.396 6.084 -28.921 1.00 0.00 H new ATOM 0 HE21 GLN A 71 27.850 6.425 -29.188 1.00 0.00 H new ATOM 0 HE22 GLN A 71 27.634 5.071 -30.302 1.00 0.00 H new ATOM 1039 N ASP A 72 30.681 4.328 -24.764 1.00 0.00 N ATOM 1040 CA ASP A 72 31.182 4.160 -23.391 1.00 0.00 C ATOM 1041 C ASP A 72 31.460 2.692 -23.104 1.00 0.00 C ATOM 1042 O ASP A 72 32.355 2.385 -22.367 1.00 0.00 O ATOM 1043 CB ASP A 72 30.116 4.664 -22.429 1.00 0.00 C ATOM 1044 CG ASP A 72 30.268 6.175 -22.247 1.00 0.00 C ATOM 1045 OD1 ASP A 72 31.341 6.680 -22.533 1.00 0.00 O ATOM 1046 OD2 ASP A 72 29.307 6.801 -21.832 1.00 0.00 O ATOM 0 H ASP A 72 29.809 4.853 -24.831 1.00 0.00 H new ATOM 0 HA ASP A 72 32.109 4.721 -23.270 1.00 0.00 H new ATOM 0 HB2 ASP A 72 29.123 4.431 -22.815 1.00 0.00 H new ATOM 0 HB3 ASP A 72 30.211 4.160 -21.467 1.00 0.00 H new ATOM 1051 N VAL A 73 30.688 1.790 -23.662 1.00 0.00 N ATOM 1052 CA VAL A 73 30.904 0.337 -23.400 1.00 0.00 C ATOM 1053 C VAL A 73 32.210 -0.125 -24.064 1.00 0.00 C ATOM 1054 O VAL A 73 32.887 -1.011 -23.587 1.00 0.00 O ATOM 1055 CB VAL A 73 29.738 -0.480 -23.958 1.00 0.00 C ATOM 1056 CG1 VAL A 73 29.870 -0.627 -25.475 1.00 0.00 C ATOM 1057 CG2 VAL A 73 29.764 -1.865 -23.326 1.00 0.00 C ATOM 0 H VAL A 73 29.914 2.002 -24.291 1.00 0.00 H new ATOM 0 HA VAL A 73 30.967 0.183 -22.323 1.00 0.00 H new ATOM 0 HB VAL A 73 28.802 0.030 -23.729 1.00 0.00 H new ATOM 0 HG11 VAL A 73 29.033 -1.211 -25.858 1.00 0.00 H new ATOM 0 HG12 VAL A 73 29.866 0.360 -25.938 1.00 0.00 H new ATOM 0 HG13 VAL A 73 30.805 -1.135 -25.711 1.00 0.00 H new ATOM 0 HG21 VAL A 73 28.937 -2.458 -23.716 1.00 0.00 H new ATOM 0 HG22 VAL A 73 30.707 -2.356 -23.565 1.00 0.00 H new ATOM 0 HG23 VAL A 73 29.667 -1.773 -22.244 1.00 0.00 H new ATOM 1067 N ALA A 74 32.586 0.469 -25.157 1.00 0.00 N ATOM 1068 CA ALA A 74 33.861 0.056 -25.787 1.00 0.00 C ATOM 1069 C ALA A 74 34.962 0.646 -24.921 1.00 0.00 C ATOM 1070 O ALA A 74 35.773 -0.054 -24.342 1.00 0.00 O ATOM 1071 CB ALA A 74 33.952 0.604 -27.210 1.00 0.00 C ATOM 0 H ALA A 74 32.074 1.211 -25.634 1.00 0.00 H new ATOM 0 HA ALA A 74 33.942 -1.029 -25.854 1.00 0.00 H new ATOM 0 HB1 ALA A 74 34.894 0.292 -27.660 1.00 0.00 H new ATOM 0 HB2 ALA A 74 33.122 0.219 -27.802 1.00 0.00 H new ATOM 0 HB3 ALA A 74 33.905 1.693 -27.184 1.00 0.00 H new ATOM 1077 N ALA A 75 34.941 1.937 -24.768 1.00 0.00 N ATOM 1078 CA ALA A 75 35.921 2.589 -23.876 1.00 0.00 C ATOM 1079 C ALA A 75 35.700 2.004 -22.477 1.00 0.00 C ATOM 1080 O ALA A 75 36.555 2.058 -21.617 1.00 0.00 O ATOM 1081 CB ALA A 75 35.653 4.097 -23.860 1.00 0.00 C ATOM 0 H ALA A 75 34.283 2.568 -25.226 1.00 0.00 H new ATOM 0 HA ALA A 75 36.945 2.421 -24.209 1.00 0.00 H new ATOM 0 HB1 ALA A 75 36.372 4.587 -23.204 1.00 0.00 H new ATOM 0 HB2 ALA A 75 35.753 4.495 -24.870 1.00 0.00 H new ATOM 0 HB3 ALA A 75 34.643 4.283 -23.495 1.00 0.00 H new ATOM 1087 N TYR A 76 34.541 1.422 -22.269 1.00 0.00 N ATOM 1088 CA TYR A 76 34.211 0.806 -20.953 1.00 0.00 C ATOM 1089 C TYR A 76 35.152 -0.362 -20.729 1.00 0.00 C ATOM 1090 O TYR A 76 35.656 -0.571 -19.648 1.00 0.00 O ATOM 1091 CB TYR A 76 32.769 0.272 -20.974 1.00 0.00 C ATOM 1092 CG TYR A 76 32.515 -0.543 -19.743 1.00 0.00 C ATOM 1093 CD1 TYR A 76 32.125 0.086 -18.590 1.00 0.00 C ATOM 1094 CD2 TYR A 76 32.673 -1.919 -19.763 1.00 0.00 C ATOM 1095 CE1 TYR A 76 31.893 -0.643 -17.439 1.00 0.00 C ATOM 1096 CE2 TYR A 76 32.436 -2.669 -18.608 1.00 0.00 C ATOM 1097 CZ TYR A 76 32.047 -2.026 -17.439 1.00 0.00 C ATOM 1098 OH TYR A 76 31.814 -2.752 -16.289 1.00 0.00 O ATOM 0 H TYR A 76 33.803 1.350 -22.969 1.00 0.00 H new ATOM 0 HA TYR A 76 34.312 1.549 -20.162 1.00 0.00 H new ATOM 0 HB2 TYR A 76 32.064 1.102 -21.024 1.00 0.00 H new ATOM 0 HB3 TYR A 76 32.609 -0.336 -21.864 1.00 0.00 H new ATOM 0 HD1 TYR A 76 31.998 1.158 -18.581 1.00 0.00 H new ATOM 0 HD2 TYR A 76 32.980 -2.413 -20.673 1.00 0.00 H new ATOM 0 HE1 TYR A 76 31.590 -0.136 -16.534 1.00 0.00 H new ATOM 0 HE2 TYR A 76 32.554 -3.742 -18.624 1.00 0.00 H new ATOM 0 HH TYR A 76 32.668 -3.055 -15.915 1.00 0.00 H new ATOM 1108 N VAL A 77 35.389 -1.131 -21.752 1.00 0.00 N ATOM 1109 CA VAL A 77 36.298 -2.287 -21.609 1.00 0.00 C ATOM 1110 C VAL A 77 37.725 -1.768 -21.507 1.00 0.00 C ATOM 1111 O VAL A 77 38.595 -2.410 -20.950 1.00 0.00 O ATOM 1112 CB VAL A 77 36.161 -3.206 -22.826 1.00 0.00 C ATOM 1113 CG1 VAL A 77 37.318 -4.208 -22.845 1.00 0.00 C ATOM 1114 CG2 VAL A 77 34.833 -3.960 -22.745 1.00 0.00 C ATOM 0 H VAL A 77 34.989 -1.004 -22.682 1.00 0.00 H new ATOM 0 HA VAL A 77 36.045 -2.855 -20.714 1.00 0.00 H new ATOM 0 HB VAL A 77 36.186 -2.609 -23.737 1.00 0.00 H new ATOM 0 HG11 VAL A 77 37.219 -4.861 -23.712 1.00 0.00 H new ATOM 0 HG12 VAL A 77 38.264 -3.670 -22.902 1.00 0.00 H new ATOM 0 HG13 VAL A 77 37.296 -4.807 -21.935 1.00 0.00 H new ATOM 0 HG21 VAL A 77 34.733 -4.615 -23.610 1.00 0.00 H new ATOM 0 HG22 VAL A 77 34.809 -4.557 -21.833 1.00 0.00 H new ATOM 0 HG23 VAL A 77 34.009 -3.246 -22.733 1.00 0.00 H new ATOM 1124 N LEU A 78 37.969 -0.598 -22.025 1.00 0.00 N ATOM 1125 CA LEU A 78 39.338 -0.029 -21.941 1.00 0.00 C ATOM 1126 C LEU A 78 39.485 0.689 -20.596 1.00 0.00 C ATOM 1127 O LEU A 78 40.556 1.130 -20.225 1.00 0.00 O ATOM 1128 CB LEU A 78 39.551 0.962 -23.091 1.00 0.00 C ATOM 1129 CG LEU A 78 38.795 0.489 -24.346 1.00 0.00 C ATOM 1130 CD1 LEU A 78 39.403 1.155 -25.583 1.00 0.00 C ATOM 1131 CD2 LEU A 78 38.902 -1.031 -24.488 1.00 0.00 C ATOM 0 H LEU A 78 37.281 -0.014 -22.501 1.00 0.00 H new ATOM 0 HA LEU A 78 40.082 -0.822 -22.018 1.00 0.00 H new ATOM 0 HB2 LEU A 78 39.201 1.952 -22.798 1.00 0.00 H new ATOM 0 HB3 LEU A 78 40.615 1.053 -23.311 1.00 0.00 H new ATOM 0 HG LEU A 78 37.744 0.764 -24.252 1.00 0.00 H new ATOM 0 HD11 LEU A 78 38.870 0.823 -26.474 1.00 0.00 H new ATOM 0 HD12 LEU A 78 39.318 2.238 -25.492 1.00 0.00 H new ATOM 0 HD13 LEU A 78 40.454 0.879 -25.665 1.00 0.00 H new ATOM 0 HD21 LEU A 78 38.363 -1.352 -25.379 1.00 0.00 H new ATOM 0 HD22 LEU A 78 39.951 -1.315 -24.576 1.00 0.00 H new ATOM 0 HD23 LEU A 78 38.469 -1.510 -23.610 1.00 0.00 H new ATOM 1143 N ASP A 79 38.406 0.818 -19.869 1.00 0.00 N ATOM 1144 CA ASP A 79 38.442 1.506 -18.565 1.00 0.00 C ATOM 1145 C ASP A 79 38.503 0.467 -17.450 1.00 0.00 C ATOM 1146 O ASP A 79 39.136 0.649 -16.431 1.00 0.00 O ATOM 1147 CB ASP A 79 37.151 2.300 -18.423 1.00 0.00 C ATOM 1148 CG ASP A 79 37.409 3.573 -17.614 1.00 0.00 C ATOM 1149 OD1 ASP A 79 38.558 3.821 -17.289 1.00 0.00 O ATOM 1150 OD2 ASP A 79 36.453 4.278 -17.334 1.00 0.00 O ATOM 0 H ASP A 79 37.488 0.465 -20.138 1.00 0.00 H new ATOM 0 HA ASP A 79 39.312 2.160 -18.502 1.00 0.00 H new ATOM 0 HB2 ASP A 79 36.762 2.557 -19.408 1.00 0.00 H new ATOM 0 HB3 ASP A 79 36.393 1.692 -17.929 1.00 0.00 H new ATOM 1155 N GLN A 80 37.813 -0.615 -17.650 1.00 0.00 N ATOM 1156 CA GLN A 80 37.760 -1.697 -16.637 1.00 0.00 C ATOM 1157 C GLN A 80 39.034 -2.539 -16.697 1.00 0.00 C ATOM 1158 O GLN A 80 39.567 -2.951 -15.686 1.00 0.00 O ATOM 1159 CB GLN A 80 36.564 -2.589 -16.959 1.00 0.00 C ATOM 1160 CG GLN A 80 35.331 -1.729 -17.229 1.00 0.00 C ATOM 1161 CD GLN A 80 34.451 -1.685 -15.978 1.00 0.00 C ATOM 1162 OE1 GLN A 80 34.011 -2.708 -15.493 1.00 0.00 O ATOM 1163 NE2 GLN A 80 34.176 -0.532 -15.430 1.00 0.00 N ATOM 0 H GLN A 80 37.270 -0.799 -18.494 1.00 0.00 H new ATOM 0 HA GLN A 80 37.668 -1.264 -15.641 1.00 0.00 H new ATOM 0 HB2 GLN A 80 36.784 -3.207 -17.829 1.00 0.00 H new ATOM 0 HB3 GLN A 80 36.370 -3.267 -16.127 1.00 0.00 H new ATOM 0 HG2 GLN A 80 35.633 -0.720 -17.509 1.00 0.00 H new ATOM 0 HG3 GLN A 80 34.767 -2.137 -18.068 1.00 0.00 H new ATOM 0 HE21 GLN A 80 34.545 0.327 -15.837 1.00 0.00 H new ATOM 0 HE22 GLN A 80 33.592 -0.491 -14.595 1.00 0.00 H new ATOM 1172 N ALA A 81 39.513 -2.810 -17.876 1.00 0.00 N ATOM 1173 CA ALA A 81 40.742 -3.642 -18.004 1.00 0.00 C ATOM 1174 C ALA A 81 41.922 -2.932 -17.341 1.00 0.00 C ATOM 1175 O ALA A 81 42.778 -3.555 -16.744 1.00 0.00 O ATOM 1176 CB ALA A 81 41.052 -3.867 -19.485 1.00 0.00 C ATOM 0 H ALA A 81 39.108 -2.493 -18.757 1.00 0.00 H new ATOM 0 HA ALA A 81 40.578 -4.601 -17.513 1.00 0.00 H new ATOM 0 HB1 ALA A 81 41.951 -4.476 -19.580 1.00 0.00 H new ATOM 0 HB2 ALA A 81 40.215 -4.380 -19.958 1.00 0.00 H new ATOM 0 HB3 ALA A 81 41.211 -2.906 -19.974 1.00 0.00 H new ATOM 1182 N ALA A 82 41.991 -1.639 -17.464 1.00 0.00 N ATOM 1183 CA ALA A 82 43.124 -0.897 -16.869 1.00 0.00 C ATOM 1184 C ALA A 82 42.807 -0.475 -15.432 1.00 0.00 C ATOM 1185 O ALA A 82 43.489 0.359 -14.871 1.00 0.00 O ATOM 1186 CB ALA A 82 43.401 0.354 -17.707 1.00 0.00 C ATOM 0 H ALA A 82 41.306 -1.064 -17.954 1.00 0.00 H new ATOM 0 HA ALA A 82 43.997 -1.549 -16.857 1.00 0.00 H new ATOM 0 HB1 ALA A 82 44.235 0.905 -17.273 1.00 0.00 H new ATOM 0 HB2 ALA A 82 43.651 0.061 -18.727 1.00 0.00 H new ATOM 0 HB3 ALA A 82 42.514 0.988 -17.719 1.00 0.00 H new ATOM 1192 N LYS A 83 41.783 -1.016 -14.821 1.00 0.00 N ATOM 1193 CA LYS A 83 41.484 -0.578 -13.426 1.00 0.00 C ATOM 1194 C LYS A 83 40.830 -1.683 -12.591 1.00 0.00 C ATOM 1195 O LYS A 83 40.070 -1.406 -11.686 1.00 0.00 O ATOM 1196 CB LYS A 83 40.566 0.646 -13.462 1.00 0.00 C ATOM 1197 CG LYS A 83 39.131 0.209 -13.765 1.00 0.00 C ATOM 1198 CD LYS A 83 38.278 1.442 -14.072 1.00 0.00 C ATOM 1199 CE LYS A 83 38.190 2.325 -12.827 1.00 0.00 C ATOM 1200 NZ LYS A 83 38.280 3.759 -13.225 1.00 0.00 N ATOM 0 H LYS A 83 41.159 -1.721 -15.214 1.00 0.00 H new ATOM 0 HA LYS A 83 42.434 -0.331 -12.951 1.00 0.00 H new ATOM 0 HB2 LYS A 83 40.603 1.168 -12.506 1.00 0.00 H new ATOM 0 HB3 LYS A 83 40.910 1.348 -14.222 1.00 0.00 H new ATOM 0 HG2 LYS A 83 39.119 -0.475 -14.613 1.00 0.00 H new ATOM 0 HG3 LYS A 83 38.716 -0.331 -12.914 1.00 0.00 H new ATOM 0 HD2 LYS A 83 38.715 2.003 -14.898 1.00 0.00 H new ATOM 0 HD3 LYS A 83 37.280 1.137 -14.386 1.00 0.00 H new ATOM 0 HE2 LYS A 83 37.252 2.140 -12.303 1.00 0.00 H new ATOM 0 HE3 LYS A 83 38.995 2.078 -12.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 38.220 4.359 -12.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 39.186 3.929 -13.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 37.497 3.990 -13.869 1.00 0.00 H new ATOM 1214 N GLY A 84 41.124 -2.924 -12.850 1.00 0.00 N ATOM 1215 CA GLY A 84 40.518 -3.998 -12.021 1.00 0.00 C ATOM 1216 C GLY A 84 39.144 -4.358 -12.566 1.00 0.00 C ATOM 1217 O GLY A 84 38.133 -4.007 -12.002 1.00 0.00 O ATOM 0 H GLY A 84 41.750 -3.239 -13.591 1.00 0.00 H new ATOM 0 HA2 GLY A 84 41.162 -4.878 -12.022 1.00 0.00 H new ATOM 0 HA3 GLY A 84 40.433 -3.667 -10.986 1.00 0.00 H new ATOM 1221 N TRP A 85 39.118 -5.050 -13.666 1.00 0.00 N ATOM 1222 CA TRP A 85 37.826 -5.468 -14.299 1.00 0.00 C ATOM 1223 C TRP A 85 36.818 -5.921 -13.235 1.00 0.00 C ATOM 1224 O TRP A 85 36.681 -7.097 -12.960 1.00 0.00 O ATOM 1225 CB TRP A 85 38.075 -6.643 -15.247 1.00 0.00 C ATOM 1226 CG TRP A 85 37.933 -6.185 -16.655 1.00 0.00 C ATOM 1227 CD1 TRP A 85 38.899 -6.221 -17.594 1.00 0.00 C ATOM 1228 CD2 TRP A 85 36.764 -5.621 -17.289 1.00 0.00 C ATOM 1229 NE1 TRP A 85 38.387 -5.708 -18.772 1.00 0.00 N ATOM 1230 CE2 TRP A 85 37.072 -5.326 -18.632 1.00 0.00 C ATOM 1231 CE3 TRP A 85 35.481 -5.342 -16.824 1.00 0.00 C ATOM 1232 CZ2 TRP A 85 36.127 -4.769 -19.490 1.00 0.00 C ATOM 1233 CZ3 TRP A 85 34.524 -4.776 -17.679 1.00 0.00 C ATOM 1234 CH2 TRP A 85 34.843 -4.489 -19.011 1.00 0.00 C ATOM 0 H TRP A 85 39.952 -5.353 -14.169 1.00 0.00 H new ATOM 0 HA TRP A 85 37.424 -4.612 -14.841 1.00 0.00 H new ATOM 0 HB2 TRP A 85 39.073 -7.049 -15.085 1.00 0.00 H new ATOM 0 HB3 TRP A 85 37.367 -7.446 -15.042 1.00 0.00 H new ATOM 0 HD1 TRP A 85 39.904 -6.589 -17.451 1.00 0.00 H new ATOM 0 HE1 TRP A 85 38.919 -5.623 -19.638 1.00 0.00 H new ATOM 0 HE3 TRP A 85 35.222 -5.563 -15.799 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 36.383 -4.555 -20.517 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 33.534 -4.560 -17.307 1.00 0.00 H new ATOM 0 HH2 TRP A 85 34.102 -4.054 -19.665 1.00 0.00 H new ATOM 1245 N ALA A 86 36.107 -5.004 -12.647 1.00 0.00 N ATOM 1246 CA ALA A 86 35.102 -5.382 -11.611 1.00 0.00 C ATOM 1247 C ALA A 86 35.732 -6.360 -10.618 1.00 0.00 C ATOM 1248 O ALA A 86 35.049 -7.119 -9.960 1.00 0.00 O ATOM 1249 CB ALA A 86 33.899 -6.046 -12.286 1.00 0.00 C ATOM 0 H ALA A 86 36.177 -4.004 -12.838 1.00 0.00 H new ATOM 0 HA ALA A 86 34.775 -4.488 -11.081 1.00 0.00 H new ATOM 0 HB1 ALA A 86 33.164 -6.322 -11.530 1.00 0.00 H new ATOM 0 HB2 ALA A 86 33.448 -5.349 -12.993 1.00 0.00 H new ATOM 0 HB3 ALA A 86 34.227 -6.940 -12.817 1.00 0.00 H new ATOM 1255 N GLY A 87 37.029 -6.342 -10.505 1.00 0.00 N ATOM 1256 CA GLY A 87 37.712 -7.265 -9.558 1.00 0.00 C ATOM 1257 C GLY A 87 37.086 -8.658 -9.660 1.00 0.00 C ATOM 1258 O GLY A 87 37.531 -9.425 -10.498 1.00 0.00 O ATOM 1259 OXT GLY A 87 36.173 -8.933 -8.900 1.00 0.00 O ATOM 0 H GLY A 87 37.649 -5.725 -11.030 1.00 0.00 H new ATOM 0 HA2 GLY A 87 38.776 -7.316 -9.787 1.00 0.00 H new ATOM 0 HA3 GLY A 87 37.623 -6.889 -8.539 1.00 0.00 H new TER 1263 GLY A 87 HETATM 1264 FE HEC A 88 32.012 -9.959 -27.087 1.00 0.00 FE HETATM 1265 CHA HEC A 88 34.976 -10.702 -28.520 1.00 0.00 C HETATM 1266 CHB HEC A 88 33.267 -7.017 -25.993 1.00 0.00 C HETATM 1267 CHC HEC A 88 28.980 -9.135 -25.869 1.00 0.00 C HETATM 1268 CHD HEC A 88 30.861 -13.037 -27.853 1.00 0.00 C HETATM 1269 NA HEC A 88 33.741 -9.062 -27.218 1.00 0.00 N HETATM 1270 C1A HEC A 88 34.871 -9.497 -27.866 1.00 0.00 C HETATM 1271 C2A HEC A 88 35.955 -8.560 -27.715 1.00 0.00 C HETATM 1272 C3A HEC A 88 35.489 -7.552 -26.953 1.00 0.00 C HETATM 1273 C4A HEC A 88 34.113 -7.857 -26.671 1.00 0.00 C HETATM 1274 CMA HEC A 88 36.265 -6.403 -26.412 1.00 0.00 C HETATM 1275 CAA HEC A 88 37.305 -8.659 -28.325 1.00 0.00 C HETATM 1276 CBA HEC A 88 37.301 -8.135 -29.753 1.00 0.00 C HETATM 1277 CGA HEC A 88 38.557 -8.638 -30.456 1.00 0.00 C HETATM 1278 O1A HEC A 88 39.676 -8.348 -29.953 1.00 0.00 O HETATM 1279 O2A HEC A 88 38.415 -9.317 -31.508 1.00 0.00 O HETATM 1280 NB HEC A 88 31.279 -8.405 -26.162 1.00 0.00 N HETATM 1281 C1B HEC A 88 31.939 -7.271 -25.754 1.00 0.00 C HETATM 1282 C2B HEC A 88 31.048 -6.364 -25.079 1.00 0.00 C HETATM 1283 C3B HEC A 88 29.823 -6.934 -25.112 1.00 0.00 C HETATM 1284 C4B HEC A 88 29.984 -8.203 -25.758 1.00 0.00 C HETATM 1285 CMB HEC A 88 31.426 -5.107 -24.367 1.00 0.00 C HETATM 1286 CAB HEC A 88 28.541 -6.215 -24.976 1.00 0.00 C HETATM 1287 CBB HEC A 88 28.369 -5.231 -26.128 1.00 0.00 C HETATM 1288 NC HEC A 88 30.304 -10.886 -26.881 1.00 0.00 N HETATM 1289 C1C HEC A 88 29.132 -10.392 -26.377 1.00 0.00 C HETATM 1290 C2C HEC A 88 28.090 -11.380 -26.391 1.00 0.00 C HETATM 1291 C3C HEC A 88 28.626 -12.510 -26.902 1.00 0.00 C HETATM 1292 C4C HEC A 88 29.997 -12.179 -27.218 1.00 0.00 C HETATM 1293 CMC HEC A 88 26.687 -11.192 -25.914 1.00 0.00 C HETATM 1294 CAC HEC A 88 28.181 -13.878 -26.539 1.00 0.00 C HETATM 1295 CBC HEC A 88 26.974 -14.300 -27.373 1.00 0.00 C HETATM 1296 ND HEC A 88 32.748 -11.518 -28.006 1.00 0.00 N HETATM 1297 C1D HEC A 88 32.142 -12.729 -28.235 1.00 0.00 C HETATM 1298 C2D HEC A 88 33.004 -13.623 -28.969 1.00 0.00 C HETATM 1299 C3D HEC A 88 34.151 -12.946 -29.196 1.00 0.00 C HETATM 1300 C4D HEC A 88 33.987 -11.650 -28.586 1.00 0.00 C HETATM 1301 CMD HEC A 88 32.681 -15.014 -29.400 1.00 0.00 C HETATM 1302 CAD HEC A 88 35.335 -13.419 -29.967 1.00 0.00 C HETATM 1303 CBD HEC A 88 35.224 -13.067 -31.454 1.00 0.00 C HETATM 1304 CGD HEC A 88 36.506 -12.363 -31.876 1.00 0.00 C HETATM 1305 O1D HEC A 88 37.299 -12.984 -32.633 1.00 0.00 O HETATM 1306 O2D HEC A 88 36.708 -11.197 -31.448 1.00 0.00 O HETATM 0 HMD3 HEC A 88 32.465 -15.625 -28.524 1.00 0.00 H new HETATM 0 HMD2 HEC A 88 31.810 -14.999 -30.056 1.00 0.00 H new HETATM 0 HMD1 HEC A 88 33.531 -15.436 -29.936 1.00 0.00 H new HETATM 0 HMC3 HEC A 88 26.695 -10.926 -24.857 1.00 0.00 H new HETATM 0 HMC2 HEC A 88 26.212 -10.394 -26.485 1.00 0.00 H new HETATM 0 HMC1 HEC A 88 26.129 -12.118 -26.051 1.00 0.00 H new HETATM 0 HMB3 HEC A 88 32.116 -5.341 -23.556 1.00 0.00 H new HETATM 0 HMB2 HEC A 88 31.907 -4.423 -25.066 1.00 0.00 H new HETATM 0 HMB1 HEC A 88 30.531 -4.638 -23.958 1.00 0.00 H new HETATM 0 HMA3 HEC A 88 37.064 -6.774 -25.770 1.00 0.00 H new HETATM 0 HMA2 HEC A 88 36.696 -5.835 -27.236 1.00 0.00 H new HETATM 0 HMA1 HEC A 88 35.604 -5.758 -25.833 1.00 0.00 H new HETATM 0 HBD2 HEC A 88 35.073 -13.969 -32.047 1.00 0.00 H new HETATM 0 HBD1 HEC A 88 34.362 -12.423 -31.628 1.00 0.00 H new HETATM 0 HBC3 HEC A 88 26.151 -13.607 -27.198 1.00 0.00 H new HETATM 0 HBC2 HEC A 88 27.240 -14.288 -28.430 1.00 0.00 H new HETATM 0 HBC1 HEC A 88 26.668 -15.306 -27.087 1.00 0.00 H new HETATM 0 HBB3 HEC A 88 29.187 -4.510 -26.116 1.00 0.00 H new HETATM 0 HBB2 HEC A 88 28.377 -5.773 -27.074 1.00 0.00 H new HETATM 0 HBB1 HEC A 88 27.420 -4.705 -26.019 1.00 0.00 H new HETATM 0 HBA2 HEC A 88 36.410 -8.477 -30.279 1.00 0.00 H new HETATM 0 HBA1 HEC A 88 37.275 -7.045 -29.757 1.00 0.00 H new HETATM 0 HAD2 HEC A 88 36.240 -12.972 -29.554 1.00 0.00 H new HETATM 0 HAD1 HEC A 88 35.433 -14.499 -29.856 1.00 0.00 H new HETATM 0 HAA2 HEC A 88 38.019 -8.092 -27.728 1.00 0.00 H new HETATM 0 HAA1 HEC A 88 37.636 -9.698 -28.316 1.00 0.00 H new HETATM 0 HHD HEC A 88 30.500 -14.042 -28.071 1.00 0.00 H new HETATM 0 HHC HEC A 88 27.986 -8.848 -25.525 1.00 0.00 H new HETATM 0 HHB HEC A 88 33.678 -6.080 -25.617 1.00 0.00 H new HETATM 0 HHA HEC A 88 35.917 -10.921 -29.025 1.00 0.00 H new HETATM 0 H2D HEC A 88 37.062 -11.240 -30.535 1.00 0.00 H new HETATM 0 H2A HEC A 88 37.564 -9.802 -31.472 1.00 0.00 H new