USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 570 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 88 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 92 GLN : amide:sc= -2.97! X(o=-3!,f=-2.8) USER MOD Set 2.1: A 51 SER OG : rot -106:sc= 1.23 USER MOD Set 2.2: A 84 THR OG1 : rot -154:sc= -0.0344 USER MOD Set 2.3: A 85 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 3 HIS : no HD1:sc= -1.07 K(o=-1.1,f=0.16) USER MOD Set 3.2: A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= -1.58! USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot -84:sc= 1.67 USER MOD Single : A 16 MET CE :methyl -130:sc= -0.0817 (180deg=-1.43) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.192 X(o=-0.19,f=-0.17) USER MOD Single : A 27 MET CE :methyl -162:sc= 0 (180deg=-0.284) USER MOD Single : A 30 THR OG1 : rot 140:sc= -1.81! USER MOD Single : A 34 ASN : amide:sc= -3.43! C(o=-3.4!,f=-9.1!) USER MOD Single : A 37 SER OG : rot -100:sc= -0.204 USER MOD Single : A 39 GLN : amide:sc= -0.418 X(o=-0.42,f=-0.14) USER MOD Single : A 45 GLN : amide:sc= -0.157 K(o=-0.16,f=-1!) USER MOD Single : A 46 THR OG1 : rot 43:sc=0.000107 USER MOD Single : A 47 TYR OH : rot -116:sc= 0.823 USER MOD Single : A 50 ASN : amide:sc= -1.61 K(o=-1.6,f=-0.26!) USER MOD Single : A 52 ASN : amide:sc= -1.29! C(o=-1.3!,f=-2.2!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 30:sc= -0.563 USER MOD Single : A 63 ASN : amide:sc= -0.268 K(o=-0.27,f=-2.3!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 83:sc= 0.106 USER MOD Single : A 69 SER OG : rot 180:sc= -0.709 USER MOD Single : A 71 THR OG1 : rot 169:sc=-0.00602 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HE2:sc= -0.0184 K(o=-0.018,f=-1.7!) USER MOD Single : A 83 SER OG : rot 180:sc= -2.54! USER MOD Single : A 86 SER OG : rot 180:sc= 0.112 USER MOD Single : A 87 ASN : amide:sc= -1.3 K(o=-1.3,f=-1.9!) USER MOD Single : A 90 GLN : amide:sc= -0.241 K(o=-0.24,f=-1.2) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 73:sc= 0.818 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N HIS A 3 45.045 4.109 -41.365 1.00 0.00 N ATOM 32 CA HIS A 3 44.496 3.460 -40.182 1.00 0.00 C ATOM 33 C HIS A 3 45.095 4.050 -38.910 1.00 0.00 C ATOM 34 O HIS A 3 46.264 4.434 -38.882 1.00 0.00 O ATOM 35 CB HIS A 3 44.761 1.955 -40.234 1.00 0.00 C ATOM 36 CG HIS A 3 43.691 1.185 -40.942 1.00 0.00 C ATOM 37 ND1 HIS A 3 43.624 1.078 -42.315 1.00 0.00 N ATOM 38 CD2 HIS A 3 42.639 0.480 -40.460 1.00 0.00 C ATOM 39 CE1 HIS A 3 42.578 0.343 -42.647 1.00 0.00 C ATOM 40 NE2 HIS A 3 41.964 -0.033 -41.540 1.00 0.00 N ATOM 0 HA HIS A 3 43.420 3.633 -40.168 1.00 0.00 H new ATOM 0 HB2 HIS A 3 45.714 1.779 -40.732 1.00 0.00 H new ATOM 0 HB3 HIS A 3 44.858 1.576 -39.217 1.00 0.00 H new ATOM 0 HD2 HIS A 3 42.380 0.346 -39.420 1.00 0.00 H new ATOM 0 HE1 HIS A 3 42.276 0.092 -43.653 1.00 0.00 H new ATOM 0 HE2 HIS A 3 41.125 -0.611 -41.495 1.00 0.00 H new ATOM 49 N CYS A 4 44.284 4.123 -37.860 1.00 0.00 N ATOM 50 CA CYS A 4 44.734 4.671 -36.584 1.00 0.00 C ATOM 51 C CYS A 4 44.750 3.597 -35.499 1.00 0.00 C ATOM 52 O CYS A 4 43.734 2.962 -35.226 1.00 0.00 O ATOM 53 CB CYS A 4 43.828 5.828 -36.163 1.00 0.00 C ATOM 54 SG CYS A 4 42.161 5.763 -36.903 1.00 0.00 S ATOM 0 H CYS A 4 43.313 3.810 -37.866 1.00 0.00 H new ATOM 0 HA CYS A 4 45.752 5.039 -36.712 1.00 0.00 H new ATOM 0 HB2 CYS A 4 43.734 5.827 -35.077 1.00 0.00 H new ATOM 0 HB3 CYS A 4 44.303 6.769 -36.441 1.00 0.00 H new ATOM 59 N VAL A 5 45.909 3.403 -34.881 1.00 0.00 N ATOM 60 CA VAL A 5 46.056 2.410 -33.822 1.00 0.00 C ATOM 61 C VAL A 5 46.628 3.047 -32.559 1.00 0.00 C ATOM 62 O VAL A 5 47.535 3.877 -32.629 1.00 0.00 O ATOM 63 CB VAL A 5 46.971 1.251 -34.258 1.00 0.00 C ATOM 64 CG1 VAL A 5 46.791 0.052 -33.338 1.00 0.00 C ATOM 65 CG2 VAL A 5 46.695 0.868 -35.705 1.00 0.00 C ATOM 0 H VAL A 5 46.762 3.920 -35.095 1.00 0.00 H new ATOM 0 HA VAL A 5 45.062 2.015 -33.615 1.00 0.00 H new ATOM 0 HB VAL A 5 48.007 1.583 -34.185 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.446 -0.757 -33.662 1.00 0.00 H new ATOM 0 HG12 VAL A 5 47.044 0.336 -32.316 1.00 0.00 H new ATOM 0 HG13 VAL A 5 45.754 -0.283 -33.376 1.00 0.00 H new ATOM 0 HG21 VAL A 5 47.351 0.047 -35.996 1.00 0.00 H new ATOM 0 HG22 VAL A 5 45.656 0.555 -35.807 1.00 0.00 H new ATOM 0 HG23 VAL A 5 46.880 1.727 -36.350 1.00 0.00 H new ATOM 75 N THR A 6 46.092 2.658 -31.407 1.00 0.00 N ATOM 76 CA THR A 6 46.551 3.199 -30.133 1.00 0.00 C ATOM 77 C THR A 6 47.575 2.279 -29.476 1.00 0.00 C ATOM 78 O THR A 6 47.886 2.426 -28.294 1.00 0.00 O ATOM 79 CB THR A 6 45.377 3.417 -29.160 1.00 0.00 C ATOM 80 OG1 THR A 6 45.025 2.179 -28.531 1.00 0.00 O ATOM 81 CG2 THR A 6 44.167 3.982 -29.889 1.00 0.00 C ATOM 0 H THR A 6 45.341 1.972 -31.329 1.00 0.00 H new ATOM 0 HA THR A 6 47.019 4.159 -30.351 1.00 0.00 H new ATOM 0 HB THR A 6 45.692 4.133 -28.401 1.00 0.00 H new ATOM 0 HG1 THR A 6 44.279 2.327 -27.913 1.00 0.00 H new ATOM 0 HG21 THR A 6 43.351 4.127 -29.181 1.00 0.00 H new ATOM 0 HG22 THR A 6 44.429 4.938 -30.342 1.00 0.00 H new ATOM 0 HG23 THR A 6 43.853 3.286 -30.667 1.00 0.00 H new ATOM 89 N ASP A 7 48.098 1.332 -30.248 1.00 0.00 N ATOM 90 CA ASP A 7 49.089 0.391 -29.737 1.00 0.00 C ATOM 91 C ASP A 7 48.472 -0.544 -28.700 1.00 0.00 C ATOM 92 O ASP A 7 49.178 -1.316 -28.050 1.00 0.00 O ATOM 93 CB ASP A 7 50.266 1.147 -29.120 1.00 0.00 C ATOM 94 CG ASP A 7 51.569 0.378 -29.227 1.00 0.00 C ATOM 95 OD1 ASP A 7 51.932 -0.022 -30.353 1.00 0.00 O ATOM 96 OD2 ASP A 7 52.226 0.176 -28.184 1.00 0.00 O ATOM 0 H ASP A 7 47.853 1.196 -31.229 1.00 0.00 H new ATOM 0 HA ASP A 7 49.447 -0.210 -30.573 1.00 0.00 H new ATOM 0 HB2 ASP A 7 50.375 2.111 -29.616 1.00 0.00 H new ATOM 0 HB3 ASP A 7 50.053 1.351 -28.071 1.00 0.00 H new ATOM 101 N SER A 8 47.154 -0.469 -28.549 1.00 0.00 N ATOM 102 CA SER A 8 46.446 -1.308 -27.590 1.00 0.00 C ATOM 103 C SER A 8 45.697 -2.435 -28.297 1.00 0.00 C ATOM 104 O SER A 8 45.108 -3.302 -27.651 1.00 0.00 O ATOM 105 CB SER A 8 45.467 -0.465 -26.771 1.00 0.00 C ATOM 106 OG SER A 8 46.062 -0.017 -25.566 1.00 0.00 O ATOM 0 H SER A 8 46.555 0.164 -29.079 1.00 0.00 H new ATOM 0 HA SER A 8 47.183 -1.752 -26.921 1.00 0.00 H new ATOM 0 HB2 SER A 8 45.141 0.392 -27.359 1.00 0.00 H new ATOM 0 HB3 SER A 8 44.578 -1.053 -26.544 1.00 0.00 H new ATOM 0 HG SER A 8 45.416 0.521 -25.062 1.00 0.00 H new ATOM 112 N GLY A 9 45.722 -2.417 -29.626 1.00 0.00 N ATOM 113 CA GLY A 9 45.041 -3.441 -30.395 1.00 0.00 C ATOM 114 C GLY A 9 43.924 -2.877 -31.250 1.00 0.00 C ATOM 115 O GLY A 9 43.588 -3.436 -32.294 1.00 0.00 O ATOM 0 H GLY A 9 46.202 -1.711 -30.184 1.00 0.00 H new ATOM 0 HA2 GLY A 9 45.762 -3.951 -31.034 1.00 0.00 H new ATOM 0 HA3 GLY A 9 44.632 -4.189 -29.716 1.00 0.00 H new ATOM 119 N VAL A 10 43.347 -1.765 -30.806 1.00 0.00 N ATOM 120 CA VAL A 10 42.262 -1.123 -31.538 1.00 0.00 C ATOM 121 C VAL A 10 42.770 -0.489 -32.828 1.00 0.00 C ATOM 122 O VAL A 10 43.351 0.596 -32.814 1.00 0.00 O ATOM 123 CB VAL A 10 41.570 -0.044 -30.685 1.00 0.00 C ATOM 124 CG1 VAL A 10 40.134 0.160 -31.143 1.00 0.00 C ATOM 125 CG2 VAL A 10 41.620 -0.417 -29.211 1.00 0.00 C ATOM 0 H VAL A 10 43.613 -1.290 -29.943 1.00 0.00 H new ATOM 0 HA VAL A 10 41.539 -1.902 -31.780 1.00 0.00 H new ATOM 0 HB VAL A 10 42.105 0.896 -30.817 1.00 0.00 H new ATOM 0 HG11 VAL A 10 39.661 0.926 -30.528 1.00 0.00 H new ATOM 0 HG12 VAL A 10 40.126 0.476 -32.186 1.00 0.00 H new ATOM 0 HG13 VAL A 10 39.584 -0.776 -31.043 1.00 0.00 H new ATOM 0 HG21 VAL A 10 41.126 0.357 -28.623 1.00 0.00 H new ATOM 0 HG22 VAL A 10 41.111 -1.369 -29.059 1.00 0.00 H new ATOM 0 HG23 VAL A 10 42.659 -0.507 -28.893 1.00 0.00 H new ATOM 135 N VAL A 11 42.547 -1.177 -33.943 1.00 0.00 N ATOM 136 CA VAL A 11 42.981 -0.689 -35.245 1.00 0.00 C ATOM 137 C VAL A 11 41.926 0.210 -35.879 1.00 0.00 C ATOM 138 O VAL A 11 41.189 -0.213 -36.770 1.00 0.00 O ATOM 139 CB VAL A 11 43.287 -1.851 -36.208 1.00 0.00 C ATOM 140 CG1 VAL A 11 43.673 -1.320 -37.580 1.00 0.00 C ATOM 141 CG2 VAL A 11 44.385 -2.739 -35.642 1.00 0.00 C ATOM 0 H VAL A 11 42.067 -2.077 -33.970 1.00 0.00 H new ATOM 0 HA VAL A 11 43.891 -0.114 -35.075 1.00 0.00 H new ATOM 0 HB VAL A 11 42.386 -2.454 -36.319 1.00 0.00 H new ATOM 0 HG11 VAL A 11 43.886 -2.156 -38.247 1.00 0.00 H new ATOM 0 HG12 VAL A 11 42.851 -0.731 -37.987 1.00 0.00 H new ATOM 0 HG13 VAL A 11 44.560 -0.692 -37.491 1.00 0.00 H new ATOM 0 HG21 VAL A 11 44.587 -3.555 -36.336 1.00 0.00 H new ATOM 0 HG22 VAL A 11 45.291 -2.151 -35.499 1.00 0.00 H new ATOM 0 HG23 VAL A 11 44.064 -3.149 -34.684 1.00 0.00 H new ATOM 151 N TYR A 12 41.861 1.454 -35.419 1.00 0.00 N ATOM 152 CA TYR A 12 40.900 2.415 -35.946 1.00 0.00 C ATOM 153 C TYR A 12 41.193 2.720 -37.411 1.00 0.00 C ATOM 154 O TYR A 12 42.046 2.086 -38.031 1.00 0.00 O ATOM 155 CB TYR A 12 40.940 3.714 -35.138 1.00 0.00 C ATOM 156 CG TYR A 12 40.413 3.579 -33.731 1.00 0.00 C ATOM 157 CD1 TYR A 12 39.051 3.475 -33.487 1.00 0.00 C ATOM 158 CD2 TYR A 12 41.280 3.556 -32.647 1.00 0.00 C ATOM 159 CE1 TYR A 12 38.565 3.352 -32.199 1.00 0.00 C ATOM 160 CE2 TYR A 12 40.803 3.432 -31.356 1.00 0.00 C ATOM 161 CZ TYR A 12 39.445 3.330 -31.137 1.00 0.00 C ATOM 162 OH TYR A 12 38.966 3.206 -29.854 1.00 0.00 O ATOM 0 H TYR A 12 42.463 1.821 -34.682 1.00 0.00 H new ATOM 0 HA TYR A 12 39.906 1.974 -35.865 1.00 0.00 H new ATOM 0 HB2 TYR A 12 41.969 4.072 -35.097 1.00 0.00 H new ATOM 0 HB3 TYR A 12 40.359 4.473 -35.661 1.00 0.00 H new ATOM 0 HD1 TYR A 12 38.360 3.490 -34.317 1.00 0.00 H new ATOM 0 HD2 TYR A 12 42.344 3.636 -32.815 1.00 0.00 H new ATOM 0 HE1 TYR A 12 37.502 3.274 -32.025 1.00 0.00 H new ATOM 0 HE2 TYR A 12 41.490 3.415 -30.523 1.00 0.00 H new ATOM 0 HH TYR A 12 38.700 4.087 -29.518 1.00 0.00 H new ATOM 172 N SER A 13 40.483 3.702 -37.951 1.00 0.00 N ATOM 173 CA SER A 13 40.665 4.106 -39.338 1.00 0.00 C ATOM 174 C SER A 13 40.600 5.623 -39.462 1.00 0.00 C ATOM 175 O SER A 13 39.843 6.279 -38.748 1.00 0.00 O ATOM 176 CB SER A 13 39.602 3.458 -40.225 1.00 0.00 C ATOM 177 OG SER A 13 39.973 2.139 -40.586 1.00 0.00 O ATOM 0 H SER A 13 39.774 4.235 -37.447 1.00 0.00 H new ATOM 0 HA SER A 13 41.648 3.771 -39.669 1.00 0.00 H new ATOM 0 HB2 SER A 13 38.647 3.439 -39.699 1.00 0.00 H new ATOM 0 HB3 SER A 13 39.459 4.058 -41.124 1.00 0.00 H new ATOM 0 HG SER A 13 39.276 1.746 -41.152 1.00 0.00 H new ATOM 183 N VAL A 14 41.404 6.173 -40.366 1.00 0.00 N ATOM 184 CA VAL A 14 41.446 7.615 -40.580 1.00 0.00 C ATOM 185 C VAL A 14 40.046 8.221 -40.598 1.00 0.00 C ATOM 186 O VAL A 14 39.438 8.373 -41.657 1.00 0.00 O ATOM 187 CB VAL A 14 42.162 7.965 -41.898 1.00 0.00 C ATOM 188 CG1 VAL A 14 41.651 7.091 -43.033 1.00 0.00 C ATOM 189 CG2 VAL A 14 41.983 9.440 -42.228 1.00 0.00 C ATOM 0 H VAL A 14 42.037 5.641 -40.963 1.00 0.00 H new ATOM 0 HA VAL A 14 42.004 8.037 -39.744 1.00 0.00 H new ATOM 0 HB VAL A 14 43.227 7.771 -41.773 1.00 0.00 H new ATOM 0 HG11 VAL A 14 42.169 7.353 -43.956 1.00 0.00 H new ATOM 0 HG12 VAL A 14 41.837 6.043 -42.798 1.00 0.00 H new ATOM 0 HG13 VAL A 14 40.580 7.249 -43.160 1.00 0.00 H new ATOM 0 HG21 VAL A 14 42.496 9.669 -43.162 1.00 0.00 H new ATOM 0 HG22 VAL A 14 40.921 9.663 -42.333 1.00 0.00 H new ATOM 0 HG23 VAL A 14 42.404 10.046 -41.426 1.00 0.00 H new ATOM 199 N GLY A 15 39.543 8.573 -39.418 1.00 0.00 N ATOM 200 CA GLY A 15 38.222 9.166 -39.321 1.00 0.00 C ATOM 201 C GLY A 15 37.244 8.311 -38.538 1.00 0.00 C ATOM 202 O GLY A 15 36.056 8.269 -38.857 1.00 0.00 O ATOM 0 H GLY A 15 40.027 8.458 -38.528 1.00 0.00 H new ATOM 0 HA2 GLY A 15 38.303 10.144 -38.846 1.00 0.00 H new ATOM 0 HA3 GLY A 15 37.829 9.331 -40.324 1.00 0.00 H new ATOM 206 N MET A 16 37.740 7.630 -37.510 1.00 0.00 N ATOM 207 CA MET A 16 36.891 6.777 -36.685 1.00 0.00 C ATOM 208 C MET A 16 36.803 7.313 -35.260 1.00 0.00 C ATOM 209 O MET A 16 37.030 6.579 -34.299 1.00 0.00 O ATOM 210 CB MET A 16 37.430 5.347 -36.671 1.00 0.00 C ATOM 211 CG MET A 16 36.618 4.382 -37.519 1.00 0.00 C ATOM 212 SD MET A 16 35.807 3.107 -36.536 1.00 0.00 S ATOM 213 CE MET A 16 37.123 1.900 -36.394 1.00 0.00 C ATOM 0 H MET A 16 38.720 7.651 -37.229 1.00 0.00 H new ATOM 0 HA MET A 16 35.890 6.777 -37.117 1.00 0.00 H new ATOM 0 HB2 MET A 16 38.460 5.352 -37.027 1.00 0.00 H new ATOM 0 HB3 MET A 16 37.450 4.985 -35.643 1.00 0.00 H new ATOM 0 HG2 MET A 16 35.865 4.939 -38.076 1.00 0.00 H new ATOM 0 HG3 MET A 16 37.272 3.909 -38.252 1.00 0.00 H new ATOM 0 HE1 MET A 16 36.745 0.915 -36.668 1.00 0.00 H new ATOM 0 HE2 MET A 16 37.941 2.173 -37.061 1.00 0.00 H new ATOM 0 HE3 MET A 16 37.486 1.876 -35.366 1.00 0.00 H new ATOM 223 N GLN A 17 36.472 8.597 -35.135 1.00 0.00 N ATOM 224 CA GLN A 17 36.353 9.243 -33.830 1.00 0.00 C ATOM 225 C GLN A 17 35.887 8.257 -32.764 1.00 0.00 C ATOM 226 O GLN A 17 34.888 7.560 -32.942 1.00 0.00 O ATOM 227 CB GLN A 17 35.379 10.420 -33.908 1.00 0.00 C ATOM 228 CG GLN A 17 35.970 11.657 -34.563 1.00 0.00 C ATOM 229 CD GLN A 17 34.908 12.633 -35.028 1.00 0.00 C ATOM 230 OE1 GLN A 17 34.663 12.779 -36.226 1.00 0.00 O ATOM 231 NE2 GLN A 17 34.269 13.308 -34.079 1.00 0.00 N ATOM 0 H GLN A 17 36.281 9.212 -35.926 1.00 0.00 H new ATOM 0 HA GLN A 17 37.340 9.609 -33.549 1.00 0.00 H new ATOM 0 HB2 GLN A 17 34.494 10.112 -34.465 1.00 0.00 H new ATOM 0 HB3 GLN A 17 35.049 10.675 -32.901 1.00 0.00 H new ATOM 0 HG2 GLN A 17 36.633 12.156 -33.856 1.00 0.00 H new ATOM 0 HG3 GLN A 17 36.580 11.356 -35.415 1.00 0.00 H new ATOM 0 HE21 GLN A 17 34.504 13.156 -33.098 1.00 0.00 H new ATOM 0 HE22 GLN A 17 33.543 13.979 -34.331 1.00 0.00 H new ATOM 240 N TRP A 18 36.617 8.208 -31.654 1.00 0.00 N ATOM 241 CA TRP A 18 36.279 7.311 -30.556 1.00 0.00 C ATOM 242 C TRP A 18 36.503 7.995 -29.211 1.00 0.00 C ATOM 243 O TRP A 18 36.823 9.182 -29.153 1.00 0.00 O ATOM 244 CB TRP A 18 37.111 6.029 -30.638 1.00 0.00 C ATOM 245 CG TRP A 18 38.556 6.230 -30.297 1.00 0.00 C ATOM 246 CD1 TRP A 18 39.127 6.136 -29.061 1.00 0.00 C ATOM 247 CD2 TRP A 18 39.616 6.556 -31.205 1.00 0.00 C ATOM 248 NE1 TRP A 18 40.476 6.383 -29.144 1.00 0.00 N ATOM 249 CE2 TRP A 18 40.801 6.645 -30.450 1.00 0.00 C ATOM 250 CE3 TRP A 18 39.677 6.782 -32.582 1.00 0.00 C ATOM 251 CZ2 TRP A 18 42.032 6.949 -31.030 1.00 0.00 C ATOM 252 CZ3 TRP A 18 40.898 7.084 -33.154 1.00 0.00 C ATOM 253 CH2 TRP A 18 42.060 7.164 -32.379 1.00 0.00 C ATOM 0 H TRP A 18 37.446 8.779 -31.492 1.00 0.00 H new ATOM 0 HA TRP A 18 35.224 7.052 -30.642 1.00 0.00 H new ATOM 0 HB2 TRP A 18 36.687 5.286 -29.962 1.00 0.00 H new ATOM 0 HB3 TRP A 18 37.037 5.622 -31.646 1.00 0.00 H new ATOM 0 HD1 TRP A 18 38.596 5.902 -28.150 1.00 0.00 H new ATOM 0 HE1 TRP A 18 41.130 6.373 -28.361 1.00 0.00 H new ATOM 0 HE3 TRP A 18 38.786 6.722 -33.189 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 42.931 7.012 -30.435 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 40.956 7.261 -34.218 1.00 0.00 H new ATOM 0 HH2 TRP A 18 42.999 7.401 -32.857 1.00 0.00 H new ATOM 264 N LEU A 19 36.334 7.239 -28.133 1.00 0.00 N ATOM 265 CA LEU A 19 36.520 7.777 -26.791 1.00 0.00 C ATOM 266 C LEU A 19 37.441 6.884 -25.971 1.00 0.00 C ATOM 267 O LEU A 19 37.260 5.668 -25.918 1.00 0.00 O ATOM 268 CB LEU A 19 35.173 7.926 -26.082 1.00 0.00 C ATOM 269 CG LEU A 19 35.143 8.976 -24.969 1.00 0.00 C ATOM 270 CD1 LEU A 19 35.003 10.374 -25.553 1.00 0.00 C ATOM 271 CD2 LEU A 19 34.010 8.688 -23.995 1.00 0.00 C ATOM 0 H LEU A 19 36.069 6.254 -28.161 1.00 0.00 H new ATOM 0 HA LEU A 19 36.982 8.760 -26.884 1.00 0.00 H new ATOM 0 HB2 LEU A 19 34.415 8.181 -26.823 1.00 0.00 H new ATOM 0 HB3 LEU A 19 34.893 6.961 -25.659 1.00 0.00 H new ATOM 0 HG LEU A 19 36.086 8.926 -24.425 1.00 0.00 H new ATOM 0 HD11 LEU A 19 34.984 11.106 -24.745 1.00 0.00 H new ATOM 0 HD12 LEU A 19 35.848 10.580 -26.209 1.00 0.00 H new ATOM 0 HD13 LEU A 19 34.076 10.439 -26.123 1.00 0.00 H new ATOM 0 HD21 LEU A 19 34.004 9.444 -23.210 1.00 0.00 H new ATOM 0 HD22 LEU A 19 33.059 8.709 -24.527 1.00 0.00 H new ATOM 0 HD23 LEU A 19 34.155 7.704 -23.549 1.00 0.00 H new ATOM 283 N LYS A 20 38.432 7.497 -25.335 1.00 0.00 N ATOM 284 CA LYS A 20 39.385 6.757 -24.518 1.00 0.00 C ATOM 285 C LYS A 20 39.328 7.211 -23.063 1.00 0.00 C ATOM 286 O LYS A 20 39.001 8.362 -22.772 1.00 0.00 O ATOM 287 CB LYS A 20 40.800 6.938 -25.065 1.00 0.00 C ATOM 288 CG LYS A 20 41.642 5.675 -25.004 1.00 0.00 C ATOM 289 CD LYS A 20 43.127 5.997 -24.992 1.00 0.00 C ATOM 290 CE LYS A 20 43.608 6.354 -23.595 1.00 0.00 C ATOM 291 NZ LYS A 20 44.856 7.166 -23.625 1.00 0.00 N ATOM 0 H LYS A 20 38.596 8.503 -25.369 1.00 0.00 H new ATOM 0 HA LYS A 20 39.117 5.701 -24.558 1.00 0.00 H new ATOM 0 HB2 LYS A 20 40.740 7.275 -26.100 1.00 0.00 H new ATOM 0 HB3 LYS A 20 41.300 7.726 -24.502 1.00 0.00 H new ATOM 0 HG2 LYS A 20 41.384 5.107 -24.110 1.00 0.00 H new ATOM 0 HG3 LYS A 20 41.413 5.042 -25.861 1.00 0.00 H new ATOM 0 HD2 LYS A 20 43.689 5.140 -25.364 1.00 0.00 H new ATOM 0 HD3 LYS A 20 43.326 6.827 -25.670 1.00 0.00 H new ATOM 0 HE2 LYS A 20 42.828 6.908 -23.073 1.00 0.00 H new ATOM 0 HE3 LYS A 20 43.784 5.440 -23.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 45.149 7.388 -22.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 45.609 6.628 -24.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 44.682 8.050 -24.144 1.00 0.00 H new ATOM 379 N GLN A 26 37.860 10.935 -18.285 1.00 0.00 N ATOM 380 CA GLN A 26 37.325 10.695 -19.621 1.00 0.00 C ATOM 381 C GLN A 26 38.116 11.478 -20.665 1.00 0.00 C ATOM 382 O GLN A 26 38.685 12.526 -20.364 1.00 0.00 O ATOM 383 CB GLN A 26 35.848 11.089 -19.679 1.00 0.00 C ATOM 384 CG GLN A 26 35.115 10.535 -20.890 1.00 0.00 C ATOM 385 CD GLN A 26 33.718 10.050 -20.553 1.00 0.00 C ATOM 386 OE1 GLN A 26 32.849 10.837 -20.179 1.00 0.00 O ATOM 387 NE2 GLN A 26 33.497 8.747 -20.683 1.00 0.00 N ATOM 0 HA GLN A 26 37.417 9.631 -19.841 1.00 0.00 H new ATOM 0 HB2 GLN A 26 35.352 10.739 -18.774 1.00 0.00 H new ATOM 0 HB3 GLN A 26 35.771 12.176 -19.685 1.00 0.00 H new ATOM 0 HG2 GLN A 26 35.053 11.307 -21.657 1.00 0.00 H new ATOM 0 HG3 GLN A 26 35.690 9.711 -21.313 1.00 0.00 H new ATOM 0 HE21 GLN A 26 34.247 8.131 -20.996 1.00 0.00 H new ATOM 0 HE22 GLN A 26 32.577 8.362 -20.469 1.00 0.00 H new ATOM 396 N MET A 27 38.153 10.963 -21.890 1.00 0.00 N ATOM 397 CA MET A 27 38.883 11.622 -22.967 1.00 0.00 C ATOM 398 C MET A 27 38.482 11.066 -24.331 1.00 0.00 C ATOM 399 O MET A 27 38.555 9.860 -24.567 1.00 0.00 O ATOM 400 CB MET A 27 40.389 11.447 -22.760 1.00 0.00 C ATOM 401 CG MET A 27 41.194 12.708 -23.028 1.00 0.00 C ATOM 402 SD MET A 27 42.731 12.376 -23.910 1.00 0.00 S ATOM 403 CE MET A 27 43.480 11.159 -22.831 1.00 0.00 C ATOM 0 H MET A 27 37.689 10.096 -22.161 1.00 0.00 H new ATOM 0 HA MET A 27 38.631 12.682 -22.944 1.00 0.00 H new ATOM 0 HB2 MET A 27 40.570 11.122 -21.736 1.00 0.00 H new ATOM 0 HB3 MET A 27 40.747 10.652 -23.415 1.00 0.00 H new ATOM 0 HG2 MET A 27 40.589 13.404 -23.609 1.00 0.00 H new ATOM 0 HG3 MET A 27 41.421 13.197 -22.081 1.00 0.00 H new ATOM 0 HE1 MET A 27 44.546 11.087 -23.048 1.00 0.00 H new ATOM 0 HE2 MET A 27 43.341 11.459 -21.792 1.00 0.00 H new ATOM 0 HE3 MET A 27 43.010 10.189 -22.995 1.00 0.00 H new ATOM 413 N LEU A 28 38.069 11.956 -25.229 1.00 0.00 N ATOM 414 CA LEU A 28 37.669 11.557 -26.575 1.00 0.00 C ATOM 415 C LEU A 28 38.874 11.568 -27.509 1.00 0.00 C ATOM 416 O LEU A 28 39.495 12.609 -27.721 1.00 0.00 O ATOM 417 CB LEU A 28 36.586 12.495 -27.112 1.00 0.00 C ATOM 418 CG LEU A 28 36.171 12.237 -28.562 1.00 0.00 C ATOM 419 CD1 LEU A 28 34.799 11.585 -28.617 1.00 0.00 C ATOM 420 CD2 LEU A 28 36.176 13.534 -29.356 1.00 0.00 C ATOM 0 H LEU A 28 38.003 12.958 -25.049 1.00 0.00 H new ATOM 0 HA LEU A 28 37.265 10.546 -26.528 1.00 0.00 H new ATOM 0 HB2 LEU A 28 35.704 12.410 -26.477 1.00 0.00 H new ATOM 0 HB3 LEU A 28 36.941 13.522 -27.028 1.00 0.00 H new ATOM 0 HG LEU A 28 36.894 11.555 -29.010 1.00 0.00 H new ATOM 0 HD11 LEU A 28 34.521 11.409 -29.656 1.00 0.00 H new ATOM 0 HD12 LEU A 28 34.826 10.635 -28.083 1.00 0.00 H new ATOM 0 HD13 LEU A 28 34.065 12.242 -28.151 1.00 0.00 H new ATOM 0 HD21 LEU A 28 35.878 13.332 -30.385 1.00 0.00 H new ATOM 0 HD22 LEU A 28 35.475 14.238 -28.907 1.00 0.00 H new ATOM 0 HD23 LEU A 28 37.178 13.963 -29.346 1.00 0.00 H new ATOM 432 N CYS A 29 39.209 10.405 -28.056 1.00 0.00 N ATOM 433 CA CYS A 29 40.351 10.291 -28.956 1.00 0.00 C ATOM 434 C CYS A 29 39.904 10.124 -30.404 1.00 0.00 C ATOM 435 O CYS A 29 38.961 9.388 -30.695 1.00 0.00 O ATOM 436 CB CYS A 29 41.231 9.111 -28.541 1.00 0.00 C ATOM 437 SG CYS A 29 42.463 9.517 -27.262 1.00 0.00 S ATOM 0 H CYS A 29 38.709 9.531 -27.893 1.00 0.00 H new ATOM 0 HA CYS A 29 40.927 11.214 -28.886 1.00 0.00 H new ATOM 0 HB2 CYS A 29 40.593 8.307 -28.174 1.00 0.00 H new ATOM 0 HB3 CYS A 29 41.749 8.730 -29.421 1.00 0.00 H new ATOM 442 N THR A 30 40.593 10.812 -31.310 1.00 0.00 N ATOM 443 CA THR A 30 40.275 10.742 -32.732 1.00 0.00 C ATOM 444 C THR A 30 41.540 10.712 -33.579 1.00 0.00 C ATOM 445 O THR A 30 42.582 11.230 -33.178 1.00 0.00 O ATOM 446 CB THR A 30 39.415 11.937 -33.185 1.00 0.00 C ATOM 447 OG1 THR A 30 38.186 11.965 -32.449 1.00 0.00 O ATOM 448 CG2 THR A 30 39.120 11.853 -34.677 1.00 0.00 C ATOM 0 H THR A 30 41.376 11.425 -31.084 1.00 0.00 H new ATOM 0 HA THR A 30 39.712 9.819 -32.875 1.00 0.00 H new ATOM 0 HB THR A 30 39.972 12.854 -32.991 1.00 0.00 H new ATOM 0 HG1 THR A 30 37.963 12.891 -32.220 1.00 0.00 H new ATOM 0 HG21 THR A 30 38.511 12.706 -34.976 1.00 0.00 H new ATOM 0 HG22 THR A 30 40.057 11.862 -35.234 1.00 0.00 H new ATOM 0 HG23 THR A 30 38.580 10.930 -34.890 1.00 0.00 H new ATOM 456 N CYS A 31 41.439 10.110 -34.759 1.00 0.00 N ATOM 457 CA CYS A 31 42.572 10.022 -35.669 1.00 0.00 C ATOM 458 C CYS A 31 42.303 10.826 -36.935 1.00 0.00 C ATOM 459 O CYS A 31 41.542 10.402 -37.805 1.00 0.00 O ATOM 460 CB CYS A 31 42.867 8.565 -36.020 1.00 0.00 C ATOM 461 SG CYS A 31 41.434 7.640 -36.650 1.00 0.00 S ATOM 0 H CYS A 31 40.584 9.676 -35.107 1.00 0.00 H new ATOM 0 HA CYS A 31 43.445 10.441 -35.169 1.00 0.00 H new ATOM 0 HB2 CYS A 31 43.659 8.537 -36.768 1.00 0.00 H new ATOM 0 HB3 CYS A 31 43.249 8.060 -35.133 1.00 0.00 H new ATOM 466 N LEU A 32 42.925 11.995 -37.022 1.00 0.00 N ATOM 467 CA LEU A 32 42.751 12.875 -38.172 1.00 0.00 C ATOM 468 C LEU A 32 43.602 12.415 -39.354 1.00 0.00 C ATOM 469 O LEU A 32 43.198 11.532 -40.111 1.00 0.00 O ATOM 470 CB LEU A 32 43.107 14.316 -37.794 1.00 0.00 C ATOM 471 CG LEU A 32 44.194 14.456 -36.725 1.00 0.00 C ATOM 472 CD1 LEU A 32 45.148 15.585 -37.077 1.00 0.00 C ATOM 473 CD2 LEU A 32 43.567 14.688 -35.358 1.00 0.00 C ATOM 0 H LEU A 32 43.557 12.357 -36.308 1.00 0.00 H new ATOM 0 HA LEU A 32 41.704 12.833 -38.473 1.00 0.00 H new ATOM 0 HB2 LEU A 32 43.432 14.841 -38.692 1.00 0.00 H new ATOM 0 HB3 LEU A 32 42.205 14.816 -37.441 1.00 0.00 H new ATOM 0 HG LEU A 32 44.764 13.528 -36.689 1.00 0.00 H new ATOM 0 HD11 LEU A 32 45.913 15.669 -36.305 1.00 0.00 H new ATOM 0 HD12 LEU A 32 45.621 15.376 -38.036 1.00 0.00 H new ATOM 0 HD13 LEU A 32 44.595 16.522 -37.142 1.00 0.00 H new ATOM 0 HD21 LEU A 32 44.353 14.785 -34.609 1.00 0.00 H new ATOM 0 HD22 LEU A 32 42.972 15.601 -35.381 1.00 0.00 H new ATOM 0 HD23 LEU A 32 42.926 13.844 -35.104 1.00 0.00 H new ATOM 485 N GLY A 33 44.779 13.018 -39.514 1.00 0.00 N ATOM 486 CA GLY A 33 45.653 12.649 -40.612 1.00 0.00 C ATOM 487 C GLY A 33 47.116 12.648 -40.218 1.00 0.00 C ATOM 488 O GLY A 33 47.873 11.762 -40.615 1.00 0.00 O ATOM 0 H GLY A 33 45.140 13.752 -38.905 1.00 0.00 H new ATOM 0 HA2 GLY A 33 45.377 11.658 -40.974 1.00 0.00 H new ATOM 0 HA3 GLY A 33 45.504 13.343 -41.439 1.00 0.00 H new ATOM 492 N ASN A 34 47.515 13.640 -39.431 1.00 0.00 N ATOM 493 CA ASN A 34 48.896 13.748 -38.980 1.00 0.00 C ATOM 494 C ASN A 34 49.195 12.689 -37.925 1.00 0.00 C ATOM 495 O ASN A 34 50.346 12.299 -37.728 1.00 0.00 O ATOM 496 CB ASN A 34 49.167 15.147 -38.418 1.00 0.00 C ATOM 497 CG ASN A 34 48.755 15.282 -36.965 1.00 0.00 C ATOM 498 OD1 ASN A 34 47.834 14.608 -36.502 1.00 0.00 O ATOM 499 ND2 ASN A 34 49.437 16.158 -36.236 1.00 0.00 N ATOM 0 H ASN A 34 46.901 14.381 -39.092 1.00 0.00 H new ATOM 0 HA ASN A 34 49.552 13.583 -39.835 1.00 0.00 H new ATOM 0 HB2 ASN A 34 50.229 15.373 -38.513 1.00 0.00 H new ATOM 0 HB3 ASN A 34 48.629 15.884 -39.014 1.00 0.00 H new ATOM 0 HD21 ASN A 34 49.205 16.293 -35.252 1.00 0.00 H new ATOM 0 HD22 ASN A 34 50.193 16.696 -36.660 1.00 0.00 H new ATOM 506 N GLY A 35 48.146 12.227 -37.255 1.00 0.00 N ATOM 507 CA GLY A 35 48.306 11.213 -36.230 1.00 0.00 C ATOM 508 C GLY A 35 47.004 10.898 -35.521 1.00 0.00 C ATOM 509 O GLY A 35 46.015 10.535 -36.157 1.00 0.00 O ATOM 0 H GLY A 35 47.186 12.537 -37.404 1.00 0.00 H new ATOM 0 HA2 GLY A 35 48.700 10.303 -36.682 1.00 0.00 H new ATOM 0 HA3 GLY A 35 49.042 11.551 -35.500 1.00 0.00 H new ATOM 513 N VAL A 36 47.003 11.042 -34.200 1.00 0.00 N ATOM 514 CA VAL A 36 45.812 10.777 -33.401 1.00 0.00 C ATOM 515 C VAL A 36 45.747 11.719 -32.202 1.00 0.00 C ATOM 516 O VAL A 36 46.616 11.694 -31.331 1.00 0.00 O ATOM 517 CB VAL A 36 45.769 9.308 -32.913 1.00 0.00 C ATOM 518 CG1 VAL A 36 44.844 9.155 -31.712 1.00 0.00 C ATOM 519 CG2 VAL A 36 45.332 8.386 -34.040 1.00 0.00 C ATOM 0 H VAL A 36 47.815 11.341 -33.659 1.00 0.00 H new ATOM 0 HA VAL A 36 44.947 10.950 -34.042 1.00 0.00 H new ATOM 0 HB VAL A 36 46.775 9.027 -32.602 1.00 0.00 H new ATOM 0 HG11 VAL A 36 44.834 8.113 -31.391 1.00 0.00 H new ATOM 0 HG12 VAL A 36 45.201 9.783 -30.896 1.00 0.00 H new ATOM 0 HG13 VAL A 36 43.835 9.459 -31.989 1.00 0.00 H new ATOM 0 HG21 VAL A 36 45.307 7.358 -33.680 1.00 0.00 H new ATOM 0 HG22 VAL A 36 44.338 8.675 -34.382 1.00 0.00 H new ATOM 0 HG23 VAL A 36 46.037 8.464 -34.868 1.00 0.00 H new ATOM 529 N SER A 37 44.709 12.546 -32.167 1.00 0.00 N ATOM 530 CA SER A 37 44.523 13.496 -31.077 1.00 0.00 C ATOM 531 C SER A 37 43.309 13.117 -30.238 1.00 0.00 C ATOM 532 O SER A 37 42.622 12.140 -30.532 1.00 0.00 O ATOM 533 CB SER A 37 44.355 14.913 -31.629 1.00 0.00 C ATOM 534 OG SER A 37 44.210 15.855 -30.581 1.00 0.00 O ATOM 0 H SER A 37 43.982 12.578 -32.882 1.00 0.00 H new ATOM 0 HA SER A 37 45.409 13.467 -30.443 1.00 0.00 H new ATOM 0 HB2 SER A 37 45.220 15.174 -32.239 1.00 0.00 H new ATOM 0 HB3 SER A 37 43.482 14.952 -32.280 1.00 0.00 H new ATOM 0 HG SER A 37 43.262 16.077 -30.469 1.00 0.00 H new ATOM 540 N CYS A 38 43.050 13.891 -29.190 1.00 0.00 N ATOM 541 CA CYS A 38 41.917 13.628 -28.312 1.00 0.00 C ATOM 542 C CYS A 38 41.479 14.899 -27.591 1.00 0.00 C ATOM 543 O CYS A 38 42.155 15.926 -27.654 1.00 0.00 O ATOM 544 CB CYS A 38 42.277 12.546 -27.291 1.00 0.00 C ATOM 545 SG CYS A 38 43.333 11.216 -27.952 1.00 0.00 S ATOM 0 H CYS A 38 43.608 14.704 -28.928 1.00 0.00 H new ATOM 0 HA CYS A 38 41.088 13.277 -28.926 1.00 0.00 H new ATOM 0 HB2 CYS A 38 42.786 13.013 -26.448 1.00 0.00 H new ATOM 0 HB3 CYS A 38 41.357 12.106 -26.905 1.00 0.00 H new ATOM 550 N GLN A 39 40.342 14.822 -26.905 1.00 0.00 N ATOM 551 CA GLN A 39 39.813 15.965 -26.170 1.00 0.00 C ATOM 552 C GLN A 39 39.659 15.633 -24.689 1.00 0.00 C ATOM 553 O GLN A 39 38.745 14.908 -24.297 1.00 0.00 O ATOM 554 CB GLN A 39 38.465 16.393 -26.753 1.00 0.00 C ATOM 555 CG GLN A 39 38.157 17.868 -26.553 1.00 0.00 C ATOM 556 CD GLN A 39 38.380 18.687 -27.809 1.00 0.00 C ATOM 557 OE1 GLN A 39 39.022 19.736 -27.774 1.00 0.00 O ATOM 558 NE2 GLN A 39 37.849 18.209 -28.929 1.00 0.00 N ATOM 0 H GLN A 39 39.770 13.980 -26.843 1.00 0.00 H new ATOM 0 HA GLN A 39 40.520 16.789 -26.268 1.00 0.00 H new ATOM 0 HB2 GLN A 39 38.452 16.169 -27.820 1.00 0.00 H new ATOM 0 HB3 GLN A 39 37.675 15.800 -26.293 1.00 0.00 H new ATOM 0 HG2 GLN A 39 37.121 17.978 -26.231 1.00 0.00 H new ATOM 0 HG3 GLN A 39 38.783 18.261 -25.752 1.00 0.00 H new ATOM 0 HE21 GLN A 39 37.324 17.335 -28.912 1.00 0.00 H new ATOM 0 HE22 GLN A 39 37.966 18.716 -29.806 1.00 0.00 H new ATOM 636 N GLN A 45 30.322 20.972 -17.814 1.00 0.00 N ATOM 637 CA GLN A 45 29.328 21.253 -16.784 1.00 0.00 C ATOM 638 C GLN A 45 27.963 21.530 -17.406 1.00 0.00 C ATOM 639 O GLN A 45 27.863 22.205 -18.431 1.00 0.00 O ATOM 640 CB GLN A 45 29.768 22.447 -15.934 1.00 0.00 C ATOM 641 CG GLN A 45 31.191 22.327 -15.412 1.00 0.00 C ATOM 642 CD GLN A 45 31.253 21.729 -14.020 1.00 0.00 C ATOM 643 OE1 GLN A 45 30.391 21.988 -13.181 1.00 0.00 O ATOM 644 NE2 GLN A 45 32.278 20.924 -13.769 1.00 0.00 N ATOM 0 HA GLN A 45 29.243 20.374 -16.146 1.00 0.00 H new ATOM 0 HB2 GLN A 45 29.683 23.357 -16.528 1.00 0.00 H new ATOM 0 HB3 GLN A 45 29.087 22.552 -15.089 1.00 0.00 H new ATOM 0 HG2 GLN A 45 31.774 21.709 -16.095 1.00 0.00 H new ATOM 0 HG3 GLN A 45 31.654 23.314 -15.401 1.00 0.00 H new ATOM 0 HE21 GLN A 45 32.970 20.737 -14.495 1.00 0.00 H new ATOM 0 HE22 GLN A 45 32.374 20.492 -12.850 1.00 0.00 H new ATOM 653 N THR A 46 26.915 21.004 -16.780 1.00 0.00 N ATOM 654 CA THR A 46 25.557 21.195 -17.274 1.00 0.00 C ATOM 655 C THR A 46 24.709 21.967 -16.270 1.00 0.00 C ATOM 656 O THR A 46 24.642 21.612 -15.093 1.00 0.00 O ATOM 657 CB THR A 46 24.874 19.849 -17.582 1.00 0.00 C ATOM 658 OG1 THR A 46 25.275 18.863 -16.623 1.00 0.00 O ATOM 659 CG2 THR A 46 25.227 19.372 -18.982 1.00 0.00 C ATOM 0 H THR A 46 26.980 20.443 -15.931 1.00 0.00 H new ATOM 0 HA THR A 46 25.636 21.771 -18.196 1.00 0.00 H new ATOM 0 HB THR A 46 23.795 19.994 -17.524 1.00 0.00 H new ATOM 0 HG1 THR A 46 25.265 19.256 -15.725 1.00 0.00 H new ATOM 0 HG21 THR A 46 24.733 18.420 -19.177 1.00 0.00 H new ATOM 0 HG22 THR A 46 24.894 20.110 -19.712 1.00 0.00 H new ATOM 0 HG23 THR A 46 26.307 19.244 -19.061 1.00 0.00 H new ATOM 667 N TYR A 47 24.065 23.029 -16.745 1.00 0.00 N ATOM 668 CA TYR A 47 23.222 23.860 -15.893 1.00 0.00 C ATOM 669 C TYR A 47 21.835 24.036 -16.503 1.00 0.00 C ATOM 670 O TYR A 47 21.679 24.051 -17.724 1.00 0.00 O ATOM 671 CB TYR A 47 23.871 25.228 -15.681 1.00 0.00 C ATOM 672 CG TYR A 47 24.297 25.897 -16.968 1.00 0.00 C ATOM 673 CD1 TYR A 47 23.354 26.387 -17.863 1.00 0.00 C ATOM 674 CD2 TYR A 47 25.641 26.037 -17.289 1.00 0.00 C ATOM 675 CE1 TYR A 47 23.739 26.996 -19.042 1.00 0.00 C ATOM 676 CE2 TYR A 47 26.033 26.645 -18.466 1.00 0.00 C ATOM 677 CZ TYR A 47 25.079 27.122 -19.339 1.00 0.00 C ATOM 678 OH TYR A 47 25.466 27.728 -20.513 1.00 0.00 O ATOM 0 H TYR A 47 24.111 23.334 -17.717 1.00 0.00 H new ATOM 0 HA TYR A 47 23.116 23.359 -14.931 1.00 0.00 H new ATOM 0 HB2 TYR A 47 23.169 25.877 -15.158 1.00 0.00 H new ATOM 0 HB3 TYR A 47 24.741 25.113 -15.035 1.00 0.00 H new ATOM 0 HD1 TYR A 47 22.303 26.290 -17.633 1.00 0.00 H new ATOM 0 HD2 TYR A 47 26.392 25.665 -16.608 1.00 0.00 H new ATOM 0 HE1 TYR A 47 22.994 27.371 -19.727 1.00 0.00 H new ATOM 0 HE2 TYR A 47 27.082 26.746 -18.701 1.00 0.00 H new ATOM 0 HH TYR A 47 25.928 27.076 -21.081 1.00 0.00 H new ATOM 688 N GLY A 48 20.831 24.173 -15.643 1.00 0.00 N ATOM 689 CA GLY A 48 19.469 24.351 -16.111 1.00 0.00 C ATOM 690 C GLY A 48 19.165 23.527 -17.346 1.00 0.00 C ATOM 691 O GLY A 48 19.509 22.347 -17.414 1.00 0.00 O ATOM 0 H GLY A 48 20.937 24.164 -14.629 1.00 0.00 H new ATOM 0 HA2 GLY A 48 18.776 24.076 -15.316 1.00 0.00 H new ATOM 0 HA3 GLY A 48 19.299 25.405 -16.331 1.00 0.00 H new ATOM 695 N GLY A 49 18.516 24.151 -18.323 1.00 0.00 N ATOM 696 CA GLY A 49 18.173 23.455 -19.549 1.00 0.00 C ATOM 697 C GLY A 49 16.870 22.690 -19.432 1.00 0.00 C ATOM 698 O GLY A 49 15.816 23.279 -19.192 1.00 0.00 O ATOM 0 H GLY A 49 18.221 25.127 -18.288 1.00 0.00 H new ATOM 0 HA2 GLY A 49 18.097 24.175 -20.364 1.00 0.00 H new ATOM 0 HA3 GLY A 49 18.975 22.764 -19.808 1.00 0.00 H new ATOM 702 N ASN A 50 16.942 21.374 -19.601 1.00 0.00 N ATOM 703 CA ASN A 50 15.759 20.527 -19.512 1.00 0.00 C ATOM 704 C ASN A 50 15.915 19.492 -18.401 1.00 0.00 C ATOM 705 O ASN A 50 14.953 18.826 -18.020 1.00 0.00 O ATOM 706 CB ASN A 50 15.506 19.825 -20.847 1.00 0.00 C ATOM 707 CG ASN A 50 14.354 20.443 -21.615 1.00 0.00 C ATOM 708 OD1 ASN A 50 14.559 21.195 -22.568 1.00 0.00 O ATOM 709 ND2 ASN A 50 13.131 20.127 -21.204 1.00 0.00 N ATOM 0 H ASN A 50 17.807 20.871 -19.800 1.00 0.00 H new ATOM 0 HA ASN A 50 14.905 21.162 -19.277 1.00 0.00 H new ATOM 0 HB2 ASN A 50 16.410 19.869 -21.455 1.00 0.00 H new ATOM 0 HB3 ASN A 50 15.295 18.771 -20.666 1.00 0.00 H new ATOM 0 HD21 ASN A 50 12.317 20.512 -21.683 1.00 0.00 H new ATOM 0 HD22 ASN A 50 13.006 19.500 -20.409 1.00 0.00 H new ATOM 716 N SER A 51 17.134 19.363 -17.887 1.00 0.00 N ATOM 717 CA SER A 51 17.417 18.410 -16.820 1.00 0.00 C ATOM 718 C SER A 51 18.045 19.107 -15.617 1.00 0.00 C ATOM 719 O SER A 51 18.546 18.454 -14.701 1.00 0.00 O ATOM 720 CB SER A 51 18.347 17.307 -17.328 1.00 0.00 C ATOM 721 OG SER A 51 17.608 16.188 -17.786 1.00 0.00 O ATOM 0 H SER A 51 17.941 19.906 -18.192 1.00 0.00 H new ATOM 0 HA SER A 51 16.473 17.965 -16.505 1.00 0.00 H new ATOM 0 HB2 SER A 51 18.967 17.693 -18.137 1.00 0.00 H new ATOM 0 HB3 SER A 51 19.022 16.999 -16.529 1.00 0.00 H new ATOM 0 HG SER A 51 17.682 15.459 -17.136 1.00 0.00 H new ATOM 727 N ASN A 52 18.016 20.436 -15.625 1.00 0.00 N ATOM 728 CA ASN A 52 18.582 21.219 -14.533 1.00 0.00 C ATOM 729 C ASN A 52 20.002 20.763 -14.216 1.00 0.00 C ATOM 730 O ASN A 52 20.442 20.820 -13.067 1.00 0.00 O ATOM 731 CB ASN A 52 17.703 21.099 -13.287 1.00 0.00 C ATOM 732 CG ASN A 52 18.209 21.949 -12.138 1.00 0.00 C ATOM 733 OD1 ASN A 52 18.872 21.453 -11.228 1.00 0.00 O ATOM 734 ND2 ASN A 52 17.895 23.239 -12.175 1.00 0.00 N ATOM 0 H ASN A 52 17.607 20.993 -16.375 1.00 0.00 H new ATOM 0 HA ASN A 52 18.618 22.263 -14.845 1.00 0.00 H new ATOM 0 HB2 ASN A 52 16.684 21.397 -13.534 1.00 0.00 H new ATOM 0 HB3 ASN A 52 17.663 20.056 -12.973 1.00 0.00 H new ATOM 0 HD21 ASN A 52 18.206 23.861 -11.429 1.00 0.00 H new ATOM 0 HD22 ASN A 52 17.343 23.607 -12.949 1.00 0.00 H new ATOM 741 N GLY A 53 20.716 20.311 -15.242 1.00 0.00 N ATOM 742 CA GLY A 53 22.080 19.852 -15.053 1.00 0.00 C ATOM 743 C GLY A 53 22.147 18.445 -14.494 1.00 0.00 C ATOM 744 O GLY A 53 21.634 18.176 -13.408 1.00 0.00 O ATOM 0 H GLY A 53 20.374 20.254 -16.201 1.00 0.00 H new ATOM 0 HA2 GLY A 53 22.607 19.886 -16.007 1.00 0.00 H new ATOM 0 HA3 GLY A 53 22.599 20.533 -14.378 1.00 0.00 H new ATOM 748 N GLU A 54 22.780 17.544 -15.238 1.00 0.00 N ATOM 749 CA GLU A 54 22.911 16.156 -14.813 1.00 0.00 C ATOM 750 C GLU A 54 23.909 15.412 -15.700 1.00 0.00 C ATOM 751 O GLU A 54 24.305 15.908 -16.755 1.00 0.00 O ATOM 752 CB GLU A 54 21.538 15.469 -14.834 1.00 0.00 C ATOM 753 CG GLU A 54 21.294 14.600 -16.058 1.00 0.00 C ATOM 754 CD GLU A 54 19.868 14.091 -16.137 1.00 0.00 C ATOM 755 OE1 GLU A 54 18.938 14.925 -16.122 1.00 0.00 O ATOM 756 OE2 GLU A 54 19.680 12.859 -16.212 1.00 0.00 O ATOM 0 H GLU A 54 23.211 17.751 -16.139 1.00 0.00 H new ATOM 0 HA GLU A 54 23.293 16.135 -13.792 1.00 0.00 H new ATOM 0 HB2 GLU A 54 21.438 14.854 -13.940 1.00 0.00 H new ATOM 0 HB3 GLU A 54 20.762 16.232 -14.784 1.00 0.00 H new ATOM 0 HG2 GLU A 54 21.522 15.173 -16.957 1.00 0.00 H new ATOM 0 HG3 GLU A 54 21.978 13.752 -16.039 1.00 0.00 H new ATOM 763 N PRO A 55 24.328 14.207 -15.282 1.00 0.00 N ATOM 764 CA PRO A 55 25.283 13.395 -16.043 1.00 0.00 C ATOM 765 C PRO A 55 24.744 13.003 -17.415 1.00 0.00 C ATOM 766 O PRO A 55 23.972 12.053 -17.541 1.00 0.00 O ATOM 767 CB PRO A 55 25.485 12.151 -15.170 1.00 0.00 C ATOM 768 CG PRO A 55 24.300 12.112 -14.267 1.00 0.00 C ATOM 769 CD PRO A 55 23.905 13.543 -14.039 1.00 0.00 C ATOM 0 HA PRO A 55 26.206 13.939 -16.243 1.00 0.00 H new ATOM 0 HB2 PRO A 55 25.547 11.249 -15.778 1.00 0.00 H new ATOM 0 HB3 PRO A 55 26.412 12.216 -14.601 1.00 0.00 H new ATOM 0 HG2 PRO A 55 23.483 11.549 -14.719 1.00 0.00 H new ATOM 0 HG3 PRO A 55 24.543 11.620 -13.325 1.00 0.00 H new ATOM 0 HD2 PRO A 55 22.832 13.644 -13.873 1.00 0.00 H new ATOM 0 HD3 PRO A 55 24.404 13.965 -13.166 1.00 0.00 H new ATOM 777 N CYS A 56 25.157 13.742 -18.440 1.00 0.00 N ATOM 778 CA CYS A 56 24.715 13.472 -19.803 1.00 0.00 C ATOM 779 C CYS A 56 24.873 11.992 -20.140 1.00 0.00 C ATOM 780 O CYS A 56 25.455 11.230 -19.370 1.00 0.00 O ATOM 781 CB CYS A 56 25.507 14.323 -20.798 1.00 0.00 C ATOM 782 SG CYS A 56 25.791 16.038 -20.251 1.00 0.00 S ATOM 0 H CYS A 56 25.797 14.532 -18.352 1.00 0.00 H new ATOM 0 HA CYS A 56 23.659 13.733 -19.876 1.00 0.00 H new ATOM 0 HB2 CYS A 56 26.471 13.847 -20.980 1.00 0.00 H new ATOM 0 HB3 CYS A 56 24.975 14.340 -21.749 1.00 0.00 H new ATOM 787 N VAL A 57 24.348 11.592 -21.294 1.00 0.00 N ATOM 788 CA VAL A 57 24.429 10.202 -21.727 1.00 0.00 C ATOM 789 C VAL A 57 25.022 10.092 -23.130 1.00 0.00 C ATOM 790 O VAL A 57 24.349 9.664 -24.068 1.00 0.00 O ATOM 791 CB VAL A 57 23.044 9.527 -21.710 1.00 0.00 C ATOM 792 CG1 VAL A 57 22.161 10.083 -22.816 1.00 0.00 C ATOM 793 CG2 VAL A 57 23.182 8.018 -21.836 1.00 0.00 C ATOM 0 H VAL A 57 23.863 12.210 -21.945 1.00 0.00 H new ATOM 0 HA VAL A 57 25.083 9.690 -21.021 1.00 0.00 H new ATOM 0 HB VAL A 57 22.568 9.747 -20.754 1.00 0.00 H new ATOM 0 HG11 VAL A 57 21.188 9.593 -22.786 1.00 0.00 H new ATOM 0 HG12 VAL A 57 22.031 11.156 -22.673 1.00 0.00 H new ATOM 0 HG13 VAL A 57 22.630 9.900 -23.783 1.00 0.00 H new ATOM 0 HG21 VAL A 57 22.193 7.560 -21.822 1.00 0.00 H new ATOM 0 HG22 VAL A 57 23.681 7.775 -22.774 1.00 0.00 H new ATOM 0 HG23 VAL A 57 23.771 7.636 -21.002 1.00 0.00 H new ATOM 803 N LEU A 58 26.286 10.477 -23.267 1.00 0.00 N ATOM 804 CA LEU A 58 26.963 10.416 -24.558 1.00 0.00 C ATOM 805 C LEU A 58 28.034 9.332 -24.564 1.00 0.00 C ATOM 806 O LEU A 58 28.389 8.785 -23.519 1.00 0.00 O ATOM 807 CB LEU A 58 27.590 11.769 -24.914 1.00 0.00 C ATOM 808 CG LEU A 58 27.729 12.763 -23.758 1.00 0.00 C ATOM 809 CD1 LEU A 58 26.365 13.130 -23.196 1.00 0.00 C ATOM 810 CD2 LEU A 58 28.626 12.194 -22.668 1.00 0.00 C ATOM 0 H LEU A 58 26.861 10.833 -22.504 1.00 0.00 H new ATOM 0 HA LEU A 58 26.213 10.169 -25.309 1.00 0.00 H new ATOM 0 HB2 LEU A 58 28.579 11.590 -25.336 1.00 0.00 H new ATOM 0 HB3 LEU A 58 26.989 12.232 -25.696 1.00 0.00 H new ATOM 0 HG LEU A 58 28.192 13.672 -24.142 1.00 0.00 H new ATOM 0 HD11 LEU A 58 26.488 13.837 -22.376 1.00 0.00 H new ATOM 0 HD12 LEU A 58 25.759 13.585 -23.980 1.00 0.00 H new ATOM 0 HD13 LEU A 58 25.869 12.231 -22.829 1.00 0.00 H new ATOM 0 HD21 LEU A 58 28.713 12.915 -21.855 1.00 0.00 H new ATOM 0 HD22 LEU A 58 28.194 11.268 -22.288 1.00 0.00 H new ATOM 0 HD23 LEU A 58 29.615 11.991 -23.080 1.00 0.00 H new ATOM 822 N PRO A 59 28.562 9.008 -25.753 1.00 0.00 N ATOM 823 CA PRO A 59 28.148 9.651 -27.003 1.00 0.00 C ATOM 824 C PRO A 59 26.740 9.246 -27.428 1.00 0.00 C ATOM 825 O PRO A 59 26.425 8.060 -27.518 1.00 0.00 O ATOM 826 CB PRO A 59 29.177 9.150 -28.017 1.00 0.00 C ATOM 827 CG PRO A 59 29.645 7.848 -27.468 1.00 0.00 C ATOM 828 CD PRO A 59 29.605 7.990 -25.971 1.00 0.00 C ATOM 0 HA PRO A 59 28.114 10.736 -26.910 1.00 0.00 H new ATOM 0 HB2 PRO A 59 28.732 9.027 -29.004 1.00 0.00 H new ATOM 0 HB3 PRO A 59 30.002 9.854 -28.125 1.00 0.00 H new ATOM 0 HG2 PRO A 59 29.003 7.032 -27.800 1.00 0.00 H new ATOM 0 HG3 PRO A 59 30.654 7.620 -27.811 1.00 0.00 H new ATOM 0 HD2 PRO A 59 29.355 7.047 -25.484 1.00 0.00 H new ATOM 0 HD3 PRO A 59 30.568 8.309 -25.572 1.00 0.00 H new ATOM 836 N PHE A 60 25.898 10.241 -27.694 1.00 0.00 N ATOM 837 CA PHE A 60 24.526 9.988 -28.117 1.00 0.00 C ATOM 838 C PHE A 60 24.372 10.247 -29.610 1.00 0.00 C ATOM 839 O PHE A 60 25.344 10.551 -30.300 1.00 0.00 O ATOM 840 CB PHE A 60 23.555 10.874 -27.335 1.00 0.00 C ATOM 841 CG PHE A 60 23.964 12.318 -27.298 1.00 0.00 C ATOM 842 CD1 PHE A 60 23.959 13.082 -28.454 1.00 0.00 C ATOM 843 CD2 PHE A 60 24.355 12.911 -26.109 1.00 0.00 C ATOM 844 CE1 PHE A 60 24.337 14.410 -28.425 1.00 0.00 C ATOM 845 CE2 PHE A 60 24.734 14.239 -26.073 1.00 0.00 C ATOM 846 CZ PHE A 60 24.725 14.989 -27.232 1.00 0.00 C ATOM 0 H PHE A 60 26.143 11.229 -27.624 1.00 0.00 H new ATOM 0 HA PHE A 60 24.294 8.943 -27.914 1.00 0.00 H new ATOM 0 HB2 PHE A 60 22.564 10.796 -27.781 1.00 0.00 H new ATOM 0 HB3 PHE A 60 23.475 10.500 -26.314 1.00 0.00 H new ATOM 0 HD1 PHE A 60 23.656 12.634 -29.389 1.00 0.00 H new ATOM 0 HD2 PHE A 60 24.364 12.329 -25.200 1.00 0.00 H new ATOM 0 HE1 PHE A 60 24.329 14.995 -29.333 1.00 0.00 H new ATOM 0 HE2 PHE A 60 25.037 14.690 -25.139 1.00 0.00 H new ATOM 0 HZ PHE A 60 25.021 16.027 -27.206 1.00 0.00 H new ATOM 856 N THR A 61 23.146 10.128 -30.104 1.00 0.00 N ATOM 857 CA THR A 61 22.872 10.353 -31.517 1.00 0.00 C ATOM 858 C THR A 61 21.802 11.423 -31.705 1.00 0.00 C ATOM 859 O THR A 61 20.693 11.305 -31.184 1.00 0.00 O ATOM 860 CB THR A 61 22.415 9.058 -32.214 1.00 0.00 C ATOM 861 OG1 THR A 61 22.656 7.932 -31.363 1.00 0.00 O ATOM 862 CG2 THR A 61 23.145 8.866 -33.534 1.00 0.00 C ATOM 0 H THR A 61 22.328 9.878 -29.549 1.00 0.00 H new ATOM 0 HA THR A 61 23.804 10.691 -31.970 1.00 0.00 H new ATOM 0 HB THR A 61 21.347 9.139 -32.416 1.00 0.00 H new ATOM 0 HG1 THR A 61 22.361 7.113 -31.813 1.00 0.00 H new ATOM 0 HG21 THR A 61 22.805 7.945 -34.007 1.00 0.00 H new ATOM 0 HG22 THR A 61 22.936 9.710 -34.191 1.00 0.00 H new ATOM 0 HG23 THR A 61 24.218 8.805 -33.351 1.00 0.00 H new ATOM 870 N TYR A 62 22.142 12.466 -32.454 1.00 0.00 N ATOM 871 CA TYR A 62 21.210 13.556 -32.715 1.00 0.00 C ATOM 872 C TYR A 62 21.315 14.023 -34.162 1.00 0.00 C ATOM 873 O TYR A 62 22.408 14.281 -34.664 1.00 0.00 O ATOM 874 CB TYR A 62 21.479 14.729 -31.771 1.00 0.00 C ATOM 875 CG TYR A 62 20.616 15.936 -32.056 1.00 0.00 C ATOM 876 CD1 TYR A 62 19.262 15.933 -31.747 1.00 0.00 C ATOM 877 CD2 TYR A 62 21.154 17.077 -32.638 1.00 0.00 C ATOM 878 CE1 TYR A 62 18.467 17.033 -32.010 1.00 0.00 C ATOM 879 CE2 TYR A 62 20.366 18.182 -32.903 1.00 0.00 C ATOM 880 CZ TYR A 62 19.024 18.154 -32.587 1.00 0.00 C ATOM 881 OH TYR A 62 18.237 19.251 -32.850 1.00 0.00 O ATOM 0 H TYR A 62 23.057 12.579 -32.891 1.00 0.00 H new ATOM 0 HA TYR A 62 20.200 13.184 -32.540 1.00 0.00 H new ATOM 0 HB2 TYR A 62 21.311 14.405 -30.744 1.00 0.00 H new ATOM 0 HB3 TYR A 62 22.528 15.015 -31.848 1.00 0.00 H new ATOM 0 HD1 TYR A 62 18.823 15.057 -31.294 1.00 0.00 H new ATOM 0 HD2 TYR A 62 22.205 17.101 -32.887 1.00 0.00 H new ATOM 0 HE1 TYR A 62 17.415 17.014 -31.765 1.00 0.00 H new ATOM 0 HE2 TYR A 62 20.799 19.062 -33.355 1.00 0.00 H new ATOM 0 HH TYR A 62 17.509 19.296 -32.195 1.00 0.00 H new ATOM 891 N ASN A 63 20.170 14.127 -34.827 1.00 0.00 N ATOM 892 CA ASN A 63 20.135 14.560 -36.218 1.00 0.00 C ATOM 893 C ASN A 63 20.700 13.482 -37.138 1.00 0.00 C ATOM 894 O ASN A 63 20.829 13.688 -38.345 1.00 0.00 O ATOM 895 CB ASN A 63 20.925 15.859 -36.388 1.00 0.00 C ATOM 896 CG ASN A 63 20.079 16.982 -36.951 1.00 0.00 C ATOM 897 OD1 ASN A 63 18.986 16.752 -37.470 1.00 0.00 O ATOM 898 ND2 ASN A 63 20.581 18.205 -36.849 1.00 0.00 N ATOM 0 H ASN A 63 19.256 13.918 -34.426 1.00 0.00 H new ATOM 0 HA ASN A 63 19.095 14.737 -36.493 1.00 0.00 H new ATOM 0 HB2 ASN A 63 21.331 16.163 -35.423 1.00 0.00 H new ATOM 0 HB3 ASN A 63 21.773 15.681 -37.049 1.00 0.00 H new ATOM 0 HD21 ASN A 63 20.057 19.003 -37.209 1.00 0.00 H new ATOM 0 HD22 ASN A 63 21.491 18.348 -36.411 1.00 0.00 H new ATOM 905 N GLY A 64 21.035 12.330 -36.562 1.00 0.00 N ATOM 906 CA GLY A 64 21.580 11.238 -37.348 1.00 0.00 C ATOM 907 C GLY A 64 23.055 11.006 -37.083 1.00 0.00 C ATOM 908 O GLY A 64 23.608 9.977 -37.472 1.00 0.00 O ATOM 0 H GLY A 64 20.939 12.134 -35.566 1.00 0.00 H new ATOM 0 HA2 GLY A 64 21.027 10.325 -37.127 1.00 0.00 H new ATOM 0 HA3 GLY A 64 21.434 11.450 -38.407 1.00 0.00 H new ATOM 912 N ARG A 65 23.693 11.964 -36.421 1.00 0.00 N ATOM 913 CA ARG A 65 25.113 11.860 -36.106 1.00 0.00 C ATOM 914 C ARG A 65 25.317 11.486 -34.641 1.00 0.00 C ATOM 915 O ARG A 65 24.377 11.074 -33.963 1.00 0.00 O ATOM 916 CB ARG A 65 25.821 13.179 -36.419 1.00 0.00 C ATOM 917 CG ARG A 65 25.274 14.364 -35.642 1.00 0.00 C ATOM 918 CD ARG A 65 24.491 15.307 -36.541 1.00 0.00 C ATOM 919 NE ARG A 65 24.965 16.684 -36.432 1.00 0.00 N ATOM 920 CZ ARG A 65 26.084 17.123 -36.998 1.00 0.00 C ATOM 921 NH1 ARG A 65 26.838 16.296 -37.709 1.00 0.00 N ATOM 922 NH2 ARG A 65 26.451 18.389 -36.852 1.00 0.00 N ATOM 0 H ARG A 65 23.250 12.822 -36.092 1.00 0.00 H new ATOM 0 HA ARG A 65 25.545 11.072 -36.723 1.00 0.00 H new ATOM 0 HB2 ARG A 65 26.884 13.072 -36.201 1.00 0.00 H new ATOM 0 HB3 ARG A 65 25.734 13.384 -37.486 1.00 0.00 H new ATOM 0 HG2 ARG A 65 24.630 14.007 -34.838 1.00 0.00 H new ATOM 0 HG3 ARG A 65 26.097 14.905 -35.175 1.00 0.00 H new ATOM 0 HD2 ARG A 65 24.575 14.975 -37.576 1.00 0.00 H new ATOM 0 HD3 ARG A 65 23.434 15.265 -36.278 1.00 0.00 H new ATOM 0 HE ARG A 65 24.406 17.345 -35.892 1.00 0.00 H new ATOM 0 HH11 ARG A 65 26.559 15.321 -37.822 1.00 0.00 H new ATOM 0 HH12 ARG A 65 27.697 16.634 -38.143 1.00 0.00 H new ATOM 0 HH21 ARG A 65 25.874 19.027 -36.304 1.00 0.00 H new ATOM 0 HH22 ARG A 65 27.310 18.724 -37.287 1.00 0.00 H new ATOM 936 N THR A 66 26.548 11.627 -34.158 1.00 0.00 N ATOM 937 CA THR A 66 26.864 11.296 -32.772 1.00 0.00 C ATOM 938 C THR A 66 27.654 12.412 -32.097 1.00 0.00 C ATOM 939 O THR A 66 28.360 13.174 -32.757 1.00 0.00 O ATOM 940 CB THR A 66 27.667 9.986 -32.680 1.00 0.00 C ATOM 941 OG1 THR A 66 26.941 8.922 -33.305 1.00 0.00 O ATOM 942 CG2 THR A 66 27.952 9.625 -31.230 1.00 0.00 C ATOM 0 H THR A 66 27.340 11.967 -34.703 1.00 0.00 H new ATOM 0 HA THR A 66 25.912 11.172 -32.255 1.00 0.00 H new ATOM 0 HB THR A 66 28.616 10.132 -33.195 1.00 0.00 H new ATOM 0 HG1 THR A 66 27.459 8.092 -33.244 1.00 0.00 H new ATOM 0 HG21 THR A 66 28.520 8.696 -31.191 1.00 0.00 H new ATOM 0 HG22 THR A 66 28.529 10.423 -30.763 1.00 0.00 H new ATOM 0 HG23 THR A 66 27.011 9.497 -30.695 1.00 0.00 H new ATOM 950 N PHE A 67 27.530 12.501 -30.776 1.00 0.00 N ATOM 951 CA PHE A 67 28.231 13.522 -30.005 1.00 0.00 C ATOM 952 C PHE A 67 28.678 12.969 -28.656 1.00 0.00 C ATOM 953 O PHE A 67 27.852 12.567 -27.837 1.00 0.00 O ATOM 954 CB PHE A 67 27.331 14.739 -29.794 1.00 0.00 C ATOM 955 CG PHE A 67 26.584 15.153 -31.027 1.00 0.00 C ATOM 956 CD1 PHE A 67 25.492 14.424 -31.469 1.00 0.00 C ATOM 957 CD2 PHE A 67 26.973 16.273 -31.744 1.00 0.00 C ATOM 958 CE1 PHE A 67 24.802 14.804 -32.603 1.00 0.00 C ATOM 959 CE2 PHE A 67 26.286 16.657 -32.880 1.00 0.00 C ATOM 960 CZ PHE A 67 25.199 15.922 -33.309 1.00 0.00 C ATOM 0 H PHE A 67 26.949 11.877 -30.216 1.00 0.00 H new ATOM 0 HA PHE A 67 29.114 13.825 -30.567 1.00 0.00 H new ATOM 0 HB2 PHE A 67 26.615 14.518 -29.002 1.00 0.00 H new ATOM 0 HB3 PHE A 67 27.939 15.575 -29.450 1.00 0.00 H new ATOM 0 HD1 PHE A 67 25.177 13.549 -30.920 1.00 0.00 H new ATOM 0 HD2 PHE A 67 27.822 16.852 -31.412 1.00 0.00 H new ATOM 0 HE1 PHE A 67 23.952 14.227 -32.937 1.00 0.00 H new ATOM 0 HE2 PHE A 67 26.599 17.531 -33.432 1.00 0.00 H new ATOM 0 HZ PHE A 67 24.660 16.221 -34.196 1.00 0.00 H new ATOM 970 N TYR A 68 29.988 12.952 -28.431 1.00 0.00 N ATOM 971 CA TYR A 68 30.541 12.445 -27.181 1.00 0.00 C ATOM 972 C TYR A 68 30.485 13.505 -26.083 1.00 0.00 C ATOM 973 O TYR A 68 30.989 13.293 -24.980 1.00 0.00 O ATOM 974 CB TYR A 68 31.987 11.991 -27.390 1.00 0.00 C ATOM 975 CG TYR A 68 32.127 10.789 -28.300 1.00 0.00 C ATOM 976 CD1 TYR A 68 31.578 10.789 -29.576 1.00 0.00 C ATOM 977 CD2 TYR A 68 32.815 9.657 -27.883 1.00 0.00 C ATOM 978 CE1 TYR A 68 31.710 9.694 -30.409 1.00 0.00 C ATOM 979 CE2 TYR A 68 32.951 8.558 -28.709 1.00 0.00 C ATOM 980 CZ TYR A 68 32.397 8.582 -29.972 1.00 0.00 C ATOM 981 OH TYR A 68 32.530 7.490 -30.799 1.00 0.00 O ATOM 0 H TYR A 68 30.685 13.283 -29.098 1.00 0.00 H new ATOM 0 HA TYR A 68 29.937 11.594 -26.867 1.00 0.00 H new ATOM 0 HB2 TYR A 68 32.561 12.819 -27.807 1.00 0.00 H new ATOM 0 HB3 TYR A 68 32.427 11.754 -26.421 1.00 0.00 H new ATOM 0 HD1 TYR A 68 31.039 11.659 -29.923 1.00 0.00 H new ATOM 0 HD2 TYR A 68 33.252 9.635 -26.895 1.00 0.00 H new ATOM 0 HE1 TYR A 68 31.277 9.710 -31.398 1.00 0.00 H new ATOM 0 HE2 TYR A 68 33.488 7.685 -28.368 1.00 0.00 H new ATOM 0 HH TYR A 68 33.284 7.631 -31.409 1.00 0.00 H new ATOM 991 N SER A 69 29.872 14.645 -26.389 1.00 0.00 N ATOM 992 CA SER A 69 29.757 15.732 -25.421 1.00 0.00 C ATOM 993 C SER A 69 28.745 16.776 -25.883 1.00 0.00 C ATOM 994 O SER A 69 28.061 16.590 -26.890 1.00 0.00 O ATOM 995 CB SER A 69 31.120 16.390 -25.201 1.00 0.00 C ATOM 996 OG SER A 69 32.144 15.682 -25.877 1.00 0.00 O ATOM 0 H SER A 69 29.449 14.840 -27.296 1.00 0.00 H new ATOM 0 HA SER A 69 29.406 15.308 -24.480 1.00 0.00 H new ATOM 0 HB2 SER A 69 31.091 17.420 -25.556 1.00 0.00 H new ATOM 0 HB3 SER A 69 31.342 16.426 -24.134 1.00 0.00 H new ATOM 0 HG SER A 69 33.005 16.124 -25.722 1.00 0.00 H new ATOM 1002 N CYS A 70 28.656 17.875 -25.139 1.00 0.00 N ATOM 1003 CA CYS A 70 27.732 18.951 -25.467 1.00 0.00 C ATOM 1004 C CYS A 70 27.826 19.321 -26.944 1.00 0.00 C ATOM 1005 O CYS A 70 28.693 18.827 -27.663 1.00 0.00 O ATOM 1006 CB CYS A 70 28.024 20.175 -24.599 1.00 0.00 C ATOM 1007 SG CYS A 70 28.024 19.836 -22.808 1.00 0.00 S ATOM 0 H CYS A 70 29.215 18.042 -24.303 1.00 0.00 H new ATOM 0 HA CYS A 70 26.718 18.604 -25.267 1.00 0.00 H new ATOM 0 HB2 CYS A 70 28.995 20.583 -24.880 1.00 0.00 H new ATOM 0 HB3 CYS A 70 27.281 20.944 -24.812 1.00 0.00 H new ATOM 1012 N THR A 71 26.926 20.190 -27.389 1.00 0.00 N ATOM 1013 CA THR A 71 26.906 20.623 -28.781 1.00 0.00 C ATOM 1014 C THR A 71 25.773 21.611 -29.033 1.00 0.00 C ATOM 1015 O THR A 71 24.790 21.647 -28.292 1.00 0.00 O ATOM 1016 CB THR A 71 26.750 19.427 -29.737 1.00 0.00 C ATOM 1017 OG1 THR A 71 27.096 19.816 -31.072 1.00 0.00 O ATOM 1018 CG2 THR A 71 25.323 18.900 -29.711 1.00 0.00 C ATOM 0 H THR A 71 26.201 20.608 -26.806 1.00 0.00 H new ATOM 0 HA THR A 71 27.861 21.112 -28.974 1.00 0.00 H new ATOM 0 HB THR A 71 27.421 18.635 -29.406 1.00 0.00 H new ATOM 0 HG1 THR A 71 27.168 19.018 -31.637 1.00 0.00 H new ATOM 0 HG21 THR A 71 25.235 18.055 -30.394 1.00 0.00 H new ATOM 0 HG22 THR A 71 25.073 18.578 -28.700 1.00 0.00 H new ATOM 0 HG23 THR A 71 24.638 19.689 -30.020 1.00 0.00 H new ATOM 1026 N THR A 72 25.916 22.411 -30.084 1.00 0.00 N ATOM 1027 CA THR A 72 24.904 23.398 -30.435 1.00 0.00 C ATOM 1028 C THR A 72 24.348 23.140 -31.832 1.00 0.00 C ATOM 1029 O THR A 72 24.117 24.072 -32.602 1.00 0.00 O ATOM 1030 CB THR A 72 25.471 24.828 -30.374 1.00 0.00 C ATOM 1031 OG1 THR A 72 26.882 24.807 -30.625 1.00 0.00 O ATOM 1032 CG2 THR A 72 25.203 25.460 -29.015 1.00 0.00 C ATOM 0 H THR A 72 26.723 22.395 -30.707 1.00 0.00 H new ATOM 0 HA THR A 72 24.101 23.304 -29.705 1.00 0.00 H new ATOM 0 HB THR A 72 24.974 25.424 -31.139 1.00 0.00 H new ATOM 0 HG1 THR A 72 27.235 25.720 -30.586 1.00 0.00 H new ATOM 0 HG21 THR A 72 25.613 26.470 -28.996 1.00 0.00 H new ATOM 0 HG22 THR A 72 24.128 25.501 -28.839 1.00 0.00 H new ATOM 0 HG23 THR A 72 25.676 24.862 -28.236 1.00 0.00 H new ATOM 1040 N GLU A 73 24.138 21.867 -32.151 1.00 0.00 N ATOM 1041 CA GLU A 73 23.612 21.480 -33.456 1.00 0.00 C ATOM 1042 C GLU A 73 22.094 21.330 -33.416 1.00 0.00 C ATOM 1043 O GLU A 73 21.480 20.871 -34.380 1.00 0.00 O ATOM 1044 CB GLU A 73 24.251 20.169 -33.913 1.00 0.00 C ATOM 1045 CG GLU A 73 25.742 20.284 -34.182 1.00 0.00 C ATOM 1046 CD GLU A 73 26.051 21.166 -35.377 1.00 0.00 C ATOM 1047 OE1 GLU A 73 25.651 20.801 -36.503 1.00 0.00 O ATOM 1048 OE2 GLU A 73 26.693 22.220 -35.187 1.00 0.00 O ATOM 0 H GLU A 73 24.324 21.085 -31.523 1.00 0.00 H new ATOM 0 HA GLU A 73 23.859 22.269 -34.166 1.00 0.00 H new ATOM 0 HB2 GLU A 73 24.085 19.408 -33.151 1.00 0.00 H new ATOM 0 HB3 GLU A 73 23.751 19.827 -34.819 1.00 0.00 H new ATOM 0 HG2 GLU A 73 26.237 20.688 -33.299 1.00 0.00 H new ATOM 0 HG3 GLU A 73 26.155 19.290 -34.352 1.00 0.00 H new ATOM 1055 N GLY A 74 21.493 21.716 -32.296 1.00 0.00 N ATOM 1056 CA GLY A 74 20.053 21.612 -32.156 1.00 0.00 C ATOM 1057 C GLY A 74 19.378 22.964 -32.033 1.00 0.00 C ATOM 1058 O GLY A 74 18.155 23.045 -31.913 1.00 0.00 O ATOM 0 H GLY A 74 21.977 22.099 -31.484 1.00 0.00 H new ATOM 0 HA2 GLY A 74 19.645 21.084 -33.018 1.00 0.00 H new ATOM 0 HA3 GLY A 74 19.820 21.013 -31.276 1.00 0.00 H new ATOM 1122 N HIS A 79 23.994 27.948 -27.736 1.00 0.00 N ATOM 1123 CA HIS A 79 24.051 27.430 -26.374 1.00 0.00 C ATOM 1124 C HIS A 79 24.357 25.937 -26.376 1.00 0.00 C ATOM 1125 O HIS A 79 23.586 25.135 -26.902 1.00 0.00 O ATOM 1126 CB HIS A 79 22.730 27.692 -25.648 1.00 0.00 C ATOM 1127 CG HIS A 79 22.315 29.131 -25.657 1.00 0.00 C ATOM 1128 ND1 HIS A 79 22.999 30.107 -26.350 1.00 0.00 N ATOM 1129 CD2 HIS A 79 21.277 29.759 -25.054 1.00 0.00 C ATOM 1130 CE1 HIS A 79 22.402 31.272 -26.172 1.00 0.00 C ATOM 1131 NE2 HIS A 79 21.354 31.088 -25.390 1.00 0.00 N ATOM 0 HA HIS A 79 24.853 27.948 -25.848 1.00 0.00 H new ATOM 0 HB2 HIS A 79 21.946 27.094 -26.112 1.00 0.00 H new ATOM 0 HB3 HIS A 79 22.820 27.355 -24.615 1.00 0.00 H new ATOM 0 HD1 HIS A 79 23.836 29.953 -26.913 1.00 0.00 H new ATOM 0 HD2 HIS A 79 20.528 29.300 -24.426 1.00 0.00 H new ATOM 0 HE1 HIS A 79 22.717 32.215 -26.594 1.00 0.00 H new ATOM 1140 N LEU A 80 25.488 25.570 -25.785 1.00 0.00 N ATOM 1141 CA LEU A 80 25.897 24.174 -25.717 1.00 0.00 C ATOM 1142 C LEU A 80 24.924 23.366 -24.868 1.00 0.00 C ATOM 1143 O LEU A 80 24.515 23.801 -23.792 1.00 0.00 O ATOM 1144 CB LEU A 80 27.307 24.066 -25.135 1.00 0.00 C ATOM 1145 CG LEU A 80 28.443 24.334 -26.124 1.00 0.00 C ATOM 1146 CD1 LEU A 80 28.419 25.784 -26.583 1.00 0.00 C ATOM 1147 CD2 LEU A 80 29.785 23.995 -25.494 1.00 0.00 C ATOM 0 H LEU A 80 26.138 26.221 -25.346 1.00 0.00 H new ATOM 0 HA LEU A 80 25.894 23.768 -26.729 1.00 0.00 H new ATOM 0 HB2 LEU A 80 27.395 24.768 -24.306 1.00 0.00 H new ATOM 0 HB3 LEU A 80 27.436 23.066 -24.721 1.00 0.00 H new ATOM 0 HG LEU A 80 28.300 23.696 -26.996 1.00 0.00 H new ATOM 0 HD11 LEU A 80 29.234 25.957 -27.286 1.00 0.00 H new ATOM 0 HD12 LEU A 80 27.468 25.995 -27.071 1.00 0.00 H new ATOM 0 HD13 LEU A 80 28.538 26.440 -25.721 1.00 0.00 H new ATOM 0 HD21 LEU A 80 30.583 24.191 -26.210 1.00 0.00 H new ATOM 0 HD22 LEU A 80 29.935 24.609 -24.606 1.00 0.00 H new ATOM 0 HD23 LEU A 80 29.800 22.942 -25.214 1.00 0.00 H new ATOM 1159 N TRP A 81 24.555 22.187 -25.357 1.00 0.00 N ATOM 1160 CA TRP A 81 23.629 21.322 -24.636 1.00 0.00 C ATOM 1161 C TRP A 81 23.992 19.853 -24.823 1.00 0.00 C ATOM 1162 O TRP A 81 24.632 19.481 -25.807 1.00 0.00 O ATOM 1163 CB TRP A 81 22.195 21.569 -25.108 1.00 0.00 C ATOM 1164 CG TRP A 81 21.990 21.273 -26.562 1.00 0.00 C ATOM 1165 CD1 TRP A 81 22.113 22.149 -27.602 1.00 0.00 C ATOM 1166 CD2 TRP A 81 21.624 20.013 -27.137 1.00 0.00 C ATOM 1167 NE1 TRP A 81 21.848 21.511 -28.789 1.00 0.00 N ATOM 1168 CE2 TRP A 81 21.545 20.199 -28.531 1.00 0.00 C ATOM 1169 CE3 TRP A 81 21.357 18.746 -26.611 1.00 0.00 C ATOM 1170 CZ2 TRP A 81 21.210 19.166 -29.402 1.00 0.00 C ATOM 1171 CZ3 TRP A 81 21.025 17.722 -27.477 1.00 0.00 C ATOM 1172 CH2 TRP A 81 20.954 17.937 -28.859 1.00 0.00 C ATOM 0 H TRP A 81 24.882 21.810 -26.247 1.00 0.00 H new ATOM 0 HA TRP A 81 23.703 21.561 -23.575 1.00 0.00 H new ATOM 0 HB2 TRP A 81 21.515 20.953 -24.520 1.00 0.00 H new ATOM 0 HB3 TRP A 81 21.931 22.609 -24.915 1.00 0.00 H new ATOM 0 HD1 TRP A 81 22.380 23.191 -27.505 1.00 0.00 H new ATOM 0 HE1 TRP A 81 21.873 21.943 -29.713 1.00 0.00 H new ATOM 0 HE3 TRP A 81 21.409 18.571 -25.547 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 21.154 19.329 -30.468 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 20.817 16.739 -27.081 1.00 0.00 H new ATOM 0 HH2 TRP A 81 20.692 17.116 -29.509 1.00 0.00 H new ATOM 1183 N CYS A 82 23.577 19.023 -23.871 1.00 0.00 N ATOM 1184 CA CYS A 82 23.855 17.592 -23.927 1.00 0.00 C ATOM 1185 C CYS A 82 22.592 16.782 -23.651 1.00 0.00 C ATOM 1186 O CYS A 82 21.536 17.341 -23.357 1.00 0.00 O ATOM 1187 CB CYS A 82 24.940 17.222 -22.914 1.00 0.00 C ATOM 1188 SG CYS A 82 24.340 17.096 -21.198 1.00 0.00 S ATOM 0 H CYS A 82 23.047 19.317 -23.051 1.00 0.00 H new ATOM 0 HA CYS A 82 24.207 17.355 -24.931 1.00 0.00 H new ATOM 0 HB2 CYS A 82 25.384 16.269 -23.204 1.00 0.00 H new ATOM 0 HB3 CYS A 82 25.733 17.969 -22.957 1.00 0.00 H new ATOM 1193 N SER A 83 22.709 15.461 -23.746 1.00 0.00 N ATOM 1194 CA SER A 83 21.576 14.575 -23.504 1.00 0.00 C ATOM 1195 C SER A 83 21.772 13.786 -22.213 1.00 0.00 C ATOM 1196 O SER A 83 22.899 13.476 -21.828 1.00 0.00 O ATOM 1197 CB SER A 83 21.389 13.615 -24.680 1.00 0.00 C ATOM 1198 OG SER A 83 21.248 12.278 -24.233 1.00 0.00 O ATOM 0 H SER A 83 23.576 14.981 -23.989 1.00 0.00 H new ATOM 0 HA SER A 83 20.681 15.189 -23.403 1.00 0.00 H new ATOM 0 HB2 SER A 83 20.508 13.905 -25.253 1.00 0.00 H new ATOM 0 HB3 SER A 83 22.244 13.688 -25.352 1.00 0.00 H new ATOM 0 HG SER A 83 21.129 11.686 -25.005 1.00 0.00 H new ATOM 1204 N THR A 84 20.667 13.464 -21.548 1.00 0.00 N ATOM 1205 CA THR A 84 20.717 12.712 -20.300 1.00 0.00 C ATOM 1206 C THR A 84 20.015 11.365 -20.437 1.00 0.00 C ATOM 1207 O THR A 84 20.064 10.533 -19.530 1.00 0.00 O ATOM 1208 CB THR A 84 20.073 13.499 -19.143 1.00 0.00 C ATOM 1209 OG1 THR A 84 18.649 13.517 -19.296 1.00 0.00 O ATOM 1210 CG2 THR A 84 20.602 14.926 -19.097 1.00 0.00 C ATOM 0 H THR A 84 19.726 13.712 -21.853 1.00 0.00 H new ATOM 0 HA THR A 84 21.771 12.546 -20.075 1.00 0.00 H new ATOM 0 HB THR A 84 20.331 13.003 -18.207 1.00 0.00 H new ATOM 0 HG1 THR A 84 18.282 14.310 -18.852 1.00 0.00 H new ATOM 0 HG21 THR A 84 20.133 15.462 -18.272 1.00 0.00 H new ATOM 0 HG22 THR A 84 21.682 14.909 -18.951 1.00 0.00 H new ATOM 0 HG23 THR A 84 20.371 15.430 -20.035 1.00 0.00 H new ATOM 1218 N THR A 85 19.365 11.154 -21.577 1.00 0.00 N ATOM 1219 CA THR A 85 18.655 9.906 -21.835 1.00 0.00 C ATOM 1220 C THR A 85 19.096 9.294 -23.161 1.00 0.00 C ATOM 1221 O THR A 85 18.986 9.924 -24.213 1.00 0.00 O ATOM 1222 CB THR A 85 17.130 10.123 -21.864 1.00 0.00 C ATOM 1223 OG1 THR A 85 16.699 10.735 -20.642 1.00 0.00 O ATOM 1224 CG2 THR A 85 16.397 8.804 -22.061 1.00 0.00 C ATOM 0 H THR A 85 19.315 11.832 -22.338 1.00 0.00 H new ATOM 0 HA THR A 85 18.900 9.224 -21.021 1.00 0.00 H new ATOM 0 HB THR A 85 16.896 10.779 -22.702 1.00 0.00 H new ATOM 0 HG1 THR A 85 15.729 10.871 -20.669 1.00 0.00 H new ATOM 0 HG21 THR A 85 15.322 8.984 -22.078 1.00 0.00 H new ATOM 0 HG22 THR A 85 16.705 8.354 -23.005 1.00 0.00 H new ATOM 0 HG23 THR A 85 16.639 8.127 -21.241 1.00 0.00 H new ATOM 1232 N SER A 86 19.595 8.063 -23.105 1.00 0.00 N ATOM 1233 CA SER A 86 20.051 7.370 -24.305 1.00 0.00 C ATOM 1234 C SER A 86 19.109 7.639 -25.472 1.00 0.00 C ATOM 1235 O SER A 86 19.522 7.635 -26.632 1.00 0.00 O ATOM 1236 CB SER A 86 20.147 5.866 -24.046 1.00 0.00 C ATOM 1237 OG SER A 86 20.107 5.582 -22.658 1.00 0.00 O ATOM 0 H SER A 86 19.694 7.526 -22.244 1.00 0.00 H new ATOM 0 HA SER A 86 21.040 7.748 -24.563 1.00 0.00 H new ATOM 0 HB2 SER A 86 19.326 5.355 -24.548 1.00 0.00 H new ATOM 0 HB3 SER A 86 21.072 5.479 -24.473 1.00 0.00 H new ATOM 0 HG SER A 86 20.168 4.614 -22.520 1.00 0.00 H new ATOM 1243 N ASN A 87 17.840 7.873 -25.155 1.00 0.00 N ATOM 1244 CA ASN A 87 16.833 8.146 -26.172 1.00 0.00 C ATOM 1245 C ASN A 87 16.359 9.594 -26.097 1.00 0.00 C ATOM 1246 O ASN A 87 15.292 9.878 -25.552 1.00 0.00 O ATOM 1247 CB ASN A 87 15.643 7.200 -26.000 1.00 0.00 C ATOM 1248 CG ASN A 87 15.175 6.611 -27.316 1.00 0.00 C ATOM 1249 OD1 ASN A 87 15.039 7.320 -28.313 1.00 0.00 O ATOM 1250 ND2 ASN A 87 14.927 5.307 -27.325 1.00 0.00 N ATOM 0 H ASN A 87 17.485 7.879 -24.199 1.00 0.00 H new ATOM 0 HA ASN A 87 17.285 7.983 -27.150 1.00 0.00 H new ATOM 0 HB2 ASN A 87 15.920 6.393 -25.322 1.00 0.00 H new ATOM 0 HB3 ASN A 87 14.819 7.739 -25.533 1.00 0.00 H new ATOM 0 HD21 ASN A 87 14.610 4.854 -28.182 1.00 0.00 H new ATOM 0 HD22 ASN A 87 15.053 4.758 -26.475 1.00 0.00 H new ATOM 1257 N TYR A 88 17.153 10.506 -26.649 1.00 0.00 N ATOM 1258 CA TYR A 88 16.805 11.921 -26.644 1.00 0.00 C ATOM 1259 C TYR A 88 15.742 12.213 -27.695 1.00 0.00 C ATOM 1260 O TYR A 88 14.986 13.178 -27.579 1.00 0.00 O ATOM 1261 CB TYR A 88 18.045 12.779 -26.903 1.00 0.00 C ATOM 1262 CG TYR A 88 17.724 14.178 -27.379 1.00 0.00 C ATOM 1263 CD1 TYR A 88 17.515 15.211 -26.473 1.00 0.00 C ATOM 1264 CD2 TYR A 88 17.627 14.465 -28.735 1.00 0.00 C ATOM 1265 CE1 TYR A 88 17.219 16.490 -26.905 1.00 0.00 C ATOM 1266 CE2 TYR A 88 17.333 15.741 -29.175 1.00 0.00 C ATOM 1267 CZ TYR A 88 17.129 16.749 -28.256 1.00 0.00 C ATOM 1268 OH TYR A 88 16.834 18.021 -28.691 1.00 0.00 O ATOM 0 H TYR A 88 18.040 10.290 -27.104 1.00 0.00 H new ATOM 0 HA TYR A 88 16.405 12.170 -25.661 1.00 0.00 H new ATOM 0 HB2 TYR A 88 18.631 12.842 -25.986 1.00 0.00 H new ATOM 0 HB3 TYR A 88 18.669 12.285 -27.648 1.00 0.00 H new ATOM 0 HD1 TYR A 88 17.585 15.011 -25.414 1.00 0.00 H new ATOM 0 HD2 TYR A 88 17.784 13.677 -29.457 1.00 0.00 H new ATOM 0 HE1 TYR A 88 17.059 17.282 -26.188 1.00 0.00 H new ATOM 0 HE2 TYR A 88 17.263 15.948 -30.233 1.00 0.00 H new ATOM 0 HH TYR A 88 16.809 18.034 -29.671 1.00 0.00 H new ATOM 1278 N GLU A 89 15.687 11.368 -28.719 1.00 0.00 N ATOM 1279 CA GLU A 89 14.715 11.529 -29.791 1.00 0.00 C ATOM 1280 C GLU A 89 13.334 11.047 -29.352 1.00 0.00 C ATOM 1281 O GLU A 89 12.358 11.172 -30.092 1.00 0.00 O ATOM 1282 CB GLU A 89 15.163 10.763 -31.038 1.00 0.00 C ATOM 1283 CG GLU A 89 16.480 11.257 -31.615 1.00 0.00 C ATOM 1284 CD GLU A 89 17.149 10.227 -32.504 1.00 0.00 C ATOM 1285 OE1 GLU A 89 16.828 9.028 -32.369 1.00 0.00 O ATOM 1286 OE2 GLU A 89 17.993 10.620 -33.336 1.00 0.00 O ATOM 0 H GLU A 89 16.305 10.564 -28.828 1.00 0.00 H new ATOM 0 HA GLU A 89 14.651 12.590 -30.030 1.00 0.00 H new ATOM 0 HB2 GLU A 89 15.258 9.706 -30.790 1.00 0.00 H new ATOM 0 HB3 GLU A 89 14.389 10.843 -31.801 1.00 0.00 H new ATOM 0 HG2 GLU A 89 16.303 12.167 -32.189 1.00 0.00 H new ATOM 0 HG3 GLU A 89 17.154 11.521 -30.800 1.00 0.00 H new ATOM 1293 N GLN A 90 13.261 10.497 -28.143 1.00 0.00 N ATOM 1294 CA GLN A 90 12.002 9.997 -27.603 1.00 0.00 C ATOM 1295 C GLN A 90 11.639 10.736 -26.317 1.00 0.00 C ATOM 1296 O GLN A 90 10.470 11.028 -26.064 1.00 0.00 O ATOM 1297 CB GLN A 90 12.103 8.482 -27.355 1.00 0.00 C ATOM 1298 CG GLN A 90 11.459 8.008 -26.058 1.00 0.00 C ATOM 1299 CD GLN A 90 9.945 8.054 -26.106 1.00 0.00 C ATOM 1300 OE1 GLN A 90 9.340 7.892 -27.166 1.00 0.00 O ATOM 1301 NE2 GLN A 90 9.323 8.275 -24.953 1.00 0.00 N ATOM 0 H GLN A 90 14.060 10.387 -27.519 1.00 0.00 H new ATOM 0 HA GLN A 90 11.209 10.178 -28.329 1.00 0.00 H new ATOM 0 HB2 GLN A 90 11.637 7.958 -28.190 1.00 0.00 H new ATOM 0 HB3 GLN A 90 13.155 8.197 -27.348 1.00 0.00 H new ATOM 0 HG2 GLN A 90 11.781 6.988 -25.849 1.00 0.00 H new ATOM 0 HG3 GLN A 90 11.811 8.629 -25.234 1.00 0.00 H new ATOM 0 HE21 GLN A 90 9.864 8.404 -24.098 1.00 0.00 H new ATOM 0 HE22 GLN A 90 8.304 8.316 -24.923 1.00 0.00 H new ATOM 1310 N ASP A 91 12.650 11.031 -25.508 1.00 0.00 N ATOM 1311 CA ASP A 91 12.441 11.733 -24.247 1.00 0.00 C ATOM 1312 C ASP A 91 12.674 13.231 -24.413 1.00 0.00 C ATOM 1313 O ASP A 91 11.905 14.048 -23.908 1.00 0.00 O ATOM 1314 CB ASP A 91 13.374 11.174 -23.171 1.00 0.00 C ATOM 1315 CG ASP A 91 13.250 9.671 -23.024 1.00 0.00 C ATOM 1316 OD1 ASP A 91 13.649 8.948 -23.961 1.00 0.00 O ATOM 1317 OD2 ASP A 91 12.754 9.216 -21.972 1.00 0.00 O ATOM 0 H ASP A 91 13.623 10.795 -25.703 1.00 0.00 H new ATOM 0 HA ASP A 91 11.407 11.578 -23.939 1.00 0.00 H new ATOM 0 HB2 ASP A 91 14.404 11.428 -23.419 1.00 0.00 H new ATOM 0 HB3 ASP A 91 13.149 11.650 -22.216 1.00 0.00 H new ATOM 1322 N GLN A 92 13.741 13.583 -25.122 1.00 0.00 N ATOM 1323 CA GLN A 92 14.076 14.983 -25.354 1.00 0.00 C ATOM 1324 C GLN A 92 14.775 15.587 -24.140 1.00 0.00 C ATOM 1325 O GLN A 92 15.037 16.789 -24.098 1.00 0.00 O ATOM 1326 CB GLN A 92 12.813 15.782 -25.680 1.00 0.00 C ATOM 1327 CG GLN A 92 12.894 16.537 -26.997 1.00 0.00 C ATOM 1328 CD GLN A 92 13.426 15.679 -28.128 1.00 0.00 C ATOM 1329 OE1 GLN A 92 14.260 16.121 -28.919 1.00 0.00 O ATOM 1330 NE2 GLN A 92 12.945 14.443 -28.211 1.00 0.00 N ATOM 0 H GLN A 92 14.388 12.918 -25.546 1.00 0.00 H new ATOM 0 HA GLN A 92 14.759 15.031 -26.202 1.00 0.00 H new ATOM 0 HB2 GLN A 92 11.961 15.102 -25.712 1.00 0.00 H new ATOM 0 HB3 GLN A 92 12.624 16.492 -24.875 1.00 0.00 H new ATOM 0 HG2 GLN A 92 11.903 16.907 -27.261 1.00 0.00 H new ATOM 0 HG3 GLN A 92 13.537 17.408 -26.873 1.00 0.00 H new ATOM 0 HE21 GLN A 92 12.255 14.118 -27.534 1.00 0.00 H new ATOM 0 HE22 GLN A 92 13.266 13.819 -28.952 1.00 0.00 H new ATOM 1339 N LYS A 93 15.076 14.748 -23.154 1.00 0.00 N ATOM 1340 CA LYS A 93 15.746 15.203 -21.941 1.00 0.00 C ATOM 1341 C LYS A 93 17.176 15.630 -22.247 1.00 0.00 C ATOM 1342 O LYS A 93 18.039 14.796 -22.522 1.00 0.00 O ATOM 1343 CB LYS A 93 15.741 14.095 -20.885 1.00 0.00 C ATOM 1344 CG LYS A 93 14.385 13.877 -20.227 1.00 0.00 C ATOM 1345 CD LYS A 93 13.240 14.290 -21.142 1.00 0.00 C ATOM 1346 CE LYS A 93 11.891 13.896 -20.562 1.00 0.00 C ATOM 1347 NZ LYS A 93 10.824 14.867 -20.933 1.00 0.00 N ATOM 0 H LYS A 93 14.867 13.750 -23.171 1.00 0.00 H new ATOM 0 HA LYS A 93 15.204 16.064 -21.551 1.00 0.00 H new ATOM 0 HB2 LYS A 93 16.063 13.163 -21.349 1.00 0.00 H new ATOM 0 HB3 LYS A 93 16.473 14.337 -20.115 1.00 0.00 H new ATOM 0 HG2 LYS A 93 14.276 12.826 -19.959 1.00 0.00 H new ATOM 0 HG3 LYS A 93 14.334 14.449 -19.300 1.00 0.00 H new ATOM 0 HD2 LYS A 93 13.269 15.368 -21.298 1.00 0.00 H new ATOM 0 HD3 LYS A 93 13.367 13.823 -22.119 1.00 0.00 H new ATOM 0 HE2 LYS A 93 11.618 12.903 -20.918 1.00 0.00 H new ATOM 0 HE3 LYS A 93 11.966 13.836 -19.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 9.919 14.564 -20.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 11.072 15.810 -20.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 10.735 14.906 -21.968 1.00 0.00 H new ATOM 1361 N TYR A 94 17.418 16.936 -22.207 1.00 0.00 N ATOM 1362 CA TYR A 94 18.742 17.475 -22.491 1.00 0.00 C ATOM 1363 C TYR A 94 19.135 18.542 -21.475 1.00 0.00 C ATOM 1364 O TYR A 94 18.295 19.049 -20.731 1.00 0.00 O ATOM 1365 CB TYR A 94 18.774 18.071 -23.898 1.00 0.00 C ATOM 1366 CG TYR A 94 18.162 19.452 -23.978 1.00 0.00 C ATOM 1367 CD1 TYR A 94 18.816 20.554 -23.440 1.00 0.00 C ATOM 1368 CD2 TYR A 94 16.930 19.654 -24.586 1.00 0.00 C ATOM 1369 CE1 TYR A 94 18.259 21.817 -23.506 1.00 0.00 C ATOM 1370 CE2 TYR A 94 16.367 20.914 -24.657 1.00 0.00 C ATOM 1371 CZ TYR A 94 17.035 21.991 -24.115 1.00 0.00 C ATOM 1372 OH TYR A 94 16.477 23.248 -24.182 1.00 0.00 O ATOM 0 H TYR A 94 16.715 17.640 -21.981 1.00 0.00 H new ATOM 0 HA TYR A 94 19.458 16.656 -22.423 1.00 0.00 H new ATOM 0 HB2 TYR A 94 19.807 18.119 -24.241 1.00 0.00 H new ATOM 0 HB3 TYR A 94 18.243 17.406 -24.579 1.00 0.00 H new ATOM 0 HD1 TYR A 94 19.775 20.421 -22.962 1.00 0.00 H new ATOM 0 HD2 TYR A 94 16.403 18.812 -25.010 1.00 0.00 H new ATOM 0 HE1 TYR A 94 18.780 22.663 -23.083 1.00 0.00 H new ATOM 0 HE2 TYR A 94 15.409 21.054 -25.135 1.00 0.00 H new ATOM 0 HH TYR A 94 15.614 23.199 -24.643 1.00 0.00 H new ATOM 1382 N SER A 95 20.418 18.883 -21.462 1.00 0.00 N ATOM 1383 CA SER A 95 20.935 19.897 -20.552 1.00 0.00 C ATOM 1384 C SER A 95 21.854 20.860 -21.297 1.00 0.00 C ATOM 1385 O SER A 95 22.307 20.565 -22.401 1.00 0.00 O ATOM 1386 CB SER A 95 21.691 19.240 -19.395 1.00 0.00 C ATOM 1387 OG SER A 95 22.113 17.932 -19.738 1.00 0.00 O ATOM 0 H SER A 95 21.122 18.470 -22.074 1.00 0.00 H new ATOM 0 HA SER A 95 20.093 20.458 -20.147 1.00 0.00 H new ATOM 0 HB2 SER A 95 22.557 19.847 -19.131 1.00 0.00 H new ATOM 0 HB3 SER A 95 21.050 19.199 -18.514 1.00 0.00 H new ATOM 0 HG SER A 95 22.854 17.984 -20.378 1.00 0.00 H new ATOM 1393 N PHE A 96 22.120 22.013 -20.692 1.00 0.00 N ATOM 1394 CA PHE A 96 22.983 23.016 -21.308 1.00 0.00 C ATOM 1395 C PHE A 96 24.428 22.846 -20.853 1.00 0.00 C ATOM 1396 O PHE A 96 24.743 21.941 -20.081 1.00 0.00 O ATOM 1397 CB PHE A 96 22.488 24.422 -20.964 1.00 0.00 C ATOM 1398 CG PHE A 96 21.337 24.875 -21.815 1.00 0.00 C ATOM 1399 CD1 PHE A 96 21.401 24.786 -23.197 1.00 0.00 C ATOM 1400 CD2 PHE A 96 20.189 25.389 -21.233 1.00 0.00 C ATOM 1401 CE1 PHE A 96 20.343 25.202 -23.982 1.00 0.00 C ATOM 1402 CE2 PHE A 96 19.127 25.806 -22.013 1.00 0.00 C ATOM 1403 CZ PHE A 96 19.204 25.712 -23.389 1.00 0.00 C ATOM 0 H PHE A 96 21.752 22.276 -19.778 1.00 0.00 H new ATOM 0 HA PHE A 96 22.945 22.878 -22.389 1.00 0.00 H new ATOM 0 HB2 PHE A 96 22.187 24.447 -19.917 1.00 0.00 H new ATOM 0 HB3 PHE A 96 23.312 25.127 -21.076 1.00 0.00 H new ATOM 0 HD1 PHE A 96 22.288 24.387 -23.665 1.00 0.00 H new ATOM 0 HD2 PHE A 96 20.124 25.465 -20.158 1.00 0.00 H new ATOM 0 HE1 PHE A 96 20.406 25.129 -25.058 1.00 0.00 H new ATOM 0 HE2 PHE A 96 18.238 26.205 -21.547 1.00 0.00 H new ATOM 0 HZ PHE A 96 18.375 26.037 -24.000 1.00 0.00 H new ATOM 1413 N CYS A 97 25.303 23.721 -21.338 1.00 0.00 N ATOM 1414 CA CYS A 97 26.716 23.668 -20.979 1.00 0.00 C ATOM 1415 C CYS A 97 27.359 25.045 -21.108 1.00 0.00 C ATOM 1416 O CYS A 97 26.981 25.838 -21.970 1.00 0.00 O ATOM 1417 CB CYS A 97 27.455 22.665 -21.867 1.00 0.00 C ATOM 1418 SG CYS A 97 26.590 21.074 -22.078 1.00 0.00 S ATOM 0 H CYS A 97 25.059 24.475 -21.980 1.00 0.00 H new ATOM 0 HA CYS A 97 26.789 23.345 -19.941 1.00 0.00 H new ATOM 0 HB2 CYS A 97 27.613 23.113 -22.848 1.00 0.00 H new ATOM 0 HB3 CYS A 97 28.440 22.476 -21.441 1.00 0.00 H new ATOM 1423 N THR A 98 28.334 25.322 -20.248 1.00 0.00 N ATOM 1424 CA THR A 98 29.030 26.605 -20.272 1.00 0.00 C ATOM 1425 C THR A 98 30.307 26.520 -21.097 1.00 0.00 C ATOM 1426 O THR A 98 30.375 27.042 -22.210 1.00 0.00 O ATOM 1427 CB THR A 98 29.382 27.101 -18.854 1.00 0.00 C ATOM 1428 OG1 THR A 98 30.668 27.732 -18.860 1.00 0.00 O ATOM 1429 CG2 THR A 98 29.383 25.955 -17.854 1.00 0.00 C ATOM 0 H THR A 98 28.660 24.678 -19.528 1.00 0.00 H new ATOM 0 HA THR A 98 28.344 27.318 -20.730 1.00 0.00 H new ATOM 0 HB THR A 98 28.621 27.821 -18.552 1.00 0.00 H new ATOM 0 HG1 THR A 98 30.883 28.045 -17.957 1.00 0.00 H new ATOM 0 HG21 THR A 98 29.634 26.336 -16.864 1.00 0.00 H new ATOM 0 HG22 THR A 98 28.395 25.496 -17.826 1.00 0.00 H new ATOM 0 HG23 THR A 98 30.120 25.211 -18.154 1.00 0.00 H new