USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=14 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 18 HIS : no HD1:sc= -15.6! C(o=-21!,f=-19!) USER MOD Set 1.2: A 23 ASN : amide:sc= -4.98! C(o=-21!,f=-20!) USER MOD Set 2.1: A 5 ASN : amide:sc= -4.5! C(o=-21!,f=-27!) USER MOD Set 2.2: A 8 LYS NZ :NH3+ -158:sc= -2.27! (180deg=0) USER MOD Set 2.3: A 69 GLN : amide:sc= -13.8! C(o=-21!,f=-20!) USER MOD Single : A 11 SER OG : rot -36:sc= 0.82 USER MOD Single : A 13 ASN : amide:sc= -7.31! C(o=-7.3!,f=-5.7!) USER MOD Single : A 14 CYS SG : rot -150:sc= -3.41! USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl -130:sc= -0.123 (180deg=-0.907) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -2.02 K(o=-2,f=-0.54) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 84:sc= 0.507 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -149:sc= -0.036 (180deg=-0.541) USER MOD Single : A 38 GLN : amide:sc= -4.35! C(o=-4.4!,f=-2.1!) USER MOD Single : A 41 MET CE :methyl -127:sc= -6.08! (180deg=-9.94!) USER MOD Single : A 42 TYR OH : rot 49:sc= -1.36! USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -12! C(o=-12!,f=-16!) USER MOD Single : A 52 GLN : amide:sc= -0.937 X(o=-0.94,f=-0.88) USER MOD Single : A 53 HIS : no HD1:sc= -13.4! C(o=-13!,f=-9!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -1.12 K(o=-1.1,f=0) USER MOD Single : A 58 MET CE :methyl -173:sc= -3.23! (180deg=-3.6!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -3.82! C(o=-3.8!,f=-4.2!) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= -8.29! C(o=-8.3!,f=-8.2!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 13 N ASP A 2 31.358 9.411 -18.194 1.00 0.00 N ATOM 14 CA ASP A 2 30.324 8.893 -19.138 1.00 0.00 C ATOM 15 C ASP A 2 30.388 7.365 -19.206 1.00 0.00 C ATOM 16 O ASP A 2 29.417 6.714 -19.535 1.00 0.00 O ATOM 17 CB ASP A 2 30.548 9.470 -20.541 1.00 0.00 C ATOM 18 CG ASP A 2 31.968 10.033 -20.662 1.00 0.00 C ATOM 19 OD1 ASP A 2 32.304 10.913 -19.887 1.00 0.00 O ATOM 20 OD2 ASP A 2 32.694 9.573 -21.528 1.00 0.00 O ATOM 0 HA ASP A 2 29.343 9.199 -18.774 1.00 0.00 H new ATOM 0 HB2 ASP A 2 30.392 8.694 -21.290 1.00 0.00 H new ATOM 0 HB3 ASP A 2 29.819 10.256 -20.739 1.00 0.00 H new ATOM 25 N LEU A 3 31.516 6.780 -18.900 1.00 0.00 N ATOM 26 CA LEU A 3 31.613 5.295 -18.954 1.00 0.00 C ATOM 27 C LEU A 3 30.728 4.692 -17.866 1.00 0.00 C ATOM 28 O LEU A 3 30.514 3.498 -17.823 1.00 0.00 O ATOM 29 CB LEU A 3 33.064 4.855 -18.724 1.00 0.00 C ATOM 30 CG LEU A 3 33.994 5.606 -19.677 1.00 0.00 C ATOM 31 CD1 LEU A 3 34.813 6.629 -18.888 1.00 0.00 C ATOM 32 CD2 LEU A 3 34.941 4.610 -20.352 1.00 0.00 C ATOM 0 H LEU A 3 32.368 7.264 -18.617 1.00 0.00 H new ATOM 0 HA LEU A 3 31.284 4.951 -19.935 1.00 0.00 H new ATOM 0 HB2 LEU A 3 33.353 5.050 -17.691 1.00 0.00 H new ATOM 0 HB3 LEU A 3 33.157 3.781 -18.883 1.00 0.00 H new ATOM 0 HG LEU A 3 33.402 6.119 -20.435 1.00 0.00 H new ATOM 0 HD11 LEU A 3 35.477 7.165 -19.567 1.00 0.00 H new ATOM 0 HD12 LEU A 3 34.141 7.337 -18.403 1.00 0.00 H new ATOM 0 HD13 LEU A 3 35.406 6.115 -18.132 1.00 0.00 H new ATOM 0 HD21 LEU A 3 35.605 5.143 -21.032 1.00 0.00 H new ATOM 0 HD22 LEU A 3 35.533 4.099 -19.593 1.00 0.00 H new ATOM 0 HD23 LEU A 3 34.360 3.878 -20.912 1.00 0.00 H new ATOM 44 N ALA A 4 30.182 5.505 -17.001 1.00 0.00 N ATOM 45 CA ALA A 4 29.291 4.953 -15.958 1.00 0.00 C ATOM 46 C ALA A 4 28.170 4.251 -16.699 1.00 0.00 C ATOM 47 O ALA A 4 27.634 3.246 -16.272 1.00 0.00 O ATOM 48 CB ALA A 4 28.725 6.083 -15.096 1.00 0.00 C ATOM 0 H ALA A 4 30.317 6.516 -16.977 1.00 0.00 H new ATOM 0 HA ALA A 4 29.824 4.271 -15.295 1.00 0.00 H new ATOM 0 HB1 ALA A 4 28.070 5.665 -14.332 1.00 0.00 H new ATOM 0 HB2 ALA A 4 29.544 6.621 -14.618 1.00 0.00 H new ATOM 0 HB3 ALA A 4 28.157 6.770 -15.724 1.00 0.00 H new ATOM 54 N ASN A 5 27.849 4.780 -17.843 1.00 0.00 N ATOM 55 CA ASN A 5 26.803 4.184 -18.698 1.00 0.00 C ATOM 56 C ASN A 5 27.326 2.851 -19.227 1.00 0.00 C ATOM 57 O ASN A 5 26.605 1.884 -19.352 1.00 0.00 O ATOM 58 CB ASN A 5 26.551 5.137 -19.859 1.00 0.00 C ATOM 59 CG ASN A 5 25.084 5.571 -19.864 1.00 0.00 C ATOM 60 OD1 ASN A 5 24.293 5.091 -19.077 1.00 0.00 O ATOM 61 ND2 ASN A 5 24.686 6.466 -20.725 1.00 0.00 N ATOM 0 H ASN A 5 28.281 5.621 -18.226 1.00 0.00 H new ATOM 0 HA ASN A 5 25.878 4.021 -18.145 1.00 0.00 H new ATOM 0 HB2 ASN A 5 27.198 6.010 -19.772 1.00 0.00 H new ATOM 0 HB3 ASN A 5 26.799 4.650 -20.802 1.00 0.00 H new ATOM 0 HD21 ASN A 5 23.710 6.763 -20.738 1.00 0.00 H new ATOM 0 HD22 ASN A 5 25.350 6.869 -21.386 1.00 0.00 H new ATOM 68 N GLY A 6 28.591 2.792 -19.527 1.00 0.00 N ATOM 69 CA GLY A 6 29.170 1.525 -20.032 1.00 0.00 C ATOM 70 C GLY A 6 28.827 0.403 -19.053 1.00 0.00 C ATOM 71 O GLY A 6 28.140 -0.526 -19.388 1.00 0.00 O ATOM 0 H GLY A 6 29.247 3.568 -19.443 1.00 0.00 H new ATOM 0 HA2 GLY A 6 28.774 1.297 -21.022 1.00 0.00 H new ATOM 0 HA3 GLY A 6 30.251 1.619 -20.135 1.00 0.00 H new ATOM 75 N ALA A 7 29.300 0.489 -17.843 1.00 0.00 N ATOM 76 CA ALA A 7 29.001 -0.576 -16.846 1.00 0.00 C ATOM 77 C ALA A 7 27.506 -0.879 -16.844 1.00 0.00 C ATOM 78 O ALA A 7 27.092 -1.980 -16.562 1.00 0.00 O ATOM 79 CB ALA A 7 29.416 -0.117 -15.448 1.00 0.00 C ATOM 0 H ALA A 7 29.882 1.253 -17.500 1.00 0.00 H new ATOM 0 HA ALA A 7 29.559 -1.473 -17.116 1.00 0.00 H new ATOM 0 HB1 ALA A 7 29.193 -0.903 -14.726 1.00 0.00 H new ATOM 0 HB2 ALA A 7 30.485 0.094 -15.437 1.00 0.00 H new ATOM 0 HB3 ALA A 7 28.866 0.786 -15.183 1.00 0.00 H new ATOM 85 N LYS A 8 26.692 0.088 -17.146 1.00 0.00 N ATOM 86 CA LYS A 8 25.228 -0.165 -17.154 1.00 0.00 C ATOM 87 C LYS A 8 24.920 -1.182 -18.256 1.00 0.00 C ATOM 88 O LYS A 8 24.178 -2.124 -18.062 1.00 0.00 O ATOM 89 CB LYS A 8 24.473 1.152 -17.406 1.00 0.00 C ATOM 90 CG LYS A 8 23.132 0.889 -18.116 1.00 0.00 C ATOM 91 CD LYS A 8 23.274 1.127 -19.628 1.00 0.00 C ATOM 92 CE LYS A 8 23.905 2.495 -19.878 1.00 0.00 C ATOM 93 NZ LYS A 8 23.005 3.306 -20.747 1.00 0.00 N ATOM 0 H LYS A 8 26.974 1.038 -17.387 1.00 0.00 H new ATOM 0 HA LYS A 8 24.906 -0.562 -16.191 1.00 0.00 H new ATOM 0 HB2 LYS A 8 24.294 1.660 -16.459 1.00 0.00 H new ATOM 0 HB3 LYS A 8 25.087 1.817 -18.014 1.00 0.00 H new ATOM 0 HG2 LYS A 8 22.809 -0.136 -17.931 1.00 0.00 H new ATOM 0 HG3 LYS A 8 22.362 1.544 -17.708 1.00 0.00 H new ATOM 0 HD2 LYS A 8 23.890 0.345 -20.072 1.00 0.00 H new ATOM 0 HD3 LYS A 8 22.297 1.074 -20.107 1.00 0.00 H new ATOM 0 HE2 LYS A 8 24.073 3.008 -18.931 1.00 0.00 H new ATOM 0 HE3 LYS A 8 24.878 2.377 -20.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 23.556 4.051 -21.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 22.569 2.692 -21.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 22.261 3.741 -20.166 1.00 0.00 H new ATOM 107 N VAL A 9 25.491 -0.993 -19.412 1.00 0.00 N ATOM 108 CA VAL A 9 25.243 -1.936 -20.536 1.00 0.00 C ATOM 109 C VAL A 9 26.030 -3.227 -20.306 1.00 0.00 C ATOM 110 O VAL A 9 25.480 -4.307 -20.305 1.00 0.00 O ATOM 111 CB VAL A 9 25.699 -1.272 -21.833 1.00 0.00 C ATOM 112 CG1 VAL A 9 25.771 -2.309 -22.960 1.00 0.00 C ATOM 113 CG2 VAL A 9 24.694 -0.187 -22.208 1.00 0.00 C ATOM 0 H VAL A 9 26.122 -0.221 -19.627 1.00 0.00 H new ATOM 0 HA VAL A 9 24.182 -2.179 -20.597 1.00 0.00 H new ATOM 0 HB VAL A 9 26.688 -0.837 -21.690 1.00 0.00 H new ATOM 0 HG11 VAL A 9 26.097 -1.824 -23.880 1.00 0.00 H new ATOM 0 HG12 VAL A 9 26.481 -3.091 -22.690 1.00 0.00 H new ATOM 0 HG13 VAL A 9 24.786 -2.750 -23.112 1.00 0.00 H new ATOM 0 HG21 VAL A 9 25.008 0.296 -23.133 1.00 0.00 H new ATOM 0 HG22 VAL A 9 23.710 -0.635 -22.348 1.00 0.00 H new ATOM 0 HG23 VAL A 9 24.645 0.555 -21.411 1.00 0.00 H new ATOM 123 N PHE A 10 27.315 -3.121 -20.126 1.00 0.00 N ATOM 124 CA PHE A 10 28.153 -4.328 -19.905 1.00 0.00 C ATOM 125 C PHE A 10 27.652 -5.111 -18.690 1.00 0.00 C ATOM 126 O PHE A 10 27.843 -6.306 -18.586 1.00 0.00 O ATOM 127 CB PHE A 10 29.602 -3.883 -19.682 1.00 0.00 C ATOM 128 CG PHE A 10 30.451 -5.092 -19.405 1.00 0.00 C ATOM 129 CD1 PHE A 10 30.312 -5.744 -18.186 1.00 0.00 C ATOM 130 CD2 PHE A 10 31.361 -5.575 -20.361 1.00 0.00 C ATOM 131 CE1 PHE A 10 31.068 -6.872 -17.909 1.00 0.00 C ATOM 132 CE2 PHE A 10 32.121 -6.714 -20.080 1.00 0.00 C ATOM 133 CZ PHE A 10 31.975 -7.363 -18.852 1.00 0.00 C ATOM 0 H PHE A 10 27.826 -2.238 -20.123 1.00 0.00 H new ATOM 0 HA PHE A 10 28.093 -4.979 -20.777 1.00 0.00 H new ATOM 0 HB2 PHE A 10 29.973 -3.356 -20.561 1.00 0.00 H new ATOM 0 HB3 PHE A 10 29.657 -3.186 -18.846 1.00 0.00 H new ATOM 0 HD1 PHE A 10 29.613 -5.371 -17.452 1.00 0.00 H new ATOM 0 HD2 PHE A 10 31.473 -5.068 -21.308 1.00 0.00 H new ATOM 0 HE1 PHE A 10 30.956 -7.374 -16.959 1.00 0.00 H new ATOM 0 HE2 PHE A 10 32.820 -7.092 -20.811 1.00 0.00 H new ATOM 0 HZ PHE A 10 32.562 -8.242 -18.632 1.00 0.00 H new ATOM 143 N SER A 11 27.017 -4.450 -17.776 1.00 0.00 N ATOM 144 CA SER A 11 26.503 -5.149 -16.562 1.00 0.00 C ATOM 145 C SER A 11 25.117 -5.733 -16.848 1.00 0.00 C ATOM 146 O SER A 11 24.363 -6.036 -15.944 1.00 0.00 O ATOM 147 CB SER A 11 26.404 -4.155 -15.403 1.00 0.00 C ATOM 148 OG SER A 11 26.029 -4.843 -14.219 1.00 0.00 O ATOM 0 H SER A 11 26.827 -3.448 -17.811 1.00 0.00 H new ATOM 0 HA SER A 11 27.187 -5.955 -16.296 1.00 0.00 H new ATOM 0 HB2 SER A 11 27.361 -3.654 -15.257 1.00 0.00 H new ATOM 0 HB3 SER A 11 25.671 -3.382 -15.635 1.00 0.00 H new ATOM 0 HG SER A 11 25.404 -5.563 -14.443 1.00 0.00 H new ATOM 154 N GLY A 12 24.774 -5.891 -18.095 1.00 0.00 N ATOM 155 CA GLY A 12 23.441 -6.451 -18.433 1.00 0.00 C ATOM 156 C GLY A 12 23.398 -6.962 -19.884 1.00 0.00 C ATOM 157 O GLY A 12 22.342 -7.275 -20.397 1.00 0.00 O ATOM 0 H GLY A 12 25.362 -5.656 -18.895 1.00 0.00 H new ATOM 0 HA2 GLY A 12 23.204 -7.268 -17.751 1.00 0.00 H new ATOM 0 HA3 GLY A 12 22.677 -5.686 -18.292 1.00 0.00 H new ATOM 161 N ASN A 13 24.519 -7.062 -20.550 1.00 0.00 N ATOM 162 CA ASN A 13 24.503 -7.564 -21.957 1.00 0.00 C ATOM 163 C ASN A 13 25.857 -8.190 -22.281 1.00 0.00 C ATOM 164 O ASN A 13 25.945 -9.320 -22.719 1.00 0.00 O ATOM 165 CB ASN A 13 24.241 -6.404 -22.919 1.00 0.00 C ATOM 166 CG ASN A 13 23.156 -5.494 -22.339 1.00 0.00 C ATOM 167 OD1 ASN A 13 22.011 -5.884 -22.236 1.00 0.00 O ATOM 168 ND2 ASN A 13 23.472 -4.288 -21.957 1.00 0.00 N ATOM 0 H ASN A 13 25.440 -6.820 -20.184 1.00 0.00 H new ATOM 0 HA ASN A 13 23.714 -8.308 -22.066 1.00 0.00 H new ATOM 0 HB2 ASN A 13 25.158 -5.837 -23.080 1.00 0.00 H new ATOM 0 HB3 ASN A 13 23.928 -6.787 -23.890 1.00 0.00 H new ATOM 0 HD21 ASN A 13 22.757 -3.671 -21.571 1.00 0.00 H new ATOM 0 HD22 ASN A 13 24.434 -3.961 -22.044 1.00 0.00 H new ATOM 175 N CYS A 14 26.913 -7.462 -22.062 1.00 0.00 N ATOM 176 CA CYS A 14 28.268 -8.006 -22.347 1.00 0.00 C ATOM 177 C CYS A 14 28.620 -9.040 -21.271 1.00 0.00 C ATOM 178 O CYS A 14 29.397 -9.947 -21.491 1.00 0.00 O ATOM 179 CB CYS A 14 29.284 -6.863 -22.315 1.00 0.00 C ATOM 180 SG CYS A 14 28.555 -5.360 -23.031 1.00 0.00 S ATOM 0 H CYS A 14 26.897 -6.510 -21.696 1.00 0.00 H new ATOM 0 HA CYS A 14 28.286 -8.477 -23.330 1.00 0.00 H new ATOM 0 HB2 CYS A 14 29.596 -6.672 -21.288 1.00 0.00 H new ATOM 0 HB3 CYS A 14 30.177 -7.144 -22.872 1.00 0.00 H new ATOM 0 HG CYS A 14 29.491 -4.642 -23.577 1.00 0.00 H new ATOM 185 N ALA A 15 28.043 -8.899 -20.108 1.00 0.00 N ATOM 186 CA ALA A 15 28.318 -9.858 -18.996 1.00 0.00 C ATOM 187 C ALA A 15 28.105 -11.298 -19.476 1.00 0.00 C ATOM 188 O ALA A 15 28.853 -12.194 -19.138 1.00 0.00 O ATOM 189 CB ALA A 15 27.360 -9.572 -17.839 1.00 0.00 C ATOM 0 H ALA A 15 27.386 -8.153 -19.878 1.00 0.00 H new ATOM 0 HA ALA A 15 29.351 -9.738 -18.669 1.00 0.00 H new ATOM 0 HB1 ALA A 15 27.556 -10.269 -17.024 1.00 0.00 H new ATOM 0 HB2 ALA A 15 27.509 -8.551 -17.487 1.00 0.00 H new ATOM 0 HB3 ALA A 15 26.332 -9.692 -18.180 1.00 0.00 H new ATOM 195 N ALA A 16 27.077 -11.528 -20.245 1.00 0.00 N ATOM 196 CA ALA A 16 26.792 -12.908 -20.733 1.00 0.00 C ATOM 197 C ALA A 16 27.984 -13.468 -21.516 1.00 0.00 C ATOM 198 O ALA A 16 28.239 -14.657 -21.499 1.00 0.00 O ATOM 199 CB ALA A 16 25.563 -12.877 -21.643 1.00 0.00 C ATOM 0 H ALA A 16 26.418 -10.816 -20.559 1.00 0.00 H new ATOM 0 HA ALA A 16 26.609 -13.550 -19.871 1.00 0.00 H new ATOM 0 HB1 ALA A 16 25.351 -13.884 -22.002 1.00 0.00 H new ATOM 0 HB2 ALA A 16 24.705 -12.503 -21.084 1.00 0.00 H new ATOM 0 HB3 ALA A 16 25.756 -12.222 -22.493 1.00 0.00 H new ATOM 205 N CYS A 17 28.708 -12.637 -22.214 1.00 0.00 N ATOM 206 CA CYS A 17 29.865 -13.152 -23.004 1.00 0.00 C ATOM 207 C CYS A 17 31.158 -12.476 -22.566 1.00 0.00 C ATOM 208 O CYS A 17 32.140 -12.477 -23.282 1.00 0.00 O ATOM 209 CB CYS A 17 29.635 -12.861 -24.473 1.00 0.00 C ATOM 210 SG CYS A 17 28.107 -13.670 -25.015 1.00 0.00 S ATOM 0 H CYS A 17 28.551 -11.631 -22.273 1.00 0.00 H new ATOM 0 HA CYS A 17 29.951 -14.226 -22.837 1.00 0.00 H new ATOM 0 HB2 CYS A 17 29.567 -11.785 -24.636 1.00 0.00 H new ATOM 0 HB3 CYS A 17 30.479 -13.220 -25.063 1.00 0.00 H new ATOM 0 HG CYS A 17 27.907 -13.420 -26.275 1.00 0.00 H new ATOM 215 N HIS A 18 31.174 -11.897 -21.406 1.00 0.00 N ATOM 216 CA HIS A 18 32.413 -11.219 -20.944 1.00 0.00 C ATOM 217 C HIS A 18 32.381 -11.094 -19.425 1.00 0.00 C ATOM 218 O HIS A 18 33.160 -11.704 -18.724 1.00 0.00 O ATOM 219 CB HIS A 18 32.482 -9.832 -21.582 1.00 0.00 C ATOM 220 CG HIS A 18 32.673 -9.979 -23.051 1.00 0.00 C ATOM 221 ND1 HIS A 18 33.930 -10.101 -23.592 1.00 0.00 N ATOM 222 CD2 HIS A 18 31.797 -10.032 -24.103 1.00 0.00 C ATOM 223 CE1 HIS A 18 33.792 -10.224 -24.915 1.00 0.00 C ATOM 224 NE2 HIS A 18 32.509 -10.191 -25.286 1.00 0.00 N ATOM 0 H HIS A 18 30.387 -11.862 -20.758 1.00 0.00 H new ATOM 0 HA HIS A 18 33.290 -11.797 -21.234 1.00 0.00 H new ATOM 0 HB2 HIS A 18 31.566 -9.278 -21.376 1.00 0.00 H new ATOM 0 HB3 HIS A 18 33.304 -9.261 -21.151 1.00 0.00 H new ATOM 0 HD2 HIS A 18 30.722 -9.961 -24.025 1.00 0.00 H new ATOM 0 HE1 HIS A 18 34.618 -10.337 -25.602 1.00 0.00 H new ATOM 0 HE2 HIS A 18 32.134 -10.266 -26.231 1.00 0.00 H new ATOM 232 N MET A 19 31.472 -10.312 -18.923 1.00 0.00 N ATOM 233 CA MET A 19 31.347 -10.125 -17.445 1.00 0.00 C ATOM 234 C MET A 19 32.734 -10.051 -16.800 1.00 0.00 C ATOM 235 O MET A 19 33.369 -11.054 -16.542 1.00 0.00 O ATOM 236 CB MET A 19 30.564 -11.295 -16.842 1.00 0.00 C ATOM 237 CG MET A 19 31.076 -12.618 -17.419 1.00 0.00 C ATOM 238 SD MET A 19 30.174 -13.992 -16.660 1.00 0.00 S ATOM 239 CE MET A 19 30.945 -13.897 -15.026 1.00 0.00 C ATOM 0 H MET A 19 30.798 -9.785 -19.478 1.00 0.00 H new ATOM 0 HA MET A 19 30.817 -9.192 -17.252 1.00 0.00 H new ATOM 0 HB2 MET A 19 30.672 -11.295 -15.757 1.00 0.00 H new ATOM 0 HB3 MET A 19 29.501 -11.182 -17.057 1.00 0.00 H new ATOM 0 HG2 MET A 19 30.941 -12.633 -18.500 1.00 0.00 H new ATOM 0 HG3 MET A 19 32.145 -12.721 -17.230 1.00 0.00 H new ATOM 0 HE1 MET A 19 31.294 -14.886 -14.730 1.00 0.00 H new ATOM 0 HE2 MET A 19 31.790 -13.210 -15.062 1.00 0.00 H new ATOM 0 HE3 MET A 19 30.216 -13.537 -14.300 1.00 0.00 H new ATOM 249 N GLY A 20 33.208 -8.866 -16.529 1.00 0.00 N ATOM 250 CA GLY A 20 34.550 -8.727 -15.902 1.00 0.00 C ATOM 251 C GLY A 20 35.612 -9.203 -16.893 1.00 0.00 C ATOM 252 O GLY A 20 36.511 -9.946 -16.550 1.00 0.00 O ATOM 0 H GLY A 20 32.723 -7.988 -16.715 1.00 0.00 H new ATOM 0 HA2 GLY A 20 34.731 -7.688 -15.626 1.00 0.00 H new ATOM 0 HA3 GLY A 20 34.600 -9.314 -14.985 1.00 0.00 H new ATOM 256 N GLY A 21 35.512 -8.779 -18.125 1.00 0.00 N ATOM 257 CA GLY A 21 36.503 -9.201 -19.145 1.00 0.00 C ATOM 258 C GLY A 21 36.642 -10.724 -19.127 1.00 0.00 C ATOM 259 O GLY A 21 37.664 -11.260 -18.748 1.00 0.00 O ATOM 0 H GLY A 21 34.781 -8.155 -18.466 1.00 0.00 H new ATOM 0 HA2 GLY A 21 36.188 -8.866 -20.133 1.00 0.00 H new ATOM 0 HA3 GLY A 21 37.468 -8.735 -18.944 1.00 0.00 H new ATOM 263 N GLY A 22 35.620 -11.427 -19.534 1.00 0.00 N ATOM 264 CA GLY A 22 35.695 -12.915 -19.537 1.00 0.00 C ATOM 265 C GLY A 22 34.952 -13.465 -20.757 1.00 0.00 C ATOM 266 O GLY A 22 33.776 -13.764 -20.697 1.00 0.00 O ATOM 0 H GLY A 22 34.738 -11.035 -19.864 1.00 0.00 H new ATOM 0 HA2 GLY A 22 36.736 -13.236 -19.558 1.00 0.00 H new ATOM 0 HA3 GLY A 22 35.257 -13.313 -18.622 1.00 0.00 H new ATOM 270 N ASN A 23 35.630 -13.599 -21.864 1.00 0.00 N ATOM 271 CA ASN A 23 34.965 -14.127 -23.088 1.00 0.00 C ATOM 272 C ASN A 23 34.469 -15.551 -22.834 1.00 0.00 C ATOM 273 O ASN A 23 35.115 -16.337 -22.170 1.00 0.00 O ATOM 274 CB ASN A 23 35.965 -14.139 -24.244 1.00 0.00 C ATOM 275 CG ASN A 23 35.272 -13.667 -25.522 1.00 0.00 C ATOM 276 OD1 ASN A 23 34.696 -14.458 -26.243 1.00 0.00 O ATOM 277 ND2 ASN A 23 35.301 -12.401 -25.835 1.00 0.00 N ATOM 0 H ASN A 23 36.617 -13.365 -21.973 1.00 0.00 H new ATOM 0 HA ASN A 23 34.118 -13.489 -23.341 1.00 0.00 H new ATOM 0 HB2 ASN A 23 36.810 -13.490 -24.015 1.00 0.00 H new ATOM 0 HB3 ASN A 23 36.364 -15.144 -24.384 1.00 0.00 H new ATOM 0 HD21 ASN A 23 34.840 -12.075 -26.685 1.00 0.00 H new ATOM 0 HD22 ASN A 23 35.784 -11.737 -25.230 1.00 0.00 H new ATOM 284 N VAL A 24 33.325 -15.890 -23.363 1.00 0.00 N ATOM 285 CA VAL A 24 32.789 -17.267 -23.156 1.00 0.00 C ATOM 286 C VAL A 24 33.028 -18.101 -24.414 1.00 0.00 C ATOM 287 O VAL A 24 32.899 -19.309 -24.403 1.00 0.00 O ATOM 288 CB VAL A 24 31.288 -17.206 -22.864 1.00 0.00 C ATOM 289 CG1 VAL A 24 31.062 -16.564 -21.494 1.00 0.00 C ATOM 290 CG2 VAL A 24 30.587 -16.376 -23.942 1.00 0.00 C ATOM 0 H VAL A 24 32.739 -15.275 -23.928 1.00 0.00 H new ATOM 0 HA VAL A 24 33.300 -17.725 -22.309 1.00 0.00 H new ATOM 0 HB VAL A 24 30.877 -18.216 -22.864 1.00 0.00 H new ATOM 0 HG11 VAL A 24 29.993 -16.520 -21.285 1.00 0.00 H new ATOM 0 HG12 VAL A 24 31.558 -17.159 -20.727 1.00 0.00 H new ATOM 0 HG13 VAL A 24 31.474 -15.555 -21.493 1.00 0.00 H new ATOM 0 HG21 VAL A 24 29.518 -16.334 -23.732 1.00 0.00 H new ATOM 0 HG22 VAL A 24 30.996 -15.366 -23.946 1.00 0.00 H new ATOM 0 HG23 VAL A 24 30.747 -16.836 -24.917 1.00 0.00 H new ATOM 300 N VAL A 25 33.378 -17.469 -25.498 1.00 0.00 N ATOM 301 CA VAL A 25 33.629 -18.230 -26.751 1.00 0.00 C ATOM 302 C VAL A 25 35.136 -18.315 -26.992 1.00 0.00 C ATOM 303 O VAL A 25 35.699 -19.386 -27.101 1.00 0.00 O ATOM 304 CB VAL A 25 32.963 -17.514 -27.926 1.00 0.00 C ATOM 305 CG1 VAL A 25 33.199 -18.314 -29.207 1.00 0.00 C ATOM 306 CG2 VAL A 25 31.460 -17.397 -27.666 1.00 0.00 C ATOM 0 H VAL A 25 33.501 -16.459 -25.570 1.00 0.00 H new ATOM 0 HA VAL A 25 33.215 -19.234 -26.660 1.00 0.00 H new ATOM 0 HB VAL A 25 33.390 -16.517 -28.036 1.00 0.00 H new ATOM 0 HG11 VAL A 25 32.725 -17.805 -30.046 1.00 0.00 H new ATOM 0 HG12 VAL A 25 34.270 -18.398 -29.392 1.00 0.00 H new ATOM 0 HG13 VAL A 25 32.771 -19.310 -29.098 1.00 0.00 H new ATOM 0 HG21 VAL A 25 30.985 -16.886 -28.504 1.00 0.00 H new ATOM 0 HG22 VAL A 25 31.031 -18.393 -27.557 1.00 0.00 H new ATOM 0 HG23 VAL A 25 31.292 -16.828 -26.752 1.00 0.00 H new ATOM 316 N MET A 26 35.794 -17.192 -27.068 1.00 0.00 N ATOM 317 CA MET A 26 37.267 -17.205 -27.295 1.00 0.00 C ATOM 318 C MET A 26 37.983 -16.907 -25.976 1.00 0.00 C ATOM 319 O MET A 26 38.187 -15.766 -25.613 1.00 0.00 O ATOM 320 CB MET A 26 37.637 -16.138 -28.325 1.00 0.00 C ATOM 321 CG MET A 26 37.280 -16.634 -29.727 1.00 0.00 C ATOM 322 SD MET A 26 38.555 -17.782 -30.303 1.00 0.00 S ATOM 323 CE MET A 26 37.535 -18.666 -31.508 1.00 0.00 C ATOM 0 H MET A 26 35.376 -16.266 -26.983 1.00 0.00 H new ATOM 0 HA MET A 26 37.569 -18.185 -27.665 1.00 0.00 H new ATOM 0 HB2 MET A 26 37.106 -15.211 -28.110 1.00 0.00 H new ATOM 0 HB3 MET A 26 38.703 -15.916 -28.267 1.00 0.00 H new ATOM 0 HG2 MET A 26 36.309 -17.129 -29.713 1.00 0.00 H new ATOM 0 HG3 MET A 26 37.198 -15.791 -30.413 1.00 0.00 H new ATOM 0 HE1 MET A 26 38.132 -19.438 -31.994 1.00 0.00 H new ATOM 0 HE2 MET A 26 36.689 -19.128 -30.999 1.00 0.00 H new ATOM 0 HE3 MET A 26 37.168 -17.965 -32.258 1.00 0.00 H new ATOM 333 N ALA A 27 38.363 -17.925 -25.253 1.00 0.00 N ATOM 334 CA ALA A 27 39.061 -17.699 -23.957 1.00 0.00 C ATOM 335 C ALA A 27 40.186 -16.679 -24.147 1.00 0.00 C ATOM 336 O ALA A 27 40.330 -15.749 -23.379 1.00 0.00 O ATOM 337 CB ALA A 27 39.651 -19.021 -23.461 1.00 0.00 C ATOM 0 H ALA A 27 38.220 -18.903 -25.504 1.00 0.00 H new ATOM 0 HA ALA A 27 38.349 -17.318 -23.225 1.00 0.00 H new ATOM 0 HB1 ALA A 27 40.162 -18.858 -22.512 1.00 0.00 H new ATOM 0 HB2 ALA A 27 38.850 -19.747 -23.321 1.00 0.00 H new ATOM 0 HB3 ALA A 27 40.361 -19.401 -24.196 1.00 0.00 H new ATOM 343 N ASN A 28 40.990 -16.849 -25.161 1.00 0.00 N ATOM 344 CA ASN A 28 42.108 -15.900 -25.393 1.00 0.00 C ATOM 345 C ASN A 28 41.553 -14.521 -25.759 1.00 0.00 C ATOM 346 O ASN A 28 42.109 -13.502 -25.398 1.00 0.00 O ATOM 347 CB ASN A 28 43.000 -16.426 -26.526 1.00 0.00 C ATOM 348 CG ASN A 28 42.380 -16.088 -27.888 1.00 0.00 C ATOM 349 OD1 ASN A 28 42.968 -15.370 -28.671 1.00 0.00 O ATOM 350 ND2 ASN A 28 41.212 -16.578 -28.204 1.00 0.00 N ATOM 0 H ASN A 28 40.918 -17.608 -25.839 1.00 0.00 H new ATOM 0 HA ASN A 28 42.701 -15.810 -24.483 1.00 0.00 H new ATOM 0 HB2 ASN A 28 43.994 -15.985 -26.451 1.00 0.00 H new ATOM 0 HB3 ASN A 28 43.122 -17.505 -26.431 1.00 0.00 H new ATOM 0 HD21 ASN A 28 40.794 -16.358 -29.108 1.00 0.00 H new ATOM 0 HD22 ASN A 28 40.717 -17.181 -27.547 1.00 0.00 H new ATOM 357 N LYS A 29 40.467 -14.481 -26.480 1.00 0.00 N ATOM 358 CA LYS A 29 39.884 -13.167 -26.874 1.00 0.00 C ATOM 359 C LYS A 29 38.995 -12.637 -25.748 1.00 0.00 C ATOM 360 O LYS A 29 37.790 -12.789 -25.771 1.00 0.00 O ATOM 361 CB LYS A 29 39.053 -13.340 -28.145 1.00 0.00 C ATOM 362 CG LYS A 29 39.297 -12.151 -29.077 1.00 0.00 C ATOM 363 CD LYS A 29 40.548 -12.415 -29.917 1.00 0.00 C ATOM 364 CE LYS A 29 40.173 -13.259 -31.137 1.00 0.00 C ATOM 365 NZ LYS A 29 40.166 -12.397 -32.354 1.00 0.00 N ATOM 0 H LYS A 29 39.958 -15.300 -26.813 1.00 0.00 H new ATOM 0 HA LYS A 29 40.689 -12.456 -27.059 1.00 0.00 H new ATOM 0 HB2 LYS A 29 39.323 -14.270 -28.645 1.00 0.00 H new ATOM 0 HB3 LYS A 29 37.994 -13.409 -27.894 1.00 0.00 H new ATOM 0 HG2 LYS A 29 38.434 -12.000 -29.726 1.00 0.00 H new ATOM 0 HG3 LYS A 29 39.422 -11.238 -28.495 1.00 0.00 H new ATOM 0 HD2 LYS A 29 40.991 -11.472 -30.236 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.298 -12.933 -29.319 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.885 -14.075 -31.261 1.00 0.00 H new ATOM 0 HE3 LYS A 29 39.192 -13.711 -30.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 39.911 -12.970 -33.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 39.471 -11.633 -32.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 41.111 -11.986 -32.494 1.00 0.00 H new ATOM 379 N THR A 30 39.581 -12.010 -24.766 1.00 0.00 N ATOM 380 CA THR A 30 38.776 -11.462 -23.640 1.00 0.00 C ATOM 381 C THR A 30 39.023 -9.959 -23.536 1.00 0.00 C ATOM 382 O THR A 30 39.876 -9.415 -24.209 1.00 0.00 O ATOM 383 CB THR A 30 39.197 -12.147 -22.337 1.00 0.00 C ATOM 384 OG1 THR A 30 39.173 -13.556 -22.515 1.00 0.00 O ATOM 385 CG2 THR A 30 38.234 -11.757 -21.215 1.00 0.00 C ATOM 0 H THR A 30 40.586 -11.853 -24.695 1.00 0.00 H new ATOM 0 HA THR A 30 37.716 -11.645 -23.816 1.00 0.00 H new ATOM 0 HB THR A 30 40.206 -11.830 -22.072 1.00 0.00 H new ATOM 0 HG1 THR A 30 40.017 -13.849 -22.917 1.00 0.00 H new ATOM 0 HG21 THR A 30 38.537 -12.246 -20.289 1.00 0.00 H new ATOM 0 HG22 THR A 30 38.254 -10.676 -21.077 1.00 0.00 H new ATOM 0 HG23 THR A 30 37.224 -12.070 -21.477 1.00 0.00 H new ATOM 393 N LEU A 31 38.282 -9.278 -22.709 1.00 0.00 N ATOM 394 CA LEU A 31 38.479 -7.808 -22.584 1.00 0.00 C ATOM 395 C LEU A 31 39.599 -7.537 -21.595 1.00 0.00 C ATOM 396 O LEU A 31 39.971 -6.410 -21.354 1.00 0.00 O ATOM 397 CB LEU A 31 37.206 -7.145 -22.071 1.00 0.00 C ATOM 398 CG LEU A 31 36.020 -7.356 -23.052 1.00 0.00 C ATOM 399 CD1 LEU A 31 36.336 -8.384 -24.144 1.00 0.00 C ATOM 400 CD2 LEU A 31 34.793 -7.834 -22.290 1.00 0.00 C ATOM 0 H LEU A 31 37.552 -9.673 -22.117 1.00 0.00 H new ATOM 0 HA LEU A 31 38.728 -7.402 -23.564 1.00 0.00 H new ATOM 0 HB2 LEU A 31 36.949 -7.555 -21.094 1.00 0.00 H new ATOM 0 HB3 LEU A 31 37.380 -6.078 -21.933 1.00 0.00 H new ATOM 0 HG LEU A 31 35.835 -6.393 -23.528 1.00 0.00 H new ATOM 0 HD11 LEU A 31 35.474 -8.493 -24.802 1.00 0.00 H new ATOM 0 HD12 LEU A 31 37.195 -8.046 -24.724 1.00 0.00 H new ATOM 0 HD13 LEU A 31 36.565 -9.345 -23.684 1.00 0.00 H new ATOM 0 HD21 LEU A 31 33.966 -7.979 -22.986 1.00 0.00 H new ATOM 0 HD22 LEU A 31 35.018 -8.777 -21.792 1.00 0.00 H new ATOM 0 HD23 LEU A 31 34.514 -7.088 -21.545 1.00 0.00 H new ATOM 412 N LYS A 32 40.126 -8.560 -20.996 1.00 0.00 N ATOM 413 CA LYS A 32 41.198 -8.344 -20.003 1.00 0.00 C ATOM 414 C LYS A 32 42.228 -7.356 -20.553 1.00 0.00 C ATOM 415 O LYS A 32 42.174 -6.953 -21.695 1.00 0.00 O ATOM 416 CB LYS A 32 41.884 -9.664 -19.675 1.00 0.00 C ATOM 417 CG LYS A 32 41.667 -9.987 -18.197 1.00 0.00 C ATOM 418 CD LYS A 32 40.773 -11.217 -18.081 1.00 0.00 C ATOM 419 CE LYS A 32 41.354 -12.331 -18.952 1.00 0.00 C ATOM 420 NZ LYS A 32 41.430 -13.595 -18.166 1.00 0.00 N ATOM 0 H LYS A 32 39.861 -9.533 -21.152 1.00 0.00 H new ATOM 0 HA LYS A 32 40.755 -7.936 -19.094 1.00 0.00 H new ATOM 0 HB2 LYS A 32 41.480 -10.462 -20.298 1.00 0.00 H new ATOM 0 HB3 LYS A 32 42.950 -9.598 -19.893 1.00 0.00 H new ATOM 0 HG2 LYS A 32 42.624 -10.170 -17.708 1.00 0.00 H new ATOM 0 HG3 LYS A 32 41.207 -9.139 -17.690 1.00 0.00 H new ATOM 0 HD2 LYS A 32 40.712 -11.543 -17.043 1.00 0.00 H new ATOM 0 HD3 LYS A 32 39.759 -10.978 -18.400 1.00 0.00 H new ATOM 0 HE2 LYS A 32 40.732 -12.477 -19.835 1.00 0.00 H new ATOM 0 HE3 LYS A 32 42.347 -12.050 -19.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 41.826 -14.351 -18.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 42.041 -13.452 -17.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 40.477 -13.866 -17.851 1.00 0.00 H new ATOM 434 N LYS A 33 43.166 -6.964 -19.745 1.00 0.00 N ATOM 435 CA LYS A 33 44.195 -5.993 -20.214 1.00 0.00 C ATOM 436 C LYS A 33 45.322 -6.725 -20.944 1.00 0.00 C ATOM 437 O LYS A 33 45.988 -6.167 -21.792 1.00 0.00 O ATOM 438 CB LYS A 33 44.773 -5.252 -19.006 1.00 0.00 C ATOM 439 CG LYS A 33 45.925 -4.351 -19.456 1.00 0.00 C ATOM 440 CD LYS A 33 45.357 -3.063 -20.057 1.00 0.00 C ATOM 441 CE LYS A 33 45.853 -2.909 -21.496 1.00 0.00 C ATOM 442 NZ LYS A 33 47.341 -2.827 -21.502 1.00 0.00 N ATOM 0 H LYS A 33 43.268 -7.272 -18.778 1.00 0.00 H new ATOM 0 HA LYS A 33 43.730 -5.285 -20.901 1.00 0.00 H new ATOM 0 HB2 LYS A 33 43.997 -4.654 -18.528 1.00 0.00 H new ATOM 0 HB3 LYS A 33 45.127 -5.967 -18.264 1.00 0.00 H new ATOM 0 HG2 LYS A 33 46.570 -4.117 -18.609 1.00 0.00 H new ATOM 0 HG3 LYS A 33 46.540 -4.869 -20.192 1.00 0.00 H new ATOM 0 HD2 LYS A 33 44.268 -3.090 -20.038 1.00 0.00 H new ATOM 0 HD3 LYS A 33 45.665 -2.204 -19.461 1.00 0.00 H new ATOM 0 HE2 LYS A 33 45.522 -3.755 -22.099 1.00 0.00 H new ATOM 0 HE3 LYS A 33 45.427 -2.012 -21.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 47.653 -2.232 -22.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 47.669 -2.410 -20.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 47.741 -3.781 -21.607 1.00 0.00 H new ATOM 456 N GLU A 34 45.557 -7.959 -20.608 1.00 0.00 N ATOM 457 CA GLU A 34 46.654 -8.707 -21.262 1.00 0.00 C ATOM 458 C GLU A 34 46.203 -9.280 -22.611 1.00 0.00 C ATOM 459 O GLU A 34 47.010 -9.506 -23.487 1.00 0.00 O ATOM 460 CB GLU A 34 47.100 -9.847 -20.349 1.00 0.00 C ATOM 461 CG GLU A 34 45.903 -10.747 -20.035 1.00 0.00 C ATOM 462 CD GLU A 34 46.339 -12.212 -20.082 1.00 0.00 C ATOM 463 OE1 GLU A 34 47.191 -12.582 -19.290 1.00 0.00 O ATOM 464 OE2 GLU A 34 45.813 -12.941 -20.907 1.00 0.00 O ATOM 0 H GLU A 34 45.033 -8.481 -19.906 1.00 0.00 H new ATOM 0 HA GLU A 34 47.483 -8.022 -21.440 1.00 0.00 H new ATOM 0 HB2 GLU A 34 47.888 -10.426 -20.831 1.00 0.00 H new ATOM 0 HB3 GLU A 34 47.519 -9.446 -19.426 1.00 0.00 H new ATOM 0 HG2 GLU A 34 45.503 -10.507 -19.050 1.00 0.00 H new ATOM 0 HG3 GLU A 34 45.104 -10.571 -20.755 1.00 0.00 H new ATOM 471 N ALA A 35 44.934 -9.545 -22.782 1.00 0.00 N ATOM 472 CA ALA A 35 44.468 -10.130 -24.065 1.00 0.00 C ATOM 473 C ALA A 35 43.722 -9.097 -24.907 1.00 0.00 C ATOM 474 O ALA A 35 43.813 -9.106 -26.118 1.00 0.00 O ATOM 475 CB ALA A 35 43.544 -11.314 -23.778 1.00 0.00 C ATOM 0 H ALA A 35 44.205 -9.381 -22.088 1.00 0.00 H new ATOM 0 HA ALA A 35 45.342 -10.462 -24.626 1.00 0.00 H new ATOM 0 HB1 ALA A 35 43.201 -11.744 -24.719 1.00 0.00 H new ATOM 0 HB2 ALA A 35 44.087 -12.070 -23.210 1.00 0.00 H new ATOM 0 HB3 ALA A 35 42.685 -10.973 -23.200 1.00 0.00 H new ATOM 481 N LEU A 36 42.985 -8.207 -24.304 1.00 0.00 N ATOM 482 CA LEU A 36 42.267 -7.209 -25.132 1.00 0.00 C ATOM 483 C LEU A 36 43.307 -6.405 -25.917 1.00 0.00 C ATOM 484 O LEU A 36 43.124 -6.088 -27.075 1.00 0.00 O ATOM 485 CB LEU A 36 41.409 -6.300 -24.251 1.00 0.00 C ATOM 486 CG LEU A 36 42.221 -5.121 -23.737 1.00 0.00 C ATOM 487 CD1 LEU A 36 42.343 -4.072 -24.840 1.00 0.00 C ATOM 488 CD2 LEU A 36 41.490 -4.524 -22.551 1.00 0.00 C ATOM 0 H LEU A 36 42.852 -8.130 -23.296 1.00 0.00 H new ATOM 0 HA LEU A 36 41.593 -7.708 -25.828 1.00 0.00 H new ATOM 0 HB2 LEU A 36 40.553 -5.937 -24.820 1.00 0.00 H new ATOM 0 HB3 LEU A 36 41.014 -6.869 -23.410 1.00 0.00 H new ATOM 0 HG LEU A 36 43.218 -5.447 -23.441 1.00 0.00 H new ATOM 0 HD11 LEU A 36 42.925 -3.226 -24.474 1.00 0.00 H new ATOM 0 HD12 LEU A 36 42.843 -4.509 -25.704 1.00 0.00 H new ATOM 0 HD13 LEU A 36 41.349 -3.731 -25.130 1.00 0.00 H new ATOM 0 HD21 LEU A 36 42.055 -3.675 -22.165 1.00 0.00 H new ATOM 0 HD22 LEU A 36 40.501 -4.189 -22.864 1.00 0.00 H new ATOM 0 HD23 LEU A 36 41.388 -5.277 -21.770 1.00 0.00 H new ATOM 500 N GLU A 37 44.405 -6.085 -25.284 1.00 0.00 N ATOM 501 CA GLU A 37 45.471 -5.320 -25.968 1.00 0.00 C ATOM 502 C GLU A 37 46.536 -6.293 -26.485 1.00 0.00 C ATOM 503 O GLU A 37 47.558 -5.893 -27.005 1.00 0.00 O ATOM 504 CB GLU A 37 46.109 -4.336 -24.990 1.00 0.00 C ATOM 505 CG GLU A 37 46.051 -2.933 -25.592 1.00 0.00 C ATOM 506 CD GLU A 37 47.428 -2.551 -26.138 1.00 0.00 C ATOM 507 OE1 GLU A 37 47.785 -3.053 -27.191 1.00 0.00 O ATOM 508 OE2 GLU A 37 48.101 -1.764 -25.495 1.00 0.00 O ATOM 0 H GLU A 37 44.604 -6.327 -24.313 1.00 0.00 H new ATOM 0 HA GLU A 37 45.043 -4.766 -26.803 1.00 0.00 H new ATOM 0 HB2 GLU A 37 45.583 -4.359 -24.035 1.00 0.00 H new ATOM 0 HB3 GLU A 37 47.143 -4.619 -24.791 1.00 0.00 H new ATOM 0 HG2 GLU A 37 45.310 -2.899 -26.391 1.00 0.00 H new ATOM 0 HG3 GLU A 37 45.737 -2.214 -24.835 1.00 0.00 H new ATOM 515 N GLN A 38 46.289 -7.572 -26.363 1.00 0.00 N ATOM 516 CA GLN A 38 47.251 -8.579 -26.854 1.00 0.00 C ATOM 517 C GLN A 38 47.232 -8.498 -28.368 1.00 0.00 C ATOM 518 O GLN A 38 48.249 -8.435 -29.031 1.00 0.00 O ATOM 519 CB GLN A 38 46.783 -9.968 -26.403 1.00 0.00 C ATOM 520 CG GLN A 38 47.284 -11.024 -27.382 1.00 0.00 C ATOM 521 CD GLN A 38 48.797 -10.866 -27.537 1.00 0.00 C ATOM 522 OE1 GLN A 38 49.369 -11.299 -28.517 1.00 0.00 O ATOM 523 NE2 GLN A 38 49.473 -10.258 -26.599 1.00 0.00 N ATOM 0 H GLN A 38 45.447 -7.958 -25.936 1.00 0.00 H new ATOM 0 HA GLN A 38 48.255 -8.402 -26.469 1.00 0.00 H new ATOM 0 HB2 GLN A 38 47.157 -10.181 -25.402 1.00 0.00 H new ATOM 0 HB3 GLN A 38 45.695 -9.996 -26.349 1.00 0.00 H new ATOM 0 HG2 GLN A 38 47.043 -12.023 -27.017 1.00 0.00 H new ATOM 0 HG3 GLN A 38 46.791 -10.910 -28.347 1.00 0.00 H new ATOM 0 HE21 GLN A 38 48.991 -9.895 -25.777 1.00 0.00 H new ATOM 0 HE22 GLN A 38 50.483 -10.146 -26.689 1.00 0.00 H new ATOM 532 N PHE A 39 46.054 -8.477 -28.900 1.00 0.00 N ATOM 533 CA PHE A 39 45.899 -8.375 -30.367 1.00 0.00 C ATOM 534 C PHE A 39 45.912 -6.906 -30.784 1.00 0.00 C ATOM 535 O PHE A 39 46.486 -6.544 -31.793 1.00 0.00 O ATOM 536 CB PHE A 39 44.597 -9.032 -30.828 1.00 0.00 C ATOM 537 CG PHE A 39 43.618 -9.207 -29.688 1.00 0.00 C ATOM 538 CD1 PHE A 39 42.996 -8.097 -29.094 1.00 0.00 C ATOM 539 CD2 PHE A 39 43.320 -10.499 -29.237 1.00 0.00 C ATOM 540 CE1 PHE A 39 42.082 -8.288 -28.053 1.00 0.00 C ATOM 541 CE2 PHE A 39 42.407 -10.685 -28.194 1.00 0.00 C ATOM 542 CZ PHE A 39 41.787 -9.580 -27.602 1.00 0.00 C ATOM 0 H PHE A 39 45.180 -8.527 -28.376 1.00 0.00 H new ATOM 0 HA PHE A 39 46.731 -8.898 -30.838 1.00 0.00 H new ATOM 0 HB2 PHE A 39 44.140 -8.424 -31.609 1.00 0.00 H new ATOM 0 HB3 PHE A 39 44.817 -10.004 -31.269 1.00 0.00 H new ATOM 0 HD1 PHE A 39 43.223 -7.099 -29.440 1.00 0.00 H new ATOM 0 HD2 PHE A 39 43.796 -11.353 -29.695 1.00 0.00 H new ATOM 0 HE1 PHE A 39 41.602 -7.436 -27.595 1.00 0.00 H new ATOM 0 HE2 PHE A 39 42.181 -11.682 -27.846 1.00 0.00 H new ATOM 0 HZ PHE A 39 41.081 -9.723 -26.797 1.00 0.00 H new ATOM 552 N GLY A 40 45.300 -6.057 -30.017 1.00 0.00 N ATOM 553 CA GLY A 40 45.296 -4.609 -30.373 1.00 0.00 C ATOM 554 C GLY A 40 43.862 -4.113 -30.579 1.00 0.00 C ATOM 555 O GLY A 40 43.403 -3.958 -31.692 1.00 0.00 O ATOM 0 H GLY A 40 44.802 -6.297 -29.160 1.00 0.00 H new ATOM 0 HA2 GLY A 40 45.777 -4.033 -29.583 1.00 0.00 H new ATOM 0 HA3 GLY A 40 45.876 -4.450 -31.282 1.00 0.00 H new ATOM 559 N MET A 41 43.160 -3.847 -29.513 1.00 0.00 N ATOM 560 CA MET A 41 41.764 -3.340 -29.640 1.00 0.00 C ATOM 561 C MET A 41 41.375 -2.638 -28.340 1.00 0.00 C ATOM 562 O MET A 41 40.217 -2.539 -27.986 1.00 0.00 O ATOM 563 CB MET A 41 40.808 -4.500 -29.911 1.00 0.00 C ATOM 564 CG MET A 41 40.602 -5.303 -28.632 1.00 0.00 C ATOM 565 SD MET A 41 38.863 -5.194 -28.133 1.00 0.00 S ATOM 566 CE MET A 41 39.128 -4.491 -26.489 1.00 0.00 C ATOM 0 H MET A 41 43.494 -3.959 -28.556 1.00 0.00 H new ATOM 0 HA MET A 41 41.703 -2.638 -30.472 1.00 0.00 H new ATOM 0 HB2 MET A 41 39.852 -4.120 -30.272 1.00 0.00 H new ATOM 0 HB3 MET A 41 41.212 -5.142 -30.694 1.00 0.00 H new ATOM 0 HG2 MET A 41 40.882 -6.344 -28.793 1.00 0.00 H new ATOM 0 HG3 MET A 41 41.245 -4.919 -27.840 1.00 0.00 H new ATOM 0 HE1 MET A 41 38.614 -5.100 -25.746 1.00 0.00 H new ATOM 0 HE2 MET A 41 40.195 -4.473 -26.269 1.00 0.00 H new ATOM 0 HE3 MET A 41 38.735 -3.475 -26.460 1.00 0.00 H new ATOM 576 N TYR A 42 42.352 -2.158 -27.626 1.00 0.00 N ATOM 577 CA TYR A 42 42.090 -1.461 -26.337 1.00 0.00 C ATOM 578 C TYR A 42 41.522 -0.060 -26.614 1.00 0.00 C ATOM 579 O TYR A 42 41.278 0.714 -25.714 1.00 0.00 O ATOM 580 CB TYR A 42 43.428 -1.377 -25.583 1.00 0.00 C ATOM 581 CG TYR A 42 43.261 -0.735 -24.218 1.00 0.00 C ATOM 582 CD1 TYR A 42 43.180 0.658 -24.100 1.00 0.00 C ATOM 583 CD2 TYR A 42 43.202 -1.536 -23.068 1.00 0.00 C ATOM 584 CE1 TYR A 42 43.035 1.248 -22.838 1.00 0.00 C ATOM 585 CE2 TYR A 42 43.060 -0.943 -21.808 1.00 0.00 C ATOM 586 CZ TYR A 42 42.976 0.448 -21.693 1.00 0.00 C ATOM 587 OH TYR A 42 42.835 1.031 -20.450 1.00 0.00 O ATOM 0 H TYR A 42 43.337 -2.220 -27.885 1.00 0.00 H new ATOM 0 HA TYR A 42 41.358 -2.000 -25.735 1.00 0.00 H new ATOM 0 HB2 TYR A 42 43.844 -2.378 -25.467 1.00 0.00 H new ATOM 0 HB3 TYR A 42 44.142 -0.801 -26.172 1.00 0.00 H new ATOM 0 HD1 TYR A 42 43.229 1.278 -24.983 1.00 0.00 H new ATOM 0 HD2 TYR A 42 43.266 -2.611 -23.155 1.00 0.00 H new ATOM 0 HE1 TYR A 42 42.969 2.322 -22.749 1.00 0.00 H new ATOM 0 HE2 TYR A 42 43.015 -1.561 -20.923 1.00 0.00 H new ATOM 0 HH TYR A 42 42.099 1.678 -20.474 1.00 0.00 H new ATOM 597 N SER A 43 41.302 0.273 -27.859 1.00 0.00 N ATOM 598 CA SER A 43 40.758 1.622 -28.180 1.00 0.00 C ATOM 599 C SER A 43 39.270 1.543 -28.539 1.00 0.00 C ATOM 600 O SER A 43 38.768 0.520 -28.969 1.00 0.00 O ATOM 601 CB SER A 43 41.528 2.207 -29.353 1.00 0.00 C ATOM 602 OG SER A 43 42.269 3.337 -28.916 1.00 0.00 O ATOM 0 H SER A 43 41.475 -0.330 -28.664 1.00 0.00 H new ATOM 0 HA SER A 43 40.868 2.258 -27.302 1.00 0.00 H new ATOM 0 HB2 SER A 43 42.200 1.457 -29.771 1.00 0.00 H new ATOM 0 HB3 SER A 43 40.839 2.495 -30.147 1.00 0.00 H new ATOM 0 HG SER A 43 42.767 3.714 -29.671 1.00 0.00 H new ATOM 608 N GLU A 44 38.571 2.632 -28.360 1.00 0.00 N ATOM 609 CA GLU A 44 37.117 2.677 -28.677 1.00 0.00 C ATOM 610 C GLU A 44 36.859 2.141 -30.084 1.00 0.00 C ATOM 611 O GLU A 44 36.201 1.150 -30.256 1.00 0.00 O ATOM 612 CB GLU A 44 36.634 4.128 -28.599 1.00 0.00 C ATOM 613 CG GLU A 44 36.345 4.497 -27.142 1.00 0.00 C ATOM 614 CD GLU A 44 37.353 5.547 -26.672 1.00 0.00 C ATOM 615 OE1 GLU A 44 37.490 6.554 -27.347 1.00 0.00 O ATOM 616 OE2 GLU A 44 37.971 5.327 -25.642 1.00 0.00 O ATOM 0 H GLU A 44 38.955 3.506 -28.001 1.00 0.00 H new ATOM 0 HA GLU A 44 36.579 2.058 -27.959 1.00 0.00 H new ATOM 0 HB2 GLU A 44 37.391 4.796 -29.010 1.00 0.00 H new ATOM 0 HB3 GLU A 44 35.735 4.255 -29.202 1.00 0.00 H new ATOM 0 HG2 GLU A 44 35.330 4.884 -27.048 1.00 0.00 H new ATOM 0 HG3 GLU A 44 36.407 3.610 -26.512 1.00 0.00 H new ATOM 623 N ASP A 45 37.346 2.798 -31.092 1.00 0.00 N ATOM 624 CA ASP A 45 37.090 2.328 -32.481 1.00 0.00 C ATOM 625 C ASP A 45 37.328 0.817 -32.615 1.00 0.00 C ATOM 626 O ASP A 45 36.694 0.154 -33.412 1.00 0.00 O ATOM 627 CB ASP A 45 38.007 3.077 -33.430 1.00 0.00 C ATOM 628 CG ASP A 45 37.574 2.816 -34.874 1.00 0.00 C ATOM 629 OD1 ASP A 45 36.634 3.457 -35.315 1.00 0.00 O ATOM 630 OD2 ASP A 45 38.189 1.980 -35.515 1.00 0.00 O ATOM 0 H ASP A 45 37.912 3.643 -31.017 1.00 0.00 H new ATOM 0 HA ASP A 45 36.047 2.524 -32.728 1.00 0.00 H new ATOM 0 HB2 ASP A 45 37.973 4.145 -33.217 1.00 0.00 H new ATOM 0 HB3 ASP A 45 39.038 2.755 -33.285 1.00 0.00 H new ATOM 635 N ALA A 46 38.239 0.265 -31.863 1.00 0.00 N ATOM 636 CA ALA A 46 38.512 -1.202 -31.976 1.00 0.00 C ATOM 637 C ALA A 46 37.337 -2.013 -31.429 1.00 0.00 C ATOM 638 O ALA A 46 36.573 -2.616 -32.164 1.00 0.00 O ATOM 639 CB ALA A 46 39.773 -1.542 -31.181 1.00 0.00 C ATOM 0 H ALA A 46 38.807 0.761 -31.176 1.00 0.00 H new ATOM 0 HA ALA A 46 38.651 -1.453 -33.028 1.00 0.00 H new ATOM 0 HB1 ALA A 46 39.976 -2.610 -31.260 1.00 0.00 H new ATOM 0 HB2 ALA A 46 40.618 -0.981 -31.581 1.00 0.00 H new ATOM 0 HB3 ALA A 46 39.625 -1.277 -30.134 1.00 0.00 H new ATOM 645 N ILE A 47 37.196 -2.044 -30.143 1.00 0.00 N ATOM 646 CA ILE A 47 36.086 -2.818 -29.534 1.00 0.00 C ATOM 647 C ILE A 47 34.753 -2.274 -30.027 1.00 0.00 C ATOM 648 O ILE A 47 33.737 -2.924 -29.956 1.00 0.00 O ATOM 649 CB ILE A 47 36.191 -2.670 -28.032 1.00 0.00 C ATOM 650 CG1 ILE A 47 35.110 -3.479 -27.333 1.00 0.00 C ATOM 651 CG2 ILE A 47 36.012 -1.210 -27.645 1.00 0.00 C ATOM 652 CD1 ILE A 47 35.269 -3.277 -25.824 1.00 0.00 C ATOM 0 H ILE A 47 37.805 -1.564 -29.480 1.00 0.00 H new ATOM 0 HA ILE A 47 36.149 -3.870 -29.812 1.00 0.00 H new ATOM 0 HB ILE A 47 37.173 -3.031 -27.727 1.00 0.00 H new ATOM 0 HG12 ILE A 47 34.121 -3.155 -27.659 1.00 0.00 H new ATOM 0 HG13 ILE A 47 35.200 -4.535 -27.588 1.00 0.00 H new ATOM 0 HG21 ILE A 47 36.088 -1.109 -26.562 1.00 0.00 H new ATOM 0 HG22 ILE A 47 36.787 -0.610 -28.121 1.00 0.00 H new ATOM 0 HG23 ILE A 47 35.032 -0.864 -27.974 1.00 0.00 H new ATOM 0 HD11 ILE A 47 34.504 -3.848 -25.298 1.00 0.00 H new ATOM 0 HD12 ILE A 47 36.256 -3.620 -25.513 1.00 0.00 H new ATOM 0 HD13 ILE A 47 35.161 -2.219 -25.585 1.00 0.00 H new ATOM 664 N ILE A 48 34.765 -1.091 -30.552 1.00 0.00 N ATOM 665 CA ILE A 48 33.511 -0.494 -31.081 1.00 0.00 C ATOM 666 C ILE A 48 33.163 -1.229 -32.372 1.00 0.00 C ATOM 667 O ILE A 48 32.011 -1.452 -32.690 1.00 0.00 O ATOM 668 CB ILE A 48 33.732 1.000 -31.358 1.00 0.00 C ATOM 669 CG1 ILE A 48 33.662 1.778 -30.047 1.00 0.00 C ATOM 670 CG2 ILE A 48 32.649 1.526 -32.294 1.00 0.00 C ATOM 671 CD1 ILE A 48 33.949 3.256 -30.317 1.00 0.00 C ATOM 0 H ILE A 48 35.594 -0.504 -30.640 1.00 0.00 H new ATOM 0 HA ILE A 48 32.697 -0.590 -30.362 1.00 0.00 H new ATOM 0 HB ILE A 48 34.710 1.129 -31.821 1.00 0.00 H new ATOM 0 HG12 ILE A 48 32.676 1.664 -29.596 1.00 0.00 H new ATOM 0 HG13 ILE A 48 34.386 1.380 -29.336 1.00 0.00 H new ATOM 0 HG21 ILE A 48 32.816 2.586 -32.484 1.00 0.00 H new ATOM 0 HG22 ILE A 48 32.685 0.979 -33.236 1.00 0.00 H new ATOM 0 HG23 ILE A 48 31.671 1.389 -31.832 1.00 0.00 H new ATOM 0 HD11 ILE A 48 33.899 3.813 -29.381 1.00 0.00 H new ATOM 0 HD12 ILE A 48 34.944 3.360 -30.749 1.00 0.00 H new ATOM 0 HD13 ILE A 48 33.208 3.649 -31.013 1.00 0.00 H new ATOM 683 N TYR A 49 34.167 -1.622 -33.105 1.00 0.00 N ATOM 684 CA TYR A 49 33.933 -2.364 -34.371 1.00 0.00 C ATOM 685 C TYR A 49 33.442 -3.778 -34.054 1.00 0.00 C ATOM 686 O TYR A 49 32.698 -4.360 -34.815 1.00 0.00 O ATOM 687 CB TYR A 49 35.229 -2.447 -35.170 1.00 0.00 C ATOM 688 CG TYR A 49 34.943 -3.138 -36.477 1.00 0.00 C ATOM 689 CD1 TYR A 49 34.972 -4.535 -36.549 1.00 0.00 C ATOM 690 CD2 TYR A 49 34.641 -2.383 -37.614 1.00 0.00 C ATOM 691 CE1 TYR A 49 34.699 -5.178 -37.760 1.00 0.00 C ATOM 692 CE2 TYR A 49 34.366 -3.025 -38.826 1.00 0.00 C ATOM 693 CZ TYR A 49 34.396 -4.424 -38.900 1.00 0.00 C ATOM 694 OH TYR A 49 34.126 -5.057 -40.096 1.00 0.00 O ATOM 0 H TYR A 49 35.148 -1.458 -32.877 1.00 0.00 H new ATOM 0 HA TYR A 49 33.180 -1.838 -34.958 1.00 0.00 H new ATOM 0 HB2 TYR A 49 35.628 -1.449 -35.349 1.00 0.00 H new ATOM 0 HB3 TYR A 49 35.985 -2.996 -34.609 1.00 0.00 H new ATOM 0 HD1 TYR A 49 35.205 -5.116 -35.669 1.00 0.00 H new ATOM 0 HD2 TYR A 49 34.620 -1.305 -37.557 1.00 0.00 H new ATOM 0 HE1 TYR A 49 34.722 -6.256 -37.816 1.00 0.00 H new ATOM 0 HE2 TYR A 49 34.131 -2.443 -39.705 1.00 0.00 H new ATOM 0 HH TYR A 49 33.934 -4.387 -40.785 1.00 0.00 H new ATOM 704 N GLN A 50 33.831 -4.352 -32.944 1.00 0.00 N ATOM 705 CA GLN A 50 33.316 -5.725 -32.652 1.00 0.00 C ATOM 706 C GLN A 50 32.069 -5.616 -31.767 1.00 0.00 C ATOM 707 O GLN A 50 31.324 -6.562 -31.607 1.00 0.00 O ATOM 708 CB GLN A 50 34.368 -6.607 -31.976 1.00 0.00 C ATOM 709 CG GLN A 50 35.228 -5.782 -31.041 1.00 0.00 C ATOM 710 CD GLN A 50 36.351 -5.122 -31.841 1.00 0.00 C ATOM 711 OE1 GLN A 50 36.207 -4.883 -33.024 1.00 0.00 O ATOM 712 NE2 GLN A 50 37.473 -4.813 -31.249 1.00 0.00 N ATOM 0 H GLN A 50 34.460 -3.949 -32.249 1.00 0.00 H new ATOM 0 HA GLN A 50 33.065 -6.200 -33.600 1.00 0.00 H new ATOM 0 HB2 GLN A 50 33.878 -7.406 -31.420 1.00 0.00 H new ATOM 0 HB3 GLN A 50 34.994 -7.082 -32.732 1.00 0.00 H new ATOM 0 HG2 GLN A 50 34.623 -5.022 -30.546 1.00 0.00 H new ATOM 0 HG3 GLN A 50 35.646 -6.415 -30.259 1.00 0.00 H new ATOM 0 HE21 GLN A 50 37.598 -5.012 -30.256 1.00 0.00 H new ATOM 0 HE22 GLN A 50 38.225 -4.373 -31.779 1.00 0.00 H new ATOM 721 N VAL A 51 31.824 -4.459 -31.210 1.00 0.00 N ATOM 722 CA VAL A 51 30.613 -4.273 -30.355 1.00 0.00 C ATOM 723 C VAL A 51 29.441 -3.868 -31.237 1.00 0.00 C ATOM 724 O VAL A 51 28.293 -4.037 -30.888 1.00 0.00 O ATOM 725 CB VAL A 51 30.846 -3.135 -29.367 1.00 0.00 C ATOM 726 CG1 VAL A 51 29.532 -2.806 -28.654 1.00 0.00 C ATOM 727 CG2 VAL A 51 31.886 -3.549 -28.327 1.00 0.00 C ATOM 0 H VAL A 51 32.412 -3.632 -31.310 1.00 0.00 H new ATOM 0 HA VAL A 51 30.410 -5.204 -29.826 1.00 0.00 H new ATOM 0 HB VAL A 51 31.206 -2.261 -29.910 1.00 0.00 H new ATOM 0 HG11 VAL A 51 29.695 -1.993 -27.947 1.00 0.00 H new ATOM 0 HG12 VAL A 51 28.785 -2.504 -29.388 1.00 0.00 H new ATOM 0 HG13 VAL A 51 29.178 -3.687 -28.118 1.00 0.00 H new ATOM 0 HG21 VAL A 51 32.046 -2.730 -27.626 1.00 0.00 H new ATOM 0 HG22 VAL A 51 31.530 -4.426 -27.786 1.00 0.00 H new ATOM 0 HG23 VAL A 51 32.825 -3.787 -28.826 1.00 0.00 H new ATOM 737 N GLN A 52 29.730 -3.306 -32.370 1.00 0.00 N ATOM 738 CA GLN A 52 28.656 -2.846 -33.274 1.00 0.00 C ATOM 739 C GLN A 52 28.438 -3.874 -34.362 1.00 0.00 C ATOM 740 O GLN A 52 27.527 -3.771 -35.158 1.00 0.00 O ATOM 741 CB GLN A 52 29.103 -1.550 -33.910 1.00 0.00 C ATOM 742 CG GLN A 52 28.491 -0.365 -33.157 1.00 0.00 C ATOM 743 CD GLN A 52 28.087 0.720 -34.157 1.00 0.00 C ATOM 744 OE1 GLN A 52 27.202 1.510 -33.889 1.00 0.00 O ATOM 745 NE2 GLN A 52 28.700 0.790 -35.303 1.00 0.00 N ATOM 0 H GLN A 52 30.678 -3.145 -32.711 1.00 0.00 H new ATOM 0 HA GLN A 52 27.730 -2.705 -32.717 1.00 0.00 H new ATOM 0 HB2 GLN A 52 30.191 -1.482 -33.892 1.00 0.00 H new ATOM 0 HB3 GLN A 52 28.799 -1.524 -34.956 1.00 0.00 H new ATOM 0 HG2 GLN A 52 27.621 -0.692 -32.588 1.00 0.00 H new ATOM 0 HG3 GLN A 52 29.209 0.035 -32.441 1.00 0.00 H new ATOM 0 HE21 GLN A 52 29.442 0.127 -35.526 1.00 0.00 H new ATOM 0 HE22 GLN A 52 28.438 1.508 -35.978 1.00 0.00 H new ATOM 754 N HIS A 53 29.282 -4.856 -34.422 1.00 0.00 N ATOM 755 CA HIS A 53 29.135 -5.866 -35.468 1.00 0.00 C ATOM 756 C HIS A 53 29.606 -7.190 -34.914 1.00 0.00 C ATOM 757 O HIS A 53 29.850 -8.128 -35.646 1.00 0.00 O ATOM 758 CB HIS A 53 30.000 -5.509 -36.653 1.00 0.00 C ATOM 759 CG HIS A 53 30.289 -4.026 -36.716 1.00 0.00 C ATOM 760 ND1 HIS A 53 30.151 -3.305 -37.893 1.00 0.00 N ATOM 761 CD2 HIS A 53 30.712 -3.117 -35.776 1.00 0.00 C ATOM 762 CE1 HIS A 53 30.486 -2.029 -37.632 1.00 0.00 C ATOM 763 NE2 HIS A 53 30.837 -1.860 -36.356 1.00 0.00 N ATOM 0 H HIS A 53 30.067 -4.995 -33.785 1.00 0.00 H new ATOM 0 HA HIS A 53 28.093 -5.920 -35.783 1.00 0.00 H new ATOM 0 HB2 HIS A 53 30.939 -6.059 -36.595 1.00 0.00 H new ATOM 0 HB3 HIS A 53 29.503 -5.821 -37.572 1.00 0.00 H new ATOM 0 HD2 HIS A 53 30.917 -3.345 -34.740 1.00 0.00 H new ATOM 0 HE1 HIS A 53 30.473 -1.237 -38.366 1.00 0.00 H new ATOM 0 HE2 HIS A 53 31.133 -0.995 -35.904 1.00 0.00 H new ATOM 771 N GLY A 54 29.775 -7.275 -33.626 1.00 0.00 N ATOM 772 CA GLY A 54 30.268 -8.534 -33.068 1.00 0.00 C ATOM 773 C GLY A 54 31.540 -8.878 -33.807 1.00 0.00 C ATOM 774 O GLY A 54 32.384 -8.045 -34.048 1.00 0.00 O ATOM 0 H GLY A 54 29.592 -6.530 -32.953 1.00 0.00 H new ATOM 0 HA2 GLY A 54 30.458 -8.434 -31.999 1.00 0.00 H new ATOM 0 HA3 GLY A 54 29.527 -9.325 -33.187 1.00 0.00 H new ATOM 778 N LYS A 55 31.649 -10.093 -34.174 1.00 0.00 N ATOM 779 CA LYS A 55 32.844 -10.573 -34.924 1.00 0.00 C ATOM 780 C LYS A 55 33.017 -12.069 -34.698 1.00 0.00 C ATOM 781 O LYS A 55 33.045 -12.539 -33.578 1.00 0.00 O ATOM 782 CB LYS A 55 34.096 -9.840 -34.450 1.00 0.00 C ATOM 783 CG LYS A 55 34.473 -8.797 -35.502 1.00 0.00 C ATOM 784 CD LYS A 55 35.607 -7.918 -34.975 1.00 0.00 C ATOM 785 CE LYS A 55 36.833 -8.073 -35.875 1.00 0.00 C ATOM 786 NZ LYS A 55 37.926 -7.188 -35.381 1.00 0.00 N ATOM 0 H LYS A 55 30.948 -10.811 -33.989 1.00 0.00 H new ATOM 0 HA LYS A 55 32.698 -10.374 -35.986 1.00 0.00 H new ATOM 0 HB2 LYS A 55 33.913 -9.360 -33.489 1.00 0.00 H new ATOM 0 HB3 LYS A 55 34.915 -10.544 -34.304 1.00 0.00 H new ATOM 0 HG2 LYS A 55 34.781 -9.291 -36.423 1.00 0.00 H new ATOM 0 HG3 LYS A 55 33.606 -8.182 -35.745 1.00 0.00 H new ATOM 0 HD2 LYS A 55 35.291 -6.875 -34.949 1.00 0.00 H new ATOM 0 HD3 LYS A 55 35.855 -8.201 -33.952 1.00 0.00 H new ATOM 0 HE2 LYS A 55 37.165 -9.111 -35.880 1.00 0.00 H new ATOM 0 HE3 LYS A 55 36.578 -7.815 -36.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 38.761 -7.293 -35.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 37.606 -6.199 -35.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 38.175 -7.454 -34.407 1.00 0.00 H new ATOM 800 N ASN A 56 33.127 -12.820 -35.754 1.00 0.00 N ATOM 801 CA ASN A 56 33.292 -14.288 -35.605 1.00 0.00 C ATOM 802 C ASN A 56 32.065 -14.855 -34.885 1.00 0.00 C ATOM 803 O ASN A 56 31.099 -15.254 -35.505 1.00 0.00 O ATOM 804 CB ASN A 56 34.555 -14.584 -34.793 1.00 0.00 C ATOM 805 CG ASN A 56 35.780 -14.074 -35.556 1.00 0.00 C ATOM 806 OD1 ASN A 56 36.450 -14.830 -36.230 1.00 0.00 O ATOM 807 ND2 ASN A 56 36.103 -12.811 -35.476 1.00 0.00 N ATOM 0 H ASN A 56 33.110 -12.480 -36.715 1.00 0.00 H new ATOM 0 HA ASN A 56 33.387 -14.752 -36.587 1.00 0.00 H new ATOM 0 HB2 ASN A 56 34.494 -14.103 -33.817 1.00 0.00 H new ATOM 0 HB3 ASN A 56 34.644 -15.656 -34.615 1.00 0.00 H new ATOM 0 HD21 ASN A 56 36.918 -12.460 -35.980 1.00 0.00 H new ATOM 0 HD22 ASN A 56 35.541 -12.176 -34.910 1.00 0.00 H new ATOM 814 N ALA A 57 32.091 -14.885 -33.580 1.00 0.00 N ATOM 815 CA ALA A 57 30.924 -15.415 -32.821 1.00 0.00 C ATOM 816 C ALA A 57 30.405 -14.330 -31.870 1.00 0.00 C ATOM 817 O ALA A 57 29.864 -14.620 -30.822 1.00 0.00 O ATOM 818 CB ALA A 57 31.357 -16.637 -32.008 1.00 0.00 C ATOM 0 H ALA A 57 32.871 -14.565 -33.007 1.00 0.00 H new ATOM 0 HA ALA A 57 30.135 -15.702 -33.517 1.00 0.00 H new ATOM 0 HB1 ALA A 57 30.503 -17.025 -31.452 1.00 0.00 H new ATOM 0 HB2 ALA A 57 31.733 -17.407 -32.681 1.00 0.00 H new ATOM 0 HB3 ALA A 57 32.144 -16.350 -31.310 1.00 0.00 H new ATOM 824 N MET A 58 30.570 -13.082 -32.226 1.00 0.00 N ATOM 825 CA MET A 58 30.088 -11.987 -31.334 1.00 0.00 C ATOM 826 C MET A 58 28.832 -11.335 -31.942 1.00 0.00 C ATOM 827 O MET A 58 28.731 -11.196 -33.144 1.00 0.00 O ATOM 828 CB MET A 58 31.192 -10.943 -31.171 1.00 0.00 C ATOM 829 CG MET A 58 30.730 -9.873 -30.191 1.00 0.00 C ATOM 830 SD MET A 58 32.027 -8.636 -29.977 1.00 0.00 S ATOM 831 CE MET A 58 31.019 -7.450 -29.059 1.00 0.00 C ATOM 0 H MET A 58 31.015 -12.776 -33.091 1.00 0.00 H new ATOM 0 HA MET A 58 29.834 -12.398 -30.357 1.00 0.00 H new ATOM 0 HB2 MET A 58 32.105 -11.415 -30.808 1.00 0.00 H new ATOM 0 HB3 MET A 58 31.428 -10.492 -32.135 1.00 0.00 H new ATOM 0 HG2 MET A 58 29.820 -9.399 -30.559 1.00 0.00 H new ATOM 0 HG3 MET A 58 30.487 -10.328 -29.231 1.00 0.00 H new ATOM 0 HE1 MET A 58 31.582 -6.527 -28.917 1.00 0.00 H new ATOM 0 HE2 MET A 58 30.108 -7.237 -29.618 1.00 0.00 H new ATOM 0 HE3 MET A 58 30.759 -7.869 -28.087 1.00 0.00 H new ATOM 841 N PRO A 59 27.898 -10.986 -31.085 1.00 0.00 N ATOM 842 CA PRO A 59 26.614 -10.373 -31.491 1.00 0.00 C ATOM 843 C PRO A 59 26.682 -8.845 -31.671 1.00 0.00 C ATOM 844 O PRO A 59 26.573 -8.112 -30.709 1.00 0.00 O ATOM 845 CB PRO A 59 25.697 -10.685 -30.306 1.00 0.00 C ATOM 846 CG PRO A 59 26.611 -10.925 -29.087 1.00 0.00 C ATOM 847 CD PRO A 59 28.022 -11.196 -29.627 1.00 0.00 C ATOM 0 HA PRO A 59 26.290 -10.761 -32.457 1.00 0.00 H new ATOM 0 HB2 PRO A 59 25.012 -9.858 -30.119 1.00 0.00 H new ATOM 0 HB3 PRO A 59 25.086 -11.564 -30.511 1.00 0.00 H new ATOM 0 HG2 PRO A 59 26.611 -10.056 -28.429 1.00 0.00 H new ATOM 0 HG3 PRO A 59 26.255 -11.771 -28.499 1.00 0.00 H new ATOM 0 HD2 PRO A 59 28.754 -10.518 -29.188 1.00 0.00 H new ATOM 0 HD3 PRO A 59 28.349 -12.210 -29.397 1.00 0.00 H new ATOM 855 N ALA A 60 26.810 -8.355 -32.889 1.00 0.00 N ATOM 856 CA ALA A 60 26.814 -6.879 -33.110 1.00 0.00 C ATOM 857 C ALA A 60 25.820 -6.206 -32.165 1.00 0.00 C ATOM 858 O ALA A 60 24.896 -6.828 -31.682 1.00 0.00 O ATOM 859 CB ALA A 60 26.365 -6.607 -34.541 1.00 0.00 C ATOM 0 H ALA A 60 26.911 -8.919 -33.733 1.00 0.00 H new ATOM 0 HA ALA A 60 27.815 -6.488 -32.928 1.00 0.00 H new ATOM 0 HB1 ALA A 60 26.361 -5.532 -34.723 1.00 0.00 H new ATOM 0 HB2 ALA A 60 27.052 -7.090 -35.236 1.00 0.00 H new ATOM 0 HB3 ALA A 60 25.361 -7.004 -34.689 1.00 0.00 H new ATOM 865 N PHE A 61 25.987 -4.937 -31.910 1.00 0.00 N ATOM 866 CA PHE A 61 25.041 -4.242 -31.015 1.00 0.00 C ATOM 867 C PHE A 61 24.681 -2.881 -31.584 1.00 0.00 C ATOM 868 O PHE A 61 24.244 -1.997 -30.876 1.00 0.00 O ATOM 869 CB PHE A 61 25.649 -4.075 -29.631 1.00 0.00 C ATOM 870 CG PHE A 61 25.716 -5.415 -28.946 1.00 0.00 C ATOM 871 CD1 PHE A 61 24.725 -6.381 -29.171 1.00 0.00 C ATOM 872 CD2 PHE A 61 26.767 -5.684 -28.073 1.00 0.00 C ATOM 873 CE1 PHE A 61 24.793 -7.613 -28.513 1.00 0.00 C ATOM 874 CE2 PHE A 61 26.839 -6.916 -27.419 1.00 0.00 C ATOM 875 CZ PHE A 61 25.851 -7.881 -27.636 1.00 0.00 C ATOM 0 H PHE A 61 26.739 -4.359 -32.286 1.00 0.00 H new ATOM 0 HA PHE A 61 24.136 -4.845 -30.935 1.00 0.00 H new ATOM 0 HB2 PHE A 61 26.647 -3.645 -29.710 1.00 0.00 H new ATOM 0 HB3 PHE A 61 25.050 -3.382 -29.040 1.00 0.00 H new ATOM 0 HD1 PHE A 61 23.911 -6.174 -29.851 1.00 0.00 H new ATOM 0 HD2 PHE A 61 27.529 -4.938 -27.901 1.00 0.00 H new ATOM 0 HE1 PHE A 61 24.029 -8.358 -28.681 1.00 0.00 H new ATOM 0 HE2 PHE A 61 27.658 -7.123 -26.746 1.00 0.00 H new ATOM 0 HZ PHE A 61 25.904 -8.832 -27.128 1.00 0.00 H new ATOM 885 N ALA A 62 24.833 -2.709 -32.862 1.00 0.00 N ATOM 886 CA ALA A 62 24.467 -1.415 -33.474 1.00 0.00 C ATOM 887 C ALA A 62 22.961 -1.174 -33.291 1.00 0.00 C ATOM 888 O ALA A 62 22.449 -0.130 -33.640 1.00 0.00 O ATOM 889 CB ALA A 62 24.804 -1.439 -34.966 1.00 0.00 C ATOM 0 H ALA A 62 25.195 -3.411 -33.508 1.00 0.00 H new ATOM 0 HA ALA A 62 25.026 -0.613 -32.992 1.00 0.00 H new ATOM 0 HB1 ALA A 62 24.533 -0.484 -35.416 1.00 0.00 H new ATOM 0 HB2 ALA A 62 25.873 -1.611 -35.095 1.00 0.00 H new ATOM 0 HB3 ALA A 62 24.247 -2.240 -35.452 1.00 0.00 H new ATOM 895 N GLY A 63 22.240 -2.134 -32.750 1.00 0.00 N ATOM 896 CA GLY A 63 20.781 -1.952 -32.559 1.00 0.00 C ATOM 897 C GLY A 63 20.348 -2.766 -31.350 1.00 0.00 C ATOM 898 O GLY A 63 19.185 -3.067 -31.171 1.00 0.00 O ATOM 0 H GLY A 63 22.609 -3.032 -32.436 1.00 0.00 H new ATOM 0 HA2 GLY A 63 20.547 -0.898 -32.410 1.00 0.00 H new ATOM 0 HA3 GLY A 63 20.239 -2.276 -33.448 1.00 0.00 H new ATOM 902 N ARG A 64 21.285 -3.159 -30.543 1.00 0.00 N ATOM 903 CA ARG A 64 20.959 -3.989 -29.376 1.00 0.00 C ATOM 904 C ARG A 64 21.131 -3.121 -28.155 1.00 0.00 C ATOM 905 O ARG A 64 20.232 -2.913 -27.364 1.00 0.00 O ATOM 906 CB ARG A 64 21.959 -5.140 -29.333 1.00 0.00 C ATOM 907 CG ARG A 64 21.231 -6.449 -29.034 1.00 0.00 C ATOM 908 CD ARG A 64 20.344 -6.252 -27.813 1.00 0.00 C ATOM 909 NE ARG A 64 19.267 -7.283 -27.805 1.00 0.00 N ATOM 910 CZ ARG A 64 19.454 -8.416 -27.185 1.00 0.00 C ATOM 911 NH1 ARG A 64 20.286 -9.296 -27.671 1.00 0.00 N ATOM 912 NH2 ARG A 64 18.809 -8.669 -26.080 1.00 0.00 N ATOM 0 H ARG A 64 22.274 -2.934 -30.650 1.00 0.00 H new ATOM 0 HA ARG A 64 19.944 -4.384 -29.420 1.00 0.00 H new ATOM 0 HB2 ARG A 64 22.483 -5.214 -30.286 1.00 0.00 H new ATOM 0 HB3 ARG A 64 22.713 -4.950 -28.569 1.00 0.00 H new ATOM 0 HG2 ARG A 64 20.630 -6.750 -29.892 1.00 0.00 H new ATOM 0 HG3 ARG A 64 21.950 -7.247 -28.852 1.00 0.00 H new ATOM 0 HD2 ARG A 64 20.939 -6.326 -26.903 1.00 0.00 H new ATOM 0 HD3 ARG A 64 19.906 -5.254 -27.827 1.00 0.00 H new ATOM 0 HE ARG A 64 18.385 -7.103 -28.284 1.00 0.00 H new ATOM 0 HH11 ARG A 64 20.790 -9.098 -28.535 1.00 0.00 H new ATOM 0 HH12 ARG A 64 20.432 -10.182 -27.186 1.00 0.00 H new ATOM 0 HH21 ARG A 64 18.158 -7.981 -25.700 1.00 0.00 H new ATOM 0 HH22 ARG A 64 18.955 -9.555 -25.595 1.00 0.00 H new ATOM 926 N LEU A 65 22.302 -2.580 -28.042 1.00 0.00 N ATOM 927 CA LEU A 65 22.612 -1.671 -26.933 1.00 0.00 C ATOM 928 C LEU A 65 21.761 -0.418 -27.120 1.00 0.00 C ATOM 929 O LEU A 65 20.735 -0.441 -27.772 1.00 0.00 O ATOM 930 CB LEU A 65 24.110 -1.344 -27.000 1.00 0.00 C ATOM 931 CG LEU A 65 24.908 -2.418 -26.252 1.00 0.00 C ATOM 932 CD1 LEU A 65 24.351 -3.811 -26.569 1.00 0.00 C ATOM 933 CD2 LEU A 65 26.370 -2.351 -26.684 1.00 0.00 C ATOM 0 H LEU A 65 23.072 -2.738 -28.692 1.00 0.00 H new ATOM 0 HA LEU A 65 22.393 -2.109 -25.959 1.00 0.00 H new ATOM 0 HB2 LEU A 65 24.435 -1.294 -28.039 1.00 0.00 H new ATOM 0 HB3 LEU A 65 24.298 -0.365 -26.560 1.00 0.00 H new ATOM 0 HG LEU A 65 24.827 -2.238 -25.180 1.00 0.00 H new ATOM 0 HD11 LEU A 65 24.927 -4.564 -26.031 1.00 0.00 H new ATOM 0 HD12 LEU A 65 23.307 -3.864 -26.261 1.00 0.00 H new ATOM 0 HD13 LEU A 65 24.423 -3.996 -27.641 1.00 0.00 H new ATOM 0 HD21 LEU A 65 26.941 -3.113 -26.154 1.00 0.00 H new ATOM 0 HD22 LEU A 65 26.441 -2.525 -27.758 1.00 0.00 H new ATOM 0 HD23 LEU A 65 26.774 -1.366 -26.449 1.00 0.00 H new ATOM 945 N THR A 66 22.168 0.662 -26.556 1.00 0.00 N ATOM 946 CA THR A 66 21.385 1.924 -26.689 1.00 0.00 C ATOM 947 C THR A 66 22.020 2.801 -27.774 1.00 0.00 C ATOM 948 O THR A 66 21.388 3.173 -28.742 1.00 0.00 O ATOM 949 CB THR A 66 21.385 2.673 -25.339 1.00 0.00 C ATOM 950 OG1 THR A 66 20.361 2.141 -24.510 1.00 0.00 O ATOM 951 CG2 THR A 66 21.129 4.166 -25.565 1.00 0.00 C ATOM 0 H THR A 66 23.019 0.739 -25.999 1.00 0.00 H new ATOM 0 HA THR A 66 20.357 1.693 -26.969 1.00 0.00 H new ATOM 0 HB THR A 66 22.356 2.547 -24.860 1.00 0.00 H new ATOM 0 HG1 THR A 66 20.358 2.612 -23.651 1.00 0.00 H new ATOM 0 HG21 THR A 66 21.131 4.685 -24.606 1.00 0.00 H new ATOM 0 HG22 THR A 66 21.912 4.577 -26.202 1.00 0.00 H new ATOM 0 HG23 THR A 66 20.161 4.300 -26.048 1.00 0.00 H new ATOM 959 N ASP A 67 23.265 3.135 -27.591 1.00 0.00 N ATOM 960 CA ASP A 67 23.998 4.002 -28.558 1.00 0.00 C ATOM 961 C ASP A 67 25.093 4.697 -27.763 1.00 0.00 C ATOM 962 O ASP A 67 26.268 4.604 -28.063 1.00 0.00 O ATOM 963 CB ASP A 67 23.053 5.047 -29.155 1.00 0.00 C ATOM 964 CG ASP A 67 22.579 4.580 -30.533 1.00 0.00 C ATOM 965 OD1 ASP A 67 22.715 3.400 -30.816 1.00 0.00 O ATOM 966 OD2 ASP A 67 22.087 5.409 -31.281 1.00 0.00 O ATOM 0 H ASP A 67 23.821 2.836 -26.790 1.00 0.00 H new ATOM 0 HA ASP A 67 24.408 3.414 -29.380 1.00 0.00 H new ATOM 0 HB2 ASP A 67 22.198 5.197 -28.496 1.00 0.00 H new ATOM 0 HB3 ASP A 67 23.562 6.007 -29.240 1.00 0.00 H new ATOM 971 N GLU A 68 24.700 5.345 -26.701 1.00 0.00 N ATOM 972 CA GLU A 68 25.680 6.016 -25.807 1.00 0.00 C ATOM 973 C GLU A 68 26.500 4.943 -25.086 1.00 0.00 C ATOM 974 O GLU A 68 27.417 5.240 -24.352 1.00 0.00 O ATOM 975 CB GLU A 68 24.912 6.826 -24.768 1.00 0.00 C ATOM 976 CG GLU A 68 24.118 7.925 -25.470 1.00 0.00 C ATOM 977 CD GLU A 68 22.677 7.920 -24.956 1.00 0.00 C ATOM 978 OE1 GLU A 68 22.495 7.735 -23.764 1.00 0.00 O ATOM 979 OE2 GLU A 68 21.781 8.101 -25.764 1.00 0.00 O ATOM 0 H GLU A 68 23.726 5.438 -26.412 1.00 0.00 H new ATOM 0 HA GLU A 68 26.337 6.667 -26.384 1.00 0.00 H new ATOM 0 HB2 GLU A 68 24.239 6.176 -24.209 1.00 0.00 H new ATOM 0 HB3 GLU A 68 25.603 7.264 -24.048 1.00 0.00 H new ATOM 0 HG2 GLU A 68 24.578 8.896 -25.285 1.00 0.00 H new ATOM 0 HG3 GLU A 68 24.131 7.766 -26.548 1.00 0.00 H new ATOM 986 N GLN A 69 26.164 3.702 -25.306 1.00 0.00 N ATOM 987 CA GLN A 69 26.884 2.573 -24.666 1.00 0.00 C ATOM 988 C GLN A 69 27.625 1.839 -25.763 1.00 0.00 C ATOM 989 O GLN A 69 28.677 1.284 -25.553 1.00 0.00 O ATOM 990 CB GLN A 69 25.913 1.646 -23.951 1.00 0.00 C ATOM 991 CG GLN A 69 24.515 2.273 -23.910 1.00 0.00 C ATOM 992 CD GLN A 69 24.554 3.648 -23.219 1.00 0.00 C ATOM 993 OE1 GLN A 69 23.570 4.361 -23.233 1.00 0.00 O ATOM 994 NE2 GLN A 69 25.643 4.066 -22.617 1.00 0.00 N ATOM 0 H GLN A 69 25.400 3.420 -25.920 1.00 0.00 H new ATOM 0 HA GLN A 69 27.581 2.940 -23.912 1.00 0.00 H new ATOM 0 HB2 GLN A 69 25.873 0.684 -24.463 1.00 0.00 H new ATOM 0 HB3 GLN A 69 26.263 1.453 -22.937 1.00 0.00 H new ATOM 0 HG2 GLN A 69 24.130 2.381 -24.924 1.00 0.00 H new ATOM 0 HG3 GLN A 69 23.830 1.613 -23.378 1.00 0.00 H new ATOM 0 HE21 GLN A 69 26.475 3.476 -22.599 1.00 0.00 H new ATOM 0 HE22 GLN A 69 25.658 4.981 -22.167 1.00 0.00 H new ATOM 1003 N ILE A 70 27.154 1.919 -26.976 1.00 0.00 N ATOM 1004 CA ILE A 70 27.961 1.319 -28.061 1.00 0.00 C ATOM 1005 C ILE A 70 29.307 2.039 -27.949 1.00 0.00 C ATOM 1006 O ILE A 70 30.347 1.562 -28.358 1.00 0.00 O ATOM 1007 CB ILE A 70 27.327 1.609 -29.424 1.00 0.00 C ATOM 1008 CG1 ILE A 70 26.122 0.692 -29.637 1.00 0.00 C ATOM 1009 CG2 ILE A 70 28.356 1.359 -30.528 1.00 0.00 C ATOM 1010 CD1 ILE A 70 26.599 -0.757 -29.719 1.00 0.00 C ATOM 0 H ILE A 70 26.276 2.358 -27.253 1.00 0.00 H new ATOM 0 HA ILE A 70 28.043 0.235 -27.976 1.00 0.00 H new ATOM 0 HB ILE A 70 27.001 2.649 -29.456 1.00 0.00 H new ATOM 0 HG12 ILE A 70 25.413 0.808 -28.817 1.00 0.00 H new ATOM 0 HG13 ILE A 70 25.598 0.967 -30.553 1.00 0.00 H new ATOM 0 HG21 ILE A 70 27.905 1.565 -31.499 1.00 0.00 H new ATOM 0 HG22 ILE A 70 29.215 2.014 -30.380 1.00 0.00 H new ATOM 0 HG23 ILE A 70 28.682 0.320 -30.493 1.00 0.00 H new ATOM 0 HD11 ILE A 70 25.743 -1.414 -29.871 1.00 0.00 H new ATOM 0 HD12 ILE A 70 27.292 -0.865 -30.553 1.00 0.00 H new ATOM 0 HD13 ILE A 70 27.103 -1.027 -28.791 1.00 0.00 H new ATOM 1022 N GLN A 71 29.243 3.210 -27.355 1.00 0.00 N ATOM 1023 CA GLN A 71 30.412 4.061 -27.123 1.00 0.00 C ATOM 1024 C GLN A 71 30.935 3.835 -25.703 1.00 0.00 C ATOM 1025 O GLN A 71 31.989 3.278 -25.490 1.00 0.00 O ATOM 1026 CB GLN A 71 29.920 5.494 -27.224 1.00 0.00 C ATOM 1027 CG GLN A 71 30.066 5.994 -28.660 1.00 0.00 C ATOM 1028 CD GLN A 71 29.228 5.121 -29.594 1.00 0.00 C ATOM 1029 OE1 GLN A 71 29.751 4.259 -30.272 1.00 0.00 O ATOM 1030 NE2 GLN A 71 27.940 5.310 -29.657 1.00 0.00 N ATOM 0 H GLN A 71 28.371 3.612 -27.011 1.00 0.00 H new ATOM 0 HA GLN A 71 31.205 3.843 -27.838 1.00 0.00 H new ATOM 0 HB2 GLN A 71 28.877 5.552 -26.914 1.00 0.00 H new ATOM 0 HB3 GLN A 71 30.490 6.132 -26.548 1.00 0.00 H new ATOM 0 HG2 GLN A 71 29.743 7.033 -28.729 1.00 0.00 H new ATOM 0 HG3 GLN A 71 31.113 5.966 -28.961 1.00 0.00 H new ATOM 0 HE21 GLN A 71 27.502 6.034 -29.087 1.00 0.00 H new ATOM 0 HE22 GLN A 71 27.370 4.734 -30.276 1.00 0.00 H new ATOM 1039 N ASP A 72 30.189 4.292 -24.734 1.00 0.00 N ATOM 1040 CA ASP A 72 30.590 4.146 -23.310 1.00 0.00 C ATOM 1041 C ASP A 72 31.099 2.735 -23.054 1.00 0.00 C ATOM 1042 O ASP A 72 32.104 2.547 -22.421 1.00 0.00 O ATOM 1043 CB ASP A 72 29.371 4.398 -22.426 1.00 0.00 C ATOM 1044 CG ASP A 72 29.355 5.862 -21.981 1.00 0.00 C ATOM 1045 OD1 ASP A 72 30.418 6.379 -21.676 1.00 0.00 O ATOM 1046 OD2 ASP A 72 28.281 6.440 -21.949 1.00 0.00 O ATOM 0 H ASP A 72 29.299 4.771 -24.876 1.00 0.00 H new ATOM 0 HA ASP A 72 31.380 4.861 -23.083 1.00 0.00 H new ATOM 0 HB2 ASP A 72 28.458 4.163 -22.973 1.00 0.00 H new ATOM 0 HB3 ASP A 72 29.399 3.743 -21.555 1.00 0.00 H new ATOM 1051 N VAL A 73 30.385 1.753 -23.527 1.00 0.00 N ATOM 1052 CA VAL A 73 30.781 0.331 -23.321 1.00 0.00 C ATOM 1053 C VAL A 73 32.143 0.062 -23.986 1.00 0.00 C ATOM 1054 O VAL A 73 32.960 -0.679 -23.484 1.00 0.00 O ATOM 1055 CB VAL A 73 29.703 -0.577 -23.935 1.00 0.00 C ATOM 1056 CG1 VAL A 73 30.018 -0.879 -25.407 1.00 0.00 C ATOM 1057 CG2 VAL A 73 29.650 -1.885 -23.158 1.00 0.00 C ATOM 0 H VAL A 73 29.524 1.879 -24.060 1.00 0.00 H new ATOM 0 HA VAL A 73 30.871 0.123 -22.255 1.00 0.00 H new ATOM 0 HB VAL A 73 28.743 -0.064 -23.881 1.00 0.00 H new ATOM 0 HG11 VAL A 73 29.242 -1.523 -25.820 1.00 0.00 H new ATOM 0 HG12 VAL A 73 30.054 0.054 -25.970 1.00 0.00 H new ATOM 0 HG13 VAL A 73 30.982 -1.382 -25.477 1.00 0.00 H new ATOM 0 HG21 VAL A 73 28.887 -2.533 -23.589 1.00 0.00 H new ATOM 0 HG22 VAL A 73 30.620 -2.380 -23.212 1.00 0.00 H new ATOM 0 HG23 VAL A 73 29.405 -1.679 -22.116 1.00 0.00 H new ATOM 1067 N ALA A 74 32.401 0.651 -25.114 1.00 0.00 N ATOM 1068 CA ALA A 74 33.721 0.414 -25.754 1.00 0.00 C ATOM 1069 C ALA A 74 34.762 1.055 -24.849 1.00 0.00 C ATOM 1070 O ALA A 74 35.601 0.394 -24.260 1.00 0.00 O ATOM 1071 CB ALA A 74 33.758 1.061 -27.136 1.00 0.00 C ATOM 0 H ALA A 74 31.769 1.276 -25.615 1.00 0.00 H new ATOM 0 HA ALA A 74 33.912 -0.652 -25.882 1.00 0.00 H new ATOM 0 HB1 ALA A 74 34.730 0.881 -27.596 1.00 0.00 H new ATOM 0 HB2 ALA A 74 32.976 0.630 -27.761 1.00 0.00 H new ATOM 0 HB3 ALA A 74 33.595 2.134 -27.040 1.00 0.00 H new ATOM 1077 N ALA A 75 34.667 2.341 -24.679 1.00 0.00 N ATOM 1078 CA ALA A 75 35.588 3.036 -23.758 1.00 0.00 C ATOM 1079 C ALA A 75 35.435 2.376 -22.384 1.00 0.00 C ATOM 1080 O ALA A 75 36.291 2.475 -21.527 1.00 0.00 O ATOM 1081 CB ALA A 75 35.184 4.512 -23.674 1.00 0.00 C ATOM 0 H ALA A 75 33.985 2.940 -25.144 1.00 0.00 H new ATOM 0 HA ALA A 75 36.621 2.972 -24.101 1.00 0.00 H new ATOM 0 HB1 ALA A 75 35.858 5.036 -22.996 1.00 0.00 H new ATOM 0 HB2 ALA A 75 35.244 4.963 -24.665 1.00 0.00 H new ATOM 0 HB3 ALA A 75 34.163 4.589 -23.301 1.00 0.00 H new ATOM 1087 N TYR A 76 34.340 1.678 -22.190 1.00 0.00 N ATOM 1088 CA TYR A 76 34.095 0.985 -20.895 1.00 0.00 C ATOM 1089 C TYR A 76 35.109 -0.125 -20.751 1.00 0.00 C ATOM 1090 O TYR A 76 35.684 -0.315 -19.711 1.00 0.00 O ATOM 1091 CB TYR A 76 32.687 0.368 -20.882 1.00 0.00 C ATOM 1092 CG TYR A 76 32.469 -0.383 -19.604 1.00 0.00 C ATOM 1093 CD1 TYR A 76 31.977 0.285 -18.520 1.00 0.00 C ATOM 1094 CD2 TYR A 76 32.754 -1.742 -19.510 1.00 0.00 C ATOM 1095 CE1 TYR A 76 31.759 -0.374 -17.326 1.00 0.00 C ATOM 1096 CE2 TYR A 76 32.535 -2.418 -18.302 1.00 0.00 C ATOM 1097 CZ TYR A 76 32.037 -1.728 -17.208 1.00 0.00 C ATOM 1098 OH TYR A 76 31.818 -2.382 -16.013 1.00 0.00 O ATOM 0 H TYR A 76 33.602 1.561 -22.884 1.00 0.00 H new ATOM 0 HA TYR A 76 34.180 1.701 -20.078 1.00 0.00 H new ATOM 0 HB2 TYR A 76 31.937 1.152 -20.986 1.00 0.00 H new ATOM 0 HB3 TYR A 76 32.567 -0.303 -21.733 1.00 0.00 H new ATOM 0 HD1 TYR A 76 31.756 1.339 -18.597 1.00 0.00 H new ATOM 0 HD2 TYR A 76 33.143 -2.274 -20.366 1.00 0.00 H new ATOM 0 HE1 TYR A 76 31.369 0.169 -16.478 1.00 0.00 H new ATOM 0 HE2 TYR A 76 32.754 -3.473 -18.224 1.00 0.00 H new ATOM 0 HH TYR A 76 32.065 -3.326 -16.107 1.00 0.00 H new ATOM 1108 N VAL A 77 35.329 -0.862 -21.794 1.00 0.00 N ATOM 1109 CA VAL A 77 36.308 -1.960 -21.717 1.00 0.00 C ATOM 1110 C VAL A 77 37.704 -1.363 -21.640 1.00 0.00 C ATOM 1111 O VAL A 77 38.639 -1.998 -21.192 1.00 0.00 O ATOM 1112 CB VAL A 77 36.171 -2.857 -22.950 1.00 0.00 C ATOM 1113 CG1 VAL A 77 37.268 -3.921 -22.934 1.00 0.00 C ATOM 1114 CG2 VAL A 77 34.797 -3.535 -22.931 1.00 0.00 C ATOM 0 H VAL A 77 34.870 -0.748 -22.698 1.00 0.00 H new ATOM 0 HA VAL A 77 36.128 -2.567 -20.830 1.00 0.00 H new ATOM 0 HB VAL A 77 36.268 -2.254 -23.853 1.00 0.00 H new ATOM 0 HG11 VAL A 77 37.169 -4.559 -23.812 1.00 0.00 H new ATOM 0 HG12 VAL A 77 38.245 -3.437 -22.945 1.00 0.00 H new ATOM 0 HG13 VAL A 77 37.174 -4.527 -22.033 1.00 0.00 H new ATOM 0 HG21 VAL A 77 34.695 -4.175 -23.807 1.00 0.00 H new ATOM 0 HG22 VAL A 77 34.701 -4.138 -22.028 1.00 0.00 H new ATOM 0 HG23 VAL A 77 34.016 -2.775 -22.944 1.00 0.00 H new ATOM 1124 N LEU A 78 37.850 -0.132 -22.041 1.00 0.00 N ATOM 1125 CA LEU A 78 39.186 0.503 -21.951 1.00 0.00 C ATOM 1126 C LEU A 78 39.357 1.065 -20.536 1.00 0.00 C ATOM 1127 O LEU A 78 40.427 1.495 -20.150 1.00 0.00 O ATOM 1128 CB LEU A 78 39.297 1.634 -22.978 1.00 0.00 C ATOM 1129 CG LEU A 78 38.534 1.261 -24.256 1.00 0.00 C ATOM 1130 CD1 LEU A 78 38.951 2.205 -25.387 1.00 0.00 C ATOM 1131 CD2 LEU A 78 38.854 -0.179 -24.653 1.00 0.00 C ATOM 0 H LEU A 78 37.108 0.454 -22.423 1.00 0.00 H new ATOM 0 HA LEU A 78 39.964 -0.231 -22.160 1.00 0.00 H new ATOM 0 HB2 LEU A 78 38.894 2.556 -22.560 1.00 0.00 H new ATOM 0 HB3 LEU A 78 40.345 1.822 -23.212 1.00 0.00 H new ATOM 0 HG LEU A 78 37.463 1.352 -24.075 1.00 0.00 H new ATOM 0 HD11 LEU A 78 38.411 1.943 -26.297 1.00 0.00 H new ATOM 0 HD12 LEU A 78 38.716 3.232 -25.109 1.00 0.00 H new ATOM 0 HD13 LEU A 78 40.023 2.112 -25.562 1.00 0.00 H new ATOM 0 HD21 LEU A 78 38.308 -0.436 -25.561 1.00 0.00 H new ATOM 0 HD22 LEU A 78 39.925 -0.278 -24.833 1.00 0.00 H new ATOM 0 HD23 LEU A 78 38.558 -0.853 -23.849 1.00 0.00 H new ATOM 1143 N ASP A 79 38.300 1.074 -19.761 1.00 0.00 N ATOM 1144 CA ASP A 79 38.366 1.604 -18.392 1.00 0.00 C ATOM 1145 C ASP A 79 38.508 0.437 -17.426 1.00 0.00 C ATOM 1146 O ASP A 79 39.314 0.444 -16.516 1.00 0.00 O ATOM 1147 CB ASP A 79 37.053 2.325 -18.109 1.00 0.00 C ATOM 1148 CG ASP A 79 37.314 3.546 -17.225 1.00 0.00 C ATOM 1149 OD1 ASP A 79 38.467 3.796 -16.919 1.00 0.00 O ATOM 1150 OD2 ASP A 79 36.354 4.209 -16.867 1.00 0.00 O ATOM 0 H ASP A 79 37.382 0.726 -20.039 1.00 0.00 H new ATOM 0 HA ASP A 79 39.210 2.284 -18.277 1.00 0.00 H new ATOM 0 HB2 ASP A 79 36.588 2.635 -19.045 1.00 0.00 H new ATOM 0 HB3 ASP A 79 36.355 1.649 -17.615 1.00 0.00 H new ATOM 1155 N GLN A 80 37.709 -0.568 -17.637 1.00 0.00 N ATOM 1156 CA GLN A 80 37.738 -1.766 -16.773 1.00 0.00 C ATOM 1157 C GLN A 80 39.080 -2.473 -16.945 1.00 0.00 C ATOM 1158 O GLN A 80 39.748 -2.806 -15.986 1.00 0.00 O ATOM 1159 CB GLN A 80 36.632 -2.737 -17.205 1.00 0.00 C ATOM 1160 CG GLN A 80 35.287 -2.042 -17.489 1.00 0.00 C ATOM 1161 CD GLN A 80 35.206 -0.662 -16.845 1.00 0.00 C ATOM 1162 OE1 GLN A 80 34.802 0.292 -17.477 1.00 0.00 O ATOM 1163 NE2 GLN A 80 35.568 -0.517 -15.611 1.00 0.00 N ATOM 0 H GLN A 80 37.023 -0.605 -18.391 1.00 0.00 H new ATOM 0 HA GLN A 80 37.591 -1.464 -15.736 1.00 0.00 H new ATOM 0 HB2 GLN A 80 36.954 -3.269 -18.100 1.00 0.00 H new ATOM 0 HB3 GLN A 80 36.489 -3.484 -16.425 1.00 0.00 H new ATOM 0 HG2 GLN A 80 35.149 -1.947 -18.566 1.00 0.00 H new ATOM 0 HG3 GLN A 80 34.473 -2.664 -17.117 1.00 0.00 H new ATOM 0 HE21 GLN A 80 35.907 -1.320 -15.081 1.00 0.00 H new ATOM 0 HE22 GLN A 80 35.514 0.400 -15.168 1.00 0.00 H new ATOM 1172 N ALA A 81 39.471 -2.714 -18.166 1.00 0.00 N ATOM 1173 CA ALA A 81 40.764 -3.410 -18.409 1.00 0.00 C ATOM 1174 C ALA A 81 41.914 -2.444 -18.135 1.00 0.00 C ATOM 1175 O ALA A 81 43.061 -2.833 -18.057 1.00 0.00 O ATOM 1176 CB ALA A 81 40.825 -3.880 -19.863 1.00 0.00 C ATOM 0 H ALA A 81 38.951 -2.459 -19.005 1.00 0.00 H new ATOM 0 HA ALA A 81 40.846 -4.273 -17.748 1.00 0.00 H new ATOM 0 HB1 ALA A 81 41.772 -4.390 -20.041 1.00 0.00 H new ATOM 0 HB2 ALA A 81 40.001 -4.566 -20.058 1.00 0.00 H new ATOM 0 HB3 ALA A 81 40.746 -3.019 -20.527 1.00 0.00 H new ATOM 1182 N ALA A 82 41.611 -1.187 -17.994 1.00 0.00 N ATOM 1183 CA ALA A 82 42.673 -0.189 -17.732 1.00 0.00 C ATOM 1184 C ALA A 82 43.314 -0.452 -16.368 1.00 0.00 C ATOM 1185 O ALA A 82 44.296 0.167 -16.011 1.00 0.00 O ATOM 1186 CB ALA A 82 42.067 1.216 -17.753 1.00 0.00 C ATOM 0 H ALA A 82 40.666 -0.808 -18.050 1.00 0.00 H new ATOM 0 HA ALA A 82 43.438 -0.269 -18.504 1.00 0.00 H new ATOM 0 HB1 ALA A 82 42.848 1.952 -17.560 1.00 0.00 H new ATOM 0 HB2 ALA A 82 41.622 1.406 -18.730 1.00 0.00 H new ATOM 0 HB3 ALA A 82 41.299 1.292 -16.984 1.00 0.00 H new ATOM 1192 N LYS A 83 42.776 -1.361 -15.592 1.00 0.00 N ATOM 1193 CA LYS A 83 43.390 -1.623 -14.260 1.00 0.00 C ATOM 1194 C LYS A 83 42.636 -2.711 -13.496 1.00 0.00 C ATOM 1195 O LYS A 83 42.122 -2.470 -12.421 1.00 0.00 O ATOM 1196 CB LYS A 83 43.348 -0.344 -13.436 1.00 0.00 C ATOM 1197 CG LYS A 83 41.898 0.133 -13.319 1.00 0.00 C ATOM 1198 CD LYS A 83 41.681 1.338 -14.237 1.00 0.00 C ATOM 1199 CE LYS A 83 41.090 2.495 -13.429 1.00 0.00 C ATOM 1200 NZ LYS A 83 39.658 2.678 -13.798 1.00 0.00 N ATOM 0 H LYS A 83 41.955 -1.921 -15.819 1.00 0.00 H new ATOM 0 HA LYS A 83 44.415 -1.957 -14.422 1.00 0.00 H new ATOM 0 HB2 LYS A 83 43.766 -0.522 -12.445 1.00 0.00 H new ATOM 0 HB3 LYS A 83 43.960 0.426 -13.906 1.00 0.00 H new ATOM 0 HG2 LYS A 83 41.216 -0.672 -13.591 1.00 0.00 H new ATOM 0 HG3 LYS A 83 41.675 0.404 -12.287 1.00 0.00 H new ATOM 0 HD2 LYS A 83 42.626 1.640 -14.687 1.00 0.00 H new ATOM 0 HD3 LYS A 83 41.010 1.071 -15.053 1.00 0.00 H new ATOM 0 HE2 LYS A 83 41.178 2.290 -12.362 1.00 0.00 H new ATOM 0 HE3 LYS A 83 41.647 3.411 -13.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 39.256 3.464 -13.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 39.586 2.892 -14.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 39.132 1.806 -13.590 1.00 0.00 H new ATOM 1214 N GLY A 84 42.572 -3.904 -14.011 1.00 0.00 N ATOM 1215 CA GLY A 84 41.863 -4.973 -13.265 1.00 0.00 C ATOM 1216 C GLY A 84 40.398 -5.000 -13.677 1.00 0.00 C ATOM 1217 O GLY A 84 39.537 -4.547 -12.959 1.00 0.00 O ATOM 0 H GLY A 84 42.975 -4.182 -14.906 1.00 0.00 H new ATOM 0 HA2 GLY A 84 42.326 -5.939 -13.467 1.00 0.00 H new ATOM 0 HA3 GLY A 84 41.946 -4.798 -12.192 1.00 0.00 H new ATOM 1221 N TRP A 85 40.132 -5.531 -14.835 1.00 0.00 N ATOM 1222 CA TRP A 85 38.732 -5.627 -15.354 1.00 0.00 C ATOM 1223 C TRP A 85 37.763 -5.998 -14.224 1.00 0.00 C ATOM 1224 O TRP A 85 37.429 -7.152 -14.037 1.00 0.00 O ATOM 1225 CB TRP A 85 38.670 -6.715 -16.430 1.00 0.00 C ATOM 1226 CG TRP A 85 38.206 -6.131 -17.719 1.00 0.00 C ATOM 1227 CD1 TRP A 85 38.955 -5.994 -18.837 1.00 0.00 C ATOM 1228 CD2 TRP A 85 36.899 -5.600 -18.039 1.00 0.00 C ATOM 1229 NE1 TRP A 85 38.178 -5.415 -19.823 1.00 0.00 N ATOM 1230 CE2 TRP A 85 36.901 -5.152 -19.376 1.00 0.00 C ATOM 1231 CE3 TRP A 85 35.726 -5.468 -17.299 1.00 0.00 C ATOM 1232 CZ2 TRP A 85 35.769 -4.586 -19.958 1.00 0.00 C ATOM 1233 CZ3 TRP A 85 34.584 -4.893 -17.877 1.00 0.00 C ATOM 1234 CH2 TRP A 85 34.601 -4.452 -19.205 1.00 0.00 C ATOM 0 H TRP A 85 40.840 -5.913 -15.462 1.00 0.00 H new ATOM 0 HA TRP A 85 38.445 -4.661 -15.768 1.00 0.00 H new ATOM 0 HB2 TRP A 85 39.654 -7.167 -16.559 1.00 0.00 H new ATOM 0 HB3 TRP A 85 37.993 -7.510 -16.117 1.00 0.00 H new ATOM 0 HD1 TRP A 85 39.989 -6.288 -18.942 1.00 0.00 H new ATOM 0 HE1 TRP A 85 38.509 -5.208 -20.765 1.00 0.00 H new ATOM 0 HE3 TRP A 85 35.696 -5.810 -16.275 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 35.795 -4.253 -20.985 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 33.683 -4.790 -17.291 1.00 0.00 H new ATOM 0 HH2 TRP A 85 33.718 -4.012 -19.644 1.00 0.00 H new ATOM 1245 N ALA A 86 37.315 -5.031 -13.474 1.00 0.00 N ATOM 1246 CA ALA A 86 36.372 -5.311 -12.353 1.00 0.00 C ATOM 1247 C ALA A 86 36.820 -6.574 -11.624 1.00 0.00 C ATOM 1248 O ALA A 86 36.026 -7.300 -11.058 1.00 0.00 O ATOM 1249 CB ALA A 86 34.958 -5.506 -12.905 1.00 0.00 C ATOM 0 H ALA A 86 37.564 -4.049 -13.590 1.00 0.00 H new ATOM 0 HA ALA A 86 36.370 -4.471 -11.659 1.00 0.00 H new ATOM 0 HB1 ALA A 86 34.272 -5.710 -12.083 1.00 0.00 H new ATOM 0 HB2 ALA A 86 34.642 -4.601 -13.425 1.00 0.00 H new ATOM 0 HB3 ALA A 86 34.951 -6.345 -13.600 1.00 0.00 H new