USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 572 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 16 HIS : no HE2:sc= -1.93 X(o=-1.4,f=-1.2) USER MOD Set 1.2: A 27 TYR OH : rot 166:sc= 0.485 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -6.93! C(o=-6.9!,f=-9.9!) USER MOD Single : A 10 LYS NZ :NH3+ -166:sc= -4.55! (180deg=-4.69!) USER MOD Single : A 12 CYS SG : rot 180:sc= -2.55! USER MOD Single : A 13 MET CE :methyl 142:sc= -0.706! (180deg=-3.21!) USER MOD Single : A 15 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 140:sc= -4.72! USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl 176:sc= -2.61! (180deg=-2.71!) USER MOD Single : A 28 LYS NZ :NH3+ -179:sc= -0.0433 (180deg=-0.048) USER MOD Single : A 33 LYS NZ :NH3+ -121:sc= -0.0671 (180deg=-0.479) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 TYR OH : rot 30:sc= 0.268 USER MOD Single : A 46 GLN : amide:sc= -0.208 K(o=-0.21,f=-2.9!) USER MOD Single : A 49 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.083) USER MOD Single : A 50 ASN : amide:sc= -0.188 K(o=-0.19,f=-2.4!) USER MOD Single : A 52 SER OG : rot 180:sc= -0.0785 USER MOD Single : A 53 GLN : amide:sc= -3.52! C(o=-3.5!,f=-7.6!) USER MOD Single : A 61 MET CE :methyl 164:sc= -5.84! (180deg=-7.46!) USER MOD Single : A 64 ASN :FLIP amide:sc= -1.06 F(o=-2.1!,f=-1.1) USER MOD Single : A 67 SER OG : rot -104:sc= 1.18 USER MOD Single : A 72 GLN : amide:sc= -0.506 K(o=-0.51,f=-3.7!) USER MOD Single : A 73 THR OG1 : rot 90:sc= 0.211 USER MOD Single : A 76 LYS NZ :NH3+ -136:sc= -0.321 (180deg=-1.07) USER MOD Single : A 80 SER OG : rot 99:sc= 0.573 USER MOD ----------------------------------------------------------------- ATOM 30 N PRO A 3 66.596 12.652 2.585 1.00 0.00 N ATOM 31 CA PRO A 3 66.687 11.261 2.083 1.00 0.00 C ATOM 32 C PRO A 3 65.672 11.034 0.964 1.00 0.00 C ATOM 33 O PRO A 3 65.945 10.359 -0.009 1.00 0.00 O ATOM 34 CB PRO A 3 66.343 10.432 3.324 1.00 0.00 C ATOM 35 CG PRO A 3 66.065 11.390 4.499 1.00 0.00 C ATOM 36 CD PRO A 3 66.246 12.834 4.012 1.00 0.00 C ATOM 0 HA PRO A 3 67.658 11.007 1.657 1.00 0.00 H new ATOM 0 HB2 PRO A 3 65.470 9.808 3.131 1.00 0.00 H new ATOM 0 HB3 PRO A 3 67.166 9.761 3.570 1.00 0.00 H new ATOM 0 HG2 PRO A 3 65.053 11.242 4.875 1.00 0.00 H new ATOM 0 HG3 PRO A 3 66.745 11.182 5.325 1.00 0.00 H new ATOM 0 HD2 PRO A 3 65.335 13.420 4.134 1.00 0.00 H new ATOM 0 HD3 PRO A 3 67.034 13.351 4.560 1.00 0.00 H new ATOM 44 N GLU A 4 64.506 11.600 1.090 1.00 0.00 N ATOM 45 CA GLU A 4 63.479 11.424 0.026 1.00 0.00 C ATOM 46 C GLU A 4 64.078 11.804 -1.329 1.00 0.00 C ATOM 47 O GLU A 4 63.893 11.122 -2.319 1.00 0.00 O ATOM 48 CB GLU A 4 62.343 12.378 0.401 1.00 0.00 C ATOM 49 CG GLU A 4 61.087 12.009 -0.390 1.00 0.00 C ATOM 50 CD GLU A 4 60.383 13.285 -0.854 1.00 0.00 C ATOM 51 OE1 GLU A 4 61.051 14.300 -0.966 1.00 0.00 O ATOM 52 OE2 GLU A 4 59.188 13.225 -1.092 1.00 0.00 O ATOM 0 H GLU A 4 64.219 12.176 1.882 1.00 0.00 H new ATOM 0 HA GLU A 4 63.127 10.395 -0.050 1.00 0.00 H new ATOM 0 HB2 GLU A 4 62.143 12.319 1.471 1.00 0.00 H new ATOM 0 HB3 GLU A 4 62.632 13.407 0.187 1.00 0.00 H new ATOM 0 HG2 GLU A 4 61.353 11.395 -1.250 1.00 0.00 H new ATOM 0 HG3 GLU A 4 60.415 11.415 0.230 1.00 0.00 H new ATOM 59 N VAL A 5 64.808 12.885 -1.377 1.00 0.00 N ATOM 60 CA VAL A 5 65.429 13.302 -2.663 1.00 0.00 C ATOM 61 C VAL A 5 66.257 12.147 -3.226 1.00 0.00 C ATOM 62 O VAL A 5 66.285 11.911 -4.416 1.00 0.00 O ATOM 63 CB VAL A 5 66.325 14.491 -2.313 1.00 0.00 C ATOM 64 CG1 VAL A 5 67.083 14.946 -3.562 1.00 0.00 C ATOM 65 CG2 VAL A 5 65.461 15.646 -1.796 1.00 0.00 C ATOM 0 H VAL A 5 65.000 13.495 -0.582 1.00 0.00 H new ATOM 0 HA VAL A 5 64.690 13.571 -3.418 1.00 0.00 H new ATOM 0 HB VAL A 5 67.037 14.193 -1.543 1.00 0.00 H new ATOM 0 HG11 VAL A 5 67.721 15.793 -3.312 1.00 0.00 H new ATOM 0 HG12 VAL A 5 67.698 14.126 -3.933 1.00 0.00 H new ATOM 0 HG13 VAL A 5 66.371 15.243 -4.332 1.00 0.00 H new ATOM 0 HG21 VAL A 5 66.099 16.494 -1.546 1.00 0.00 H new ATOM 0 HG22 VAL A 5 64.750 15.942 -2.567 1.00 0.00 H new ATOM 0 HG23 VAL A 5 64.919 15.325 -0.906 1.00 0.00 H new ATOM 75 N LEU A 6 66.920 11.417 -2.372 1.00 0.00 N ATOM 76 CA LEU A 6 67.739 10.268 -2.852 1.00 0.00 C ATOM 77 C LEU A 6 66.828 9.204 -3.464 1.00 0.00 C ATOM 78 O LEU A 6 67.171 8.559 -4.436 1.00 0.00 O ATOM 79 CB LEU A 6 68.427 9.713 -1.601 1.00 0.00 C ATOM 80 CG LEU A 6 69.245 10.812 -0.924 1.00 0.00 C ATOM 81 CD1 LEU A 6 69.797 10.289 0.404 1.00 0.00 C ATOM 82 CD2 LEU A 6 70.407 11.218 -1.832 1.00 0.00 C ATOM 0 H LEU A 6 66.930 11.566 -1.363 1.00 0.00 H new ATOM 0 HA LEU A 6 68.459 10.565 -3.615 1.00 0.00 H new ATOM 0 HB2 LEU A 6 67.681 9.324 -0.908 1.00 0.00 H new ATOM 0 HB3 LEU A 6 69.076 8.880 -1.872 1.00 0.00 H new ATOM 0 HG LEU A 6 68.608 11.677 -0.740 1.00 0.00 H new ATOM 0 HD11 LEU A 6 70.381 11.071 0.889 1.00 0.00 H new ATOM 0 HD12 LEU A 6 68.970 9.999 1.053 1.00 0.00 H new ATOM 0 HD13 LEU A 6 70.433 9.424 0.218 1.00 0.00 H new ATOM 0 HD21 LEU A 6 70.990 12.002 -1.348 1.00 0.00 H new ATOM 0 HD22 LEU A 6 71.044 10.353 -2.016 1.00 0.00 H new ATOM 0 HD23 LEU A 6 70.016 11.589 -2.779 1.00 0.00 H new ATOM 94 N ALA A 7 65.672 9.016 -2.895 1.00 0.00 N ATOM 95 CA ALA A 7 64.729 7.992 -3.427 1.00 0.00 C ATOM 96 C ALA A 7 64.182 8.424 -4.791 1.00 0.00 C ATOM 97 O ALA A 7 63.749 7.609 -5.580 1.00 0.00 O ATOM 98 CB ALA A 7 63.603 7.918 -2.396 1.00 0.00 C ATOM 0 H ALA A 7 65.337 9.530 -2.080 1.00 0.00 H new ATOM 0 HA ALA A 7 65.212 7.026 -3.575 1.00 0.00 H new ATOM 0 HB1 ALA A 7 62.865 7.183 -2.716 1.00 0.00 H new ATOM 0 HB2 ALA A 7 64.013 7.624 -1.430 1.00 0.00 H new ATOM 0 HB3 ALA A 7 63.127 8.895 -2.306 1.00 0.00 H new ATOM 104 N LYS A 8 64.192 9.695 -5.077 1.00 0.00 N ATOM 105 CA LYS A 8 63.668 10.161 -6.394 1.00 0.00 C ATOM 106 C LYS A 8 64.782 10.146 -7.446 1.00 0.00 C ATOM 107 O LYS A 8 64.548 9.879 -8.609 1.00 0.00 O ATOM 108 CB LYS A 8 63.180 11.589 -6.147 1.00 0.00 C ATOM 109 CG LYS A 8 61.709 11.700 -6.553 1.00 0.00 C ATOM 110 CD LYS A 8 61.210 13.120 -6.284 1.00 0.00 C ATOM 111 CE LYS A 8 59.710 13.086 -5.986 1.00 0.00 C ATOM 112 NZ LYS A 8 59.499 14.130 -4.946 1.00 0.00 N ATOM 0 H LYS A 8 64.538 10.430 -4.460 1.00 0.00 H new ATOM 0 HA LYS A 8 62.871 9.519 -6.769 1.00 0.00 H new ATOM 0 HB2 LYS A 8 63.299 11.849 -5.095 1.00 0.00 H new ATOM 0 HB3 LYS A 8 63.781 12.295 -6.720 1.00 0.00 H new ATOM 0 HG2 LYS A 8 61.593 11.457 -7.609 1.00 0.00 H new ATOM 0 HG3 LYS A 8 61.111 10.981 -5.993 1.00 0.00 H new ATOM 0 HD2 LYS A 8 61.749 13.553 -5.441 1.00 0.00 H new ATOM 0 HD3 LYS A 8 61.406 13.755 -7.148 1.00 0.00 H new ATOM 0 HE2 LYS A 8 59.125 13.297 -6.881 1.00 0.00 H new ATOM 0 HE3 LYS A 8 59.401 12.104 -5.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 58.492 14.166 -4.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 60.063 13.899 -4.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 59.795 15.055 -5.318 1.00 0.00 H new ATOM 126 N ASN A 9 65.991 10.436 -7.050 1.00 0.00 N ATOM 127 CA ASN A 9 67.119 10.444 -8.031 1.00 0.00 C ATOM 128 C ASN A 9 67.464 9.017 -8.466 1.00 0.00 C ATOM 129 O ASN A 9 67.821 8.774 -9.602 1.00 0.00 O ATOM 130 CB ASN A 9 68.303 11.067 -7.286 1.00 0.00 C ATOM 131 CG ASN A 9 67.821 12.245 -6.439 1.00 0.00 C ATOM 132 OD1 ASN A 9 68.454 12.611 -5.468 1.00 0.00 O ATOM 133 ND2 ASN A 9 66.715 12.856 -6.763 1.00 0.00 N ATOM 0 H ASN A 9 66.249 10.668 -6.091 1.00 0.00 H new ATOM 0 HA ASN A 9 66.863 11.001 -8.932 1.00 0.00 H new ATOM 0 HB2 ASN A 9 68.778 10.320 -6.650 1.00 0.00 H new ATOM 0 HB3 ASN A 9 69.056 11.404 -7.998 1.00 0.00 H new ATOM 0 HD21 ASN A 9 66.382 13.640 -6.202 1.00 0.00 H new ATOM 0 HD22 ASN A 9 66.183 12.550 -7.578 1.00 0.00 H new ATOM 140 N LYS A 10 67.372 8.073 -7.570 1.00 0.00 N ATOM 141 CA LYS A 10 67.706 6.666 -7.931 1.00 0.00 C ATOM 142 C LYS A 10 66.464 5.932 -8.443 1.00 0.00 C ATOM 143 O LYS A 10 66.555 4.859 -9.008 1.00 0.00 O ATOM 144 CB LYS A 10 68.201 6.035 -6.632 1.00 0.00 C ATOM 145 CG LYS A 10 69.716 6.215 -6.520 1.00 0.00 C ATOM 146 CD LYS A 10 70.023 7.480 -5.717 1.00 0.00 C ATOM 147 CE LYS A 10 69.885 7.179 -4.224 1.00 0.00 C ATOM 148 NZ LYS A 10 71.182 7.598 -3.625 1.00 0.00 N ATOM 0 H LYS A 10 67.080 8.215 -6.603 1.00 0.00 H new ATOM 0 HA LYS A 10 68.451 6.612 -8.725 1.00 0.00 H new ATOM 0 HB2 LYS A 10 67.705 6.498 -5.779 1.00 0.00 H new ATOM 0 HB3 LYS A 10 67.948 4.975 -6.611 1.00 0.00 H new ATOM 0 HG2 LYS A 10 70.161 5.347 -6.034 1.00 0.00 H new ATOM 0 HG3 LYS A 10 70.159 6.286 -7.514 1.00 0.00 H new ATOM 0 HD2 LYS A 10 71.032 7.828 -5.937 1.00 0.00 H new ATOM 0 HD3 LYS A 10 69.340 8.280 -6.003 1.00 0.00 H new ATOM 0 HE2 LYS A 10 69.052 7.729 -3.786 1.00 0.00 H new ATOM 0 HE3 LYS A 10 69.694 6.120 -4.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 71.261 7.212 -2.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 71.965 7.239 -4.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 71.227 8.636 -3.587 1.00 0.00 H new ATOM 162 N GLY A 11 65.305 6.496 -8.247 1.00 0.00 N ATOM 163 CA GLY A 11 64.062 5.825 -8.721 1.00 0.00 C ATOM 164 C GLY A 11 63.525 4.914 -7.615 1.00 0.00 C ATOM 165 O GLY A 11 62.729 4.030 -7.858 1.00 0.00 O ATOM 0 H GLY A 11 65.164 7.392 -7.780 1.00 0.00 H new ATOM 0 HA2 GLY A 11 63.313 6.570 -8.990 1.00 0.00 H new ATOM 0 HA3 GLY A 11 64.269 5.243 -9.619 1.00 0.00 H new ATOM 169 N CYS A 12 63.959 5.123 -6.401 1.00 0.00 N ATOM 170 CA CYS A 12 63.476 4.272 -5.275 1.00 0.00 C ATOM 171 C CYS A 12 61.965 4.449 -5.070 1.00 0.00 C ATOM 172 O CYS A 12 61.306 3.604 -4.498 1.00 0.00 O ATOM 173 CB CYS A 12 64.231 4.778 -4.044 1.00 0.00 C ATOM 174 SG CYS A 12 66.010 4.833 -4.381 1.00 0.00 S ATOM 0 H CYS A 12 64.628 5.847 -6.140 1.00 0.00 H new ATOM 0 HA CYS A 12 63.650 3.213 -5.466 1.00 0.00 H new ATOM 0 HB2 CYS A 12 63.874 5.771 -3.772 1.00 0.00 H new ATOM 0 HB3 CYS A 12 64.034 4.125 -3.194 1.00 0.00 H new ATOM 0 HG CYS A 12 66.638 5.266 -3.328 1.00 0.00 H new ATOM 179 N MET A 13 61.416 5.547 -5.516 1.00 0.00 N ATOM 180 CA MET A 13 59.956 5.787 -5.330 1.00 0.00 C ATOM 181 C MET A 13 59.159 5.251 -6.525 1.00 0.00 C ATOM 182 O MET A 13 57.974 5.493 -6.647 1.00 0.00 O ATOM 183 CB MET A 13 59.822 7.307 -5.247 1.00 0.00 C ATOM 184 CG MET A 13 60.620 7.830 -4.052 1.00 0.00 C ATOM 185 SD MET A 13 59.711 9.188 -3.270 1.00 0.00 S ATOM 186 CE MET A 13 58.158 8.299 -2.999 1.00 0.00 C ATOM 0 H MET A 13 61.918 6.290 -6.003 1.00 0.00 H new ATOM 0 HA MET A 13 59.569 5.283 -4.445 1.00 0.00 H new ATOM 0 HB2 MET A 13 60.185 7.765 -6.167 1.00 0.00 H new ATOM 0 HB3 MET A 13 58.773 7.584 -5.145 1.00 0.00 H new ATOM 0 HG2 MET A 13 60.787 7.028 -3.333 1.00 0.00 H new ATOM 0 HG3 MET A 13 61.601 8.175 -4.379 1.00 0.00 H new ATOM 0 HE1 MET A 13 57.732 8.595 -2.040 1.00 0.00 H new ATOM 0 HE2 MET A 13 57.457 8.540 -3.798 1.00 0.00 H new ATOM 0 HE3 MET A 13 58.349 7.226 -2.996 1.00 0.00 H new ATOM 196 N ALA A 14 59.796 4.536 -7.406 1.00 0.00 N ATOM 197 CA ALA A 14 59.070 3.997 -8.590 1.00 0.00 C ATOM 198 C ALA A 14 58.415 2.655 -8.254 1.00 0.00 C ATOM 199 O ALA A 14 57.241 2.448 -8.490 1.00 0.00 O ATOM 200 CB ALA A 14 60.143 3.813 -9.663 1.00 0.00 C ATOM 0 H ALA A 14 60.787 4.301 -7.359 1.00 0.00 H new ATOM 0 HA ALA A 14 58.272 4.663 -8.917 1.00 0.00 H new ATOM 0 HB1 ALA A 14 59.686 3.417 -10.570 1.00 0.00 H new ATOM 0 HB2 ALA A 14 60.609 4.774 -9.881 1.00 0.00 H new ATOM 0 HB3 ALA A 14 60.900 3.116 -9.304 1.00 0.00 H new ATOM 206 N CYS A 15 59.168 1.743 -7.715 1.00 0.00 N ATOM 207 CA CYS A 15 58.599 0.410 -7.372 1.00 0.00 C ATOM 208 C CYS A 15 58.127 0.375 -5.918 1.00 0.00 C ATOM 209 O CYS A 15 57.406 -0.515 -5.517 1.00 0.00 O ATOM 210 CB CYS A 15 59.761 -0.567 -7.541 1.00 0.00 C ATOM 211 SG CYS A 15 60.339 -0.578 -9.257 1.00 0.00 S ATOM 0 H CYS A 15 60.157 1.861 -7.495 1.00 0.00 H new ATOM 0 HA CYS A 15 57.741 0.171 -8.000 1.00 0.00 H new ATOM 0 HB2 CYS A 15 60.579 -0.286 -6.878 1.00 0.00 H new ATOM 0 HB3 CYS A 15 59.446 -1.569 -7.251 1.00 0.00 H new ATOM 0 HG CYS A 15 61.328 -1.413 -9.376 1.00 0.00 H new ATOM 216 N HIS A 16 58.551 1.309 -5.111 1.00 0.00 N ATOM 217 CA HIS A 16 58.141 1.273 -3.678 1.00 0.00 C ATOM 218 C HIS A 16 57.067 2.315 -3.355 1.00 0.00 C ATOM 219 O HIS A 16 56.885 3.288 -4.058 1.00 0.00 O ATOM 220 CB HIS A 16 59.420 1.586 -2.901 1.00 0.00 C ATOM 221 CG HIS A 16 60.161 0.312 -2.608 1.00 0.00 C ATOM 222 ND1 HIS A 16 59.554 -0.769 -1.988 1.00 0.00 N ATOM 223 CD2 HIS A 16 61.461 -0.067 -2.836 1.00 0.00 C ATOM 224 CE1 HIS A 16 60.479 -1.737 -1.863 1.00 0.00 C ATOM 225 NE2 HIS A 16 61.658 -1.361 -2.365 1.00 0.00 N ATOM 0 H HIS A 16 59.156 2.086 -5.377 1.00 0.00 H new ATOM 0 HA HIS A 16 57.706 0.307 -3.421 1.00 0.00 H new ATOM 0 HB2 HIS A 16 60.052 2.261 -3.479 1.00 0.00 H new ATOM 0 HB3 HIS A 16 59.175 2.098 -1.970 1.00 0.00 H new ATOM 0 HD1 HIS A 16 58.582 -0.821 -1.682 1.00 0.00 H new ATOM 0 HD2 HIS A 16 62.215 0.545 -3.308 1.00 0.00 H new ATOM 0 HE1 HIS A 16 60.291 -2.700 -1.412 1.00 0.00 H new ATOM 233 N ALA A 17 56.372 2.108 -2.268 1.00 0.00 N ATOM 234 CA ALA A 17 55.314 3.066 -1.836 1.00 0.00 C ATOM 235 C ALA A 17 55.341 3.174 -0.309 1.00 0.00 C ATOM 236 O ALA A 17 55.287 2.183 0.386 1.00 0.00 O ATOM 237 CB ALA A 17 53.993 2.458 -2.309 1.00 0.00 C ATOM 0 H ALA A 17 56.495 1.304 -1.653 1.00 0.00 H new ATOM 0 HA ALA A 17 55.455 4.066 -2.247 1.00 0.00 H new ATOM 0 HB1 ALA A 17 53.169 3.112 -2.024 1.00 0.00 H new ATOM 0 HB2 ALA A 17 54.011 2.348 -3.393 1.00 0.00 H new ATOM 0 HB3 ALA A 17 53.856 1.480 -1.847 1.00 0.00 H new ATOM 243 N ILE A 18 55.435 4.365 0.212 1.00 0.00 N ATOM 244 CA ILE A 18 55.486 4.544 1.696 1.00 0.00 C ATOM 245 C ILE A 18 54.544 3.568 2.405 1.00 0.00 C ATOM 246 O ILE A 18 54.757 3.213 3.545 1.00 0.00 O ATOM 247 CB ILE A 18 55.033 5.986 1.931 1.00 0.00 C ATOM 248 CG1 ILE A 18 55.885 6.935 1.084 1.00 0.00 C ATOM 249 CG2 ILE A 18 55.193 6.343 3.410 1.00 0.00 C ATOM 250 CD1 ILE A 18 54.993 7.658 0.075 1.00 0.00 C ATOM 0 H ILE A 18 55.479 5.230 -0.327 1.00 0.00 H new ATOM 0 HA ILE A 18 56.483 4.349 2.092 1.00 0.00 H new ATOM 0 HB ILE A 18 53.985 6.084 1.647 1.00 0.00 H new ATOM 0 HG12 ILE A 18 56.388 7.659 1.725 1.00 0.00 H new ATOM 0 HG13 ILE A 18 56.662 6.376 0.563 1.00 0.00 H new ATOM 0 HG21 ILE A 18 54.869 7.371 3.573 1.00 0.00 H new ATOM 0 HG22 ILE A 18 54.584 5.671 4.015 1.00 0.00 H new ATOM 0 HG23 ILE A 18 56.240 6.242 3.697 1.00 0.00 H new ATOM 0 HD11 ILE A 18 55.599 8.334 -0.528 1.00 0.00 H new ATOM 0 HD12 ILE A 18 54.510 6.927 -0.574 1.00 0.00 H new ATOM 0 HD13 ILE A 18 54.232 8.230 0.606 1.00 0.00 H new ATOM 262 N ASP A 19 53.503 3.137 1.752 1.00 0.00 N ATOM 263 CA ASP A 19 52.562 2.188 2.417 1.00 0.00 C ATOM 264 C ASP A 19 51.866 1.301 1.383 1.00 0.00 C ATOM 265 O ASP A 19 51.631 0.130 1.614 1.00 0.00 O ATOM 266 CB ASP A 19 51.544 3.079 3.126 1.00 0.00 C ATOM 267 CG ASP A 19 52.242 3.861 4.240 1.00 0.00 C ATOM 268 OD1 ASP A 19 52.819 3.229 5.109 1.00 0.00 O ATOM 269 OD2 ASP A 19 52.189 5.079 4.203 1.00 0.00 O ATOM 0 H ASP A 19 53.262 3.396 0.795 1.00 0.00 H new ATOM 0 HA ASP A 19 53.077 1.518 3.106 1.00 0.00 H new ATOM 0 HB2 ASP A 19 51.088 3.767 2.414 1.00 0.00 H new ATOM 0 HB3 ASP A 19 50.740 2.472 3.542 1.00 0.00 H new ATOM 274 N THR A 20 51.536 1.845 0.248 1.00 0.00 N ATOM 275 CA THR A 20 50.855 1.026 -0.795 1.00 0.00 C ATOM 276 C THR A 20 51.833 -0.006 -1.358 1.00 0.00 C ATOM 277 O THR A 20 53.026 0.074 -1.143 1.00 0.00 O ATOM 278 CB THR A 20 50.431 2.021 -1.877 1.00 0.00 C ATOM 279 OG1 THR A 20 51.393 3.063 -1.969 1.00 0.00 O ATOM 280 CG2 THR A 20 49.066 2.612 -1.516 1.00 0.00 C ATOM 0 H THR A 20 51.707 2.818 -0.005 1.00 0.00 H new ATOM 0 HA THR A 20 49.999 0.477 -0.402 1.00 0.00 H new ATOM 0 HB THR A 20 50.363 1.509 -2.837 1.00 0.00 H new ATOM 0 HG1 THR A 20 51.537 3.293 -2.911 1.00 0.00 H new ATOM 0 HG21 THR A 20 48.762 3.321 -2.286 1.00 0.00 H new ATOM 0 HG22 THR A 20 48.329 1.812 -1.449 1.00 0.00 H new ATOM 0 HG23 THR A 20 49.134 3.125 -0.556 1.00 0.00 H new ATOM 288 N LYS A 21 51.341 -0.984 -2.066 1.00 0.00 N ATOM 289 CA LYS A 21 52.249 -2.021 -2.624 1.00 0.00 C ATOM 290 C LYS A 21 52.274 -1.958 -4.152 1.00 0.00 C ATOM 291 O LYS A 21 51.438 -2.531 -4.821 1.00 0.00 O ATOM 292 CB LYS A 21 51.666 -3.354 -2.152 1.00 0.00 C ATOM 293 CG LYS A 21 52.495 -3.894 -0.986 1.00 0.00 C ATOM 294 CD LYS A 21 51.657 -4.891 -0.181 1.00 0.00 C ATOM 295 CE LYS A 21 51.539 -4.409 1.266 1.00 0.00 C ATOM 296 NZ LYS A 21 52.128 -5.506 2.084 1.00 0.00 N ATOM 0 H LYS A 21 50.352 -1.109 -2.281 1.00 0.00 H new ATOM 0 HA LYS A 21 53.278 -1.881 -2.292 1.00 0.00 H new ATOM 0 HB2 LYS A 21 50.630 -3.220 -1.843 1.00 0.00 H new ATOM 0 HB3 LYS A 21 51.663 -4.072 -2.972 1.00 0.00 H new ATOM 0 HG2 LYS A 21 53.396 -4.380 -1.361 1.00 0.00 H new ATOM 0 HG3 LYS A 21 52.818 -3.074 -0.345 1.00 0.00 H new ATOM 0 HD2 LYS A 21 50.666 -4.990 -0.624 1.00 0.00 H new ATOM 0 HD3 LYS A 21 52.119 -5.878 -0.210 1.00 0.00 H new ATOM 0 HE2 LYS A 21 52.076 -3.472 1.416 1.00 0.00 H new ATOM 0 HE3 LYS A 21 50.499 -4.227 1.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 52.084 -5.250 3.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 51.592 -6.383 1.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 53.120 -5.652 1.807 1.00 0.00 H new ATOM 310 N MET A 22 53.236 -1.274 -4.709 1.00 0.00 N ATOM 311 CA MET A 22 53.325 -1.187 -6.194 1.00 0.00 C ATOM 312 C MET A 22 54.078 -2.402 -6.737 1.00 0.00 C ATOM 313 O MET A 22 53.490 -3.415 -7.063 1.00 0.00 O ATOM 314 CB MET A 22 54.101 0.102 -6.469 1.00 0.00 C ATOM 315 CG MET A 22 53.118 1.265 -6.628 1.00 0.00 C ATOM 316 SD MET A 22 53.215 2.344 -5.179 1.00 0.00 S ATOM 317 CE MET A 22 54.727 3.219 -5.646 1.00 0.00 C ATOM 0 H MET A 22 53.964 -0.772 -4.200 1.00 0.00 H new ATOM 0 HA MET A 22 52.347 -1.176 -6.674 1.00 0.00 H new ATOM 0 HB2 MET A 22 54.792 0.305 -5.651 1.00 0.00 H new ATOM 0 HB3 MET A 22 54.701 -0.008 -7.373 1.00 0.00 H new ATOM 0 HG2 MET A 22 53.350 1.830 -7.531 1.00 0.00 H new ATOM 0 HG3 MET A 22 52.103 0.884 -6.743 1.00 0.00 H new ATOM 0 HE1 MET A 22 54.938 3.997 -4.913 1.00 0.00 H new ATOM 0 HE2 MET A 22 55.559 2.516 -5.678 1.00 0.00 H new ATOM 0 HE3 MET A 22 54.596 3.672 -6.629 1.00 0.00 H new ATOM 327 N VAL A 23 55.375 -2.314 -6.823 1.00 0.00 N ATOM 328 CA VAL A 23 56.166 -3.465 -7.331 1.00 0.00 C ATOM 329 C VAL A 23 56.862 -4.165 -6.161 1.00 0.00 C ATOM 330 O VAL A 23 57.131 -5.350 -6.201 1.00 0.00 O ATOM 331 CB VAL A 23 57.191 -2.857 -8.287 1.00 0.00 C ATOM 332 CG1 VAL A 23 58.172 -3.938 -8.742 1.00 0.00 C ATOM 333 CG2 VAL A 23 56.466 -2.275 -9.504 1.00 0.00 C ATOM 0 H VAL A 23 55.921 -1.493 -6.563 1.00 0.00 H new ATOM 0 HA VAL A 23 55.548 -4.210 -7.832 1.00 0.00 H new ATOM 0 HB VAL A 23 57.740 -2.065 -7.777 1.00 0.00 H new ATOM 0 HG11 VAL A 23 58.902 -3.503 -9.424 1.00 0.00 H new ATOM 0 HG12 VAL A 23 58.687 -4.351 -7.874 1.00 0.00 H new ATOM 0 HG13 VAL A 23 57.627 -4.732 -9.253 1.00 0.00 H new ATOM 0 HG21 VAL A 23 57.195 -1.840 -10.188 1.00 0.00 H new ATOM 0 HG22 VAL A 23 55.917 -3.067 -10.014 1.00 0.00 H new ATOM 0 HG23 VAL A 23 55.769 -1.503 -9.178 1.00 0.00 H new ATOM 343 N GLY A 24 57.142 -3.439 -5.112 1.00 0.00 N ATOM 344 CA GLY A 24 57.807 -4.054 -3.927 1.00 0.00 C ATOM 345 C GLY A 24 56.947 -3.798 -2.684 1.00 0.00 C ATOM 346 O GLY A 24 55.931 -3.138 -2.765 1.00 0.00 O ATOM 0 H GLY A 24 56.938 -2.443 -5.025 1.00 0.00 H new ATOM 0 HA2 GLY A 24 57.936 -5.125 -4.081 1.00 0.00 H new ATOM 0 HA3 GLY A 24 58.802 -3.629 -3.791 1.00 0.00 H new ATOM 350 N PRO A 25 57.379 -4.331 -1.570 1.00 0.00 N ATOM 351 CA PRO A 25 56.634 -4.160 -0.301 1.00 0.00 C ATOM 352 C PRO A 25 56.683 -2.698 0.156 1.00 0.00 C ATOM 353 O PRO A 25 57.715 -2.058 0.103 1.00 0.00 O ATOM 354 CB PRO A 25 57.407 -5.064 0.664 1.00 0.00 C ATOM 355 CG PRO A 25 58.574 -5.718 -0.101 1.00 0.00 C ATOM 356 CD PRO A 25 58.624 -5.130 -1.515 1.00 0.00 C ATOM 0 HA PRO A 25 55.576 -4.413 -0.374 1.00 0.00 H new ATOM 0 HB2 PRO A 25 57.785 -4.483 1.505 1.00 0.00 H new ATOM 0 HB3 PRO A 25 56.748 -5.829 1.075 1.00 0.00 H new ATOM 0 HG2 PRO A 25 59.515 -5.536 0.418 1.00 0.00 H new ATOM 0 HG3 PRO A 25 58.438 -6.799 -0.146 1.00 0.00 H new ATOM 0 HD2 PRO A 25 59.510 -4.513 -1.668 1.00 0.00 H new ATOM 0 HD3 PRO A 25 58.642 -5.908 -2.278 1.00 0.00 H new ATOM 364 N ALA A 26 55.580 -2.166 0.610 1.00 0.00 N ATOM 365 CA ALA A 26 55.578 -0.749 1.071 1.00 0.00 C ATOM 366 C ALA A 26 56.807 -0.483 1.943 1.00 0.00 C ATOM 367 O ALA A 26 57.447 -1.399 2.418 1.00 0.00 O ATOM 368 CB ALA A 26 54.296 -0.603 1.891 1.00 0.00 C ATOM 0 H ALA A 26 54.685 -2.649 0.681 1.00 0.00 H new ATOM 0 HA ALA A 26 55.613 -0.041 0.243 1.00 0.00 H new ATOM 0 HB1 ALA A 26 54.219 0.417 2.268 1.00 0.00 H new ATOM 0 HB2 ALA A 26 53.434 -0.823 1.261 1.00 0.00 H new ATOM 0 HB3 ALA A 26 54.319 -1.299 2.729 1.00 0.00 H new ATOM 374 N TYR A 27 57.142 0.759 2.161 1.00 0.00 N ATOM 375 CA TYR A 27 58.327 1.071 3.002 1.00 0.00 C ATOM 376 C TYR A 27 57.968 0.916 4.484 1.00 0.00 C ATOM 377 O TYR A 27 58.688 0.301 5.247 1.00 0.00 O ATOM 378 CB TYR A 27 58.672 2.524 2.668 1.00 0.00 C ATOM 379 CG TYR A 27 59.539 2.584 1.425 1.00 0.00 C ATOM 380 CD1 TYR A 27 60.523 1.612 1.191 1.00 0.00 C ATOM 381 CD2 TYR A 27 59.355 3.624 0.505 1.00 0.00 C ATOM 382 CE1 TYR A 27 61.319 1.684 0.041 1.00 0.00 C ATOM 383 CE2 TYR A 27 60.151 3.694 -0.644 1.00 0.00 C ATOM 384 CZ TYR A 27 61.133 2.725 -0.876 1.00 0.00 C ATOM 385 OH TYR A 27 61.917 2.795 -2.010 1.00 0.00 O ATOM 0 H TYR A 27 56.645 1.570 1.792 1.00 0.00 H new ATOM 0 HA TYR A 27 59.168 0.405 2.811 1.00 0.00 H new ATOM 0 HB2 TYR A 27 57.757 3.096 2.510 1.00 0.00 H new ATOM 0 HB3 TYR A 27 59.194 2.984 3.507 1.00 0.00 H new ATOM 0 HD1 TYR A 27 60.667 0.808 1.898 1.00 0.00 H new ATOM 0 HD2 TYR A 27 58.598 4.373 0.683 1.00 0.00 H new ATOM 0 HE1 TYR A 27 62.077 0.936 -0.138 1.00 0.00 H new ATOM 0 HE2 TYR A 27 60.007 4.497 -1.352 1.00 0.00 H new ATOM 0 HH TYR A 27 61.521 3.430 -2.643 1.00 0.00 H new ATOM 395 N LYS A 28 56.853 1.458 4.895 1.00 0.00 N ATOM 396 CA LYS A 28 56.450 1.326 6.324 1.00 0.00 C ATOM 397 C LYS A 28 56.374 -0.154 6.696 1.00 0.00 C ATOM 398 O LYS A 28 56.996 -0.602 7.639 1.00 0.00 O ATOM 399 CB LYS A 28 55.068 1.976 6.414 1.00 0.00 C ATOM 400 CG LYS A 28 54.999 2.867 7.657 1.00 0.00 C ATOM 401 CD LYS A 28 54.080 2.224 8.698 1.00 0.00 C ATOM 402 CE LYS A 28 54.925 1.619 9.823 1.00 0.00 C ATOM 403 NZ LYS A 28 54.184 0.399 10.248 1.00 0.00 N ATOM 0 H LYS A 28 56.207 1.984 4.306 1.00 0.00 H new ATOM 0 HA LYS A 28 57.158 1.798 7.005 1.00 0.00 H new ATOM 0 HB2 LYS A 28 54.874 2.567 5.519 1.00 0.00 H new ATOM 0 HB3 LYS A 28 54.296 1.208 6.462 1.00 0.00 H new ATOM 0 HG2 LYS A 28 55.997 3.005 8.074 1.00 0.00 H new ATOM 0 HG3 LYS A 28 54.626 3.855 7.388 1.00 0.00 H new ATOM 0 HD2 LYS A 28 53.395 2.969 9.104 1.00 0.00 H new ATOM 0 HD3 LYS A 28 53.470 1.451 8.231 1.00 0.00 H new ATOM 0 HE2 LYS A 28 55.927 1.370 9.474 1.00 0.00 H new ATOM 0 HE3 LYS A 28 55.040 2.319 10.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 54.693 -0.062 11.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 53.230 0.665 10.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 54.111 -0.259 9.446 1.00 0.00 H new ATOM 417 N ASP A 29 55.621 -0.916 5.955 1.00 0.00 N ATOM 418 CA ASP A 29 55.506 -2.374 6.256 1.00 0.00 C ATOM 419 C ASP A 29 56.900 -2.998 6.401 1.00 0.00 C ATOM 420 O ASP A 29 57.118 -3.875 7.216 1.00 0.00 O ATOM 421 CB ASP A 29 54.774 -2.974 5.054 1.00 0.00 C ATOM 422 CG ASP A 29 53.265 -2.951 5.310 1.00 0.00 C ATOM 423 OD1 ASP A 29 52.735 -1.872 5.514 1.00 0.00 O ATOM 424 OD2 ASP A 29 52.668 -4.015 5.301 1.00 0.00 O ATOM 0 H ASP A 29 55.079 -0.595 5.153 1.00 0.00 H new ATOM 0 HA ASP A 29 54.975 -2.560 7.190 1.00 0.00 H new ATOM 0 HB2 ASP A 29 55.009 -2.408 4.152 1.00 0.00 H new ATOM 0 HB3 ASP A 29 55.109 -3.997 4.885 1.00 0.00 H new ATOM 429 N VAL A 30 57.844 -2.557 5.616 1.00 0.00 N ATOM 430 CA VAL A 30 59.217 -3.132 5.709 1.00 0.00 C ATOM 431 C VAL A 30 59.806 -2.886 7.098 1.00 0.00 C ATOM 432 O VAL A 30 60.396 -3.763 7.698 1.00 0.00 O ATOM 433 CB VAL A 30 60.030 -2.395 4.645 1.00 0.00 C ATOM 434 CG1 VAL A 30 61.492 -2.837 4.723 1.00 0.00 C ATOM 435 CG2 VAL A 30 59.474 -2.727 3.259 1.00 0.00 C ATOM 0 H VAL A 30 57.725 -1.825 4.916 1.00 0.00 H new ATOM 0 HA VAL A 30 59.221 -4.211 5.552 1.00 0.00 H new ATOM 0 HB VAL A 30 59.964 -1.321 4.818 1.00 0.00 H new ATOM 0 HG11 VAL A 30 62.072 -2.312 3.964 1.00 0.00 H new ATOM 0 HG12 VAL A 30 61.890 -2.604 5.710 1.00 0.00 H new ATOM 0 HG13 VAL A 30 61.557 -3.911 4.550 1.00 0.00 H new ATOM 0 HG21 VAL A 30 60.053 -2.202 2.499 1.00 0.00 H new ATOM 0 HG22 VAL A 30 59.541 -3.801 3.088 1.00 0.00 H new ATOM 0 HG23 VAL A 30 58.431 -2.415 3.201 1.00 0.00 H new ATOM 445 N ALA A 31 59.655 -1.700 7.613 1.00 0.00 N ATOM 446 CA ALA A 31 60.211 -1.397 8.963 1.00 0.00 C ATOM 447 C ALA A 31 59.382 -2.086 10.048 1.00 0.00 C ATOM 448 O ALA A 31 59.857 -2.339 11.136 1.00 0.00 O ATOM 449 CB ALA A 31 60.112 0.120 9.103 1.00 0.00 C ATOM 0 H ALA A 31 59.171 -0.926 7.159 1.00 0.00 H new ATOM 0 HA ALA A 31 61.236 -1.753 9.072 1.00 0.00 H new ATOM 0 HB1 ALA A 31 60.503 0.422 10.075 1.00 0.00 H new ATOM 0 HB2 ALA A 31 60.693 0.597 8.314 1.00 0.00 H new ATOM 0 HB3 ALA A 31 59.069 0.426 9.021 1.00 0.00 H new ATOM 455 N ALA A 32 58.145 -2.389 9.763 1.00 0.00 N ATOM 456 CA ALA A 32 57.293 -3.058 10.785 1.00 0.00 C ATOM 457 C ALA A 32 57.656 -4.543 10.888 1.00 0.00 C ATOM 458 O ALA A 32 57.420 -5.180 11.896 1.00 0.00 O ATOM 459 CB ALA A 32 55.859 -2.887 10.282 1.00 0.00 C ATOM 0 H ALA A 32 57.689 -2.203 8.870 1.00 0.00 H new ATOM 0 HA ALA A 32 57.428 -2.630 11.778 1.00 0.00 H new ATOM 0 HB1 ALA A 32 55.169 -3.355 10.984 1.00 0.00 H new ATOM 0 HB2 ALA A 32 55.627 -1.825 10.199 1.00 0.00 H new ATOM 0 HB3 ALA A 32 55.758 -3.358 9.304 1.00 0.00 H new ATOM 465 N LYS A 33 58.229 -5.098 9.854 1.00 0.00 N ATOM 466 CA LYS A 33 58.603 -6.540 9.899 1.00 0.00 C ATOM 467 C LYS A 33 60.027 -6.706 10.440 1.00 0.00 C ATOM 468 O LYS A 33 60.296 -7.582 11.239 1.00 0.00 O ATOM 469 CB LYS A 33 58.508 -7.025 8.451 1.00 0.00 C ATOM 470 CG LYS A 33 59.096 -8.434 8.343 1.00 0.00 C ATOM 471 CD LYS A 33 58.205 -9.423 9.099 1.00 0.00 C ATOM 472 CE LYS A 33 58.433 -10.838 8.559 1.00 0.00 C ATOM 473 NZ LYS A 33 57.703 -10.878 7.261 1.00 0.00 N ATOM 0 H LYS A 33 58.453 -4.617 8.983 1.00 0.00 H new ATOM 0 HA LYS A 33 57.951 -7.113 10.558 1.00 0.00 H new ATOM 0 HB2 LYS A 33 57.468 -7.028 8.125 1.00 0.00 H new ATOM 0 HB3 LYS A 33 59.046 -6.344 7.792 1.00 0.00 H new ATOM 0 HG2 LYS A 33 59.174 -8.727 7.296 1.00 0.00 H new ATOM 0 HG3 LYS A 33 60.105 -8.450 8.755 1.00 0.00 H new ATOM 0 HD2 LYS A 33 58.430 -9.389 10.165 1.00 0.00 H new ATOM 0 HD3 LYS A 33 57.157 -9.144 8.986 1.00 0.00 H new ATOM 0 HE2 LYS A 33 59.495 -11.041 8.421 1.00 0.00 H new ATOM 0 HE3 LYS A 33 58.052 -11.590 9.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 56.985 -11.630 7.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 57.239 -9.962 7.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 58.375 -11.070 6.491 1.00 0.00 H new ATOM 487 N TYR A 34 60.943 -5.874 10.018 1.00 0.00 N ATOM 488 CA TYR A 34 62.344 -5.996 10.524 1.00 0.00 C ATOM 489 C TYR A 34 62.494 -5.237 11.844 1.00 0.00 C ATOM 490 O TYR A 34 63.571 -5.145 12.399 1.00 0.00 O ATOM 491 CB TYR A 34 63.222 -5.368 9.441 1.00 0.00 C ATOM 492 CG TYR A 34 63.549 -6.405 8.393 1.00 0.00 C ATOM 493 CD1 TYR A 34 64.238 -7.568 8.754 1.00 0.00 C ATOM 494 CD2 TYR A 34 63.165 -6.204 7.062 1.00 0.00 C ATOM 495 CE1 TYR A 34 64.542 -8.531 7.783 1.00 0.00 C ATOM 496 CE2 TYR A 34 63.468 -7.166 6.092 1.00 0.00 C ATOM 497 CZ TYR A 34 64.158 -8.329 6.453 1.00 0.00 C ATOM 498 OH TYR A 34 64.458 -9.278 5.496 1.00 0.00 O ATOM 0 H TYR A 34 60.784 -5.120 9.350 1.00 0.00 H new ATOM 0 HA TYR A 34 62.622 -7.032 10.717 1.00 0.00 H new ATOM 0 HB2 TYR A 34 62.706 -4.524 8.984 1.00 0.00 H new ATOM 0 HB3 TYR A 34 64.140 -4.979 9.882 1.00 0.00 H new ATOM 0 HD1 TYR A 34 64.535 -7.723 9.781 1.00 0.00 H new ATOM 0 HD2 TYR A 34 62.634 -5.306 6.783 1.00 0.00 H new ATOM 0 HE1 TYR A 34 65.073 -9.429 8.061 1.00 0.00 H new ATOM 0 HE2 TYR A 34 63.170 -7.011 5.066 1.00 0.00 H new ATOM 0 HH TYR A 34 64.119 -8.983 4.625 1.00 0.00 H new ATOM 508 N ALA A 35 61.423 -4.692 12.351 1.00 0.00 N ATOM 509 CA ALA A 35 61.508 -3.939 13.637 1.00 0.00 C ATOM 510 C ALA A 35 62.070 -4.841 14.741 1.00 0.00 C ATOM 511 O ALA A 35 61.348 -5.588 15.371 1.00 0.00 O ATOM 512 CB ALA A 35 60.068 -3.534 13.953 1.00 0.00 C ATOM 0 H ALA A 35 60.494 -4.734 11.933 1.00 0.00 H new ATOM 0 HA ALA A 35 62.168 -3.074 13.569 1.00 0.00 H new ATOM 0 HB1 ALA A 35 60.044 -2.974 14.888 1.00 0.00 H new ATOM 0 HB2 ALA A 35 59.680 -2.911 13.147 1.00 0.00 H new ATOM 0 HB3 ALA A 35 59.452 -4.428 14.050 1.00 0.00 H new ATOM 518 N GLY A 36 63.352 -4.775 14.981 1.00 0.00 N ATOM 519 CA GLY A 36 63.956 -5.629 16.045 1.00 0.00 C ATOM 520 C GLY A 36 65.409 -5.951 15.688 1.00 0.00 C ATOM 521 O GLY A 36 66.274 -5.982 16.541 1.00 0.00 O ATOM 0 H GLY A 36 64.006 -4.168 14.487 1.00 0.00 H new ATOM 0 HA2 GLY A 36 63.913 -5.115 17.005 1.00 0.00 H new ATOM 0 HA3 GLY A 36 63.385 -6.551 16.152 1.00 0.00 H new ATOM 525 N GLN A 37 65.687 -6.197 14.436 1.00 0.00 N ATOM 526 CA GLN A 37 67.087 -6.522 14.033 1.00 0.00 C ATOM 527 C GLN A 37 68.062 -5.495 14.618 1.00 0.00 C ATOM 528 O GLN A 37 67.797 -4.309 14.631 1.00 0.00 O ATOM 529 CB GLN A 37 67.091 -6.451 12.506 1.00 0.00 C ATOM 530 CG GLN A 37 66.428 -7.705 11.932 1.00 0.00 C ATOM 531 CD GLN A 37 67.444 -8.474 11.085 1.00 0.00 C ATOM 532 OE1 GLN A 37 67.694 -8.122 9.949 1.00 0.00 O ATOM 533 NE2 GLN A 37 68.046 -9.515 11.593 1.00 0.00 N ATOM 0 H GLN A 37 65.007 -6.187 13.676 1.00 0.00 H new ATOM 0 HA GLN A 37 67.400 -7.501 14.397 1.00 0.00 H new ATOM 0 HB2 GLN A 37 66.558 -5.561 12.172 1.00 0.00 H new ATOM 0 HB3 GLN A 37 68.114 -6.367 12.138 1.00 0.00 H new ATOM 0 HG2 GLN A 37 66.059 -8.337 12.740 1.00 0.00 H new ATOM 0 HG3 GLN A 37 65.566 -7.429 11.324 1.00 0.00 H new ATOM 0 HE21 GLN A 37 67.836 -9.811 12.546 1.00 0.00 H new ATOM 0 HE22 GLN A 37 68.726 -10.033 11.036 1.00 0.00 H new ATOM 542 N ALA A 38 69.189 -5.945 15.098 1.00 0.00 N ATOM 543 CA ALA A 38 70.185 -5.003 15.679 1.00 0.00 C ATOM 544 C ALA A 38 71.120 -4.484 14.584 1.00 0.00 C ATOM 545 O ALA A 38 72.327 -4.523 14.715 1.00 0.00 O ATOM 546 CB ALA A 38 70.966 -5.830 16.698 1.00 0.00 C ATOM 0 H ALA A 38 69.463 -6.927 15.112 1.00 0.00 H new ATOM 0 HA ALA A 38 69.713 -4.133 16.136 1.00 0.00 H new ATOM 0 HB1 ALA A 38 71.722 -5.204 17.171 1.00 0.00 H new ATOM 0 HB2 ALA A 38 70.283 -6.211 17.457 1.00 0.00 H new ATOM 0 HB3 ALA A 38 71.451 -6.666 16.193 1.00 0.00 H new ATOM 552 N GLY A 39 70.571 -4.003 13.503 1.00 0.00 N ATOM 553 CA GLY A 39 71.426 -3.486 12.399 1.00 0.00 C ATOM 554 C GLY A 39 70.778 -3.827 11.058 1.00 0.00 C ATOM 555 O GLY A 39 71.437 -4.239 10.125 1.00 0.00 O ATOM 0 H GLY A 39 69.566 -3.946 13.337 1.00 0.00 H new ATOM 0 HA2 GLY A 39 71.549 -2.407 12.493 1.00 0.00 H new ATOM 0 HA3 GLY A 39 72.421 -3.926 12.458 1.00 0.00 H new ATOM 559 N ALA A 40 69.487 -3.664 10.956 1.00 0.00 N ATOM 560 CA ALA A 40 68.795 -3.986 9.675 1.00 0.00 C ATOM 561 C ALA A 40 69.052 -2.888 8.644 1.00 0.00 C ATOM 562 O ALA A 40 68.888 -3.092 7.458 1.00 0.00 O ATOM 563 CB ALA A 40 67.310 -4.058 10.032 1.00 0.00 C ATOM 0 H ALA A 40 68.882 -3.322 11.703 1.00 0.00 H new ATOM 0 HA ALA A 40 69.151 -4.918 9.236 1.00 0.00 H new ATOM 0 HB1 ALA A 40 66.732 -4.292 9.138 1.00 0.00 H new ATOM 0 HB2 ALA A 40 67.153 -4.836 10.780 1.00 0.00 H new ATOM 0 HB3 ALA A 40 66.985 -3.098 10.433 1.00 0.00 H new ATOM 569 N GLU A 41 69.460 -1.730 9.080 1.00 0.00 N ATOM 570 CA GLU A 41 69.736 -0.631 8.113 1.00 0.00 C ATOM 571 C GLU A 41 71.058 -0.904 7.394 1.00 0.00 C ATOM 572 O GLU A 41 71.204 -0.640 6.219 1.00 0.00 O ATOM 573 CB GLU A 41 69.832 0.637 8.962 1.00 0.00 C ATOM 574 CG GLU A 41 68.894 1.702 8.393 1.00 0.00 C ATOM 575 CD GLU A 41 69.594 3.062 8.415 1.00 0.00 C ATOM 576 OE1 GLU A 41 70.281 3.367 7.455 1.00 0.00 O ATOM 577 OE2 GLU A 41 69.431 3.773 9.392 1.00 0.00 O ATOM 0 H GLU A 41 69.614 -1.497 10.061 1.00 0.00 H new ATOM 0 HA GLU A 41 68.964 -0.541 7.349 1.00 0.00 H new ATOM 0 HB2 GLU A 41 69.565 0.417 9.996 1.00 0.00 H new ATOM 0 HB3 GLU A 41 70.858 1.006 8.969 1.00 0.00 H new ATOM 0 HG2 GLU A 41 68.610 1.444 7.373 1.00 0.00 H new ATOM 0 HG3 GLU A 41 67.976 1.744 8.979 1.00 0.00 H new ATOM 584 N ALA A 42 72.021 -1.444 8.093 1.00 0.00 N ATOM 585 CA ALA A 42 73.329 -1.746 7.445 1.00 0.00 C ATOM 586 C ALA A 42 73.140 -2.845 6.399 1.00 0.00 C ATOM 587 O ALA A 42 73.519 -2.697 5.251 1.00 0.00 O ATOM 588 CB ALA A 42 74.235 -2.228 8.579 1.00 0.00 C ATOM 0 H ALA A 42 71.958 -1.688 9.081 1.00 0.00 H new ATOM 0 HA ALA A 42 73.754 -0.882 6.934 1.00 0.00 H new ATOM 0 HB1 ALA A 42 75.220 -2.471 8.180 1.00 0.00 H new ATOM 0 HB2 ALA A 42 74.331 -1.442 9.328 1.00 0.00 H new ATOM 0 HB3 ALA A 42 73.801 -3.116 9.039 1.00 0.00 H new ATOM 594 N TYR A 43 72.539 -3.942 6.776 1.00 0.00 N ATOM 595 CA TYR A 43 72.316 -5.031 5.790 1.00 0.00 C ATOM 596 C TYR A 43 71.340 -4.539 4.728 1.00 0.00 C ATOM 597 O TYR A 43 71.433 -4.893 3.570 1.00 0.00 O ATOM 598 CB TYR A 43 71.732 -6.189 6.606 1.00 0.00 C ATOM 599 CG TYR A 43 70.978 -7.136 5.704 1.00 0.00 C ATOM 600 CD1 TYR A 43 69.712 -6.786 5.221 1.00 0.00 C ATOM 601 CD2 TYR A 43 71.543 -8.369 5.355 1.00 0.00 C ATOM 602 CE1 TYR A 43 69.009 -7.667 4.392 1.00 0.00 C ATOM 603 CE2 TYR A 43 70.840 -9.251 4.523 1.00 0.00 C ATOM 604 CZ TYR A 43 69.573 -8.899 4.042 1.00 0.00 C ATOM 605 OH TYR A 43 68.879 -9.768 3.225 1.00 0.00 O ATOM 0 H TYR A 43 72.196 -4.128 7.718 1.00 0.00 H new ATOM 0 HA TYR A 43 73.222 -5.343 5.271 1.00 0.00 H new ATOM 0 HB2 TYR A 43 72.533 -6.723 7.117 1.00 0.00 H new ATOM 0 HB3 TYR A 43 71.065 -5.801 7.376 1.00 0.00 H new ATOM 0 HD1 TYR A 43 69.277 -5.834 5.489 1.00 0.00 H new ATOM 0 HD2 TYR A 43 72.520 -8.640 5.727 1.00 0.00 H new ATOM 0 HE1 TYR A 43 68.031 -7.396 4.022 1.00 0.00 H new ATOM 0 HE2 TYR A 43 71.275 -10.202 4.253 1.00 0.00 H new ATOM 0 HH TYR A 43 68.303 -9.257 2.618 1.00 0.00 H new ATOM 615 N LEU A 44 70.429 -3.691 5.108 1.00 0.00 N ATOM 616 CA LEU A 44 69.479 -3.139 4.111 1.00 0.00 C ATOM 617 C LEU A 44 70.279 -2.310 3.114 1.00 0.00 C ATOM 618 O LEU A 44 69.949 -2.217 1.952 1.00 0.00 O ATOM 619 CB LEU A 44 68.518 -2.262 4.914 1.00 0.00 C ATOM 620 CG LEU A 44 67.331 -3.108 5.378 1.00 0.00 C ATOM 621 CD1 LEU A 44 66.460 -2.292 6.334 1.00 0.00 C ATOM 622 CD2 LEU A 44 66.500 -3.527 4.163 1.00 0.00 C ATOM 0 H LEU A 44 70.302 -3.358 6.064 1.00 0.00 H new ATOM 0 HA LEU A 44 68.931 -3.901 3.557 1.00 0.00 H new ATOM 0 HB2 LEU A 44 69.032 -1.832 5.774 1.00 0.00 H new ATOM 0 HB3 LEU A 44 68.169 -1.430 4.302 1.00 0.00 H new ATOM 0 HG LEU A 44 67.698 -3.995 5.893 1.00 0.00 H new ATOM 0 HD11 LEU A 44 65.615 -2.897 6.663 1.00 0.00 H new ATOM 0 HD12 LEU A 44 67.051 -1.993 7.200 1.00 0.00 H new ATOM 0 HD13 LEU A 44 66.092 -1.403 5.822 1.00 0.00 H new ATOM 0 HD21 LEU A 44 65.654 -4.130 4.492 1.00 0.00 H new ATOM 0 HD22 LEU A 44 66.134 -2.638 3.648 1.00 0.00 H new ATOM 0 HD23 LEU A 44 67.119 -4.111 3.483 1.00 0.00 H new ATOM 634 N ALA A 45 71.352 -1.727 3.569 1.00 0.00 N ATOM 635 CA ALA A 45 72.204 -0.919 2.659 1.00 0.00 C ATOM 636 C ALA A 45 72.911 -1.840 1.668 1.00 0.00 C ATOM 637 O ALA A 45 73.130 -1.487 0.526 1.00 0.00 O ATOM 638 CB ALA A 45 73.215 -0.228 3.574 1.00 0.00 C ATOM 0 H ALA A 45 71.675 -1.776 4.535 1.00 0.00 H new ATOM 0 HA ALA A 45 71.632 -0.197 2.076 1.00 0.00 H new ATOM 0 HB1 ALA A 45 73.884 0.391 2.976 1.00 0.00 H new ATOM 0 HB2 ALA A 45 72.687 0.399 4.292 1.00 0.00 H new ATOM 0 HB3 ALA A 45 73.796 -0.980 4.107 1.00 0.00 H new ATOM 644 N GLN A 46 73.270 -3.022 2.091 1.00 0.00 N ATOM 645 CA GLN A 46 73.961 -3.955 1.155 1.00 0.00 C ATOM 646 C GLN A 46 72.977 -4.485 0.109 1.00 0.00 C ATOM 647 O GLN A 46 73.279 -4.544 -1.064 1.00 0.00 O ATOM 648 CB GLN A 46 74.478 -5.093 2.033 1.00 0.00 C ATOM 649 CG GLN A 46 75.752 -4.646 2.750 1.00 0.00 C ATOM 650 CD GLN A 46 76.677 -5.849 2.944 1.00 0.00 C ATOM 651 OE1 GLN A 46 76.329 -6.960 2.596 1.00 0.00 O ATOM 652 NE2 GLN A 46 77.848 -5.674 3.492 1.00 0.00 N ATOM 0 H GLN A 46 73.117 -3.379 3.034 1.00 0.00 H new ATOM 0 HA GLN A 46 74.768 -3.466 0.609 1.00 0.00 H new ATOM 0 HB2 GLN A 46 73.719 -5.378 2.762 1.00 0.00 H new ATOM 0 HB3 GLN A 46 74.681 -5.973 1.423 1.00 0.00 H new ATOM 0 HG2 GLN A 46 76.258 -3.875 2.169 1.00 0.00 H new ATOM 0 HG3 GLN A 46 75.503 -4.206 3.716 1.00 0.00 H new ATOM 0 HE21 GLN A 46 78.140 -4.741 3.784 1.00 0.00 H new ATOM 0 HE22 GLN A 46 78.471 -6.470 3.628 1.00 0.00 H new ATOM 661 N ARG A 47 71.802 -4.869 0.523 1.00 0.00 N ATOM 662 CA ARG A 47 70.808 -5.390 -0.458 1.00 0.00 C ATOM 663 C ARG A 47 70.238 -4.242 -1.289 1.00 0.00 C ATOM 664 O ARG A 47 69.709 -4.449 -2.360 1.00 0.00 O ATOM 665 CB ARG A 47 69.708 -6.035 0.386 1.00 0.00 C ATOM 666 CG ARG A 47 70.294 -7.197 1.189 1.00 0.00 C ATOM 667 CD ARG A 47 70.895 -8.227 0.230 1.00 0.00 C ATOM 668 NE ARG A 47 70.857 -9.514 0.978 1.00 0.00 N ATOM 669 CZ ARG A 47 71.317 -10.605 0.427 1.00 0.00 C ATOM 670 NH1 ARG A 47 71.811 -10.572 -0.782 1.00 0.00 N ATOM 671 NH2 ARG A 47 71.278 -11.731 1.084 1.00 0.00 N ATOM 0 H ARG A 47 71.487 -4.845 1.493 1.00 0.00 H new ATOM 0 HA ARG A 47 71.253 -6.100 -1.155 1.00 0.00 H new ATOM 0 HB2 ARG A 47 69.272 -5.297 1.060 1.00 0.00 H new ATOM 0 HB3 ARG A 47 68.904 -6.393 -0.257 1.00 0.00 H new ATOM 0 HG2 ARG A 47 71.060 -6.831 1.873 1.00 0.00 H new ATOM 0 HG3 ARG A 47 69.518 -7.660 1.798 1.00 0.00 H new ATOM 0 HD2 ARG A 47 70.320 -8.290 -0.694 1.00 0.00 H new ATOM 0 HD3 ARG A 47 71.915 -7.961 -0.047 1.00 0.00 H new ATOM 0 HE ARG A 47 70.471 -9.543 1.922 1.00 0.00 H new ATOM 0 HH11 ARG A 47 71.838 -9.693 -1.298 1.00 0.00 H new ATOM 0 HH12 ARG A 47 72.170 -11.426 -1.210 1.00 0.00 H new ATOM 0 HH21 ARG A 47 70.889 -11.758 2.026 1.00 0.00 H new ATOM 0 HH22 ARG A 47 71.637 -12.584 0.655 1.00 0.00 H new ATOM 685 N ILE A 48 70.340 -3.034 -0.806 1.00 0.00 N ATOM 686 CA ILE A 48 69.797 -1.882 -1.581 1.00 0.00 C ATOM 687 C ILE A 48 70.786 -1.465 -2.675 1.00 0.00 C ATOM 688 O ILE A 48 70.393 -1.002 -3.726 1.00 0.00 O ATOM 689 CB ILE A 48 69.614 -0.758 -0.559 1.00 0.00 C ATOM 690 CG1 ILE A 48 68.384 -1.051 0.306 1.00 0.00 C ATOM 691 CG2 ILE A 48 69.413 0.571 -1.290 1.00 0.00 C ATOM 692 CD1 ILE A 48 68.430 -0.181 1.563 1.00 0.00 C ATOM 0 H ILE A 48 70.773 -2.795 0.086 1.00 0.00 H new ATOM 0 HA ILE A 48 68.860 -2.128 -2.080 1.00 0.00 H new ATOM 0 HB ILE A 48 70.500 -0.696 0.073 1.00 0.00 H new ATOM 0 HG12 ILE A 48 67.473 -0.848 -0.257 1.00 0.00 H new ATOM 0 HG13 ILE A 48 68.361 -2.106 0.581 1.00 0.00 H new ATOM 0 HG21 ILE A 48 69.283 1.371 -0.561 1.00 0.00 H new ATOM 0 HG22 ILE A 48 70.286 0.782 -1.908 1.00 0.00 H new ATOM 0 HG23 ILE A 48 68.527 0.508 -1.922 1.00 0.00 H new ATOM 0 HD11 ILE A 48 67.556 -0.387 2.181 1.00 0.00 H new ATOM 0 HD12 ILE A 48 69.335 -0.406 2.128 1.00 0.00 H new ATOM 0 HD13 ILE A 48 68.432 0.871 1.278 1.00 0.00 H new ATOM 704 N LYS A 49 72.064 -1.625 -2.446 1.00 0.00 N ATOM 705 CA LYS A 49 73.050 -1.234 -3.494 1.00 0.00 C ATOM 706 C LYS A 49 73.299 -2.410 -4.441 1.00 0.00 C ATOM 707 O LYS A 49 73.761 -2.240 -5.553 1.00 0.00 O ATOM 708 CB LYS A 49 74.330 -0.876 -2.735 1.00 0.00 C ATOM 709 CG LYS A 49 75.447 -0.577 -3.739 1.00 0.00 C ATOM 710 CD LYS A 49 76.671 -0.035 -3.000 1.00 0.00 C ATOM 711 CE LYS A 49 77.389 0.987 -3.885 1.00 0.00 C ATOM 712 NZ LYS A 49 78.418 1.604 -3.002 1.00 0.00 N ATOM 0 H LYS A 49 72.463 -2.005 -1.588 1.00 0.00 H new ATOM 0 HA LYS A 49 72.697 -0.400 -4.101 1.00 0.00 H new ATOM 0 HB2 LYS A 49 74.158 -0.009 -2.097 1.00 0.00 H new ATOM 0 HB3 LYS A 49 74.622 -1.699 -2.083 1.00 0.00 H new ATOM 0 HG2 LYS A 49 75.711 -1.483 -4.285 1.00 0.00 H new ATOM 0 HG3 LYS A 49 75.103 0.150 -4.475 1.00 0.00 H new ATOM 0 HD2 LYS A 49 76.367 0.430 -2.062 1.00 0.00 H new ATOM 0 HD3 LYS A 49 77.347 -0.851 -2.746 1.00 0.00 H new ATOM 0 HE2 LYS A 49 77.847 0.508 -4.750 1.00 0.00 H new ATOM 0 HE3 LYS A 49 76.695 1.736 -4.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 78.825 2.438 -3.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 77.978 1.893 -2.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 79.171 0.913 -2.811 1.00 0.00 H new ATOM 726 N ASN A 50 72.996 -3.601 -4.007 1.00 0.00 N ATOM 727 CA ASN A 50 73.210 -4.793 -4.877 1.00 0.00 C ATOM 728 C ASN A 50 71.866 -5.423 -5.248 1.00 0.00 C ATOM 729 O ASN A 50 71.799 -6.349 -6.030 1.00 0.00 O ATOM 730 CB ASN A 50 74.032 -5.761 -4.024 1.00 0.00 C ATOM 731 CG ASN A 50 74.975 -6.563 -4.924 1.00 0.00 C ATOM 732 OD1 ASN A 50 75.364 -6.104 -5.978 1.00 0.00 O ATOM 733 ND2 ASN A 50 75.358 -7.753 -4.548 1.00 0.00 N ATOM 0 H ASN A 50 72.608 -3.802 -3.085 1.00 0.00 H new ATOM 0 HA ASN A 50 73.713 -4.538 -5.810 1.00 0.00 H new ATOM 0 HB2 ASN A 50 74.605 -5.209 -3.279 1.00 0.00 H new ATOM 0 HB3 ASN A 50 73.370 -6.435 -3.481 1.00 0.00 H new ATOM 0 HD21 ASN A 50 75.985 -8.298 -5.140 1.00 0.00 H new ATOM 0 HD22 ASN A 50 75.031 -8.138 -3.662 1.00 0.00 H new ATOM 740 N GLY A 51 70.794 -4.933 -4.686 1.00 0.00 N ATOM 741 CA GLY A 51 69.460 -5.515 -5.004 1.00 0.00 C ATOM 742 C GLY A 51 69.484 -7.005 -4.661 1.00 0.00 C ATOM 743 O GLY A 51 70.540 -7.585 -4.503 1.00 0.00 O ATOM 0 H GLY A 51 70.785 -4.158 -4.023 1.00 0.00 H new ATOM 0 HA2 GLY A 51 68.681 -5.008 -4.435 1.00 0.00 H new ATOM 0 HA3 GLY A 51 69.227 -5.373 -6.059 1.00 0.00 H new ATOM 747 N SER A 52 68.350 -7.646 -4.536 1.00 0.00 N ATOM 748 CA SER A 52 68.404 -9.107 -4.197 1.00 0.00 C ATOM 749 C SER A 52 67.011 -9.719 -4.021 1.00 0.00 C ATOM 750 O SER A 52 66.036 -9.029 -3.808 1.00 0.00 O ATOM 751 CB SER A 52 69.171 -9.170 -2.877 1.00 0.00 C ATOM 752 OG SER A 52 68.700 -10.273 -2.112 1.00 0.00 O ATOM 0 H SER A 52 67.420 -7.243 -4.648 1.00 0.00 H new ATOM 0 HA SER A 52 68.876 -9.674 -4.999 1.00 0.00 H new ATOM 0 HB2 SER A 52 70.239 -9.275 -3.068 1.00 0.00 H new ATOM 0 HB3 SER A 52 69.036 -8.243 -2.320 1.00 0.00 H new ATOM 0 HG SER A 52 69.191 -10.317 -1.265 1.00 0.00 H new ATOM 758 N GLN A 53 66.930 -11.028 -4.099 1.00 0.00 N ATOM 759 CA GLN A 53 65.618 -11.724 -3.934 1.00 0.00 C ATOM 760 C GLN A 53 65.591 -12.483 -2.596 1.00 0.00 C ATOM 761 O GLN A 53 66.507 -12.390 -1.803 1.00 0.00 O ATOM 762 CB GLN A 53 65.520 -12.676 -5.150 1.00 0.00 C ATOM 763 CG GLN A 53 65.728 -14.143 -4.748 1.00 0.00 C ATOM 764 CD GLN A 53 67.105 -14.305 -4.100 1.00 0.00 C ATOM 765 OE1 GLN A 53 67.209 -14.518 -2.908 1.00 0.00 O ATOM 766 NE2 GLN A 53 68.175 -14.213 -4.841 1.00 0.00 N ATOM 0 H GLN A 53 67.724 -11.645 -4.271 1.00 0.00 H new ATOM 0 HA GLN A 53 64.770 -11.040 -3.906 1.00 0.00 H new ATOM 0 HB2 GLN A 53 64.543 -12.564 -5.621 1.00 0.00 H new ATOM 0 HB3 GLN A 53 66.266 -12.394 -5.893 1.00 0.00 H new ATOM 0 HG2 GLN A 53 64.948 -14.455 -4.053 1.00 0.00 H new ATOM 0 HG3 GLN A 53 65.649 -14.786 -5.625 1.00 0.00 H new ATOM 0 HE21 GLN A 53 68.089 -14.034 -5.842 1.00 0.00 H new ATOM 0 HE22 GLN A 53 69.098 -14.320 -4.420 1.00 0.00 H new ATOM 775 N GLY A 54 64.548 -13.228 -2.341 1.00 0.00 N ATOM 776 CA GLY A 54 64.467 -13.981 -1.058 1.00 0.00 C ATOM 777 C GLY A 54 64.288 -12.989 0.088 1.00 0.00 C ATOM 778 O GLY A 54 64.492 -13.306 1.244 1.00 0.00 O ATOM 0 H GLY A 54 63.750 -13.347 -2.966 1.00 0.00 H new ATOM 0 HA2 GLY A 54 63.632 -14.681 -1.084 1.00 0.00 H new ATOM 0 HA3 GLY A 54 65.372 -14.570 -0.909 1.00 0.00 H new ATOM 782 N VAL A 55 63.909 -11.785 -0.232 1.00 0.00 N ATOM 783 CA VAL A 55 63.711 -10.751 0.818 1.00 0.00 C ATOM 784 C VAL A 55 62.226 -10.654 1.174 1.00 0.00 C ATOM 785 O VAL A 55 61.829 -10.884 2.299 1.00 0.00 O ATOM 786 CB VAL A 55 64.204 -9.461 0.166 1.00 0.00 C ATOM 787 CG1 VAL A 55 64.010 -8.287 1.121 1.00 0.00 C ATOM 788 CG2 VAL A 55 65.688 -9.605 -0.170 1.00 0.00 C ATOM 0 H VAL A 55 63.726 -11.471 -1.185 1.00 0.00 H new ATOM 0 HA VAL A 55 64.241 -10.970 1.745 1.00 0.00 H new ATOM 0 HB VAL A 55 63.634 -9.276 -0.745 1.00 0.00 H new ATOM 0 HG11 VAL A 55 64.364 -7.371 0.648 1.00 0.00 H new ATOM 0 HG12 VAL A 55 62.952 -8.185 1.362 1.00 0.00 H new ATOM 0 HG13 VAL A 55 64.575 -8.465 2.036 1.00 0.00 H new ATOM 0 HG21 VAL A 55 66.046 -8.687 -0.636 1.00 0.00 H new ATOM 0 HG22 VAL A 55 66.252 -9.792 0.744 1.00 0.00 H new ATOM 0 HG23 VAL A 55 65.826 -10.439 -0.858 1.00 0.00 H new ATOM 798 N TRP A 56 61.406 -10.321 0.218 1.00 0.00 N ATOM 799 CA TRP A 56 59.948 -10.213 0.478 1.00 0.00 C ATOM 800 C TRP A 56 59.199 -11.225 -0.391 1.00 0.00 C ATOM 801 O TRP A 56 58.252 -11.855 0.036 1.00 0.00 O ATOM 802 CB TRP A 56 59.595 -8.790 0.063 1.00 0.00 C ATOM 803 CG TRP A 56 60.204 -7.821 1.025 1.00 0.00 C ATOM 804 CD1 TRP A 56 61.296 -7.063 0.775 1.00 0.00 C ATOM 805 CD2 TRP A 56 59.778 -7.490 2.378 1.00 0.00 C ATOM 806 NE1 TRP A 56 61.568 -6.288 1.888 1.00 0.00 N ATOM 807 CE2 TRP A 56 60.659 -6.514 2.902 1.00 0.00 C ATOM 808 CE3 TRP A 56 58.722 -7.936 3.193 1.00 0.00 C ATOM 809 CZ2 TRP A 56 60.500 -6.001 4.191 1.00 0.00 C ATOM 810 CZ3 TRP A 56 58.559 -7.422 4.490 1.00 0.00 C ATOM 811 CH2 TRP A 56 59.445 -6.456 4.986 1.00 0.00 C ATOM 0 H TRP A 56 61.688 -10.117 -0.741 1.00 0.00 H new ATOM 0 HA TRP A 56 59.682 -10.417 1.515 1.00 0.00 H new ATOM 0 HB2 TRP A 56 59.959 -8.594 -0.946 1.00 0.00 H new ATOM 0 HB3 TRP A 56 58.512 -8.665 0.041 1.00 0.00 H new ATOM 0 HD1 TRP A 56 61.863 -7.063 -0.144 1.00 0.00 H new ATOM 0 HE1 TRP A 56 62.345 -5.630 1.952 1.00 0.00 H new ATOM 0 HE3 TRP A 56 58.032 -8.678 2.819 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 61.187 -5.259 4.570 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 57.746 -7.773 5.109 1.00 0.00 H new ATOM 0 HH2 TRP A 56 59.312 -6.063 5.983 1.00 0.00 H new ATOM 822 N GLY A 57 59.630 -11.382 -1.611 1.00 0.00 N ATOM 823 CA GLY A 57 58.968 -12.347 -2.530 1.00 0.00 C ATOM 824 C GLY A 57 59.909 -12.642 -3.702 1.00 0.00 C ATOM 825 O GLY A 57 61.078 -12.314 -3.648 1.00 0.00 O ATOM 0 H GLY A 57 60.420 -10.878 -2.014 1.00 0.00 H new ATOM 0 HA2 GLY A 57 58.727 -13.268 -1.999 1.00 0.00 H new ATOM 0 HA3 GLY A 57 58.028 -11.935 -2.896 1.00 0.00 H new ATOM 829 N PRO A 58 59.372 -13.250 -4.732 1.00 0.00 N ATOM 830 CA PRO A 58 60.177 -13.590 -5.934 1.00 0.00 C ATOM 831 C PRO A 58 60.558 -12.335 -6.745 1.00 0.00 C ATOM 832 O PRO A 58 61.006 -12.438 -7.869 1.00 0.00 O ATOM 833 CB PRO A 58 59.210 -14.463 -6.742 1.00 0.00 C ATOM 834 CG PRO A 58 57.878 -14.568 -5.975 1.00 0.00 C ATOM 835 CD PRO A 58 57.947 -13.651 -4.747 1.00 0.00 C ATOM 0 HA PRO A 58 61.122 -14.073 -5.685 1.00 0.00 H new ATOM 0 HB2 PRO A 58 59.045 -14.030 -7.728 1.00 0.00 H new ATOM 0 HB3 PRO A 58 59.636 -15.454 -6.897 1.00 0.00 H new ATOM 0 HG2 PRO A 58 57.047 -14.277 -6.618 1.00 0.00 H new ATOM 0 HG3 PRO A 58 57.698 -15.598 -5.668 1.00 0.00 H new ATOM 0 HD2 PRO A 58 57.284 -12.791 -4.844 1.00 0.00 H new ATOM 0 HD3 PRO A 58 57.662 -14.173 -3.833 1.00 0.00 H new ATOM 843 N ILE A 59 60.380 -11.155 -6.203 1.00 0.00 N ATOM 844 CA ILE A 59 60.738 -9.924 -6.971 1.00 0.00 C ATOM 845 C ILE A 59 61.977 -9.256 -6.364 1.00 0.00 C ATOM 846 O ILE A 59 61.860 -8.276 -5.654 1.00 0.00 O ATOM 847 CB ILE A 59 59.529 -8.999 -6.835 1.00 0.00 C ATOM 848 CG1 ILE A 59 58.240 -9.790 -7.063 1.00 0.00 C ATOM 849 CG2 ILE A 59 59.626 -7.880 -7.873 1.00 0.00 C ATOM 850 CD1 ILE A 59 57.054 -8.823 -7.084 1.00 0.00 C ATOM 0 H ILE A 59 60.005 -10.992 -5.269 1.00 0.00 H new ATOM 0 HA ILE A 59 60.970 -10.150 -8.012 1.00 0.00 H new ATOM 0 HB ILE A 59 59.516 -8.572 -5.832 1.00 0.00 H new ATOM 0 HG12 ILE A 59 58.296 -10.336 -8.005 1.00 0.00 H new ATOM 0 HG13 ILE A 59 58.108 -10.529 -6.273 1.00 0.00 H new ATOM 0 HG21 ILE A 59 58.764 -7.219 -7.777 1.00 0.00 H new ATOM 0 HG22 ILE A 59 60.540 -7.310 -7.709 1.00 0.00 H new ATOM 0 HG23 ILE A 59 59.642 -8.312 -8.874 1.00 0.00 H new ATOM 0 HD11 ILE A 59 56.132 -9.381 -7.246 1.00 0.00 H new ATOM 0 HD12 ILE A 59 56.997 -8.297 -6.131 1.00 0.00 H new ATOM 0 HD13 ILE A 59 57.187 -8.101 -7.890 1.00 0.00 H new ATOM 862 N PRO A 60 63.131 -9.799 -6.663 1.00 0.00 N ATOM 863 CA PRO A 60 64.393 -9.236 -6.137 1.00 0.00 C ATOM 864 C PRO A 60 64.566 -7.785 -6.575 1.00 0.00 C ATOM 865 O PRO A 60 64.277 -7.430 -7.701 1.00 0.00 O ATOM 866 CB PRO A 60 65.458 -10.113 -6.797 1.00 0.00 C ATOM 867 CG PRO A 60 64.758 -11.159 -7.684 1.00 0.00 C ATOM 868 CD PRO A 60 63.240 -10.995 -7.530 1.00 0.00 C ATOM 0 HA PRO A 60 64.437 -9.233 -5.048 1.00 0.00 H new ATOM 0 HB2 PRO A 60 66.133 -9.501 -7.396 1.00 0.00 H new ATOM 0 HB3 PRO A 60 66.064 -10.607 -6.038 1.00 0.00 H new ATOM 0 HG2 PRO A 60 65.049 -11.027 -8.726 1.00 0.00 H new ATOM 0 HG3 PRO A 60 65.061 -12.165 -7.394 1.00 0.00 H new ATOM 0 HD2 PRO A 60 62.749 -10.845 -8.491 1.00 0.00 H new ATOM 0 HD3 PRO A 60 62.782 -11.871 -7.071 1.00 0.00 H new ATOM 876 N MET A 61 65.054 -6.948 -5.707 1.00 0.00 N ATOM 877 CA MET A 61 65.260 -5.531 -6.098 1.00 0.00 C ATOM 878 C MET A 61 66.455 -5.432 -7.044 1.00 0.00 C ATOM 879 O MET A 61 67.480 -6.025 -6.780 1.00 0.00 O ATOM 880 CB MET A 61 65.589 -4.804 -4.802 1.00 0.00 C ATOM 881 CG MET A 61 66.082 -3.392 -5.134 1.00 0.00 C ATOM 882 SD MET A 61 66.321 -2.439 -3.612 1.00 0.00 S ATOM 883 CE MET A 61 66.909 -3.793 -2.571 1.00 0.00 C ATOM 0 H MET A 61 65.317 -7.182 -4.750 1.00 0.00 H new ATOM 0 HA MET A 61 64.388 -5.113 -6.601 1.00 0.00 H new ATOM 0 HB2 MET A 61 64.707 -4.754 -4.164 1.00 0.00 H new ATOM 0 HB3 MET A 61 66.353 -5.349 -4.248 1.00 0.00 H new ATOM 0 HG2 MET A 61 67.019 -3.447 -5.688 1.00 0.00 H new ATOM 0 HG3 MET A 61 65.360 -2.889 -5.777 1.00 0.00 H new ATOM 0 HE1 MET A 61 67.382 -3.386 -1.678 1.00 0.00 H new ATOM 0 HE2 MET A 61 66.067 -4.421 -2.281 1.00 0.00 H new ATOM 0 HE3 MET A 61 67.633 -4.390 -3.125 1.00 0.00 H new ATOM 893 N PRO A 62 66.304 -4.672 -8.101 1.00 0.00 N ATOM 894 CA PRO A 62 67.416 -4.486 -9.056 1.00 0.00 C ATOM 895 C PRO A 62 68.514 -3.655 -8.378 1.00 0.00 C ATOM 896 O PRO A 62 68.216 -2.672 -7.733 1.00 0.00 O ATOM 897 CB PRO A 62 66.753 -3.697 -10.191 1.00 0.00 C ATOM 898 CG PRO A 62 65.274 -3.459 -9.827 1.00 0.00 C ATOM 899 CD PRO A 62 65.032 -3.978 -8.405 1.00 0.00 C ATOM 0 HA PRO A 62 67.882 -5.409 -9.401 1.00 0.00 H new ATOM 0 HB2 PRO A 62 67.264 -2.746 -10.339 1.00 0.00 H new ATOM 0 HB3 PRO A 62 66.828 -4.248 -11.129 1.00 0.00 H new ATOM 0 HG2 PRO A 62 65.035 -2.397 -9.888 1.00 0.00 H new ATOM 0 HG3 PRO A 62 64.623 -3.973 -10.534 1.00 0.00 H new ATOM 0 HD2 PRO A 62 64.834 -3.167 -7.704 1.00 0.00 H new ATOM 0 HD3 PRO A 62 64.179 -4.655 -8.359 1.00 0.00 H new ATOM 907 N PRO A 63 69.745 -4.068 -8.529 1.00 0.00 N ATOM 908 CA PRO A 63 70.864 -3.329 -7.898 1.00 0.00 C ATOM 909 C PRO A 63 70.897 -1.882 -8.398 1.00 0.00 C ATOM 910 O PRO A 63 70.525 -1.594 -9.517 1.00 0.00 O ATOM 911 CB PRO A 63 72.093 -4.113 -8.368 1.00 0.00 C ATOM 912 CG PRO A 63 71.623 -5.282 -9.258 1.00 0.00 C ATOM 913 CD PRO A 63 70.090 -5.267 -9.325 1.00 0.00 C ATOM 0 HA PRO A 63 70.793 -3.262 -6.812 1.00 0.00 H new ATOM 0 HB2 PRO A 63 72.767 -3.461 -8.925 1.00 0.00 H new ATOM 0 HB3 PRO A 63 72.651 -4.491 -7.511 1.00 0.00 H new ATOM 0 HG2 PRO A 63 72.045 -5.188 -10.258 1.00 0.00 H new ATOM 0 HG3 PRO A 63 71.974 -6.231 -8.851 1.00 0.00 H new ATOM 0 HD2 PRO A 63 69.730 -5.190 -10.351 1.00 0.00 H new ATOM 0 HD3 PRO A 63 69.657 -6.173 -8.902 1.00 0.00 H new ATOM 921 N ASN A 64 71.330 -0.968 -7.572 1.00 0.00 N ATOM 922 CA ASN A 64 71.377 0.461 -8.002 1.00 0.00 C ATOM 923 C ASN A 64 72.767 1.048 -7.757 1.00 0.00 C ATOM 924 O ASN A 64 73.623 0.421 -7.164 1.00 0.00 O ATOM 925 CB ASN A 64 70.346 1.174 -7.126 1.00 0.00 C ATOM 926 CG ASN A 64 69.064 0.345 -7.056 1.00 0.00 C ATOM 927 OD1 ASN A 64 69.020 -0.698 -6.274 1.00 0.00 O flip ATOM 928 ND2 ASN A 64 68.091 0.651 -7.717 1.00 0.00 N flip ATOM 0 H ASN A 64 71.652 -1.147 -6.621 1.00 0.00 H new ATOM 0 HA ASN A 64 71.165 0.572 -9.065 1.00 0.00 H new ATOM 0 HB2 ASN A 64 70.748 1.324 -6.124 1.00 0.00 H new ATOM 0 HB3 ASN A 64 70.130 2.161 -7.534 1.00 0.00 H new ATOM 0 HD21 ASN A 64 68.126 1.467 -8.328 1.00 0.00 H new ATOM 0 HD22 ASN A 64 67.240 0.092 -7.660 1.00 0.00 H new ATOM 935 N ALA A 65 72.993 2.255 -8.200 1.00 0.00 N ATOM 936 CA ALA A 65 74.322 2.894 -7.984 1.00 0.00 C ATOM 937 C ALA A 65 74.269 3.783 -6.740 1.00 0.00 C ATOM 938 O ALA A 65 74.885 4.828 -6.680 1.00 0.00 O ATOM 939 CB ALA A 65 74.568 3.732 -9.240 1.00 0.00 C ATOM 0 H ALA A 65 72.314 2.826 -8.703 1.00 0.00 H new ATOM 0 HA ALA A 65 75.118 2.166 -7.825 1.00 0.00 H new ATOM 0 HB1 ALA A 65 75.531 4.236 -9.158 1.00 0.00 H new ATOM 0 HB2 ALA A 65 74.572 3.083 -10.116 1.00 0.00 H new ATOM 0 HB3 ALA A 65 73.777 4.475 -9.343 1.00 0.00 H new ATOM 945 N VAL A 66 73.531 3.371 -5.747 1.00 0.00 N ATOM 946 CA VAL A 66 73.423 4.183 -4.501 1.00 0.00 C ATOM 947 C VAL A 66 74.718 4.085 -3.689 1.00 0.00 C ATOM 948 O VAL A 66 74.970 3.096 -3.031 1.00 0.00 O ATOM 949 CB VAL A 66 72.261 3.558 -3.727 1.00 0.00 C ATOM 950 CG1 VAL A 66 70.997 3.595 -4.588 1.00 0.00 C ATOM 951 CG2 VAL A 66 72.599 2.105 -3.387 1.00 0.00 C ATOM 0 H VAL A 66 72.995 2.503 -5.744 1.00 0.00 H new ATOM 0 HA VAL A 66 73.258 5.240 -4.709 1.00 0.00 H new ATOM 0 HB VAL A 66 72.093 4.119 -2.808 1.00 0.00 H new ATOM 0 HG11 VAL A 66 70.168 3.150 -4.037 1.00 0.00 H new ATOM 0 HG12 VAL A 66 70.755 4.629 -4.835 1.00 0.00 H new ATOM 0 HG13 VAL A 66 71.166 3.033 -5.506 1.00 0.00 H new ATOM 0 HG21 VAL A 66 71.772 1.658 -2.835 1.00 0.00 H new ATOM 0 HG22 VAL A 66 72.766 1.545 -4.307 1.00 0.00 H new ATOM 0 HG23 VAL A 66 73.501 2.075 -2.776 1.00 0.00 H new ATOM 961 N SER A 67 75.537 5.105 -3.722 1.00 0.00 N ATOM 962 CA SER A 67 76.805 5.060 -2.937 1.00 0.00 C ATOM 963 C SER A 67 76.522 4.481 -1.551 1.00 0.00 C ATOM 964 O SER A 67 75.388 4.407 -1.127 1.00 0.00 O ATOM 965 CB SER A 67 77.264 6.514 -2.832 1.00 0.00 C ATOM 966 OG SER A 67 77.651 6.788 -1.492 1.00 0.00 O ATOM 0 H SER A 67 75.383 5.961 -4.255 1.00 0.00 H new ATOM 0 HA SER A 67 77.567 4.435 -3.403 1.00 0.00 H new ATOM 0 HB2 SER A 67 78.100 6.693 -3.508 1.00 0.00 H new ATOM 0 HB3 SER A 67 76.460 7.184 -3.135 1.00 0.00 H new ATOM 0 HG SER A 67 76.951 7.313 -1.050 1.00 0.00 H new ATOM 972 N ASP A 68 77.532 4.064 -0.842 1.00 0.00 N ATOM 973 CA ASP A 68 77.291 3.488 0.511 1.00 0.00 C ATOM 974 C ASP A 68 76.433 4.443 1.345 1.00 0.00 C ATOM 975 O ASP A 68 75.296 4.154 1.660 1.00 0.00 O ATOM 976 CB ASP A 68 78.679 3.326 1.132 1.00 0.00 C ATOM 977 CG ASP A 68 78.750 1.993 1.878 1.00 0.00 C ATOM 978 OD1 ASP A 68 78.497 0.975 1.256 1.00 0.00 O ATOM 979 OD2 ASP A 68 79.055 2.012 3.060 1.00 0.00 O ATOM 0 H ASP A 68 78.508 4.096 -1.137 1.00 0.00 H new ATOM 0 HA ASP A 68 76.757 2.539 0.466 1.00 0.00 H new ATOM 0 HB2 ASP A 68 79.443 3.362 0.356 1.00 0.00 H new ATOM 0 HB3 ASP A 68 78.881 4.150 1.817 1.00 0.00 H new ATOM 984 N ASP A 69 76.967 5.577 1.706 1.00 0.00 N ATOM 985 CA ASP A 69 76.176 6.544 2.521 1.00 0.00 C ATOM 986 C ASP A 69 74.807 6.786 1.878 1.00 0.00 C ATOM 987 O ASP A 69 73.872 7.216 2.527 1.00 0.00 O ATOM 988 CB ASP A 69 77.002 7.829 2.525 1.00 0.00 C ATOM 989 CG ASP A 69 77.561 8.070 3.929 1.00 0.00 C ATOM 990 OD1 ASP A 69 78.303 7.225 4.402 1.00 0.00 O ATOM 991 OD2 ASP A 69 77.236 9.093 4.507 1.00 0.00 O ATOM 0 H ASP A 69 77.914 5.876 1.473 1.00 0.00 H new ATOM 0 HA ASP A 69 75.990 6.176 3.530 1.00 0.00 H new ATOM 0 HB2 ASP A 69 77.817 7.753 1.805 1.00 0.00 H new ATOM 0 HB3 ASP A 69 76.384 8.673 2.218 1.00 0.00 H new ATOM 996 N GLU A 70 74.678 6.513 0.610 1.00 0.00 N ATOM 997 CA GLU A 70 73.370 6.729 -0.066 1.00 0.00 C ATOM 998 C GLU A 70 72.375 5.648 0.353 1.00 0.00 C ATOM 999 O GLU A 70 71.248 5.932 0.703 1.00 0.00 O ATOM 1000 CB GLU A 70 73.674 6.636 -1.562 1.00 0.00 C ATOM 1001 CG GLU A 70 73.489 8.010 -2.210 1.00 0.00 C ATOM 1002 CD GLU A 70 74.710 8.883 -1.915 1.00 0.00 C ATOM 1003 OE1 GLU A 70 75.564 8.438 -1.167 1.00 0.00 O ATOM 1004 OE2 GLU A 70 74.769 9.980 -2.443 1.00 0.00 O ATOM 0 H GLU A 70 75.421 6.150 0.013 1.00 0.00 H new ATOM 0 HA GLU A 70 72.922 7.688 0.196 1.00 0.00 H new ATOM 0 HB2 GLU A 70 74.695 6.285 -1.715 1.00 0.00 H new ATOM 0 HB3 GLU A 70 73.013 5.909 -2.033 1.00 0.00 H new ATOM 0 HG2 GLU A 70 73.358 7.901 -3.287 1.00 0.00 H new ATOM 0 HG3 GLU A 70 72.587 8.486 -1.826 1.00 0.00 H new ATOM 1011 N ALA A 71 72.781 4.413 0.331 1.00 0.00 N ATOM 1012 CA ALA A 71 71.853 3.322 0.740 1.00 0.00 C ATOM 1013 C ALA A 71 71.636 3.388 2.253 1.00 0.00 C ATOM 1014 O ALA A 71 70.700 2.824 2.785 1.00 0.00 O ATOM 1015 CB ALA A 71 72.565 2.026 0.350 1.00 0.00 C ATOM 0 H ALA A 71 73.713 4.110 0.048 1.00 0.00 H new ATOM 0 HA ALA A 71 70.875 3.396 0.265 1.00 0.00 H new ATOM 0 HB1 ALA A 71 71.942 1.173 0.620 1.00 0.00 H new ATOM 0 HB2 ALA A 71 72.744 2.019 -0.725 1.00 0.00 H new ATOM 0 HB3 ALA A 71 73.517 1.961 0.877 1.00 0.00 H new ATOM 1021 N GLN A 72 72.490 4.093 2.945 1.00 0.00 N ATOM 1022 CA GLN A 72 72.330 4.220 4.419 1.00 0.00 C ATOM 1023 C GLN A 72 71.199 5.198 4.705 1.00 0.00 C ATOM 1024 O GLN A 72 70.364 4.975 5.559 1.00 0.00 O ATOM 1025 CB GLN A 72 73.665 4.769 4.927 1.00 0.00 C ATOM 1026 CG GLN A 72 74.411 3.677 5.699 1.00 0.00 C ATOM 1027 CD GLN A 72 74.914 4.243 7.029 1.00 0.00 C ATOM 1028 OE1 GLN A 72 74.519 5.319 7.434 1.00 0.00 O ATOM 1029 NE2 GLN A 72 75.777 3.558 7.731 1.00 0.00 N ATOM 0 H GLN A 72 73.291 4.586 2.551 1.00 0.00 H new ATOM 0 HA GLN A 72 72.086 3.275 4.905 1.00 0.00 H new ATOM 0 HB2 GLN A 72 74.270 5.113 4.089 1.00 0.00 H new ATOM 0 HB3 GLN A 72 73.493 5.631 5.572 1.00 0.00 H new ATOM 0 HG2 GLN A 72 73.751 2.829 5.879 1.00 0.00 H new ATOM 0 HG3 GLN A 72 75.250 3.308 5.109 1.00 0.00 H new ATOM 0 HE21 GLN A 72 76.109 2.655 7.391 1.00 0.00 H new ATOM 0 HE22 GLN A 72 76.119 3.926 8.619 1.00 0.00 H new ATOM 1038 N THR A 73 71.154 6.273 3.968 1.00 0.00 N ATOM 1039 CA THR A 73 70.062 7.260 4.162 1.00 0.00 C ATOM 1040 C THR A 73 68.787 6.702 3.531 1.00 0.00 C ATOM 1041 O THR A 73 67.687 7.002 3.948 1.00 0.00 O ATOM 1042 CB THR A 73 70.524 8.520 3.430 1.00 0.00 C ATOM 1043 OG1 THR A 73 71.941 8.510 3.328 1.00 0.00 O ATOM 1044 CG2 THR A 73 70.076 9.759 4.207 1.00 0.00 C ATOM 0 H THR A 73 71.828 6.508 3.240 1.00 0.00 H new ATOM 0 HA THR A 73 69.853 7.471 5.211 1.00 0.00 H new ATOM 0 HB THR A 73 70.085 8.543 2.432 1.00 0.00 H new ATOM 0 HG1 THR A 73 72.206 8.062 2.497 1.00 0.00 H new ATOM 0 HG21 THR A 73 70.406 10.656 3.683 1.00 0.00 H new ATOM 0 HG22 THR A 73 68.989 9.765 4.287 1.00 0.00 H new ATOM 0 HG23 THR A 73 70.513 9.740 5.205 1.00 0.00 H new ATOM 1052 N LEU A 74 68.939 5.871 2.533 1.00 0.00 N ATOM 1053 CA LEU A 74 67.747 5.264 1.876 1.00 0.00 C ATOM 1054 C LEU A 74 67.127 4.234 2.820 1.00 0.00 C ATOM 1055 O LEU A 74 65.926 4.062 2.869 1.00 0.00 O ATOM 1056 CB LEU A 74 68.281 4.589 0.608 1.00 0.00 C ATOM 1057 CG LEU A 74 68.572 5.655 -0.451 1.00 0.00 C ATOM 1058 CD1 LEU A 74 68.993 4.982 -1.760 1.00 0.00 C ATOM 1059 CD2 LEU A 74 67.311 6.488 -0.693 1.00 0.00 C ATOM 0 H LEU A 74 69.839 5.587 2.145 1.00 0.00 H new ATOM 0 HA LEU A 74 66.977 5.997 1.636 1.00 0.00 H new ATOM 0 HB2 LEU A 74 69.188 4.029 0.835 1.00 0.00 H new ATOM 0 HB3 LEU A 74 67.551 3.873 0.229 1.00 0.00 H new ATOM 0 HG LEU A 74 69.378 6.300 -0.101 1.00 0.00 H new ATOM 0 HD11 LEU A 74 69.199 5.744 -2.511 1.00 0.00 H new ATOM 0 HD12 LEU A 74 69.891 4.387 -1.591 1.00 0.00 H new ATOM 0 HD13 LEU A 74 68.189 4.335 -2.111 1.00 0.00 H new ATOM 0 HD21 LEU A 74 67.516 7.248 -1.447 1.00 0.00 H new ATOM 0 HD22 LEU A 74 66.507 5.839 -1.041 1.00 0.00 H new ATOM 0 HD23 LEU A 74 67.010 6.971 0.237 1.00 0.00 H new ATOM 1071 N ALA A 75 67.944 3.558 3.584 1.00 0.00 N ATOM 1072 CA ALA A 75 67.408 2.551 4.541 1.00 0.00 C ATOM 1073 C ALA A 75 66.675 3.269 5.677 1.00 0.00 C ATOM 1074 O ALA A 75 65.547 2.949 6.000 1.00 0.00 O ATOM 1075 CB ALA A 75 68.636 1.810 5.070 1.00 0.00 C ATOM 0 H ALA A 75 68.959 3.661 3.585 1.00 0.00 H new ATOM 0 HA ALA A 75 66.698 1.865 4.079 1.00 0.00 H new ATOM 0 HB1 ALA A 75 68.322 1.049 5.784 1.00 0.00 H new ATOM 0 HB2 ALA A 75 69.160 1.336 4.240 1.00 0.00 H new ATOM 0 HB3 ALA A 75 69.303 2.517 5.564 1.00 0.00 H new ATOM 1081 N LYS A 76 67.298 4.250 6.274 1.00 0.00 N ATOM 1082 CA LYS A 76 66.620 4.994 7.371 1.00 0.00 C ATOM 1083 C LYS A 76 65.441 5.776 6.785 1.00 0.00 C ATOM 1084 O LYS A 76 64.482 6.080 7.465 1.00 0.00 O ATOM 1085 CB LYS A 76 67.684 5.939 7.944 1.00 0.00 C ATOM 1086 CG LYS A 76 67.856 7.153 7.028 1.00 0.00 C ATOM 1087 CD LYS A 76 68.926 8.082 7.607 1.00 0.00 C ATOM 1088 CE LYS A 76 68.637 8.337 9.088 1.00 0.00 C ATOM 1089 NZ LYS A 76 69.565 7.433 9.823 1.00 0.00 N ATOM 0 H LYS A 76 68.242 4.566 6.050 1.00 0.00 H new ATOM 0 HA LYS A 76 66.225 4.340 8.149 1.00 0.00 H new ATOM 0 HB2 LYS A 76 67.392 6.265 8.942 1.00 0.00 H new ATOM 0 HB3 LYS A 76 68.633 5.412 8.045 1.00 0.00 H new ATOM 0 HG2 LYS A 76 68.143 6.829 6.028 1.00 0.00 H new ATOM 0 HG3 LYS A 76 66.910 7.686 6.931 1.00 0.00 H new ATOM 0 HD2 LYS A 76 69.913 7.634 7.490 1.00 0.00 H new ATOM 0 HD3 LYS A 76 68.938 9.025 7.061 1.00 0.00 H new ATOM 0 HE2 LYS A 76 68.812 9.380 9.350 1.00 0.00 H new ATOM 0 HE3 LYS A 76 67.597 8.117 9.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 69.054 6.968 10.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 69.936 6.712 9.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 70.355 7.987 10.211 1.00 0.00 H new ATOM 1103 N TRP A 77 65.506 6.087 5.517 1.00 0.00 N ATOM 1104 CA TRP A 77 64.389 6.831 4.868 1.00 0.00 C ATOM 1105 C TRP A 77 63.179 5.907 4.729 1.00 0.00 C ATOM 1106 O TRP A 77 62.044 6.333 4.820 1.00 0.00 O ATOM 1107 CB TRP A 77 64.924 7.231 3.491 1.00 0.00 C ATOM 1108 CG TRP A 77 63.815 7.809 2.670 1.00 0.00 C ATOM 1109 CD1 TRP A 77 63.246 9.019 2.875 1.00 0.00 C ATOM 1110 CD2 TRP A 77 63.133 7.227 1.520 1.00 0.00 C ATOM 1111 NE1 TRP A 77 62.260 9.218 1.925 1.00 0.00 N ATOM 1112 CE2 TRP A 77 62.152 8.142 1.068 1.00 0.00 C ATOM 1113 CE3 TRP A 77 63.268 6.009 0.833 1.00 0.00 C ATOM 1114 CZ2 TRP A 77 61.335 7.858 -0.026 1.00 0.00 C ATOM 1115 CZ3 TRP A 77 62.447 5.718 -0.270 1.00 0.00 C ATOM 1116 CH2 TRP A 77 61.482 6.642 -0.698 1.00 0.00 C ATOM 0 H TRP A 77 66.287 5.857 4.902 1.00 0.00 H new ATOM 0 HA TRP A 77 64.071 7.701 5.442 1.00 0.00 H new ATOM 0 HB2 TRP A 77 65.727 7.960 3.599 1.00 0.00 H new ATOM 0 HB3 TRP A 77 65.348 6.362 2.988 1.00 0.00 H new ATOM 0 HD1 TRP A 77 63.517 9.716 3.654 1.00 0.00 H new ATOM 0 HE1 TRP A 77 61.684 10.057 1.865 1.00 0.00 H new ATOM 0 HE3 TRP A 77 64.008 5.291 1.155 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 60.594 8.573 -0.351 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 62.560 4.778 -0.791 1.00 0.00 H new ATOM 0 HH2 TRP A 77 60.853 6.414 -1.546 1.00 0.00 H new ATOM 1127 N ILE A 78 63.416 4.640 4.518 1.00 0.00 N ATOM 1128 CA ILE A 78 62.283 3.681 4.383 1.00 0.00 C ATOM 1129 C ILE A 78 61.596 3.504 5.738 1.00 0.00 C ATOM 1130 O ILE A 78 60.388 3.578 5.850 1.00 0.00 O ATOM 1131 CB ILE A 78 62.920 2.360 3.937 1.00 0.00 C ATOM 1132 CG1 ILE A 78 63.506 2.498 2.524 1.00 0.00 C ATOM 1133 CG2 ILE A 78 61.856 1.260 3.934 1.00 0.00 C ATOM 1134 CD1 ILE A 78 64.739 1.603 2.398 1.00 0.00 C ATOM 0 H ILE A 78 64.345 4.228 4.433 1.00 0.00 H new ATOM 0 HA ILE A 78 61.531 4.027 3.674 1.00 0.00 H new ATOM 0 HB ILE A 78 63.721 2.104 4.630 1.00 0.00 H new ATOM 0 HG12 ILE A 78 62.761 2.217 1.780 1.00 0.00 H new ATOM 0 HG13 ILE A 78 63.775 3.536 2.329 1.00 0.00 H new ATOM 0 HG21 ILE A 78 62.306 0.319 3.617 1.00 0.00 H new ATOM 0 HG22 ILE A 78 61.447 1.147 4.938 1.00 0.00 H new ATOM 0 HG23 ILE A 78 61.056 1.530 3.245 1.00 0.00 H new ATOM 0 HD11 ILE A 78 65.157 1.699 1.396 1.00 0.00 H new ATOM 0 HD12 ILE A 78 65.485 1.906 3.133 1.00 0.00 H new ATOM 0 HD13 ILE A 78 64.455 0.566 2.575 1.00 0.00 H new ATOM 1146 N LEU A 79 62.360 3.271 6.771 1.00 0.00 N ATOM 1147 CA LEU A 79 61.751 3.093 8.120 1.00 0.00 C ATOM 1148 C LEU A 79 61.249 4.438 8.645 1.00 0.00 C ATOM 1149 O LEU A 79 60.456 4.502 9.565 1.00 0.00 O ATOM 1150 CB LEU A 79 62.882 2.562 8.999 1.00 0.00 C ATOM 1151 CG LEU A 79 63.250 1.145 8.557 1.00 0.00 C ATOM 1152 CD1 LEU A 79 64.568 1.177 7.781 1.00 0.00 C ATOM 1153 CD2 LEU A 79 63.408 0.253 9.789 1.00 0.00 C ATOM 0 H LEU A 79 63.377 3.196 6.739 1.00 0.00 H new ATOM 0 HA LEU A 79 60.898 2.415 8.106 1.00 0.00 H new ATOM 0 HB2 LEU A 79 63.752 3.215 8.925 1.00 0.00 H new ATOM 0 HB3 LEU A 79 62.574 2.560 10.044 1.00 0.00 H new ATOM 0 HG LEU A 79 62.461 0.748 7.917 1.00 0.00 H new ATOM 0 HD11 LEU A 79 64.830 0.167 7.466 1.00 0.00 H new ATOM 0 HD12 LEU A 79 64.458 1.813 6.903 1.00 0.00 H new ATOM 0 HD13 LEU A 79 65.357 1.574 8.420 1.00 0.00 H new ATOM 0 HD21 LEU A 79 63.670 -0.757 9.475 1.00 0.00 H new ATOM 0 HD22 LEU A 79 64.197 0.651 10.428 1.00 0.00 H new ATOM 0 HD23 LEU A 79 62.470 0.229 10.343 1.00 0.00 H new ATOM 1165 N SER A 80 61.704 5.515 8.067 1.00 0.00 N ATOM 1166 CA SER A 80 61.252 6.857 8.533 1.00 0.00 C ATOM 1167 C SER A 80 59.990 7.281 7.779 1.00 0.00 C ATOM 1168 O SER A 80 59.314 8.215 8.163 1.00 0.00 O ATOM 1169 CB SER A 80 62.412 7.798 8.214 1.00 0.00 C ATOM 1170 OG SER A 80 63.341 7.776 9.288 1.00 0.00 O ATOM 0 H SER A 80 62.368 5.525 7.293 1.00 0.00 H new ATOM 0 HA SER A 80 61.003 6.864 9.594 1.00 0.00 H new ATOM 0 HB2 SER A 80 62.900 7.492 7.289 1.00 0.00 H new ATOM 0 HB3 SER A 80 62.042 8.811 8.059 1.00 0.00 H new ATOM 0 HG SER A 80 64.086 7.180 9.064 1.00 0.00 H new