USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=19 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 165:sc= -0.3 USER MOD Set 1.2: A 80 GLN :FLIP amide:sc= -6.45! C(o=-7.5!,f=-6.7!) USER MOD Set 2.1: A 56 ASN :FLIP amide:sc= 0.00157 F(o=-1.8,f=-1.2) USER MOD Set 2.2: A 88 HEC O2D : rot 89:sc= -1.17 USER MOD Set 3.1: A 41 MET CE :methyl 172:sc= -0.68 (180deg=-1.23) USER MOD Set 3.2: A 50 GLN : amide:sc= -12.3! C(o=-13!,f=-14!) USER MOD Set 4.1: A 28 ASN :FLIP amide:sc= -0.329 F(o=-1.6,f=-0.33) USER MOD Set 4.2: A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 8 LYS NZ :NH3+ -110:sc= 0.251 (180deg=0) USER MOD Set 5.2: A 69 GLN : amide:sc= -8.03! C(o=-7.8!,f=-15!) USER MOD Single : A 1 ALA N :NH3+ -162:sc= -0.294 (180deg=-0.822) USER MOD Single : A 5 ASN : amide:sc= -0.826 K(o=-0.83,f=-5.3!) USER MOD Single : A 11 SER OG : rot -60:sc= 0.923 USER MOD Single : A 13 ASN : amide:sc= -18.8! C(o=-19!,f=-24!) USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -15.4! C(o=-15!,f=-16!) USER MOD Single : A 26 MET CE :methyl -148:sc= -5.73! (180deg=-10.9!) 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 :FLIP amide:sc= -2.51! C(o=-4.5!,f=-2.5!) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 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= -0.788 K(o=-0.79,f=-1.9) USER MOD Single : A 53 HIS :FLIP no HE2:sc= -8.11! C(o=-12!,f=-8.1!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl 153:sc= -15.7! (180deg=-18.6!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -5.32! C(o=-5.3!,f=-6.4!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 HEC O2A : rot 137:sc= -0.343 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 34.775 8.930 -18.452 1.00 0.00 N ATOM 2 CA ALA A 1 33.882 10.089 -18.732 1.00 0.00 C ATOM 3 C ALA A 1 32.527 9.582 -19.225 1.00 0.00 C ATOM 4 O ALA A 1 32.368 9.228 -20.376 1.00 0.00 O ATOM 5 CB ALA A 1 34.516 10.973 -19.808 1.00 0.00 C ATOM 0 H1 ALA A 1 35.561 9.236 -17.844 1.00 0.00 H new ATOM 0 H2 ALA A 1 34.235 8.184 -17.969 1.00 0.00 H new ATOM 0 H3 ALA A 1 35.154 8.559 -19.347 1.00 0.00 H new ATOM 0 HA ALA A 1 33.743 10.669 -17.819 1.00 0.00 H new ATOM 0 HB1 ALA A 1 33.863 11.821 -20.013 1.00 0.00 H new ATOM 0 HB2 ALA A 1 35.483 11.336 -19.458 1.00 0.00 H new ATOM 0 HB3 ALA A 1 34.655 10.393 -20.720 1.00 0.00 H new ATOM 13 N ASP A 2 31.547 9.545 -18.364 1.00 0.00 N ATOM 14 CA ASP A 2 30.208 9.061 -18.790 1.00 0.00 C ATOM 15 C ASP A 2 30.260 7.551 -19.013 1.00 0.00 C ATOM 16 O ASP A 2 29.310 6.949 -19.474 1.00 0.00 O ATOM 17 CB ASP A 2 29.809 9.760 -20.089 1.00 0.00 C ATOM 18 CG ASP A 2 30.294 11.211 -20.053 1.00 0.00 C ATOM 19 OD1 ASP A 2 30.390 11.755 -18.965 1.00 0.00 O ATOM 20 OD2 ASP A 2 30.559 11.754 -21.113 1.00 0.00 O ATOM 0 H ASP A 2 31.617 9.829 -17.387 1.00 0.00 H new ATOM 0 HA ASP A 2 29.473 9.285 -18.017 1.00 0.00 H new ATOM 0 HB2 ASP A 2 30.243 9.241 -20.943 1.00 0.00 H new ATOM 0 HB3 ASP A 2 28.727 9.729 -20.214 1.00 0.00 H new ATOM 25 N LEU A 3 31.362 6.929 -18.689 1.00 0.00 N ATOM 26 CA LEU A 3 31.461 5.457 -18.884 1.00 0.00 C ATOM 27 C LEU A 3 30.678 4.747 -17.781 1.00 0.00 C ATOM 28 O LEU A 3 30.581 3.537 -17.759 1.00 0.00 O ATOM 29 CB LEU A 3 32.929 5.019 -18.843 1.00 0.00 C ATOM 30 CG LEU A 3 33.739 5.768 -19.912 1.00 0.00 C ATOM 31 CD1 LEU A 3 34.951 4.924 -20.304 1.00 0.00 C ATOM 32 CD2 LEU A 3 32.881 6.020 -21.159 1.00 0.00 C ATOM 0 H LEU A 3 32.193 7.375 -18.300 1.00 0.00 H new ATOM 0 HA LEU A 3 31.043 5.194 -19.855 1.00 0.00 H new ATOM 0 HB2 LEU A 3 33.347 5.216 -17.856 1.00 0.00 H new ATOM 0 HB3 LEU A 3 33.000 3.944 -19.010 1.00 0.00 H new ATOM 0 HG LEU A 3 34.060 6.726 -19.504 1.00 0.00 H new ATOM 0 HD11 LEU A 3 35.531 5.450 -21.063 1.00 0.00 H new ATOM 0 HD12 LEU A 3 35.574 4.752 -19.426 1.00 0.00 H new ATOM 0 HD13 LEU A 3 34.614 3.967 -20.703 1.00 0.00 H new ATOM 0 HD21 LEU A 3 33.471 6.552 -21.905 1.00 0.00 H new ATOM 0 HD22 LEU A 3 32.549 5.067 -21.571 1.00 0.00 H new ATOM 0 HD23 LEU A 3 32.013 6.621 -20.888 1.00 0.00 H new ATOM 44 N ALA A 4 30.089 5.490 -16.882 1.00 0.00 N ATOM 45 CA ALA A 4 29.287 4.849 -15.816 1.00 0.00 C ATOM 46 C ALA A 4 28.093 4.211 -16.504 1.00 0.00 C ATOM 47 O ALA A 4 27.569 3.198 -16.083 1.00 0.00 O ATOM 48 CB ALA A 4 28.818 5.902 -14.809 1.00 0.00 C ATOM 0 H ALA A 4 30.132 6.508 -16.845 1.00 0.00 H new ATOM 0 HA ALA A 4 29.870 4.107 -15.270 1.00 0.00 H new ATOM 0 HB1 ALA A 4 28.229 5.422 -14.028 1.00 0.00 H new ATOM 0 HB2 ALA A 4 29.684 6.389 -14.362 1.00 0.00 H new ATOM 0 HB3 ALA A 4 28.206 6.646 -15.319 1.00 0.00 H new ATOM 54 N ASN A 5 27.692 4.799 -17.594 1.00 0.00 N ATOM 55 CA ASN A 5 26.564 4.249 -18.380 1.00 0.00 C ATOM 56 C ASN A 5 27.041 2.953 -19.029 1.00 0.00 C ATOM 57 O ASN A 5 26.275 2.050 -19.296 1.00 0.00 O ATOM 58 CB ASN A 5 26.185 5.262 -19.457 1.00 0.00 C ATOM 59 CG ASN A 5 24.730 5.693 -19.266 1.00 0.00 C ATOM 60 OD1 ASN A 5 24.050 5.208 -18.383 1.00 0.00 O ATOM 61 ND2 ASN A 5 24.218 6.588 -20.065 1.00 0.00 N ATOM 0 H ASN A 5 28.106 5.649 -17.976 1.00 0.00 H new ATOM 0 HA ASN A 5 25.696 4.054 -17.750 1.00 0.00 H new ATOM 0 HB2 ASN A 5 26.842 6.130 -19.402 1.00 0.00 H new ATOM 0 HB3 ASN A 5 26.318 4.824 -20.446 1.00 0.00 H new ATOM 0 HD21 ASN A 5 23.248 6.880 -19.948 1.00 0.00 H new ATOM 0 HD22 ASN A 5 24.788 6.996 -20.806 1.00 0.00 H new ATOM 68 N GLY A 6 28.322 2.859 -19.269 1.00 0.00 N ATOM 69 CA GLY A 6 28.884 1.626 -19.880 1.00 0.00 C ATOM 70 C GLY A 6 28.576 0.443 -18.963 1.00 0.00 C ATOM 71 O GLY A 6 27.836 -0.444 -19.313 1.00 0.00 O ATOM 0 H GLY A 6 29.004 3.589 -19.066 1.00 0.00 H new ATOM 0 HA2 GLY A 6 28.452 1.462 -20.867 1.00 0.00 H new ATOM 0 HA3 GLY A 6 29.961 1.728 -20.017 1.00 0.00 H new ATOM 75 N ALA A 7 29.134 0.432 -17.786 1.00 0.00 N ATOM 76 CA ALA A 7 28.877 -0.691 -16.844 1.00 0.00 C ATOM 77 C ALA A 7 27.397 -1.039 -16.863 1.00 0.00 C ATOM 78 O ALA A 7 27.015 -2.180 -16.701 1.00 0.00 O ATOM 79 CB ALA A 7 29.278 -0.280 -15.428 1.00 0.00 C ATOM 0 H ALA A 7 29.760 1.156 -17.434 1.00 0.00 H new ATOM 0 HA ALA A 7 29.464 -1.557 -17.150 1.00 0.00 H new ATOM 0 HB1 ALA A 7 29.088 -1.105 -14.742 1.00 0.00 H new ATOM 0 HB2 ALA A 7 30.338 -0.029 -15.409 1.00 0.00 H new ATOM 0 HB3 ALA A 7 28.694 0.588 -15.122 1.00 0.00 H new ATOM 85 N LYS A 8 26.560 -0.066 -17.059 1.00 0.00 N ATOM 86 CA LYS A 8 25.106 -0.351 -17.090 1.00 0.00 C ATOM 87 C LYS A 8 24.811 -1.235 -18.300 1.00 0.00 C ATOM 88 O LYS A 8 24.183 -2.269 -18.189 1.00 0.00 O ATOM 89 CB LYS A 8 24.317 0.956 -17.190 1.00 0.00 C ATOM 90 CG LYS A 8 22.885 0.661 -17.654 1.00 0.00 C ATOM 91 CD LYS A 8 22.750 0.991 -19.143 1.00 0.00 C ATOM 92 CE LYS A 8 23.213 2.424 -19.382 1.00 0.00 C ATOM 93 NZ LYS A 8 22.084 3.226 -19.937 1.00 0.00 N ATOM 0 H LYS A 8 26.819 0.911 -17.199 1.00 0.00 H new ATOM 0 HA LYS A 8 24.808 -0.863 -16.175 1.00 0.00 H new ATOM 0 HB2 LYS A 8 24.300 1.457 -16.222 1.00 0.00 H new ATOM 0 HB3 LYS A 8 24.804 1.634 -17.891 1.00 0.00 H new ATOM 0 HG2 LYS A 8 22.644 -0.388 -17.480 1.00 0.00 H new ATOM 0 HG3 LYS A 8 22.175 1.251 -17.074 1.00 0.00 H new ATOM 0 HD2 LYS A 8 23.347 0.299 -19.737 1.00 0.00 H new ATOM 0 HD3 LYS A 8 21.714 0.873 -19.462 1.00 0.00 H new ATOM 0 HE2 LYS A 8 23.562 2.865 -18.448 1.00 0.00 H new ATOM 0 HE3 LYS A 8 24.055 2.435 -20.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 22.278 3.457 -20.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 21.204 2.676 -19.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 21.982 4.105 -19.391 1.00 0.00 H new ATOM 107 N VAL A 9 25.273 -0.844 -19.456 1.00 0.00 N ATOM 108 CA VAL A 9 25.030 -1.674 -20.665 1.00 0.00 C ATOM 109 C VAL A 9 25.809 -2.979 -20.527 1.00 0.00 C ATOM 110 O VAL A 9 25.243 -4.047 -20.541 1.00 0.00 O ATOM 111 CB VAL A 9 25.490 -0.917 -21.919 1.00 0.00 C ATOM 112 CG1 VAL A 9 25.815 -1.902 -23.052 1.00 0.00 C ATOM 113 CG2 VAL A 9 24.362 0.012 -22.380 1.00 0.00 C ATOM 0 H VAL A 9 25.806 0.011 -19.613 1.00 0.00 H new ATOM 0 HA VAL A 9 23.966 -1.889 -20.760 1.00 0.00 H new ATOM 0 HB VAL A 9 26.385 -0.344 -21.678 1.00 0.00 H new ATOM 0 HG11 VAL A 9 26.139 -1.349 -23.933 1.00 0.00 H new ATOM 0 HG12 VAL A 9 26.611 -2.574 -22.732 1.00 0.00 H new ATOM 0 HG13 VAL A 9 24.925 -2.483 -23.295 1.00 0.00 H new ATOM 0 HG21 VAL A 9 24.679 0.555 -23.271 1.00 0.00 H new ATOM 0 HG22 VAL A 9 23.476 -0.579 -22.611 1.00 0.00 H new ATOM 0 HG23 VAL A 9 24.128 0.722 -21.587 1.00 0.00 H new ATOM 123 N PHE A 10 27.105 -2.903 -20.405 1.00 0.00 N ATOM 124 CA PHE A 10 27.909 -4.142 -20.279 1.00 0.00 C ATOM 125 C PHE A 10 27.326 -5.047 -19.189 1.00 0.00 C ATOM 126 O PHE A 10 27.478 -6.252 -19.221 1.00 0.00 O ATOM 127 CB PHE A 10 29.353 -3.777 -19.934 1.00 0.00 C ATOM 128 CG PHE A 10 30.142 -5.046 -19.774 1.00 0.00 C ATOM 129 CD1 PHE A 10 29.929 -5.832 -18.647 1.00 0.00 C ATOM 130 CD2 PHE A 10 31.066 -5.453 -20.748 1.00 0.00 C ATOM 131 CE1 PHE A 10 30.627 -7.018 -18.481 1.00 0.00 C ATOM 132 CE2 PHE A 10 31.768 -6.649 -20.581 1.00 0.00 C ATOM 133 CZ PHE A 10 31.550 -7.434 -19.445 1.00 0.00 C ATOM 0 H PHE A 10 27.639 -2.034 -20.387 1.00 0.00 H new ATOM 0 HA PHE A 10 27.885 -4.680 -21.227 1.00 0.00 H new ATOM 0 HB2 PHE A 10 29.786 -3.159 -20.721 1.00 0.00 H new ATOM 0 HB3 PHE A 10 29.386 -3.192 -19.015 1.00 0.00 H new ATOM 0 HD1 PHE A 10 29.217 -5.517 -17.898 1.00 0.00 H new ATOM 0 HD2 PHE A 10 31.234 -4.844 -21.624 1.00 0.00 H new ATOM 0 HE1 PHE A 10 30.457 -7.623 -17.603 1.00 0.00 H new ATOM 0 HE2 PHE A 10 32.479 -6.967 -21.329 1.00 0.00 H new ATOM 0 HZ PHE A 10 32.093 -8.358 -19.313 1.00 0.00 H new ATOM 143 N SER A 11 26.660 -4.478 -18.232 1.00 0.00 N ATOM 144 CA SER A 11 26.066 -5.297 -17.133 1.00 0.00 C ATOM 145 C SER A 11 24.687 -5.807 -17.556 1.00 0.00 C ATOM 146 O SER A 11 23.836 -6.085 -16.735 1.00 0.00 O ATOM 147 CB SER A 11 25.923 -4.441 -15.873 1.00 0.00 C ATOM 148 OG SER A 11 25.091 -5.111 -14.938 1.00 0.00 O ATOM 0 H SER A 11 26.497 -3.474 -18.158 1.00 0.00 H new ATOM 0 HA SER A 11 26.720 -6.145 -16.927 1.00 0.00 H new ATOM 0 HB2 SER A 11 26.903 -4.253 -15.435 1.00 0.00 H new ATOM 0 HB3 SER A 11 25.496 -3.471 -16.126 1.00 0.00 H new ATOM 0 HG SER A 11 24.205 -5.254 -15.332 1.00 0.00 H new ATOM 154 N GLY A 12 24.463 -5.931 -18.832 1.00 0.00 N ATOM 155 CA GLY A 12 23.148 -6.420 -19.316 1.00 0.00 C ATOM 156 C GLY A 12 23.235 -6.875 -20.782 1.00 0.00 C ATOM 157 O GLY A 12 22.228 -7.085 -21.427 1.00 0.00 O ATOM 0 H GLY A 12 25.139 -5.713 -19.564 1.00 0.00 H new ATOM 0 HA2 GLY A 12 22.813 -7.249 -18.693 1.00 0.00 H new ATOM 0 HA3 GLY A 12 22.404 -5.629 -19.221 1.00 0.00 H new ATOM 161 N ASN A 13 24.418 -7.038 -21.317 1.00 0.00 N ATOM 162 CA ASN A 13 24.535 -7.486 -22.736 1.00 0.00 C ATOM 163 C ASN A 13 25.864 -8.213 -22.930 1.00 0.00 C ATOM 164 O ASN A 13 25.922 -9.289 -23.489 1.00 0.00 O ATOM 165 CB ASN A 13 24.487 -6.278 -23.680 1.00 0.00 C ATOM 166 CG ASN A 13 24.793 -4.991 -22.908 1.00 0.00 C ATOM 167 OD1 ASN A 13 25.939 -4.681 -22.653 1.00 0.00 O ATOM 168 ND2 ASN A 13 23.805 -4.219 -22.536 1.00 0.00 N ATOM 0 H ASN A 13 25.303 -6.881 -20.835 1.00 0.00 H new ATOM 0 HA ASN A 13 23.704 -8.154 -22.963 1.00 0.00 H new ATOM 0 HB2 ASN A 13 25.210 -6.408 -24.486 1.00 0.00 H new ATOM 0 HB3 ASN A 13 23.503 -6.208 -24.143 1.00 0.00 H new ATOM 0 HD21 ASN A 13 23.996 -3.354 -22.030 1.00 0.00 H new ATOM 0 HD22 ASN A 13 22.843 -4.482 -22.752 1.00 0.00 H new ATOM 175 N CYS A 14 26.931 -7.624 -22.476 1.00 0.00 N ATOM 176 CA CYS A 14 28.265 -8.263 -22.634 1.00 0.00 C ATOM 177 C CYS A 14 28.467 -9.300 -21.527 1.00 0.00 C ATOM 178 O CYS A 14 29.179 -10.270 -21.689 1.00 0.00 O ATOM 179 CB CYS A 14 29.354 -7.194 -22.518 1.00 0.00 C ATOM 180 SG CYS A 14 28.763 -5.620 -23.201 1.00 0.00 S ATOM 0 H CYS A 14 26.937 -6.722 -21.999 1.00 0.00 H new ATOM 0 HA CYS A 14 28.322 -8.748 -23.609 1.00 0.00 H new ATOM 0 HB2 CYS A 14 29.635 -7.063 -21.473 1.00 0.00 H new ATOM 0 HB3 CYS A 14 30.249 -7.517 -23.050 1.00 0.00 H new ATOM 185 N ALA A 15 27.852 -9.088 -20.397 1.00 0.00 N ATOM 186 CA ALA A 15 28.006 -10.041 -19.262 1.00 0.00 C ATOM 187 C ALA A 15 27.920 -11.490 -19.759 1.00 0.00 C ATOM 188 O ALA A 15 28.658 -12.351 -19.320 1.00 0.00 O ATOM 189 CB ALA A 15 26.895 -9.784 -18.244 1.00 0.00 C ATOM 0 H ALA A 15 27.245 -8.290 -20.210 1.00 0.00 H new ATOM 0 HA ALA A 15 28.982 -9.890 -18.800 1.00 0.00 H new ATOM 0 HB1 ALA A 15 26.999 -10.477 -17.409 1.00 0.00 H new ATOM 0 HB2 ALA A 15 26.967 -8.760 -17.877 1.00 0.00 H new ATOM 0 HB3 ALA A 15 25.925 -9.931 -18.719 1.00 0.00 H new ATOM 195 N ALA A 16 27.017 -11.770 -20.659 1.00 0.00 N ATOM 196 CA ALA A 16 26.867 -13.168 -21.168 1.00 0.00 C ATOM 197 C ALA A 16 28.198 -13.709 -21.707 1.00 0.00 C ATOM 198 O ALA A 16 28.611 -14.801 -21.366 1.00 0.00 O ATOM 199 CB ALA A 16 25.827 -13.187 -22.288 1.00 0.00 C ATOM 0 H ALA A 16 26.374 -11.091 -21.066 1.00 0.00 H new ATOM 0 HA ALA A 16 26.547 -13.802 -20.341 1.00 0.00 H new ATOM 0 HB1 ALA A 16 25.714 -14.204 -22.662 1.00 0.00 H new ATOM 0 HB2 ALA A 16 24.871 -12.834 -21.902 1.00 0.00 H new ATOM 0 HB3 ALA A 16 26.154 -12.536 -23.099 1.00 0.00 H new ATOM 205 N CYS A 17 28.864 -12.978 -22.560 1.00 0.00 N ATOM 206 CA CYS A 17 30.151 -13.483 -23.125 1.00 0.00 C ATOM 207 C CYS A 17 31.317 -12.690 -22.576 1.00 0.00 C ATOM 208 O CYS A 17 32.361 -12.603 -23.191 1.00 0.00 O ATOM 209 CB CYS A 17 30.140 -13.310 -24.629 1.00 0.00 C ATOM 210 SG CYS A 17 29.297 -14.729 -25.402 1.00 0.00 S ATOM 0 H CYS A 17 28.575 -12.057 -22.890 1.00 0.00 H new ATOM 0 HA CYS A 17 30.257 -14.533 -22.854 1.00 0.00 H new ATOM 0 HB2 CYS A 17 29.631 -12.383 -24.895 1.00 0.00 H new ATOM 0 HB3 CYS A 17 31.161 -13.232 -25.004 1.00 0.00 H new ATOM 215 N HIS A 18 31.159 -12.092 -21.443 1.00 0.00 N ATOM 216 CA HIS A 18 32.274 -11.292 -20.902 1.00 0.00 C ATOM 217 C HIS A 18 32.132 -11.182 -19.384 1.00 0.00 C ATOM 218 O HIS A 18 32.881 -11.777 -18.640 1.00 0.00 O ATOM 219 CB HIS A 18 32.230 -9.914 -21.566 1.00 0.00 C ATOM 220 CG HIS A 18 32.567 -10.053 -23.013 1.00 0.00 C ATOM 221 ND1 HIS A 18 33.873 -10.116 -23.426 1.00 0.00 N ATOM 222 CD2 HIS A 18 31.804 -10.151 -24.148 1.00 0.00 C ATOM 223 CE1 HIS A 18 33.875 -10.250 -24.756 1.00 0.00 C ATOM 224 NE2 HIS A 18 32.639 -10.282 -25.254 1.00 0.00 N ATOM 0 H HIS A 18 30.315 -12.121 -20.871 1.00 0.00 H new ATOM 0 HA HIS A 18 33.234 -11.763 -21.113 1.00 0.00 H new ATOM 0 HB2 HIS A 18 31.239 -9.474 -21.452 1.00 0.00 H new ATOM 0 HB3 HIS A 18 32.936 -9.240 -21.080 1.00 0.00 H new ATOM 0 HD1 HIS A 18 34.696 -10.069 -22.825 1.00 0.00 H new ATOM 0 HD2 HIS A 18 30.725 -10.130 -24.179 1.00 0.00 H new ATOM 0 HE1 HIS A 18 34.771 -10.324 -25.355 1.00 0.00 H new ATOM 232 N MET A 19 31.160 -10.447 -18.932 1.00 0.00 N ATOM 233 CA MET A 19 30.925 -10.298 -17.460 1.00 0.00 C ATOM 234 C MET A 19 32.253 -10.203 -16.700 1.00 0.00 C ATOM 235 O MET A 19 32.910 -11.192 -16.443 1.00 0.00 O ATOM 236 CB MET A 19 30.136 -11.505 -16.945 1.00 0.00 C ATOM 237 CG MET A 19 30.764 -12.796 -17.475 1.00 0.00 C ATOM 238 SD MET A 19 29.863 -14.218 -16.813 1.00 0.00 S ATOM 239 CE MET A 19 30.932 -15.501 -17.506 1.00 0.00 C ATOM 0 H MET A 19 30.506 -9.933 -19.522 1.00 0.00 H new ATOM 0 HA MET A 19 30.361 -9.381 -17.293 1.00 0.00 H new ATOM 0 HB2 MET A 19 30.133 -11.511 -15.855 1.00 0.00 H new ATOM 0 HB3 MET A 19 29.097 -11.436 -17.266 1.00 0.00 H new ATOM 0 HG2 MET A 19 30.734 -12.808 -18.565 1.00 0.00 H new ATOM 0 HG3 MET A 19 31.813 -12.849 -17.185 1.00 0.00 H new ATOM 0 HE1 MET A 19 30.556 -16.483 -17.218 1.00 0.00 H new ATOM 0 HE2 MET A 19 30.940 -15.420 -18.593 1.00 0.00 H new ATOM 0 HE3 MET A 19 31.946 -15.375 -17.126 1.00 0.00 H new ATOM 249 N GLY A 20 32.649 -9.018 -16.324 1.00 0.00 N ATOM 250 CA GLY A 20 33.927 -8.865 -15.575 1.00 0.00 C ATOM 251 C GLY A 20 35.088 -8.905 -16.565 1.00 0.00 C ATOM 252 O GLY A 20 36.051 -9.623 -16.379 1.00 0.00 O ATOM 0 H GLY A 20 32.143 -8.150 -16.503 1.00 0.00 H new ATOM 0 HA2 GLY A 20 33.932 -7.923 -15.026 1.00 0.00 H new ATOM 0 HA3 GLY A 20 34.031 -9.663 -14.840 1.00 0.00 H new ATOM 256 N GLY A 21 34.995 -8.134 -17.613 1.00 0.00 N ATOM 257 CA GLY A 21 36.071 -8.101 -18.635 1.00 0.00 C ATOM 258 C GLY A 21 36.647 -9.505 -18.844 1.00 0.00 C ATOM 259 O GLY A 21 37.830 -9.672 -19.063 1.00 0.00 O ATOM 0 H GLY A 21 34.206 -7.517 -17.804 1.00 0.00 H new ATOM 0 HA2 GLY A 21 35.677 -7.718 -19.576 1.00 0.00 H new ATOM 0 HA3 GLY A 21 36.861 -7.419 -18.320 1.00 0.00 H new ATOM 263 N GLY A 22 35.824 -10.515 -18.778 1.00 0.00 N ATOM 264 CA GLY A 22 36.335 -11.901 -18.973 1.00 0.00 C ATOM 265 C GLY A 22 35.550 -12.583 -20.093 1.00 0.00 C ATOM 266 O GLY A 22 34.487 -13.129 -19.876 1.00 0.00 O ATOM 0 H GLY A 22 34.823 -10.441 -18.598 1.00 0.00 H new ATOM 0 HA2 GLY A 22 37.396 -11.877 -19.221 1.00 0.00 H new ATOM 0 HA3 GLY A 22 36.237 -12.469 -18.048 1.00 0.00 H new ATOM 270 N ASN A 23 36.065 -12.557 -21.289 1.00 0.00 N ATOM 271 CA ASN A 23 35.351 -13.204 -22.423 1.00 0.00 C ATOM 272 C ASN A 23 35.124 -14.686 -22.104 1.00 0.00 C ATOM 273 O ASN A 23 35.455 -15.155 -21.033 1.00 0.00 O ATOM 274 CB ASN A 23 36.197 -13.080 -23.690 1.00 0.00 C ATOM 275 CG ASN A 23 35.300 -12.671 -24.860 1.00 0.00 C ATOM 276 OD1 ASN A 23 34.094 -12.809 -24.793 1.00 0.00 O ATOM 277 ND2 ASN A 23 35.840 -12.172 -25.938 1.00 0.00 N ATOM 0 H ASN A 23 36.952 -12.115 -21.531 1.00 0.00 H new ATOM 0 HA ASN A 23 34.389 -12.714 -22.576 1.00 0.00 H new ATOM 0 HB2 ASN A 23 36.984 -12.340 -23.544 1.00 0.00 H new ATOM 0 HB3 ASN A 23 36.688 -14.029 -23.908 1.00 0.00 H new ATOM 0 HD21 ASN A 23 35.250 -11.898 -26.724 1.00 0.00 H new ATOM 0 HD22 ASN A 23 36.852 -12.056 -25.995 1.00 0.00 H new ATOM 284 N VAL A 24 34.562 -15.425 -23.022 1.00 0.00 N ATOM 285 CA VAL A 24 34.316 -16.874 -22.762 1.00 0.00 C ATOM 286 C VAL A 24 34.207 -17.626 -24.087 1.00 0.00 C ATOM 287 O VAL A 24 35.133 -18.286 -24.514 1.00 0.00 O ATOM 288 CB VAL A 24 33.016 -17.051 -21.965 1.00 0.00 C ATOM 289 CG1 VAL A 24 33.344 -17.152 -20.474 1.00 0.00 C ATOM 290 CG2 VAL A 24 32.089 -15.856 -22.203 1.00 0.00 C ATOM 0 H VAL A 24 34.263 -15.090 -23.938 1.00 0.00 H new ATOM 0 HA VAL A 24 35.149 -17.275 -22.184 1.00 0.00 H new ATOM 0 HB VAL A 24 32.516 -17.962 -22.294 1.00 0.00 H new ATOM 0 HG11 VAL A 24 32.422 -17.278 -19.906 1.00 0.00 H new ATOM 0 HG12 VAL A 24 33.996 -18.009 -20.302 1.00 0.00 H new ATOM 0 HG13 VAL A 24 33.848 -16.242 -20.150 1.00 0.00 H new ATOM 0 HG21 VAL A 24 31.169 -15.990 -21.634 1.00 0.00 H new ATOM 0 HG22 VAL A 24 32.585 -14.941 -21.880 1.00 0.00 H new ATOM 0 HG23 VAL A 24 31.852 -15.785 -23.265 1.00 0.00 H new ATOM 300 N VAL A 25 33.080 -17.541 -24.733 1.00 0.00 N ATOM 301 CA VAL A 25 32.902 -18.257 -26.027 1.00 0.00 C ATOM 302 C VAL A 25 34.172 -18.126 -26.880 1.00 0.00 C ATOM 303 O VAL A 25 34.585 -19.062 -27.535 1.00 0.00 O ATOM 304 CB VAL A 25 31.701 -17.662 -26.771 1.00 0.00 C ATOM 305 CG1 VAL A 25 31.721 -16.134 -26.653 1.00 0.00 C ATOM 306 CG2 VAL A 25 31.768 -18.059 -28.245 1.00 0.00 C ATOM 0 H VAL A 25 32.271 -17.005 -24.420 1.00 0.00 H new ATOM 0 HA VAL A 25 32.721 -19.315 -25.836 1.00 0.00 H new ATOM 0 HB VAL A 25 30.780 -18.044 -26.330 1.00 0.00 H new ATOM 0 HG11 VAL A 25 30.865 -15.717 -27.184 1.00 0.00 H new ATOM 0 HG12 VAL A 25 31.670 -15.850 -25.602 1.00 0.00 H new ATOM 0 HG13 VAL A 25 32.642 -15.747 -27.089 1.00 0.00 H new ATOM 0 HG21 VAL A 25 30.914 -17.636 -28.775 1.00 0.00 H new ATOM 0 HG22 VAL A 25 32.691 -17.679 -28.683 1.00 0.00 H new ATOM 0 HG23 VAL A 25 31.746 -19.145 -28.331 1.00 0.00 H new ATOM 316 N MET A 26 34.789 -16.974 -26.888 1.00 0.00 N ATOM 317 CA MET A 26 36.026 -16.797 -27.708 1.00 0.00 C ATOM 318 C MET A 26 37.047 -17.880 -27.345 1.00 0.00 C ATOM 319 O MET A 26 36.731 -18.848 -26.681 1.00 0.00 O ATOM 320 CB MET A 26 36.631 -15.410 -27.450 1.00 0.00 C ATOM 321 CG MET A 26 36.424 -14.992 -25.989 1.00 0.00 C ATOM 322 SD MET A 26 36.993 -16.301 -24.874 1.00 0.00 S ATOM 323 CE MET A 26 38.621 -15.598 -24.507 1.00 0.00 C ATOM 0 H MET A 26 34.492 -16.150 -26.365 1.00 0.00 H new ATOM 0 HA MET A 26 35.768 -16.884 -28.764 1.00 0.00 H new ATOM 0 HB2 MET A 26 37.696 -15.423 -27.682 1.00 0.00 H new ATOM 0 HB3 MET A 26 36.169 -14.677 -28.112 1.00 0.00 H new ATOM 0 HG2 MET A 26 36.969 -14.070 -25.787 1.00 0.00 H new ATOM 0 HG3 MET A 26 35.369 -14.785 -25.809 1.00 0.00 H new ATOM 0 HE1 MET A 26 39.336 -16.404 -24.339 1.00 0.00 H new ATOM 0 HE2 MET A 26 38.952 -14.989 -25.348 1.00 0.00 H new ATOM 0 HE3 MET A 26 38.556 -14.978 -23.613 1.00 0.00 H new ATOM 333 N ALA A 27 38.274 -17.726 -27.770 1.00 0.00 N ATOM 334 CA ALA A 27 39.306 -18.747 -27.442 1.00 0.00 C ATOM 335 C ALA A 27 40.514 -18.075 -26.785 1.00 0.00 C ATOM 336 O ALA A 27 41.492 -18.722 -26.468 1.00 0.00 O ATOM 337 CB ALA A 27 39.753 -19.451 -28.725 1.00 0.00 C ATOM 0 H ALA A 27 38.603 -16.939 -28.329 1.00 0.00 H new ATOM 0 HA ALA A 27 38.881 -19.476 -26.752 1.00 0.00 H new ATOM 0 HB1 ALA A 27 40.509 -20.199 -28.485 1.00 0.00 H new ATOM 0 HB2 ALA A 27 38.896 -19.938 -29.191 1.00 0.00 H new ATOM 0 HB3 ALA A 27 40.173 -18.719 -29.414 1.00 0.00 H new ATOM 343 N ASN A 28 40.460 -16.784 -26.573 1.00 0.00 N ATOM 344 CA ASN A 28 41.614 -16.094 -25.935 1.00 0.00 C ATOM 345 C ASN A 28 41.335 -14.591 -25.815 1.00 0.00 C ATOM 346 O ASN A 28 41.802 -13.936 -24.905 1.00 0.00 O ATOM 347 CB ASN A 28 42.867 -16.306 -26.791 1.00 0.00 C ATOM 348 CG ASN A 28 42.775 -15.437 -28.048 1.00 0.00 C ATOM 349 OD1 ASN A 28 41.784 -15.615 -28.878 1.00 0.00 O flip ATOM 350 ND2 ASN A 28 43.613 -14.586 -28.276 1.00 0.00 N flip ATOM 0 H ASN A 28 39.671 -16.184 -26.813 1.00 0.00 H new ATOM 0 HA ASN A 28 41.767 -16.509 -24.939 1.00 0.00 H new ATOM 0 HB2 ASN A 28 43.759 -16.047 -26.221 1.00 0.00 H new ATOM 0 HB3 ASN A 28 42.959 -17.356 -27.067 1.00 0.00 H new ATOM 0 HD21 ASN A 28 44.388 -14.447 -27.627 1.00 0.00 H new ATOM 0 HD22 ASN A 28 43.541 -14.012 -29.116 1.00 0.00 H new ATOM 357 N LYS A 29 40.589 -14.038 -26.730 1.00 0.00 N ATOM 358 CA LYS A 29 40.295 -12.578 -26.676 1.00 0.00 C ATOM 359 C LYS A 29 39.603 -12.231 -25.356 1.00 0.00 C ATOM 360 O LYS A 29 38.567 -12.773 -25.025 1.00 0.00 O ATOM 361 CB LYS A 29 39.384 -12.204 -27.847 1.00 0.00 C ATOM 362 CG LYS A 29 40.134 -12.410 -29.164 1.00 0.00 C ATOM 363 CD LYS A 29 39.281 -13.257 -30.110 1.00 0.00 C ATOM 364 CE LYS A 29 39.858 -13.181 -31.525 1.00 0.00 C ATOM 365 NZ LYS A 29 40.146 -14.556 -32.021 1.00 0.00 N ATOM 0 H LYS A 29 40.169 -14.535 -27.515 1.00 0.00 H new ATOM 0 HA LYS A 29 41.229 -12.020 -26.743 1.00 0.00 H new ATOM 0 HB2 LYS A 29 38.483 -12.817 -27.830 1.00 0.00 H new ATOM 0 HB3 LYS A 29 39.065 -11.166 -27.756 1.00 0.00 H new ATOM 0 HG2 LYS A 29 40.357 -11.447 -29.622 1.00 0.00 H new ATOM 0 HG3 LYS A 29 41.088 -12.903 -28.978 1.00 0.00 H new ATOM 0 HD2 LYS A 29 39.261 -14.292 -29.769 1.00 0.00 H new ATOM 0 HD3 LYS A 29 38.251 -12.900 -30.106 1.00 0.00 H new ATOM 0 HE2 LYS A 29 39.152 -12.684 -32.190 1.00 0.00 H new ATOM 0 HE3 LYS A 29 40.770 -12.585 -31.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 40.538 -14.503 -32.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 40.835 -15.015 -31.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 39.267 -15.111 -32.036 1.00 0.00 H new ATOM 379 N THR A 30 40.170 -11.331 -24.596 1.00 0.00 N ATOM 380 CA THR A 30 39.551 -10.949 -23.298 1.00 0.00 C ATOM 381 C THR A 30 39.315 -9.443 -23.268 1.00 0.00 C ATOM 382 O THR A 30 39.656 -8.731 -24.186 1.00 0.00 O ATOM 383 CB THR A 30 40.492 -11.352 -22.162 1.00 0.00 C ATOM 384 OG1 THR A 30 40.995 -12.658 -22.409 1.00 0.00 O ATOM 385 CG2 THR A 30 39.737 -11.339 -20.832 1.00 0.00 C ATOM 0 H THR A 30 41.038 -10.844 -24.821 1.00 0.00 H new ATOM 0 HA THR A 30 38.595 -11.459 -23.178 1.00 0.00 H new ATOM 0 HB THR A 30 41.319 -10.644 -22.110 1.00 0.00 H new ATOM 0 HG1 THR A 30 41.600 -12.918 -21.683 1.00 0.00 H new ATOM 0 HG21 THR A 30 40.413 -11.627 -20.027 1.00 0.00 H new ATOM 0 HG22 THR A 30 39.352 -10.337 -20.642 1.00 0.00 H new ATOM 0 HG23 THR A 30 38.907 -12.044 -20.878 1.00 0.00 H new ATOM 393 N LEU A 31 38.702 -8.969 -22.224 1.00 0.00 N ATOM 394 CA LEU A 31 38.392 -7.520 -22.117 1.00 0.00 C ATOM 395 C LEU A 31 39.411 -6.804 -21.243 1.00 0.00 C ATOM 396 O LEU A 31 39.423 -5.592 -21.167 1.00 0.00 O ATOM 397 CB LEU A 31 37.022 -7.397 -21.476 1.00 0.00 C ATOM 398 CG LEU A 31 35.935 -7.449 -22.560 1.00 0.00 C ATOM 399 CD1 LEU A 31 36.316 -8.423 -23.681 1.00 0.00 C ATOM 400 CD2 LEU A 31 34.634 -7.914 -21.944 1.00 0.00 C ATOM 0 H LEU A 31 38.398 -9.532 -21.429 1.00 0.00 H new ATOM 0 HA LEU A 31 38.418 -7.066 -23.108 1.00 0.00 H new ATOM 0 HB2 LEU A 31 36.872 -8.204 -20.759 1.00 0.00 H new ATOM 0 HB3 LEU A 31 36.952 -6.461 -20.922 1.00 0.00 H new ATOM 0 HG LEU A 31 35.829 -6.449 -22.980 1.00 0.00 H new ATOM 0 HD11 LEU A 31 35.527 -8.438 -24.433 1.00 0.00 H new ATOM 0 HD12 LEU A 31 37.250 -8.101 -24.141 1.00 0.00 H new ATOM 0 HD13 LEU A 31 36.442 -9.423 -23.267 1.00 0.00 H new ATOM 0 HD21 LEU A 31 33.861 -7.952 -22.712 1.00 0.00 H new ATOM 0 HD22 LEU A 31 34.769 -8.907 -21.516 1.00 0.00 H new ATOM 0 HD23 LEU A 31 34.333 -7.219 -21.160 1.00 0.00 H new ATOM 412 N LYS A 32 40.254 -7.524 -20.569 1.00 0.00 N ATOM 413 CA LYS A 32 41.239 -6.837 -19.702 1.00 0.00 C ATOM 414 C LYS A 32 42.051 -5.844 -20.545 1.00 0.00 C ATOM 415 O LYS A 32 41.580 -4.776 -20.876 1.00 0.00 O ATOM 416 CB LYS A 32 42.166 -7.863 -19.036 1.00 0.00 C ATOM 417 CG LYS A 32 42.541 -8.960 -20.038 1.00 0.00 C ATOM 418 CD LYS A 32 42.172 -10.327 -19.459 1.00 0.00 C ATOM 419 CE LYS A 32 43.218 -10.737 -18.418 1.00 0.00 C ATOM 420 NZ LYS A 32 42.674 -11.837 -17.573 1.00 0.00 N ATOM 0 H LYS A 32 40.304 -8.543 -20.579 1.00 0.00 H new ATOM 0 HA LYS A 32 40.714 -6.293 -18.917 1.00 0.00 H new ATOM 0 HB2 LYS A 32 43.067 -7.369 -18.672 1.00 0.00 H new ATOM 0 HB3 LYS A 32 41.672 -8.304 -18.170 1.00 0.00 H new ATOM 0 HG2 LYS A 32 42.019 -8.800 -20.981 1.00 0.00 H new ATOM 0 HG3 LYS A 32 43.609 -8.921 -20.254 1.00 0.00 H new ATOM 0 HD2 LYS A 32 41.184 -10.286 -19.001 1.00 0.00 H new ATOM 0 HD3 LYS A 32 42.124 -11.070 -20.255 1.00 0.00 H new ATOM 0 HE2 LYS A 32 44.132 -11.063 -18.914 1.00 0.00 H new ATOM 0 HE3 LYS A 32 43.481 -9.882 -17.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 43.384 -12.115 -16.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 41.814 -11.510 -17.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 42.444 -12.655 -18.173 1.00 0.00 H new ATOM 434 N LYS A 33 43.261 -6.176 -20.909 1.00 0.00 N ATOM 435 CA LYS A 33 44.064 -5.227 -21.732 1.00 0.00 C ATOM 436 C LYS A 33 45.122 -5.994 -22.521 1.00 0.00 C ATOM 437 O LYS A 33 45.362 -5.732 -23.683 1.00 0.00 O ATOM 438 CB LYS A 33 44.756 -4.226 -20.809 1.00 0.00 C ATOM 439 CG LYS A 33 45.884 -4.927 -20.049 1.00 0.00 C ATOM 440 CD LYS A 33 46.464 -3.973 -19.004 1.00 0.00 C ATOM 441 CE LYS A 33 46.997 -2.719 -19.698 1.00 0.00 C ATOM 442 NZ LYS A 33 47.462 -1.743 -18.671 1.00 0.00 N ATOM 0 H LYS A 33 43.724 -7.054 -20.675 1.00 0.00 H new ATOM 0 HA LYS A 33 43.406 -4.703 -22.425 1.00 0.00 H new ATOM 0 HB2 LYS A 33 45.156 -3.396 -21.391 1.00 0.00 H new ATOM 0 HB3 LYS A 33 44.036 -3.805 -20.106 1.00 0.00 H new ATOM 0 HG2 LYS A 33 45.506 -5.827 -19.565 1.00 0.00 H new ATOM 0 HG3 LYS A 33 46.664 -5.241 -20.743 1.00 0.00 H new ATOM 0 HD2 LYS A 33 45.697 -3.702 -18.278 1.00 0.00 H new ATOM 0 HD3 LYS A 33 47.265 -4.465 -18.452 1.00 0.00 H new ATOM 0 HE2 LYS A 33 47.818 -2.981 -20.365 1.00 0.00 H new ATOM 0 HE3 LYS A 33 46.217 -2.272 -20.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 47.825 -0.890 -19.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 46.667 -1.485 -18.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 48.219 -2.172 -18.102 1.00 0.00 H new ATOM 456 N GLU A 34 45.769 -6.926 -21.888 1.00 0.00 N ATOM 457 CA GLU A 34 46.829 -7.700 -22.576 1.00 0.00 C ATOM 458 C GLU A 34 46.240 -8.510 -23.735 1.00 0.00 C ATOM 459 O GLU A 34 46.839 -8.620 -24.780 1.00 0.00 O ATOM 460 CB GLU A 34 47.499 -8.652 -21.577 1.00 0.00 C ATOM 461 CG GLU A 34 46.430 -9.440 -20.816 1.00 0.00 C ATOM 462 CD GLU A 34 47.100 -10.537 -19.984 1.00 0.00 C ATOM 463 OE1 GLU A 34 47.488 -11.538 -20.564 1.00 0.00 O ATOM 464 OE2 GLU A 34 47.213 -10.356 -18.783 1.00 0.00 O ATOM 0 H GLU A 34 45.607 -7.186 -20.915 1.00 0.00 H new ATOM 0 HA GLU A 34 47.566 -7.003 -22.975 1.00 0.00 H new ATOM 0 HB2 GLU A 34 48.164 -9.337 -22.103 1.00 0.00 H new ATOM 0 HB3 GLU A 34 48.114 -8.086 -20.877 1.00 0.00 H new ATOM 0 HG2 GLU A 34 45.863 -8.772 -20.168 1.00 0.00 H new ATOM 0 HG3 GLU A 34 45.721 -9.882 -21.516 1.00 0.00 H new ATOM 471 N ALA A 35 45.088 -9.096 -23.552 1.00 0.00 N ATOM 472 CA ALA A 35 44.486 -9.924 -24.636 1.00 0.00 C ATOM 473 C ALA A 35 43.815 -9.053 -25.699 1.00 0.00 C ATOM 474 O ALA A 35 44.080 -9.198 -26.876 1.00 0.00 O ATOM 475 CB ALA A 35 43.453 -10.876 -24.031 1.00 0.00 C ATOM 0 H ALA A 35 44.536 -9.037 -22.696 1.00 0.00 H new ATOM 0 HA ALA A 35 45.285 -10.489 -25.117 1.00 0.00 H new ATOM 0 HB1 ALA A 35 43.011 -11.483 -24.821 1.00 0.00 H new ATOM 0 HB2 ALA A 35 43.939 -11.526 -23.303 1.00 0.00 H new ATOM 0 HB3 ALA A 35 42.672 -10.299 -23.537 1.00 0.00 H new ATOM 481 N LEU A 36 42.947 -8.158 -25.317 1.00 0.00 N ATOM 482 CA LEU A 36 42.289 -7.314 -26.351 1.00 0.00 C ATOM 483 C LEU A 36 43.351 -6.438 -27.007 1.00 0.00 C ATOM 484 O LEU A 36 43.128 -5.839 -28.038 1.00 0.00 O ATOM 485 CB LEU A 36 41.166 -6.461 -25.751 1.00 0.00 C ATOM 486 CG LEU A 36 41.684 -5.607 -24.602 1.00 0.00 C ATOM 487 CD1 LEU A 36 40.846 -4.325 -24.509 1.00 0.00 C ATOM 488 CD2 LEU A 36 41.530 -6.381 -23.306 1.00 0.00 C ATOM 0 H LEU A 36 42.669 -7.977 -24.353 1.00 0.00 H new ATOM 0 HA LEU A 36 41.826 -7.957 -27.099 1.00 0.00 H new ATOM 0 HB2 LEU A 36 40.740 -5.819 -26.522 1.00 0.00 H new ATOM 0 HB3 LEU A 36 40.364 -7.108 -25.395 1.00 0.00 H new ATOM 0 HG LEU A 36 42.731 -5.357 -24.772 1.00 0.00 H new ATOM 0 HD11 LEU A 36 41.213 -3.709 -23.688 1.00 0.00 H new ATOM 0 HD12 LEU A 36 40.927 -3.769 -25.443 1.00 0.00 H new ATOM 0 HD13 LEU A 36 39.803 -4.585 -24.330 1.00 0.00 H new ATOM 0 HD21 LEU A 36 41.898 -5.778 -22.476 1.00 0.00 H new ATOM 0 HD22 LEU A 36 40.478 -6.616 -23.145 1.00 0.00 H new ATOM 0 HD23 LEU A 36 42.103 -7.306 -23.365 1.00 0.00 H new ATOM 500 N GLU A 37 44.526 -6.392 -26.436 1.00 0.00 N ATOM 501 CA GLU A 37 45.612 -5.605 -27.047 1.00 0.00 C ATOM 502 C GLU A 37 46.775 -6.544 -27.378 1.00 0.00 C ATOM 503 O GLU A 37 47.773 -6.143 -27.943 1.00 0.00 O ATOM 504 CB GLU A 37 46.082 -4.502 -26.105 1.00 0.00 C ATOM 505 CG GLU A 37 46.225 -3.212 -26.913 1.00 0.00 C ATOM 506 CD GLU A 37 47.698 -2.973 -27.248 1.00 0.00 C ATOM 507 OE1 GLU A 37 48.415 -2.505 -26.379 1.00 0.00 O ATOM 508 OE2 GLU A 37 48.085 -3.262 -28.368 1.00 0.00 O ATOM 0 H GLU A 37 44.771 -6.871 -25.569 1.00 0.00 H new ATOM 0 HA GLU A 37 45.243 -5.132 -27.957 1.00 0.00 H new ATOM 0 HB2 GLU A 37 45.367 -4.365 -25.294 1.00 0.00 H new ATOM 0 HB3 GLU A 37 47.034 -4.772 -25.649 1.00 0.00 H new ATOM 0 HG2 GLU A 37 45.640 -3.280 -27.830 1.00 0.00 H new ATOM 0 HG3 GLU A 37 45.830 -2.370 -26.344 1.00 0.00 H new ATOM 515 N GLN A 38 46.636 -7.805 -27.053 1.00 0.00 N ATOM 516 CA GLN A 38 47.695 -8.786 -27.364 1.00 0.00 C ATOM 517 C GLN A 38 47.772 -8.875 -28.878 1.00 0.00 C ATOM 518 O GLN A 38 48.823 -8.789 -29.481 1.00 0.00 O ATOM 519 CB GLN A 38 47.293 -10.148 -26.779 1.00 0.00 C ATOM 520 CG GLN A 38 47.900 -11.270 -27.616 1.00 0.00 C ATOM 521 CD GLN A 38 49.392 -10.997 -27.796 1.00 0.00 C ATOM 522 OE1 GLN A 38 50.010 -10.247 -26.922 1.00 0.00 O flip ATOM 523 NE2 GLN A 38 50.002 -11.467 -28.735 1.00 0.00 N flip ATOM 0 H GLN A 38 45.819 -8.192 -26.579 1.00 0.00 H new ATOM 0 HA GLN A 38 48.657 -8.495 -26.944 1.00 0.00 H new ATOM 0 HB2 GLN A 38 47.635 -10.226 -25.747 1.00 0.00 H new ATOM 0 HB3 GLN A 38 46.207 -10.241 -26.763 1.00 0.00 H new ATOM 0 HG2 GLN A 38 47.749 -12.231 -27.125 1.00 0.00 H new ATOM 0 HG3 GLN A 38 47.407 -11.326 -28.586 1.00 0.00 H new ATOM 0 HE21 GLN A 38 49.518 -12.052 -29.416 1.00 0.00 H new ATOM 0 HE22 GLN A 38 50.998 -11.277 -28.843 1.00 0.00 H new ATOM 532 N PHE A 39 46.635 -9.024 -29.482 1.00 0.00 N ATOM 533 CA PHE A 39 46.584 -9.097 -30.960 1.00 0.00 C ATOM 534 C PHE A 39 46.502 -7.682 -31.531 1.00 0.00 C ATOM 535 O PHE A 39 47.014 -7.399 -32.596 1.00 0.00 O ATOM 536 CB PHE A 39 45.382 -9.925 -31.417 1.00 0.00 C ATOM 537 CG PHE A 39 44.265 -9.874 -30.403 1.00 0.00 C ATOM 538 CD1 PHE A 39 43.632 -8.662 -30.110 1.00 0.00 C ATOM 539 CD2 PHE A 39 43.863 -11.048 -29.751 1.00 0.00 C ATOM 540 CE1 PHE A 39 42.602 -8.626 -29.167 1.00 0.00 C ATOM 541 CE2 PHE A 39 42.831 -11.009 -28.809 1.00 0.00 C ATOM 542 CZ PHE A 39 42.201 -9.798 -28.517 1.00 0.00 C ATOM 0 H PHE A 39 45.733 -9.099 -29.013 1.00 0.00 H new ATOM 0 HA PHE A 39 47.488 -9.584 -31.326 1.00 0.00 H new ATOM 0 HB2 PHE A 39 45.023 -9.551 -32.376 1.00 0.00 H new ATOM 0 HB3 PHE A 39 45.688 -10.959 -31.573 1.00 0.00 H new ATOM 0 HD1 PHE A 39 43.939 -7.756 -30.612 1.00 0.00 H new ATOM 0 HD2 PHE A 39 44.352 -11.984 -29.977 1.00 0.00 H new ATOM 0 HE1 PHE A 39 42.114 -7.690 -28.939 1.00 0.00 H new ATOM 0 HE2 PHE A 39 42.522 -11.914 -28.308 1.00 0.00 H new ATOM 0 HZ PHE A 39 41.404 -9.766 -27.789 1.00 0.00 H new ATOM 552 N GLY A 40 45.882 -6.790 -30.817 1.00 0.00 N ATOM 553 CA GLY A 40 45.784 -5.380 -31.303 1.00 0.00 C ATOM 554 C GLY A 40 44.322 -4.989 -31.534 1.00 0.00 C ATOM 555 O GLY A 40 43.745 -5.302 -32.555 1.00 0.00 O ATOM 0 H GLY A 40 45.437 -6.971 -29.917 1.00 0.00 H new ATOM 0 HA2 GLY A 40 46.235 -4.707 -30.574 1.00 0.00 H new ATOM 0 HA3 GLY A 40 46.346 -5.269 -32.230 1.00 0.00 H new ATOM 559 N MET A 41 43.733 -4.293 -30.592 1.00 0.00 N ATOM 560 CA MET A 41 42.310 -3.856 -30.736 1.00 0.00 C ATOM 561 C MET A 41 41.720 -3.612 -29.343 1.00 0.00 C ATOM 562 O MET A 41 40.630 -4.049 -29.029 1.00 0.00 O ATOM 563 CB MET A 41 41.500 -4.939 -31.448 1.00 0.00 C ATOM 564 CG MET A 41 41.913 -6.303 -30.910 1.00 0.00 C ATOM 565 SD MET A 41 40.437 -7.337 -30.735 1.00 0.00 S ATOM 566 CE MET A 41 39.834 -7.157 -32.432 1.00 0.00 C ATOM 0 H MET A 41 44.182 -4.007 -29.722 1.00 0.00 H new ATOM 0 HA MET A 41 42.270 -2.939 -31.324 1.00 0.00 H new ATOM 0 HB2 MET A 41 40.434 -4.778 -31.287 1.00 0.00 H new ATOM 0 HB3 MET A 41 41.671 -4.891 -32.523 1.00 0.00 H new ATOM 0 HG2 MET A 41 42.626 -6.775 -31.587 1.00 0.00 H new ATOM 0 HG3 MET A 41 42.412 -6.193 -29.947 1.00 0.00 H new ATOM 0 HE1 MET A 41 38.995 -7.834 -32.594 1.00 0.00 H new ATOM 0 HE2 MET A 41 39.508 -6.130 -32.595 1.00 0.00 H new ATOM 0 HE3 MET A 41 40.635 -7.399 -33.130 1.00 0.00 H new ATOM 576 N TYR A 42 42.443 -2.924 -28.505 1.00 0.00 N ATOM 577 CA TYR A 42 41.953 -2.646 -27.128 1.00 0.00 C ATOM 578 C TYR A 42 41.499 -1.180 -27.049 1.00 0.00 C ATOM 579 O TYR A 42 41.384 -0.598 -25.988 1.00 0.00 O ATOM 580 CB TYR A 42 43.114 -2.949 -26.152 1.00 0.00 C ATOM 581 CG TYR A 42 43.494 -1.745 -25.317 1.00 0.00 C ATOM 582 CD1 TYR A 42 44.057 -0.619 -25.925 1.00 0.00 C ATOM 583 CD2 TYR A 42 43.274 -1.759 -23.935 1.00 0.00 C ATOM 584 CE1 TYR A 42 44.399 0.497 -25.149 1.00 0.00 C ATOM 585 CE2 TYR A 42 43.615 -0.648 -23.160 1.00 0.00 C ATOM 586 CZ TYR A 42 44.176 0.483 -23.766 1.00 0.00 C ATOM 587 OH TYR A 42 44.512 1.580 -23.001 1.00 0.00 O ATOM 0 H TYR A 42 43.363 -2.538 -28.719 1.00 0.00 H new ATOM 0 HA TYR A 42 41.098 -3.268 -26.863 1.00 0.00 H new ATOM 0 HB2 TYR A 42 42.827 -3.769 -25.493 1.00 0.00 H new ATOM 0 HB3 TYR A 42 43.983 -3.284 -26.718 1.00 0.00 H new ATOM 0 HD1 TYR A 42 44.228 -0.609 -26.991 1.00 0.00 H new ATOM 0 HD2 TYR A 42 42.840 -2.630 -23.467 1.00 0.00 H new ATOM 0 HE1 TYR A 42 44.834 1.367 -25.617 1.00 0.00 H new ATOM 0 HE2 TYR A 42 43.446 -0.661 -22.093 1.00 0.00 H new ATOM 0 HH TYR A 42 44.291 1.405 -22.063 1.00 0.00 H new ATOM 597 N SER A 43 41.252 -0.579 -28.176 1.00 0.00 N ATOM 598 CA SER A 43 40.833 0.848 -28.183 1.00 0.00 C ATOM 599 C SER A 43 39.339 0.968 -28.476 1.00 0.00 C ATOM 600 O SER A 43 38.699 0.031 -28.912 1.00 0.00 O ATOM 601 CB SER A 43 41.617 1.587 -29.269 1.00 0.00 C ATOM 602 OG SER A 43 41.105 1.231 -30.546 1.00 0.00 O ATOM 0 H SER A 43 41.322 -1.015 -29.095 1.00 0.00 H new ATOM 0 HA SER A 43 41.034 1.282 -27.204 1.00 0.00 H new ATOM 0 HB2 SER A 43 41.538 2.664 -29.121 1.00 0.00 H new ATOM 0 HB3 SER A 43 42.675 1.333 -29.206 1.00 0.00 H new ATOM 0 HG SER A 43 41.605 1.705 -31.243 1.00 0.00 H new ATOM 608 N GLU A 44 38.784 2.124 -28.244 1.00 0.00 N ATOM 609 CA GLU A 44 37.341 2.333 -28.512 1.00 0.00 C ATOM 610 C GLU A 44 37.001 1.813 -29.907 1.00 0.00 C ATOM 611 O GLU A 44 36.185 0.948 -30.058 1.00 0.00 O ATOM 612 CB GLU A 44 37.020 3.826 -28.430 1.00 0.00 C ATOM 613 CG GLU A 44 36.442 4.150 -27.050 1.00 0.00 C ATOM 614 CD GLU A 44 35.883 5.575 -27.053 1.00 0.00 C ATOM 615 OE1 GLU A 44 36.568 6.458 -27.541 1.00 0.00 O ATOM 616 OE2 GLU A 44 34.780 5.758 -26.564 1.00 0.00 O ATOM 0 H GLU A 44 39.276 2.939 -27.877 1.00 0.00 H new ATOM 0 HA GLU A 44 36.751 1.793 -27.771 1.00 0.00 H new ATOM 0 HB2 GLU A 44 37.922 4.413 -28.605 1.00 0.00 H new ATOM 0 HB3 GLU A 44 36.307 4.099 -29.208 1.00 0.00 H new ATOM 0 HG2 GLU A 44 35.655 3.440 -26.798 1.00 0.00 H new ATOM 0 HG3 GLU A 44 37.215 4.053 -26.288 1.00 0.00 H new ATOM 623 N ASP A 45 37.608 2.336 -30.931 1.00 0.00 N ATOM 624 CA ASP A 45 37.281 1.858 -32.299 1.00 0.00 C ATOM 625 C ASP A 45 37.507 0.343 -32.421 1.00 0.00 C ATOM 626 O ASP A 45 36.900 -0.317 -33.240 1.00 0.00 O ATOM 627 CB ASP A 45 38.155 2.588 -33.304 1.00 0.00 C ATOM 628 CG ASP A 45 37.561 2.440 -34.706 1.00 0.00 C ATOM 629 OD1 ASP A 45 36.642 1.652 -34.857 1.00 0.00 O ATOM 630 OD2 ASP A 45 38.034 3.117 -35.604 1.00 0.00 O ATOM 0 H ASP A 45 38.314 3.071 -30.881 1.00 0.00 H new ATOM 0 HA ASP A 45 36.229 2.063 -32.500 1.00 0.00 H new ATOM 0 HB2 ASP A 45 38.228 3.643 -33.039 1.00 0.00 H new ATOM 0 HB3 ASP A 45 39.167 2.183 -33.282 1.00 0.00 H new ATOM 635 N ALA A 46 38.377 -0.213 -31.621 1.00 0.00 N ATOM 636 CA ALA A 46 38.642 -1.685 -31.701 1.00 0.00 C ATOM 637 C ALA A 46 37.433 -2.472 -31.207 1.00 0.00 C ATOM 638 O ALA A 46 36.742 -3.128 -31.965 1.00 0.00 O ATOM 639 CB ALA A 46 39.848 -2.027 -30.830 1.00 0.00 C ATOM 0 H ALA A 46 38.917 0.286 -30.914 1.00 0.00 H new ATOM 0 HA ALA A 46 38.839 -1.951 -32.740 1.00 0.00 H new ATOM 0 HB1 ALA A 46 40.045 -3.098 -30.885 1.00 0.00 H new ATOM 0 HB2 ALA A 46 40.721 -1.479 -31.185 1.00 0.00 H new ATOM 0 HB3 ALA A 46 39.641 -1.749 -29.797 1.00 0.00 H new ATOM 645 N ILE A 47 37.188 -2.417 -29.940 1.00 0.00 N ATOM 646 CA ILE A 47 36.041 -3.154 -29.358 1.00 0.00 C ATOM 647 C ILE A 47 34.740 -2.607 -29.945 1.00 0.00 C ATOM 648 O ILE A 47 33.745 -3.291 -30.042 1.00 0.00 O ATOM 649 CB ILE A 47 36.079 -2.921 -27.860 1.00 0.00 C ATOM 650 CG1 ILE A 47 34.799 -3.398 -27.186 1.00 0.00 C ATOM 651 CG2 ILE A 47 36.222 -1.440 -27.562 1.00 0.00 C ATOM 652 CD1 ILE A 47 35.060 -3.446 -25.682 1.00 0.00 C ATOM 0 H ILE A 47 37.741 -1.885 -29.268 1.00 0.00 H new ATOM 0 HA ILE A 47 36.096 -4.219 -29.581 1.00 0.00 H new ATOM 0 HB ILE A 47 36.930 -3.483 -27.475 1.00 0.00 H new ATOM 0 HG12 ILE A 47 33.973 -2.722 -27.410 1.00 0.00 H new ATOM 0 HG13 ILE A 47 34.515 -4.383 -27.557 1.00 0.00 H new ATOM 0 HG21 ILE A 47 36.248 -1.287 -26.483 1.00 0.00 H new ATOM 0 HG22 ILE A 47 37.146 -1.068 -28.004 1.00 0.00 H new ATOM 0 HG23 ILE A 47 35.375 -0.900 -27.985 1.00 0.00 H new ATOM 0 HD11 ILE A 47 34.161 -3.785 -25.167 1.00 0.00 H new ATOM 0 HD12 ILE A 47 35.878 -4.137 -25.476 1.00 0.00 H new ATOM 0 HD13 ILE A 47 35.328 -2.451 -25.327 1.00 0.00 H new ATOM 664 N ILE A 48 34.758 -1.370 -30.338 1.00 0.00 N ATOM 665 CA ILE A 48 33.543 -0.740 -30.923 1.00 0.00 C ATOM 666 C ILE A 48 33.197 -1.434 -32.239 1.00 0.00 C ATOM 667 O ILE A 48 32.078 -1.389 -32.688 1.00 0.00 O ATOM 668 CB ILE A 48 33.810 0.752 -31.175 1.00 0.00 C ATOM 669 CG1 ILE A 48 33.720 1.521 -29.858 1.00 0.00 C ATOM 670 CG2 ILE A 48 32.773 1.318 -32.139 1.00 0.00 C ATOM 671 CD1 ILE A 48 34.134 2.976 -30.088 1.00 0.00 C ATOM 0 H ILE A 48 35.572 -0.758 -30.279 1.00 0.00 H new ATOM 0 HA ILE A 48 32.707 -0.842 -30.231 1.00 0.00 H new ATOM 0 HB ILE A 48 34.806 0.857 -31.605 1.00 0.00 H new ATOM 0 HG12 ILE A 48 32.703 1.478 -29.468 1.00 0.00 H new ATOM 0 HG13 ILE A 48 34.367 1.061 -29.111 1.00 0.00 H new ATOM 0 HG21 ILE A 48 32.973 2.376 -32.309 1.00 0.00 H new ATOM 0 HG22 ILE A 48 32.826 0.782 -33.086 1.00 0.00 H new ATOM 0 HG23 ILE A 48 31.777 1.202 -31.712 1.00 0.00 H new ATOM 0 HD11 ILE A 48 34.070 3.525 -29.149 1.00 0.00 H new ATOM 0 HD12 ILE A 48 35.159 3.009 -30.458 1.00 0.00 H new ATOM 0 HD13 ILE A 48 33.469 3.432 -30.821 1.00 0.00 H new ATOM 683 N TYR A 49 34.148 -2.074 -32.861 1.00 0.00 N ATOM 684 CA TYR A 49 33.859 -2.767 -34.150 1.00 0.00 C ATOM 685 C TYR A 49 33.468 -4.223 -33.883 1.00 0.00 C ATOM 686 O TYR A 49 32.414 -4.668 -34.271 1.00 0.00 O ATOM 687 CB TYR A 49 35.096 -2.722 -35.051 1.00 0.00 C ATOM 688 CG TYR A 49 34.904 -3.676 -36.204 1.00 0.00 C ATOM 689 CD1 TYR A 49 33.908 -3.425 -37.154 1.00 0.00 C ATOM 690 CD2 TYR A 49 35.713 -4.813 -36.319 1.00 0.00 C ATOM 691 CE1 TYR A 49 33.719 -4.311 -38.218 1.00 0.00 C ATOM 692 CE2 TYR A 49 35.524 -5.699 -37.386 1.00 0.00 C ATOM 693 CZ TYR A 49 34.527 -5.448 -38.336 1.00 0.00 C ATOM 694 OH TYR A 49 34.340 -6.322 -39.386 1.00 0.00 O ATOM 0 H TYR A 49 35.111 -2.148 -32.534 1.00 0.00 H new ATOM 0 HA TYR A 49 33.032 -2.261 -34.648 1.00 0.00 H new ATOM 0 HB2 TYR A 49 35.253 -1.710 -35.423 1.00 0.00 H new ATOM 0 HB3 TYR A 49 35.985 -2.994 -34.482 1.00 0.00 H new ATOM 0 HD1 TYR A 49 33.286 -2.547 -37.065 1.00 0.00 H new ATOM 0 HD2 TYR A 49 36.482 -5.006 -35.585 1.00 0.00 H new ATOM 0 HE1 TYR A 49 32.949 -4.118 -38.950 1.00 0.00 H new ATOM 0 HE2 TYR A 49 36.147 -6.576 -37.476 1.00 0.00 H new ATOM 0 HH TYR A 49 34.985 -7.057 -39.319 1.00 0.00 H new ATOM 704 N GLN A 50 34.295 -4.980 -33.226 1.00 0.00 N ATOM 705 CA GLN A 50 33.912 -6.398 -32.968 1.00 0.00 C ATOM 706 C GLN A 50 32.612 -6.429 -32.160 1.00 0.00 C ATOM 707 O GLN A 50 31.969 -7.450 -32.044 1.00 0.00 O ATOM 708 CB GLN A 50 35.016 -7.104 -32.191 1.00 0.00 C ATOM 709 CG GLN A 50 35.455 -6.211 -31.043 1.00 0.00 C ATOM 710 CD GLN A 50 36.848 -5.650 -31.346 1.00 0.00 C ATOM 711 OE1 GLN A 50 37.159 -5.356 -32.483 1.00 0.00 O ATOM 712 NE2 GLN A 50 37.706 -5.493 -30.374 1.00 0.00 N ATOM 0 H GLN A 50 35.202 -4.690 -32.861 1.00 0.00 H new ATOM 0 HA GLN A 50 33.767 -6.911 -33.918 1.00 0.00 H new ATOM 0 HB2 GLN A 50 34.657 -8.060 -31.810 1.00 0.00 H new ATOM 0 HB3 GLN A 50 35.860 -7.319 -32.846 1.00 0.00 H new ATOM 0 HG2 GLN A 50 34.743 -5.397 -30.907 1.00 0.00 H new ATOM 0 HG3 GLN A 50 35.473 -6.777 -30.112 1.00 0.00 H new ATOM 0 HE21 GLN A 50 37.446 -5.740 -29.419 1.00 0.00 H new ATOM 0 HE22 GLN A 50 38.636 -5.124 -30.570 1.00 0.00 H new ATOM 721 N VAL A 51 32.225 -5.314 -31.594 1.00 0.00 N ATOM 722 CA VAL A 51 30.971 -5.274 -30.783 1.00 0.00 C ATOM 723 C VAL A 51 29.830 -4.661 -31.585 1.00 0.00 C ATOM 724 O VAL A 51 28.698 -5.099 -31.516 1.00 0.00 O ATOM 725 CB VAL A 51 31.187 -4.384 -29.569 1.00 0.00 C ATOM 726 CG1 VAL A 51 29.909 -4.352 -28.730 1.00 0.00 C ATOM 727 CG2 VAL A 51 32.339 -4.926 -28.720 1.00 0.00 C ATOM 0 H VAL A 51 32.725 -4.427 -31.659 1.00 0.00 H new ATOM 0 HA VAL A 51 30.724 -6.296 -30.495 1.00 0.00 H new ATOM 0 HB VAL A 51 31.434 -3.376 -29.904 1.00 0.00 H new ATOM 0 HG11 VAL A 51 30.061 -3.715 -27.859 1.00 0.00 H new ATOM 0 HG12 VAL A 51 29.090 -3.957 -29.330 1.00 0.00 H new ATOM 0 HG13 VAL A 51 29.664 -5.362 -28.402 1.00 0.00 H new ATOM 0 HG21 VAL A 51 32.486 -4.282 -27.853 1.00 0.00 H new ATOM 0 HG22 VAL A 51 32.101 -5.936 -28.386 1.00 0.00 H new ATOM 0 HG23 VAL A 51 33.252 -4.947 -29.316 1.00 0.00 H new ATOM 737 N GLN A 52 30.114 -3.627 -32.316 1.00 0.00 N ATOM 738 CA GLN A 52 29.051 -2.951 -33.094 1.00 0.00 C ATOM 739 C GLN A 52 28.430 -3.926 -34.074 1.00 0.00 C ATOM 740 O GLN A 52 27.377 -3.683 -34.628 1.00 0.00 O ATOM 741 CB GLN A 52 29.657 -1.791 -33.849 1.00 0.00 C ATOM 742 CG GLN A 52 29.471 -0.507 -33.038 1.00 0.00 C ATOM 743 CD GLN A 52 29.387 0.691 -33.982 1.00 0.00 C ATOM 744 OE1 GLN A 52 30.020 1.703 -33.757 1.00 0.00 O ATOM 745 NE2 GLN A 52 28.628 0.617 -35.036 1.00 0.00 N ATOM 0 H GLN A 52 31.044 -3.219 -32.408 1.00 0.00 H new ATOM 0 HA GLN A 52 28.277 -2.589 -32.417 1.00 0.00 H new ATOM 0 HB2 GLN A 52 30.717 -1.972 -34.027 1.00 0.00 H new ATOM 0 HB3 GLN A 52 29.183 -1.690 -34.825 1.00 0.00 H new ATOM 0 HG2 GLN A 52 28.564 -0.573 -32.437 1.00 0.00 H new ATOM 0 HG3 GLN A 52 30.303 -0.379 -32.346 1.00 0.00 H new ATOM 0 HE21 GLN A 52 28.097 -0.234 -35.223 1.00 0.00 H new ATOM 0 HE22 GLN A 52 28.564 1.410 -35.675 1.00 0.00 H new ATOM 754 N HIS A 53 29.072 -5.030 -34.295 1.00 0.00 N ATOM 755 CA HIS A 53 28.524 -6.019 -35.235 1.00 0.00 C ATOM 756 C HIS A 53 29.059 -7.368 -34.817 1.00 0.00 C ATOM 757 O HIS A 53 29.199 -8.273 -35.616 1.00 0.00 O ATOM 758 CB HIS A 53 28.988 -5.733 -36.652 1.00 0.00 C ATOM 759 CG HIS A 53 29.481 -4.309 -36.797 1.00 0.00 C ATOM 760 ND1 HIS A 53 30.357 -3.552 -36.056 1.00 0.00 N flip ATOM 761 CD2 HIS A 53 29.072 -3.489 -37.839 1.00 0.00 C flip ATOM 762 CE1 HIS A 53 30.491 -2.291 -36.623 1.00 0.00 C flip ATOM 763 NE2 HIS A 53 29.697 -2.304 -37.693 1.00 0.00 N flip ATOM 0 H HIS A 53 29.958 -5.287 -33.860 1.00 0.00 H new ATOM 0 HA HIS A 53 27.435 -5.985 -35.217 1.00 0.00 H new ATOM 0 HB2 HIS A 53 29.786 -6.425 -36.921 1.00 0.00 H new ATOM 0 HB3 HIS A 53 28.167 -5.908 -37.347 1.00 0.00 H new ATOM 0 HD1 HIS A 53 30.838 -3.869 -35.214 1.00 0.00 H new ATOM 0 HD2 HIS A 53 28.379 -3.753 -38.624 1.00 0.00 H new ATOM 0 HE1 HIS A 53 31.106 -1.476 -36.272 1.00 0.00 H new ATOM 771 N GLY A 54 29.392 -7.504 -33.568 1.00 0.00 N ATOM 772 CA GLY A 54 29.950 -8.782 -33.120 1.00 0.00 C ATOM 773 C GLY A 54 31.185 -9.055 -33.948 1.00 0.00 C ATOM 774 O GLY A 54 31.948 -8.165 -34.266 1.00 0.00 O ATOM 0 H GLY A 54 29.299 -6.785 -32.850 1.00 0.00 H new ATOM 0 HA2 GLY A 54 30.201 -8.740 -32.060 1.00 0.00 H new ATOM 0 HA3 GLY A 54 29.221 -9.583 -33.244 1.00 0.00 H new ATOM 778 N LYS A 55 31.349 -10.279 -34.299 1.00 0.00 N ATOM 779 CA LYS A 55 32.507 -10.713 -35.136 1.00 0.00 C ATOM 780 C LYS A 55 32.799 -12.182 -34.849 1.00 0.00 C ATOM 781 O LYS A 55 32.812 -12.610 -33.714 1.00 0.00 O ATOM 782 CB LYS A 55 33.749 -9.873 -34.822 1.00 0.00 C ATOM 783 CG LYS A 55 34.082 -8.920 -35.991 1.00 0.00 C ATOM 784 CD LYS A 55 32.820 -8.493 -36.759 1.00 0.00 C ATOM 785 CE LYS A 55 32.783 -9.202 -38.113 1.00 0.00 C ATOM 786 NZ LYS A 55 31.366 -9.384 -38.539 1.00 0.00 N ATOM 0 H LYS A 55 30.714 -11.034 -34.039 1.00 0.00 H new ATOM 0 HA LYS A 55 32.257 -10.576 -36.188 1.00 0.00 H new ATOM 0 HB2 LYS A 55 33.581 -9.295 -33.913 1.00 0.00 H new ATOM 0 HB3 LYS A 55 34.598 -10.530 -34.630 1.00 0.00 H new ATOM 0 HG2 LYS A 55 34.589 -8.036 -35.605 1.00 0.00 H new ATOM 0 HG3 LYS A 55 34.774 -9.412 -36.675 1.00 0.00 H new ATOM 0 HD2 LYS A 55 31.929 -8.741 -36.182 1.00 0.00 H new ATOM 0 HD3 LYS A 55 32.817 -7.412 -36.902 1.00 0.00 H new ATOM 0 HE2 LYS A 55 33.325 -8.618 -38.856 1.00 0.00 H new ATOM 0 HE3 LYS A 55 33.280 -10.169 -38.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 31.340 -9.866 -39.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 30.862 -9.958 -37.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 30.906 -8.455 -38.621 1.00 0.00 H new ATOM 800 N ASN A 56 33.018 -12.956 -35.876 1.00 0.00 N ATOM 801 CA ASN A 56 33.294 -14.403 -35.677 1.00 0.00 C ATOM 802 C ASN A 56 32.061 -15.063 -35.054 1.00 0.00 C ATOM 803 O ASN A 56 31.210 -15.585 -35.746 1.00 0.00 O ATOM 804 CB ASN A 56 34.502 -14.583 -34.755 1.00 0.00 C ATOM 805 CG ASN A 56 35.765 -14.100 -35.469 1.00 0.00 C ATOM 806 OD1 ASN A 56 36.077 -12.833 -35.434 1.00 0.00 O flip ATOM 807 ND2 ASN A 56 36.476 -14.884 -36.068 1.00 0.00 N flip ATOM 0 H ASN A 56 33.017 -12.645 -36.848 1.00 0.00 H new ATOM 0 HA ASN A 56 33.515 -14.869 -36.637 1.00 0.00 H new ATOM 0 HB2 ASN A 56 34.356 -14.021 -33.832 1.00 0.00 H new ATOM 0 HB3 ASN A 56 34.607 -15.632 -34.476 1.00 0.00 H new ATOM 0 HD21 ASN A 56 36.233 -15.874 -36.096 1.00 0.00 H new ATOM 0 HD22 ASN A 56 37.315 -14.551 -36.543 1.00 0.00 H new ATOM 814 N ALA A 57 31.952 -15.040 -33.752 1.00 0.00 N ATOM 815 CA ALA A 57 30.768 -15.663 -33.094 1.00 0.00 C ATOM 816 C ALA A 57 30.222 -14.717 -32.018 1.00 0.00 C ATOM 817 O ALA A 57 29.925 -15.128 -30.914 1.00 0.00 O ATOM 818 CB ALA A 57 31.183 -16.985 -32.445 1.00 0.00 C ATOM 0 H ALA A 57 32.630 -14.618 -33.118 1.00 0.00 H new ATOM 0 HA ALA A 57 29.995 -15.849 -33.840 1.00 0.00 H new ATOM 0 HB1 ALA A 57 30.318 -17.441 -31.964 1.00 0.00 H new ATOM 0 HB2 ALA A 57 31.571 -17.659 -33.209 1.00 0.00 H new ATOM 0 HB3 ALA A 57 31.956 -16.798 -31.700 1.00 0.00 H new ATOM 824 N MET A 58 30.092 -13.452 -32.325 1.00 0.00 N ATOM 825 CA MET A 58 29.570 -12.493 -31.307 1.00 0.00 C ATOM 826 C MET A 58 28.388 -11.694 -31.889 1.00 0.00 C ATOM 827 O MET A 58 28.369 -11.392 -33.064 1.00 0.00 O ATOM 828 CB MET A 58 30.699 -11.550 -30.882 1.00 0.00 C ATOM 829 CG MET A 58 30.137 -10.368 -30.094 1.00 0.00 C ATOM 830 SD MET A 58 31.395 -9.080 -29.939 1.00 0.00 S ATOM 831 CE MET A 58 30.417 -7.974 -28.896 1.00 0.00 C ATOM 0 H MET A 58 30.323 -13.044 -33.231 1.00 0.00 H new ATOM 0 HA MET A 58 29.213 -13.041 -30.435 1.00 0.00 H new ATOM 0 HB2 MET A 58 31.423 -12.091 -30.272 1.00 0.00 H new ATOM 0 HB3 MET A 58 31.231 -11.189 -31.762 1.00 0.00 H new ATOM 0 HG2 MET A 58 29.256 -9.970 -30.597 1.00 0.00 H new ATOM 0 HG3 MET A 58 29.817 -10.698 -29.105 1.00 0.00 H new ATOM 0 HE1 MET A 58 31.084 -7.367 -28.284 1.00 0.00 H new ATOM 0 HE2 MET A 58 29.809 -7.324 -29.525 1.00 0.00 H new ATOM 0 HE3 MET A 58 29.768 -8.564 -28.249 1.00 0.00 H new ATOM 841 N PRO A 59 27.428 -11.396 -31.041 1.00 0.00 N ATOM 842 CA PRO A 59 26.209 -10.642 -31.423 1.00 0.00 C ATOM 843 C PRO A 59 26.427 -9.127 -31.584 1.00 0.00 C ATOM 844 O PRO A 59 26.712 -8.426 -30.635 1.00 0.00 O ATOM 845 CB PRO A 59 25.254 -10.903 -30.255 1.00 0.00 C ATOM 846 CG PRO A 59 26.121 -11.318 -29.051 1.00 0.00 C ATOM 847 CD PRO A 59 27.458 -11.806 -29.618 1.00 0.00 C ATOM 0 HA PRO A 59 25.847 -10.967 -32.398 1.00 0.00 H new ATOM 0 HB2 PRO A 59 24.674 -10.010 -30.023 1.00 0.00 H new ATOM 0 HB3 PRO A 59 24.542 -11.689 -30.507 1.00 0.00 H new ATOM 0 HG2 PRO A 59 26.272 -10.477 -28.374 1.00 0.00 H new ATOM 0 HG3 PRO A 59 25.634 -12.106 -28.477 1.00 0.00 H new ATOM 0 HD2 PRO A 59 28.300 -11.356 -29.093 1.00 0.00 H new ATOM 0 HD3 PRO A 59 27.561 -12.887 -29.518 1.00 0.00 H new ATOM 855 N ALA A 60 26.241 -8.620 -32.784 1.00 0.00 N ATOM 856 CA ALA A 60 26.371 -7.155 -33.029 1.00 0.00 C ATOM 857 C ALA A 60 25.785 -6.372 -31.854 1.00 0.00 C ATOM 858 O ALA A 60 25.013 -6.891 -31.072 1.00 0.00 O ATOM 859 CB ALA A 60 25.573 -6.808 -34.287 1.00 0.00 C ATOM 0 H ALA A 60 26.002 -9.170 -33.609 1.00 0.00 H new ATOM 0 HA ALA A 60 27.423 -6.897 -33.146 1.00 0.00 H new ATOM 0 HB1 ALA A 60 25.654 -5.739 -34.486 1.00 0.00 H new ATOM 0 HB2 ALA A 60 25.970 -7.366 -35.135 1.00 0.00 H new ATOM 0 HB3 ALA A 60 24.526 -7.071 -34.138 1.00 0.00 H new ATOM 865 N PHE A 61 26.130 -5.118 -31.734 1.00 0.00 N ATOM 866 CA PHE A 61 25.584 -4.306 -30.636 1.00 0.00 C ATOM 867 C PHE A 61 25.335 -2.877 -31.115 1.00 0.00 C ATOM 868 O PHE A 61 24.992 -2.006 -30.339 1.00 0.00 O ATOM 869 CB PHE A 61 26.550 -4.313 -29.458 1.00 0.00 C ATOM 870 CG PHE A 61 26.294 -5.553 -28.646 1.00 0.00 C ATOM 871 CD1 PHE A 61 25.162 -5.624 -27.830 1.00 0.00 C ATOM 872 CD2 PHE A 61 27.177 -6.635 -28.717 1.00 0.00 C ATOM 873 CE1 PHE A 61 24.912 -6.779 -27.081 1.00 0.00 C ATOM 874 CE2 PHE A 61 26.929 -7.790 -27.971 1.00 0.00 C ATOM 875 CZ PHE A 61 25.798 -7.864 -27.153 1.00 0.00 C ATOM 0 H PHE A 61 26.771 -4.629 -32.359 1.00 0.00 H new ATOM 0 HA PHE A 61 24.635 -4.733 -30.313 1.00 0.00 H new ATOM 0 HB2 PHE A 61 27.581 -4.297 -29.812 1.00 0.00 H new ATOM 0 HB3 PHE A 61 26.409 -3.422 -28.846 1.00 0.00 H new ATOM 0 HD1 PHE A 61 24.480 -4.788 -27.777 1.00 0.00 H new ATOM 0 HD2 PHE A 61 28.051 -6.578 -29.349 1.00 0.00 H new ATOM 0 HE1 PHE A 61 24.038 -6.835 -26.449 1.00 0.00 H new ATOM 0 HE2 PHE A 61 27.611 -8.626 -28.026 1.00 0.00 H new ATOM 0 HZ PHE A 61 25.606 -8.757 -26.576 1.00 0.00 H new ATOM 885 N ALA A 62 25.486 -2.628 -32.386 1.00 0.00 N ATOM 886 CA ALA A 62 25.240 -1.263 -32.903 1.00 0.00 C ATOM 887 C ALA A 62 23.846 -0.816 -32.467 1.00 0.00 C ATOM 888 O ALA A 62 23.543 0.360 -32.432 1.00 0.00 O ATOM 889 CB ALA A 62 25.321 -1.271 -34.431 1.00 0.00 C ATOM 0 H ALA A 62 25.769 -3.314 -33.085 1.00 0.00 H new ATOM 0 HA ALA A 62 25.990 -0.577 -32.510 1.00 0.00 H new ATOM 0 HB1 ALA A 62 25.140 -0.265 -34.810 1.00 0.00 H new ATOM 0 HB2 ALA A 62 26.312 -1.603 -34.741 1.00 0.00 H new ATOM 0 HB3 ALA A 62 24.569 -1.951 -34.832 1.00 0.00 H new ATOM 895 N GLY A 63 22.993 -1.748 -32.127 1.00 0.00 N ATOM 896 CA GLY A 63 21.624 -1.369 -31.690 1.00 0.00 C ATOM 897 C GLY A 63 21.107 -2.376 -30.665 1.00 0.00 C ATOM 898 O GLY A 63 19.916 -2.561 -30.511 1.00 0.00 O ATOM 0 H GLY A 63 23.188 -2.749 -32.134 1.00 0.00 H new ATOM 0 HA2 GLY A 63 21.635 -0.369 -31.256 1.00 0.00 H new ATOM 0 HA3 GLY A 63 20.955 -1.336 -32.550 1.00 0.00 H new ATOM 902 N ARG A 64 21.987 -3.003 -29.940 1.00 0.00 N ATOM 903 CA ARG A 64 21.540 -3.963 -28.905 1.00 0.00 C ATOM 904 C ARG A 64 21.654 -3.216 -27.606 1.00 0.00 C ATOM 905 O ARG A 64 20.769 -3.207 -26.774 1.00 0.00 O ATOM 906 CB ARG A 64 22.463 -5.178 -28.870 1.00 0.00 C ATOM 907 CG ARG A 64 21.858 -6.304 -29.703 1.00 0.00 C ATOM 908 CD ARG A 64 20.521 -6.704 -29.087 1.00 0.00 C ATOM 909 NE ARG A 64 20.105 -8.031 -29.623 1.00 0.00 N ATOM 910 CZ ARG A 64 20.639 -9.121 -29.146 1.00 0.00 C ATOM 911 NH1 ARG A 64 21.824 -9.497 -29.547 1.00 0.00 N ATOM 912 NH2 ARG A 64 19.988 -9.837 -28.270 1.00 0.00 N ATOM 0 H ARG A 64 22.997 -2.890 -30.022 1.00 0.00 H new ATOM 0 HA ARG A 64 20.529 -4.322 -29.099 1.00 0.00 H new ATOM 0 HB2 ARG A 64 23.446 -4.912 -29.259 1.00 0.00 H new ATOM 0 HB3 ARG A 64 22.606 -5.509 -27.841 1.00 0.00 H new ATOM 0 HG2 ARG A 64 21.717 -5.978 -30.733 1.00 0.00 H new ATOM 0 HG3 ARG A 64 22.533 -7.159 -29.729 1.00 0.00 H new ATOM 0 HD2 ARG A 64 20.607 -6.749 -28.001 1.00 0.00 H new ATOM 0 HD3 ARG A 64 19.764 -5.954 -29.316 1.00 0.00 H new ATOM 0 HE ARG A 64 19.404 -8.087 -30.362 1.00 0.00 H new ATOM 0 HH11 ARG A 64 22.331 -8.938 -30.233 1.00 0.00 H new ATOM 0 HH12 ARG A 64 22.242 -10.349 -29.174 1.00 0.00 H new ATOM 0 HH21 ARG A 64 19.062 -9.544 -27.959 1.00 0.00 H new ATOM 0 HH22 ARG A 64 20.405 -10.690 -27.897 1.00 0.00 H new ATOM 926 N LEU A 65 22.755 -2.543 -27.465 1.00 0.00 N ATOM 927 CA LEU A 65 22.975 -1.726 -26.259 1.00 0.00 C ATOM 928 C LEU A 65 22.373 -0.351 -26.498 1.00 0.00 C ATOM 929 O LEU A 65 21.453 -0.176 -27.274 1.00 0.00 O ATOM 930 CB LEU A 65 24.473 -1.559 -26.011 1.00 0.00 C ATOM 931 CG LEU A 65 25.202 -2.853 -26.332 1.00 0.00 C ATOM 932 CD1 LEU A 65 26.677 -2.680 -25.977 1.00 0.00 C ATOM 933 CD2 LEU A 65 24.599 -3.988 -25.507 1.00 0.00 C ATOM 0 H LEU A 65 23.517 -2.527 -28.143 1.00 0.00 H new ATOM 0 HA LEU A 65 22.515 -2.212 -25.399 1.00 0.00 H new ATOM 0 HB2 LEU A 65 24.864 -0.750 -26.628 1.00 0.00 H new ATOM 0 HB3 LEU A 65 24.649 -1.281 -24.972 1.00 0.00 H new ATOM 0 HG LEU A 65 25.104 -3.092 -27.391 1.00 0.00 H new ATOM 0 HD11 LEU A 65 27.216 -3.601 -26.201 1.00 0.00 H new ATOM 0 HD12 LEU A 65 27.098 -1.862 -26.561 1.00 0.00 H new ATOM 0 HD13 LEU A 65 26.772 -2.454 -24.915 1.00 0.00 H new ATOM 0 HD21 LEU A 65 25.119 -4.919 -25.734 1.00 0.00 H new ATOM 0 HD22 LEU A 65 24.705 -3.763 -24.446 1.00 0.00 H new ATOM 0 HD23 LEU A 65 23.542 -4.094 -25.752 1.00 0.00 H new ATOM 945 N THR A 66 22.907 0.617 -25.841 1.00 0.00 N ATOM 946 CA THR A 66 22.420 2.009 -26.000 1.00 0.00 C ATOM 947 C THR A 66 23.358 2.741 -26.957 1.00 0.00 C ATOM 948 O THR A 66 24.453 2.290 -27.218 1.00 0.00 O ATOM 949 CB THR A 66 22.435 2.715 -24.639 1.00 0.00 C ATOM 950 OG1 THR A 66 21.459 2.127 -23.791 1.00 0.00 O ATOM 951 CG2 THR A 66 22.122 4.194 -24.839 1.00 0.00 C ATOM 0 H THR A 66 23.679 0.508 -25.183 1.00 0.00 H new ATOM 0 HA THR A 66 21.403 2.008 -26.393 1.00 0.00 H new ATOM 0 HB THR A 66 23.418 2.611 -24.180 1.00 0.00 H new ATOM 0 HG1 THR A 66 21.469 2.576 -22.920 1.00 0.00 H new ATOM 0 HG21 THR A 66 22.131 4.702 -23.874 1.00 0.00 H new ATOM 0 HG22 THR A 66 22.873 4.640 -25.491 1.00 0.00 H new ATOM 0 HG23 THR A 66 21.138 4.299 -25.295 1.00 0.00 H new ATOM 959 N ASP A 67 22.959 3.868 -27.469 1.00 0.00 N ATOM 960 CA ASP A 67 23.858 4.612 -28.384 1.00 0.00 C ATOM 961 C ASP A 67 25.102 5.019 -27.597 1.00 0.00 C ATOM 962 O ASP A 67 26.233 4.674 -27.928 1.00 0.00 O ATOM 963 CB ASP A 67 23.140 5.863 -28.897 1.00 0.00 C ATOM 964 CG ASP A 67 22.717 5.648 -30.351 1.00 0.00 C ATOM 965 OD1 ASP A 67 22.085 4.640 -30.621 1.00 0.00 O ATOM 966 OD2 ASP A 67 23.031 6.495 -31.170 1.00 0.00 O ATOM 0 H ASP A 67 22.053 4.304 -27.294 1.00 0.00 H new ATOM 0 HA ASP A 67 24.136 3.991 -29.235 1.00 0.00 H new ATOM 0 HB2 ASP A 67 22.266 6.072 -28.280 1.00 0.00 H new ATOM 0 HB3 ASP A 67 23.798 6.729 -28.823 1.00 0.00 H new ATOM 971 N GLU A 68 24.880 5.737 -26.534 1.00 0.00 N ATOM 972 CA GLU A 68 25.995 6.199 -25.667 1.00 0.00 C ATOM 973 C GLU A 68 26.718 5.020 -25.014 1.00 0.00 C ATOM 974 O GLU A 68 27.628 5.223 -24.247 1.00 0.00 O ATOM 975 CB GLU A 68 25.419 7.084 -24.566 1.00 0.00 C ATOM 976 CG GLU A 68 26.557 7.649 -23.715 1.00 0.00 C ATOM 977 CD GLU A 68 26.258 9.109 -23.368 1.00 0.00 C ATOM 978 OE1 GLU A 68 25.487 9.334 -22.451 1.00 0.00 O ATOM 979 OE2 GLU A 68 26.807 9.977 -24.027 1.00 0.00 O ATOM 0 H GLU A 68 23.953 6.029 -26.224 1.00 0.00 H new ATOM 0 HA GLU A 68 26.709 6.746 -26.283 1.00 0.00 H new ATOM 0 HB2 GLU A 68 24.841 7.897 -25.004 1.00 0.00 H new ATOM 0 HB3 GLU A 68 24.736 6.508 -23.942 1.00 0.00 H new ATOM 0 HG2 GLU A 68 26.669 7.063 -22.803 1.00 0.00 H new ATOM 0 HG3 GLU A 68 27.500 7.579 -24.257 1.00 0.00 H new ATOM 986 N GLN A 69 26.349 3.799 -25.310 1.00 0.00 N ATOM 987 CA GLN A 69 27.061 2.650 -24.689 1.00 0.00 C ATOM 988 C GLN A 69 27.775 1.866 -25.767 1.00 0.00 C ATOM 989 O GLN A 69 28.823 1.311 -25.545 1.00 0.00 O ATOM 990 CB GLN A 69 26.131 1.774 -23.894 1.00 0.00 C ATOM 991 CG GLN A 69 26.165 2.285 -22.458 1.00 0.00 C ATOM 992 CD GLN A 69 25.068 3.326 -22.310 1.00 0.00 C ATOM 993 OE1 GLN A 69 23.926 2.999 -22.064 1.00 0.00 O ATOM 994 NE2 GLN A 69 25.369 4.578 -22.472 1.00 0.00 N ATOM 0 H GLN A 69 25.593 3.553 -25.949 1.00 0.00 H new ATOM 0 HA GLN A 69 27.795 3.036 -23.981 1.00 0.00 H new ATOM 0 HB2 GLN A 69 25.119 1.819 -24.297 1.00 0.00 H new ATOM 0 HB3 GLN A 69 26.447 0.732 -23.941 1.00 0.00 H new ATOM 0 HG2 GLN A 69 26.011 1.465 -21.757 1.00 0.00 H new ATOM 0 HG3 GLN A 69 27.138 2.720 -22.230 1.00 0.00 H new ATOM 0 HE21 GLN A 69 26.330 4.849 -22.679 1.00 0.00 H new ATOM 0 HE22 GLN A 69 24.644 5.291 -22.393 1.00 0.00 H new ATOM 1003 N ILE A 70 27.312 1.899 -26.982 1.00 0.00 N ATOM 1004 CA ILE A 70 28.140 1.243 -28.016 1.00 0.00 C ATOM 1005 C ILE A 70 29.467 2.002 -27.938 1.00 0.00 C ATOM 1006 O ILE A 70 30.513 1.537 -28.347 1.00 0.00 O ATOM 1007 CB ILE A 70 27.524 1.396 -29.403 1.00 0.00 C ATOM 1008 CG1 ILE A 70 26.080 0.911 -29.375 1.00 0.00 C ATOM 1009 CG2 ILE A 70 28.319 0.561 -30.402 1.00 0.00 C ATOM 1010 CD1 ILE A 70 25.172 2.053 -29.807 1.00 0.00 C ATOM 0 H ILE A 70 26.440 2.329 -27.291 1.00 0.00 H new ATOM 0 HA ILE A 70 28.240 0.170 -27.852 1.00 0.00 H new ATOM 0 HB ILE A 70 27.549 2.445 -29.699 1.00 0.00 H new ATOM 0 HG12 ILE A 70 25.956 0.057 -30.041 1.00 0.00 H new ATOM 0 HG13 ILE A 70 25.814 0.575 -28.373 1.00 0.00 H new ATOM 0 HG21 ILE A 70 27.882 0.668 -31.395 1.00 0.00 H new ATOM 0 HG22 ILE A 70 29.353 0.905 -30.422 1.00 0.00 H new ATOM 0 HG23 ILE A 70 28.291 -0.487 -30.104 1.00 0.00 H new ATOM 0 HD11 ILE A 70 24.135 1.719 -29.791 1.00 0.00 H new ATOM 0 HD12 ILE A 70 25.293 2.893 -29.123 1.00 0.00 H new ATOM 0 HD13 ILE A 70 25.437 2.366 -30.817 1.00 0.00 H new ATOM 1022 N GLN A 71 29.394 3.187 -27.356 1.00 0.00 N ATOM 1023 CA GLN A 71 30.563 4.043 -27.151 1.00 0.00 C ATOM 1024 C GLN A 71 31.065 3.844 -25.721 1.00 0.00 C ATOM 1025 O GLN A 71 32.099 3.264 -25.477 1.00 0.00 O ATOM 1026 CB GLN A 71 30.085 5.478 -27.298 1.00 0.00 C ATOM 1027 CG GLN A 71 30.033 5.855 -28.781 1.00 0.00 C ATOM 1028 CD GLN A 71 29.182 4.830 -29.536 1.00 0.00 C ATOM 1029 OE1 GLN A 71 29.686 3.821 -29.988 1.00 0.00 O ATOM 1030 NE2 GLN A 71 27.905 5.047 -29.694 1.00 0.00 N ATOM 0 H GLN A 71 28.523 3.589 -27.009 1.00 0.00 H new ATOM 0 HA GLN A 71 31.359 3.811 -27.859 1.00 0.00 H new ATOM 0 HB2 GLN A 71 29.098 5.590 -26.849 1.00 0.00 H new ATOM 0 HB3 GLN A 71 30.756 6.151 -26.765 1.00 0.00 H new ATOM 0 HG2 GLN A 71 29.611 6.853 -28.899 1.00 0.00 H new ATOM 0 HG3 GLN A 71 31.041 5.884 -29.196 1.00 0.00 H new ATOM 0 HE21 GLN A 71 27.481 5.894 -29.315 1.00 0.00 H new ATOM 0 HE22 GLN A 71 27.331 4.370 -30.196 1.00 0.00 H new ATOM 1039 N ASP A 72 30.313 4.343 -24.783 1.00 0.00 N ATOM 1040 CA ASP A 72 30.676 4.219 -23.351 1.00 0.00 C ATOM 1041 C ASP A 72 31.075 2.780 -23.037 1.00 0.00 C ATOM 1042 O ASP A 72 32.046 2.541 -22.367 1.00 0.00 O ATOM 1043 CB ASP A 72 29.459 4.580 -22.505 1.00 0.00 C ATOM 1044 CG ASP A 72 29.278 6.100 -22.488 1.00 0.00 C ATOM 1045 OD1 ASP A 72 29.901 6.761 -23.301 1.00 0.00 O ATOM 1046 OD2 ASP A 72 28.519 6.576 -21.659 1.00 0.00 O ATOM 0 H ASP A 72 29.441 4.843 -24.956 1.00 0.00 H new ATOM 0 HA ASP A 72 31.511 4.885 -23.131 1.00 0.00 H new ATOM 0 HB2 ASP A 72 28.567 4.102 -22.910 1.00 0.00 H new ATOM 0 HB3 ASP A 72 29.587 4.207 -21.489 1.00 0.00 H new ATOM 1051 N VAL A 73 30.299 1.834 -23.490 1.00 0.00 N ATOM 1052 CA VAL A 73 30.589 0.395 -23.209 1.00 0.00 C ATOM 1053 C VAL A 73 31.945 -0.014 -23.822 1.00 0.00 C ATOM 1054 O VAL A 73 32.642 -0.866 -23.307 1.00 0.00 O ATOM 1055 CB VAL A 73 29.457 -0.469 -23.796 1.00 0.00 C ATOM 1056 CG1 VAL A 73 29.819 -0.977 -25.200 1.00 0.00 C ATOM 1057 CG2 VAL A 73 29.226 -1.662 -22.882 1.00 0.00 C ATOM 0 H VAL A 73 29.463 1.998 -24.052 1.00 0.00 H new ATOM 0 HA VAL A 73 30.645 0.242 -22.131 1.00 0.00 H new ATOM 0 HB VAL A 73 28.557 0.141 -23.871 1.00 0.00 H new ATOM 0 HG11 VAL A 73 29.002 -1.584 -25.589 1.00 0.00 H new ATOM 0 HG12 VAL A 73 29.988 -0.128 -25.862 1.00 0.00 H new ATOM 0 HG13 VAL A 73 30.725 -1.580 -25.146 1.00 0.00 H new ATOM 0 HG21 VAL A 73 28.426 -2.282 -23.288 1.00 0.00 H new ATOM 0 HG22 VAL A 73 30.141 -2.250 -22.813 1.00 0.00 H new ATOM 0 HG23 VAL A 73 28.945 -1.311 -21.889 1.00 0.00 H new ATOM 1067 N ALA A 74 32.331 0.577 -24.911 1.00 0.00 N ATOM 1068 CA ALA A 74 33.646 0.209 -25.501 1.00 0.00 C ATOM 1069 C ALA A 74 34.717 0.848 -24.627 1.00 0.00 C ATOM 1070 O ALA A 74 35.501 0.180 -23.976 1.00 0.00 O ATOM 1071 CB ALA A 74 33.749 0.745 -26.927 1.00 0.00 C ATOM 0 H ALA A 74 31.803 1.290 -25.415 1.00 0.00 H new ATOM 0 HA ALA A 74 33.766 -0.874 -25.540 1.00 0.00 H new ATOM 0 HB1 ALA A 74 34.715 0.470 -27.350 1.00 0.00 H new ATOM 0 HB2 ALA A 74 32.952 0.317 -27.535 1.00 0.00 H new ATOM 0 HB3 ALA A 74 33.653 1.831 -26.915 1.00 0.00 H new ATOM 1077 N ALA A 75 34.712 2.147 -24.560 1.00 0.00 N ATOM 1078 CA ALA A 75 35.673 2.844 -23.677 1.00 0.00 C ATOM 1079 C ALA A 75 35.491 2.265 -22.271 1.00 0.00 C ATOM 1080 O ALA A 75 36.368 2.319 -21.432 1.00 0.00 O ATOM 1081 CB ALA A 75 35.334 4.338 -23.667 1.00 0.00 C ATOM 0 H ALA A 75 34.081 2.755 -25.082 1.00 0.00 H new ATOM 0 HA ALA A 75 36.700 2.713 -24.017 1.00 0.00 H new ATOM 0 HB1 ALA A 75 36.034 4.866 -23.020 1.00 0.00 H new ATOM 0 HB2 ALA A 75 35.407 4.734 -24.680 1.00 0.00 H new ATOM 0 HB3 ALA A 75 34.319 4.478 -23.294 1.00 0.00 H new ATOM 1087 N TYR A 76 34.338 1.694 -22.033 1.00 0.00 N ATOM 1088 CA TYR A 76 34.029 1.086 -20.711 1.00 0.00 C ATOM 1089 C TYR A 76 34.989 -0.059 -20.456 1.00 0.00 C ATOM 1090 O TYR A 76 35.540 -0.191 -19.388 1.00 0.00 O ATOM 1091 CB TYR A 76 32.594 0.548 -20.734 1.00 0.00 C ATOM 1092 CG TYR A 76 32.345 -0.319 -19.542 1.00 0.00 C ATOM 1093 CD1 TYR A 76 31.877 0.254 -18.391 1.00 0.00 C ATOM 1094 CD2 TYR A 76 32.579 -1.686 -19.595 1.00 0.00 C ATOM 1095 CE1 TYR A 76 31.634 -0.516 -17.272 1.00 0.00 C ATOM 1096 CE2 TYR A 76 32.334 -2.480 -18.470 1.00 0.00 C ATOM 1097 CZ TYR A 76 31.858 -1.890 -17.302 1.00 0.00 C ATOM 1098 OH TYR A 76 31.617 -2.660 -16.182 1.00 0.00 O ATOM 0 H TYR A 76 33.584 1.624 -22.717 1.00 0.00 H new ATOM 0 HA TYR A 76 34.131 1.833 -19.924 1.00 0.00 H new ATOM 0 HB2 TYR A 76 31.887 1.378 -20.742 1.00 0.00 H new ATOM 0 HB3 TYR A 76 32.427 -0.022 -21.648 1.00 0.00 H new ATOM 0 HD1 TYR A 76 31.696 1.318 -18.358 1.00 0.00 H new ATOM 0 HD2 TYR A 76 32.950 -2.136 -20.504 1.00 0.00 H new ATOM 0 HE1 TYR A 76 31.268 -0.051 -16.369 1.00 0.00 H new ATOM 0 HE2 TYR A 76 32.513 -3.544 -18.507 1.00 0.00 H new ATOM 0 HH TYR A 76 31.597 -3.607 -16.434 1.00 0.00 H new ATOM 1108 N VAL A 77 35.193 -0.890 -21.433 1.00 0.00 N ATOM 1109 CA VAL A 77 36.126 -2.020 -21.243 1.00 0.00 C ATOM 1110 C VAL A 77 37.538 -1.459 -21.093 1.00 0.00 C ATOM 1111 O VAL A 77 38.389 -2.046 -20.450 1.00 0.00 O ATOM 1112 CB VAL A 77 36.060 -2.956 -22.454 1.00 0.00 C ATOM 1113 CG1 VAL A 77 37.144 -4.028 -22.334 1.00 0.00 C ATOM 1114 CG2 VAL A 77 34.684 -3.623 -22.505 1.00 0.00 C ATOM 0 H VAL A 77 34.754 -0.834 -22.352 1.00 0.00 H new ATOM 0 HA VAL A 77 35.854 -2.586 -20.352 1.00 0.00 H new ATOM 0 HB VAL A 77 36.221 -2.382 -23.366 1.00 0.00 H new ATOM 0 HG11 VAL A 77 37.095 -4.693 -23.196 1.00 0.00 H new ATOM 0 HG12 VAL A 77 38.124 -3.552 -22.298 1.00 0.00 H new ATOM 0 HG13 VAL A 77 36.986 -4.604 -21.422 1.00 0.00 H new ATOM 0 HG21 VAL A 77 34.634 -4.290 -23.366 1.00 0.00 H new ATOM 0 HG22 VAL A 77 34.524 -4.197 -21.592 1.00 0.00 H new ATOM 0 HG23 VAL A 77 33.912 -2.858 -22.593 1.00 0.00 H new ATOM 1124 N LEU A 78 37.789 -0.314 -21.672 1.00 0.00 N ATOM 1125 CA LEU A 78 39.142 0.291 -21.554 1.00 0.00 C ATOM 1126 C LEU A 78 39.256 1.014 -20.208 1.00 0.00 C ATOM 1127 O LEU A 78 40.316 1.462 -19.818 1.00 0.00 O ATOM 1128 CB LEU A 78 39.357 1.293 -22.696 1.00 0.00 C ATOM 1129 CG LEU A 78 38.583 0.848 -23.947 1.00 0.00 C ATOM 1130 CD1 LEU A 78 39.135 1.582 -25.170 1.00 0.00 C ATOM 1131 CD2 LEU A 78 38.735 -0.661 -24.150 1.00 0.00 C ATOM 0 H LEU A 78 37.117 0.224 -22.219 1.00 0.00 H new ATOM 0 HA LEU A 78 39.899 -0.491 -21.614 1.00 0.00 H new ATOM 0 HB2 LEU A 78 39.024 2.284 -22.387 1.00 0.00 H new ATOM 0 HB3 LEU A 78 40.420 1.371 -22.926 1.00 0.00 H new ATOM 0 HG LEU A 78 37.527 1.085 -23.817 1.00 0.00 H new ATOM 0 HD11 LEU A 78 38.588 1.269 -26.060 1.00 0.00 H new ATOM 0 HD12 LEU A 78 39.019 2.657 -25.032 1.00 0.00 H new ATOM 0 HD13 LEU A 78 40.192 1.344 -25.291 1.00 0.00 H new ATOM 0 HD21 LEU A 78 38.183 -0.966 -25.039 1.00 0.00 H new ATOM 0 HD22 LEU A 78 39.789 -0.907 -24.276 1.00 0.00 H new ATOM 0 HD23 LEU A 78 38.341 -1.187 -23.280 1.00 0.00 H new ATOM 1143 N ASP A 79 38.163 1.150 -19.506 1.00 0.00 N ATOM 1144 CA ASP A 79 38.177 1.854 -18.210 1.00 0.00 C ATOM 1145 C ASP A 79 38.202 0.839 -17.074 1.00 0.00 C ATOM 1146 O ASP A 79 38.765 1.062 -16.020 1.00 0.00 O ATOM 1147 CB ASP A 79 36.890 2.662 -18.109 1.00 0.00 C ATOM 1148 CG ASP A 79 37.146 3.951 -17.327 1.00 0.00 C ATOM 1149 OD1 ASP A 79 37.403 3.859 -16.138 1.00 0.00 O ATOM 1150 OD2 ASP A 79 37.079 5.010 -17.930 1.00 0.00 O ATOM 0 H ASP A 79 37.250 0.794 -19.789 1.00 0.00 H new ATOM 0 HA ASP A 79 39.055 2.496 -18.140 1.00 0.00 H new ATOM 0 HB2 ASP A 79 36.520 2.899 -19.106 1.00 0.00 H new ATOM 0 HB3 ASP A 79 36.118 2.073 -17.614 1.00 0.00 H new ATOM 1155 N GLN A 80 37.563 -0.269 -17.290 1.00 0.00 N ATOM 1156 CA GLN A 80 37.487 -1.329 -16.255 1.00 0.00 C ATOM 1157 C GLN A 80 38.799 -2.103 -16.194 1.00 0.00 C ATOM 1158 O GLN A 80 39.253 -2.490 -15.136 1.00 0.00 O ATOM 1159 CB GLN A 80 36.367 -2.288 -16.639 1.00 0.00 C ATOM 1160 CG GLN A 80 35.095 -1.504 -16.951 1.00 0.00 C ATOM 1161 CD GLN A 80 34.234 -1.406 -15.690 1.00 0.00 C ATOM 1162 OE1 GLN A 80 33.617 -0.288 -15.421 1.00 0.00 O flip ATOM 1163 NE2 GLN A 80 34.122 -2.357 -14.943 1.00 0.00 N flip ATOM 0 H GLN A 80 37.079 -0.490 -18.160 1.00 0.00 H new ATOM 0 HA GLN A 80 37.298 -0.877 -15.281 1.00 0.00 H new ATOM 0 HB2 GLN A 80 36.663 -2.878 -17.507 1.00 0.00 H new ATOM 0 HB3 GLN A 80 36.182 -2.989 -15.825 1.00 0.00 H new ATOM 0 HG2 GLN A 80 35.349 -0.506 -17.309 1.00 0.00 H new ATOM 0 HG3 GLN A 80 34.537 -1.997 -17.748 1.00 0.00 H new ATOM 0 HE21 GLN A 80 34.604 -3.231 -15.154 1.00 0.00 H new ATOM 0 HE22 GLN A 80 33.545 -2.282 -14.105 1.00 0.00 H new ATOM 1172 N ALA A 81 39.406 -2.350 -17.318 1.00 0.00 N ATOM 1173 CA ALA A 81 40.680 -3.119 -17.309 1.00 0.00 C ATOM 1174 C ALA A 81 41.797 -2.250 -16.737 1.00 0.00 C ATOM 1175 O ALA A 81 42.848 -2.737 -16.365 1.00 0.00 O ATOM 1176 CB ALA A 81 41.035 -3.532 -18.734 1.00 0.00 C ATOM 0 H ALA A 81 39.079 -2.055 -18.238 1.00 0.00 H new ATOM 0 HA ALA A 81 40.562 -4.009 -16.692 1.00 0.00 H new ATOM 0 HB1 ALA A 81 41.968 -4.095 -18.728 1.00 0.00 H new ATOM 0 HB2 ALA A 81 40.238 -4.154 -19.142 1.00 0.00 H new ATOM 0 HB3 ALA A 81 41.153 -2.642 -19.352 1.00 0.00 H new ATOM 1182 N ALA A 82 41.591 -0.967 -16.687 1.00 0.00 N ATOM 1183 CA ALA A 82 42.643 -0.068 -16.168 1.00 0.00 C ATOM 1184 C ALA A 82 42.513 0.116 -14.653 1.00 0.00 C ATOM 1185 O ALA A 82 43.168 0.962 -14.078 1.00 0.00 O ATOM 1186 CB ALA A 82 42.521 1.296 -16.848 1.00 0.00 C ATOM 0 H ALA A 82 40.733 -0.504 -16.986 1.00 0.00 H new ATOM 0 HA ALA A 82 43.614 -0.515 -16.382 1.00 0.00 H new ATOM 0 HB1 ALA A 82 43.295 1.963 -16.468 1.00 0.00 H new ATOM 0 HB2 ALA A 82 42.641 1.178 -17.925 1.00 0.00 H new ATOM 0 HB3 ALA A 82 41.540 1.722 -16.636 1.00 0.00 H new ATOM 1192 N LYS A 83 41.682 -0.645 -13.985 1.00 0.00 N ATOM 1193 CA LYS A 83 41.573 -0.437 -12.512 1.00 0.00 C ATOM 1194 C LYS A 83 40.887 -1.603 -11.800 1.00 0.00 C ATOM 1195 O LYS A 83 40.160 -1.404 -10.848 1.00 0.00 O ATOM 1196 CB LYS A 83 40.785 0.845 -12.243 1.00 0.00 C ATOM 1197 CG LYS A 83 39.320 0.638 -12.628 1.00 0.00 C ATOM 1198 CD LYS A 83 38.819 1.857 -13.405 1.00 0.00 C ATOM 1199 CE LYS A 83 38.835 3.086 -12.491 1.00 0.00 C ATOM 1200 NZ LYS A 83 37.562 3.146 -11.717 1.00 0.00 N ATOM 0 H LYS A 83 41.093 -1.378 -14.381 1.00 0.00 H new ATOM 0 HA LYS A 83 42.587 -0.365 -12.119 1.00 0.00 H new ATOM 0 HB2 LYS A 83 40.860 1.115 -11.190 1.00 0.00 H new ATOM 0 HB3 LYS A 83 41.208 1.671 -12.815 1.00 0.00 H new ATOM 0 HG2 LYS A 83 39.216 -0.261 -13.235 1.00 0.00 H new ATOM 0 HG3 LYS A 83 38.715 0.490 -11.733 1.00 0.00 H new ATOM 0 HD2 LYS A 83 39.450 2.030 -14.277 1.00 0.00 H new ATOM 0 HD3 LYS A 83 37.809 1.677 -13.773 1.00 0.00 H new ATOM 0 HE2 LYS A 83 39.685 3.035 -11.810 1.00 0.00 H new ATOM 0 HE3 LYS A 83 38.955 3.992 -13.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 37.572 3.980 -11.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 36.759 3.213 -12.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 37.466 2.286 -11.140 1.00 0.00 H new ATOM 1214 N GLY A 84 41.121 -2.814 -12.211 1.00 0.00 N ATOM 1215 CA GLY A 84 40.485 -3.945 -11.499 1.00 0.00 C ATOM 1216 C GLY A 84 39.089 -4.179 -12.050 1.00 0.00 C ATOM 1217 O GLY A 84 38.106 -3.833 -11.431 1.00 0.00 O ATOM 0 H GLY A 84 41.718 -3.066 -12.999 1.00 0.00 H new ATOM 0 HA2 GLY A 84 41.088 -4.846 -11.616 1.00 0.00 H new ATOM 0 HA3 GLY A 84 40.434 -3.732 -10.431 1.00 0.00 H new ATOM 1221 N TRP A 85 39.016 -4.793 -13.195 1.00 0.00 N ATOM 1222 CA TRP A 85 37.693 -5.113 -13.822 1.00 0.00 C ATOM 1223 C TRP A 85 36.691 -5.477 -12.724 1.00 0.00 C ATOM 1224 O TRP A 85 36.574 -6.618 -12.323 1.00 0.00 O ATOM 1225 CB TRP A 85 37.836 -6.309 -14.775 1.00 0.00 C ATOM 1226 CG TRP A 85 37.767 -5.852 -16.189 1.00 0.00 C ATOM 1227 CD1 TRP A 85 38.785 -5.886 -17.080 1.00 0.00 C ATOM 1228 CD2 TRP A 85 36.629 -5.303 -16.889 1.00 0.00 C ATOM 1229 NE1 TRP A 85 38.331 -5.383 -18.287 1.00 0.00 N ATOM 1230 CE2 TRP A 85 37.007 -5.011 -18.216 1.00 0.00 C ATOM 1231 CE3 TRP A 85 35.319 -5.032 -16.495 1.00 0.00 C ATOM 1232 CZ2 TRP A 85 36.106 -4.466 -19.125 1.00 0.00 C ATOM 1233 CZ3 TRP A 85 34.406 -4.477 -17.403 1.00 0.00 C ATOM 1234 CH2 TRP A 85 34.795 -4.195 -18.718 1.00 0.00 C ATOM 0 H TRP A 85 39.826 -5.094 -13.736 1.00 0.00 H new ATOM 0 HA TRP A 85 37.345 -4.244 -14.380 1.00 0.00 H new ATOM 0 HB2 TRP A 85 38.784 -6.815 -14.595 1.00 0.00 H new ATOM 0 HB3 TRP A 85 37.046 -7.034 -14.581 1.00 0.00 H new ATOM 0 HD1 TRP A 85 39.784 -6.245 -16.882 1.00 0.00 H new ATOM 0 HE1 TRP A 85 38.906 -5.298 -19.125 1.00 0.00 H new ATOM 0 HE3 TRP A 85 35.006 -5.251 -15.485 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 36.416 -4.254 -20.137 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 33.396 -4.266 -17.086 1.00 0.00 H new ATOM 0 HH2 TRP A 85 34.087 -3.771 -19.414 1.00 0.00 H new ATOM 1245 N ALA A 86 35.985 -4.505 -12.228 1.00 0.00 N ATOM 1246 CA ALA A 86 35.001 -4.760 -11.145 1.00 0.00 C ATOM 1247 C ALA A 86 33.937 -5.740 -11.632 1.00 0.00 C ATOM 1248 O ALA A 86 33.575 -6.673 -10.942 1.00 0.00 O ATOM 1249 CB ALA A 86 34.333 -3.442 -10.745 1.00 0.00 C ATOM 0 H ALA A 86 36.048 -3.533 -12.530 1.00 0.00 H new ATOM 0 HA ALA A 86 35.516 -5.187 -10.285 1.00 0.00 H new ATOM 0 HB1 ALA A 86 33.610 -3.627 -9.950 1.00 0.00 H new ATOM 0 HB2 ALA A 86 35.091 -2.743 -10.391 1.00 0.00 H new ATOM 0 HB3 ALA A 86 33.822 -3.017 -11.608 1.00 0.00 H new ATOM 1255 N GLY A 87 33.433 -5.534 -12.815 1.00 0.00 N ATOM 1256 CA GLY A 87 32.388 -6.448 -13.351 1.00 0.00 C ATOM 1257 C GLY A 87 31.367 -6.758 -12.255 1.00 0.00 C ATOM 1258 O GLY A 87 31.131 -5.889 -11.430 1.00 0.00 O ATOM 1259 OXT GLY A 87 30.839 -7.857 -12.257 1.00 0.00 O ATOM 0 H GLY A 87 33.700 -4.770 -13.436 1.00 0.00 H new ATOM 0 HA2 GLY A 87 31.891 -5.988 -14.205 1.00 0.00 H new ATOM 0 HA3 GLY A 87 32.846 -7.371 -13.707 1.00 0.00 H new TER 1263 GLY A 87 HETATM 1264 FE HEC A 88 32.218 -9.793 -27.238 1.00 0.00 FE HETATM 1265 CHA HEC A 88 35.088 -10.434 -28.856 1.00 0.00 C HETATM 1266 CHB HEC A 88 33.398 -6.750 -26.359 1.00 0.00 C HETATM 1267 CHC HEC A 88 29.190 -9.041 -25.971 1.00 0.00 C HETATM 1268 CHD HEC A 88 31.164 -12.927 -27.871 1.00 0.00 C HETATM 1269 NA HEC A 88 33.866 -8.809 -27.551 1.00 0.00 N HETATM 1270 C1A HEC A 88 34.949 -9.209 -28.277 1.00 0.00 C HETATM 1271 C2A HEC A 88 35.974 -8.224 -28.286 1.00 0.00 C HETATM 1272 C3A HEC A 88 35.540 -7.198 -27.532 1.00 0.00 C HETATM 1273 C4A HEC A 88 34.220 -7.567 -27.087 1.00 0.00 C HETATM 1274 CMA HEC A 88 36.285 -5.949 -27.192 1.00 0.00 C HETATM 1275 CAA HEC A 88 37.268 -8.340 -28.990 1.00 0.00 C HETATM 1276 CBA HEC A 88 38.465 -8.189 -28.057 1.00 0.00 C HETATM 1277 CGA HEC A 88 38.052 -8.428 -26.609 1.00 0.00 C HETATM 1278 O1A HEC A 88 38.307 -7.526 -25.773 1.00 0.00 O HETATM 1279 O2A HEC A 88 37.478 -9.513 -26.325 1.00 0.00 O HETATM 1280 NB HEC A 88 31.458 -8.234 -26.352 1.00 0.00 N HETATM 1281 C1B HEC A 88 32.091 -7.058 -26.013 1.00 0.00 C HETATM 1282 C2B HEC A 88 31.187 -6.163 -25.332 1.00 0.00 C HETATM 1283 C3B HEC A 88 29.989 -6.794 -25.293 1.00 0.00 C HETATM 1284 C4B HEC A 88 30.170 -8.071 -25.910 1.00 0.00 C HETATM 1285 CMB HEC A 88 31.527 -4.848 -24.713 1.00 0.00 C HETATM 1286 CAB HEC A 88 28.693 -6.208 -24.896 1.00 0.00 C HETATM 1287 CBB HEC A 88 28.289 -5.111 -25.873 1.00 0.00 C HETATM 1288 NC HEC A 88 30.554 -10.769 -26.970 1.00 0.00 N HETATM 1289 C1C HEC A 88 29.375 -10.308 -26.456 1.00 0.00 C HETATM 1290 C2C HEC A 88 28.372 -11.343 -26.433 1.00 0.00 C HETATM 1291 C3C HEC A 88 28.961 -12.453 -26.937 1.00 0.00 C HETATM 1292 C4C HEC A 88 30.295 -12.080 -27.265 1.00 0.00 C HETATM 1293 CMC HEC A 88 26.971 -11.214 -25.937 1.00 0.00 C HETATM 1294 CAC HEC A 88 28.490 -13.851 -26.779 1.00 0.00 C HETATM 1295 CBC HEC A 88 28.596 -14.623 -28.094 1.00 0.00 C HETATM 1296 ND HEC A 88 32.972 -11.347 -28.147 1.00 0.00 N HETATM 1297 C1D HEC A 88 32.420 -12.592 -28.296 1.00 0.00 C HETATM 1298 C2D HEC A 88 33.293 -13.473 -29.033 1.00 0.00 C HETATM 1299 C3D HEC A 88 34.385 -12.741 -29.344 1.00 0.00 C HETATM 1300 C4D HEC A 88 34.174 -11.439 -28.789 1.00 0.00 C HETATM 1301 CMD HEC A 88 33.026 -14.896 -29.383 1.00 0.00 C HETATM 1302 CAD HEC A 88 35.567 -13.162 -30.141 1.00 0.00 C HETATM 1303 CBD HEC A 88 35.261 -13.129 -31.638 1.00 0.00 C HETATM 1304 CGD HEC A 88 35.893 -11.874 -32.223 1.00 0.00 C HETATM 1305 O1D HEC A 88 35.160 -10.863 -32.381 1.00 0.00 O HETATM 1306 O2D HEC A 88 37.117 -11.912 -32.520 1.00 0.00 O HETATM 0 HMD3 HEC A 88 32.887 -15.475 -28.470 1.00 0.00 H new HETATM 0 HMD2 HEC A 88 32.124 -14.958 -29.992 1.00 0.00 H new HETATM 0 HMD1 HEC A 88 33.871 -15.298 -29.943 1.00 0.00 H new HETATM 0 HMC3 HEC A 88 26.982 -10.930 -24.885 1.00 0.00 H new HETATM 0 HMC2 HEC A 88 26.450 -10.450 -26.514 1.00 0.00 H new HETATM 0 HMC1 HEC A 88 26.456 -12.168 -26.050 1.00 0.00 H new HETATM 0 HMB3 HEC A 88 32.276 -4.995 -23.935 1.00 0.00 H new HETATM 0 HMB2 HEC A 88 31.923 -4.178 -25.476 1.00 0.00 H new HETATM 0 HMB1 HEC A 88 30.630 -4.409 -24.275 1.00 0.00 H new HETATM 0 HMA3 HEC A 88 37.199 -6.205 -26.656 1.00 0.00 H new HETATM 0 HMA2 HEC A 88 36.539 -5.416 -28.108 1.00 0.00 H new HETATM 0 HMA1 HEC A 88 35.661 -5.313 -26.564 1.00 0.00 H new HETATM 0 HBD2 HEC A 88 35.658 -14.018 -32.127 1.00 0.00 H new HETATM 0 HBD1 HEC A 88 34.184 -13.127 -31.806 1.00 0.00 H new HETATM 0 HBC3 HEC A 88 27.985 -14.135 -28.853 1.00 0.00 H new HETATM 0 HBC2 HEC A 88 29.635 -14.642 -28.422 1.00 0.00 H new HETATM 0 HBC1 HEC A 88 28.244 -15.644 -27.946 1.00 0.00 H new HETATM 0 HBB3 HEC A 88 29.048 -4.329 -25.876 1.00 0.00 H new HETATM 0 HBB2 HEC A 88 28.198 -5.531 -26.875 1.00 0.00 H new HETATM 0 HBB1 HEC A 88 27.332 -4.687 -25.569 1.00 0.00 H new HETATM 0 HBA2 HEC A 88 39.244 -8.897 -28.340 1.00 0.00 H new HETATM 0 HBA1 HEC A 88 38.889 -7.190 -28.160 1.00 0.00 H new HETATM 0 HAD2 HEC A 88 36.409 -12.504 -29.924 1.00 0.00 H new HETATM 0 HAD1 HEC A 88 35.866 -14.169 -29.850 1.00 0.00 H new HETATM 0 HAA2 HEC A 88 37.320 -9.309 -29.487 1.00 0.00 H new HETATM 0 HAA1 HEC A 88 37.322 -7.579 -29.769 1.00 0.00 H new HETATM 0 HHD HEC A 88 30.836 -13.954 -28.032 1.00 0.00 H new HETATM 0 HHC HEC A 88 28.197 -8.779 -25.607 1.00 0.00 H new HETATM 0 HHB HEC A 88 33.798 -5.791 -26.029 1.00 0.00 H new HETATM 0 HHA HEC A 88 36.003 -10.624 -29.417 1.00 0.00 H new HETATM 0 H2D HEC A 88 37.220 -12.221 -33.444 1.00 0.00 H new HETATM 0 H2A HEC A 88 37.848 -9.870 -25.491 1.00 0.00 H new