USER MOD reduce.3.24.130724 H: found=0, std=0, add=1058, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1062 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 39 MET CE :methyl 135:sc= -7.91! (180deg=-15.6!) USER MOD Set 1.2: B 59 MET CE :methyl -141:sc= -18.8! (180deg=-21.3!) USER MOD Set 2.1: A 39 MET CE :methyl 135:sc= -7.94! (180deg=-15.6!) USER MOD Set 2.2: A 59 MET CE :methyl -146:sc= -19! (180deg=-21.6!) USER MOD Single : A 4 THR OG1 : rot -126:sc= -1.29 USER MOD Single : A 6 THR OG1 : rot -150:sc= -0.0356 USER MOD Single : A 9 CYS SG : rot -51:sc= -5.64! USER MOD Single : A 12 SER OG : rot 140:sc= -2.14 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 170:sc= 0.617 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc=-0.00825 X(o=-0.0083,f=-0.013) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -14:sc= 0.451 USER MOD Single : A 60 MET CE :methyl -153:sc= -11.2! (180deg=-13.2!) USER MOD Single : A 70 GLN :FLIP amide:sc= -3.19! C(o=-5.6!,f=-3.2!) USER MOD Single : A 74 GLN :FLIP amide:sc= -1.36 F(o=-3.1!,f=-1.4) USER MOD Single : A 78 ASN :FLIP amide:sc= -0.462 F(o=-1.9,f=-0.46) USER MOD Single : A 87 CYS SG : rot 160:sc= -0.247 USER MOD Single : A 88 HIS : no HD1:sc= -5.54! C(o=-5.5!,f=-7.9!) USER MOD Single : A 90 SER OG : rot 47:sc= 0.563 USER MOD Single : B 4 THR OG1 : rot -110:sc= -1.29 USER MOD Single : B 6 THR OG1 : rot -150:sc= -0.0338 USER MOD Single : B 9 CYS SG : rot -52:sc= -5.69! USER MOD Single : B 12 SER OG : rot 140:sc= -2.11 USER MOD Single : B 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 20 TYR OH : rot 180:sc= 0 USER MOD Single : B 29 THR OG1 : rot 180:sc= 0 USER MOD Single : B 31 SER OG : rot 170:sc= 0.749 USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 THR OG1 : rot 180:sc= 0 USER MOD Single : B 37 SER OG : rot 180:sc= 0 USER MOD Single : B 40 ASN : amide:sc= 0.00746 X(o=0.0075,f=-0.015) USER MOD Single : B 41 THR OG1 : rot 180:sc= 0 USER MOD Single : B 47 THR OG1 : rot -20:sc= 0.404 USER MOD Single : B 60 MET CE :methyl -155:sc= -11.5! (180deg=-13.3!) USER MOD Single : B 70 GLN :FLIP amide:sc= -3.15! C(o=-5.6!,f=-3.1!) USER MOD Single : B 74 GLN :FLIP amide:sc= -1.36 F(o=-3!,f=-1.4) USER MOD Single : B 78 ASN :FLIP amide:sc= -0.455 F(o=-1.9,f=-0.46) USER MOD Single : B 87 CYS SG : rot 160:sc= -0.246 USER MOD Single : B 88 HIS : no HD1:sc= -5.56! C(o=-5.6!,f=-8!) USER MOD Single : B 90 SER OG : rot 46:sc= 0.532 USER MOD ----------------------------------------------------------------- ATOM 51 N THR A 4 8.001 -4.260 15.412 1.00 0.00 N ATOM 52 CA THR A 4 8.424 -2.957 14.911 1.00 0.00 C ATOM 53 C THR A 4 7.247 -2.174 14.353 1.00 0.00 C ATOM 54 O THR A 4 6.307 -2.740 13.795 1.00 0.00 O ATOM 55 CB THR A 4 9.518 -3.109 13.846 1.00 0.00 C ATOM 56 OG1 THR A 4 9.571 -1.965 13.014 1.00 0.00 O ATOM 57 CG2 THR A 4 9.337 -4.317 12.950 1.00 0.00 C ATOM 0 HA THR A 4 8.836 -2.398 15.752 1.00 0.00 H new ATOM 0 HB THR A 4 10.442 -3.237 14.410 1.00 0.00 H new ATOM 0 HG1 THR A 4 9.496 -2.239 12.076 1.00 0.00 H new ATOM 0 HG21 THR A 4 10.149 -4.356 12.224 1.00 0.00 H new ATOM 0 HG22 THR A 4 9.347 -5.224 13.555 1.00 0.00 H new ATOM 0 HG23 THR A 4 8.384 -4.242 12.426 1.00 0.00 H new ATOM 65 N GLU A 5 7.315 -0.860 14.517 1.00 0.00 N ATOM 66 CA GLU A 5 6.275 0.041 14.046 1.00 0.00 C ATOM 67 C GLU A 5 5.831 -0.315 12.631 1.00 0.00 C ATOM 68 O GLU A 5 4.637 -0.346 12.333 1.00 0.00 O ATOM 69 CB GLU A 5 6.799 1.471 14.096 1.00 0.00 C ATOM 70 CG GLU A 5 5.783 2.480 14.606 1.00 0.00 C ATOM 71 CD GLU A 5 6.431 3.657 15.307 1.00 0.00 C ATOM 72 OE1 GLU A 5 7.104 4.458 14.623 1.00 0.00 O ATOM 73 OE2 GLU A 5 6.264 3.780 16.539 1.00 0.00 O ATOM 0 H GLU A 5 8.093 -0.390 14.980 1.00 0.00 H new ATOM 0 HA GLU A 5 5.404 -0.056 14.694 1.00 0.00 H new ATOM 0 HB2 GLU A 5 7.681 1.503 14.736 1.00 0.00 H new ATOM 0 HB3 GLU A 5 7.119 1.766 13.097 1.00 0.00 H new ATOM 0 HG2 GLU A 5 5.186 2.844 13.769 1.00 0.00 H new ATOM 0 HG3 GLU A 5 5.098 1.984 15.294 1.00 0.00 H new ATOM 80 N THR A 6 6.799 -0.594 11.764 1.00 0.00 N ATOM 81 CA THR A 6 6.503 -0.961 10.386 1.00 0.00 C ATOM 82 C THR A 6 5.833 -2.330 10.336 1.00 0.00 C ATOM 83 O THR A 6 4.920 -2.557 9.548 1.00 0.00 O ATOM 84 CB THR A 6 7.784 -0.973 9.549 1.00 0.00 C ATOM 85 OG1 THR A 6 8.668 0.050 9.972 1.00 0.00 O ATOM 86 CG2 THR A 6 7.537 -0.779 8.067 1.00 0.00 C ATOM 0 H THR A 6 7.793 -0.573 11.992 1.00 0.00 H new ATOM 0 HA THR A 6 5.821 -0.219 9.970 1.00 0.00 H new ATOM 0 HB THR A 6 8.217 -1.961 9.702 1.00 0.00 H new ATOM 0 HG1 THR A 6 9.207 0.352 9.211 1.00 0.00 H new ATOM 0 HG21 THR A 6 8.488 -0.798 7.534 1.00 0.00 H new ATOM 0 HG22 THR A 6 6.897 -1.580 7.697 1.00 0.00 H new ATOM 0 HG23 THR A 6 7.048 0.181 7.902 1.00 0.00 H new ATOM 94 N GLU A 7 6.285 -3.239 11.194 1.00 0.00 N ATOM 95 CA GLU A 7 5.724 -4.585 11.245 1.00 0.00 C ATOM 96 C GLU A 7 4.206 -4.531 11.379 1.00 0.00 C ATOM 97 O GLU A 7 3.490 -5.345 10.795 1.00 0.00 O ATOM 98 CB GLU A 7 6.326 -5.368 12.416 1.00 0.00 C ATOM 99 CG GLU A 7 7.213 -6.524 11.984 1.00 0.00 C ATOM 100 CD GLU A 7 6.460 -7.836 11.894 1.00 0.00 C ATOM 101 OE1 GLU A 7 6.298 -8.500 12.940 1.00 0.00 O ATOM 102 OE2 GLU A 7 6.031 -8.201 10.779 1.00 0.00 O ATOM 0 H GLU A 7 7.037 -3.069 11.862 1.00 0.00 H new ATOM 0 HA GLU A 7 5.972 -5.094 10.314 1.00 0.00 H new ATOM 0 HB2 GLU A 7 6.908 -4.687 13.036 1.00 0.00 H new ATOM 0 HB3 GLU A 7 5.518 -5.754 13.038 1.00 0.00 H new ATOM 0 HG2 GLU A 7 7.654 -6.295 11.014 1.00 0.00 H new ATOM 0 HG3 GLU A 7 8.036 -6.630 12.691 1.00 0.00 H new ATOM 109 N ARG A 8 3.722 -3.560 12.143 1.00 0.00 N ATOM 110 CA ARG A 8 2.290 -3.390 12.344 1.00 0.00 C ATOM 111 C ARG A 8 1.654 -2.684 11.148 1.00 0.00 C ATOM 112 O ARG A 8 0.467 -2.856 10.875 1.00 0.00 O ATOM 113 CB ARG A 8 2.023 -2.593 13.622 1.00 0.00 C ATOM 114 CG ARG A 8 2.129 -3.425 14.890 1.00 0.00 C ATOM 115 CD ARG A 8 3.519 -3.339 15.501 1.00 0.00 C ATOM 116 NE ARG A 8 3.472 -3.018 16.925 1.00 0.00 N ATOM 117 CZ ARG A 8 3.067 -3.870 17.864 1.00 0.00 C ATOM 118 NH1 ARG A 8 2.672 -5.094 17.534 1.00 0.00 N ATOM 119 NH2 ARG A 8 3.057 -3.497 19.136 1.00 0.00 N ATOM 0 H ARG A 8 4.301 -2.878 12.634 1.00 0.00 H new ATOM 0 HA ARG A 8 1.842 -4.379 12.442 1.00 0.00 H new ATOM 0 HB2 ARG A 8 2.731 -1.766 13.679 1.00 0.00 H new ATOM 0 HB3 ARG A 8 1.026 -2.156 13.566 1.00 0.00 H new ATOM 0 HG2 ARG A 8 1.391 -3.081 15.614 1.00 0.00 H new ATOM 0 HG3 ARG A 8 1.894 -4.465 14.664 1.00 0.00 H new ATOM 0 HD2 ARG A 8 4.036 -4.288 15.360 1.00 0.00 H new ATOM 0 HD3 ARG A 8 4.099 -2.579 14.977 1.00 0.00 H new ATOM 0 HE ARG A 8 3.767 -2.086 17.217 1.00 0.00 H new ATOM 0 HH11 ARG A 8 2.678 -5.386 16.557 1.00 0.00 H new ATOM 0 HH12 ARG A 8 2.363 -5.743 18.258 1.00 0.00 H new ATOM 0 HH21 ARG A 8 3.359 -2.558 19.394 1.00 0.00 H new ATOM 0 HH22 ARG A 8 2.747 -4.149 19.856 1.00 0.00 H new ATOM 132 N CYS A 9 2.449 -1.881 10.444 1.00 0.00 N ATOM 133 CA CYS A 9 1.956 -1.143 9.287 1.00 0.00 C ATOM 134 C CYS A 9 1.625 -2.082 8.126 1.00 0.00 C ATOM 135 O CYS A 9 0.561 -1.971 7.516 1.00 0.00 O ATOM 136 CB CYS A 9 2.975 -0.070 8.860 1.00 0.00 C ATOM 137 SG CYS A 9 4.223 -0.609 7.661 1.00 0.00 S ATOM 0 H CYS A 9 3.435 -1.726 10.655 1.00 0.00 H new ATOM 0 HA CYS A 9 1.031 -0.643 9.574 1.00 0.00 H new ATOM 0 HB2 CYS A 9 2.431 0.774 8.437 1.00 0.00 H new ATOM 0 HB3 CYS A 9 3.486 0.295 9.751 1.00 0.00 H new ATOM 0 HG CYS A 9 4.784 -1.704 8.081 1.00 0.00 H new ATOM 143 N ILE A 10 2.536 -3.001 7.820 1.00 0.00 N ATOM 144 CA ILE A 10 2.326 -3.939 6.728 1.00 0.00 C ATOM 145 C ILE A 10 1.096 -4.801 6.976 1.00 0.00 C ATOM 146 O ILE A 10 0.176 -4.830 6.162 1.00 0.00 O ATOM 147 CB ILE A 10 3.548 -4.859 6.539 1.00 0.00 C ATOM 148 CG1 ILE A 10 4.838 -4.041 6.507 1.00 0.00 C ATOM 149 CG2 ILE A 10 3.408 -5.676 5.266 1.00 0.00 C ATOM 150 CD1 ILE A 10 5.715 -4.248 7.717 1.00 0.00 C ATOM 0 H ILE A 10 3.422 -3.114 8.312 1.00 0.00 H new ATOM 0 HA ILE A 10 2.178 -3.347 5.825 1.00 0.00 H new ATOM 0 HB ILE A 10 3.595 -5.543 7.386 1.00 0.00 H new ATOM 0 HG12 ILE A 10 5.402 -4.302 5.611 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.586 -2.984 6.428 1.00 0.00 H new ATOM 0 HG21 ILE A 10 4.280 -6.320 5.149 1.00 0.00 H new ATOM 0 HG22 ILE A 10 2.509 -6.290 5.325 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.334 -5.006 4.410 1.00 0.00 H new ATOM 0 HD11 ILE A 10 6.612 -3.636 7.625 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.169 -3.960 8.615 1.00 0.00 H new ATOM 0 HD13 ILE A 10 5.998 -5.298 7.786 1.00 0.00 H new ATOM 162 N GLU A 11 1.085 -5.502 8.103 1.00 0.00 N ATOM 163 CA GLU A 11 -0.034 -6.369 8.454 1.00 0.00 C ATOM 164 C GLU A 11 -1.354 -5.608 8.414 1.00 0.00 C ATOM 165 O GLU A 11 -2.413 -6.194 8.186 1.00 0.00 O ATOM 166 CB GLU A 11 0.181 -6.985 9.837 1.00 0.00 C ATOM 167 CG GLU A 11 0.373 -8.493 9.800 1.00 0.00 C ATOM 168 CD GLU A 11 -0.415 -9.210 10.880 1.00 0.00 C ATOM 169 OE1 GLU A 11 -1.598 -8.864 11.080 1.00 0.00 O ATOM 170 OE2 GLU A 11 0.151 -10.117 11.525 1.00 0.00 O ATOM 0 H GLU A 11 1.839 -5.487 8.790 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.082 -7.169 7.716 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.054 -6.526 10.300 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.675 -6.750 10.469 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.069 -8.870 8.823 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.432 -8.723 9.915 1.00 0.00 H new ATOM 177 N SER A 12 -1.285 -4.304 8.646 1.00 0.00 N ATOM 178 CA SER A 12 -2.476 -3.466 8.646 1.00 0.00 C ATOM 179 C SER A 12 -3.157 -3.449 7.279 1.00 0.00 C ATOM 180 O SER A 12 -4.346 -3.737 7.170 1.00 0.00 O ATOM 181 CB SER A 12 -2.109 -2.038 9.053 1.00 0.00 C ATOM 182 OG SER A 12 -3.088 -1.486 9.917 1.00 0.00 O ATOM 0 H SER A 12 -0.417 -3.804 8.837 1.00 0.00 H new ATOM 0 HA SER A 12 -3.177 -3.889 9.366 1.00 0.00 H new ATOM 0 HB2 SER A 12 -1.139 -2.036 9.550 1.00 0.00 H new ATOM 0 HB3 SER A 12 -2.013 -1.416 8.163 1.00 0.00 H new ATOM 0 HG SER A 12 -2.647 -0.968 10.623 1.00 0.00 H new ATOM 188 N LEU A 13 -2.404 -3.084 6.245 1.00 0.00 N ATOM 189 CA LEU A 13 -2.944 -2.997 4.895 1.00 0.00 C ATOM 190 C LEU A 13 -3.242 -4.367 4.283 1.00 0.00 C ATOM 191 O LEU A 13 -4.260 -4.545 3.632 1.00 0.00 O ATOM 192 CB LEU A 13 -1.974 -2.226 4.009 1.00 0.00 C ATOM 193 CG LEU A 13 -2.235 -0.724 3.928 1.00 0.00 C ATOM 194 CD1 LEU A 13 -3.556 -0.447 3.238 1.00 0.00 C ATOM 195 CD2 LEU A 13 -2.244 -0.093 5.306 1.00 0.00 C ATOM 0 H LEU A 13 -1.416 -2.843 6.319 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.896 -2.471 4.959 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.961 -2.385 4.379 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.014 -2.642 3.002 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.425 -0.283 3.347 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.723 0.629 3.191 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.531 -0.855 2.228 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.365 -0.915 3.799 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.432 0.977 5.215 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.028 -0.549 5.910 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.278 -0.252 5.785 1.00 0.00 H new ATOM 207 N ILE A 14 -2.358 -5.329 4.479 1.00 0.00 N ATOM 208 CA ILE A 14 -2.560 -6.659 3.923 1.00 0.00 C ATOM 209 C ILE A 14 -3.871 -7.262 4.356 1.00 0.00 C ATOM 210 O ILE A 14 -4.432 -8.109 3.675 1.00 0.00 O ATOM 211 CB ILE A 14 -1.499 -7.647 4.399 1.00 0.00 C ATOM 212 CG1 ILE A 14 -0.104 -7.063 4.354 1.00 0.00 C ATOM 213 CG2 ILE A 14 -1.576 -8.902 3.574 1.00 0.00 C ATOM 214 CD1 ILE A 14 0.770 -7.653 5.421 1.00 0.00 C ATOM 0 H ILE A 14 -1.498 -5.218 5.015 1.00 0.00 H new ATOM 0 HA ILE A 14 -2.520 -6.512 2.844 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.705 -7.880 5.444 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.338 -7.248 3.375 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.156 -5.982 4.481 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.818 -9.608 3.914 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.564 -9.349 3.684 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -1.402 -8.660 2.526 1.00 0.00 H new ATOM 0 HD11 ILE A 14 1.765 -7.212 5.361 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.339 -7.445 6.400 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.842 -8.731 5.278 1.00 0.00 H new ATOM 226 N ALA A 15 -4.309 -6.870 5.525 1.00 0.00 N ATOM 227 CA ALA A 15 -5.501 -7.428 6.109 1.00 0.00 C ATOM 228 C ALA A 15 -6.759 -6.719 5.650 1.00 0.00 C ATOM 229 O ALA A 15 -7.800 -7.354 5.472 1.00 0.00 O ATOM 230 CB ALA A 15 -5.328 -7.424 7.606 1.00 0.00 C ATOM 0 H ALA A 15 -3.852 -6.159 6.096 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.635 -8.455 5.768 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.218 -7.842 8.076 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.459 -8.026 7.873 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.181 -6.401 7.953 1.00 0.00 H new ATOM 236 N VAL A 16 -6.665 -5.421 5.399 1.00 0.00 N ATOM 237 CA VAL A 16 -7.803 -4.685 4.895 1.00 0.00 C ATOM 238 C VAL A 16 -8.298 -5.382 3.634 1.00 0.00 C ATOM 239 O VAL A 16 -9.490 -5.389 3.326 1.00 0.00 O ATOM 240 CB VAL A 16 -7.418 -3.238 4.552 1.00 0.00 C ATOM 241 CG1 VAL A 16 -6.758 -2.561 5.729 1.00 0.00 C ATOM 242 CG2 VAL A 16 -6.485 -3.216 3.365 1.00 0.00 C ATOM 0 H VAL A 16 -5.820 -4.866 5.536 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.579 -4.658 5.660 1.00 0.00 H new ATOM 0 HB VAL A 16 -8.330 -2.695 4.306 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.495 -1.538 5.460 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.446 -2.549 6.574 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.856 -3.107 6.004 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.219 -2.185 3.131 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -5.582 -3.779 3.601 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.980 -3.667 2.505 1.00 0.00 H new ATOM 252 N PHE A 17 -7.344 -5.988 2.924 1.00 0.00 N ATOM 253 CA PHE A 17 -7.637 -6.721 1.698 1.00 0.00 C ATOM 254 C PHE A 17 -8.166 -8.111 2.026 1.00 0.00 C ATOM 255 O PHE A 17 -9.263 -8.475 1.620 1.00 0.00 O ATOM 256 CB PHE A 17 -6.390 -6.854 0.820 1.00 0.00 C ATOM 257 CG PHE A 17 -5.434 -5.698 0.912 1.00 0.00 C ATOM 258 CD1 PHE A 17 -5.882 -4.394 0.782 1.00 0.00 C ATOM 259 CD2 PHE A 17 -4.085 -5.921 1.123 1.00 0.00 C ATOM 260 CE1 PHE A 17 -5.000 -3.333 0.861 1.00 0.00 C ATOM 261 CE2 PHE A 17 -3.198 -4.865 1.202 1.00 0.00 C ATOM 262 CZ PHE A 17 -3.657 -3.569 1.072 1.00 0.00 C ATOM 0 H PHE A 17 -6.357 -5.983 3.182 1.00 0.00 H new ATOM 0 HA PHE A 17 -8.394 -6.158 1.151 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -5.863 -7.767 1.096 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -6.703 -6.968 -0.218 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -6.932 -4.204 0.617 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.721 -6.933 1.227 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -5.361 -2.321 0.758 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -2.147 -5.053 1.365 1.00 0.00 H new ATOM 0 HZ PHE A 17 -2.966 -2.742 1.135 1.00 0.00 H new ATOM 272 N GLN A 18 -7.369 -8.888 2.761 1.00 0.00 N ATOM 273 CA GLN A 18 -7.755 -10.253 3.132 1.00 0.00 C ATOM 274 C GLN A 18 -9.169 -10.302 3.697 1.00 0.00 C ATOM 275 O GLN A 18 -9.868 -11.302 3.545 1.00 0.00 O ATOM 276 CB GLN A 18 -6.786 -10.824 4.169 1.00 0.00 C ATOM 277 CG GLN A 18 -5.330 -10.583 3.835 1.00 0.00 C ATOM 278 CD GLN A 18 -4.734 -11.689 2.999 1.00 0.00 C ATOM 279 OE1 GLN A 18 -4.184 -12.659 3.520 1.00 0.00 O ATOM 280 NE2 GLN A 18 -4.844 -11.542 1.686 1.00 0.00 N ATOM 0 H GLN A 18 -6.456 -8.598 3.111 1.00 0.00 H new ATOM 0 HA GLN A 18 -7.719 -10.853 2.223 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -7.005 -10.382 5.141 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -6.956 -11.897 4.261 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -5.236 -9.638 3.300 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.761 -10.485 4.759 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.309 -10.719 1.302 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -4.463 -12.252 1.060 1.00 0.00 H new ATOM 289 N LYS A 19 -9.588 -9.226 4.350 1.00 0.00 N ATOM 290 CA LYS A 19 -10.923 -9.177 4.926 1.00 0.00 C ATOM 291 C LYS A 19 -11.980 -9.300 3.835 1.00 0.00 C ATOM 292 O LYS A 19 -12.868 -10.149 3.909 1.00 0.00 O ATOM 293 CB LYS A 19 -11.116 -7.871 5.699 1.00 0.00 C ATOM 294 CG LYS A 19 -12.153 -7.963 6.806 1.00 0.00 C ATOM 295 CD LYS A 19 -11.663 -8.824 7.959 1.00 0.00 C ATOM 296 CE LYS A 19 -10.713 -8.056 8.863 1.00 0.00 C ATOM 297 NZ LYS A 19 -10.163 -8.914 9.948 1.00 0.00 N ATOM 0 H LYS A 19 -9.029 -8.385 4.493 1.00 0.00 H new ATOM 0 HA LYS A 19 -11.034 -10.015 5.614 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -10.162 -7.571 6.132 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -11.411 -7.087 5.002 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -12.386 -6.963 7.171 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -13.077 -8.380 6.406 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -12.516 -9.175 8.540 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -11.159 -9.707 7.566 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -9.893 -7.652 8.269 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -11.237 -7.207 9.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -9.520 -8.353 10.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -10.943 -9.279 10.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -9.641 -9.711 9.530 1.00 0.00 H new ATOM 311 N TYR A 20 -11.858 -8.470 2.804 1.00 0.00 N ATOM 312 CA TYR A 20 -12.779 -8.507 1.677 1.00 0.00 C ATOM 313 C TYR A 20 -12.384 -9.633 0.733 1.00 0.00 C ATOM 314 O TYR A 20 -13.221 -10.247 0.071 1.00 0.00 O ATOM 315 CB TYR A 20 -12.778 -7.168 0.933 1.00 0.00 C ATOM 316 CG TYR A 20 -12.477 -5.971 1.810 1.00 0.00 C ATOM 317 CD1 TYR A 20 -12.978 -5.886 3.103 1.00 0.00 C ATOM 318 CD2 TYR A 20 -11.690 -4.926 1.341 1.00 0.00 C ATOM 319 CE1 TYR A 20 -12.703 -4.793 3.904 1.00 0.00 C ATOM 320 CE2 TYR A 20 -11.411 -3.830 2.137 1.00 0.00 C ATOM 321 CZ TYR A 20 -11.920 -3.769 3.417 1.00 0.00 C ATOM 322 OH TYR A 20 -11.644 -2.680 4.212 1.00 0.00 O ATOM 0 H TYR A 20 -11.128 -7.762 2.727 1.00 0.00 H new ATOM 0 HA TYR A 20 -13.787 -8.687 2.052 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -12.041 -7.211 0.131 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -13.751 -7.025 0.464 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -13.592 -6.686 3.489 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -11.290 -4.970 0.339 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -13.100 -4.742 4.907 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -10.798 -3.026 1.758 1.00 0.00 H new ATOM 0 HH TYR A 20 -11.079 -2.050 3.719 1.00 0.00 H new ATOM 332 N ALA A 21 -11.079 -9.862 0.673 1.00 0.00 N ATOM 333 CA ALA A 21 -10.484 -10.869 -0.186 1.00 0.00 C ATOM 334 C ALA A 21 -10.362 -12.219 0.520 1.00 0.00 C ATOM 335 O ALA A 21 -9.576 -13.073 0.112 1.00 0.00 O ATOM 336 CB ALA A 21 -9.118 -10.365 -0.631 1.00 0.00 C ATOM 0 H ALA A 21 -10.397 -9.345 1.228 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.128 -11.030 -1.051 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.650 -11.106 -1.279 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.236 -9.429 -1.177 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.489 -10.199 0.243 1.00 0.00 H new ATOM 342 N GLY A 22 -11.142 -12.406 1.582 1.00 0.00 N ATOM 343 CA GLY A 22 -11.101 -13.654 2.321 1.00 0.00 C ATOM 344 C GLY A 22 -12.291 -13.817 3.246 1.00 0.00 C ATOM 345 O GLY A 22 -13.288 -13.106 3.118 1.00 0.00 O ATOM 0 H GLY A 22 -11.801 -11.716 1.943 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -11.073 -14.488 1.619 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -10.182 -13.697 2.905 1.00 0.00 H new ATOM 419 N VAL A 28 -7.119 -15.681 -2.385 1.00 0.00 N ATOM 420 CA VAL A 28 -6.072 -15.296 -3.324 1.00 0.00 C ATOM 421 C VAL A 28 -6.406 -13.979 -4.022 1.00 0.00 C ATOM 422 O VAL A 28 -5.514 -13.274 -4.493 1.00 0.00 O ATOM 423 CB VAL A 28 -5.844 -16.390 -4.386 1.00 0.00 C ATOM 424 CG1 VAL A 28 -7.108 -16.620 -5.202 1.00 0.00 C ATOM 425 CG2 VAL A 28 -4.675 -16.024 -5.289 1.00 0.00 C ATOM 0 HA VAL A 28 -5.159 -15.167 -2.743 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.599 -17.320 -3.873 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.925 -17.396 -5.945 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.916 -16.934 -4.541 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.390 -15.695 -5.705 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.530 -16.808 -6.032 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.886 -15.081 -5.793 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.771 -15.920 -4.689 1.00 0.00 H new ATOM 435 N THR A 29 -7.693 -13.651 -4.087 1.00 0.00 N ATOM 436 CA THR A 29 -8.132 -12.419 -4.729 1.00 0.00 C ATOM 437 C THR A 29 -9.264 -11.761 -3.951 1.00 0.00 C ATOM 438 O THR A 29 -9.659 -12.228 -2.882 1.00 0.00 O ATOM 439 CB THR A 29 -8.582 -12.691 -6.163 1.00 0.00 C ATOM 440 OG1 THR A 29 -9.546 -13.727 -6.203 1.00 0.00 O ATOM 441 CG2 THR A 29 -7.446 -13.081 -7.080 1.00 0.00 C ATOM 0 H THR A 29 -8.448 -14.220 -3.704 1.00 0.00 H new ATOM 0 HA THR A 29 -7.282 -11.736 -4.744 1.00 0.00 H new ATOM 0 HB THR A 29 -9.005 -11.750 -6.515 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.821 -13.883 -7.131 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.833 -13.260 -8.083 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.712 -12.276 -7.113 1.00 0.00 H new ATOM 0 HG23 THR A 29 -6.972 -13.989 -6.706 1.00 0.00 H new ATOM 449 N LEU A 30 -9.775 -10.670 -4.503 1.00 0.00 N ATOM 450 CA LEU A 30 -10.863 -9.923 -3.882 1.00 0.00 C ATOM 451 C LEU A 30 -11.919 -9.552 -4.934 1.00 0.00 C ATOM 452 O LEU A 30 -12.375 -10.412 -5.684 1.00 0.00 O ATOM 453 CB LEU A 30 -10.298 -8.670 -3.191 1.00 0.00 C ATOM 454 CG LEU A 30 -11.115 -8.103 -2.018 1.00 0.00 C ATOM 455 CD1 LEU A 30 -10.867 -6.609 -1.879 1.00 0.00 C ATOM 456 CD2 LEU A 30 -12.608 -8.377 -2.177 1.00 0.00 C ATOM 0 H LEU A 30 -9.451 -10.279 -5.387 1.00 0.00 H new ATOM 0 HA LEU A 30 -11.348 -10.543 -3.128 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.297 -8.903 -2.828 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -10.190 -7.887 -3.941 1.00 0.00 H new ATOM 0 HG LEU A 30 -10.783 -8.610 -1.112 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -11.451 -6.219 -1.045 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.808 -6.432 -1.694 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -11.165 -6.104 -2.798 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -13.147 -7.959 -1.327 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -12.967 -7.915 -3.097 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -12.778 -9.453 -2.221 1.00 0.00 H new ATOM 468 N SER A 31 -12.298 -8.276 -4.993 1.00 0.00 N ATOM 469 CA SER A 31 -13.283 -7.809 -5.955 1.00 0.00 C ATOM 470 C SER A 31 -13.389 -6.292 -5.876 1.00 0.00 C ATOM 471 O SER A 31 -13.516 -5.728 -4.789 1.00 0.00 O ATOM 472 CB SER A 31 -14.646 -8.464 -5.689 1.00 0.00 C ATOM 473 OG SER A 31 -15.681 -7.499 -5.604 1.00 0.00 O ATOM 0 H SER A 31 -11.933 -7.547 -4.380 1.00 0.00 H new ATOM 0 HA SER A 31 -12.966 -8.090 -6.959 1.00 0.00 H new ATOM 0 HB2 SER A 31 -14.872 -9.172 -6.487 1.00 0.00 H new ATOM 0 HB3 SER A 31 -14.602 -9.034 -4.761 1.00 0.00 H new ATOM 0 HG SER A 31 -16.550 -7.951 -5.596 1.00 0.00 H new ATOM 479 N LYS A 32 -13.330 -5.630 -7.026 1.00 0.00 N ATOM 480 CA LYS A 32 -13.411 -4.175 -7.067 1.00 0.00 C ATOM 481 C LYS A 32 -14.596 -3.682 -6.254 1.00 0.00 C ATOM 482 O LYS A 32 -14.487 -2.708 -5.508 1.00 0.00 O ATOM 483 CB LYS A 32 -13.527 -3.687 -8.512 1.00 0.00 C ATOM 484 CG LYS A 32 -14.715 -4.269 -9.259 1.00 0.00 C ATOM 485 CD LYS A 32 -14.426 -4.404 -10.745 1.00 0.00 C ATOM 486 CE LYS A 32 -15.204 -5.557 -11.361 1.00 0.00 C ATOM 487 NZ LYS A 32 -14.526 -6.099 -12.571 1.00 0.00 N ATOM 0 H LYS A 32 -13.227 -6.075 -7.938 1.00 0.00 H new ATOM 0 HA LYS A 32 -12.497 -3.770 -6.632 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -13.605 -2.600 -8.514 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -12.612 -3.942 -9.047 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -14.963 -5.246 -8.845 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -15.586 -3.631 -9.113 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -14.686 -3.475 -11.253 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -13.358 -4.562 -10.896 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -15.321 -6.351 -10.624 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -16.206 -5.219 -11.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -15.087 -6.883 -12.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -14.437 -5.348 -13.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -13.580 -6.445 -12.313 1.00 0.00 H new ATOM 501 N THR A 33 -15.724 -4.362 -6.391 1.00 0.00 N ATOM 502 CA THR A 33 -16.912 -3.993 -5.660 1.00 0.00 C ATOM 503 C THR A 33 -16.810 -4.407 -4.200 1.00 0.00 C ATOM 504 O THR A 33 -17.165 -3.641 -3.309 1.00 0.00 O ATOM 505 CB THR A 33 -18.142 -4.597 -6.311 1.00 0.00 C ATOM 506 OG1 THR A 33 -18.556 -3.825 -7.424 1.00 0.00 O ATOM 507 CG2 THR A 33 -19.306 -4.706 -5.366 1.00 0.00 C ATOM 0 H THR A 33 -15.835 -5.171 -7.003 1.00 0.00 H new ATOM 0 HA THR A 33 -17.005 -2.907 -5.688 1.00 0.00 H new ATOM 0 HB THR A 33 -17.848 -5.599 -6.624 1.00 0.00 H new ATOM 0 HG1 THR A 33 -19.349 -4.234 -7.829 1.00 0.00 H new ATOM 0 HG21 THR A 33 -20.157 -5.145 -5.886 1.00 0.00 H new ATOM 0 HG22 THR A 33 -19.031 -5.339 -4.522 1.00 0.00 H new ATOM 0 HG23 THR A 33 -19.574 -3.714 -5.003 1.00 0.00 H new ATOM 515 N GLU A 34 -16.316 -5.616 -3.952 1.00 0.00 N ATOM 516 CA GLU A 34 -16.171 -6.090 -2.584 1.00 0.00 C ATOM 517 C GLU A 34 -15.337 -5.091 -1.798 1.00 0.00 C ATOM 518 O GLU A 34 -15.508 -4.927 -0.591 1.00 0.00 O ATOM 519 CB GLU A 34 -15.512 -7.470 -2.556 1.00 0.00 C ATOM 520 CG GLU A 34 -16.507 -8.618 -2.565 1.00 0.00 C ATOM 521 CD GLU A 34 -16.022 -9.816 -1.773 1.00 0.00 C ATOM 522 OE1 GLU A 34 -15.706 -9.648 -0.576 1.00 0.00 O ATOM 523 OE2 GLU A 34 -15.959 -10.922 -2.348 1.00 0.00 O ATOM 0 H GLU A 34 -16.014 -6.275 -4.670 1.00 0.00 H new ATOM 0 HA GLU A 34 -17.158 -6.180 -2.130 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -14.851 -7.566 -3.418 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -14.888 -7.548 -1.666 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -17.456 -8.275 -2.153 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -16.698 -8.921 -3.595 1.00 0.00 H new ATOM 530 N PHE A 35 -14.454 -4.401 -2.514 1.00 0.00 N ATOM 531 CA PHE A 35 -13.608 -3.384 -1.915 1.00 0.00 C ATOM 532 C PHE A 35 -14.382 -2.079 -1.768 1.00 0.00 C ATOM 533 O PHE A 35 -14.310 -1.415 -0.735 1.00 0.00 O ATOM 534 CB PHE A 35 -12.355 -3.158 -2.764 1.00 0.00 C ATOM 535 CG PHE A 35 -11.142 -2.810 -1.951 1.00 0.00 C ATOM 536 CD1 PHE A 35 -11.202 -1.819 -0.985 1.00 0.00 C ATOM 537 CD2 PHE A 35 -9.942 -3.474 -2.151 1.00 0.00 C ATOM 538 CE1 PHE A 35 -10.091 -1.497 -0.232 1.00 0.00 C ATOM 539 CE2 PHE A 35 -8.826 -3.155 -1.400 1.00 0.00 C ATOM 540 CZ PHE A 35 -8.900 -2.166 -0.440 1.00 0.00 C ATOM 0 H PHE A 35 -14.308 -4.532 -3.515 1.00 0.00 H new ATOM 0 HA PHE A 35 -13.300 -3.728 -0.928 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -12.150 -4.058 -3.343 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -12.548 -2.357 -3.478 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -12.130 -1.292 -0.819 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -9.878 -4.248 -2.901 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -10.152 -0.723 0.519 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -7.896 -3.680 -1.564 1.00 0.00 H new ATOM 0 HZ PHE A 35 -8.029 -1.916 0.147 1.00 0.00 H new ATOM 550 N LEU A 36 -15.127 -1.716 -2.814 1.00 0.00 N ATOM 551 CA LEU A 36 -15.911 -0.495 -2.799 1.00 0.00 C ATOM 552 C LEU A 36 -17.107 -0.621 -1.856 1.00 0.00 C ATOM 553 O LEU A 36 -17.623 0.378 -1.354 1.00 0.00 O ATOM 554 CB LEU A 36 -16.344 -0.172 -4.230 1.00 0.00 C ATOM 555 CG LEU A 36 -17.754 -0.588 -4.629 1.00 0.00 C ATOM 556 CD1 LEU A 36 -18.726 0.567 -4.454 1.00 0.00 C ATOM 557 CD2 LEU A 36 -17.729 -1.068 -6.067 1.00 0.00 C ATOM 0 H LEU A 36 -15.199 -2.254 -3.678 1.00 0.00 H new ATOM 0 HA LEU A 36 -15.305 0.327 -2.420 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -16.252 0.904 -4.379 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -15.642 -0.649 -4.914 1.00 0.00 H new ATOM 0 HG LEU A 36 -18.096 -1.397 -3.984 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -19.727 0.248 -4.745 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -18.734 0.881 -3.410 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -18.415 1.402 -5.081 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -18.732 -1.370 -6.367 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -17.384 -0.262 -6.714 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -17.053 -1.918 -6.155 1.00 0.00 H new ATOM 569 N SER A 37 -17.530 -1.857 -1.608 1.00 0.00 N ATOM 570 CA SER A 37 -18.650 -2.120 -0.713 1.00 0.00 C ATOM 571 C SER A 37 -18.184 -2.092 0.739 1.00 0.00 C ATOM 572 O SER A 37 -18.734 -1.364 1.564 1.00 0.00 O ATOM 573 CB SER A 37 -19.283 -3.475 -1.035 1.00 0.00 C ATOM 574 OG SER A 37 -20.639 -3.514 -0.627 1.00 0.00 O ATOM 0 H SER A 37 -17.112 -2.693 -2.016 1.00 0.00 H new ATOM 0 HA SER A 37 -19.399 -1.341 -0.858 1.00 0.00 H new ATOM 0 HB2 SER A 37 -19.217 -3.666 -2.106 1.00 0.00 H new ATOM 0 HB3 SER A 37 -18.727 -4.268 -0.535 1.00 0.00 H new ATOM 0 HG SER A 37 -21.021 -4.390 -0.845 1.00 0.00 H new ATOM 580 N PHE A 38 -17.159 -2.886 1.040 1.00 0.00 N ATOM 581 CA PHE A 38 -16.609 -2.946 2.389 1.00 0.00 C ATOM 582 C PHE A 38 -16.049 -1.586 2.793 1.00 0.00 C ATOM 583 O PHE A 38 -16.149 -1.179 3.949 1.00 0.00 O ATOM 584 CB PHE A 38 -15.516 -4.017 2.477 1.00 0.00 C ATOM 585 CG PHE A 38 -15.860 -5.149 3.402 1.00 0.00 C ATOM 586 CD1 PHE A 38 -15.566 -5.069 4.754 1.00 0.00 C ATOM 587 CD2 PHE A 38 -16.479 -6.291 2.921 1.00 0.00 C ATOM 588 CE1 PHE A 38 -15.883 -6.108 5.608 1.00 0.00 C ATOM 589 CE2 PHE A 38 -16.798 -7.333 3.770 1.00 0.00 C ATOM 590 CZ PHE A 38 -16.499 -7.242 5.117 1.00 0.00 C ATOM 0 H PHE A 38 -16.694 -3.496 0.367 1.00 0.00 H new ATOM 0 HA PHE A 38 -17.411 -3.213 3.077 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -15.329 -4.417 1.480 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -14.589 -3.552 2.813 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -15.084 -4.185 5.144 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -16.715 -6.368 1.870 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -15.649 -6.033 6.660 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -17.280 -8.218 3.382 1.00 0.00 H new ATOM 0 HZ PHE A 38 -16.747 -8.055 5.783 1.00 0.00 H new ATOM 600 N MET A 39 -15.467 -0.886 1.826 1.00 0.00 N ATOM 601 CA MET A 39 -14.894 0.436 2.062 1.00 0.00 C ATOM 602 C MET A 39 -15.855 1.319 2.859 1.00 0.00 C ATOM 603 O MET A 39 -15.437 2.108 3.700 1.00 0.00 O ATOM 604 CB MET A 39 -14.559 1.097 0.721 1.00 0.00 C ATOM 605 CG MET A 39 -14.076 2.532 0.845 1.00 0.00 C ATOM 606 SD MET A 39 -12.745 2.919 -0.308 1.00 0.00 S ATOM 607 CE MET A 39 -11.396 1.976 0.401 1.00 0.00 C ATOM 0 H MET A 39 -15.379 -1.214 0.864 1.00 0.00 H new ATOM 0 HA MET A 39 -13.982 0.319 2.648 1.00 0.00 H new ATOM 0 HB2 MET A 39 -13.792 0.508 0.219 1.00 0.00 H new ATOM 0 HB3 MET A 39 -15.444 1.076 0.086 1.00 0.00 H new ATOM 0 HG2 MET A 39 -14.912 3.209 0.669 1.00 0.00 H new ATOM 0 HG3 MET A 39 -13.732 2.709 1.864 1.00 0.00 H new ATOM 0 HE1 MET A 39 -10.868 1.445 -0.391 1.00 0.00 H new ATOM 0 HE2 MET A 39 -10.707 2.652 0.907 1.00 0.00 H new ATOM 0 HE3 MET A 39 -11.792 1.257 1.118 1.00 0.00 H new ATOM 617 N ASN A 40 -17.145 1.180 2.580 1.00 0.00 N ATOM 618 CA ASN A 40 -18.169 1.968 3.260 1.00 0.00 C ATOM 619 C ASN A 40 -18.231 1.665 4.758 1.00 0.00 C ATOM 620 O ASN A 40 -18.783 2.448 5.531 1.00 0.00 O ATOM 621 CB ASN A 40 -19.537 1.709 2.626 1.00 0.00 C ATOM 622 CG ASN A 40 -19.735 2.487 1.340 1.00 0.00 C ATOM 623 OD1 ASN A 40 -20.283 3.590 1.347 1.00 0.00 O ATOM 624 ND2 ASN A 40 -19.290 1.916 0.227 1.00 0.00 N ATOM 0 H ASN A 40 -17.509 0.527 1.886 1.00 0.00 H new ATOM 0 HA ASN A 40 -17.899 3.018 3.145 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -19.644 0.643 2.423 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -20.320 1.979 3.335 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -19.396 2.393 -0.668 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -18.842 1.001 0.267 1.00 0.00 H new ATOM 631 N THR A 41 -17.690 0.520 5.166 1.00 0.00 N ATOM 632 CA THR A 41 -17.723 0.126 6.574 1.00 0.00 C ATOM 633 C THR A 41 -16.583 0.744 7.381 1.00 0.00 C ATOM 634 O THR A 41 -16.725 0.973 8.581 1.00 0.00 O ATOM 635 CB THR A 41 -17.674 -1.402 6.702 1.00 0.00 C ATOM 636 OG1 THR A 41 -18.125 -1.812 7.980 1.00 0.00 O ATOM 637 CG2 THR A 41 -16.299 -1.996 6.490 1.00 0.00 C ATOM 0 H THR A 41 -17.227 -0.147 4.549 1.00 0.00 H new ATOM 0 HA THR A 41 -18.660 0.503 6.985 1.00 0.00 H new ATOM 0 HB THR A 41 -18.326 -1.768 5.909 1.00 0.00 H new ATOM 0 HG1 THR A 41 -18.088 -2.789 8.042 1.00 0.00 H new ATOM 0 HG21 THR A 41 -16.350 -3.079 6.597 1.00 0.00 H new ATOM 0 HG22 THR A 41 -15.945 -1.747 5.490 1.00 0.00 H new ATOM 0 HG23 THR A 41 -15.609 -1.590 7.230 1.00 0.00 H new ATOM 645 N GLU A 42 -15.443 0.979 6.739 1.00 0.00 N ATOM 646 CA GLU A 42 -14.288 1.532 7.444 1.00 0.00 C ATOM 647 C GLU A 42 -13.606 2.652 6.659 1.00 0.00 C ATOM 648 O GLU A 42 -13.151 3.636 7.242 1.00 0.00 O ATOM 649 CB GLU A 42 -13.283 0.415 7.740 1.00 0.00 C ATOM 650 CG GLU A 42 -13.919 -0.963 7.892 1.00 0.00 C ATOM 651 CD GLU A 42 -13.214 -1.820 8.924 1.00 0.00 C ATOM 652 OE1 GLU A 42 -12.825 -1.278 9.981 1.00 0.00 O ATOM 653 OE2 GLU A 42 -13.050 -3.033 8.677 1.00 0.00 O ATOM 0 H GLU A 42 -15.293 0.799 5.746 1.00 0.00 H new ATOM 0 HA GLU A 42 -14.650 1.967 8.375 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -12.548 0.379 6.936 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -12.743 0.658 8.655 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -14.965 -0.847 8.175 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -13.904 -1.474 6.929 1.00 0.00 H new ATOM 660 N LEU A 43 -13.533 2.500 5.343 1.00 0.00 N ATOM 661 CA LEU A 43 -12.900 3.504 4.492 1.00 0.00 C ATOM 662 C LEU A 43 -13.959 4.308 3.754 1.00 0.00 C ATOM 663 O LEU A 43 -13.782 4.693 2.598 1.00 0.00 O ATOM 664 CB LEU A 43 -11.947 2.832 3.501 1.00 0.00 C ATOM 665 CG LEU A 43 -10.587 2.447 4.079 1.00 0.00 C ATOM 666 CD1 LEU A 43 -9.684 1.874 2.998 1.00 0.00 C ATOM 667 CD2 LEU A 43 -9.937 3.653 4.736 1.00 0.00 C ATOM 0 H LEU A 43 -13.903 1.693 4.841 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.323 4.184 5.118 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -12.426 1.935 3.109 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.790 3.504 2.657 1.00 0.00 H new ATOM 0 HG LEU A 43 -10.738 1.677 4.835 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -8.721 1.607 3.432 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.148 0.986 2.570 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -9.535 2.618 2.216 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -8.968 3.367 5.145 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -9.800 4.441 3.995 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -10.576 4.018 5.540 1.00 0.00 H new ATOM 679 N ALA A 44 -15.065 4.548 4.441 1.00 0.00 N ATOM 680 CA ALA A 44 -16.180 5.292 3.877 1.00 0.00 C ATOM 681 C ALA A 44 -15.915 6.790 3.916 1.00 0.00 C ATOM 682 O ALA A 44 -16.256 7.516 2.983 1.00 0.00 O ATOM 683 CB ALA A 44 -17.455 4.952 4.629 1.00 0.00 C ATOM 0 H ALA A 44 -15.215 4.234 5.400 1.00 0.00 H new ATOM 0 HA ALA A 44 -16.297 5.006 2.832 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -18.288 5.511 4.204 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -17.654 3.884 4.544 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -17.339 5.217 5.680 1.00 0.00 H new ATOM 689 N ALA A 45 -15.293 7.246 4.997 1.00 0.00 N ATOM 690 CA ALA A 45 -14.970 8.658 5.152 1.00 0.00 C ATOM 691 C ALA A 45 -14.182 9.170 3.948 1.00 0.00 C ATOM 692 O ALA A 45 -14.189 10.364 3.648 1.00 0.00 O ATOM 693 CB ALA A 45 -14.182 8.873 6.436 1.00 0.00 C ATOM 0 H ALA A 45 -15.003 6.658 5.778 1.00 0.00 H new ATOM 0 HA ALA A 45 -15.901 9.223 5.210 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -13.945 9.931 6.544 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -14.778 8.546 7.288 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -13.258 8.296 6.397 1.00 0.00 H new ATOM 699 N PHE A 46 -13.506 8.253 3.261 1.00 0.00 N ATOM 700 CA PHE A 46 -12.713 8.596 2.088 1.00 0.00 C ATOM 701 C PHE A 46 -13.473 8.267 0.805 1.00 0.00 C ATOM 702 O PHE A 46 -12.870 8.002 -0.234 1.00 0.00 O ATOM 703 CB PHE A 46 -11.380 7.843 2.119 1.00 0.00 C ATOM 704 CG PHE A 46 -10.784 7.738 3.496 1.00 0.00 C ATOM 705 CD1 PHE A 46 -11.116 6.682 4.329 1.00 0.00 C ATOM 706 CD2 PHE A 46 -9.898 8.697 3.958 1.00 0.00 C ATOM 707 CE1 PHE A 46 -10.575 6.584 5.597 1.00 0.00 C ATOM 708 CE2 PHE A 46 -9.353 8.605 5.224 1.00 0.00 C ATOM 709 CZ PHE A 46 -9.691 7.546 6.045 1.00 0.00 C ATOM 0 H PHE A 46 -13.493 7.261 3.500 1.00 0.00 H new ATOM 0 HA PHE A 46 -12.518 9.668 2.105 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -11.528 6.840 1.718 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -10.671 8.347 1.462 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -11.806 5.926 3.983 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -9.630 9.527 3.321 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -10.843 5.756 6.237 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -8.663 9.360 5.572 1.00 0.00 H new ATOM 0 HZ PHE A 46 -9.265 7.471 7.035 1.00 0.00 H new ATOM 719 N THR A 47 -14.802 8.285 0.887 1.00 0.00 N ATOM 720 CA THR A 47 -15.649 7.989 -0.264 1.00 0.00 C ATOM 721 C THR A 47 -16.994 8.702 -0.153 1.00 0.00 C ATOM 722 O THR A 47 -17.503 9.242 -1.135 1.00 0.00 O ATOM 723 CB THR A 47 -15.876 6.481 -0.386 1.00 0.00 C ATOM 724 OG1 THR A 47 -16.522 5.977 0.771 1.00 0.00 O ATOM 725 CG2 THR A 47 -14.598 5.696 -0.576 1.00 0.00 C ATOM 0 H THR A 47 -15.315 8.502 1.741 1.00 0.00 H new ATOM 0 HA THR A 47 -15.136 8.349 -1.156 1.00 0.00 H new ATOM 0 HB THR A 47 -16.496 6.353 -1.273 1.00 0.00 H new ATOM 0 HG1 THR A 47 -16.485 6.648 1.485 1.00 0.00 H new ATOM 0 HG21 THR A 47 -14.832 4.634 -0.655 1.00 0.00 H new ATOM 0 HG22 THR A 47 -14.100 6.027 -1.487 1.00 0.00 H new ATOM 0 HG23 THR A 47 -13.940 5.860 0.277 1.00 0.00 H new ATOM 841 N VAL A 55 -10.847 10.002 -6.543 1.00 0.00 N ATOM 842 CA VAL A 55 -10.196 9.185 -5.520 1.00 0.00 C ATOM 843 C VAL A 55 -10.629 7.724 -5.619 1.00 0.00 C ATOM 844 O VAL A 55 -9.793 6.828 -5.735 1.00 0.00 O ATOM 845 CB VAL A 55 -10.492 9.712 -4.100 1.00 0.00 C ATOM 846 CG1 VAL A 55 -9.862 8.816 -3.045 1.00 0.00 C ATOM 847 CG2 VAL A 55 -10.000 11.142 -3.951 1.00 0.00 C ATOM 0 HA VAL A 55 -9.123 9.251 -5.701 1.00 0.00 H new ATOM 0 HB VAL A 55 -11.572 9.700 -3.951 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -10.085 9.209 -2.053 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -10.266 7.808 -3.135 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -8.782 8.788 -3.189 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -10.217 11.498 -2.944 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -8.924 11.177 -4.125 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -10.506 11.778 -4.677 1.00 0.00 H new ATOM 857 N LEU A 56 -11.935 7.490 -5.579 1.00 0.00 N ATOM 858 CA LEU A 56 -12.465 6.141 -5.672 1.00 0.00 C ATOM 859 C LEU A 56 -12.251 5.588 -7.072 1.00 0.00 C ATOM 860 O LEU A 56 -11.725 4.492 -7.252 1.00 0.00 O ATOM 861 CB LEU A 56 -13.960 6.145 -5.350 1.00 0.00 C ATOM 862 CG LEU A 56 -14.752 5.031 -6.029 1.00 0.00 C ATOM 863 CD1 LEU A 56 -15.827 4.496 -5.110 1.00 0.00 C ATOM 864 CD2 LEU A 56 -15.354 5.508 -7.342 1.00 0.00 C ATOM 0 H LEU A 56 -12.643 8.218 -5.483 1.00 0.00 H new ATOM 0 HA LEU A 56 -11.941 5.510 -4.954 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -14.087 6.060 -4.271 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -14.381 7.106 -5.646 1.00 0.00 H new ATOM 0 HG LEU A 56 -14.060 4.219 -6.252 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -16.377 3.703 -5.617 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -15.367 4.098 -4.206 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -16.512 5.301 -4.844 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -15.912 4.694 -7.803 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -16.025 6.346 -7.152 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -14.557 5.827 -8.013 1.00 0.00 H new ATOM 876 N ASP A 57 -12.674 6.360 -8.058 1.00 0.00 N ATOM 877 CA ASP A 57 -12.546 5.955 -9.451 1.00 0.00 C ATOM 878 C ASP A 57 -11.100 5.606 -9.777 1.00 0.00 C ATOM 879 O ASP A 57 -10.835 4.800 -10.665 1.00 0.00 O ATOM 880 CB ASP A 57 -13.038 7.074 -10.370 1.00 0.00 C ATOM 881 CG ASP A 57 -13.802 6.546 -11.568 1.00 0.00 C ATOM 882 OD1 ASP A 57 -14.314 5.410 -11.492 1.00 0.00 O ATOM 883 OD2 ASP A 57 -13.888 7.270 -12.582 1.00 0.00 O ATOM 0 H ASP A 57 -13.110 7.272 -7.922 1.00 0.00 H new ATOM 0 HA ASP A 57 -13.159 5.068 -9.612 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -13.679 7.750 -9.804 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -12.185 7.658 -10.715 1.00 0.00 H new ATOM 888 N ARG A 58 -10.166 6.203 -9.042 1.00 0.00 N ATOM 889 CA ARG A 58 -8.750 5.938 -9.250 1.00 0.00 C ATOM 890 C ARG A 58 -8.446 4.456 -9.058 1.00 0.00 C ATOM 891 O ARG A 58 -7.857 3.817 -9.929 1.00 0.00 O ATOM 892 CB ARG A 58 -7.906 6.773 -8.287 1.00 0.00 C ATOM 893 CG ARG A 58 -6.446 6.860 -8.689 1.00 0.00 C ATOM 894 CD ARG A 58 -5.734 7.995 -7.971 1.00 0.00 C ATOM 895 NE ARG A 58 -4.281 7.858 -8.037 1.00 0.00 N ATOM 896 CZ ARG A 58 -3.431 8.863 -7.842 1.00 0.00 C ATOM 897 NH1 ARG A 58 -3.883 10.080 -7.566 1.00 0.00 N ATOM 898 NH2 ARG A 58 -2.124 8.650 -7.923 1.00 0.00 N ATOM 0 H ARG A 58 -10.366 6.872 -8.299 1.00 0.00 H new ATOM 0 HA ARG A 58 -8.498 6.215 -10.274 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -8.321 7.779 -8.231 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -7.975 6.343 -7.288 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.949 5.917 -8.462 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -6.373 7.008 -9.766 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -6.029 8.946 -8.414 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -6.049 8.018 -6.928 1.00 0.00 H new ATOM 0 HE ARG A 58 -3.895 6.937 -8.245 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -4.887 10.249 -7.502 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -3.226 10.846 -7.418 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -1.772 7.717 -8.135 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -1.472 9.420 -7.774 1.00 0.00 H new ATOM 911 N MET A 59 -8.855 3.911 -7.914 1.00 0.00 N ATOM 912 CA MET A 59 -8.622 2.501 -7.623 1.00 0.00 C ATOM 913 C MET A 59 -9.304 1.624 -8.662 1.00 0.00 C ATOM 914 O MET A 59 -8.674 0.769 -9.281 1.00 0.00 O ATOM 915 CB MET A 59 -9.116 2.155 -6.210 1.00 0.00 C ATOM 916 CG MET A 59 -10.598 1.817 -6.104 1.00 0.00 C ATOM 917 SD MET A 59 -11.071 1.171 -4.484 1.00 0.00 S ATOM 918 CE MET A 59 -9.958 2.069 -3.422 1.00 0.00 C ATOM 0 H MET A 59 -9.346 4.421 -7.179 1.00 0.00 H new ATOM 0 HA MET A 59 -7.550 2.311 -7.666 1.00 0.00 H new ATOM 0 HB2 MET A 59 -8.539 1.308 -5.838 1.00 0.00 H new ATOM 0 HB3 MET A 59 -8.904 2.998 -5.552 1.00 0.00 H new ATOM 0 HG2 MET A 59 -11.183 2.712 -6.315 1.00 0.00 H new ATOM 0 HG3 MET A 59 -10.851 1.082 -6.868 1.00 0.00 H new ATOM 0 HE1 MET A 59 -9.672 1.440 -2.579 1.00 0.00 H new ATOM 0 HE2 MET A 59 -9.067 2.351 -3.983 1.00 0.00 H new ATOM 0 HE3 MET A 59 -10.453 2.967 -3.052 1.00 0.00 H new ATOM 928 N MET A 60 -10.596 1.848 -8.846 1.00 0.00 N ATOM 929 CA MET A 60 -11.373 1.079 -9.813 1.00 0.00 C ATOM 930 C MET A 60 -10.814 1.258 -11.220 1.00 0.00 C ATOM 931 O MET A 60 -10.869 0.344 -12.043 1.00 0.00 O ATOM 932 CB MET A 60 -12.844 1.497 -9.774 1.00 0.00 C ATOM 933 CG MET A 60 -13.660 0.727 -8.751 1.00 0.00 C ATOM 934 SD MET A 60 -14.640 1.796 -7.693 1.00 0.00 S ATOM 935 CE MET A 60 -13.528 1.920 -6.305 1.00 0.00 C ATOM 0 H MET A 60 -11.130 2.555 -8.340 1.00 0.00 H new ATOM 0 HA MET A 60 -11.301 0.025 -9.543 1.00 0.00 H new ATOM 0 HB2 MET A 60 -12.906 2.562 -9.551 1.00 0.00 H new ATOM 0 HB3 MET A 60 -13.282 1.352 -10.762 1.00 0.00 H new ATOM 0 HG2 MET A 60 -14.321 0.032 -9.269 1.00 0.00 H new ATOM 0 HG3 MET A 60 -12.989 0.129 -8.134 1.00 0.00 H new ATOM 0 HE1 MET A 60 -14.099 2.113 -5.397 1.00 0.00 H new ATOM 0 HE2 MET A 60 -12.977 0.986 -6.196 1.00 0.00 H new ATOM 0 HE3 MET A 60 -12.827 2.737 -6.473 1.00 0.00 H new ATOM 1083 N GLN A 70 -10.226 -11.400 -11.297 1.00 0.00 N ATOM 1084 CA GLN A 70 -10.550 -10.887 -9.973 1.00 0.00 C ATOM 1085 C GLN A 70 -9.536 -9.833 -9.543 1.00 0.00 C ATOM 1086 O GLN A 70 -8.690 -9.419 -10.337 1.00 0.00 O ATOM 1087 CB GLN A 70 -10.579 -12.034 -8.959 1.00 0.00 C ATOM 1088 CG GLN A 70 -11.944 -12.686 -8.820 1.00 0.00 C ATOM 1089 CD GLN A 70 -12.849 -11.927 -7.873 1.00 0.00 C ATOM 1090 OE1 GLN A 70 -13.188 -10.697 -8.241 1.00 0.00 O flip ATOM 1091 NE2 GLN A 70 -13.241 -12.439 -6.824 1.00 0.00 N flip ATOM 0 HA GLN A 70 -11.535 -10.422 -10.013 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -9.853 -12.790 -9.257 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -10.265 -11.656 -7.986 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -12.417 -12.747 -9.800 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -11.821 -13.708 -8.461 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -12.955 -13.388 -6.581 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -13.852 -11.915 -6.198 1.00 0.00 H new ATOM 1100 N LEU A 71 -9.611 -9.412 -8.282 1.00 0.00 N ATOM 1101 CA LEU A 71 -8.684 -8.428 -7.757 1.00 0.00 C ATOM 1102 C LEU A 71 -7.268 -9.027 -7.786 1.00 0.00 C ATOM 1103 O LEU A 71 -6.924 -9.738 -8.729 1.00 0.00 O ATOM 1104 CB LEU A 71 -9.125 -8.014 -6.332 1.00 0.00 C ATOM 1105 CG LEU A 71 -9.845 -6.658 -6.192 1.00 0.00 C ATOM 1106 CD1 LEU A 71 -8.885 -5.579 -5.708 1.00 0.00 C ATOM 1107 CD2 LEU A 71 -10.520 -6.244 -7.495 1.00 0.00 C ATOM 0 H LEU A 71 -10.305 -9.740 -7.611 1.00 0.00 H new ATOM 0 HA LEU A 71 -8.680 -7.524 -8.366 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.784 -8.790 -5.942 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.241 -7.996 -5.695 1.00 0.00 H new ATOM 0 HG LEU A 71 -10.627 -6.778 -5.442 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -9.417 -4.632 -5.618 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.480 -5.862 -4.736 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.070 -5.470 -6.423 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -11.017 -5.284 -7.358 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -9.770 -6.156 -8.281 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -11.256 -6.996 -7.779 1.00 0.00 H new ATOM 1119 N ASP A 72 -6.461 -8.779 -6.760 1.00 0.00 N ATOM 1120 CA ASP A 72 -5.104 -9.335 -6.697 1.00 0.00 C ATOM 1121 C ASP A 72 -4.268 -8.640 -5.631 1.00 0.00 C ATOM 1122 O ASP A 72 -4.720 -7.700 -4.977 1.00 0.00 O ATOM 1123 CB ASP A 72 -4.382 -9.283 -8.055 1.00 0.00 C ATOM 1124 CG ASP A 72 -4.621 -8.001 -8.826 1.00 0.00 C ATOM 1125 OD1 ASP A 72 -3.851 -7.038 -8.628 1.00 0.00 O ATOM 1126 OD2 ASP A 72 -5.569 -7.966 -9.638 1.00 0.00 O ATOM 0 H ASP A 72 -6.717 -8.199 -5.961 1.00 0.00 H new ATOM 0 HA ASP A 72 -5.217 -10.384 -6.425 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -3.311 -9.403 -7.891 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.709 -10.127 -8.662 1.00 0.00 H new ATOM 1131 N PHE A 73 -3.052 -9.141 -5.443 1.00 0.00 N ATOM 1132 CA PHE A 73 -2.137 -8.631 -4.428 1.00 0.00 C ATOM 1133 C PHE A 73 -2.043 -7.099 -4.396 1.00 0.00 C ATOM 1134 O PHE A 73 -2.370 -6.488 -3.376 1.00 0.00 O ATOM 1135 CB PHE A 73 -0.756 -9.278 -4.603 1.00 0.00 C ATOM 1136 CG PHE A 73 0.220 -8.484 -5.427 1.00 0.00 C ATOM 1137 CD1 PHE A 73 0.985 -7.483 -4.848 1.00 0.00 C ATOM 1138 CD2 PHE A 73 0.369 -8.739 -6.782 1.00 0.00 C ATOM 1139 CE1 PHE A 73 1.881 -6.752 -5.607 1.00 0.00 C ATOM 1140 CE2 PHE A 73 1.263 -8.011 -7.543 1.00 0.00 C ATOM 1141 CZ PHE A 73 2.019 -7.017 -6.955 1.00 0.00 C ATOM 0 H PHE A 73 -2.672 -9.913 -5.991 1.00 0.00 H new ATOM 0 HA PHE A 73 -2.547 -8.910 -3.457 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -0.323 -9.446 -3.617 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -0.886 -10.257 -5.065 1.00 0.00 H new ATOM 0 HD1 PHE A 73 0.880 -7.272 -3.794 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -0.220 -9.515 -7.247 1.00 0.00 H new ATOM 0 HE1 PHE A 73 2.472 -5.975 -5.146 1.00 0.00 H new ATOM 0 HE2 PHE A 73 1.370 -8.219 -8.597 1.00 0.00 H new ATOM 0 HZ PHE A 73 2.718 -6.447 -7.549 1.00 0.00 H new ATOM 1151 N GLN A 74 -1.594 -6.467 -5.479 1.00 0.00 N ATOM 1152 CA GLN A 74 -1.480 -5.014 -5.474 1.00 0.00 C ATOM 1153 C GLN A 74 -2.821 -4.357 -5.725 1.00 0.00 C ATOM 1154 O GLN A 74 -3.073 -3.269 -5.225 1.00 0.00 O ATOM 1155 CB GLN A 74 -0.448 -4.507 -6.481 1.00 0.00 C ATOM 1156 CG GLN A 74 0.424 -3.389 -5.915 1.00 0.00 C ATOM 1157 CD GLN A 74 0.222 -2.055 -6.616 1.00 0.00 C ATOM 1158 OE1 GLN A 74 -0.334 -1.070 -5.903 1.00 0.00 O flip ATOM 1159 NE2 GLN A 74 0.563 -1.906 -7.789 1.00 0.00 N flip ATOM 0 H GLN A 74 -1.311 -6.924 -6.346 1.00 0.00 H new ATOM 0 HA GLN A 74 -1.133 -4.736 -4.479 1.00 0.00 H new ATOM 0 HB2 GLN A 74 0.187 -5.336 -6.793 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -0.962 -4.146 -7.372 1.00 0.00 H new ATOM 0 HG2 GLN A 74 0.207 -3.270 -4.854 1.00 0.00 H new ATOM 0 HG3 GLN A 74 1.472 -3.679 -5.995 1.00 0.00 H new ATOM 0 HE21 GLN A 74 0.984 -2.682 -8.300 1.00 0.00 H new ATOM 0 HE22 GLN A 74 0.425 -1.007 -8.250 1.00 0.00 H new ATOM 1168 N GLU A 75 -3.693 -5.014 -6.484 1.00 0.00 N ATOM 1169 CA GLU A 75 -5.008 -4.450 -6.758 1.00 0.00 C ATOM 1170 C GLU A 75 -5.626 -3.935 -5.468 1.00 0.00 C ATOM 1171 O GLU A 75 -6.359 -2.947 -5.472 1.00 0.00 O ATOM 1172 CB GLU A 75 -5.928 -5.474 -7.417 1.00 0.00 C ATOM 1173 CG GLU A 75 -6.215 -5.168 -8.879 1.00 0.00 C ATOM 1174 CD GLU A 75 -7.683 -5.294 -9.230 1.00 0.00 C ATOM 1175 OE1 GLU A 75 -8.479 -4.455 -8.760 1.00 0.00 O ATOM 1176 OE2 GLU A 75 -8.035 -6.227 -9.983 1.00 0.00 O ATOM 0 H GLU A 75 -3.517 -5.922 -6.913 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.885 -3.621 -7.455 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.474 -6.462 -7.342 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.869 -5.513 -6.869 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -5.878 -4.157 -9.106 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.637 -5.846 -9.507 1.00 0.00 H new ATOM 1183 N PHE A 76 -5.295 -4.587 -4.356 1.00 0.00 N ATOM 1184 CA PHE A 76 -5.802 -4.153 -3.069 1.00 0.00 C ATOM 1185 C PHE A 76 -4.989 -2.957 -2.569 1.00 0.00 C ATOM 1186 O PHE A 76 -5.546 -1.904 -2.255 1.00 0.00 O ATOM 1187 CB PHE A 76 -5.752 -5.259 -2.011 1.00 0.00 C ATOM 1188 CG PHE A 76 -5.822 -6.679 -2.505 1.00 0.00 C ATOM 1189 CD1 PHE A 76 -6.932 -7.142 -3.192 1.00 0.00 C ATOM 1190 CD2 PHE A 76 -4.793 -7.566 -2.227 1.00 0.00 C ATOM 1191 CE1 PHE A 76 -7.008 -8.463 -3.601 1.00 0.00 C ATOM 1192 CE2 PHE A 76 -4.869 -8.887 -2.625 1.00 0.00 C ATOM 1193 CZ PHE A 76 -5.977 -9.336 -3.314 1.00 0.00 C ATOM 0 H PHE A 76 -4.687 -5.405 -4.325 1.00 0.00 H new ATOM 0 HA PHE A 76 -6.846 -3.879 -3.217 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -4.829 -5.143 -1.443 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -6.577 -5.101 -1.316 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -7.746 -6.467 -3.411 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -3.921 -7.220 -1.692 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -7.874 -8.811 -4.145 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -4.062 -9.567 -2.397 1.00 0.00 H new ATOM 0 HZ PHE A 76 -6.038 -10.368 -3.628 1.00 0.00 H new ATOM 1203 N LEU A 77 -3.667 -3.128 -2.505 1.00 0.00 N ATOM 1204 CA LEU A 77 -2.777 -2.063 -2.049 1.00 0.00 C ATOM 1205 C LEU A 77 -2.884 -0.846 -2.962 1.00 0.00 C ATOM 1206 O LEU A 77 -2.783 0.293 -2.510 1.00 0.00 O ATOM 1207 CB LEU A 77 -1.331 -2.564 -1.995 1.00 0.00 C ATOM 1208 CG LEU A 77 -0.876 -3.047 -0.616 1.00 0.00 C ATOM 1209 CD1 LEU A 77 0.408 -3.855 -0.715 1.00 0.00 C ATOM 1210 CD2 LEU A 77 -0.702 -1.867 0.323 1.00 0.00 C ATOM 0 H LEU A 77 -3.192 -3.993 -2.763 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.081 -1.767 -1.045 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.216 -3.381 -2.708 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.670 -1.761 -2.321 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.648 -3.702 -0.211 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.708 -4.185 0.280 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.243 -4.724 -1.351 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.195 -3.236 -1.144 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.378 -2.225 1.300 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.048 -1.188 -0.082 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.651 -1.340 0.425 1.00 0.00 H new ATOM 1222 N ASN A 78 -3.105 -1.098 -4.245 1.00 0.00 N ATOM 1223 CA ASN A 78 -3.249 -0.031 -5.224 1.00 0.00 C ATOM 1224 C ASN A 78 -4.587 0.661 -5.025 1.00 0.00 C ATOM 1225 O ASN A 78 -4.711 1.870 -5.224 1.00 0.00 O ATOM 1226 CB ASN A 78 -3.137 -0.593 -6.654 1.00 0.00 C ATOM 1227 CG ASN A 78 -4.092 0.062 -7.638 1.00 0.00 C ATOM 1228 OD1 ASN A 78 -5.145 -0.658 -8.003 1.00 0.00 O flip ATOM 1229 ND2 ASN A 78 -3.884 1.199 -8.062 1.00 0.00 N flip ATOM 0 H ASN A 78 -3.189 -2.038 -4.633 1.00 0.00 H new ATOM 0 HA ASN A 78 -2.448 0.695 -5.083 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -2.115 -0.461 -7.009 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -3.330 -1.665 -6.631 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -3.060 1.716 -7.753 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -4.535 1.624 -8.722 1.00 0.00 H new ATOM 1236 N LEU A 79 -5.591 -0.117 -4.633 1.00 0.00 N ATOM 1237 CA LEU A 79 -6.916 0.426 -4.413 1.00 0.00 C ATOM 1238 C LEU A 79 -6.923 1.355 -3.207 1.00 0.00 C ATOM 1239 O LEU A 79 -7.258 2.528 -3.336 1.00 0.00 O ATOM 1240 CB LEU A 79 -7.940 -0.703 -4.236 1.00 0.00 C ATOM 1241 CG LEU A 79 -8.685 -1.144 -5.511 1.00 0.00 C ATOM 1242 CD1 LEU A 79 -7.845 -0.925 -6.757 1.00 0.00 C ATOM 1243 CD2 LEU A 79 -9.074 -2.603 -5.410 1.00 0.00 C ATOM 0 H LEU A 79 -5.508 -1.119 -4.463 1.00 0.00 H new ATOM 0 HA LEU A 79 -7.198 1.007 -5.291 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -7.427 -1.570 -3.820 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -8.678 -0.386 -3.499 1.00 0.00 H new ATOM 0 HG LEU A 79 -9.582 -0.530 -5.596 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -8.405 -1.248 -7.635 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -7.602 0.133 -6.851 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -6.924 -1.503 -6.681 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -9.600 -2.903 -6.317 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -8.177 -3.211 -5.292 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -9.726 -2.747 -4.548 1.00 0.00 H new ATOM 1255 N ILE A 80 -6.529 0.843 -2.041 1.00 0.00 N ATOM 1256 CA ILE A 80 -6.481 1.669 -0.841 1.00 0.00 C ATOM 1257 C ILE A 80 -5.291 2.612 -0.903 1.00 0.00 C ATOM 1258 O ILE A 80 -5.413 3.800 -0.606 1.00 0.00 O ATOM 1259 CB ILE A 80 -6.432 0.846 0.462 1.00 0.00 C ATOM 1260 CG1 ILE A 80 -6.784 1.737 1.655 1.00 0.00 C ATOM 1261 CG2 ILE A 80 -5.069 0.227 0.666 1.00 0.00 C ATOM 1262 CD1 ILE A 80 -5.631 2.601 2.133 1.00 0.00 C ATOM 0 H ILE A 80 -6.243 -0.126 -1.905 1.00 0.00 H new ATOM 0 HA ILE A 80 -7.410 2.239 -0.818 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.162 0.041 0.383 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -7.620 2.381 1.382 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -7.122 1.109 2.479 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.065 -0.347 1.593 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -4.840 -0.433 -0.171 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.317 1.014 0.724 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.956 3.205 2.980 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -4.801 1.964 2.438 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.307 3.256 1.324 1.00 0.00 H new ATOM 1274 N GLY A 81 -4.141 2.085 -1.324 1.00 0.00 N ATOM 1275 CA GLY A 81 -2.961 2.919 -1.448 1.00 0.00 C ATOM 1276 C GLY A 81 -3.265 4.132 -2.293 1.00 0.00 C ATOM 1277 O GLY A 81 -3.010 5.266 -1.888 1.00 0.00 O ATOM 0 H GLY A 81 -4.009 1.106 -1.578 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -2.622 3.231 -0.460 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.149 2.348 -1.898 1.00 0.00 H new ATOM 1281 N GLY A 82 -3.853 3.889 -3.463 1.00 0.00 N ATOM 1282 CA GLY A 82 -4.232 4.982 -4.340 1.00 0.00 C ATOM 1283 C GLY A 82 -5.062 6.028 -3.608 1.00 0.00 C ATOM 1284 O GLY A 82 -4.910 7.226 -3.845 1.00 0.00 O ATOM 0 H GLY A 82 -4.072 2.958 -3.817 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -3.336 5.449 -4.748 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -4.801 4.591 -5.184 1.00 0.00 H new ATOM 1288 N LEU A 83 -5.932 5.575 -2.702 1.00 0.00 N ATOM 1289 CA LEU A 83 -6.764 6.492 -1.926 1.00 0.00 C ATOM 1290 C LEU A 83 -5.894 7.368 -1.039 1.00 0.00 C ATOM 1291 O LEU A 83 -6.088 8.582 -0.969 1.00 0.00 O ATOM 1292 CB LEU A 83 -7.765 5.726 -1.061 1.00 0.00 C ATOM 1293 CG LEU A 83 -8.381 4.501 -1.723 1.00 0.00 C ATOM 1294 CD1 LEU A 83 -9.481 3.920 -0.855 1.00 0.00 C ATOM 1295 CD2 LEU A 83 -8.911 4.853 -3.104 1.00 0.00 C ATOM 0 H LEU A 83 -6.077 4.588 -2.490 1.00 0.00 H new ATOM 0 HA LEU A 83 -7.316 7.118 -2.627 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -7.265 5.413 -0.144 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -8.566 6.405 -0.771 1.00 0.00 H new ATOM 0 HG LEU A 83 -7.605 3.744 -1.837 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -9.908 3.046 -1.346 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -9.067 3.628 0.110 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -10.259 4.668 -0.705 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -9.348 3.966 -3.563 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -9.672 5.628 -3.015 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -8.093 5.218 -3.725 1.00 0.00 H new ATOM 1307 N ALA A 84 -4.927 6.749 -0.366 1.00 0.00 N ATOM 1308 CA ALA A 84 -4.025 7.490 0.510 1.00 0.00 C ATOM 1309 C ALA A 84 -3.348 8.619 -0.248 1.00 0.00 C ATOM 1310 O ALA A 84 -3.045 9.673 0.310 1.00 0.00 O ATOM 1311 CB ALA A 84 -2.963 6.570 1.075 1.00 0.00 C ATOM 0 H ALA A 84 -4.749 5.746 -0.410 1.00 0.00 H new ATOM 0 HA ALA A 84 -4.618 7.907 1.324 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.298 7.138 1.726 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -3.439 5.774 1.648 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.386 6.135 0.259 1.00 0.00 H new ATOM 1317 N VAL A 85 -3.108 8.378 -1.523 1.00 0.00 N ATOM 1318 CA VAL A 85 -2.456 9.355 -2.380 1.00 0.00 C ATOM 1319 C VAL A 85 -3.450 10.344 -2.959 1.00 0.00 C ATOM 1320 O VAL A 85 -3.074 11.411 -3.441 1.00 0.00 O ATOM 1321 CB VAL A 85 -1.658 8.690 -3.525 1.00 0.00 C ATOM 1322 CG1 VAL A 85 -0.204 9.091 -3.428 1.00 0.00 C ATOM 1323 CG2 VAL A 85 -1.781 7.172 -3.494 1.00 0.00 C ATOM 0 H VAL A 85 -3.356 7.507 -1.993 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.754 9.893 -1.743 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.076 9.035 -4.471 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.358 8.622 -4.236 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.119 10.175 -3.509 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.200 8.766 -2.469 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.206 6.744 -4.315 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.397 6.795 -2.546 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -2.829 6.890 -3.599 1.00 0.00 H new ATOM 1333 N ALA A 86 -4.719 9.981 -2.914 1.00 0.00 N ATOM 1334 CA ALA A 86 -5.769 10.830 -3.437 1.00 0.00 C ATOM 1335 C ALA A 86 -6.676 11.340 -2.322 1.00 0.00 C ATOM 1336 O ALA A 86 -7.744 11.891 -2.585 1.00 0.00 O ATOM 1337 CB ALA A 86 -6.560 10.049 -4.461 1.00 0.00 C ATOM 0 H ALA A 86 -5.046 9.100 -2.518 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.322 11.705 -3.909 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -7.355 10.677 -4.863 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -5.900 9.737 -5.270 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -6.997 9.169 -3.989 1.00 0.00 H new ATOM 1343 N CYS A 87 -6.246 11.157 -1.076 1.00 0.00 N ATOM 1344 CA CYS A 87 -7.030 11.601 0.068 1.00 0.00 C ATOM 1345 C CYS A 87 -6.159 11.791 1.310 1.00 0.00 C ATOM 1346 O CYS A 87 -6.354 12.740 2.069 1.00 0.00 O ATOM 1347 CB CYS A 87 -8.150 10.604 0.361 1.00 0.00 C ATOM 1348 SG CYS A 87 -9.494 11.285 1.360 1.00 0.00 S ATOM 0 H CYS A 87 -5.363 10.706 -0.836 1.00 0.00 H new ATOM 0 HA CYS A 87 -7.465 12.568 -0.186 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -8.559 10.244 -0.583 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -7.729 9.741 0.876 1.00 0.00 H new ATOM 0 HG CYS A 87 -10.559 10.556 1.209 1.00 0.00 H new ATOM 1354 N HIS A 88 -5.199 10.889 1.521 1.00 0.00 N ATOM 1355 CA HIS A 88 -4.319 10.985 2.683 1.00 0.00 C ATOM 1356 C HIS A 88 -3.065 11.792 2.360 1.00 0.00 C ATOM 1357 O HIS A 88 -2.781 12.076 1.196 1.00 0.00 O ATOM 1358 CB HIS A 88 -3.929 9.594 3.184 1.00 0.00 C ATOM 1359 CG HIS A 88 -5.088 8.794 3.696 1.00 0.00 C ATOM 1360 ND1 HIS A 88 -5.141 8.280 4.974 1.00 0.00 N ATOM 1361 CD2 HIS A 88 -6.242 8.420 3.094 1.00 0.00 C ATOM 1362 CE1 HIS A 88 -6.277 7.624 5.136 1.00 0.00 C ATOM 1363 NE2 HIS A 88 -6.962 7.695 4.010 1.00 0.00 N ATOM 0 H HIS A 88 -5.013 10.094 0.910 1.00 0.00 H new ATOM 0 HA HIS A 88 -4.868 11.502 3.470 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -3.450 9.046 2.373 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -3.190 9.697 3.979 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -6.540 8.650 2.082 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -6.591 7.117 6.036 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -7.879 7.278 3.847 1.00 0.00 H new ATOM 1372 N GLU A 89 -2.322 12.159 3.399 1.00 0.00 N ATOM 1373 CA GLU A 89 -1.099 12.938 3.233 1.00 0.00 C ATOM 1374 C GLU A 89 -0.118 12.231 2.303 1.00 0.00 C ATOM 1375 O GLU A 89 0.725 11.451 2.747 1.00 0.00 O ATOM 1376 CB GLU A 89 -0.442 13.187 4.593 1.00 0.00 C ATOM 1377 CG GLU A 89 -0.334 11.939 5.455 1.00 0.00 C ATOM 1378 CD GLU A 89 0.558 12.142 6.665 1.00 0.00 C ATOM 1379 OE1 GLU A 89 0.368 13.147 7.381 1.00 0.00 O ATOM 1380 OE2 GLU A 89 1.446 11.294 6.895 1.00 0.00 O ATOM 0 H GLU A 89 -2.546 11.929 4.367 1.00 0.00 H new ATOM 0 HA GLU A 89 -1.367 13.894 2.783 1.00 0.00 H new ATOM 0 HB2 GLU A 89 0.556 13.597 4.435 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -1.015 13.942 5.131 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -1.329 11.644 5.787 1.00 0.00 H new ATOM 0 HG3 GLU A 89 0.057 11.119 4.853 1.00 0.00 H new ATOM 1387 N SER A 90 -0.232 12.514 1.009 1.00 0.00 N ATOM 1388 CA SER A 90 0.644 11.911 0.008 1.00 0.00 C ATOM 1389 C SER A 90 0.237 12.346 -1.395 1.00 0.00 C ATOM 1390 O SER A 90 -0.790 11.910 -1.915 1.00 0.00 O ATOM 1391 CB SER A 90 0.604 10.384 0.112 1.00 0.00 C ATOM 1392 OG SER A 90 1.640 9.902 0.950 1.00 0.00 O ATOM 0 H SER A 90 -0.924 13.159 0.627 1.00 0.00 H new ATOM 0 HA SER A 90 1.662 12.252 0.198 1.00 0.00 H new ATOM 0 HB2 SER A 90 -0.362 10.068 0.505 1.00 0.00 H new ATOM 0 HB3 SER A 90 0.702 9.946 -0.881 1.00 0.00 H new ATOM 0 HG SER A 90 1.663 10.428 1.777 1.00 0.00 H new ATOM 1398 N PHE A 91 1.043 13.214 -2.002 1.00 0.00 N ATOM 1399 CA PHE A 91 0.768 13.718 -3.349 1.00 0.00 C ATOM 1400 C PHE A 91 -0.347 14.763 -3.330 1.00 0.00 C ATOM 1401 O PHE A 91 -0.204 15.841 -3.907 1.00 0.00 O ATOM 1402 CB PHE A 91 0.398 12.569 -4.295 1.00 0.00 C ATOM 1403 CG PHE A 91 1.325 12.440 -5.471 1.00 0.00 C ATOM 1404 CD1 PHE A 91 2.685 12.263 -5.282 1.00 0.00 C ATOM 1405 CD2 PHE A 91 0.833 12.498 -6.766 1.00 0.00 C ATOM 1406 CE1 PHE A 91 3.539 12.144 -6.362 1.00 0.00 C ATOM 1407 CE2 PHE A 91 1.683 12.379 -7.849 1.00 0.00 C ATOM 1408 CZ PHE A 91 3.038 12.200 -7.647 1.00 0.00 C ATOM 0 H PHE A 91 1.895 13.585 -1.582 1.00 0.00 H new ATOM 0 HA PHE A 91 1.678 14.194 -3.716 1.00 0.00 H new ATOM 0 HB2 PHE A 91 0.400 11.633 -3.736 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -0.618 12.721 -4.658 1.00 0.00 H new ATOM 0 HD1 PHE A 91 3.083 12.217 -4.279 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -0.225 12.638 -6.930 1.00 0.00 H new ATOM 0 HE1 PHE A 91 4.598 12.007 -6.201 1.00 0.00 H new ATOM 0 HE2 PHE A 91 1.288 12.426 -8.853 1.00 0.00 H new ATOM 0 HZ PHE A 91 3.703 12.104 -8.492 1.00 0.00 H new ATOM 1418 N VAL A 92 -1.456 14.440 -2.666 1.00 0.00 N ATOM 1419 CA VAL A 92 -2.597 15.348 -2.572 1.00 0.00 C ATOM 1420 C VAL A 92 -2.156 16.777 -2.263 1.00 0.00 C ATOM 1421 O VAL A 92 -2.815 17.740 -2.654 1.00 0.00 O ATOM 1422 CB VAL A 92 -3.592 14.883 -1.488 1.00 0.00 C ATOM 1423 CG1 VAL A 92 -4.107 13.485 -1.798 1.00 0.00 C ATOM 1424 CG2 VAL A 92 -2.945 14.923 -0.111 1.00 0.00 C ATOM 0 H VAL A 92 -1.588 13.551 -2.183 1.00 0.00 H new ATOM 0 HA VAL A 92 -3.089 15.333 -3.545 1.00 0.00 H new ATOM 0 HB VAL A 92 -4.440 15.568 -1.486 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.807 13.175 -1.022 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -4.613 13.490 -2.763 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.270 12.788 -1.831 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.664 14.591 0.638 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -2.077 14.264 -0.098 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.631 15.942 0.114 1.00 0.00 H new ATOM 1638 N THR B 4 -10.912 4.307 12.820 1.00 0.00 N ATOM 1639 CA THR B 4 -11.199 2.987 12.270 1.00 0.00 C ATOM 1640 C THR B 4 -9.921 2.192 12.055 1.00 0.00 C ATOM 1641 O THR B 4 -8.869 2.744 11.738 1.00 0.00 O ATOM 1642 CB THR B 4 -11.985 3.101 10.957 1.00 0.00 C ATOM 1643 OG1 THR B 4 -11.829 1.930 10.176 1.00 0.00 O ATOM 1644 CG2 THR B 4 -11.577 4.280 10.098 1.00 0.00 C ATOM 0 HA THR B 4 -11.813 2.453 12.995 1.00 0.00 H new ATOM 0 HB THR B 4 -13.021 3.244 11.263 1.00 0.00 H new ATOM 0 HG1 THR B 4 -11.286 2.134 9.386 1.00 0.00 H new ATOM 0 HG21 THR B 4 -12.177 4.292 9.188 1.00 0.00 H new ATOM 0 HG22 THR B 4 -11.737 5.206 10.651 1.00 0.00 H new ATOM 0 HG23 THR B 4 -10.523 4.192 9.836 1.00 0.00 H new ATOM 1652 N GLU B 5 -10.036 0.884 12.240 1.00 0.00 N ATOM 1653 CA GLU B 5 -8.913 -0.028 12.079 1.00 0.00 C ATOM 1654 C GLU B 5 -8.122 0.284 10.812 1.00 0.00 C ATOM 1655 O GLU B 5 -6.891 0.310 10.828 1.00 0.00 O ATOM 1656 CB GLU B 5 -9.439 -1.458 12.039 1.00 0.00 C ATOM 1657 CG GLU B 5 -8.591 -2.445 12.824 1.00 0.00 C ATOM 1658 CD GLU B 5 -9.401 -3.602 13.373 1.00 0.00 C ATOM 1659 OE1 GLU B 5 -9.880 -4.427 12.567 1.00 0.00 O ATOM 1660 OE2 GLU B 5 -9.556 -3.684 14.610 1.00 0.00 O ATOM 0 H GLU B 5 -10.908 0.427 12.505 1.00 0.00 H new ATOM 0 HA GLU B 5 -8.235 0.093 12.924 1.00 0.00 H new ATOM 0 HB2 GLU B 5 -10.455 -1.473 12.433 1.00 0.00 H new ATOM 0 HB3 GLU B 5 -9.495 -1.786 11.001 1.00 0.00 H new ATOM 0 HG2 GLU B 5 -7.801 -2.832 12.180 1.00 0.00 H new ATOM 0 HG3 GLU B 5 -8.103 -1.924 13.648 1.00 0.00 H new ATOM 1667 N THR B 6 -8.836 0.532 9.719 1.00 0.00 N ATOM 1668 CA THR B 6 -8.196 0.855 8.451 1.00 0.00 C ATOM 1669 C THR B 6 -7.530 2.224 8.529 1.00 0.00 C ATOM 1670 O THR B 6 -6.446 2.429 7.992 1.00 0.00 O ATOM 1671 CB THR B 6 -9.222 0.834 7.315 1.00 0.00 C ATOM 1672 OG1 THR B 6 -10.189 -0.178 7.531 1.00 0.00 O ATOM 1673 CG2 THR B 6 -8.605 0.593 5.952 1.00 0.00 C ATOM 0 H THR B 6 -9.855 0.515 9.686 1.00 0.00 H new ATOM 0 HA THR B 6 -7.433 0.104 8.247 1.00 0.00 H new ATOM 0 HB THR B 6 -9.677 1.825 7.321 1.00 0.00 H new ATOM 0 HG1 THR B 6 -10.517 -0.506 6.668 1.00 0.00 H new ATOM 0 HG21 THR B 6 -9.388 0.590 5.194 1.00 0.00 H new ATOM 0 HG22 THR B 6 -7.889 1.385 5.732 1.00 0.00 H new ATOM 0 HG23 THR B 6 -8.094 -0.370 5.949 1.00 0.00 H new ATOM 1681 N GLU B 7 -8.182 3.158 9.214 1.00 0.00 N ATOM 1682 CA GLU B 7 -7.647 4.508 9.362 1.00 0.00 C ATOM 1683 C GLU B 7 -6.213 4.465 9.881 1.00 0.00 C ATOM 1684 O GLU B 7 -5.369 5.262 9.472 1.00 0.00 O ATOM 1685 CB GLU B 7 -8.525 5.325 10.316 1.00 0.00 C ATOM 1686 CG GLU B 7 -9.268 6.464 9.634 1.00 0.00 C ATOM 1687 CD GLU B 7 -8.510 7.775 9.698 1.00 0.00 C ATOM 1688 OE1 GLU B 7 -8.619 8.473 10.728 1.00 0.00 O ATOM 1689 OE2 GLU B 7 -7.811 8.105 8.718 1.00 0.00 O ATOM 0 H GLU B 7 -9.079 3.006 9.675 1.00 0.00 H new ATOM 0 HA GLU B 7 -7.648 4.986 8.382 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -9.249 4.661 10.789 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -7.901 5.734 11.111 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -9.447 6.203 8.591 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -10.244 6.589 10.104 1.00 0.00 H new ATOM 1696 N ARG B 8 -5.944 3.521 10.773 1.00 0.00 N ATOM 1697 CA ARG B 8 -4.612 3.362 11.339 1.00 0.00 C ATOM 1698 C ARG B 8 -3.695 2.622 10.368 1.00 0.00 C ATOM 1699 O ARG B 8 -2.476 2.789 10.402 1.00 0.00 O ATOM 1700 CB ARG B 8 -4.683 2.608 12.667 1.00 0.00 C ATOM 1701 CG ARG B 8 -5.105 3.481 13.839 1.00 0.00 C ATOM 1702 CD ARG B 8 -6.606 3.409 14.078 1.00 0.00 C ATOM 1703 NE ARG B 8 -6.925 3.134 15.476 1.00 0.00 N ATOM 1704 CZ ARG B 8 -6.769 4.017 16.460 1.00 0.00 C ATOM 1705 NH1 ARG B 8 -6.297 5.231 16.203 1.00 0.00 N ATOM 1706 NH2 ARG B 8 -7.084 3.685 17.704 1.00 0.00 N ATOM 0 H ARG B 8 -6.632 2.853 11.120 1.00 0.00 H new ATOM 0 HA ARG B 8 -4.200 4.355 11.517 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -5.386 1.781 12.569 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -3.707 2.173 12.881 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -4.577 3.164 14.738 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -4.816 4.514 13.647 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -7.066 4.351 13.780 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -7.036 2.631 13.448 1.00 0.00 H new ATOM 0 HE ARG B 8 -7.289 2.211 15.713 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -6.052 5.491 15.248 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -6.180 5.904 16.961 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -7.446 2.753 17.907 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -6.965 4.361 18.458 1.00 0.00 H new ATOM 1719 N CYS B 9 -4.288 1.794 9.511 1.00 0.00 N ATOM 1720 CA CYS B 9 -3.519 1.021 8.542 1.00 0.00 C ATOM 1721 C CYS B 9 -2.899 1.923 7.475 1.00 0.00 C ATOM 1722 O CYS B 9 -1.715 1.796 7.160 1.00 0.00 O ATOM 1723 CB CYS B 9 -4.400 -0.070 7.904 1.00 0.00 C ATOM 1724 SG CYS B 9 -5.299 0.426 6.409 1.00 0.00 S ATOM 0 H CYS B 9 -5.296 1.642 9.469 1.00 0.00 H new ATOM 0 HA CYS B 9 -2.700 0.534 9.071 1.00 0.00 H new ATOM 0 HB2 CYS B 9 -3.769 -0.925 7.661 1.00 0.00 H new ATOM 0 HB3 CYS B 9 -5.123 -0.408 8.646 1.00 0.00 H new ATOM 0 HG CYS B 9 -5.961 1.520 6.644 1.00 0.00 H new ATOM 1730 N ILE B 10 -3.698 2.828 6.916 1.00 0.00 N ATOM 1731 CA ILE B 10 -3.213 3.731 5.885 1.00 0.00 C ATOM 1732 C ILE B 10 -2.084 4.606 6.409 1.00 0.00 C ATOM 1733 O ILE B 10 -0.986 4.613 5.857 1.00 0.00 O ATOM 1734 CB ILE B 10 -4.343 4.639 5.362 1.00 0.00 C ATOM 1735 CG1 ILE B 10 -5.586 3.815 5.027 1.00 0.00 C ATOM 1736 CG2 ILE B 10 -3.878 5.414 4.140 1.00 0.00 C ATOM 1737 CD1 ILE B 10 -6.741 4.057 5.966 1.00 0.00 C ATOM 0 H ILE B 10 -4.680 2.953 7.161 1.00 0.00 H new ATOM 0 HA ILE B 10 -2.842 3.111 5.069 1.00 0.00 H new ATOM 0 HB ILE B 10 -4.602 5.349 6.147 1.00 0.00 H new ATOM 0 HG12 ILE B 10 -5.901 4.046 4.009 1.00 0.00 H new ATOM 0 HG13 ILE B 10 -5.327 2.756 5.048 1.00 0.00 H new ATOM 0 HG21 ILE B 10 -4.688 6.050 3.783 1.00 0.00 H new ATOM 0 HG22 ILE B 10 -3.021 6.032 4.406 1.00 0.00 H new ATOM 0 HG23 ILE B 10 -3.592 4.716 3.354 1.00 0.00 H new ATOM 0 HD11 ILE B 10 -7.588 3.439 5.668 1.00 0.00 H new ATOM 0 HD12 ILE B 10 -6.444 3.799 6.982 1.00 0.00 H new ATOM 0 HD13 ILE B 10 -7.027 5.108 5.927 1.00 0.00 H new ATOM 1749 N GLU B 11 -2.357 5.342 7.480 1.00 0.00 N ATOM 1750 CA GLU B 11 -1.361 6.225 8.075 1.00 0.00 C ATOM 1751 C GLU B 11 -0.077 5.469 8.398 1.00 0.00 C ATOM 1752 O GLU B 11 1.006 6.051 8.428 1.00 0.00 O ATOM 1753 CB GLU B 11 -1.919 6.886 9.337 1.00 0.00 C ATOM 1754 CG GLU B 11 -2.090 8.390 9.204 1.00 0.00 C ATOM 1755 CD GLU B 11 -1.599 9.145 10.425 1.00 0.00 C ATOM 1756 OE1 GLU B 11 -0.507 8.809 10.931 1.00 0.00 O ATOM 1757 OE2 GLU B 11 -2.305 10.071 10.875 1.00 0.00 O ATOM 0 H GLU B 11 -3.260 5.345 7.954 1.00 0.00 H new ATOM 0 HA GLU B 11 -1.123 7.000 7.347 1.00 0.00 H new ATOM 0 HB2 GLU B 11 -2.883 6.438 9.577 1.00 0.00 H new ATOM 0 HB3 GLU B 11 -1.253 6.676 10.174 1.00 0.00 H new ATOM 0 HG2 GLU B 11 -1.547 8.737 8.325 1.00 0.00 H new ATOM 0 HG3 GLU B 11 -3.143 8.619 9.039 1.00 0.00 H new ATOM 1764 N SER B 12 -0.209 4.173 8.647 1.00 0.00 N ATOM 1765 CA SER B 12 0.939 3.340 8.977 1.00 0.00 C ATOM 1766 C SER B 12 1.946 3.281 7.830 1.00 0.00 C ATOM 1767 O SER B 12 3.126 3.571 8.018 1.00 0.00 O ATOM 1768 CB SER B 12 0.476 1.924 9.324 1.00 0.00 C ATOM 1769 OG SER B 12 1.199 1.405 10.427 1.00 0.00 O ATOM 0 H SER B 12 -1.100 3.676 8.627 1.00 0.00 H new ATOM 0 HA SER B 12 1.434 3.790 9.838 1.00 0.00 H new ATOM 0 HB2 SER B 12 -0.589 1.933 9.556 1.00 0.00 H new ATOM 0 HB3 SER B 12 0.609 1.273 8.460 1.00 0.00 H new ATOM 0 HG SER B 12 0.590 0.908 11.013 1.00 0.00 H new ATOM 1775 N LEU B 13 1.480 2.879 6.651 1.00 0.00 N ATOM 1776 CA LEU B 13 2.347 2.751 5.487 1.00 0.00 C ATOM 1777 C LEU B 13 2.796 4.102 4.927 1.00 0.00 C ATOM 1778 O LEU B 13 3.947 4.265 4.552 1.00 0.00 O ATOM 1779 CB LEU B 13 1.631 1.949 4.407 1.00 0.00 C ATOM 1780 CG LEU B 13 1.898 0.446 4.445 1.00 0.00 C ATOM 1781 CD1 LEU B 13 3.349 0.153 4.123 1.00 0.00 C ATOM 1782 CD2 LEU B 13 1.553 -0.139 5.799 1.00 0.00 C ATOM 0 H LEU B 13 0.505 2.636 6.478 1.00 0.00 H new ATOM 0 HA LEU B 13 3.249 2.231 5.810 1.00 0.00 H new ATOM 0 HB2 LEU B 13 0.558 2.116 4.501 1.00 0.00 H new ATOM 0 HB3 LEU B 13 1.929 2.333 3.431 1.00 0.00 H new ATOM 0 HG LEU B 13 1.261 -0.018 3.692 1.00 0.00 H new ATOM 0 HD11 LEU B 13 3.519 -0.923 4.155 1.00 0.00 H new ATOM 0 HD12 LEU B 13 3.583 0.528 3.127 1.00 0.00 H new ATOM 0 HD13 LEU B 13 3.990 0.644 4.855 1.00 0.00 H new ATOM 0 HD21 LEU B 13 1.754 -1.210 5.794 1.00 0.00 H new ATOM 0 HD22 LEU B 13 2.159 0.341 6.568 1.00 0.00 H new ATOM 0 HD23 LEU B 13 0.497 0.031 6.011 1.00 0.00 H new ATOM 1794 N ILE B 14 1.895 5.068 4.859 1.00 0.00 N ATOM 1795 CA ILE B 14 2.239 6.380 4.331 1.00 0.00 C ATOM 1796 C ILE B 14 3.398 7.001 5.065 1.00 0.00 C ATOM 1797 O ILE B 14 4.117 7.828 4.523 1.00 0.00 O ATOM 1798 CB ILE B 14 1.096 7.377 4.489 1.00 0.00 C ATOM 1799 CG1 ILE B 14 -0.244 6.787 4.108 1.00 0.00 C ATOM 1800 CG2 ILE B 14 1.385 8.606 3.671 1.00 0.00 C ATOM 1801 CD1 ILE B 14 -1.360 7.407 4.898 1.00 0.00 C ATOM 0 H ILE B 14 0.925 4.971 5.160 1.00 0.00 H new ATOM 0 HA ILE B 14 2.477 6.199 3.283 1.00 0.00 H new ATOM 0 HB ILE B 14 1.030 7.643 5.544 1.00 0.00 H new ATOM 0 HG12 ILE B 14 -0.421 6.940 3.043 1.00 0.00 H new ATOM 0 HG13 ILE B 14 -0.231 5.710 4.277 1.00 0.00 H new ATOM 0 HG21 ILE B 14 0.568 9.319 3.784 1.00 0.00 H new ATOM 0 HG22 ILE B 14 2.314 9.061 4.014 1.00 0.00 H new ATOM 0 HG23 ILE B 14 1.483 8.330 2.621 1.00 0.00 H new ATOM 0 HD11 ILE B 14 -2.309 6.961 4.600 1.00 0.00 H new ATOM 0 HD12 ILE B 14 -1.195 7.231 5.961 1.00 0.00 H new ATOM 0 HD13 ILE B 14 -1.388 8.480 4.708 1.00 0.00 H new ATOM 1813 N ALA B 15 3.521 6.648 6.319 1.00 0.00 N ATOM 1814 CA ALA B 15 4.528 7.230 7.169 1.00 0.00 C ATOM 1815 C ALA B 15 5.859 6.512 7.069 1.00 0.00 C ATOM 1816 O ALA B 15 6.913 7.146 7.142 1.00 0.00 O ATOM 1817 CB ALA B 15 3.978 7.275 8.572 1.00 0.00 C ATOM 0 H ALA B 15 2.930 5.954 6.777 1.00 0.00 H new ATOM 0 HA ALA B 15 4.750 8.245 6.840 1.00 0.00 H new ATOM 0 HB1 ALA B 15 4.720 7.712 9.240 1.00 0.00 H new ATOM 0 HB2 ALA B 15 3.073 7.882 8.589 1.00 0.00 H new ATOM 0 HB3 ALA B 15 3.743 6.264 8.903 1.00 0.00 H new ATOM 1823 N VAL B 16 5.826 5.207 6.844 1.00 0.00 N ATOM 1824 CA VAL B 16 7.052 4.460 6.671 1.00 0.00 C ATOM 1825 C VAL B 16 7.855 5.118 5.556 1.00 0.00 C ATOM 1826 O VAL B 16 9.086 5.119 5.561 1.00 0.00 O ATOM 1827 CB VAL B 16 6.760 3.001 6.287 1.00 0.00 C ATOM 1828 CG1 VAL B 16 5.820 2.359 7.278 1.00 0.00 C ATOM 1829 CG2 VAL B 16 6.161 2.937 4.904 1.00 0.00 C ATOM 0 H VAL B 16 4.972 4.653 6.778 1.00 0.00 H new ATOM 0 HA VAL B 16 7.608 4.461 7.609 1.00 0.00 H new ATOM 0 HB VAL B 16 7.703 2.454 6.299 1.00 0.00 H new ATOM 0 HG11 VAL B 16 5.630 1.327 6.983 1.00 0.00 H new ATOM 0 HG12 VAL B 16 6.271 2.376 8.270 1.00 0.00 H new ATOM 0 HG13 VAL B 16 4.880 2.910 7.297 1.00 0.00 H new ATOM 0 HG21 VAL B 16 5.958 1.898 4.643 1.00 0.00 H new ATOM 0 HG22 VAL B 16 5.230 3.504 4.884 1.00 0.00 H new ATOM 0 HG23 VAL B 16 6.861 3.362 4.184 1.00 0.00 H new ATOM 1839 N PHE B 17 7.116 5.696 4.608 1.00 0.00 N ATOM 1840 CA PHE B 17 7.714 6.391 3.475 1.00 0.00 C ATOM 1841 C PHE B 17 8.148 7.793 3.882 1.00 0.00 C ATOM 1842 O PHE B 17 9.315 8.149 3.755 1.00 0.00 O ATOM 1843 CB PHE B 17 6.734 6.490 2.302 1.00 0.00 C ATOM 1844 CG PHE B 17 5.781 5.335 2.186 1.00 0.00 C ATOM 1845 CD1 PHE B 17 6.242 4.029 2.216 1.00 0.00 C ATOM 1846 CD2 PHE B 17 4.423 5.558 2.038 1.00 0.00 C ATOM 1847 CE1 PHE B 17 5.365 2.967 2.102 1.00 0.00 C ATOM 1848 CE2 PHE B 17 3.542 4.502 1.923 1.00 0.00 C ATOM 1849 CZ PHE B 17 4.013 3.204 1.956 1.00 0.00 C ATOM 0 H PHE B 17 6.096 5.694 4.606 1.00 0.00 H new ATOM 0 HA PHE B 17 8.583 5.814 3.158 1.00 0.00 H new ATOM 0 HB2 PHE B 17 6.159 7.410 2.403 1.00 0.00 H new ATOM 0 HB3 PHE B 17 7.303 6.569 1.376 1.00 0.00 H new ATOM 0 HD1 PHE B 17 7.299 3.839 2.330 1.00 0.00 H new ATOM 0 HD2 PHE B 17 4.048 6.571 2.012 1.00 0.00 H new ATOM 0 HE1 PHE B 17 5.737 1.953 2.127 1.00 0.00 H new ATOM 0 HE2 PHE B 17 2.485 4.690 1.807 1.00 0.00 H new ATOM 0 HZ PHE B 17 3.325 2.376 1.868 1.00 0.00 H new ATOM 1859 N GLN B 18 7.195 8.590 4.363 1.00 0.00 N ATOM 1860 CA GLN B 18 7.479 9.967 4.775 1.00 0.00 C ATOM 1861 C GLN B 18 8.701 10.041 5.681 1.00 0.00 C ATOM 1862 O GLN B 18 9.420 11.039 5.680 1.00 0.00 O ATOM 1863 CB GLN B 18 6.279 10.567 5.512 1.00 0.00 C ATOM 1864 CG GLN B 18 4.955 10.310 4.826 1.00 0.00 C ATOM 1865 CD GLN B 18 4.597 11.386 3.830 1.00 0.00 C ATOM 1866 OE1 GLN B 18 3.936 12.370 4.163 1.00 0.00 O ATOM 1867 NE2 GLN B 18 5.038 11.197 2.594 1.00 0.00 N ATOM 0 H GLN B 18 6.221 8.308 4.477 1.00 0.00 H new ATOM 0 HA GLN B 18 7.679 10.537 3.868 1.00 0.00 H new ATOM 0 HB2 GLN B 18 6.241 10.157 6.521 1.00 0.00 H new ATOM 0 HB3 GLN B 18 6.425 11.643 5.610 1.00 0.00 H new ATOM 0 HG2 GLN B 18 4.995 9.347 4.316 1.00 0.00 H new ATOM 0 HG3 GLN B 18 4.169 10.240 5.577 1.00 0.00 H new ATOM 0 HE21 GLN B 18 5.582 10.364 2.368 1.00 0.00 H new ATOM 0 HE22 GLN B 18 4.833 11.884 1.869 1.00 0.00 H new ATOM 1876 N LYS B 19 8.936 8.988 6.453 1.00 0.00 N ATOM 1877 CA LYS B 19 10.079 8.964 7.352 1.00 0.00 C ATOM 1878 C LYS B 19 11.381 9.056 6.563 1.00 0.00 C ATOM 1879 O LYS B 19 12.224 9.909 6.834 1.00 0.00 O ATOM 1880 CB LYS B 19 10.064 7.684 8.190 1.00 0.00 C ATOM 1881 CG LYS B 19 10.785 7.816 9.522 1.00 0.00 C ATOM 1882 CD LYS B 19 10.020 8.711 10.483 1.00 0.00 C ATOM 1883 CE LYS B 19 8.868 7.968 11.138 1.00 0.00 C ATOM 1884 NZ LYS B 19 8.063 8.859 12.020 1.00 0.00 N ATOM 0 H LYS B 19 8.357 8.149 6.474 1.00 0.00 H new ATOM 0 HA LYS B 19 10.013 9.825 8.018 1.00 0.00 H new ATOM 0 HB2 LYS B 19 9.030 7.393 8.374 1.00 0.00 H new ATOM 0 HB3 LYS B 19 10.524 6.879 7.616 1.00 0.00 H new ATOM 0 HG2 LYS B 19 10.914 6.829 9.967 1.00 0.00 H new ATOM 0 HG3 LYS B 19 11.782 8.225 9.358 1.00 0.00 H new ATOM 0 HD2 LYS B 19 10.697 9.085 11.251 1.00 0.00 H new ATOM 0 HD3 LYS B 19 9.637 9.579 9.947 1.00 0.00 H new ATOM 0 HE2 LYS B 19 8.225 7.543 10.367 1.00 0.00 H new ATOM 0 HE3 LYS B 19 9.259 7.135 11.723 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 7.287 8.315 12.448 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 8.670 9.245 12.771 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 7.669 9.640 11.458 1.00 0.00 H new ATOM 1898 N TYR B 20 11.522 8.192 5.562 1.00 0.00 N ATOM 1899 CA TYR B 20 12.699 8.197 4.706 1.00 0.00 C ATOM 1900 C TYR B 20 12.564 9.291 3.658 1.00 0.00 C ATOM 1901 O TYR B 20 13.544 9.885 3.211 1.00 0.00 O ATOM 1902 CB TYR B 20 12.883 6.835 4.030 1.00 0.00 C ATOM 1903 CG TYR B 20 12.363 5.665 4.839 1.00 0.00 C ATOM 1904 CD1 TYR B 20 12.518 5.624 6.220 1.00 0.00 C ATOM 1905 CD2 TYR B 20 11.717 4.602 4.220 1.00 0.00 C ATOM 1906 CE1 TYR B 20 12.043 4.556 6.959 1.00 0.00 C ATOM 1907 CE2 TYR B 20 11.240 3.532 4.953 1.00 0.00 C ATOM 1908 CZ TYR B 20 11.405 3.514 6.321 1.00 0.00 C ATOM 1909 OH TYR B 20 10.931 2.450 7.054 1.00 0.00 O ATOM 0 H TYR B 20 10.833 7.479 5.325 1.00 0.00 H new ATOM 0 HA TYR B 20 13.578 8.393 5.319 1.00 0.00 H new ATOM 0 HB2 TYR B 20 12.376 6.849 3.065 1.00 0.00 H new ATOM 0 HB3 TYR B 20 13.943 6.681 3.830 1.00 0.00 H new ATOM 0 HD1 TYR B 20 13.017 6.439 6.723 1.00 0.00 H new ATOM 0 HD2 TYR B 20 11.585 4.612 3.148 1.00 0.00 H new ATOM 0 HE1 TYR B 20 12.171 4.538 8.031 1.00 0.00 H new ATOM 0 HE2 TYR B 20 10.740 2.714 4.456 1.00 0.00 H new ATOM 0 HH TYR B 20 10.507 1.802 6.453 1.00 0.00 H new ATOM 1919 N ALA B 21 11.317 9.512 3.259 1.00 0.00 N ATOM 1920 CA ALA B 21 10.965 10.488 2.244 1.00 0.00 C ATOM 1921 C ALA B 21 10.672 11.859 2.854 1.00 0.00 C ATOM 1922 O ALA B 21 10.021 12.697 2.230 1.00 0.00 O ATOM 1923 CB ALA B 21 9.756 9.963 1.483 1.00 0.00 C ATOM 0 H ALA B 21 10.514 9.010 3.638 1.00 0.00 H new ATOM 0 HA ALA B 21 11.807 10.625 1.566 1.00 0.00 H new ATOM 0 HB1 ALA B 21 9.471 10.680 0.713 1.00 0.00 H new ATOM 0 HB2 ALA B 21 10.005 9.010 1.017 1.00 0.00 H new ATOM 0 HB3 ALA B 21 8.924 9.823 2.173 1.00 0.00 H new ATOM 1929 N GLY B 22 11.158 12.084 4.073 1.00 0.00 N ATOM 1930 CA GLY B 22 10.935 13.355 4.736 1.00 0.00 C ATOM 1931 C GLY B 22 11.850 13.553 5.929 1.00 0.00 C ATOM 1932 O GLY B 22 12.843 12.841 6.082 1.00 0.00 O ATOM 0 H GLY B 22 11.701 11.409 4.611 1.00 0.00 H new ATOM 0 HA2 GLY B 22 11.090 14.165 4.024 1.00 0.00 H new ATOM 0 HA3 GLY B 22 9.897 13.414 5.064 1.00 0.00 H new ATOM 2006 N VAL B 28 8.293 15.213 -0.893 1.00 0.00 N ATOM 2007 CA VAL B 28 7.518 14.794 -2.054 1.00 0.00 C ATOM 2008 C VAL B 28 8.014 13.456 -2.601 1.00 0.00 C ATOM 2009 O VAL B 28 7.267 12.733 -3.261 1.00 0.00 O ATOM 2010 CB VAL B 28 7.573 15.851 -3.175 1.00 0.00 C ATOM 2011 CG1 VAL B 28 9.004 16.060 -3.649 1.00 0.00 C ATOM 2012 CG2 VAL B 28 6.670 15.452 -4.334 1.00 0.00 C ATOM 0 HA VAL B 28 6.486 14.681 -1.720 1.00 0.00 H new ATOM 0 HB VAL B 28 7.210 16.796 -2.772 1.00 0.00 H new ATOM 0 HG11 VAL B 28 9.019 16.810 -4.440 1.00 0.00 H new ATOM 0 HG12 VAL B 28 9.618 16.400 -2.815 1.00 0.00 H new ATOM 0 HG13 VAL B 28 9.401 15.120 -4.032 1.00 0.00 H new ATOM 0 HG21 VAL B 28 6.723 16.211 -5.115 1.00 0.00 H new ATOM 0 HG22 VAL B 28 6.997 14.494 -4.737 1.00 0.00 H new ATOM 0 HG23 VAL B 28 5.642 15.365 -3.981 1.00 0.00 H new ATOM 2022 N THR B 29 9.273 13.132 -2.325 1.00 0.00 N ATOM 2023 CA THR B 29 9.856 11.881 -2.794 1.00 0.00 C ATOM 2024 C THR B 29 10.748 11.253 -1.733 1.00 0.00 C ATOM 2025 O THR B 29 10.860 11.756 -0.615 1.00 0.00 O ATOM 2026 CB THR B 29 10.657 12.108 -4.075 1.00 0.00 C ATOM 2027 OG1 THR B 29 11.604 13.147 -3.901 1.00 0.00 O ATOM 2028 CG2 THR B 29 9.794 12.464 -5.263 1.00 0.00 C ATOM 0 H THR B 29 9.907 13.717 -1.781 1.00 0.00 H new ATOM 0 HA THR B 29 9.035 11.195 -3.002 1.00 0.00 H new ATOM 0 HB THR B 29 11.151 11.158 -4.278 1.00 0.00 H new ATOM 0 HG1 THR B 29 12.107 13.274 -4.733 1.00 0.00 H new ATOM 0 HG21 THR B 29 10.425 12.612 -6.140 1.00 0.00 H new ATOM 0 HG22 THR B 29 9.089 11.656 -5.456 1.00 0.00 H new ATOM 0 HG23 THR B 29 9.245 13.382 -5.052 1.00 0.00 H new ATOM 2036 N LEU B 30 11.380 10.148 -2.101 1.00 0.00 N ATOM 2037 CA LEU B 30 12.270 9.425 -1.200 1.00 0.00 C ATOM 2038 C LEU B 30 13.557 9.025 -1.935 1.00 0.00 C ATOM 2039 O LEU B 30 14.193 9.863 -2.571 1.00 0.00 O ATOM 2040 CB LEU B 30 11.543 8.192 -0.636 1.00 0.00 C ATOM 2041 CG LEU B 30 12.031 7.667 0.725 1.00 0.00 C ATOM 2042 CD1 LEU B 30 11.750 6.178 0.845 1.00 0.00 C ATOM 2043 CD2 LEU B 30 13.517 7.941 0.943 1.00 0.00 C ATOM 0 H LEU B 30 11.292 9.728 -3.026 1.00 0.00 H new ATOM 0 HA LEU B 30 12.549 10.071 -0.367 1.00 0.00 H new ATOM 0 HB2 LEU B 30 10.483 8.432 -0.548 1.00 0.00 H new ATOM 0 HB3 LEU B 30 11.628 7.384 -1.363 1.00 0.00 H new ATOM 0 HG LEU B 30 11.481 8.202 1.499 1.00 0.00 H new ATOM 0 HD11 LEU B 30 12.100 5.818 1.813 1.00 0.00 H new ATOM 0 HD12 LEU B 30 10.678 6.002 0.759 1.00 0.00 H new ATOM 0 HD13 LEU B 30 12.270 5.644 0.050 1.00 0.00 H new ATOM 0 HD21 LEU B 30 13.819 7.554 1.916 1.00 0.00 H new ATOM 0 HD22 LEU B 30 14.096 7.450 0.161 1.00 0.00 H new ATOM 0 HD23 LEU B 30 13.698 9.015 0.908 1.00 0.00 H new ATOM 2055 N SER B 31 13.935 7.750 -1.855 1.00 0.00 N ATOM 2056 CA SER B 31 15.130 7.256 -2.518 1.00 0.00 C ATOM 2057 C SER B 31 15.206 5.742 -2.366 1.00 0.00 C ATOM 2058 O SER B 31 15.049 5.214 -1.265 1.00 0.00 O ATOM 2059 CB SER B 31 16.382 7.925 -1.935 1.00 0.00 C ATOM 2060 OG SER B 31 17.358 6.967 -1.557 1.00 0.00 O ATOM 0 H SER B 31 13.423 7.039 -1.332 1.00 0.00 H new ATOM 0 HA SER B 31 15.081 7.503 -3.579 1.00 0.00 H new ATOM 0 HB2 SER B 31 16.807 8.607 -2.671 1.00 0.00 H new ATOM 0 HB3 SER B 31 16.105 8.524 -1.068 1.00 0.00 H new ATOM 0 HG SER B 31 18.198 7.423 -1.342 1.00 0.00 H new ATOM 2066 N LYS B 32 15.439 5.044 -3.471 1.00 0.00 N ATOM 2067 CA LYS B 32 15.522 3.588 -3.443 1.00 0.00 C ATOM 2068 C LYS B 32 16.458 3.126 -2.339 1.00 0.00 C ATOM 2069 O LYS B 32 16.159 2.177 -1.615 1.00 0.00 O ATOM 2070 CB LYS B 32 16.000 3.054 -4.795 1.00 0.00 C ATOM 2071 CG LYS B 32 17.342 3.617 -5.232 1.00 0.00 C ATOM 2072 CD LYS B 32 17.442 3.704 -6.747 1.00 0.00 C ATOM 2073 CE LYS B 32 18.355 4.838 -7.181 1.00 0.00 C ATOM 2074 NZ LYS B 32 18.011 5.338 -8.541 1.00 0.00 N ATOM 0 H LYS B 32 15.573 5.459 -4.393 1.00 0.00 H new ATOM 0 HA LYS B 32 14.526 3.194 -3.242 1.00 0.00 H new ATOM 0 HB2 LYS B 32 16.071 1.968 -4.742 1.00 0.00 H new ATOM 0 HB3 LYS B 32 15.253 3.288 -5.553 1.00 0.00 H new ATOM 0 HG2 LYS B 32 17.481 4.608 -4.799 1.00 0.00 H new ATOM 0 HG3 LYS B 32 18.145 2.987 -4.849 1.00 0.00 H new ATOM 0 HD2 LYS B 32 17.819 2.761 -7.142 1.00 0.00 H new ATOM 0 HD3 LYS B 32 16.449 3.853 -7.170 1.00 0.00 H new ATOM 0 HE2 LYS B 32 18.283 5.656 -6.464 1.00 0.00 H new ATOM 0 HE3 LYS B 32 19.390 4.495 -7.171 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 18.657 6.111 -8.800 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 18.104 4.564 -9.229 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 17.032 5.689 -8.545 1.00 0.00 H new ATOM 2088 N THR B 33 17.587 3.807 -2.207 1.00 0.00 N ATOM 2089 CA THR B 33 18.547 3.467 -1.186 1.00 0.00 C ATOM 2090 C THR B 33 18.079 3.927 0.186 1.00 0.00 C ATOM 2091 O THR B 33 18.192 3.191 1.163 1.00 0.00 O ATOM 2092 CB THR B 33 19.905 4.055 -1.521 1.00 0.00 C ATOM 2093 OG1 THR B 33 20.586 3.248 -2.466 1.00 0.00 O ATOM 2094 CG2 THR B 33 20.790 4.199 -0.314 1.00 0.00 C ATOM 0 H THR B 33 17.854 4.596 -2.796 1.00 0.00 H new ATOM 0 HA THR B 33 18.639 2.381 -1.155 1.00 0.00 H new ATOM 0 HB THR B 33 19.705 5.045 -1.931 1.00 0.00 H new ATOM 0 HG1 THR B 33 21.458 3.647 -2.669 1.00 0.00 H new ATOM 0 HG21 THR B 33 21.748 4.624 -0.614 1.00 0.00 H new ATOM 0 HG22 THR B 33 20.312 4.857 0.411 1.00 0.00 H new ATOM 0 HG23 THR B 33 20.953 3.220 0.137 1.00 0.00 H new ATOM 2102 N GLU B 34 17.544 5.141 0.262 1.00 0.00 N ATOM 2103 CA GLU B 34 17.055 5.658 1.531 1.00 0.00 C ATOM 2104 C GLU B 34 16.045 4.681 2.110 1.00 0.00 C ATOM 2105 O GLU B 34 15.902 4.556 3.325 1.00 0.00 O ATOM 2106 CB GLU B 34 16.417 7.035 1.346 1.00 0.00 C ATOM 2107 CG GLU B 34 17.386 8.186 1.555 1.00 0.00 C ATOM 2108 CD GLU B 34 16.720 9.408 2.158 1.00 0.00 C ATOM 2109 OE1 GLU B 34 16.109 9.276 3.240 1.00 0.00 O ATOM 2110 OE2 GLU B 34 16.810 10.494 1.550 1.00 0.00 O ATOM 0 H GLU B 34 17.440 5.776 -0.529 1.00 0.00 H new ATOM 0 HA GLU B 34 17.893 5.768 2.219 1.00 0.00 H new ATOM 0 HB2 GLU B 34 15.999 7.101 0.342 1.00 0.00 H new ATOM 0 HB3 GLU B 34 15.587 7.138 2.044 1.00 0.00 H new ATOM 0 HG2 GLU B 34 18.196 7.860 2.207 1.00 0.00 H new ATOM 0 HG3 GLU B 34 17.835 8.456 0.599 1.00 0.00 H new ATOM 2117 N PHE B 35 15.371 3.965 1.216 1.00 0.00 N ATOM 2118 CA PHE B 35 14.395 2.964 1.611 1.00 0.00 C ATOM 2119 C PHE B 35 15.101 1.668 1.992 1.00 0.00 C ATOM 2120 O PHE B 35 14.765 1.038 2.995 1.00 0.00 O ATOM 2121 CB PHE B 35 13.399 2.707 0.478 1.00 0.00 C ATOM 2122 CG PHE B 35 12.017 2.379 0.966 1.00 0.00 C ATOM 2123 CD1 PHE B 35 11.826 1.421 1.947 1.00 0.00 C ATOM 2124 CD2 PHE B 35 10.911 3.030 0.446 1.00 0.00 C ATOM 2125 CE1 PHE B 35 10.558 1.118 2.402 1.00 0.00 C ATOM 2126 CE2 PHE B 35 9.639 2.732 0.897 1.00 0.00 C ATOM 2127 CZ PHE B 35 9.462 1.774 1.876 1.00 0.00 C ATOM 0 H PHE B 35 15.486 4.063 0.207 1.00 0.00 H new ATOM 0 HA PHE B 35 13.846 3.337 2.475 1.00 0.00 H new ATOM 0 HB2 PHE B 35 13.351 3.588 -0.162 1.00 0.00 H new ATOM 0 HB3 PHE B 35 13.764 1.885 -0.138 1.00 0.00 H new ATOM 0 HD1 PHE B 35 12.679 0.904 2.361 1.00 0.00 H new ATOM 0 HD2 PHE B 35 11.044 3.779 -0.321 1.00 0.00 H new ATOM 0 HE1 PHE B 35 10.423 0.369 3.168 1.00 0.00 H new ATOM 0 HE2 PHE B 35 8.784 3.248 0.484 1.00 0.00 H new ATOM 0 HZ PHE B 35 8.469 1.538 2.229 1.00 0.00 H new ATOM 2137 N LEU B 36 16.087 1.274 1.184 1.00 0.00 N ATOM 2138 CA LEU B 36 16.836 0.057 1.436 1.00 0.00 C ATOM 2139 C LEU B 36 17.752 0.219 2.650 1.00 0.00 C ATOM 2140 O LEU B 36 18.118 -0.761 3.299 1.00 0.00 O ATOM 2141 CB LEU B 36 17.617 -0.309 0.176 1.00 0.00 C ATOM 2142 CG LEU B 36 19.085 0.100 0.135 1.00 0.00 C ATOM 2143 CD1 LEU B 36 19.976 -1.044 0.590 1.00 0.00 C ATOM 2144 CD2 LEU B 36 19.428 0.534 -1.276 1.00 0.00 C ATOM 0 H LEU B 36 16.380 1.785 0.351 1.00 0.00 H new ATOM 0 HA LEU B 36 16.150 -0.757 1.673 1.00 0.00 H new ATOM 0 HB2 LEU B 36 17.561 -1.389 0.044 1.00 0.00 H new ATOM 0 HB3 LEU B 36 17.114 0.143 -0.679 1.00 0.00 H new ATOM 0 HG LEU B 36 19.255 0.931 0.819 1.00 0.00 H new ATOM 0 HD11 LEU B 36 21.019 -0.730 0.553 1.00 0.00 H new ATOM 0 HD12 LEU B 36 19.717 -1.323 1.612 1.00 0.00 H new ATOM 0 HD13 LEU B 36 19.832 -1.901 -0.067 1.00 0.00 H new ATOM 0 HD21 LEU B 36 20.476 0.830 -1.321 1.00 0.00 H new ATOM 0 HD22 LEU B 36 19.255 -0.294 -1.964 1.00 0.00 H new ATOM 0 HD23 LEU B 36 18.800 1.379 -1.560 1.00 0.00 H new ATOM 2156 N SER B 37 18.104 1.464 2.957 1.00 0.00 N ATOM 2157 CA SER B 37 18.959 1.761 4.099 1.00 0.00 C ATOM 2158 C SER B 37 18.138 1.778 5.385 1.00 0.00 C ATOM 2159 O SER B 37 18.456 1.078 6.346 1.00 0.00 O ATOM 2160 CB SER B 37 19.659 3.107 3.905 1.00 0.00 C ATOM 2161 OG SER B 37 20.867 3.166 4.644 1.00 0.00 O ATOM 0 H SER B 37 17.809 2.285 2.428 1.00 0.00 H new ATOM 0 HA SER B 37 19.716 0.981 4.176 1.00 0.00 H new ATOM 0 HB2 SER B 37 19.869 3.262 2.847 1.00 0.00 H new ATOM 0 HB3 SER B 37 18.997 3.913 4.220 1.00 0.00 H new ATOM 0 HG SER B 37 21.296 4.036 4.501 1.00 0.00 H new ATOM 2167 N PHE B 38 17.073 2.577 5.388 1.00 0.00 N ATOM 2168 CA PHE B 38 16.200 2.678 6.550 1.00 0.00 C ATOM 2169 C PHE B 38 15.548 1.330 6.843 1.00 0.00 C ATOM 2170 O PHE B 38 15.349 0.960 7.997 1.00 0.00 O ATOM 2171 CB PHE B 38 15.123 3.746 6.321 1.00 0.00 C ATOM 2172 CG PHE B 38 15.225 4.908 7.268 1.00 0.00 C ATOM 2173 CD1 PHE B 38 14.596 4.871 8.501 1.00 0.00 C ATOM 2174 CD2 PHE B 38 15.951 6.037 6.924 1.00 0.00 C ATOM 2175 CE1 PHE B 38 14.688 5.938 9.375 1.00 0.00 C ATOM 2176 CE2 PHE B 38 16.047 7.108 7.792 1.00 0.00 C ATOM 2177 CZ PHE B 38 15.415 7.058 9.020 1.00 0.00 C ATOM 0 H PHE B 38 16.796 3.162 4.599 1.00 0.00 H new ATOM 0 HA PHE B 38 16.804 2.970 7.409 1.00 0.00 H new ATOM 0 HB2 PHE B 38 15.198 4.113 5.297 1.00 0.00 H new ATOM 0 HB3 PHE B 38 14.139 3.288 6.424 1.00 0.00 H new ATOM 0 HD1 PHE B 38 14.027 3.998 8.783 1.00 0.00 H new ATOM 0 HD2 PHE B 38 16.448 6.080 5.966 1.00 0.00 H new ATOM 0 HE1 PHE B 38 14.192 5.896 10.334 1.00 0.00 H new ATOM 0 HE2 PHE B 38 16.615 7.983 7.511 1.00 0.00 H new ATOM 0 HZ PHE B 38 15.489 7.893 9.701 1.00 0.00 H new ATOM 2187 N MET B 39 15.229 0.596 5.782 1.00 0.00 N ATOM 2188 CA MET B 39 14.608 -0.721 5.906 1.00 0.00 C ATOM 2189 C MET B 39 15.333 -1.573 6.949 1.00 0.00 C ATOM 2190 O MET B 39 14.709 -2.337 7.682 1.00 0.00 O ATOM 2191 CB MET B 39 14.625 -1.425 4.546 1.00 0.00 C ATOM 2192 CG MET B 39 14.120 -2.858 4.588 1.00 0.00 C ATOM 2193 SD MET B 39 13.125 -3.287 3.147 1.00 0.00 S ATOM 2194 CE MET B 39 11.644 -2.328 3.458 1.00 0.00 C ATOM 0 H MET B 39 15.391 0.892 4.820 1.00 0.00 H new ATOM 0 HA MET B 39 13.577 -0.590 6.236 1.00 0.00 H new ATOM 0 HB2 MET B 39 14.014 -0.855 3.845 1.00 0.00 H new ATOM 0 HB3 MET B 39 15.644 -1.420 4.158 1.00 0.00 H new ATOM 0 HG2 MET B 39 14.970 -3.537 4.653 1.00 0.00 H new ATOM 0 HG3 MET B 39 13.527 -3.004 5.491 1.00 0.00 H new ATOM 0 HE1 MET B 39 11.337 -1.825 2.541 1.00 0.00 H new ATOM 0 HE2 MET B 39 10.846 -2.990 3.793 1.00 0.00 H new ATOM 0 HE3 MET B 39 11.847 -1.585 4.229 1.00 0.00 H new ATOM 2204 N ASN B 40 16.650 -1.438 7.005 1.00 0.00 N ATOM 2205 CA ASN B 40 17.465 -2.199 7.948 1.00 0.00 C ATOM 2206 C ASN B 40 17.143 -1.847 9.402 1.00 0.00 C ATOM 2207 O ASN B 40 17.476 -2.604 10.314 1.00 0.00 O ATOM 2208 CB ASN B 40 18.950 -1.955 7.674 1.00 0.00 C ATOM 2209 CG ASN B 40 19.466 -2.774 6.508 1.00 0.00 C ATOM 2210 OD1 ASN B 40 19.989 -3.873 6.690 1.00 0.00 O ATOM 2211 ND2 ASN B 40 19.321 -2.240 5.300 1.00 0.00 N ATOM 0 H ASN B 40 17.182 -0.806 6.406 1.00 0.00 H new ATOM 0 HA ASN B 40 17.231 -3.254 7.803 1.00 0.00 H new ATOM 0 HB2 ASN B 40 19.109 -0.896 7.469 1.00 0.00 H new ATOM 0 HB3 ASN B 40 19.526 -2.197 8.567 1.00 0.00 H new ATOM 0 HD21 ASN B 40 19.649 -2.745 4.477 1.00 0.00 H new ATOM 0 HD22 ASN B 40 18.881 -1.326 5.196 1.00 0.00 H new ATOM 2218 N THR B 41 16.522 -0.692 9.621 1.00 0.00 N ATOM 2219 CA THR B 41 16.195 -0.252 10.976 1.00 0.00 C ATOM 2220 C THR B 41 14.884 -0.850 11.487 1.00 0.00 C ATOM 2221 O THR B 41 14.715 -1.040 12.691 1.00 0.00 O ATOM 2222 CB THR B 41 16.123 1.277 11.039 1.00 0.00 C ATOM 2223 OG1 THR B 41 16.235 1.731 12.375 1.00 0.00 O ATOM 2224 CG2 THR B 41 14.849 1.859 10.465 1.00 0.00 C ATOM 0 H THR B 41 16.236 -0.047 8.884 1.00 0.00 H new ATOM 0 HA THR B 41 16.995 -0.611 11.624 1.00 0.00 H new ATOM 0 HB THR B 41 16.958 1.619 10.428 1.00 0.00 H new ATOM 0 HG1 THR B 41 16.188 2.710 12.393 1.00 0.00 H new ATOM 0 HG21 THR B 41 14.876 2.946 10.547 1.00 0.00 H new ATOM 0 HG22 THR B 41 14.760 1.577 9.416 1.00 0.00 H new ATOM 0 HG23 THR B 41 13.992 1.474 11.018 1.00 0.00 H new ATOM 2232 N GLU B 42 13.946 -1.110 10.583 1.00 0.00 N ATOM 2233 CA GLU B 42 12.648 -1.644 10.989 1.00 0.00 C ATOM 2234 C GLU B 42 12.182 -2.793 10.092 1.00 0.00 C ATOM 2235 O GLU B 42 11.590 -3.760 10.571 1.00 0.00 O ATOM 2236 CB GLU B 42 11.604 -0.523 10.981 1.00 0.00 C ATOM 2237 CG GLU B 42 12.187 0.861 11.245 1.00 0.00 C ATOM 2238 CD GLU B 42 11.245 1.748 12.037 1.00 0.00 C ATOM 2239 OE1 GLU B 42 10.597 1.238 12.975 1.00 0.00 O ATOM 2240 OE2 GLU B 42 11.155 2.952 11.717 1.00 0.00 O ATOM 0 H GLU B 42 14.055 -0.963 9.580 1.00 0.00 H new ATOM 0 HA GLU B 42 12.761 -2.045 11.996 1.00 0.00 H new ATOM 0 HB2 GLU B 42 11.099 -0.516 10.015 1.00 0.00 H new ATOM 0 HB3 GLU B 42 10.847 -0.738 11.735 1.00 0.00 H new ATOM 0 HG2 GLU B 42 13.126 0.758 11.788 1.00 0.00 H new ATOM 0 HG3 GLU B 42 12.419 1.341 10.294 1.00 0.00 H new ATOM 2247 N LEU B 43 12.448 -2.684 8.796 1.00 0.00 N ATOM 2248 CA LEU B 43 12.049 -3.717 7.845 1.00 0.00 C ATOM 2249 C LEU B 43 13.257 -4.540 7.427 1.00 0.00 C ATOM 2250 O LEU B 43 13.379 -4.962 6.277 1.00 0.00 O ATOM 2251 CB LEU B 43 11.384 -3.082 6.622 1.00 0.00 C ATOM 2252 CG LEU B 43 9.922 -2.683 6.822 1.00 0.00 C ATOM 2253 CD1 LEU B 43 9.326 -2.149 5.528 1.00 0.00 C ATOM 2254 CD2 LEU B 43 9.122 -3.871 7.329 1.00 0.00 C ATOM 0 H LEU B 43 12.938 -1.892 8.379 1.00 0.00 H new ATOM 0 HA LEU B 43 11.328 -4.378 8.326 1.00 0.00 H new ATOM 0 HB2 LEU B 43 11.952 -2.197 6.336 1.00 0.00 H new ATOM 0 HB3 LEU B 43 11.444 -3.782 5.789 1.00 0.00 H new ATOM 0 HG LEU B 43 9.878 -1.888 7.566 1.00 0.00 H new ATOM 0 HD11 LEU B 43 8.285 -1.871 5.694 1.00 0.00 H new ATOM 0 HD12 LEU B 43 9.888 -1.273 5.203 1.00 0.00 H new ATOM 0 HD13 LEU B 43 9.378 -2.919 4.759 1.00 0.00 H new ATOM 0 HD21 LEU B 43 8.082 -3.576 7.468 1.00 0.00 H new ATOM 0 HD22 LEU B 43 9.175 -4.682 6.603 1.00 0.00 H new ATOM 0 HD23 LEU B 43 9.534 -4.208 8.280 1.00 0.00 H new ATOM 2266 N ALA B 44 14.151 -4.753 8.381 1.00 0.00 N ATOM 2267 CA ALA B 44 15.369 -5.510 8.144 1.00 0.00 C ATOM 2268 C ALA B 44 15.097 -7.007 8.162 1.00 0.00 C ATOM 2269 O ALA B 44 15.662 -7.760 7.370 1.00 0.00 O ATOM 2270 CB ALA B 44 16.412 -5.141 9.184 1.00 0.00 C ATOM 0 H ALA B 44 14.053 -4.408 9.336 1.00 0.00 H new ATOM 0 HA ALA B 44 15.749 -5.257 7.154 1.00 0.00 H new ATOM 0 HB1 ALA B 44 17.324 -5.711 9.003 1.00 0.00 H new ATOM 0 HB2 ALA B 44 16.631 -4.075 9.118 1.00 0.00 H new ATOM 0 HB3 ALA B 44 16.031 -5.372 10.179 1.00 0.00 H new ATOM 2276 N ALA B 45 14.218 -7.430 9.063 1.00 0.00 N ATOM 2277 CA ALA B 45 13.860 -8.838 9.176 1.00 0.00 C ATOM 2278 C ALA B 45 13.404 -9.392 7.827 1.00 0.00 C ATOM 2279 O ALA B 45 13.482 -10.595 7.578 1.00 0.00 O ATOM 2280 CB ALA B 45 12.771 -9.015 10.223 1.00 0.00 C ATOM 0 H ALA B 45 13.741 -6.818 9.725 1.00 0.00 H new ATOM 0 HA ALA B 45 14.742 -9.397 9.488 1.00 0.00 H new ATOM 0 HB1 ALA B 45 12.509 -10.070 10.301 1.00 0.00 H new ATOM 0 HB2 ALA B 45 13.132 -8.658 11.188 1.00 0.00 H new ATOM 0 HB3 ALA B 45 11.890 -8.443 9.932 1.00 0.00 H new ATOM 2286 N PHE B 46 12.929 -8.499 6.963 1.00 0.00 N ATOM 2287 CA PHE B 46 12.459 -8.884 5.638 1.00 0.00 C ATOM 2288 C PHE B 46 13.522 -8.594 4.581 1.00 0.00 C ATOM 2289 O PHE B 46 13.205 -8.364 3.413 1.00 0.00 O ATOM 2290 CB PHE B 46 11.166 -8.136 5.304 1.00 0.00 C ATOM 2291 CG PHE B 46 10.239 -7.989 6.478 1.00 0.00 C ATOM 2292 CD1 PHE B 46 10.352 -6.906 7.335 1.00 0.00 C ATOM 2293 CD2 PHE B 46 9.259 -8.937 6.730 1.00 0.00 C ATOM 2294 CE1 PHE B 46 9.505 -6.770 8.418 1.00 0.00 C ATOM 2295 CE2 PHE B 46 8.410 -8.805 7.812 1.00 0.00 C ATOM 2296 CZ PHE B 46 8.533 -7.720 8.657 1.00 0.00 C ATOM 0 H PHE B 46 12.860 -7.500 7.159 1.00 0.00 H new ATOM 0 HA PHE B 46 12.261 -9.956 5.640 1.00 0.00 H new ATOM 0 HB2 PHE B 46 11.416 -7.146 4.922 1.00 0.00 H new ATOM 0 HB3 PHE B 46 10.646 -8.664 4.504 1.00 0.00 H new ATOM 0 HD1 PHE B 46 11.111 -6.159 7.154 1.00 0.00 H new ATOM 0 HD2 PHE B 46 9.158 -9.788 6.073 1.00 0.00 H new ATOM 0 HE1 PHE B 46 9.604 -5.920 9.077 1.00 0.00 H new ATOM 0 HE2 PHE B 46 7.650 -9.550 7.997 1.00 0.00 H new ATOM 0 HZ PHE B 46 7.870 -7.615 9.503 1.00 0.00 H new ATOM 2306 N THR B 47 14.786 -8.604 5.000 1.00 0.00 N ATOM 2307 CA THR B 47 15.901 -8.341 4.093 1.00 0.00 C ATOM 2308 C THR B 47 17.170 -9.045 4.566 1.00 0.00 C ATOM 2309 O THR B 47 17.910 -9.615 3.765 1.00 0.00 O ATOM 2310 CB THR B 47 16.158 -6.837 3.986 1.00 0.00 C ATOM 2311 OG1 THR B 47 16.489 -6.293 5.250 1.00 0.00 O ATOM 2312 CG2 THR B 47 14.974 -6.063 3.450 1.00 0.00 C ATOM 0 H THR B 47 15.064 -8.792 5.963 1.00 0.00 H new ATOM 0 HA THR B 47 15.631 -8.731 3.112 1.00 0.00 H new ATOM 0 HB THR B 47 16.985 -6.736 3.284 1.00 0.00 H new ATOM 0 HG1 THR B 47 16.182 -6.898 5.957 1.00 0.00 H new ATOM 0 HG21 THR B 47 15.224 -5.003 3.400 1.00 0.00 H new ATOM 0 HG22 THR B 47 14.725 -6.424 2.452 1.00 0.00 H new ATOM 0 HG23 THR B 47 14.119 -6.203 4.111 1.00 0.00 H new ATOM 2428 N VAL B 55 12.850 -10.574 -3.134 1.00 0.00 N ATOM 2429 CA VAL B 55 11.963 -9.728 -2.338 1.00 0.00 C ATOM 2430 C VAL B 55 12.413 -8.270 -2.370 1.00 0.00 C ATOM 2431 O VAL B 55 11.638 -7.380 -2.724 1.00 0.00 O ATOM 2432 CB VAL B 55 11.885 -10.208 -0.873 1.00 0.00 C ATOM 2433 CG1 VAL B 55 11.011 -9.280 -0.043 1.00 0.00 C ATOM 2434 CG2 VAL B 55 11.365 -11.635 -0.808 1.00 0.00 C ATOM 0 HA VAL B 55 10.972 -9.804 -2.785 1.00 0.00 H new ATOM 0 HB VAL B 55 12.891 -10.187 -0.454 1.00 0.00 H new ATOM 0 HG11 VAL B 55 10.972 -9.640 0.985 1.00 0.00 H new ATOM 0 HG12 VAL B 55 11.430 -8.274 -0.060 1.00 0.00 H new ATOM 0 HG13 VAL B 55 10.004 -9.260 -0.459 1.00 0.00 H new ATOM 0 HG21 VAL B 55 11.316 -11.958 0.232 1.00 0.00 H new ATOM 0 HG22 VAL B 55 10.369 -11.680 -1.249 1.00 0.00 H new ATOM 0 HG23 VAL B 55 12.036 -12.292 -1.361 1.00 0.00 H new ATOM 2444 N LEU B 56 13.666 -8.028 -2.006 1.00 0.00 N ATOM 2445 CA LEU B 56 14.209 -6.681 -2.004 1.00 0.00 C ATOM 2446 C LEU B 56 14.361 -6.175 -3.429 1.00 0.00 C ATOM 2447 O LEU B 56 13.903 -5.087 -3.773 1.00 0.00 O ATOM 2448 CB LEU B 56 15.572 -6.669 -1.313 1.00 0.00 C ATOM 2449 CG LEU B 56 16.515 -5.574 -1.802 1.00 0.00 C ATOM 2450 CD1 LEU B 56 17.322 -5.005 -0.657 1.00 0.00 C ATOM 2451 CD2 LEU B 56 17.431 -6.090 -2.903 1.00 0.00 C ATOM 0 H LEU B 56 14.323 -8.749 -1.709 1.00 0.00 H new ATOM 0 HA LEU B 56 13.523 -6.029 -1.463 1.00 0.00 H new ATOM 0 HB2 LEU B 56 15.421 -6.550 -0.240 1.00 0.00 H new ATOM 0 HB3 LEU B 56 16.050 -7.637 -1.462 1.00 0.00 H new ATOM 0 HG LEU B 56 15.906 -4.773 -2.220 1.00 0.00 H new ATOM 0 HD11 LEU B 56 17.986 -4.226 -1.032 1.00 0.00 H new ATOM 0 HD12 LEU B 56 16.648 -4.580 0.087 1.00 0.00 H new ATOM 0 HD13 LEU B 56 17.914 -5.798 -0.200 1.00 0.00 H new ATOM 0 HD21 LEU B 56 18.092 -5.288 -3.232 1.00 0.00 H new ATOM 0 HD22 LEU B 56 18.028 -6.918 -2.521 1.00 0.00 H new ATOM 0 HD23 LEU B 56 16.830 -6.433 -3.745 1.00 0.00 H new ATOM 2463 N ASP B 57 15.019 -6.975 -4.251 1.00 0.00 N ATOM 2464 CA ASP B 57 15.251 -6.617 -5.641 1.00 0.00 C ATOM 2465 C ASP B 57 13.936 -6.284 -6.336 1.00 0.00 C ATOM 2466 O ASP B 57 13.911 -5.509 -7.288 1.00 0.00 O ATOM 2467 CB ASP B 57 15.955 -7.763 -6.367 1.00 0.00 C ATOM 2468 CG ASP B 57 17.002 -7.271 -7.348 1.00 0.00 C ATOM 2469 OD1 ASP B 57 17.483 -6.130 -7.181 1.00 0.00 O ATOM 2470 OD2 ASP B 57 17.341 -8.026 -8.283 1.00 0.00 O ATOM 0 H ASP B 57 15.403 -7.880 -3.979 1.00 0.00 H new ATOM 0 HA ASP B 57 15.889 -5.734 -5.669 1.00 0.00 H new ATOM 0 HB2 ASP B 57 16.427 -8.418 -5.634 1.00 0.00 H new ATOM 0 HB3 ASP B 57 15.215 -8.361 -6.899 1.00 0.00 H new ATOM 2475 N ARG B 58 12.843 -6.862 -5.846 1.00 0.00 N ATOM 2476 CA ARG B 58 11.528 -6.610 -6.416 1.00 0.00 C ATOM 2477 C ARG B 58 11.192 -5.123 -6.355 1.00 0.00 C ATOM 2478 O ARG B 58 10.847 -4.515 -7.367 1.00 0.00 O ATOM 2479 CB ARG B 58 10.464 -7.416 -5.673 1.00 0.00 C ATOM 2480 CG ARG B 58 9.154 -7.523 -6.431 1.00 0.00 C ATOM 2481 CD ARG B 58 8.278 -8.636 -5.882 1.00 0.00 C ATOM 2482 NE ARG B 58 6.890 -8.508 -6.321 1.00 0.00 N ATOM 2483 CZ ARG B 58 6.014 -9.509 -6.316 1.00 0.00 C ATOM 2484 NH1 ARG B 58 6.376 -10.715 -5.895 1.00 0.00 N ATOM 2485 NH2 ARG B 58 4.773 -9.305 -6.733 1.00 0.00 N ATOM 0 H ARG B 58 12.844 -7.507 -5.056 1.00 0.00 H new ATOM 0 HA ARG B 58 11.543 -6.922 -7.460 1.00 0.00 H new ATOM 0 HB2 ARG B 58 10.847 -8.418 -5.479 1.00 0.00 H new ATOM 0 HB3 ARG B 58 10.278 -6.953 -4.704 1.00 0.00 H new ATOM 0 HG2 ARG B 58 8.619 -6.575 -6.370 1.00 0.00 H new ATOM 0 HG3 ARG B 58 9.358 -7.707 -7.486 1.00 0.00 H new ATOM 0 HD2 ARG B 58 8.672 -9.600 -6.204 1.00 0.00 H new ATOM 0 HD3 ARG B 58 8.316 -8.623 -4.793 1.00 0.00 H new ATOM 0 HE ARG B 58 6.574 -7.596 -6.651 1.00 0.00 H new ATOM 0 HH11 ARG B 58 7.330 -10.878 -5.573 1.00 0.00 H new ATOM 0 HH12 ARG B 58 5.700 -11.479 -5.893 1.00 0.00 H new ATOM 0 HH21 ARG B 58 4.490 -8.381 -7.058 1.00 0.00 H new ATOM 0 HH22 ARG B 58 4.101 -10.072 -6.729 1.00 0.00 H new ATOM 2498 N MET B 59 11.298 -4.541 -5.163 1.00 0.00 N ATOM 2499 CA MET B 59 11.004 -3.122 -4.986 1.00 0.00 C ATOM 2500 C MET B 59 11.934 -2.277 -5.845 1.00 0.00 C ATOM 2501 O MET B 59 11.484 -1.444 -6.632 1.00 0.00 O ATOM 2502 CB MET B 59 11.124 -2.729 -3.506 1.00 0.00 C ATOM 2503 CG MET B 59 12.531 -2.381 -3.036 1.00 0.00 C ATOM 2504 SD MET B 59 12.578 -1.681 -1.372 1.00 0.00 S ATOM 2505 CE MET B 59 11.227 -2.550 -0.601 1.00 0.00 C ATOM 0 H MET B 59 11.583 -5.026 -4.312 1.00 0.00 H new ATOM 0 HA MET B 59 9.979 -2.937 -5.306 1.00 0.00 H new ATOM 0 HB2 MET B 59 10.475 -1.873 -3.321 1.00 0.00 H new ATOM 0 HB3 MET B 59 10.749 -3.552 -2.897 1.00 0.00 H new ATOM 0 HG2 MET B 59 13.147 -3.280 -3.062 1.00 0.00 H new ATOM 0 HG3 MET B 59 12.974 -1.670 -3.734 1.00 0.00 H new ATOM 0 HE1 MET B 59 10.683 -1.869 0.054 1.00 0.00 H new ATOM 0 HE2 MET B 59 10.554 -2.931 -1.369 1.00 0.00 H new ATOM 0 HE3 MET B 59 11.617 -3.383 -0.015 1.00 0.00 H new ATOM 2515 N MET B 60 13.229 -2.500 -5.686 1.00 0.00 N ATOM 2516 CA MET B 60 14.229 -1.760 -6.447 1.00 0.00 C ATOM 2517 C MET B 60 14.046 -1.987 -7.943 1.00 0.00 C ATOM 2518 O MET B 60 14.313 -1.100 -8.754 1.00 0.00 O ATOM 2519 CB MET B 60 15.640 -2.171 -6.022 1.00 0.00 C ATOM 2520 CG MET B 60 16.172 -1.363 -4.849 1.00 0.00 C ATOM 2521 SD MET B 60 16.845 -2.395 -3.542 1.00 0.00 S ATOM 2522 CE MET B 60 15.415 -2.478 -2.480 1.00 0.00 C ATOM 0 H MET B 60 13.614 -3.187 -5.038 1.00 0.00 H new ATOM 0 HA MET B 60 14.095 -0.699 -6.238 1.00 0.00 H new ATOM 0 HB2 MET B 60 15.639 -3.228 -5.756 1.00 0.00 H new ATOM 0 HB3 MET B 60 16.316 -2.057 -6.870 1.00 0.00 H new ATOM 0 HG2 MET B 60 16.946 -0.683 -5.204 1.00 0.00 H new ATOM 0 HG3 MET B 60 15.369 -0.748 -4.443 1.00 0.00 H new ATOM 0 HE1 MET B 60 15.733 -2.675 -1.456 1.00 0.00 H new ATOM 0 HE2 MET B 60 14.879 -1.530 -2.517 1.00 0.00 H new ATOM 0 HE3 MET B 60 14.758 -3.280 -2.816 1.00 0.00 H new ATOM 2670 N GLN B 70 13.549 10.660 -8.575 1.00 0.00 N ATOM 2671 CA GLN B 70 13.525 10.191 -7.197 1.00 0.00 C ATOM 2672 C GLN B 70 12.429 9.147 -7.006 1.00 0.00 C ATOM 2673 O GLN B 70 11.813 8.704 -7.975 1.00 0.00 O ATOM 2674 CB GLN B 70 13.299 11.371 -6.247 1.00 0.00 C ATOM 2675 CG GLN B 70 14.586 12.032 -5.785 1.00 0.00 C ATOM 2676 CD GLN B 70 15.216 11.308 -4.615 1.00 0.00 C ATOM 2677 OE1 GLN B 70 15.632 10.068 -4.845 1.00 0.00 O flip ATOM 2678 NE2 GLN B 70 15.329 11.854 -3.518 1.00 0.00 N flip ATOM 0 HA GLN B 70 14.486 9.729 -6.970 1.00 0.00 H new ATOM 0 HB2 GLN B 70 12.677 12.114 -6.745 1.00 0.00 H new ATOM 0 HB3 GLN B 70 12.745 11.024 -5.375 1.00 0.00 H new ATOM 0 HG2 GLN B 70 15.293 12.063 -6.614 1.00 0.00 H new ATOM 0 HG3 GLN B 70 14.380 13.064 -5.502 1.00 0.00 H new ATOM 0 HE21 GLN B 70 14.995 12.809 -3.387 1.00 0.00 H new ATOM 0 HE22 GLN B 70 15.757 11.352 -2.740 1.00 0.00 H new ATOM 2687 N LEU B 71 12.178 8.767 -5.754 1.00 0.00 N ATOM 2688 CA LEU B 71 11.144 7.798 -5.452 1.00 0.00 C ATOM 2689 C LEU B 71 9.785 8.389 -5.860 1.00 0.00 C ATOM 2690 O LEU B 71 9.697 9.068 -6.882 1.00 0.00 O ATOM 2691 CB LEU B 71 11.206 7.431 -3.950 1.00 0.00 C ATOM 2692 CG LEU B 71 11.861 6.084 -3.587 1.00 0.00 C ATOM 2693 CD1 LEU B 71 10.804 5.017 -3.330 1.00 0.00 C ATOM 2694 CD2 LEU B 71 12.844 5.630 -4.660 1.00 0.00 C ATOM 0 H LEU B 71 12.680 9.119 -4.939 1.00 0.00 H new ATOM 0 HA LEU B 71 11.291 6.875 -6.014 1.00 0.00 H new ATOM 0 HB2 LEU B 71 11.746 8.222 -3.430 1.00 0.00 H new ATOM 0 HB3 LEU B 71 10.189 7.430 -3.559 1.00 0.00 H new ATOM 0 HG LEU B 71 12.427 6.232 -2.667 1.00 0.00 H new ATOM 0 HD11 LEU B 71 11.291 4.076 -3.076 1.00 0.00 H new ATOM 0 HD12 LEU B 71 10.165 5.329 -2.504 1.00 0.00 H new ATOM 0 HD13 LEU B 71 10.198 4.882 -4.226 1.00 0.00 H new ATOM 0 HD21 LEU B 71 13.286 4.677 -4.369 1.00 0.00 H new ATOM 0 HD22 LEU B 71 12.319 5.512 -5.608 1.00 0.00 H new ATOM 0 HD23 LEU B 71 13.631 6.376 -4.771 1.00 0.00 H new ATOM 2706 N ASP B 72 8.743 8.170 -5.066 1.00 0.00 N ATOM 2707 CA ASP B 72 7.417 8.722 -5.369 1.00 0.00 C ATOM 2708 C ASP B 72 6.333 8.059 -4.529 1.00 0.00 C ATOM 2709 O ASP B 72 6.600 7.142 -3.753 1.00 0.00 O ATOM 2710 CB ASP B 72 7.064 8.624 -6.864 1.00 0.00 C ATOM 2711 CG ASP B 72 7.486 7.320 -7.507 1.00 0.00 C ATOM 2712 OD1 ASP B 72 6.687 6.360 -7.481 1.00 0.00 O ATOM 2713 OD2 ASP B 72 8.610 7.261 -8.049 1.00 0.00 O ATOM 0 H ASP B 72 8.785 7.617 -4.210 1.00 0.00 H new ATOM 0 HA ASP B 72 7.463 9.780 -5.111 1.00 0.00 H new ATOM 0 HB2 ASP B 72 5.987 8.745 -6.982 1.00 0.00 H new ATOM 0 HB3 ASP B 72 7.538 9.450 -7.395 1.00 0.00 H new ATOM 2718 N PHE B 73 5.112 8.561 -4.675 1.00 0.00 N ATOM 2719 CA PHE B 73 3.966 8.080 -3.911 1.00 0.00 C ATOM 2720 C PHE B 73 3.861 6.550 -3.854 1.00 0.00 C ATOM 2721 O PHE B 73 3.916 5.973 -2.766 1.00 0.00 O ATOM 2722 CB PHE B 73 2.678 8.715 -4.452 1.00 0.00 C ATOM 2723 CG PHE B 73 1.941 7.891 -5.472 1.00 0.00 C ATOM 2724 CD1 PHE B 73 1.049 6.906 -5.076 1.00 0.00 C ATOM 2725 CD2 PHE B 73 2.143 8.101 -6.827 1.00 0.00 C ATOM 2726 CE1 PHE B 73 0.374 6.148 -6.013 1.00 0.00 C ATOM 2727 CE2 PHE B 73 1.470 7.346 -7.768 1.00 0.00 C ATOM 2728 CZ PHE B 73 0.584 6.368 -7.361 1.00 0.00 C ATOM 0 H PHE B 73 4.888 9.313 -5.327 1.00 0.00 H new ATOM 0 HA PHE B 73 4.117 8.392 -2.878 1.00 0.00 H new ATOM 0 HB2 PHE B 73 2.009 8.912 -3.615 1.00 0.00 H new ATOM 0 HB3 PHE B 73 2.925 9.679 -4.896 1.00 0.00 H new ATOM 0 HD1 PHE B 73 0.880 6.730 -4.024 1.00 0.00 H new ATOM 0 HD2 PHE B 73 2.835 8.864 -7.151 1.00 0.00 H new ATOM 0 HE1 PHE B 73 -0.318 5.383 -5.692 1.00 0.00 H new ATOM 0 HE2 PHE B 73 1.637 7.520 -8.821 1.00 0.00 H new ATOM 0 HZ PHE B 73 0.056 5.776 -8.095 1.00 0.00 H new ATOM 2738 N GLN B 74 3.701 5.881 -4.995 1.00 0.00 N ATOM 2739 CA GLN B 74 3.582 4.428 -4.971 1.00 0.00 C ATOM 2740 C GLN B 74 4.940 3.769 -4.851 1.00 0.00 C ATOM 2741 O GLN B 74 5.052 2.698 -4.270 1.00 0.00 O ATOM 2742 CB GLN B 74 2.838 3.886 -6.192 1.00 0.00 C ATOM 2743 CG GLN B 74 1.847 2.783 -5.832 1.00 0.00 C ATOM 2744 CD GLN B 74 2.215 1.427 -6.414 1.00 0.00 C ATOM 2745 OE1 GLN B 74 2.568 0.467 -5.552 1.00 0.00 O flip ATOM 2746 NE2 GLN B 74 2.185 1.239 -7.631 1.00 0.00 N flip ATOM 0 H GLN B 74 3.652 6.308 -5.920 1.00 0.00 H new ATOM 0 HA GLN B 74 2.992 4.180 -4.089 1.00 0.00 H new ATOM 0 HB2 GLN B 74 2.306 4.702 -6.681 1.00 0.00 H new ATOM 0 HB3 GLN B 74 3.560 3.500 -6.911 1.00 0.00 H new ATOM 0 HG2 GLN B 74 1.786 2.700 -4.747 1.00 0.00 H new ATOM 0 HG3 GLN B 74 0.856 3.065 -6.187 1.00 0.00 H new ATOM 0 HE21 GLN B 74 1.910 1.996 -8.257 1.00 0.00 H new ATOM 0 HE22 GLN B 74 2.435 0.327 -8.012 1.00 0.00 H new ATOM 2755 N GLU B 75 5.980 4.405 -5.385 1.00 0.00 N ATOM 2756 CA GLU B 75 7.318 3.838 -5.295 1.00 0.00 C ATOM 2757 C GLU B 75 7.585 3.366 -3.874 1.00 0.00 C ATOM 2758 O GLU B 75 8.291 2.382 -3.659 1.00 0.00 O ATOM 2759 CB GLU B 75 8.381 4.845 -5.731 1.00 0.00 C ATOM 2760 CG GLU B 75 9.030 4.492 -7.061 1.00 0.00 C ATOM 2761 CD GLU B 75 10.539 4.614 -7.031 1.00 0.00 C ATOM 2762 OE1 GLU B 75 11.185 3.793 -6.346 1.00 0.00 O ATOM 2763 OE2 GLU B 75 11.075 5.523 -7.699 1.00 0.00 O ATOM 0 H GLU B 75 5.923 5.297 -5.876 1.00 0.00 H new ATOM 0 HA GLU B 75 7.373 2.986 -5.973 1.00 0.00 H new ATOM 0 HB2 GLU B 75 7.927 5.833 -5.806 1.00 0.00 H new ATOM 0 HB3 GLU B 75 9.152 4.906 -4.963 1.00 0.00 H new ATOM 0 HG2 GLU B 75 8.758 3.472 -7.333 1.00 0.00 H new ATOM 0 HG3 GLU B 75 8.633 5.145 -7.838 1.00 0.00 H new ATOM 2770 N PHE B 76 6.985 4.055 -2.904 1.00 0.00 N ATOM 2771 CA PHE B 76 7.144 3.663 -1.518 1.00 0.00 C ATOM 2772 C PHE B 76 6.226 2.481 -1.205 1.00 0.00 C ATOM 2773 O PHE B 76 6.680 1.442 -0.724 1.00 0.00 O ATOM 2774 CB PHE B 76 6.831 4.803 -0.545 1.00 0.00 C ATOM 2775 CG PHE B 76 7.032 6.207 -1.050 1.00 0.00 C ATOM 2776 CD1 PHE B 76 8.281 6.652 -1.445 1.00 0.00 C ATOM 2777 CD2 PHE B 76 5.969 7.098 -1.072 1.00 0.00 C ATOM 2778 CE1 PHE B 76 8.465 7.958 -1.863 1.00 0.00 C ATOM 2779 CE2 PHE B 76 6.149 8.406 -1.480 1.00 0.00 C ATOM 2780 CZ PHE B 76 7.399 8.837 -1.877 1.00 0.00 C ATOM 0 H PHE B 76 6.395 4.873 -3.055 1.00 0.00 H new ATOM 0 HA PHE B 76 8.190 3.386 -1.385 1.00 0.00 H new ATOM 0 HB2 PHE B 76 5.793 4.702 -0.228 1.00 0.00 H new ATOM 0 HB3 PHE B 76 7.450 4.670 0.343 1.00 0.00 H new ATOM 0 HD1 PHE B 76 9.121 5.973 -1.427 1.00 0.00 H new ATOM 0 HD2 PHE B 76 4.988 6.765 -0.766 1.00 0.00 H new ATOM 0 HE1 PHE B 76 9.443 8.291 -2.179 1.00 0.00 H new ATOM 0 HE2 PHE B 76 5.313 9.090 -1.488 1.00 0.00 H new ATOM 0 HZ PHE B 76 7.543 9.858 -2.198 1.00 0.00 H new ATOM 2790 N LEU B 77 4.932 2.648 -1.484 1.00 0.00 N ATOM 2791 CA LEU B 77 3.952 1.595 -1.237 1.00 0.00 C ATOM 2792 C LEU B 77 4.282 0.349 -2.052 1.00 0.00 C ATOM 2793 O LEU B 77 4.064 -0.775 -1.604 1.00 0.00 O ATOM 2794 CB LEU B 77 2.541 2.092 -1.568 1.00 0.00 C ATOM 2795 CG LEU B 77 1.751 2.616 -0.367 1.00 0.00 C ATOM 2796 CD1 LEU B 77 0.540 3.415 -0.817 1.00 0.00 C ATOM 2797 CD2 LEU B 77 1.339 1.466 0.533 1.00 0.00 C ATOM 0 H LEU B 77 4.541 3.502 -1.881 1.00 0.00 H new ATOM 0 HA LEU B 77 3.990 1.332 -0.180 1.00 0.00 H new ATOM 0 HB2 LEU B 77 2.615 2.886 -2.312 1.00 0.00 H new ATOM 0 HB3 LEU B 77 1.981 1.277 -2.026 1.00 0.00 H new ATOM 0 HG LEU B 77 2.395 3.286 0.202 1.00 0.00 H new ATOM 0 HD11 LEU B 77 -0.003 3.775 0.057 1.00 0.00 H new ATOM 0 HD12 LEU B 77 0.867 4.264 -1.417 1.00 0.00 H new ATOM 0 HD13 LEU B 77 -0.114 2.779 -1.414 1.00 0.00 H new ATOM 0 HD21 LEU B 77 0.778 1.853 1.384 1.00 0.00 H new ATOM 0 HD22 LEU B 77 0.715 0.771 -0.028 1.00 0.00 H new ATOM 0 HD23 LEU B 77 2.228 0.947 0.891 1.00 0.00 H new ATOM 2809 N ASN B 78 4.825 0.561 -3.245 1.00 0.00 N ATOM 2810 CA ASN B 78 5.209 -0.537 -4.120 1.00 0.00 C ATOM 2811 C ASN B 78 6.450 -1.216 -3.563 1.00 0.00 C ATOM 2812 O ASN B 78 6.615 -2.430 -3.685 1.00 0.00 O ATOM 2813 CB ASN B 78 5.467 -0.022 -5.547 1.00 0.00 C ATOM 2814 CG ASN B 78 6.638 -0.703 -6.235 1.00 0.00 C ATOM 2815 OD1 ASN B 78 7.753 0.009 -6.341 1.00 0.00 O flip ATOM 2816 ND2 ASN B 78 6.540 -1.854 -6.661 1.00 0.00 N flip ATOM 0 H ASN B 78 5.009 1.488 -3.629 1.00 0.00 H new ATOM 0 HA ASN B 78 4.396 -1.262 -4.165 1.00 0.00 H new ATOM 0 HB2 ASN B 78 4.568 -0.169 -6.146 1.00 0.00 H new ATOM 0 HB3 ASN B 78 5.652 1.051 -5.509 1.00 0.00 H new ATOM 0 HD21 ASN B 78 5.662 -2.363 -6.557 1.00 0.00 H new ATOM 0 HD22 ASN B 78 7.336 -2.298 -7.118 1.00 0.00 H new ATOM 2823 N LEU B 79 7.323 -0.422 -2.954 1.00 0.00 N ATOM 2824 CA LEU B 79 8.546 -0.952 -2.387 1.00 0.00 C ATOM 2825 C LEU B 79 8.241 -1.842 -1.189 1.00 0.00 C ATOM 2826 O LEU B 79 8.593 -3.017 -1.191 1.00 0.00 O ATOM 2827 CB LEU B 79 9.496 0.185 -1.991 1.00 0.00 C ATOM 2828 CG LEU B 79 10.542 0.589 -3.046 1.00 0.00 C ATOM 2829 CD1 LEU B 79 10.047 0.326 -4.458 1.00 0.00 C ATOM 2830 CD2 LEU B 79 10.899 2.052 -2.897 1.00 0.00 C ATOM 0 H LEU B 79 7.203 0.585 -2.843 1.00 0.00 H new ATOM 0 HA LEU B 79 9.040 -1.559 -3.146 1.00 0.00 H new ATOM 0 HB2 LEU B 79 8.898 1.063 -1.746 1.00 0.00 H new ATOM 0 HB3 LEU B 79 10.021 -0.107 -1.081 1.00 0.00 H new ATOM 0 HG LEU B 79 11.428 -0.023 -2.878 1.00 0.00 H new ATOM 0 HD11 LEU B 79 10.813 0.624 -5.174 1.00 0.00 H new ATOM 0 HD12 LEU B 79 9.833 -0.736 -4.577 1.00 0.00 H new ATOM 0 HD13 LEU B 79 9.139 0.901 -4.638 1.00 0.00 H new ATOM 0 HD21 LEU B 79 11.639 2.324 -3.649 1.00 0.00 H new ATOM 0 HD22 LEU B 79 10.005 2.660 -3.031 1.00 0.00 H new ATOM 0 HD23 LEU B 79 11.310 2.227 -1.903 1.00 0.00 H new ATOM 2842 N ILE B 80 7.565 -1.293 -0.180 1.00 0.00 N ATOM 2843 CA ILE B 80 7.208 -2.081 0.995 1.00 0.00 C ATOM 2844 C ILE B 80 6.070 -3.030 0.662 1.00 0.00 C ATOM 2845 O ILE B 80 6.108 -4.207 1.019 1.00 0.00 O ATOM 2846 CB ILE B 80 6.833 -1.216 2.216 1.00 0.00 C ATOM 2847 CG1 ILE B 80 6.866 -2.068 3.487 1.00 0.00 C ATOM 2848 CG2 ILE B 80 5.465 -0.597 2.046 1.00 0.00 C ATOM 2849 CD1 ILE B 80 5.624 -2.920 3.682 1.00 0.00 C ATOM 0 H ILE B 80 7.258 -0.321 -0.153 1.00 0.00 H new ATOM 0 HA ILE B 80 8.097 -2.647 1.272 1.00 0.00 H new ATOM 0 HB ILE B 80 7.562 -0.410 2.300 1.00 0.00 H new ATOM 0 HG12 ILE B 80 7.741 -2.718 3.456 1.00 0.00 H new ATOM 0 HG13 ILE B 80 6.986 -1.413 4.350 1.00 0.00 H new ATOM 0 HG21 ILE B 80 5.228 0.007 2.922 1.00 0.00 H new ATOM 0 HG22 ILE B 80 5.459 0.034 1.157 1.00 0.00 H new ATOM 0 HG23 ILE B 80 4.720 -1.385 1.936 1.00 0.00 H new ATOM 0 HD11 ILE B 80 5.719 -3.496 4.602 1.00 0.00 H new ATOM 0 HD12 ILE B 80 4.747 -2.276 3.746 1.00 0.00 H new ATOM 0 HD13 ILE B 80 5.513 -3.601 2.838 1.00 0.00 H new ATOM 2861 N GLY B 81 5.068 -2.523 -0.055 1.00 0.00 N ATOM 2862 CA GLY B 81 3.954 -3.364 -0.448 1.00 0.00 C ATOM 2863 C GLY B 81 4.460 -4.603 -1.149 1.00 0.00 C ATOM 2864 O GLY B 81 4.104 -5.725 -0.786 1.00 0.00 O ATOM 0 H GLY B 81 5.010 -1.554 -0.367 1.00 0.00 H new ATOM 0 HA2 GLY B 81 3.373 -3.645 0.430 1.00 0.00 H new ATOM 0 HA3 GLY B 81 3.286 -2.811 -1.108 1.00 0.00 H new ATOM 2868 N GLY B 82 5.327 -4.395 -2.136 1.00 0.00 N ATOM 2869 CA GLY B 82 5.913 -5.515 -2.852 1.00 0.00 C ATOM 2870 C GLY B 82 6.524 -6.531 -1.900 1.00 0.00 C ATOM 2871 O GLY B 82 6.432 -7.738 -2.129 1.00 0.00 O ATOM 0 H GLY B 82 5.633 -3.475 -2.452 1.00 0.00 H new ATOM 0 HA2 GLY B 82 5.148 -5.999 -3.460 1.00 0.00 H new ATOM 0 HA3 GLY B 82 6.679 -5.150 -3.536 1.00 0.00 H new ATOM 2875 N LEU B 83 7.137 -6.047 -0.817 1.00 0.00 N ATOM 2876 CA LEU B 83 7.740 -6.935 0.173 1.00 0.00 C ATOM 2877 C LEU B 83 6.669 -7.787 0.838 1.00 0.00 C ATOM 2878 O LEU B 83 6.834 -8.996 0.995 1.00 0.00 O ATOM 2879 CB LEU B 83 8.489 -6.138 1.241 1.00 0.00 C ATOM 2880 CG LEU B 83 9.259 -4.933 0.718 1.00 0.00 C ATOM 2881 CD1 LEU B 83 10.105 -4.318 1.819 1.00 0.00 C ATOM 2882 CD2 LEU B 83 10.122 -5.327 -0.470 1.00 0.00 C ATOM 0 H LEU B 83 7.227 -5.053 -0.606 1.00 0.00 H new ATOM 0 HA LEU B 83 8.450 -7.580 -0.345 1.00 0.00 H new ATOM 0 HB2 LEU B 83 7.773 -5.797 1.988 1.00 0.00 H new ATOM 0 HB3 LEU B 83 9.186 -6.804 1.749 1.00 0.00 H new ATOM 0 HG LEU B 83 8.541 -4.184 0.385 1.00 0.00 H new ATOM 0 HD11 LEU B 83 10.647 -3.459 1.424 1.00 0.00 H new ATOM 0 HD12 LEU B 83 9.460 -3.996 2.637 1.00 0.00 H new ATOM 0 HD13 LEU B 83 10.816 -5.057 2.187 1.00 0.00 H new ATOM 0 HD21 LEU B 83 10.665 -4.454 -0.831 1.00 0.00 H new ATOM 0 HD22 LEU B 83 10.832 -6.095 -0.165 1.00 0.00 H new ATOM 0 HD23 LEU B 83 9.488 -5.715 -1.267 1.00 0.00 H new ATOM 2894 N ALA B 84 5.564 -7.150 1.221 1.00 0.00 N ATOM 2895 CA ALA B 84 4.466 -7.866 1.862 1.00 0.00 C ATOM 2896 C ALA B 84 4.000 -9.022 0.993 1.00 0.00 C ATOM 2897 O ALA B 84 3.560 -10.059 1.490 1.00 0.00 O ATOM 2898 CB ALA B 84 3.298 -6.933 2.107 1.00 0.00 C ATOM 0 H ALA B 84 5.407 -6.149 1.100 1.00 0.00 H new ATOM 0 HA ALA B 84 4.830 -8.253 2.814 1.00 0.00 H new ATOM 0 HB1 ALA B 84 2.487 -7.483 2.586 1.00 0.00 H new ATOM 0 HB2 ALA B 84 3.615 -6.116 2.755 1.00 0.00 H new ATOM 0 HB3 ALA B 84 2.950 -6.528 1.157 1.00 0.00 H new ATOM 2904 N VAL B 85 4.094 -8.821 -0.309 1.00 0.00 N ATOM 2905 CA VAL B 85 3.678 -9.829 -1.270 1.00 0.00 C ATOM 2906 C VAL B 85 4.783 -10.832 -1.546 1.00 0.00 C ATOM 2907 O VAL B 85 4.535 -11.916 -2.073 1.00 0.00 O ATOM 2908 CB VAL B 85 3.201 -9.204 -2.602 1.00 0.00 C ATOM 2909 CG1 VAL B 85 1.768 -9.609 -2.867 1.00 0.00 C ATOM 2910 CG2 VAL B 85 3.317 -7.686 -2.591 1.00 0.00 C ATOM 0 H VAL B 85 4.457 -7.965 -0.728 1.00 0.00 H new ATOM 0 HA VAL B 85 2.836 -10.350 -0.814 1.00 0.00 H new ATOM 0 HB VAL B 85 3.847 -9.577 -3.397 1.00 0.00 H new ATOM 0 HG11 VAL B 85 1.433 -9.168 -3.806 1.00 0.00 H new ATOM 0 HG12 VAL B 85 1.703 -10.695 -2.933 1.00 0.00 H new ATOM 0 HG13 VAL B 85 1.134 -9.256 -2.054 1.00 0.00 H new ATOM 0 HG21 VAL B 85 2.972 -7.288 -3.545 1.00 0.00 H new ATOM 0 HG22 VAL B 85 2.705 -7.280 -1.786 1.00 0.00 H new ATOM 0 HG23 VAL B 85 4.358 -7.402 -2.434 1.00 0.00 H new ATOM 2920 N ALA B 86 5.999 -10.463 -1.190 1.00 0.00 N ATOM 2921 CA ALA B 86 7.143 -11.324 -1.400 1.00 0.00 C ATOM 2922 C ALA B 86 7.735 -11.794 -0.076 1.00 0.00 C ATOM 2923 O ALA B 86 8.833 -12.348 -0.040 1.00 0.00 O ATOM 2924 CB ALA B 86 8.174 -10.574 -2.213 1.00 0.00 C ATOM 0 H ALA B 86 6.218 -9.568 -0.752 1.00 0.00 H new ATOM 0 HA ALA B 86 6.825 -12.215 -1.942 1.00 0.00 H new ATOM 0 HB1 ALA B 86 9.042 -11.213 -2.378 1.00 0.00 H new ATOM 0 HB2 ALA B 86 7.744 -10.290 -3.174 1.00 0.00 H new ATOM 0 HB3 ALA B 86 8.481 -9.678 -1.674 1.00 0.00 H new ATOM 2930 N CYS B 87 7.002 -11.572 1.013 1.00 0.00 N ATOM 2931 CA CYS B 87 7.466 -11.977 2.333 1.00 0.00 C ATOM 2932 C CYS B 87 6.306 -12.130 3.317 1.00 0.00 C ATOM 2933 O CYS B 87 6.298 -13.053 4.131 1.00 0.00 O ATOM 2934 CB CYS B 87 8.479 -10.966 2.870 1.00 0.00 C ATOM 2935 SG CYS B 87 9.522 -11.609 4.200 1.00 0.00 S ATOM 0 H CYS B 87 6.090 -11.116 1.005 1.00 0.00 H new ATOM 0 HA CYS B 87 7.947 -12.950 2.230 1.00 0.00 H new ATOM 0 HB2 CYS B 87 9.116 -10.634 2.050 1.00 0.00 H new ATOM 0 HB3 CYS B 87 7.944 -10.088 3.233 1.00 0.00 H new ATOM 0 HG CYS B 87 10.594 -10.880 4.302 1.00 0.00 H new ATOM 2941 N HIS B 88 5.329 -11.226 3.248 1.00 0.00 N ATOM 2942 CA HIS B 88 4.182 -11.288 4.150 1.00 0.00 C ATOM 2943 C HIS B 88 3.048 -12.110 3.543 1.00 0.00 C ATOM 2944 O HIS B 88 3.069 -12.433 2.356 1.00 0.00 O ATOM 2945 CB HIS B 88 3.682 -9.882 4.490 1.00 0.00 C ATOM 2946 CG HIS B 88 4.676 -9.062 5.254 1.00 0.00 C ATOM 2947 ND1 HIS B 88 4.403 -8.507 6.486 1.00 0.00 N ATOM 2948 CD2 HIS B 88 5.947 -8.703 4.954 1.00 0.00 C ATOM 2949 CE1 HIS B 88 5.463 -7.842 6.910 1.00 0.00 C ATOM 2950 NE2 HIS B 88 6.412 -7.946 6.000 1.00 0.00 N ATOM 0 H HIS B 88 5.309 -10.451 2.585 1.00 0.00 H new ATOM 0 HA HIS B 88 4.511 -11.777 5.067 1.00 0.00 H new ATOM 0 HB2 HIS B 88 3.428 -9.362 3.566 1.00 0.00 H new ATOM 0 HB3 HIS B 88 2.765 -9.962 5.073 1.00 0.00 H new ATOM 0 HD2 HIS B 88 6.492 -8.964 4.059 1.00 0.00 H new ATOM 0 HE1 HIS B 88 5.539 -7.304 7.844 1.00 0.00 H new ATOM 0 HE2 HIS B 88 7.342 -7.531 6.063 1.00 0.00 H new ATOM 2959 N GLU B 89 2.063 -12.446 4.370 1.00 0.00 N ATOM 2960 CA GLU B 89 0.919 -13.235 3.924 1.00 0.00 C ATOM 2961 C GLU B 89 0.210 -12.563 2.752 1.00 0.00 C ATOM 2962 O GLU B 89 -0.714 -11.772 2.940 1.00 0.00 O ATOM 2963 CB GLU B 89 -0.064 -13.443 5.078 1.00 0.00 C ATOM 2964 CG GLU B 89 -0.383 -12.169 5.844 1.00 0.00 C ATOM 2965 CD GLU B 89 -1.555 -12.336 6.791 1.00 0.00 C ATOM 2966 OE1 GLU B 89 -1.557 -13.317 7.564 1.00 0.00 O ATOM 2967 OE2 GLU B 89 -2.468 -11.486 6.761 1.00 0.00 O ATOM 0 H GLU B 89 2.034 -12.184 5.355 1.00 0.00 H new ATOM 0 HA GLU B 89 1.290 -14.204 3.590 1.00 0.00 H new ATOM 0 HB2 GLU B 89 -0.990 -13.862 4.684 1.00 0.00 H new ATOM 0 HB3 GLU B 89 0.350 -14.178 5.768 1.00 0.00 H new ATOM 0 HG2 GLU B 89 0.496 -11.860 6.410 1.00 0.00 H new ATOM 0 HG3 GLU B 89 -0.603 -11.370 5.137 1.00 0.00 H new ATOM 2974 N SER B 90 0.650 -12.887 1.538 1.00 0.00 N ATOM 2975 CA SER B 90 0.060 -12.320 0.330 1.00 0.00 C ATOM 2976 C SER B 90 0.810 -12.797 -0.909 1.00 0.00 C ATOM 2977 O SER B 90 1.937 -12.373 -1.164 1.00 0.00 O ATOM 2978 CB SER B 90 0.078 -10.790 0.391 1.00 0.00 C ATOM 2979 OG SER B 90 -1.135 -10.286 0.921 1.00 0.00 O ATOM 0 H SER B 90 1.414 -13.540 1.366 1.00 0.00 H new ATOM 0 HA SER B 90 -0.974 -12.659 0.267 1.00 0.00 H new ATOM 0 HB2 SER B 90 0.913 -10.457 1.007 1.00 0.00 H new ATOM 0 HB3 SER B 90 0.238 -10.385 -0.608 1.00 0.00 H new ATOM 0 HG SER B 90 -1.378 -10.795 1.722 1.00 0.00 H new ATOM 2985 N PHE B 91 0.181 -13.688 -1.673 1.00 0.00 N ATOM 2986 CA PHE B 91 0.788 -14.234 -2.889 1.00 0.00 C ATOM 2987 C PHE B 91 1.857 -15.274 -2.553 1.00 0.00 C ATOM 2988 O PHE B 91 1.862 -16.370 -3.113 1.00 0.00 O ATOM 2989 CB PHE B 91 1.391 -13.116 -3.746 1.00 0.00 C ATOM 2990 CG PHE B 91 0.797 -13.028 -5.123 1.00 0.00 C ATOM 2991 CD1 PHE B 91 -0.566 -12.851 -5.292 1.00 0.00 C ATOM 2992 CD2 PHE B 91 1.601 -13.125 -6.248 1.00 0.00 C ATOM 2993 CE1 PHE B 91 -1.117 -12.769 -6.558 1.00 0.00 C ATOM 2994 CE2 PHE B 91 1.057 -13.044 -7.515 1.00 0.00 C ATOM 2995 CZ PHE B 91 -0.304 -12.866 -7.670 1.00 0.00 C ATOM 0 H PHE B 91 -0.752 -14.049 -1.472 1.00 0.00 H new ATOM 0 HA PHE B 91 -0.001 -14.725 -3.459 1.00 0.00 H new ATOM 0 HB2 PHE B 91 1.250 -12.163 -3.237 1.00 0.00 H new ATOM 0 HB3 PHE B 91 2.466 -13.275 -3.832 1.00 0.00 H new ATOM 0 HD1 PHE B 91 -1.206 -12.776 -4.425 1.00 0.00 H new ATOM 0 HD2 PHE B 91 2.666 -13.266 -6.132 1.00 0.00 H new ATOM 0 HE1 PHE B 91 -2.181 -12.629 -6.677 1.00 0.00 H new ATOM 0 HE2 PHE B 91 1.695 -13.120 -8.383 1.00 0.00 H new ATOM 0 HZ PHE B 91 -0.732 -12.803 -8.660 1.00 0.00 H new ATOM 3005 N VAL B 92 2.762 -14.924 -1.639 1.00 0.00 N ATOM 3006 CA VAL B 92 3.837 -15.824 -1.228 1.00 0.00 C ATOM 3007 C VAL B 92 3.325 -17.245 -0.995 1.00 0.00 C ATOM 3008 O VAL B 92 4.058 -18.218 -1.175 1.00 0.00 O ATOM 3009 CB VAL B 92 4.525 -15.320 0.058 1.00 0.00 C ATOM 3010 CG1 VAL B 92 5.107 -13.931 -0.155 1.00 0.00 C ATOM 3011 CG2 VAL B 92 3.548 -15.319 1.226 1.00 0.00 C ATOM 0 H VAL B 92 2.771 -14.019 -1.168 1.00 0.00 H new ATOM 0 HA VAL B 92 4.560 -15.839 -2.043 1.00 0.00 H new ATOM 0 HB VAL B 92 5.342 -16.001 0.297 1.00 0.00 H new ATOM 0 HG11 VAL B 92 5.588 -13.593 0.763 1.00 0.00 H new ATOM 0 HG12 VAL B 92 5.842 -13.964 -0.959 1.00 0.00 H new ATOM 0 HG13 VAL B 92 4.308 -13.239 -0.422 1.00 0.00 H new ATOM 0 HG21 VAL B 92 4.053 -14.960 2.123 1.00 0.00 H new ATOM 0 HG22 VAL B 92 2.707 -14.664 0.997 1.00 0.00 H new ATOM 0 HG23 VAL B 92 3.183 -16.332 1.396 1.00 0.00 H new