USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 610 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: A 66 THR OG1 : rot 104:sc= 1.15 USER MOD Set 1.2: A 69 GLN : amide:sc= -13.9! C(o=-13!,f=-20!) USER MOD Set 2.1: A 18 HIS :FLIP no HE2:sc= -13.2! C(o=-22!,f=-17!) USER MOD Set 2.2: A 23 ASN : amide:sc= -4.19 K(o=-17,f=-22!) USER MOD Single : A 5 ASN : amide:sc= -4.52! C(o=-4.5!,f=-9.3!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN :FLIP amide:sc= -4.46! C(o=-5!,f=-4.5!) USER MOD Single : A 14 CYS SG : rot 153:sc= -3.53! USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl -124:sc= -7.58! (180deg=-13.8!) USER MOD Single : A 28 ASN :FLIP amide:sc= -2.34 F(o=-5.9,f=-2.3) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 142:sc= -1.89! USER MOD Single : A 32 LYS NZ :NH3+ 162:sc= 1.03 (180deg=0.816) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN :FLIP amide:sc= -1.43 F(o=-5.2!,f=-1.4) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 30:sc= -0.367 USER MOD Single : A 43 SER OG : rot 180:sc= -1.45 USER MOD Single : A 49 TYR OH : rot 180:sc= -0.363 USER MOD Single : A 50 GLN :FLIP amide:sc= -10.4! C(o=-13!,f=-10!) USER MOD Single : A 52 GLN :FLIP amide:sc= -3.25! C(o=-4.1!,f=-3.3!) USER MOD Single : A 53 HIS :FLIP no HE2:sc= -8.23! C(o=-12!,f=-8.2!) USER MOD Single : A 55 LYS NZ :NH3+ 149:sc= -0.0385 (180deg=-0.244) USER MOD Single : A 56 ASN : amide:sc= -0.0132 X(o=-0.013,f=0) USER MOD Single : A 58 MET CE :methyl -171:sc= -5.79! (180deg=-6.19!) USER MOD Single : A 71 GLN : amide:sc= -7.98! C(o=-8!,f=-14!) USER MOD Single : A 76 TYR OH : rot 150:sc= 0 USER MOD Single : A 80 GLN : amide:sc= -6.13! C(o=-6.1!,f=-7!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 13 N ASP A 2 31.168 9.821 -19.353 1.00 0.00 N ATOM 14 CA ASP A 2 29.832 9.253 -19.671 1.00 0.00 C ATOM 15 C ASP A 2 29.955 7.757 -19.944 1.00 0.00 C ATOM 16 O ASP A 2 28.979 7.097 -20.223 1.00 0.00 O ATOM 17 CB ASP A 2 29.247 9.942 -20.902 1.00 0.00 C ATOM 18 CG ASP A 2 29.492 11.448 -20.813 1.00 0.00 C ATOM 19 OD1 ASP A 2 29.376 11.985 -19.723 1.00 0.00 O ATOM 20 OD2 ASP A 2 29.791 12.042 -21.836 1.00 0.00 O ATOM 0 HA ASP A 2 29.172 9.416 -18.819 1.00 0.00 H new ATOM 0 HB2 ASP A 2 29.705 9.542 -21.807 1.00 0.00 H new ATOM 0 HB3 ASP A 2 28.178 9.741 -20.970 1.00 0.00 H new ATOM 25 N LEU A 3 31.141 7.208 -19.848 1.00 0.00 N ATOM 26 CA LEU A 3 31.302 5.744 -20.097 1.00 0.00 C ATOM 27 C LEU A 3 30.668 4.951 -18.953 1.00 0.00 C ATOM 28 O LEU A 3 30.717 3.739 -18.932 1.00 0.00 O ATOM 29 CB LEU A 3 32.787 5.382 -20.234 1.00 0.00 C ATOM 30 CG LEU A 3 33.432 5.303 -18.854 1.00 0.00 C ATOM 31 CD1 LEU A 3 33.300 3.872 -18.343 1.00 0.00 C ATOM 32 CD2 LEU A 3 34.912 5.679 -18.956 1.00 0.00 C ATOM 0 H LEU A 3 31.998 7.707 -19.610 1.00 0.00 H new ATOM 0 HA LEU A 3 30.799 5.489 -21.030 1.00 0.00 H new ATOM 0 HB2 LEU A 3 32.891 4.427 -20.749 1.00 0.00 H new ATOM 0 HB3 LEU A 3 33.298 6.129 -20.841 1.00 0.00 H new ATOM 0 HG LEU A 3 32.939 5.993 -18.169 1.00 0.00 H new ATOM 0 HD11 LEU A 3 33.756 3.795 -17.356 1.00 0.00 H new ATOM 0 HD12 LEU A 3 32.245 3.605 -18.278 1.00 0.00 H new ATOM 0 HD13 LEU A 3 33.804 3.192 -19.030 1.00 0.00 H new ATOM 0 HD21 LEU A 3 35.371 5.622 -17.969 1.00 0.00 H new ATOM 0 HD22 LEU A 3 35.417 4.989 -19.631 1.00 0.00 H new ATOM 0 HD23 LEU A 3 35.004 6.695 -19.340 1.00 0.00 H new ATOM 44 N ALA A 4 30.042 5.617 -18.020 1.00 0.00 N ATOM 45 CA ALA A 4 29.373 4.888 -16.925 1.00 0.00 C ATOM 46 C ALA A 4 28.145 4.226 -17.536 1.00 0.00 C ATOM 47 O ALA A 4 27.629 3.246 -17.036 1.00 0.00 O ATOM 48 CB ALA A 4 28.954 5.862 -15.822 1.00 0.00 C ATOM 0 H ALA A 4 29.970 6.633 -17.976 1.00 0.00 H new ATOM 0 HA ALA A 4 30.038 4.150 -16.477 1.00 0.00 H new ATOM 0 HB1 ALA A 4 28.461 5.313 -15.020 1.00 0.00 H new ATOM 0 HB2 ALA A 4 29.836 6.367 -15.428 1.00 0.00 H new ATOM 0 HB3 ALA A 4 28.266 6.601 -16.232 1.00 0.00 H new ATOM 54 N ASN A 5 27.698 4.753 -18.649 1.00 0.00 N ATOM 55 CA ASN A 5 26.532 4.160 -19.345 1.00 0.00 C ATOM 56 C ASN A 5 26.984 2.875 -20.044 1.00 0.00 C ATOM 57 O ASN A 5 26.203 2.180 -20.665 1.00 0.00 O ATOM 58 CB ASN A 5 26.004 5.136 -20.387 1.00 0.00 C ATOM 59 CG ASN A 5 24.595 5.597 -20.005 1.00 0.00 C ATOM 60 OD1 ASN A 5 24.118 5.305 -18.927 1.00 0.00 O ATOM 61 ND2 ASN A 5 23.903 6.308 -20.854 1.00 0.00 N ATOM 0 H ASN A 5 28.099 5.574 -19.102 1.00 0.00 H new ATOM 0 HA ASN A 5 25.743 3.943 -18.625 1.00 0.00 H new ATOM 0 HB2 ASN A 5 26.669 5.996 -20.462 1.00 0.00 H new ATOM 0 HB3 ASN A 5 25.987 4.660 -21.367 1.00 0.00 H new ATOM 0 HD21 ASN A 5 22.962 6.618 -20.612 1.00 0.00 H new ATOM 0 HD22 ASN A 5 24.304 6.553 -21.759 1.00 0.00 H new ATOM 68 N GLY A 6 28.247 2.560 -19.944 1.00 0.00 N ATOM 69 CA GLY A 6 28.773 1.328 -20.577 1.00 0.00 C ATOM 70 C GLY A 6 28.570 0.180 -19.596 1.00 0.00 C ATOM 71 O GLY A 6 28.081 -0.862 -19.954 1.00 0.00 O ATOM 0 H GLY A 6 28.941 3.114 -19.443 1.00 0.00 H new ATOM 0 HA2 GLY A 6 28.253 1.127 -21.514 1.00 0.00 H new ATOM 0 HA3 GLY A 6 29.830 1.443 -20.818 1.00 0.00 H new ATOM 75 N ALA A 7 28.926 0.386 -18.350 1.00 0.00 N ATOM 76 CA ALA A 7 28.734 -0.671 -17.318 1.00 0.00 C ATOM 77 C ALA A 7 27.270 -1.073 -17.293 1.00 0.00 C ATOM 78 O ALA A 7 26.933 -2.233 -17.275 1.00 0.00 O ATOM 79 CB ALA A 7 29.097 -0.115 -15.942 1.00 0.00 C ATOM 0 H ALA A 7 29.345 1.250 -18.005 1.00 0.00 H new ATOM 0 HA ALA A 7 29.366 -1.527 -17.555 1.00 0.00 H new ATOM 0 HB1 ALA A 7 28.956 -0.889 -15.188 1.00 0.00 H new ATOM 0 HB2 ALA A 7 30.139 0.206 -15.942 1.00 0.00 H new ATOM 0 HB3 ALA A 7 28.456 0.736 -15.713 1.00 0.00 H new ATOM 85 N LYS A 8 26.395 -0.115 -17.284 1.00 0.00 N ATOM 86 CA LYS A 8 24.949 -0.445 -17.258 1.00 0.00 C ATOM 87 C LYS A 8 24.665 -1.442 -18.369 1.00 0.00 C ATOM 88 O LYS A 8 23.808 -2.295 -18.258 1.00 0.00 O ATOM 89 CB LYS A 8 24.109 0.817 -17.490 1.00 0.00 C ATOM 90 CG LYS A 8 24.902 1.810 -18.341 1.00 0.00 C ATOM 91 CD LYS A 8 23.951 2.621 -19.240 1.00 0.00 C ATOM 92 CE LYS A 8 23.207 1.692 -20.161 1.00 0.00 C ATOM 93 NZ LYS A 8 21.738 1.888 -19.994 1.00 0.00 N ATOM 0 H LYS A 8 26.617 0.881 -17.293 1.00 0.00 H new ATOM 0 HA LYS A 8 24.690 -0.865 -16.286 1.00 0.00 H new ATOM 0 HB2 LYS A 8 23.175 0.558 -17.990 1.00 0.00 H new ATOM 0 HB3 LYS A 8 23.844 1.271 -16.535 1.00 0.00 H new ATOM 0 HG2 LYS A 8 25.466 2.483 -17.696 1.00 0.00 H new ATOM 0 HG3 LYS A 8 25.627 1.276 -18.955 1.00 0.00 H new ATOM 0 HD2 LYS A 8 23.246 3.182 -18.627 1.00 0.00 H new ATOM 0 HD3 LYS A 8 24.517 3.349 -19.822 1.00 0.00 H new ATOM 0 HE2 LYS A 8 23.494 1.883 -21.195 1.00 0.00 H new ATOM 0 HE3 LYS A 8 23.473 0.658 -19.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 21.227 1.245 -20.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 21.470 1.685 -19.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 21.491 2.872 -20.224 1.00 0.00 H new ATOM 107 N VAL A 9 25.374 -1.325 -19.451 1.00 0.00 N ATOM 108 CA VAL A 9 25.141 -2.249 -20.587 1.00 0.00 C ATOM 109 C VAL A 9 26.129 -3.411 -20.565 1.00 0.00 C ATOM 110 O VAL A 9 25.925 -4.402 -21.236 1.00 0.00 O ATOM 111 CB VAL A 9 25.293 -1.475 -21.885 1.00 0.00 C ATOM 112 CG1 VAL A 9 25.015 -2.400 -23.072 1.00 0.00 C ATOM 113 CG2 VAL A 9 24.287 -0.333 -21.879 1.00 0.00 C ATOM 0 H VAL A 9 26.105 -0.629 -19.598 1.00 0.00 H new ATOM 0 HA VAL A 9 24.135 -2.661 -20.505 1.00 0.00 H new ATOM 0 HB VAL A 9 26.307 -1.084 -21.974 1.00 0.00 H new ATOM 0 HG11 VAL A 9 25.125 -1.842 -24.002 1.00 0.00 H new ATOM 0 HG12 VAL A 9 25.723 -3.229 -23.061 1.00 0.00 H new ATOM 0 HG13 VAL A 9 23.999 -2.789 -23.000 1.00 0.00 H new ATOM 0 HG21 VAL A 9 24.378 0.237 -22.803 1.00 0.00 H new ATOM 0 HG22 VAL A 9 23.278 -0.737 -21.801 1.00 0.00 H new ATOM 0 HG23 VAL A 9 24.483 0.320 -21.029 1.00 0.00 H new ATOM 123 N PHE A 10 27.199 -3.332 -19.825 1.00 0.00 N ATOM 124 CA PHE A 10 28.129 -4.484 -19.839 1.00 0.00 C ATOM 125 C PHE A 10 27.663 -5.537 -18.836 1.00 0.00 C ATOM 126 O PHE A 10 27.916 -6.715 -18.995 1.00 0.00 O ATOM 127 CB PHE A 10 29.549 -4.032 -19.502 1.00 0.00 C ATOM 128 CG PHE A 10 30.428 -5.255 -19.413 1.00 0.00 C ATOM 129 CD1 PHE A 10 30.332 -6.080 -18.294 1.00 0.00 C ATOM 130 CD2 PHE A 10 31.322 -5.579 -20.448 1.00 0.00 C ATOM 131 CE1 PHE A 10 31.119 -7.223 -18.199 1.00 0.00 C ATOM 132 CE2 PHE A 10 32.110 -6.732 -20.348 1.00 0.00 C ATOM 133 CZ PHE A 10 32.008 -7.553 -19.223 1.00 0.00 C ATOM 0 H PHE A 10 27.461 -2.546 -19.231 1.00 0.00 H new ATOM 0 HA PHE A 10 28.133 -4.917 -20.839 1.00 0.00 H new ATOM 0 HB2 PHE A 10 29.922 -3.351 -20.267 1.00 0.00 H new ATOM 0 HB3 PHE A 10 29.560 -3.487 -18.558 1.00 0.00 H new ATOM 0 HD1 PHE A 10 29.645 -5.831 -17.499 1.00 0.00 H new ATOM 0 HD2 PHE A 10 31.401 -4.942 -21.316 1.00 0.00 H new ATOM 0 HE1 PHE A 10 31.042 -7.858 -17.329 1.00 0.00 H new ATOM 0 HE2 PHE A 10 32.797 -6.987 -21.141 1.00 0.00 H new ATOM 0 HZ PHE A 10 32.616 -8.442 -19.145 1.00 0.00 H new ATOM 143 N SER A 11 26.988 -5.127 -17.806 1.00 0.00 N ATOM 144 CA SER A 11 26.506 -6.106 -16.793 1.00 0.00 C ATOM 145 C SER A 11 25.150 -6.671 -17.222 1.00 0.00 C ATOM 146 O SER A 11 24.443 -7.270 -16.436 1.00 0.00 O ATOM 147 CB SER A 11 26.363 -5.405 -15.441 1.00 0.00 C ATOM 148 OG SER A 11 25.048 -4.882 -15.316 1.00 0.00 O ATOM 0 H SER A 11 26.747 -4.154 -17.618 1.00 0.00 H new ATOM 0 HA SER A 11 27.223 -6.922 -16.709 1.00 0.00 H new ATOM 0 HB2 SER A 11 26.565 -6.107 -14.632 1.00 0.00 H new ATOM 0 HB3 SER A 11 27.095 -4.602 -15.356 1.00 0.00 H new ATOM 0 HG SER A 11 24.955 -4.434 -14.449 1.00 0.00 H new ATOM 154 N GLY A 12 24.776 -6.487 -18.460 1.00 0.00 N ATOM 155 CA GLY A 12 23.468 -7.015 -18.921 1.00 0.00 C ATOM 156 C GLY A 12 23.557 -7.502 -20.374 1.00 0.00 C ATOM 157 O GLY A 12 22.578 -7.938 -20.946 1.00 0.00 O ATOM 0 H GLY A 12 25.321 -5.994 -19.168 1.00 0.00 H new ATOM 0 HA2 GLY A 12 23.155 -7.836 -18.276 1.00 0.00 H new ATOM 0 HA3 GLY A 12 22.708 -6.238 -18.839 1.00 0.00 H new ATOM 161 N ASN A 13 24.712 -7.437 -20.980 1.00 0.00 N ATOM 162 CA ASN A 13 24.836 -7.901 -22.392 1.00 0.00 C ATOM 163 C ASN A 13 26.194 -8.573 -22.580 1.00 0.00 C ATOM 164 O ASN A 13 26.294 -9.673 -23.088 1.00 0.00 O ATOM 165 CB ASN A 13 24.732 -6.701 -23.337 1.00 0.00 C ATOM 166 CG ASN A 13 23.481 -5.883 -23.006 1.00 0.00 C ATOM 167 OD1 ASN A 13 23.391 -5.287 -21.846 1.00 0.00 O flip ATOM 168 ND2 ASN A 13 22.575 -5.785 -23.810 1.00 0.00 N flip ATOM 0 H ASN A 13 25.572 -7.084 -20.560 1.00 0.00 H new ATOM 0 HA ASN A 13 24.038 -8.609 -22.615 1.00 0.00 H new ATOM 0 HB2 ASN A 13 25.620 -6.076 -23.244 1.00 0.00 H new ATOM 0 HB3 ASN A 13 24.690 -7.044 -24.371 1.00 0.00 H new ATOM 0 HD21 ASN A 13 22.644 -6.250 -24.715 1.00 0.00 H new ATOM 0 HD22 ASN A 13 21.745 -5.238 -23.579 1.00 0.00 H new ATOM 175 N CYS A 14 27.241 -7.917 -22.170 1.00 0.00 N ATOM 176 CA CYS A 14 28.599 -8.508 -22.316 1.00 0.00 C ATOM 177 C CYS A 14 28.798 -9.565 -21.229 1.00 0.00 C ATOM 178 O CYS A 14 29.484 -10.549 -21.419 1.00 0.00 O ATOM 179 CB CYS A 14 29.658 -7.413 -22.156 1.00 0.00 C ATOM 180 SG CYS A 14 29.043 -5.846 -22.830 1.00 0.00 S ATOM 0 H CYS A 14 27.215 -6.993 -21.738 1.00 0.00 H new ATOM 0 HA CYS A 14 28.697 -8.962 -23.302 1.00 0.00 H new ATOM 0 HB2 CYS A 14 29.909 -7.291 -21.102 1.00 0.00 H new ATOM 0 HB3 CYS A 14 30.574 -7.704 -22.670 1.00 0.00 H new ATOM 0 HG CYS A 14 29.616 -4.854 -22.215 1.00 0.00 H new ATOM 185 N ALA A 15 28.199 -9.364 -20.088 1.00 0.00 N ATOM 186 CA ALA A 15 28.343 -10.349 -18.982 1.00 0.00 C ATOM 187 C ALA A 15 28.155 -11.766 -19.527 1.00 0.00 C ATOM 188 O ALA A 15 28.861 -12.684 -19.159 1.00 0.00 O ATOM 189 CB ALA A 15 27.293 -10.058 -17.913 1.00 0.00 C ATOM 0 H ALA A 15 27.614 -8.556 -19.874 1.00 0.00 H new ATOM 0 HA ALA A 15 29.338 -10.268 -18.544 1.00 0.00 H new ATOM 0 HB1 ALA A 15 27.393 -10.777 -17.099 1.00 0.00 H new ATOM 0 HB2 ALA A 15 27.438 -9.049 -17.526 1.00 0.00 H new ATOM 0 HB3 ALA A 15 26.297 -10.140 -18.349 1.00 0.00 H new ATOM 195 N ALA A 16 27.209 -11.951 -20.406 1.00 0.00 N ATOM 196 CA ALA A 16 26.970 -13.307 -20.977 1.00 0.00 C ATOM 197 C ALA A 16 28.259 -13.849 -21.604 1.00 0.00 C ATOM 198 O ALA A 16 28.628 -14.988 -21.398 1.00 0.00 O ATOM 199 CB ALA A 16 25.885 -13.216 -22.051 1.00 0.00 C ATOM 0 H ALA A 16 26.589 -11.220 -20.755 1.00 0.00 H new ATOM 0 HA ALA A 16 26.651 -13.980 -20.181 1.00 0.00 H new ATOM 0 HB1 ALA A 16 25.706 -14.205 -22.472 1.00 0.00 H new ATOM 0 HB2 ALA A 16 24.964 -12.839 -21.607 1.00 0.00 H new ATOM 0 HB3 ALA A 16 26.211 -12.539 -22.841 1.00 0.00 H new ATOM 205 N CYS A 17 28.940 -13.048 -22.377 1.00 0.00 N ATOM 206 CA CYS A 17 30.195 -13.529 -23.024 1.00 0.00 C ATOM 207 C CYS A 17 31.386 -12.739 -22.516 1.00 0.00 C ATOM 208 O CYS A 17 32.373 -12.578 -23.205 1.00 0.00 O ATOM 209 CB CYS A 17 30.084 -13.346 -24.519 1.00 0.00 C ATOM 210 SG CYS A 17 28.677 -14.315 -25.130 1.00 0.00 S ATOM 0 H CYS A 17 28.683 -12.084 -22.589 1.00 0.00 H new ATOM 0 HA CYS A 17 30.337 -14.582 -22.782 1.00 0.00 H new ATOM 0 HB2 CYS A 17 29.948 -12.292 -24.760 1.00 0.00 H new ATOM 0 HB3 CYS A 17 31.004 -13.669 -25.007 1.00 0.00 H new ATOM 0 HG CYS A 17 28.571 -14.162 -26.417 1.00 0.00 H new ATOM 215 N HIS A 18 31.306 -12.238 -21.324 1.00 0.00 N ATOM 216 CA HIS A 18 32.439 -11.451 -20.788 1.00 0.00 C ATOM 217 C HIS A 18 32.341 -11.402 -19.267 1.00 0.00 C ATOM 218 O HIS A 18 33.045 -12.099 -18.565 1.00 0.00 O ATOM 219 CB HIS A 18 32.364 -10.035 -21.369 1.00 0.00 C ATOM 220 CG HIS A 18 32.724 -10.082 -22.811 1.00 0.00 C ATOM 221 ND1 HIS A 18 31.978 -10.090 -23.959 1.00 0.00 N flip ATOM 222 CD2 HIS A 18 34.035 -10.171 -23.207 1.00 0.00 C flip ATOM 223 CE1 HIS A 18 32.821 -10.199 -25.057 1.00 0.00 C flip ATOM 224 NE2 HIS A 18 34.049 -10.244 -24.541 1.00 0.00 N flip ATOM 0 H HIS A 18 30.507 -12.339 -20.698 1.00 0.00 H new ATOM 0 HA HIS A 18 33.388 -11.910 -21.065 1.00 0.00 H new ATOM 0 HB2 HIS A 18 31.360 -9.630 -21.245 1.00 0.00 H new ATOM 0 HB3 HIS A 18 33.043 -9.372 -20.833 1.00 0.00 H new ATOM 0 HD1 HIS A 18 30.961 -10.026 -24.001 1.00 0.00 H new ATOM 0 HD2 HIS A 18 34.898 -10.180 -22.558 1.00 0.00 H new ATOM 0 HE1 HIS A 18 32.543 -10.239 -26.100 1.00 0.00 H new ATOM 232 N MET A 19 31.457 -10.594 -18.767 1.00 0.00 N ATOM 233 CA MET A 19 31.267 -10.479 -17.286 1.00 0.00 C ATOM 234 C MET A 19 32.593 -10.138 -16.595 1.00 0.00 C ATOM 235 O MET A 19 33.596 -10.794 -16.785 1.00 0.00 O ATOM 236 CB MET A 19 30.730 -11.789 -16.734 1.00 0.00 C ATOM 237 CG MET A 19 29.471 -11.516 -15.906 1.00 0.00 C ATOM 238 SD MET A 19 29.867 -11.642 -14.144 1.00 0.00 S ATOM 239 CE MET A 19 28.201 -12.039 -13.561 1.00 0.00 C ATOM 0 H MET A 19 30.845 -9.996 -19.323 1.00 0.00 H new ATOM 0 HA MET A 19 30.554 -9.678 -17.090 1.00 0.00 H new ATOM 0 HB2 MET A 19 30.500 -12.473 -17.551 1.00 0.00 H new ATOM 0 HB3 MET A 19 31.487 -12.273 -16.116 1.00 0.00 H new ATOM 0 HG2 MET A 19 29.083 -10.523 -16.132 1.00 0.00 H new ATOM 0 HG3 MET A 19 28.690 -12.231 -16.166 1.00 0.00 H new ATOM 0 HE1 MET A 19 28.214 -12.162 -12.478 1.00 0.00 H new ATOM 0 HE2 MET A 19 27.520 -11.230 -13.826 1.00 0.00 H new ATOM 0 HE3 MET A 19 27.863 -12.965 -14.027 1.00 0.00 H new ATOM 249 N GLY A 20 32.605 -9.114 -15.786 1.00 0.00 N ATOM 250 CA GLY A 20 33.865 -8.739 -15.084 1.00 0.00 C ATOM 251 C GLY A 20 35.026 -8.778 -16.078 1.00 0.00 C ATOM 252 O GLY A 20 36.085 -9.301 -15.794 1.00 0.00 O ATOM 0 H GLY A 20 31.800 -8.523 -15.581 1.00 0.00 H new ATOM 0 HA2 GLY A 20 33.773 -7.742 -14.654 1.00 0.00 H new ATOM 0 HA3 GLY A 20 34.054 -9.426 -14.259 1.00 0.00 H new ATOM 256 N GLY A 21 34.832 -8.228 -17.245 1.00 0.00 N ATOM 257 CA GLY A 21 35.913 -8.229 -18.261 1.00 0.00 C ATOM 258 C GLY A 21 36.486 -9.639 -18.384 1.00 0.00 C ATOM 259 O GLY A 21 37.614 -9.894 -18.011 1.00 0.00 O ATOM 0 H GLY A 21 33.965 -7.776 -17.537 1.00 0.00 H new ATOM 0 HA2 GLY A 21 35.524 -7.897 -19.223 1.00 0.00 H new ATOM 0 HA3 GLY A 21 36.698 -7.528 -17.975 1.00 0.00 H new ATOM 263 N GLY A 22 35.720 -10.560 -18.899 1.00 0.00 N ATOM 264 CA GLY A 22 36.229 -11.951 -19.036 1.00 0.00 C ATOM 265 C GLY A 22 35.542 -12.647 -20.213 1.00 0.00 C ATOM 266 O GLY A 22 34.544 -13.319 -20.047 1.00 0.00 O ATOM 0 H GLY A 22 34.767 -10.410 -19.230 1.00 0.00 H new ATOM 0 HA2 GLY A 22 37.308 -11.939 -19.190 1.00 0.00 H new ATOM 0 HA3 GLY A 22 36.045 -12.507 -18.117 1.00 0.00 H new ATOM 270 N ASN A 23 36.064 -12.499 -21.404 1.00 0.00 N ATOM 271 CA ASN A 23 35.425 -13.161 -22.573 1.00 0.00 C ATOM 272 C ASN A 23 35.305 -14.663 -22.301 1.00 0.00 C ATOM 273 O ASN A 23 35.978 -15.202 -21.445 1.00 0.00 O ATOM 274 CB ASN A 23 36.271 -12.941 -23.829 1.00 0.00 C ATOM 275 CG ASN A 23 35.350 -12.764 -25.032 1.00 0.00 C ATOM 276 OD1 ASN A 23 34.225 -13.224 -25.025 1.00 0.00 O ATOM 277 ND2 ASN A 23 35.781 -12.109 -26.071 1.00 0.00 N ATOM 0 H ASN A 23 36.899 -11.952 -21.613 1.00 0.00 H new ATOM 0 HA ASN A 23 34.435 -12.732 -22.729 1.00 0.00 H new ATOM 0 HB2 ASN A 23 36.902 -12.061 -23.707 1.00 0.00 H new ATOM 0 HB3 ASN A 23 36.936 -13.790 -23.987 1.00 0.00 H new ATOM 0 HD21 ASN A 23 35.174 -11.981 -26.881 1.00 0.00 H new ATOM 0 HD22 ASN A 23 36.725 -11.724 -26.075 1.00 0.00 H new ATOM 284 N VAL A 24 34.457 -15.346 -23.024 1.00 0.00 N ATOM 285 CA VAL A 24 34.307 -16.812 -22.802 1.00 0.00 C ATOM 286 C VAL A 24 34.245 -17.533 -24.147 1.00 0.00 C ATOM 287 O VAL A 24 34.991 -18.460 -24.395 1.00 0.00 O ATOM 288 CB VAL A 24 33.027 -17.091 -22.011 1.00 0.00 C ATOM 289 CG1 VAL A 24 33.191 -16.580 -20.578 1.00 0.00 C ATOM 290 CG2 VAL A 24 31.847 -16.379 -22.673 1.00 0.00 C ATOM 0 H VAL A 24 33.865 -14.953 -23.755 1.00 0.00 H new ATOM 0 HA VAL A 24 35.164 -17.176 -22.236 1.00 0.00 H new ATOM 0 HB VAL A 24 32.839 -18.165 -21.996 1.00 0.00 H new ATOM 0 HG11 VAL A 24 32.279 -16.779 -20.014 1.00 0.00 H new ATOM 0 HG12 VAL A 24 34.029 -17.090 -20.104 1.00 0.00 H new ATOM 0 HG13 VAL A 24 33.381 -15.507 -20.594 1.00 0.00 H new ATOM 0 HG21 VAL A 24 30.937 -16.580 -22.107 1.00 0.00 H new ATOM 0 HG22 VAL A 24 32.034 -15.305 -22.691 1.00 0.00 H new ATOM 0 HG23 VAL A 24 31.728 -16.744 -23.693 1.00 0.00 H new ATOM 300 N VAL A 25 33.372 -17.117 -25.021 1.00 0.00 N ATOM 301 CA VAL A 25 33.285 -17.787 -26.345 1.00 0.00 C ATOM 302 C VAL A 25 34.699 -17.972 -26.897 1.00 0.00 C ATOM 303 O VAL A 25 35.152 -19.077 -27.117 1.00 0.00 O ATOM 304 CB VAL A 25 32.467 -16.923 -27.304 1.00 0.00 C ATOM 305 CG1 VAL A 25 32.634 -17.454 -28.726 1.00 0.00 C ATOM 306 CG2 VAL A 25 30.991 -16.979 -26.907 1.00 0.00 C ATOM 0 H VAL A 25 32.719 -16.347 -24.876 1.00 0.00 H new ATOM 0 HA VAL A 25 32.800 -18.757 -26.239 1.00 0.00 H new ATOM 0 HB VAL A 25 32.815 -15.891 -27.256 1.00 0.00 H new ATOM 0 HG11 VAL A 25 32.052 -16.841 -29.414 1.00 0.00 H new ATOM 0 HG12 VAL A 25 33.686 -17.416 -29.007 1.00 0.00 H new ATOM 0 HG13 VAL A 25 32.283 -18.485 -28.773 1.00 0.00 H new ATOM 0 HG21 VAL A 25 30.407 -16.363 -27.591 1.00 0.00 H new ATOM 0 HG22 VAL A 25 30.640 -18.010 -26.957 1.00 0.00 H new ATOM 0 HG23 VAL A 25 30.873 -16.604 -25.890 1.00 0.00 H new ATOM 316 N MET A 26 35.402 -16.894 -27.113 1.00 0.00 N ATOM 317 CA MET A 26 36.792 -17.001 -27.638 1.00 0.00 C ATOM 318 C MET A 26 37.597 -17.945 -26.738 1.00 0.00 C ATOM 319 O MET A 26 37.053 -18.609 -25.878 1.00 0.00 O ATOM 320 CB MET A 26 37.447 -15.616 -27.649 1.00 0.00 C ATOM 321 CG MET A 26 37.225 -14.920 -26.302 1.00 0.00 C ATOM 322 SD MET A 26 38.450 -15.504 -25.105 1.00 0.00 S ATOM 323 CE MET A 26 37.307 -16.396 -24.024 1.00 0.00 C ATOM 0 H MET A 26 35.073 -15.943 -26.948 1.00 0.00 H new ATOM 0 HA MET A 26 36.771 -17.393 -28.655 1.00 0.00 H new ATOM 0 HB2 MET A 26 38.515 -15.711 -27.847 1.00 0.00 H new ATOM 0 HB3 MET A 26 37.026 -15.012 -28.453 1.00 0.00 H new ATOM 0 HG2 MET A 26 37.306 -13.840 -26.422 1.00 0.00 H new ATOM 0 HG3 MET A 26 36.219 -15.126 -25.937 1.00 0.00 H new ATOM 0 HE1 MET A 26 37.401 -16.020 -23.005 1.00 0.00 H new ATOM 0 HE2 MET A 26 36.285 -16.247 -24.373 1.00 0.00 H new ATOM 0 HE3 MET A 26 37.545 -17.460 -24.041 1.00 0.00 H new ATOM 333 N ALA A 27 38.887 -18.019 -26.928 1.00 0.00 N ATOM 334 CA ALA A 27 39.705 -18.932 -26.079 1.00 0.00 C ATOM 335 C ALA A 27 40.907 -18.182 -25.498 1.00 0.00 C ATOM 336 O ALA A 27 41.716 -18.750 -24.792 1.00 0.00 O ATOM 337 CB ALA A 27 40.200 -20.104 -26.928 1.00 0.00 C ATOM 0 H ALA A 27 39.407 -17.491 -27.629 1.00 0.00 H new ATOM 0 HA ALA A 27 39.089 -19.301 -25.259 1.00 0.00 H new ATOM 0 HB1 ALA A 27 40.799 -20.774 -26.310 1.00 0.00 H new ATOM 0 HB2 ALA A 27 39.346 -20.648 -27.330 1.00 0.00 H new ATOM 0 HB3 ALA A 27 40.809 -19.727 -27.749 1.00 0.00 H new ATOM 343 N ASN A 28 41.035 -16.915 -25.783 1.00 0.00 N ATOM 344 CA ASN A 28 42.188 -16.153 -25.239 1.00 0.00 C ATOM 345 C ASN A 28 41.873 -14.652 -25.191 1.00 0.00 C ATOM 346 O ASN A 28 42.369 -13.937 -24.344 1.00 0.00 O ATOM 347 CB ASN A 28 43.422 -16.395 -26.117 1.00 0.00 C ATOM 348 CG ASN A 28 43.321 -15.558 -27.397 1.00 0.00 C ATOM 349 OD1 ASN A 28 42.231 -15.611 -28.114 1.00 0.00 O flip ATOM 350 ND2 ASN A 28 44.242 -14.847 -27.745 1.00 0.00 N flip ATOM 0 H ASN A 28 40.393 -16.379 -26.367 1.00 0.00 H new ATOM 0 HA ASN A 28 42.386 -16.497 -24.224 1.00 0.00 H new ATOM 0 HB2 ASN A 28 44.327 -16.131 -25.569 1.00 0.00 H new ATOM 0 HB3 ASN A 28 43.499 -17.453 -26.368 1.00 0.00 H new ATOM 0 HD21 ASN A 28 45.094 -14.805 -27.185 1.00 0.00 H new ATOM 0 HD22 ASN A 28 44.164 -14.292 -28.597 1.00 0.00 H new ATOM 357 N LYS A 29 41.065 -14.164 -26.093 1.00 0.00 N ATOM 358 CA LYS A 29 40.743 -12.711 -26.090 1.00 0.00 C ATOM 359 C LYS A 29 39.751 -12.404 -24.968 1.00 0.00 C ATOM 360 O LYS A 29 38.566 -12.632 -25.100 1.00 0.00 O ATOM 361 CB LYS A 29 40.119 -12.327 -27.433 1.00 0.00 C ATOM 362 CG LYS A 29 40.755 -13.155 -28.554 1.00 0.00 C ATOM 363 CD LYS A 29 40.627 -12.400 -29.880 1.00 0.00 C ATOM 364 CE LYS A 29 40.988 -13.335 -31.038 1.00 0.00 C ATOM 365 NZ LYS A 29 41.741 -12.574 -32.075 1.00 0.00 N ATOM 0 H LYS A 29 40.616 -14.708 -26.829 1.00 0.00 H new ATOM 0 HA LYS A 29 41.658 -12.140 -25.931 1.00 0.00 H new ATOM 0 HB2 LYS A 29 39.043 -12.498 -27.407 1.00 0.00 H new ATOM 0 HB3 LYS A 29 40.268 -11.264 -27.623 1.00 0.00 H new ATOM 0 HG2 LYS A 29 41.805 -13.344 -28.330 1.00 0.00 H new ATOM 0 HG3 LYS A 29 40.265 -14.126 -28.627 1.00 0.00 H new ATOM 0 HD2 LYS A 29 39.610 -12.029 -30.002 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.286 -11.532 -29.881 1.00 0.00 H new ATOM 0 HE2 LYS A 29 41.590 -14.167 -30.673 1.00 0.00 H new ATOM 0 HE3 LYS A 29 40.083 -13.762 -31.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 41.986 -13.209 -32.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 41.151 -11.794 -32.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 42.612 -12.187 -31.658 1.00 0.00 H new ATOM 379 N THR A 30 40.218 -11.876 -23.868 1.00 0.00 N ATOM 380 CA THR A 30 39.278 -11.547 -22.758 1.00 0.00 C ATOM 381 C THR A 30 38.854 -10.076 -22.898 1.00 0.00 C ATOM 382 O THR A 30 38.759 -9.564 -23.996 1.00 0.00 O ATOM 383 CB THR A 30 39.965 -11.801 -21.409 1.00 0.00 C ATOM 384 OG1 THR A 30 38.995 -11.770 -20.373 1.00 0.00 O ATOM 385 CG2 THR A 30 41.025 -10.738 -21.143 1.00 0.00 C ATOM 0 H THR A 30 41.199 -11.660 -23.691 1.00 0.00 H new ATOM 0 HA THR A 30 38.391 -12.178 -22.806 1.00 0.00 H new ATOM 0 HB THR A 30 40.446 -12.779 -21.437 1.00 0.00 H new ATOM 0 HG1 THR A 30 39.207 -12.456 -19.706 1.00 0.00 H new ATOM 0 HG21 THR A 30 41.503 -10.933 -20.183 1.00 0.00 H new ATOM 0 HG22 THR A 30 41.775 -10.766 -21.934 1.00 0.00 H new ATOM 0 HG23 THR A 30 40.556 -9.754 -21.122 1.00 0.00 H new ATOM 393 N LEU A 31 38.613 -9.377 -21.815 1.00 0.00 N ATOM 394 CA LEU A 31 38.218 -7.936 -21.944 1.00 0.00 C ATOM 395 C LEU A 31 39.254 -7.059 -21.257 1.00 0.00 C ATOM 396 O LEU A 31 39.254 -5.853 -21.408 1.00 0.00 O ATOM 397 CB LEU A 31 36.855 -7.682 -21.290 1.00 0.00 C ATOM 398 CG LEU A 31 35.690 -7.748 -22.315 1.00 0.00 C ATOM 399 CD1 LEU A 31 35.083 -6.359 -22.493 1.00 0.00 C ATOM 400 CD2 LEU A 31 36.145 -8.255 -23.692 1.00 0.00 C ATOM 0 H LEU A 31 38.671 -9.733 -20.861 1.00 0.00 H new ATOM 0 HA LEU A 31 38.157 -7.695 -23.005 1.00 0.00 H new ATOM 0 HB2 LEU A 31 36.688 -8.419 -20.505 1.00 0.00 H new ATOM 0 HB3 LEU A 31 36.861 -6.703 -20.812 1.00 0.00 H new ATOM 0 HG LEU A 31 34.958 -8.451 -21.917 1.00 0.00 H new ATOM 0 HD11 LEU A 31 34.266 -6.409 -23.213 1.00 0.00 H new ATOM 0 HD12 LEU A 31 34.702 -6.003 -21.536 1.00 0.00 H new ATOM 0 HD13 LEU A 31 35.847 -5.672 -22.858 1.00 0.00 H new ATOM 0 HD21 LEU A 31 35.292 -8.282 -24.370 1.00 0.00 H new ATOM 0 HD22 LEU A 31 36.906 -7.586 -24.093 1.00 0.00 H new ATOM 0 HD23 LEU A 31 36.560 -9.258 -23.592 1.00 0.00 H new ATOM 412 N LYS A 32 40.140 -7.641 -20.511 1.00 0.00 N ATOM 413 CA LYS A 32 41.163 -6.815 -19.838 1.00 0.00 C ATOM 414 C LYS A 32 41.804 -5.882 -20.871 1.00 0.00 C ATOM 415 O LYS A 32 41.378 -4.760 -21.056 1.00 0.00 O ATOM 416 CB LYS A 32 42.235 -7.720 -19.225 1.00 0.00 C ATOM 417 CG LYS A 32 41.890 -8.010 -17.762 1.00 0.00 C ATOM 418 CD LYS A 32 42.258 -9.458 -17.427 1.00 0.00 C ATOM 419 CE LYS A 32 43.729 -9.710 -17.770 1.00 0.00 C ATOM 420 NZ LYS A 32 43.888 -11.098 -18.292 1.00 0.00 N ATOM 0 H LYS A 32 40.199 -8.645 -20.340 1.00 0.00 H new ATOM 0 HA LYS A 32 40.700 -6.227 -19.046 1.00 0.00 H new ATOM 0 HB2 LYS A 32 42.301 -8.653 -19.785 1.00 0.00 H new ATOM 0 HB3 LYS A 32 43.211 -7.239 -19.290 1.00 0.00 H new ATOM 0 HG2 LYS A 32 42.430 -7.326 -17.108 1.00 0.00 H new ATOM 0 HG3 LYS A 32 40.827 -7.844 -17.588 1.00 0.00 H new ATOM 0 HD2 LYS A 32 42.083 -9.652 -16.369 1.00 0.00 H new ATOM 0 HD3 LYS A 32 41.622 -10.144 -17.986 1.00 0.00 H new ATOM 0 HE2 LYS A 32 44.068 -8.989 -18.514 1.00 0.00 H new ATOM 0 HE3 LYS A 32 44.349 -9.570 -16.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 44.791 -11.176 -18.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 43.878 -11.770 -17.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 43.105 -11.317 -18.941 1.00 0.00 H new ATOM 434 N LYS A 33 42.820 -6.337 -21.555 1.00 0.00 N ATOM 435 CA LYS A 33 43.472 -5.466 -22.577 1.00 0.00 C ATOM 436 C LYS A 33 44.830 -6.050 -22.971 1.00 0.00 C ATOM 437 O LYS A 33 45.227 -6.012 -24.120 1.00 0.00 O ATOM 438 CB LYS A 33 43.681 -4.068 -21.993 1.00 0.00 C ATOM 439 CG LYS A 33 44.049 -4.185 -20.512 1.00 0.00 C ATOM 440 CD LYS A 33 45.330 -3.394 -20.242 1.00 0.00 C ATOM 441 CE LYS A 33 46.476 -4.368 -19.964 1.00 0.00 C ATOM 442 NZ LYS A 33 47.600 -3.641 -19.309 1.00 0.00 N ATOM 0 H LYS A 33 43.225 -7.268 -21.452 1.00 0.00 H new ATOM 0 HA LYS A 33 42.832 -5.410 -23.458 1.00 0.00 H new ATOM 0 HB2 LYS A 33 44.472 -3.550 -22.536 1.00 0.00 H new ATOM 0 HB3 LYS A 33 42.774 -3.475 -22.108 1.00 0.00 H new ATOM 0 HG2 LYS A 33 43.236 -3.805 -19.893 1.00 0.00 H new ATOM 0 HG3 LYS A 33 44.191 -5.232 -20.243 1.00 0.00 H new ATOM 0 HD2 LYS A 33 45.571 -2.766 -21.100 1.00 0.00 H new ATOM 0 HD3 LYS A 33 45.188 -2.729 -19.390 1.00 0.00 H new ATOM 0 HE2 LYS A 33 46.131 -5.179 -19.322 1.00 0.00 H new ATOM 0 HE3 LYS A 33 46.816 -4.821 -20.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 48.379 -4.304 -19.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 47.935 -2.882 -19.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 47.271 -3.229 -18.413 1.00 0.00 H new ATOM 456 N GLU A 34 45.549 -6.581 -22.024 1.00 0.00 N ATOM 457 CA GLU A 34 46.885 -7.157 -22.330 1.00 0.00 C ATOM 458 C GLU A 34 46.762 -8.168 -23.471 1.00 0.00 C ATOM 459 O GLU A 34 47.700 -8.411 -24.204 1.00 0.00 O ATOM 460 CB GLU A 34 47.432 -7.857 -21.084 1.00 0.00 C ATOM 461 CG GLU A 34 46.281 -8.524 -20.325 1.00 0.00 C ATOM 462 CD GLU A 34 46.833 -9.636 -19.431 1.00 0.00 C ATOM 463 OE1 GLU A 34 47.699 -9.346 -18.622 1.00 0.00 O ATOM 464 OE2 GLU A 34 46.379 -10.760 -19.571 1.00 0.00 O ATOM 0 H GLU A 34 45.267 -6.641 -21.046 1.00 0.00 H new ATOM 0 HA GLU A 34 47.564 -6.359 -22.629 1.00 0.00 H new ATOM 0 HB2 GLU A 34 48.174 -8.603 -21.369 1.00 0.00 H new ATOM 0 HB3 GLU A 34 47.936 -7.136 -20.441 1.00 0.00 H new ATOM 0 HG2 GLU A 34 45.754 -7.786 -19.721 1.00 0.00 H new ATOM 0 HG3 GLU A 34 45.557 -8.935 -21.029 1.00 0.00 H new ATOM 471 N ALA A 35 45.616 -8.770 -23.617 1.00 0.00 N ATOM 472 CA ALA A 35 45.430 -9.777 -24.689 1.00 0.00 C ATOM 473 C ALA A 35 44.559 -9.210 -25.813 1.00 0.00 C ATOM 474 O ALA A 35 45.004 -9.011 -26.927 1.00 0.00 O ATOM 475 CB ALA A 35 44.749 -11.012 -24.096 1.00 0.00 C ATOM 0 H ALA A 35 44.796 -8.604 -23.034 1.00 0.00 H new ATOM 0 HA ALA A 35 46.403 -10.043 -25.101 1.00 0.00 H new ATOM 0 HB1 ALA A 35 44.607 -11.759 -24.877 1.00 0.00 H new ATOM 0 HB2 ALA A 35 45.373 -11.427 -23.305 1.00 0.00 H new ATOM 0 HB3 ALA A 35 43.780 -10.730 -23.683 1.00 0.00 H new ATOM 481 N LEU A 36 43.317 -8.973 -25.524 1.00 0.00 N ATOM 482 CA LEU A 36 42.371 -8.444 -26.550 1.00 0.00 C ATOM 483 C LEU A 36 42.905 -7.164 -27.191 1.00 0.00 C ATOM 484 O LEU A 36 42.682 -6.911 -28.354 1.00 0.00 O ATOM 485 CB LEU A 36 41.038 -8.122 -25.882 1.00 0.00 C ATOM 486 CG LEU A 36 41.307 -7.450 -24.538 1.00 0.00 C ATOM 487 CD1 LEU A 36 40.294 -6.333 -24.299 1.00 0.00 C ATOM 488 CD2 LEU A 36 41.184 -8.481 -23.431 1.00 0.00 C ATOM 0 H LEU A 36 42.904 -9.125 -24.604 1.00 0.00 H new ATOM 0 HA LEU A 36 42.251 -9.204 -27.322 1.00 0.00 H new ATOM 0 HB2 LEU A 36 40.446 -7.466 -26.520 1.00 0.00 H new ATOM 0 HB3 LEU A 36 40.459 -9.034 -25.738 1.00 0.00 H new ATOM 0 HG LEU A 36 42.311 -7.027 -24.544 1.00 0.00 H new ATOM 0 HD11 LEU A 36 40.494 -5.860 -23.338 1.00 0.00 H new ATOM 0 HD12 LEU A 36 40.377 -5.591 -25.093 1.00 0.00 H new ATOM 0 HD13 LEU A 36 39.287 -6.750 -24.295 1.00 0.00 H new ATOM 0 HD21 LEU A 36 41.375 -8.006 -22.469 1.00 0.00 H new ATOM 0 HD22 LEU A 36 40.178 -8.901 -23.435 1.00 0.00 H new ATOM 0 HD23 LEU A 36 41.910 -9.277 -23.593 1.00 0.00 H new ATOM 500 N GLU A 37 43.571 -6.328 -26.455 1.00 0.00 N ATOM 501 CA GLU A 37 44.048 -5.073 -27.072 1.00 0.00 C ATOM 502 C GLU A 37 45.158 -5.370 -28.082 1.00 0.00 C ATOM 503 O GLU A 37 45.330 -4.661 -29.054 1.00 0.00 O ATOM 504 CB GLU A 37 44.579 -4.122 -26.007 1.00 0.00 C ATOM 505 CG GLU A 37 44.865 -2.768 -26.662 1.00 0.00 C ATOM 506 CD GLU A 37 46.247 -2.275 -26.233 1.00 0.00 C ATOM 507 OE1 GLU A 37 46.428 -2.040 -25.050 1.00 0.00 O ATOM 508 OE2 GLU A 37 47.101 -2.142 -27.094 1.00 0.00 O ATOM 0 H GLU A 37 43.802 -6.457 -25.470 1.00 0.00 H new ATOM 0 HA GLU A 37 43.207 -4.604 -27.583 1.00 0.00 H new ATOM 0 HB2 GLU A 37 43.851 -4.008 -25.204 1.00 0.00 H new ATOM 0 HB3 GLU A 37 45.487 -4.525 -25.558 1.00 0.00 H new ATOM 0 HG2 GLU A 37 44.821 -2.861 -27.747 1.00 0.00 H new ATOM 0 HG3 GLU A 37 44.103 -2.044 -26.373 1.00 0.00 H new ATOM 515 N GLN A 38 45.924 -6.400 -27.852 1.00 0.00 N ATOM 516 CA GLN A 38 47.027 -6.729 -28.782 1.00 0.00 C ATOM 517 C GLN A 38 46.473 -7.436 -30.017 1.00 0.00 C ATOM 518 O GLN A 38 46.563 -6.944 -31.124 1.00 0.00 O ATOM 519 CB GLN A 38 48.017 -7.660 -28.078 1.00 0.00 C ATOM 520 CG GLN A 38 48.592 -6.957 -26.847 1.00 0.00 C ATOM 521 CD GLN A 38 49.092 -5.567 -27.243 1.00 0.00 C ATOM 522 OE1 GLN A 38 48.232 -4.599 -27.404 1.00 0.00 O flip ATOM 523 NE2 GLN A 38 50.278 -5.358 -27.410 1.00 0.00 N flip ATOM 0 H GLN A 38 45.829 -7.028 -27.054 1.00 0.00 H new ATOM 0 HA GLN A 38 47.527 -5.809 -29.085 1.00 0.00 H new ATOM 0 HB2 GLN A 38 47.518 -8.583 -27.783 1.00 0.00 H new ATOM 0 HB3 GLN A 38 48.821 -7.937 -28.760 1.00 0.00 H new ATOM 0 HG2 GLN A 38 47.829 -6.874 -26.073 1.00 0.00 H new ATOM 0 HG3 GLN A 38 49.409 -7.544 -26.428 1.00 0.00 H new ATOM 0 HE21 GLN A 38 50.952 -6.114 -27.285 1.00 0.00 H new ATOM 0 HE22 GLN A 38 50.599 -4.427 -27.676 1.00 0.00 H new ATOM 532 N PHE A 39 45.923 -8.599 -29.831 1.00 0.00 N ATOM 533 CA PHE A 39 45.383 -9.367 -30.977 1.00 0.00 C ATOM 534 C PHE A 39 43.897 -9.092 -31.154 1.00 0.00 C ATOM 535 O PHE A 39 43.323 -9.347 -32.194 1.00 0.00 O ATOM 536 CB PHE A 39 45.582 -10.854 -30.703 1.00 0.00 C ATOM 537 CG PHE A 39 45.051 -11.219 -29.330 1.00 0.00 C ATOM 538 CD1 PHE A 39 43.690 -11.054 -29.013 1.00 0.00 C ATOM 539 CD2 PHE A 39 45.930 -11.734 -28.368 1.00 0.00 C ATOM 540 CE1 PHE A 39 43.222 -11.404 -27.742 1.00 0.00 C ATOM 541 CE2 PHE A 39 45.455 -12.085 -27.099 1.00 0.00 C ATOM 542 CZ PHE A 39 44.102 -11.918 -26.787 1.00 0.00 C ATOM 0 H PHE A 39 45.824 -9.054 -28.923 1.00 0.00 H new ATOM 0 HA PHE A 39 45.906 -9.068 -31.885 1.00 0.00 H new ATOM 0 HB2 PHE A 39 45.070 -11.442 -31.465 1.00 0.00 H new ATOM 0 HB3 PHE A 39 46.641 -11.103 -30.767 1.00 0.00 H new ATOM 0 HD1 PHE A 39 43.007 -10.658 -29.750 1.00 0.00 H new ATOM 0 HD2 PHE A 39 46.976 -11.860 -28.606 1.00 0.00 H new ATOM 0 HE1 PHE A 39 42.178 -11.276 -27.499 1.00 0.00 H new ATOM 0 HE2 PHE A 39 46.134 -12.485 -26.360 1.00 0.00 H new ATOM 0 HZ PHE A 39 43.737 -12.187 -25.807 1.00 0.00 H new ATOM 552 N GLY A 40 43.268 -8.617 -30.131 1.00 0.00 N ATOM 553 CA GLY A 40 41.804 -8.368 -30.204 1.00 0.00 C ATOM 554 C GLY A 40 41.515 -6.967 -30.703 1.00 0.00 C ATOM 555 O GLY A 40 40.409 -6.672 -31.111 1.00 0.00 O ATOM 0 H GLY A 40 43.702 -8.387 -29.237 1.00 0.00 H new ATOM 0 HA2 GLY A 40 41.340 -9.097 -30.868 1.00 0.00 H new ATOM 0 HA3 GLY A 40 41.359 -8.506 -29.219 1.00 0.00 H new ATOM 559 N MET A 41 42.465 -6.079 -30.633 1.00 0.00 N ATOM 560 CA MET A 41 42.171 -4.691 -31.058 1.00 0.00 C ATOM 561 C MET A 41 40.888 -4.299 -30.351 1.00 0.00 C ATOM 562 O MET A 41 39.820 -4.258 -30.925 1.00 0.00 O ATOM 563 CB MET A 41 42.017 -4.619 -32.572 1.00 0.00 C ATOM 564 CG MET A 41 43.316 -4.065 -33.154 1.00 0.00 C ATOM 565 SD MET A 41 42.938 -2.912 -34.498 1.00 0.00 S ATOM 566 CE MET A 41 44.279 -1.741 -34.176 1.00 0.00 C ATOM 0 H MET A 41 43.415 -6.252 -30.305 1.00 0.00 H new ATOM 0 HA MET A 41 42.980 -4.009 -30.798 1.00 0.00 H new ATOM 0 HB2 MET A 41 41.808 -5.607 -32.981 1.00 0.00 H new ATOM 0 HB3 MET A 41 41.176 -3.979 -32.839 1.00 0.00 H new ATOM 0 HG2 MET A 41 43.887 -3.558 -32.376 1.00 0.00 H new ATOM 0 HG3 MET A 41 43.937 -4.881 -33.525 1.00 0.00 H new ATOM 0 HE1 MET A 41 44.236 -0.930 -34.903 1.00 0.00 H new ATOM 0 HE2 MET A 41 44.172 -1.333 -33.171 1.00 0.00 H new ATOM 0 HE3 MET A 41 45.237 -2.253 -34.260 1.00 0.00 H new ATOM 576 N TYR A 42 41.015 -4.112 -29.070 1.00 0.00 N ATOM 577 CA TYR A 42 39.858 -3.798 -28.195 1.00 0.00 C ATOM 578 C TYR A 42 39.800 -2.289 -27.851 1.00 0.00 C ATOM 579 O TYR A 42 38.865 -1.830 -27.225 1.00 0.00 O ATOM 580 CB TYR A 42 40.041 -4.644 -26.922 1.00 0.00 C ATOM 581 CG TYR A 42 40.462 -3.783 -25.747 1.00 0.00 C ATOM 582 CD1 TYR A 42 41.719 -3.166 -25.742 1.00 0.00 C ATOM 583 CD2 TYR A 42 39.589 -3.597 -24.670 1.00 0.00 C ATOM 584 CE1 TYR A 42 42.104 -2.368 -24.658 1.00 0.00 C ATOM 585 CE2 TYR A 42 39.974 -2.798 -23.584 1.00 0.00 C ATOM 586 CZ TYR A 42 41.232 -2.184 -23.579 1.00 0.00 C ATOM 587 OH TYR A 42 41.610 -1.396 -22.511 1.00 0.00 O ATOM 0 H TYR A 42 41.907 -4.166 -28.577 1.00 0.00 H new ATOM 0 HA TYR A 42 38.919 -4.031 -28.696 1.00 0.00 H new ATOM 0 HB2 TYR A 42 39.108 -5.156 -26.685 1.00 0.00 H new ATOM 0 HB3 TYR A 42 40.791 -5.414 -27.099 1.00 0.00 H new ATOM 0 HD1 TYR A 42 42.392 -3.306 -26.575 1.00 0.00 H new ATOM 0 HD2 TYR A 42 38.618 -4.069 -24.675 1.00 0.00 H new ATOM 0 HE1 TYR A 42 43.074 -1.894 -24.654 1.00 0.00 H new ATOM 0 HE2 TYR A 42 39.300 -2.656 -22.752 1.00 0.00 H new ATOM 0 HH TYR A 42 42.223 -0.697 -22.821 1.00 0.00 H new ATOM 597 N SER A 43 40.785 -1.524 -28.238 1.00 0.00 N ATOM 598 CA SER A 43 40.776 -0.065 -27.914 1.00 0.00 C ATOM 599 C SER A 43 39.420 0.551 -28.280 1.00 0.00 C ATOM 600 O SER A 43 38.563 -0.097 -28.833 1.00 0.00 O ATOM 601 CB SER A 43 41.894 0.638 -28.688 1.00 0.00 C ATOM 602 OG SER A 43 42.008 0.078 -29.987 1.00 0.00 O ATOM 0 H SER A 43 41.597 -1.845 -28.765 1.00 0.00 H new ATOM 0 HA SER A 43 40.940 0.063 -26.844 1.00 0.00 H new ATOM 0 HB2 SER A 43 41.683 1.705 -28.760 1.00 0.00 H new ATOM 0 HB3 SER A 43 42.839 0.535 -28.154 1.00 0.00 H new ATOM 0 HG SER A 43 42.724 0.533 -30.478 1.00 0.00 H new ATOM 608 N GLU A 44 39.219 1.804 -27.970 1.00 0.00 N ATOM 609 CA GLU A 44 37.919 2.457 -28.291 1.00 0.00 C ATOM 610 C GLU A 44 37.484 2.069 -29.699 1.00 0.00 C ATOM 611 O GLU A 44 36.642 1.225 -29.886 1.00 0.00 O ATOM 612 CB GLU A 44 38.078 3.977 -28.208 1.00 0.00 C ATOM 613 CG GLU A 44 37.176 4.524 -27.100 1.00 0.00 C ATOM 614 CD GLU A 44 37.730 5.861 -26.605 1.00 0.00 C ATOM 615 OE1 GLU A 44 38.868 5.882 -26.166 1.00 0.00 O ATOM 616 OE2 GLU A 44 37.007 6.842 -26.673 1.00 0.00 O ATOM 0 H GLU A 44 39.902 2.404 -27.507 1.00 0.00 H new ATOM 0 HA GLU A 44 37.164 2.129 -27.576 1.00 0.00 H new ATOM 0 HB2 GLU A 44 39.118 4.234 -28.005 1.00 0.00 H new ATOM 0 HB3 GLU A 44 37.817 4.433 -29.163 1.00 0.00 H new ATOM 0 HG2 GLU A 44 36.161 4.655 -27.474 1.00 0.00 H new ATOM 0 HG3 GLU A 44 37.122 3.813 -26.276 1.00 0.00 H new ATOM 623 N ASP A 45 38.047 2.679 -30.694 1.00 0.00 N ATOM 624 CA ASP A 45 37.656 2.349 -32.082 1.00 0.00 C ATOM 625 C ASP A 45 37.754 0.842 -32.316 1.00 0.00 C ATOM 626 O ASP A 45 37.167 0.303 -33.233 1.00 0.00 O ATOM 627 CB ASP A 45 38.586 3.078 -33.029 1.00 0.00 C ATOM 628 CG ASP A 45 37.966 3.135 -34.425 1.00 0.00 C ATOM 629 OD1 ASP A 45 36.906 2.558 -34.604 1.00 0.00 O ATOM 630 OD2 ASP A 45 38.559 3.756 -35.291 1.00 0.00 O ATOM 0 H ASP A 45 38.766 3.397 -30.605 1.00 0.00 H new ATOM 0 HA ASP A 45 36.625 2.657 -32.257 1.00 0.00 H new ATOM 0 HB2 ASP A 45 38.773 4.088 -32.663 1.00 0.00 H new ATOM 0 HB3 ASP A 45 39.549 2.570 -33.070 1.00 0.00 H new ATOM 635 N ALA A 46 38.495 0.163 -31.496 1.00 0.00 N ATOM 636 CA ALA A 46 38.649 -1.307 -31.656 1.00 0.00 C ATOM 637 C ALA A 46 37.378 -2.025 -31.202 1.00 0.00 C ATOM 638 O ALA A 46 36.533 -2.396 -31.996 1.00 0.00 O ATOM 639 CB ALA A 46 39.826 -1.750 -30.801 1.00 0.00 C ATOM 0 H ALA A 46 39.008 0.566 -30.712 1.00 0.00 H new ATOM 0 HA ALA A 46 38.823 -1.554 -32.703 1.00 0.00 H new ATOM 0 HB1 ALA A 46 39.962 -2.827 -30.899 1.00 0.00 H new ATOM 0 HB2 ALA A 46 40.729 -1.238 -31.132 1.00 0.00 H new ATOM 0 HB3 ALA A 46 39.631 -1.503 -29.757 1.00 0.00 H new ATOM 645 N ILE A 47 37.244 -2.232 -29.935 1.00 0.00 N ATOM 646 CA ILE A 47 36.043 -2.922 -29.408 1.00 0.00 C ATOM 647 C ILE A 47 34.780 -2.293 -30.004 1.00 0.00 C ATOM 648 O ILE A 47 33.785 -2.951 -30.229 1.00 0.00 O ATOM 649 CB ILE A 47 36.028 -2.750 -27.901 1.00 0.00 C ATOM 650 CG1 ILE A 47 34.767 -3.372 -27.317 1.00 0.00 C ATOM 651 CG2 ILE A 47 36.039 -1.274 -27.527 1.00 0.00 C ATOM 652 CD1 ILE A 47 34.871 -3.318 -25.797 1.00 0.00 C ATOM 0 H ILE A 47 37.923 -1.950 -29.228 1.00 0.00 H new ATOM 0 HA ILE A 47 36.069 -3.979 -29.674 1.00 0.00 H new ATOM 0 HB ILE A 47 36.916 -3.240 -27.502 1.00 0.00 H new ATOM 0 HG12 ILE A 47 33.884 -2.832 -27.657 1.00 0.00 H new ATOM 0 HG13 ILE A 47 34.660 -4.403 -27.655 1.00 0.00 H new ATOM 0 HG21 ILE A 47 36.028 -1.174 -26.442 1.00 0.00 H new ATOM 0 HG22 ILE A 47 36.938 -0.804 -27.926 1.00 0.00 H new ATOM 0 HG23 ILE A 47 35.159 -0.786 -27.945 1.00 0.00 H new ATOM 0 HD11 ILE A 47 33.977 -3.759 -25.355 1.00 0.00 H new ATOM 0 HD12 ILE A 47 35.749 -3.876 -25.472 1.00 0.00 H new ATOM 0 HD13 ILE A 47 34.961 -2.281 -25.475 1.00 0.00 H new ATOM 664 N ILE A 48 34.821 -1.013 -30.245 1.00 0.00 N ATOM 665 CA ILE A 48 33.644 -0.296 -30.808 1.00 0.00 C ATOM 666 C ILE A 48 33.211 -0.950 -32.129 1.00 0.00 C ATOM 667 O ILE A 48 32.037 -1.116 -32.391 1.00 0.00 O ATOM 668 CB ILE A 48 34.036 1.171 -31.035 1.00 0.00 C ATOM 669 CG1 ILE A 48 34.173 1.879 -29.687 1.00 0.00 C ATOM 670 CG2 ILE A 48 32.965 1.888 -31.842 1.00 0.00 C ATOM 671 CD1 ILE A 48 34.832 3.244 -29.895 1.00 0.00 C ATOM 0 H ILE A 48 35.635 -0.423 -30.072 1.00 0.00 H new ATOM 0 HA ILE A 48 32.804 -0.349 -30.116 1.00 0.00 H new ATOM 0 HB ILE A 48 34.981 1.194 -31.577 1.00 0.00 H new ATOM 0 HG12 ILE A 48 33.192 2.002 -29.227 1.00 0.00 H new ATOM 0 HG13 ILE A 48 34.771 1.274 -29.005 1.00 0.00 H new ATOM 0 HG21 ILE A 48 33.258 2.927 -31.994 1.00 0.00 H new ATOM 0 HG22 ILE A 48 32.849 1.398 -32.809 1.00 0.00 H new ATOM 0 HG23 ILE A 48 32.019 1.854 -31.302 1.00 0.00 H new ATOM 0 HD11 ILE A 48 34.931 3.751 -28.935 1.00 0.00 H new ATOM 0 HD12 ILE A 48 35.819 3.108 -30.337 1.00 0.00 H new ATOM 0 HD13 ILE A 48 34.216 3.847 -30.562 1.00 0.00 H new ATOM 683 N TYR A 49 34.146 -1.326 -32.960 1.00 0.00 N ATOM 684 CA TYR A 49 33.781 -1.968 -34.259 1.00 0.00 C ATOM 685 C TYR A 49 33.414 -3.442 -34.047 1.00 0.00 C ATOM 686 O TYR A 49 32.675 -4.009 -34.824 1.00 0.00 O ATOM 687 CB TYR A 49 34.954 -1.868 -35.239 1.00 0.00 C ATOM 688 CG TYR A 49 34.722 -2.828 -36.380 1.00 0.00 C ATOM 689 CD1 TYR A 49 33.649 -2.623 -37.254 1.00 0.00 C ATOM 690 CD2 TYR A 49 35.560 -3.935 -36.546 1.00 0.00 C ATOM 691 CE1 TYR A 49 33.415 -3.525 -38.295 1.00 0.00 C ATOM 692 CE2 TYR A 49 35.329 -4.836 -37.590 1.00 0.00 C ATOM 693 CZ TYR A 49 34.254 -4.632 -38.465 1.00 0.00 C ATOM 694 OH TYR A 49 34.024 -5.525 -39.493 1.00 0.00 O ATOM 0 H TYR A 49 35.147 -1.217 -32.797 1.00 0.00 H new ATOM 0 HA TYR A 49 32.918 -1.446 -34.671 1.00 0.00 H new ATOM 0 HB2 TYR A 49 35.044 -0.849 -35.616 1.00 0.00 H new ATOM 0 HB3 TYR A 49 35.890 -2.104 -34.732 1.00 0.00 H new ATOM 0 HD1 TYR A 49 33.002 -1.768 -37.124 1.00 0.00 H new ATOM 0 HD2 TYR A 49 36.385 -4.094 -35.868 1.00 0.00 H new ATOM 0 HE1 TYR A 49 32.586 -3.368 -38.969 1.00 0.00 H new ATOM 0 HE2 TYR A 49 35.979 -5.689 -37.722 1.00 0.00 H new ATOM 0 HH TYR A 49 34.700 -6.234 -39.468 1.00 0.00 H new ATOM 704 N GLN A 50 33.905 -4.084 -33.027 1.00 0.00 N ATOM 705 CA GLN A 50 33.513 -5.512 -32.848 1.00 0.00 C ATOM 706 C GLN A 50 32.302 -5.581 -31.906 1.00 0.00 C ATOM 707 O GLN A 50 31.741 -6.632 -31.677 1.00 0.00 O ATOM 708 CB GLN A 50 34.669 -6.339 -32.293 1.00 0.00 C ATOM 709 CG GLN A 50 35.323 -5.592 -31.151 1.00 0.00 C ATOM 710 CD GLN A 50 36.640 -4.981 -31.640 1.00 0.00 C ATOM 711 OE1 GLN A 50 36.763 -4.639 -32.893 1.00 0.00 O flip ATOM 712 NE2 GLN A 50 37.566 -4.816 -30.872 1.00 0.00 N flip ATOM 0 H GLN A 50 34.541 -3.700 -32.328 1.00 0.00 H new ATOM 0 HA GLN A 50 33.250 -5.932 -33.819 1.00 0.00 H new ATOM 0 HB2 GLN A 50 34.305 -7.306 -31.947 1.00 0.00 H new ATOM 0 HB3 GLN A 50 35.399 -6.536 -33.078 1.00 0.00 H new ATOM 0 HG2 GLN A 50 34.659 -4.809 -30.784 1.00 0.00 H new ATOM 0 HG3 GLN A 50 35.509 -6.269 -30.317 1.00 0.00 H new ATOM 0 HE21 GLN A 50 37.470 -5.083 -29.892 1.00 0.00 H new ATOM 0 HE22 GLN A 50 38.440 -4.410 -31.207 1.00 0.00 H new ATOM 721 N VAL A 51 31.884 -4.455 -31.382 1.00 0.00 N ATOM 722 CA VAL A 51 30.695 -4.430 -30.480 1.00 0.00 C ATOM 723 C VAL A 51 29.468 -4.092 -31.314 1.00 0.00 C ATOM 724 O VAL A 51 28.443 -4.741 -31.243 1.00 0.00 O ATOM 725 CB VAL A 51 30.882 -3.343 -29.419 1.00 0.00 C ATOM 726 CG1 VAL A 51 29.541 -3.034 -28.745 1.00 0.00 C ATOM 727 CG2 VAL A 51 31.873 -3.824 -28.358 1.00 0.00 C ATOM 0 H VAL A 51 32.320 -3.547 -31.543 1.00 0.00 H new ATOM 0 HA VAL A 51 30.576 -5.399 -29.994 1.00 0.00 H new ATOM 0 HB VAL A 51 31.264 -2.443 -29.901 1.00 0.00 H new ATOM 0 HG11 VAL A 51 29.683 -2.259 -27.991 1.00 0.00 H new ATOM 0 HG12 VAL A 51 28.829 -2.686 -29.494 1.00 0.00 H new ATOM 0 HG13 VAL A 51 29.156 -3.936 -28.270 1.00 0.00 H new ATOM 0 HG21 VAL A 51 32.004 -3.048 -27.604 1.00 0.00 H new ATOM 0 HG22 VAL A 51 31.489 -4.728 -27.885 1.00 0.00 H new ATOM 0 HG23 VAL A 51 32.833 -4.039 -28.828 1.00 0.00 H new ATOM 737 N GLN A 52 29.578 -3.068 -32.106 1.00 0.00 N ATOM 738 CA GLN A 52 28.443 -2.646 -32.958 1.00 0.00 C ATOM 739 C GLN A 52 28.120 -3.729 -33.975 1.00 0.00 C ATOM 740 O GLN A 52 27.138 -3.645 -34.685 1.00 0.00 O ATOM 741 CB GLN A 52 28.837 -1.393 -33.704 1.00 0.00 C ATOM 742 CG GLN A 52 27.982 -0.217 -33.231 1.00 0.00 C ATOM 743 CD GLN A 52 28.469 1.068 -33.903 1.00 0.00 C ATOM 744 OE1 GLN A 52 29.749 1.310 -33.966 1.00 0.00 O flip ATOM 745 NE2 GLN A 52 27.677 1.857 -34.379 1.00 0.00 N flip ATOM 0 H GLN A 52 30.419 -2.499 -32.199 1.00 0.00 H new ATOM 0 HA GLN A 52 27.571 -2.466 -32.329 1.00 0.00 H new ATOM 0 HB2 GLN A 52 29.892 -1.177 -33.538 1.00 0.00 H new ATOM 0 HB3 GLN A 52 28.707 -1.541 -34.776 1.00 0.00 H new ATOM 0 HG2 GLN A 52 26.934 -0.393 -33.475 1.00 0.00 H new ATOM 0 HG3 GLN A 52 28.045 -0.120 -32.147 1.00 0.00 H new ATOM 0 HE21 GLN A 52 26.676 1.667 -34.330 1.00 0.00 H new ATOM 0 HE22 GLN A 52 28.013 2.709 -34.828 1.00 0.00 H new ATOM 754 N HIS A 53 28.933 -4.739 -34.077 1.00 0.00 N ATOM 755 CA HIS A 53 28.643 -5.786 -35.069 1.00 0.00 C ATOM 756 C HIS A 53 29.304 -7.073 -34.626 1.00 0.00 C ATOM 757 O HIS A 53 29.570 -7.949 -35.425 1.00 0.00 O ATOM 758 CB HIS A 53 29.219 -5.402 -36.418 1.00 0.00 C ATOM 759 CG HIS A 53 29.489 -3.916 -36.507 1.00 0.00 C ATOM 760 ND1 HIS A 53 30.251 -3.062 -35.740 1.00 0.00 N flip ATOM 761 CD2 HIS A 53 28.957 -3.135 -37.521 1.00 0.00 C flip ATOM 762 CE1 HIS A 53 30.194 -1.778 -36.273 1.00 0.00 C flip ATOM 763 NE2 HIS A 53 29.402 -1.877 -37.342 1.00 0.00 N flip ATOM 0 H HIS A 53 29.776 -4.878 -33.519 1.00 0.00 H new ATOM 0 HA HIS A 53 27.563 -5.908 -35.151 1.00 0.00 H new ATOM 0 HB2 HIS A 53 30.145 -5.951 -36.588 1.00 0.00 H new ATOM 0 HB3 HIS A 53 28.526 -5.694 -37.207 1.00 0.00 H new ATOM 0 HD1 HIS A 53 30.777 -3.330 -34.908 1.00 0.00 H new ATOM 0 HD2 HIS A 53 28.304 -3.474 -38.311 1.00 0.00 H new ATOM 0 HE1 HIS A 53 30.686 -0.891 -35.901 1.00 0.00 H new ATOM 771 N GLY A 54 29.604 -7.200 -33.367 1.00 0.00 N ATOM 772 CA GLY A 54 30.276 -8.434 -32.932 1.00 0.00 C ATOM 773 C GLY A 54 31.477 -8.629 -33.831 1.00 0.00 C ATOM 774 O GLY A 54 32.248 -7.723 -34.067 1.00 0.00 O ATOM 0 H GLY A 54 29.414 -6.513 -32.638 1.00 0.00 H new ATOM 0 HA2 GLY A 54 30.584 -8.357 -31.889 1.00 0.00 H new ATOM 0 HA3 GLY A 54 29.600 -9.286 -33.003 1.00 0.00 H new ATOM 778 N LYS A 55 31.597 -9.802 -34.335 1.00 0.00 N ATOM 779 CA LYS A 55 32.716 -10.162 -35.259 1.00 0.00 C ATOM 780 C LYS A 55 33.037 -11.641 -35.097 1.00 0.00 C ATOM 781 O LYS A 55 32.995 -12.180 -34.011 1.00 0.00 O ATOM 782 CB LYS A 55 33.969 -9.340 -34.942 1.00 0.00 C ATOM 783 CG LYS A 55 34.190 -8.236 -35.997 1.00 0.00 C ATOM 784 CD LYS A 55 32.872 -7.786 -36.649 1.00 0.00 C ATOM 785 CE LYS A 55 32.797 -8.354 -38.068 1.00 0.00 C ATOM 786 NZ LYS A 55 31.395 -8.757 -38.372 1.00 0.00 N ATOM 0 H LYS A 55 30.949 -10.567 -34.147 1.00 0.00 H new ATOM 0 HA LYS A 55 32.408 -9.949 -36.282 1.00 0.00 H new ATOM 0 HB2 LYS A 55 33.872 -8.889 -33.954 1.00 0.00 H new ATOM 0 HB3 LYS A 55 34.839 -9.996 -34.909 1.00 0.00 H new ATOM 0 HG2 LYS A 55 34.673 -7.379 -35.528 1.00 0.00 H new ATOM 0 HG3 LYS A 55 34.868 -8.602 -36.767 1.00 0.00 H new ATOM 0 HD2 LYS A 55 32.023 -8.133 -36.060 1.00 0.00 H new ATOM 0 HD3 LYS A 55 32.818 -6.698 -36.676 1.00 0.00 H new ATOM 0 HE2 LYS A 55 33.136 -7.608 -38.787 1.00 0.00 H new ATOM 0 HE3 LYS A 55 33.461 -9.213 -38.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 31.213 -8.639 -39.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 31.255 -9.753 -38.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 30.737 -8.160 -37.831 1.00 0.00 H new ATOM 800 N ASN A 56 33.352 -12.302 -36.172 1.00 0.00 N ATOM 801 CA ASN A 56 33.669 -13.748 -36.084 1.00 0.00 C ATOM 802 C ASN A 56 32.513 -14.468 -35.385 1.00 0.00 C ATOM 803 O ASN A 56 31.572 -14.913 -36.014 1.00 0.00 O ATOM 804 CB ASN A 56 34.951 -13.944 -35.275 1.00 0.00 C ATOM 805 CG ASN A 56 36.158 -13.567 -36.134 1.00 0.00 C ATOM 806 OD1 ASN A 56 36.846 -14.427 -36.648 1.00 0.00 O ATOM 807 ND2 ASN A 56 36.447 -12.308 -36.313 1.00 0.00 N ATOM 0 H ASN A 56 33.403 -11.901 -37.109 1.00 0.00 H new ATOM 0 HA ASN A 56 33.810 -14.155 -37.085 1.00 0.00 H new ATOM 0 HB2 ASN A 56 34.924 -13.328 -34.376 1.00 0.00 H new ATOM 0 HB3 ASN A 56 35.033 -14.981 -34.949 1.00 0.00 H new ATOM 0 HD21 ASN A 56 37.250 -12.045 -36.884 1.00 0.00 H new ATOM 0 HD22 ASN A 56 35.870 -11.586 -35.882 1.00 0.00 H new ATOM 814 N ALA A 57 32.573 -14.572 -34.086 1.00 0.00 N ATOM 815 CA ALA A 57 31.481 -15.245 -33.331 1.00 0.00 C ATOM 816 C ALA A 57 30.984 -14.300 -32.235 1.00 0.00 C ATOM 817 O ALA A 57 30.754 -14.700 -31.112 1.00 0.00 O ATOM 818 CB ALA A 57 32.014 -16.530 -32.696 1.00 0.00 C ATOM 0 H ALA A 57 33.338 -14.217 -33.512 1.00 0.00 H new ATOM 0 HA ALA A 57 30.662 -15.493 -34.006 1.00 0.00 H new ATOM 0 HB1 ALA A 57 31.214 -17.022 -32.143 1.00 0.00 H new ATOM 0 HB2 ALA A 57 32.379 -17.197 -33.477 1.00 0.00 H new ATOM 0 HB3 ALA A 57 32.830 -16.288 -32.015 1.00 0.00 H new ATOM 824 N MET A 58 30.829 -13.044 -32.557 1.00 0.00 N ATOM 825 CA MET A 58 30.360 -12.060 -31.542 1.00 0.00 C ATOM 826 C MET A 58 29.038 -11.435 -32.016 1.00 0.00 C ATOM 827 O MET A 58 28.850 -11.216 -33.196 1.00 0.00 O ATOM 828 CB MET A 58 31.434 -10.986 -31.376 1.00 0.00 C ATOM 829 CG MET A 58 31.042 -10.028 -30.261 1.00 0.00 C ATOM 830 SD MET A 58 32.347 -8.799 -30.039 1.00 0.00 S ATOM 831 CE MET A 58 31.297 -7.527 -29.310 1.00 0.00 C ATOM 0 H MET A 58 31.008 -12.657 -33.483 1.00 0.00 H new ATOM 0 HA MET A 58 30.188 -12.549 -30.583 1.00 0.00 H new ATOM 0 HB2 MET A 58 32.393 -11.451 -31.147 1.00 0.00 H new ATOM 0 HB3 MET A 58 31.560 -10.438 -32.310 1.00 0.00 H new ATOM 0 HG2 MET A 58 30.101 -9.535 -30.504 1.00 0.00 H new ATOM 0 HG3 MET A 58 30.883 -10.578 -29.333 1.00 0.00 H new ATOM 0 HE1 MET A 58 31.857 -6.595 -29.229 1.00 0.00 H new ATOM 0 HE2 MET A 58 30.423 -7.371 -29.942 1.00 0.00 H new ATOM 0 HE3 MET A 58 30.976 -7.845 -28.318 1.00 0.00 H new ATOM 841 N PRO A 59 28.145 -11.205 -31.083 1.00 0.00 N ATOM 842 CA PRO A 59 26.807 -10.651 -31.372 1.00 0.00 C ATOM 843 C PRO A 59 26.802 -9.123 -31.540 1.00 0.00 C ATOM 844 O PRO A 59 26.930 -8.387 -30.582 1.00 0.00 O ATOM 845 CB PRO A 59 25.998 -11.034 -30.132 1.00 0.00 C ATOM 846 CG PRO A 59 27.014 -11.254 -28.990 1.00 0.00 C ATOM 847 CD PRO A 59 28.381 -11.488 -29.651 1.00 0.00 C ATOM 0 HA PRO A 59 26.415 -11.037 -32.313 1.00 0.00 H new ATOM 0 HB2 PRO A 59 25.290 -10.247 -29.874 1.00 0.00 H new ATOM 0 HB3 PRO A 59 25.417 -11.938 -30.313 1.00 0.00 H new ATOM 0 HG2 PRO A 59 27.047 -10.387 -28.330 1.00 0.00 H new ATOM 0 HG3 PRO A 59 26.729 -12.110 -28.378 1.00 0.00 H new ATOM 0 HD2 PRO A 59 29.143 -10.828 -29.235 1.00 0.00 H new ATOM 0 HD3 PRO A 59 28.727 -12.510 -29.499 1.00 0.00 H new ATOM 855 N ALA A 60 26.614 -8.648 -32.749 1.00 0.00 N ATOM 856 CA ALA A 60 26.543 -7.180 -32.992 1.00 0.00 C ATOM 857 C ALA A 60 25.786 -6.491 -31.857 1.00 0.00 C ATOM 858 O ALA A 60 25.068 -7.115 -31.100 1.00 0.00 O ATOM 859 CB ALA A 60 25.779 -6.945 -34.295 1.00 0.00 C ATOM 0 H ALA A 60 26.506 -9.225 -33.583 1.00 0.00 H new ATOM 0 HA ALA A 60 27.553 -6.774 -33.049 1.00 0.00 H new ATOM 0 HB1 ALA A 60 25.716 -5.875 -34.492 1.00 0.00 H new ATOM 0 HB2 ALA A 60 26.302 -7.435 -35.117 1.00 0.00 H new ATOM 0 HB3 ALA A 60 24.774 -7.358 -34.207 1.00 0.00 H new ATOM 865 N PHE A 61 25.929 -5.200 -31.746 1.00 0.00 N ATOM 866 CA PHE A 61 25.215 -4.460 -30.682 1.00 0.00 C ATOM 867 C PHE A 61 24.824 -3.074 -31.191 1.00 0.00 C ATOM 868 O PHE A 61 24.460 -2.200 -30.430 1.00 0.00 O ATOM 869 CB PHE A 61 26.113 -4.327 -29.458 1.00 0.00 C ATOM 870 CG PHE A 61 26.112 -5.633 -28.708 1.00 0.00 C ATOM 871 CD1 PHE A 61 24.903 -6.297 -28.467 1.00 0.00 C ATOM 872 CD2 PHE A 61 27.315 -6.179 -28.254 1.00 0.00 C ATOM 873 CE1 PHE A 61 24.900 -7.509 -27.769 1.00 0.00 C ATOM 874 CE2 PHE A 61 27.313 -7.389 -27.555 1.00 0.00 C ATOM 875 CZ PHE A 61 26.107 -8.055 -27.311 1.00 0.00 C ATOM 0 H PHE A 61 26.515 -4.627 -32.353 1.00 0.00 H new ATOM 0 HA PHE A 61 24.313 -5.007 -30.407 1.00 0.00 H new ATOM 0 HB2 PHE A 61 27.127 -4.067 -29.761 1.00 0.00 H new ATOM 0 HB3 PHE A 61 25.757 -3.523 -28.815 1.00 0.00 H new ATOM 0 HD1 PHE A 61 23.974 -5.874 -28.820 1.00 0.00 H new ATOM 0 HD2 PHE A 61 28.246 -5.666 -28.443 1.00 0.00 H new ATOM 0 HE1 PHE A 61 23.969 -8.024 -27.583 1.00 0.00 H new ATOM 0 HE2 PHE A 61 28.243 -7.810 -27.203 1.00 0.00 H new ATOM 0 HZ PHE A 61 26.106 -8.990 -26.770 1.00 0.00 H new ATOM 885 N ALA A 62 24.892 -2.869 -32.476 1.00 0.00 N ATOM 886 CA ALA A 62 24.520 -1.549 -33.041 1.00 0.00 C ATOM 887 C ALA A 62 23.058 -1.231 -32.706 1.00 0.00 C ATOM 888 O ALA A 62 22.601 -0.123 -32.899 1.00 0.00 O ATOM 889 CB ALA A 62 24.698 -1.580 -34.559 1.00 0.00 C ATOM 0 H ALA A 62 25.191 -3.564 -33.160 1.00 0.00 H new ATOM 0 HA ALA A 62 25.161 -0.780 -32.610 1.00 0.00 H new ATOM 0 HB1 ALA A 62 24.425 -0.611 -34.977 1.00 0.00 H new ATOM 0 HB2 ALA A 62 25.738 -1.799 -34.799 1.00 0.00 H new ATOM 0 HB3 ALA A 62 24.057 -2.352 -34.985 1.00 0.00 H new ATOM 895 N GLY A 63 22.317 -2.188 -32.205 1.00 0.00 N ATOM 896 CA GLY A 63 20.891 -1.922 -31.863 1.00 0.00 C ATOM 897 C GLY A 63 20.656 -2.274 -30.398 1.00 0.00 C ATOM 898 O GLY A 63 19.581 -2.087 -29.865 1.00 0.00 O ATOM 0 H GLY A 63 22.639 -3.138 -32.020 1.00 0.00 H new ATOM 0 HA2 GLY A 63 20.651 -0.874 -32.041 1.00 0.00 H new ATOM 0 HA3 GLY A 63 20.234 -2.513 -32.502 1.00 0.00 H new ATOM 902 N ARG A 64 21.653 -2.802 -29.754 1.00 0.00 N ATOM 903 CA ARG A 64 21.517 -3.195 -28.342 1.00 0.00 C ATOM 904 C ARG A 64 22.283 -2.195 -27.502 1.00 0.00 C ATOM 905 O ARG A 64 21.735 -1.485 -26.680 1.00 0.00 O ATOM 906 CB ARG A 64 22.154 -4.564 -28.175 1.00 0.00 C ATOM 907 CG ARG A 64 21.470 -5.325 -27.052 1.00 0.00 C ATOM 908 CD ARG A 64 22.083 -6.716 -26.986 1.00 0.00 C ATOM 909 NE ARG A 64 21.051 -7.697 -26.545 1.00 0.00 N ATOM 910 CZ ARG A 64 21.270 -8.444 -25.499 1.00 0.00 C ATOM 911 NH1 ARG A 64 22.467 -8.911 -25.270 1.00 0.00 N ATOM 912 NH2 ARG A 64 20.294 -8.722 -24.679 1.00 0.00 N ATOM 0 H ARG A 64 22.572 -2.979 -30.160 1.00 0.00 H new ATOM 0 HA ARG A 64 20.470 -3.222 -28.039 1.00 0.00 H new ATOM 0 HB2 ARG A 64 22.076 -5.126 -29.106 1.00 0.00 H new ATOM 0 HB3 ARG A 64 23.216 -4.455 -27.957 1.00 0.00 H new ATOM 0 HG2 ARG A 64 21.602 -4.805 -26.103 1.00 0.00 H new ATOM 0 HG3 ARG A 64 20.397 -5.389 -27.233 1.00 0.00 H new ATOM 0 HD2 ARG A 64 22.474 -6.999 -27.963 1.00 0.00 H new ATOM 0 HD3 ARG A 64 22.924 -6.721 -26.293 1.00 0.00 H new ATOM 0 HE ARG A 64 20.175 -7.784 -27.061 1.00 0.00 H new ATOM 0 HH11 ARG A 64 23.231 -8.692 -25.909 1.00 0.00 H new ATOM 0 HH12 ARG A 64 22.639 -9.495 -24.452 1.00 0.00 H new ATOM 0 HH21 ARG A 64 19.359 -8.355 -24.856 1.00 0.00 H new ATOM 0 HH22 ARG A 64 20.466 -9.306 -23.861 1.00 0.00 H new ATOM 926 N LEU A 65 23.562 -2.128 -27.730 1.00 0.00 N ATOM 927 CA LEU A 65 24.401 -1.170 -26.988 1.00 0.00 C ATOM 928 C LEU A 65 23.955 0.236 -27.368 1.00 0.00 C ATOM 929 O LEU A 65 24.213 0.699 -28.461 1.00 0.00 O ATOM 930 CB LEU A 65 25.867 -1.376 -27.380 1.00 0.00 C ATOM 931 CG LEU A 65 26.491 -2.524 -26.568 1.00 0.00 C ATOM 932 CD1 LEU A 65 27.090 -1.963 -25.278 1.00 0.00 C ATOM 933 CD2 LEU A 65 25.435 -3.584 -26.223 1.00 0.00 C ATOM 0 H LEU A 65 24.061 -2.705 -28.407 1.00 0.00 H new ATOM 0 HA LEU A 65 24.300 -1.318 -25.913 1.00 0.00 H new ATOM 0 HB2 LEU A 65 25.936 -1.598 -28.445 1.00 0.00 H new ATOM 0 HB3 LEU A 65 26.427 -0.457 -27.209 1.00 0.00 H new ATOM 0 HG LEU A 65 27.270 -2.994 -27.168 1.00 0.00 H new ATOM 0 HD11 LEU A 65 27.533 -2.774 -24.700 1.00 0.00 H new ATOM 0 HD12 LEU A 65 27.858 -1.230 -25.523 1.00 0.00 H new ATOM 0 HD13 LEU A 65 26.306 -1.485 -24.691 1.00 0.00 H new ATOM 0 HD21 LEU A 65 25.899 -4.386 -25.649 1.00 0.00 H new ATOM 0 HD22 LEU A 65 24.641 -3.127 -25.633 1.00 0.00 H new ATOM 0 HD23 LEU A 65 25.015 -3.992 -27.142 1.00 0.00 H new ATOM 945 N THR A 66 23.264 0.898 -26.481 1.00 0.00 N ATOM 946 CA THR A 66 22.772 2.275 -26.772 1.00 0.00 C ATOM 947 C THR A 66 23.845 3.051 -27.543 1.00 0.00 C ATOM 948 O THR A 66 24.980 2.634 -27.635 1.00 0.00 O ATOM 949 CB THR A 66 22.438 3.000 -25.453 1.00 0.00 C ATOM 950 OG1 THR A 66 21.460 2.254 -24.745 1.00 0.00 O ATOM 951 CG2 THR A 66 21.888 4.386 -25.771 1.00 0.00 C ATOM 0 H THR A 66 23.017 0.540 -25.558 1.00 0.00 H new ATOM 0 HA THR A 66 21.869 2.216 -27.380 1.00 0.00 H new ATOM 0 HB THR A 66 23.337 3.094 -24.843 1.00 0.00 H new ATOM 0 HG1 THR A 66 21.888 1.771 -24.007 1.00 0.00 H new ATOM 0 HG21 THR A 66 21.650 4.905 -24.842 1.00 0.00 H new ATOM 0 HG22 THR A 66 22.635 4.956 -26.323 1.00 0.00 H new ATOM 0 HG23 THR A 66 20.986 4.290 -26.375 1.00 0.00 H new ATOM 959 N ASP A 67 23.494 4.172 -28.108 1.00 0.00 N ATOM 960 CA ASP A 67 24.497 4.957 -28.876 1.00 0.00 C ATOM 961 C ASP A 67 25.662 5.287 -27.950 1.00 0.00 C ATOM 962 O ASP A 67 26.806 4.911 -28.190 1.00 0.00 O ATOM 963 CB ASP A 67 23.861 6.252 -29.377 1.00 0.00 C ATOM 964 CG ASP A 67 24.617 6.748 -30.612 1.00 0.00 C ATOM 965 OD1 ASP A 67 25.717 6.271 -30.839 1.00 0.00 O ATOM 966 OD2 ASP A 67 24.083 7.595 -31.308 1.00 0.00 O ATOM 0 H ASP A 67 22.559 4.577 -28.071 1.00 0.00 H new ATOM 0 HA ASP A 67 24.848 4.380 -29.732 1.00 0.00 H new ATOM 0 HB2 ASP A 67 22.813 6.083 -29.623 1.00 0.00 H new ATOM 0 HB3 ASP A 67 23.887 7.009 -28.593 1.00 0.00 H new ATOM 971 N GLU A 68 25.370 5.949 -26.863 1.00 0.00 N ATOM 972 CA GLU A 68 26.429 6.290 -25.878 1.00 0.00 C ATOM 973 C GLU A 68 26.980 5.010 -25.241 1.00 0.00 C ATOM 974 O GLU A 68 27.712 5.063 -24.301 1.00 0.00 O ATOM 975 CB GLU A 68 25.837 7.182 -24.785 1.00 0.00 C ATOM 976 CG GLU A 68 25.002 8.293 -25.425 1.00 0.00 C ATOM 977 CD GLU A 68 25.610 9.654 -25.082 1.00 0.00 C ATOM 978 OE1 GLU A 68 26.770 9.685 -24.707 1.00 0.00 O ATOM 979 OE2 GLU A 68 24.906 10.643 -25.201 1.00 0.00 O ATOM 0 H GLU A 68 24.434 6.270 -26.616 1.00 0.00 H new ATOM 0 HA GLU A 68 27.236 6.816 -26.388 1.00 0.00 H new ATOM 0 HB2 GLU A 68 25.217 6.588 -24.113 1.00 0.00 H new ATOM 0 HB3 GLU A 68 26.636 7.615 -24.183 1.00 0.00 H new ATOM 0 HG2 GLU A 68 24.969 8.160 -26.506 1.00 0.00 H new ATOM 0 HG3 GLU A 68 23.974 8.242 -25.066 1.00 0.00 H new ATOM 986 N GLN A 69 26.643 3.871 -25.764 1.00 0.00 N ATOM 987 CA GLN A 69 27.153 2.583 -25.224 1.00 0.00 C ATOM 988 C GLN A 69 28.213 2.092 -26.172 1.00 0.00 C ATOM 989 O GLN A 69 29.297 1.721 -25.781 1.00 0.00 O ATOM 990 CB GLN A 69 26.040 1.570 -25.188 1.00 0.00 C ATOM 991 CG GLN A 69 25.734 1.229 -23.749 1.00 0.00 C ATOM 992 CD GLN A 69 24.623 2.158 -23.270 1.00 0.00 C ATOM 993 OE1 GLN A 69 23.470 1.777 -23.224 1.00 0.00 O ATOM 994 NE2 GLN A 69 24.919 3.386 -22.934 1.00 0.00 N ATOM 0 H GLN A 69 26.019 3.775 -26.565 1.00 0.00 H new ATOM 0 HA GLN A 69 27.546 2.721 -24.217 1.00 0.00 H new ATOM 0 HB2 GLN A 69 25.152 1.969 -25.678 1.00 0.00 H new ATOM 0 HB3 GLN A 69 26.330 0.672 -25.735 1.00 0.00 H new ATOM 0 HG2 GLN A 69 25.424 0.188 -23.662 1.00 0.00 H new ATOM 0 HG3 GLN A 69 26.624 1.349 -23.131 1.00 0.00 H new ATOM 0 HE21 GLN A 69 25.887 3.706 -22.972 1.00 0.00 H new ATOM 0 HE22 GLN A 69 24.182 4.024 -22.633 1.00 0.00 H new ATOM 1003 N ILE A 70 27.946 2.161 -27.448 1.00 0.00 N ATOM 1004 CA ILE A 70 28.996 1.764 -28.404 1.00 0.00 C ATOM 1005 C ILE A 70 30.219 2.579 -28.013 1.00 0.00 C ATOM 1006 O ILE A 70 31.350 2.221 -28.272 1.00 0.00 O ATOM 1007 CB ILE A 70 28.563 2.099 -29.829 1.00 0.00 C ATOM 1008 CG1 ILE A 70 27.122 1.631 -30.054 1.00 0.00 C ATOM 1009 CG2 ILE A 70 29.485 1.386 -30.813 1.00 0.00 C ATOM 1010 CD1 ILE A 70 26.996 0.159 -29.655 1.00 0.00 C ATOM 0 H ILE A 70 27.063 2.469 -27.855 1.00 0.00 H new ATOM 0 HA ILE A 70 29.196 0.693 -28.375 1.00 0.00 H new ATOM 0 HB ILE A 70 28.620 3.177 -29.983 1.00 0.00 H new ATOM 0 HG12 ILE A 70 26.435 2.239 -29.465 1.00 0.00 H new ATOM 0 HG13 ILE A 70 26.845 1.760 -31.100 1.00 0.00 H new ATOM 0 HG21 ILE A 70 29.181 1.621 -31.833 1.00 0.00 H new ATOM 0 HG22 ILE A 70 30.511 1.717 -30.655 1.00 0.00 H new ATOM 0 HG23 ILE A 70 29.423 0.309 -30.655 1.00 0.00 H new ATOM 0 HD11 ILE A 70 25.971 -0.175 -29.815 1.00 0.00 H new ATOM 0 HD12 ILE A 70 27.672 -0.442 -30.263 1.00 0.00 H new ATOM 0 HD13 ILE A 70 27.255 0.044 -28.603 1.00 0.00 H new ATOM 1022 N GLN A 71 29.968 3.670 -27.331 1.00 0.00 N ATOM 1023 CA GLN A 71 31.040 4.528 -26.837 1.00 0.00 C ATOM 1024 C GLN A 71 31.340 4.107 -25.409 1.00 0.00 C ATOM 1025 O GLN A 71 32.334 3.486 -25.112 1.00 0.00 O ATOM 1026 CB GLN A 71 30.518 5.956 -26.825 1.00 0.00 C ATOM 1027 CG GLN A 71 30.581 6.535 -28.241 1.00 0.00 C ATOM 1028 CD GLN A 71 29.779 5.648 -29.194 1.00 0.00 C ATOM 1029 OE1 GLN A 71 30.238 4.599 -29.595 1.00 0.00 O ATOM 1030 NE2 GLN A 71 28.593 6.029 -29.581 1.00 0.00 N ATOM 0 H GLN A 71 29.029 3.994 -27.100 1.00 0.00 H new ATOM 0 HA GLN A 71 31.934 4.453 -27.456 1.00 0.00 H new ATOM 0 HB2 GLN A 71 29.492 5.976 -26.458 1.00 0.00 H new ATOM 0 HB3 GLN A 71 31.112 6.566 -26.145 1.00 0.00 H new ATOM 0 HG2 GLN A 71 30.181 7.549 -28.248 1.00 0.00 H new ATOM 0 HG3 GLN A 71 31.617 6.599 -28.573 1.00 0.00 H new ATOM 0 HE21 GLN A 71 28.206 6.911 -29.245 1.00 0.00 H new ATOM 0 HE22 GLN A 71 28.053 5.445 -30.220 1.00 0.00 H new ATOM 1039 N ASP A 72 30.454 4.449 -24.530 1.00 0.00 N ATOM 1040 CA ASP A 72 30.602 4.099 -23.110 1.00 0.00 C ATOM 1041 C ASP A 72 31.039 2.649 -22.967 1.00 0.00 C ATOM 1042 O ASP A 72 32.092 2.390 -22.487 1.00 0.00 O ATOM 1043 CB ASP A 72 29.258 4.290 -22.418 1.00 0.00 C ATOM 1044 CG ASP A 72 28.944 5.787 -22.351 1.00 0.00 C ATOM 1045 OD1 ASP A 72 29.862 6.576 -22.516 1.00 0.00 O ATOM 1046 OD2 ASP A 72 27.790 6.121 -22.147 1.00 0.00 O ATOM 0 H ASP A 72 29.607 4.974 -24.749 1.00 0.00 H new ATOM 0 HA ASP A 72 31.358 4.740 -22.656 1.00 0.00 H new ATOM 0 HB2 ASP A 72 28.475 3.764 -22.964 1.00 0.00 H new ATOM 0 HB3 ASP A 72 29.287 3.865 -21.414 1.00 0.00 H new ATOM 1051 N VAL A 73 30.229 1.706 -23.364 1.00 0.00 N ATOM 1052 CA VAL A 73 30.608 0.267 -23.218 1.00 0.00 C ATOM 1053 C VAL A 73 32.024 0.031 -23.767 1.00 0.00 C ATOM 1054 O VAL A 73 32.741 -0.837 -23.304 1.00 0.00 O ATOM 1055 CB VAL A 73 29.582 -0.591 -23.976 1.00 0.00 C ATOM 1056 CG1 VAL A 73 30.213 -1.895 -24.472 1.00 0.00 C ATOM 1057 CG2 VAL A 73 28.416 -0.904 -23.045 1.00 0.00 C ATOM 0 H VAL A 73 29.315 1.869 -23.786 1.00 0.00 H new ATOM 0 HA VAL A 73 30.607 -0.012 -22.164 1.00 0.00 H new ATOM 0 HB VAL A 73 29.231 -0.035 -24.845 1.00 0.00 H new ATOM 0 HG11 VAL A 73 29.465 -2.482 -25.004 1.00 0.00 H new ATOM 0 HG12 VAL A 73 31.040 -1.666 -25.144 1.00 0.00 H new ATOM 0 HG13 VAL A 73 30.584 -2.466 -23.621 1.00 0.00 H new ATOM 0 HG21 VAL A 73 27.682 -1.513 -23.573 1.00 0.00 H new ATOM 0 HG22 VAL A 73 28.781 -1.450 -22.175 1.00 0.00 H new ATOM 0 HG23 VAL A 73 27.950 0.026 -22.720 1.00 0.00 H new ATOM 1067 N ALA A 74 32.442 0.790 -24.731 1.00 0.00 N ATOM 1068 CA ALA A 74 33.824 0.597 -25.266 1.00 0.00 C ATOM 1069 C ALA A 74 34.802 1.285 -24.315 1.00 0.00 C ATOM 1070 O ALA A 74 35.459 0.650 -23.535 1.00 0.00 O ATOM 1071 CB ALA A 74 33.936 1.201 -26.665 1.00 0.00 C ATOM 0 H ALA A 74 31.898 1.531 -25.173 1.00 0.00 H new ATOM 0 HA ALA A 74 34.054 -0.466 -25.337 1.00 0.00 H new ATOM 0 HB1 ALA A 74 34.947 1.054 -27.045 1.00 0.00 H new ATOM 0 HB2 ALA A 74 33.224 0.712 -27.330 1.00 0.00 H new ATOM 0 HB3 ALA A 74 33.717 2.268 -26.619 1.00 0.00 H new ATOM 1077 N ALA A 75 34.874 2.584 -24.319 1.00 0.00 N ATOM 1078 CA ALA A 75 35.779 3.262 -23.347 1.00 0.00 C ATOM 1079 C ALA A 75 35.546 2.625 -21.964 1.00 0.00 C ATOM 1080 O ALA A 75 36.393 2.638 -21.094 1.00 0.00 O ATOM 1081 CB ALA A 75 35.424 4.750 -23.292 1.00 0.00 C ATOM 0 H ALA A 75 34.354 3.201 -24.943 1.00 0.00 H new ATOM 0 HA ALA A 75 36.822 3.153 -23.644 1.00 0.00 H new ATOM 0 HB1 ALA A 75 36.081 5.255 -22.583 1.00 0.00 H new ATOM 0 HB2 ALA A 75 35.550 5.191 -24.281 1.00 0.00 H new ATOM 0 HB3 ALA A 75 34.388 4.865 -22.972 1.00 0.00 H new ATOM 1087 N TYR A 76 34.385 2.048 -21.796 1.00 0.00 N ATOM 1088 CA TYR A 76 34.003 1.375 -20.522 1.00 0.00 C ATOM 1089 C TYR A 76 34.975 0.244 -20.242 1.00 0.00 C ATOM 1090 O TYR A 76 35.544 0.158 -19.186 1.00 0.00 O ATOM 1091 CB TYR A 76 32.592 0.787 -20.677 1.00 0.00 C ATOM 1092 CG TYR A 76 32.313 -0.167 -19.563 1.00 0.00 C ATOM 1093 CD1 TYR A 76 31.837 0.315 -18.381 1.00 0.00 C ATOM 1094 CD2 TYR A 76 32.561 -1.516 -19.711 1.00 0.00 C ATOM 1095 CE1 TYR A 76 31.595 -0.531 -17.318 1.00 0.00 C ATOM 1096 CE2 TYR A 76 32.310 -2.386 -18.644 1.00 0.00 C ATOM 1097 CZ TYR A 76 31.827 -1.889 -17.443 1.00 0.00 C ATOM 1098 OH TYR A 76 31.587 -2.740 -16.383 1.00 0.00 O ATOM 0 H TYR A 76 33.663 2.016 -22.515 1.00 0.00 H new ATOM 0 HA TYR A 76 34.026 2.094 -19.703 1.00 0.00 H new ATOM 0 HB2 TYR A 76 31.853 1.588 -20.675 1.00 0.00 H new ATOM 0 HB3 TYR A 76 32.505 0.275 -21.636 1.00 0.00 H new ATOM 0 HD1 TYR A 76 31.647 1.373 -18.275 1.00 0.00 H new ATOM 0 HD2 TYR A 76 32.946 -1.898 -20.645 1.00 0.00 H new ATOM 0 HE1 TYR A 76 31.223 -0.132 -16.386 1.00 0.00 H new ATOM 0 HE2 TYR A 76 32.492 -3.445 -18.756 1.00 0.00 H new ATOM 0 HH TYR A 76 31.338 -3.624 -16.724 1.00 0.00 H new ATOM 1108 N VAL A 77 35.151 -0.624 -21.188 1.00 0.00 N ATOM 1109 CA VAL A 77 36.087 -1.762 -21.005 1.00 0.00 C ATOM 1110 C VAL A 77 37.499 -1.203 -20.854 1.00 0.00 C ATOM 1111 O VAL A 77 38.360 -1.807 -20.246 1.00 0.00 O ATOM 1112 CB VAL A 77 36.008 -2.645 -22.246 1.00 0.00 C ATOM 1113 CG1 VAL A 77 36.037 -1.752 -23.457 1.00 0.00 C ATOM 1114 CG2 VAL A 77 37.192 -3.611 -22.307 1.00 0.00 C ATOM 0 H VAL A 77 34.681 -0.595 -22.093 1.00 0.00 H new ATOM 0 HA VAL A 77 35.831 -2.346 -20.121 1.00 0.00 H new ATOM 0 HB VAL A 77 35.090 -3.232 -22.212 1.00 0.00 H new ATOM 0 HG11 VAL A 77 35.982 -2.361 -24.359 1.00 0.00 H new ATOM 0 HG12 VAL A 77 35.187 -1.070 -23.427 1.00 0.00 H new ATOM 0 HG13 VAL A 77 36.963 -1.177 -23.463 1.00 0.00 H new ATOM 0 HG21 VAL A 77 37.112 -4.229 -23.201 1.00 0.00 H new ATOM 0 HG22 VAL A 77 38.123 -3.044 -22.340 1.00 0.00 H new ATOM 0 HG23 VAL A 77 37.187 -4.249 -21.423 1.00 0.00 H new ATOM 1124 N LEU A 78 37.737 -0.040 -21.397 1.00 0.00 N ATOM 1125 CA LEU A 78 39.090 0.572 -21.275 1.00 0.00 C ATOM 1126 C LEU A 78 39.223 1.188 -19.877 1.00 0.00 C ATOM 1127 O LEU A 78 40.286 1.609 -19.462 1.00 0.00 O ATOM 1128 CB LEU A 78 39.270 1.669 -22.336 1.00 0.00 C ATOM 1129 CG LEU A 78 38.574 1.281 -23.652 1.00 0.00 C ATOM 1130 CD1 LEU A 78 39.080 2.191 -24.773 1.00 0.00 C ATOM 1131 CD2 LEU A 78 38.885 -0.176 -24.011 1.00 0.00 C ATOM 0 H LEU A 78 37.055 0.511 -21.918 1.00 0.00 H new ATOM 0 HA LEU A 78 39.853 -0.192 -21.426 1.00 0.00 H new ATOM 0 HB2 LEU A 78 38.859 2.609 -21.966 1.00 0.00 H new ATOM 0 HB3 LEU A 78 40.332 1.834 -22.517 1.00 0.00 H new ATOM 0 HG LEU A 78 37.497 1.394 -23.530 1.00 0.00 H new ATOM 0 HD11 LEU A 78 38.591 1.922 -25.709 1.00 0.00 H new ATOM 0 HD12 LEU A 78 38.852 3.229 -24.530 1.00 0.00 H new ATOM 0 HD13 LEU A 78 40.158 2.072 -24.880 1.00 0.00 H new ATOM 0 HD21 LEU A 78 38.385 -0.435 -24.944 1.00 0.00 H new ATOM 0 HD22 LEU A 78 39.961 -0.300 -24.129 1.00 0.00 H new ATOM 0 HD23 LEU A 78 38.530 -0.831 -23.215 1.00 0.00 H new ATOM 1143 N ASP A 79 38.135 1.250 -19.158 1.00 0.00 N ATOM 1144 CA ASP A 79 38.133 1.831 -17.805 1.00 0.00 C ATOM 1145 C ASP A 79 38.188 0.704 -16.779 1.00 0.00 C ATOM 1146 O ASP A 79 38.872 0.778 -15.777 1.00 0.00 O ATOM 1147 CB ASP A 79 36.821 2.584 -17.631 1.00 0.00 C ATOM 1148 CG ASP A 79 37.044 3.829 -16.769 1.00 0.00 C ATOM 1149 OD1 ASP A 79 38.047 4.493 -16.972 1.00 0.00 O ATOM 1150 OD2 ASP A 79 36.210 4.095 -15.920 1.00 0.00 O ATOM 0 H ASP A 79 37.226 0.909 -19.471 1.00 0.00 H new ATOM 0 HA ASP A 79 38.988 2.494 -17.668 1.00 0.00 H new ATOM 0 HB2 ASP A 79 36.425 2.872 -18.605 1.00 0.00 H new ATOM 0 HB3 ASP A 79 36.079 1.936 -17.164 1.00 0.00 H new ATOM 1155 N GLN A 80 37.446 -0.335 -17.033 1.00 0.00 N ATOM 1156 CA GLN A 80 37.399 -1.489 -16.107 1.00 0.00 C ATOM 1157 C GLN A 80 38.731 -2.234 -16.135 1.00 0.00 C ATOM 1158 O GLN A 80 39.290 -2.569 -15.110 1.00 0.00 O ATOM 1159 CB GLN A 80 36.299 -2.453 -16.561 1.00 0.00 C ATOM 1160 CG GLN A 80 35.034 -1.707 -17.003 1.00 0.00 C ATOM 1161 CD GLN A 80 34.858 -0.407 -16.226 1.00 0.00 C ATOM 1162 OE1 GLN A 80 35.209 -0.319 -15.066 1.00 0.00 O ATOM 1163 NE2 GLN A 80 34.321 0.613 -16.829 1.00 0.00 N ATOM 0 H GLN A 80 36.859 -0.431 -17.862 1.00 0.00 H new ATOM 0 HA GLN A 80 37.199 -1.127 -15.099 1.00 0.00 H new ATOM 0 HB2 GLN A 80 36.668 -3.063 -17.386 1.00 0.00 H new ATOM 0 HB3 GLN A 80 36.053 -3.134 -15.746 1.00 0.00 H new ATOM 0 HG2 GLN A 80 35.091 -1.491 -18.070 1.00 0.00 H new ATOM 0 HG3 GLN A 80 34.162 -2.344 -16.853 1.00 0.00 H new ATOM 0 HE21 GLN A 80 34.028 0.534 -17.803 1.00 0.00 H new ATOM 0 HE22 GLN A 80 34.193 1.492 -16.328 1.00 0.00 H new ATOM 1172 N ALA A 81 39.234 -2.509 -17.304 1.00 0.00 N ATOM 1173 CA ALA A 81 40.522 -3.250 -17.400 1.00 0.00 C ATOM 1174 C ALA A 81 41.656 -2.365 -16.892 1.00 0.00 C ATOM 1175 O ALA A 81 42.745 -2.827 -16.619 1.00 0.00 O ATOM 1176 CB ALA A 81 40.786 -3.622 -18.857 1.00 0.00 C ATOM 0 H ALA A 81 38.811 -2.254 -18.196 1.00 0.00 H new ATOM 0 HA ALA A 81 40.466 -4.155 -16.796 1.00 0.00 H new ATOM 0 HB1 ALA A 81 41.729 -4.165 -18.929 1.00 0.00 H new ATOM 0 HB2 ALA A 81 39.976 -4.252 -19.224 1.00 0.00 H new ATOM 0 HB3 ALA A 81 40.842 -2.715 -19.460 1.00 0.00 H new ATOM 1182 N ALA A 82 41.412 -1.093 -16.783 1.00 0.00 N ATOM 1183 CA ALA A 82 42.472 -0.176 -16.317 1.00 0.00 C ATOM 1184 C ALA A 82 42.462 -0.061 -14.791 1.00 0.00 C ATOM 1185 O ALA A 82 43.154 0.767 -14.232 1.00 0.00 O ATOM 1186 CB ALA A 82 42.252 1.209 -16.930 1.00 0.00 C ATOM 0 H ALA A 82 40.519 -0.651 -16.999 1.00 0.00 H new ATOM 0 HA ALA A 82 43.437 -0.575 -16.630 1.00 0.00 H new ATOM 0 HB1 ALA A 82 43.034 1.887 -16.587 1.00 0.00 H new ATOM 0 HB2 ALA A 82 42.287 1.135 -18.017 1.00 0.00 H new ATOM 0 HB3 ALA A 82 41.279 1.592 -16.623 1.00 0.00 H new ATOM 1192 N LYS A 83 41.697 -0.864 -14.094 1.00 0.00 N ATOM 1193 CA LYS A 83 41.705 -0.731 -12.608 1.00 0.00 C ATOM 1194 C LYS A 83 40.931 -1.852 -11.916 1.00 0.00 C ATOM 1195 O LYS A 83 40.235 -1.615 -10.949 1.00 0.00 O ATOM 1196 CB LYS A 83 41.084 0.607 -12.219 1.00 0.00 C ATOM 1197 CG LYS A 83 39.685 0.718 -12.829 1.00 0.00 C ATOM 1198 CD LYS A 83 39.420 2.171 -13.232 1.00 0.00 C ATOM 1199 CE LYS A 83 39.181 3.015 -11.977 1.00 0.00 C ATOM 1200 NZ LYS A 83 38.076 3.982 -12.231 1.00 0.00 N ATOM 0 H LYS A 83 41.085 -1.585 -14.476 1.00 0.00 H new ATOM 0 HA LYS A 83 42.743 -0.792 -12.282 1.00 0.00 H new ATOM 0 HB2 LYS A 83 41.027 0.691 -11.134 1.00 0.00 H new ATOM 0 HB3 LYS A 83 41.711 1.427 -12.570 1.00 0.00 H new ATOM 0 HG2 LYS A 83 39.603 0.067 -13.699 1.00 0.00 H new ATOM 0 HG3 LYS A 83 38.936 0.386 -12.111 1.00 0.00 H new ATOM 0 HD2 LYS A 83 40.269 2.565 -13.791 1.00 0.00 H new ATOM 0 HD3 LYS A 83 38.552 2.224 -13.890 1.00 0.00 H new ATOM 0 HE2 LYS A 83 38.928 2.370 -11.135 1.00 0.00 H new ATOM 0 HE3 LYS A 83 40.092 3.550 -11.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 37.914 4.555 -11.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 38.335 4.605 -13.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 37.207 3.462 -12.469 1.00 0.00 H new ATOM 1214 N GLY A 84 41.055 -3.068 -12.358 1.00 0.00 N ATOM 1215 CA GLY A 84 40.333 -4.160 -11.663 1.00 0.00 C ATOM 1216 C GLY A 84 38.959 -4.354 -12.285 1.00 0.00 C ATOM 1217 O GLY A 84 37.962 -3.936 -11.745 1.00 0.00 O ATOM 0 H GLY A 84 41.618 -3.350 -13.160 1.00 0.00 H new ATOM 0 HA2 GLY A 84 40.905 -5.085 -11.730 1.00 0.00 H new ATOM 0 HA3 GLY A 84 40.232 -3.923 -10.604 1.00 0.00 H new ATOM 1221 N TRP A 85 38.921 -4.989 -13.413 1.00 0.00 N ATOM 1222 CA TRP A 85 37.627 -5.259 -14.118 1.00 0.00 C ATOM 1223 C TRP A 85 36.537 -5.654 -13.113 1.00 0.00 C ATOM 1224 O TRP A 85 36.283 -6.821 -12.889 1.00 0.00 O ATOM 1225 CB TRP A 85 37.819 -6.428 -15.086 1.00 0.00 C ATOM 1226 CG TRP A 85 37.714 -5.956 -16.495 1.00 0.00 C ATOM 1227 CD1 TRP A 85 38.707 -6.010 -17.410 1.00 0.00 C ATOM 1228 CD2 TRP A 85 36.573 -5.364 -17.164 1.00 0.00 C ATOM 1229 NE1 TRP A 85 38.240 -5.486 -18.601 1.00 0.00 N ATOM 1230 CE2 TRP A 85 36.928 -5.075 -18.495 1.00 0.00 C ATOM 1231 CE3 TRP A 85 35.277 -5.052 -16.742 1.00 0.00 C ATOM 1232 CZ2 TRP A 85 36.025 -4.499 -19.382 1.00 0.00 C ATOM 1233 CZ3 TRP A 85 34.362 -4.461 -17.635 1.00 0.00 C ATOM 1234 CH2 TRP A 85 34.734 -4.185 -18.951 1.00 0.00 C ATOM 0 H TRP A 85 39.747 -5.345 -13.895 1.00 0.00 H new ATOM 0 HA TRP A 85 37.327 -4.355 -14.648 1.00 0.00 H new ATOM 0 HB2 TRP A 85 38.793 -6.889 -14.921 1.00 0.00 H new ATOM 0 HB3 TRP A 85 37.068 -7.194 -14.895 1.00 0.00 H new ATOM 0 HD1 TRP A 85 39.700 -6.398 -17.239 1.00 0.00 H new ATOM 0 HE1 TRP A 85 38.797 -5.413 -19.452 1.00 0.00 H new ATOM 0 HE3 TRP A 85 34.976 -5.265 -15.727 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 36.321 -4.295 -20.400 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 33.365 -4.220 -17.298 1.00 0.00 H new ATOM 0 HH2 TRP A 85 34.029 -3.732 -19.632 1.00 0.00 H new ATOM 1245 N ALA A 86 35.887 -4.702 -12.510 1.00 0.00 N ATOM 1246 CA ALA A 86 34.814 -5.035 -11.530 1.00 0.00 C ATOM 1247 C ALA A 86 35.378 -5.987 -10.479 1.00 0.00 C ATOM 1248 O ALA A 86 34.786 -6.998 -10.155 1.00 0.00 O ATOM 1249 CB ALA A 86 33.649 -5.710 -12.255 1.00 0.00 C ATOM 0 H ALA A 86 36.051 -3.705 -12.652 1.00 0.00 H new ATOM 0 HA ALA A 86 34.459 -4.123 -11.050 1.00 0.00 H new ATOM 0 HB1 ALA A 86 32.865 -5.953 -11.537 1.00 0.00 H new ATOM 0 HB2 ALA A 86 33.251 -5.034 -13.012 1.00 0.00 H new ATOM 0 HB3 ALA A 86 33.999 -6.625 -12.733 1.00 0.00 H new