USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 472 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 22 THR OG1 : rot 180:sc= -0.0199 USER MOD Set 1.2: A 25 LYS NZ :NH3+ -157:sc= 0.0206 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -145:sc= 0.431 (180deg=-1.99!) USER MOD Single : A 9 ASN : amide:sc= -1 X(o=-1,f=-1.3) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0.038) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 33:sc= 1.33 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot -110:sc= 0.112 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl -146:sc= -0.19 (180deg=-1.1) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= 0.707 K(o=0.71,f=-0.047) USER MOD Single : A 52 THR OG1 : rot 87:sc= 0.971 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS :FLIP no HD1:sc= -2.19! C(o=-3.3!,f=-2.2!) USER MOD Single : A 60 HIS : no HD1:sc= -0.135 X(o=-0.13,f=-0.0016) USER MOD Single : A 61 HIS : no HD1:sc= -0.0117 X(o=-0.012,f=0) USER MOD Single : A 62 HIS : no HD1:sc= -1.18! C(o=-1.2!,f=-1.3!) USER MOD Single : A 63 HIS : no HD1:sc= -1.38 K(o=-1.4,f=-2.5!) USER MOD Single : A 64 HIS : no HD1:sc= -0.0549 X(o=-0.055,f=-0.055) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 52.149 -2.731 -54.025 1.00 1.00 N ATOM 2 CA MET A 1 51.322 -3.790 -53.381 1.00 1.00 C ATOM 3 C MET A 1 51.701 -3.902 -51.908 1.00 1.00 C ATOM 4 O MET A 1 51.981 -4.992 -51.410 1.00 1.00 O ATOM 5 CB MET A 1 51.568 -5.125 -54.086 1.00 1.00 C ATOM 6 CG MET A 1 51.729 -4.887 -55.589 1.00 1.00 C ATOM 7 SD MET A 1 53.421 -4.345 -55.935 1.00 1.00 S ATOM 8 CE MET A 1 53.218 -4.091 -57.715 1.00 1.00 C ATOM 0 H1 MET A 1 51.583 -2.239 -54.746 1.00 1.00 H new ATOM 0 H2 MET A 1 52.462 -2.049 -53.305 1.00 1.00 H new ATOM 0 H3 MET A 1 52.980 -3.165 -54.475 1.00 1.00 H new ATOM 0 HA MET A 1 50.266 -3.532 -53.461 1.00 1.00 H new ATOM 0 HB2 MET A 1 52.463 -5.601 -53.685 1.00 1.00 H new ATOM 0 HB3 MET A 1 50.736 -5.804 -53.902 1.00 1.00 H new ATOM 0 HG2 MET A 1 51.509 -5.802 -56.139 1.00 1.00 H new ATOM 0 HG3 MET A 1 51.018 -4.133 -55.927 1.00 1.00 H new ATOM 0 HE1 MET A 1 54.160 -3.748 -58.143 1.00 1.00 H new ATOM 0 HE2 MET A 1 52.926 -5.030 -58.186 1.00 1.00 H new ATOM 0 HE3 MET A 1 52.446 -3.342 -57.890 1.00 1.00 H new ATOM 20 N GLU A 2 51.710 -2.766 -51.216 1.00 1.00 N ATOM 21 CA GLU A 2 52.058 -2.749 -49.800 1.00 1.00 C ATOM 22 C GLU A 2 50.799 -2.795 -48.940 1.00 1.00 C ATOM 23 O GLU A 2 50.211 -1.760 -48.627 1.00 1.00 O ATOM 24 CB GLU A 2 52.856 -1.485 -49.474 1.00 1.00 C ATOM 25 CG GLU A 2 54.348 -1.820 -49.433 1.00 1.00 C ATOM 26 CD GLU A 2 55.162 -0.547 -49.222 1.00 1.00 C ATOM 27 OE1 GLU A 2 54.814 0.215 -48.336 1.00 1.00 O ATOM 28 OE2 GLU A 2 56.121 -0.354 -49.951 1.00 1.00 O ATOM 0 H GLU A 2 51.482 -1.853 -51.609 1.00 1.00 H new ATOM 0 HA GLU A 2 52.666 -3.627 -49.583 1.00 1.00 H new ATOM 0 HB2 GLU A 2 52.665 -0.718 -50.225 1.00 1.00 H new ATOM 0 HB3 GLU A 2 52.537 -1.078 -48.514 1.00 1.00 H new ATOM 0 HG2 GLU A 2 54.548 -2.527 -48.628 1.00 1.00 H new ATOM 0 HG3 GLU A 2 54.647 -2.303 -50.364 1.00 1.00 H new ATOM 35 N GLU A 3 50.392 -4.001 -48.560 1.00 1.00 N ATOM 36 CA GLU A 3 49.201 -4.170 -47.734 1.00 1.00 C ATOM 37 C GLU A 3 49.332 -3.378 -46.437 1.00 1.00 C ATOM 38 O GLU A 3 50.438 -3.139 -45.953 1.00 1.00 O ATOM 39 CB GLU A 3 48.996 -5.652 -47.411 1.00 1.00 C ATOM 40 CG GLU A 3 48.196 -6.314 -48.534 1.00 1.00 C ATOM 41 CD GLU A 3 48.507 -7.805 -48.587 1.00 1.00 C ATOM 42 OE1 GLU A 3 49.557 -8.154 -49.101 1.00 1.00 O ATOM 43 OE2 GLU A 3 47.689 -8.577 -48.112 1.00 1.00 O ATOM 0 H GLU A 3 50.865 -4.870 -48.808 1.00 1.00 H new ATOM 0 HA GLU A 3 48.340 -3.797 -48.289 1.00 1.00 H new ATOM 0 HB2 GLU A 3 49.960 -6.147 -47.297 1.00 1.00 H new ATOM 0 HB3 GLU A 3 48.469 -5.759 -46.463 1.00 1.00 H new ATOM 0 HG2 GLU A 3 47.129 -6.162 -48.370 1.00 1.00 H new ATOM 0 HG3 GLU A 3 48.441 -5.849 -49.489 1.00 1.00 H new ATOM 50 N GLY A 4 48.195 -2.972 -45.881 1.00 1.00 N ATOM 51 CA GLY A 4 48.194 -2.207 -44.639 1.00 1.00 C ATOM 52 C GLY A 4 47.843 -3.096 -43.451 1.00 1.00 C ATOM 53 O GLY A 4 47.582 -2.606 -42.353 1.00 1.00 O ATOM 0 H GLY A 4 47.269 -3.158 -46.267 1.00 1.00 H new ATOM 0 HA2 GLY A 4 49.175 -1.757 -44.484 1.00 1.00 H new ATOM 0 HA3 GLY A 4 47.476 -1.390 -44.711 1.00 1.00 H new ATOM 57 N GLY A 5 47.840 -4.405 -43.679 1.00 1.00 N ATOM 58 CA GLY A 5 47.520 -5.354 -42.619 1.00 1.00 C ATOM 59 C GLY A 5 48.756 -5.678 -41.787 1.00 1.00 C ATOM 60 O GLY A 5 48.954 -5.119 -40.707 1.00 1.00 O ATOM 0 H GLY A 5 48.054 -4.831 -44.581 1.00 1.00 H new ATOM 0 HA2 GLY A 5 46.743 -4.940 -41.977 1.00 1.00 H new ATOM 0 HA3 GLY A 5 47.119 -6.270 -43.054 1.00 1.00 H new ATOM 64 N ASP A 6 49.584 -6.584 -42.294 1.00 1.00 N ATOM 65 CA ASP A 6 50.798 -6.977 -41.589 1.00 1.00 C ATOM 66 C ASP A 6 51.752 -5.793 -41.461 1.00 1.00 C ATOM 67 O ASP A 6 52.857 -5.929 -40.935 1.00 1.00 O ATOM 68 CB ASP A 6 51.492 -8.116 -42.338 1.00 1.00 C ATOM 69 CG ASP A 6 52.303 -8.963 -41.363 1.00 1.00 C ATOM 70 OD1 ASP A 6 52.559 -8.489 -40.269 1.00 1.00 O ATOM 71 OD2 ASP A 6 52.655 -10.073 -41.725 1.00 1.00 O ATOM 0 H ASP A 6 49.438 -7.058 -43.185 1.00 1.00 H new ATOM 0 HA ASP A 6 50.522 -7.315 -40.590 1.00 1.00 H new ATOM 0 HB2 ASP A 6 50.750 -8.736 -42.842 1.00 1.00 H new ATOM 0 HB3 ASP A 6 52.145 -7.710 -43.110 1.00 1.00 H new ATOM 76 N PHE A 7 51.317 -4.635 -41.945 1.00 1.00 N ATOM 77 CA PHE A 7 52.140 -3.434 -41.880 1.00 1.00 C ATOM 78 C PHE A 7 51.671 -2.522 -40.751 1.00 1.00 C ATOM 79 O PHE A 7 52.457 -1.759 -40.189 1.00 1.00 O ATOM 80 CB PHE A 7 52.068 -2.681 -43.210 1.00 1.00 C ATOM 81 CG PHE A 7 52.249 -1.202 -42.963 1.00 1.00 C ATOM 82 CD1 PHE A 7 51.145 -0.407 -42.635 1.00 1.00 C ATOM 83 CD2 PHE A 7 53.521 -0.628 -43.063 1.00 1.00 C ATOM 84 CE1 PHE A 7 51.313 0.964 -42.407 1.00 1.00 C ATOM 85 CE2 PHE A 7 53.689 0.743 -42.834 1.00 1.00 C ATOM 86 CZ PHE A 7 52.584 1.539 -42.507 1.00 1.00 C ATOM 0 H PHE A 7 50.406 -4.503 -42.384 1.00 1.00 H new ATOM 0 HA PHE A 7 53.170 -3.732 -41.685 1.00 1.00 H new ATOM 0 HB2 PHE A 7 52.840 -3.044 -43.888 1.00 1.00 H new ATOM 0 HB3 PHE A 7 51.108 -2.865 -43.693 1.00 1.00 H new ATOM 0 HD1 PHE A 7 50.164 -0.851 -42.558 1.00 1.00 H new ATOM 0 HD2 PHE A 7 54.373 -1.242 -43.317 1.00 1.00 H new ATOM 0 HE1 PHE A 7 50.461 1.578 -42.154 1.00 1.00 H new ATOM 0 HE2 PHE A 7 54.671 1.187 -42.910 1.00 1.00 H new ATOM 0 HZ PHE A 7 52.713 2.597 -42.332 1.00 1.00 H new ATOM 96 N ASP A 8 50.386 -2.608 -40.423 1.00 1.00 N ATOM 97 CA ASP A 8 49.823 -1.786 -39.358 1.00 1.00 C ATOM 98 C ASP A 8 50.686 -1.869 -38.104 1.00 1.00 C ATOM 99 O ASP A 8 51.112 -2.953 -37.703 1.00 1.00 O ATOM 100 CB ASP A 8 48.402 -2.251 -39.035 1.00 1.00 C ATOM 101 CG ASP A 8 47.799 -1.369 -37.948 1.00 1.00 C ATOM 102 OD1 ASP A 8 47.573 -0.201 -38.218 1.00 1.00 O ATOM 103 OD2 ASP A 8 47.573 -1.874 -36.860 1.00 1.00 O ATOM 0 H ASP A 8 49.719 -3.234 -40.875 1.00 1.00 H new ATOM 0 HA ASP A 8 49.797 -0.751 -39.699 1.00 1.00 H new ATOM 0 HB2 ASP A 8 47.784 -2.210 -39.932 1.00 1.00 H new ATOM 0 HB3 ASP A 8 48.417 -3.290 -38.705 1.00 1.00 H new ATOM 108 N ASN A 9 50.939 -0.720 -37.487 1.00 1.00 N ATOM 109 CA ASN A 9 51.752 -0.675 -36.278 1.00 1.00 C ATOM 110 C ASN A 9 50.867 -0.686 -35.036 1.00 1.00 C ATOM 111 O ASN A 9 51.301 -0.305 -33.949 1.00 1.00 O ATOM 112 CB ASN A 9 52.620 0.585 -36.277 1.00 1.00 C ATOM 113 CG ASN A 9 51.736 1.826 -36.202 1.00 1.00 C ATOM 114 OD1 ASN A 9 51.136 2.224 -37.201 1.00 1.00 O ATOM 115 ND2 ASN A 9 51.620 2.465 -35.070 1.00 1.00 N ATOM 0 H ASN A 9 50.595 0.187 -37.802 1.00 1.00 H new ATOM 0 HA ASN A 9 52.393 -1.557 -36.262 1.00 1.00 H new ATOM 0 HB2 ASN A 9 53.305 0.564 -35.429 1.00 1.00 H new ATOM 0 HB3 ASN A 9 53.230 0.617 -37.179 1.00 1.00 H new ATOM 0 HD21 ASN A 9 51.031 3.296 -35.011 1.00 1.00 H new ATOM 0 HD22 ASN A 9 52.118 2.133 -34.244 1.00 1.00 H new ATOM 122 N TYR A 10 49.625 -1.127 -35.206 1.00 1.00 N ATOM 123 CA TYR A 10 48.682 -1.186 -34.092 1.00 1.00 C ATOM 124 C TYR A 10 48.257 0.218 -33.673 1.00 1.00 C ATOM 125 O TYR A 10 47.089 0.456 -33.363 1.00 1.00 O ATOM 126 CB TYR A 10 49.320 -1.904 -32.902 1.00 1.00 C ATOM 127 CG TYR A 10 50.259 -2.977 -33.404 1.00 1.00 C ATOM 128 CD1 TYR A 10 49.758 -4.050 -34.150 1.00 1.00 C ATOM 129 CD2 TYR A 10 51.630 -2.898 -33.124 1.00 1.00 C ATOM 130 CE1 TYR A 10 50.626 -5.045 -34.615 1.00 1.00 C ATOM 131 CE2 TYR A 10 52.497 -3.893 -33.590 1.00 1.00 C ATOM 132 CZ TYR A 10 51.995 -4.966 -34.336 1.00 1.00 C ATOM 133 OH TYR A 10 52.851 -5.946 -34.795 1.00 1.00 O ATOM 0 H TYR A 10 49.248 -1.447 -36.098 1.00 1.00 H new ATOM 0 HA TYR A 10 47.801 -1.738 -34.418 1.00 1.00 H new ATOM 0 HB2 TYR A 10 49.864 -1.191 -32.283 1.00 1.00 H new ATOM 0 HB3 TYR A 10 48.547 -2.347 -32.274 1.00 1.00 H new ATOM 0 HD1 TYR A 10 48.702 -4.110 -34.367 1.00 1.00 H new ATOM 0 HD2 TYR A 10 52.017 -2.070 -32.549 1.00 1.00 H new ATOM 0 HE1 TYR A 10 50.239 -5.874 -35.189 1.00 1.00 H new ATOM 0 HE2 TYR A 10 53.553 -3.833 -33.374 1.00 1.00 H new ATOM 0 HH TYR A 10 53.767 -5.738 -34.514 1.00 1.00 H new ATOM 143 N TYR A 11 49.210 1.144 -33.665 1.00 1.00 N ATOM 144 CA TYR A 11 48.920 2.521 -33.281 1.00 1.00 C ATOM 145 C TYR A 11 48.606 2.605 -31.790 1.00 1.00 C ATOM 146 O TYR A 11 49.104 1.809 -30.996 1.00 1.00 O ATOM 147 CB TYR A 11 47.731 3.048 -34.086 1.00 1.00 C ATOM 148 CG TYR A 11 47.914 4.525 -34.347 1.00 1.00 C ATOM 149 CD1 TYR A 11 48.953 4.962 -35.177 1.00 1.00 C ATOM 150 CD2 TYR A 11 47.048 5.455 -33.761 1.00 1.00 C ATOM 151 CE1 TYR A 11 49.125 6.331 -35.421 1.00 1.00 C ATOM 152 CE2 TYR A 11 47.220 6.823 -34.004 1.00 1.00 C ATOM 153 CZ TYR A 11 48.258 7.260 -34.835 1.00 1.00 C ATOM 154 OH TYR A 11 48.428 8.609 -35.075 1.00 1.00 O ATOM 0 H TYR A 11 50.182 0.968 -33.918 1.00 1.00 H new ATOM 0 HA TYR A 11 49.799 3.131 -33.491 1.00 1.00 H new ATOM 0 HB2 TYR A 11 47.649 2.509 -35.030 1.00 1.00 H new ATOM 0 HB3 TYR A 11 46.804 2.877 -33.540 1.00 1.00 H new ATOM 0 HD1 TYR A 11 49.622 4.244 -35.629 1.00 1.00 H new ATOM 0 HD2 TYR A 11 46.246 5.117 -33.121 1.00 1.00 H new ATOM 0 HE1 TYR A 11 49.926 6.669 -36.061 1.00 1.00 H new ATOM 0 HE2 TYR A 11 46.552 7.541 -33.551 1.00 1.00 H new ATOM 0 HH TYR A 11 47.741 9.116 -34.594 1.00 1.00 H new ATOM 164 N GLY A 12 47.777 3.575 -31.419 1.00 1.00 N ATOM 165 CA GLY A 12 47.404 3.754 -30.020 1.00 1.00 C ATOM 166 C GLY A 12 47.149 2.408 -29.350 1.00 1.00 C ATOM 167 O GLY A 12 47.685 2.126 -28.279 1.00 1.00 O ATOM 0 H GLY A 12 47.353 4.245 -32.061 1.00 1.00 H new ATOM 0 HA2 GLY A 12 48.198 4.283 -29.492 1.00 1.00 H new ATOM 0 HA3 GLY A 12 46.509 4.373 -29.954 1.00 1.00 H new ATOM 171 N ALA A 13 46.327 1.582 -29.989 1.00 1.00 N ATOM 172 CA ALA A 13 46.006 0.267 -29.445 1.00 1.00 C ATOM 173 C ALA A 13 45.099 0.397 -28.226 1.00 1.00 C ATOM 174 O ALA A 13 44.145 -0.364 -28.067 1.00 1.00 O ATOM 175 CB ALA A 13 47.292 -0.462 -29.052 1.00 1.00 C ATOM 0 H ALA A 13 45.874 1.797 -30.877 1.00 1.00 H new ATOM 0 HA ALA A 13 45.483 -0.305 -30.212 1.00 1.00 H new ATOM 0 HB1 ALA A 13 47.045 -1.443 -28.647 1.00 1.00 H new ATOM 0 HB2 ALA A 13 47.925 -0.582 -29.931 1.00 1.00 H new ATOM 0 HB3 ALA A 13 47.824 0.119 -28.298 1.00 1.00 H new ATOM 181 N ASP A 14 45.404 1.365 -27.368 1.00 1.00 N ATOM 182 CA ASP A 14 44.608 1.586 -26.166 1.00 1.00 C ATOM 183 C ASP A 14 43.151 1.859 -26.530 1.00 1.00 C ATOM 184 O ASP A 14 42.251 1.658 -25.716 1.00 1.00 O ATOM 185 CB ASP A 14 45.169 2.770 -25.377 1.00 1.00 C ATOM 186 CG ASP A 14 46.681 2.634 -25.236 1.00 1.00 C ATOM 187 OD1 ASP A 14 47.172 1.524 -25.376 1.00 1.00 O ATOM 188 OD2 ASP A 14 47.327 3.639 -24.991 1.00 1.00 O ATOM 0 H ASP A 14 46.190 2.005 -27.481 1.00 1.00 H new ATOM 0 HA ASP A 14 44.655 0.686 -25.552 1.00 1.00 H new ATOM 0 HB2 ASP A 14 44.925 3.704 -25.884 1.00 1.00 H new ATOM 0 HB3 ASP A 14 44.706 2.813 -24.391 1.00 1.00 H new ATOM 193 N ASN A 15 42.930 2.316 -27.758 1.00 1.00 N ATOM 194 CA ASN A 15 41.579 2.614 -28.219 1.00 1.00 C ATOM 195 C ASN A 15 40.619 1.495 -27.824 1.00 1.00 C ATOM 196 O ASN A 15 39.465 1.747 -27.479 1.00 1.00 O ATOM 197 CB ASN A 15 41.571 2.783 -29.740 1.00 1.00 C ATOM 198 CG ASN A 15 40.674 3.952 -30.129 1.00 1.00 C ATOM 199 OD1 ASN A 15 39.508 4.000 -29.738 1.00 1.00 O ATOM 200 ND2 ASN A 15 41.150 4.906 -30.882 1.00 1.00 N ATOM 0 H ASN A 15 43.662 2.487 -28.447 1.00 1.00 H new ATOM 0 HA ASN A 15 41.251 3.541 -27.749 1.00 1.00 H new ATOM 0 HB2 ASN A 15 42.585 2.956 -30.100 1.00 1.00 H new ATOM 0 HB3 ASN A 15 41.216 1.868 -30.214 1.00 1.00 H new ATOM 0 HD21 ASN A 15 40.556 5.692 -31.147 1.00 1.00 H new ATOM 0 HD22 ASN A 15 42.116 4.866 -31.206 1.00 1.00 H new ATOM 207 N GLN A 16 41.105 0.259 -27.880 1.00 1.00 N ATOM 208 CA GLN A 16 40.282 -0.891 -27.527 1.00 1.00 C ATOM 209 C GLN A 16 40.619 -1.381 -26.122 1.00 1.00 C ATOM 210 O GLN A 16 40.733 -2.584 -25.885 1.00 1.00 O ATOM 211 CB GLN A 16 40.506 -2.023 -28.532 1.00 1.00 C ATOM 212 CG GLN A 16 40.853 -1.430 -29.899 1.00 1.00 C ATOM 213 CD GLN A 16 40.831 -2.524 -30.962 1.00 1.00 C ATOM 214 OE1 GLN A 16 41.719 -3.376 -30.995 1.00 1.00 O ATOM 215 NE2 GLN A 16 39.864 -2.550 -31.837 1.00 1.00 N ATOM 0 H GLN A 16 42.057 0.030 -28.164 1.00 1.00 H new ATOM 0 HA GLN A 16 39.236 -0.586 -27.552 1.00 1.00 H new ATOM 0 HB2 GLN A 16 41.312 -2.673 -28.190 1.00 1.00 H new ATOM 0 HB3 GLN A 16 39.610 -2.639 -28.608 1.00 1.00 H new ATOM 0 HG2 GLN A 16 40.140 -0.647 -30.157 1.00 1.00 H new ATOM 0 HG3 GLN A 16 41.838 -0.965 -29.864 1.00 1.00 H new ATOM 0 HE21 GLN A 16 39.130 -1.843 -31.807 1.00 1.00 H new ATOM 0 HE22 GLN A 16 39.842 -3.278 -32.551 1.00 1.00 H new ATOM 224 N SER A 17 40.777 -0.442 -25.196 1.00 1.00 N ATOM 225 CA SER A 17 41.103 -0.790 -23.817 1.00 1.00 C ATOM 226 C SER A 17 40.308 0.075 -22.844 1.00 1.00 C ATOM 227 O SER A 17 39.389 0.791 -23.244 1.00 1.00 O ATOM 228 CB SER A 17 42.598 -0.598 -23.568 1.00 1.00 C ATOM 229 OG SER A 17 43.333 -1.293 -24.566 1.00 1.00 O ATOM 0 H SER A 17 40.686 0.559 -25.372 1.00 1.00 H new ATOM 0 HA SER A 17 40.840 -1.835 -23.655 1.00 1.00 H new ATOM 0 HB2 SER A 17 42.848 0.463 -23.588 1.00 1.00 H new ATOM 0 HB3 SER A 17 42.864 -0.970 -22.579 1.00 1.00 H new ATOM 0 HG SER A 17 44.293 -1.171 -24.410 1.00 1.00 H new ATOM 235 N GLU A 18 40.667 0.003 -21.567 1.00 1.00 N ATOM 236 CA GLU A 18 39.979 0.785 -20.545 1.00 1.00 C ATOM 237 C GLU A 18 39.944 2.259 -20.934 1.00 1.00 C ATOM 238 O GLU A 18 40.805 3.039 -20.525 1.00 1.00 O ATOM 239 CB GLU A 18 40.689 0.625 -19.200 1.00 1.00 C ATOM 240 CG GLU A 18 40.645 -0.843 -18.771 1.00 1.00 C ATOM 241 CD GLU A 18 41.940 -1.217 -18.057 1.00 1.00 C ATOM 242 OE1 GLU A 18 42.004 -1.035 -16.852 1.00 1.00 O ATOM 243 OE2 GLU A 18 42.849 -1.681 -18.726 1.00 1.00 O ATOM 0 H GLU A 18 41.424 -0.584 -21.216 1.00 1.00 H new ATOM 0 HA GLU A 18 38.956 0.419 -20.460 1.00 1.00 H new ATOM 0 HB2 GLU A 18 41.723 0.961 -19.280 1.00 1.00 H new ATOM 0 HB3 GLU A 18 40.209 1.250 -18.447 1.00 1.00 H new ATOM 0 HG2 GLU A 18 39.794 -1.012 -18.111 1.00 1.00 H new ATOM 0 HG3 GLU A 18 40.504 -1.481 -19.643 1.00 1.00 H new ATOM 250 N CYS A 19 38.944 2.634 -21.724 1.00 1.00 N ATOM 251 CA CYS A 19 38.806 4.017 -22.163 1.00 1.00 C ATOM 252 C CYS A 19 38.058 4.839 -21.119 1.00 1.00 C ATOM 253 O CYS A 19 36.837 4.982 -21.185 1.00 1.00 O ATOM 254 CB CYS A 19 38.053 4.068 -23.493 1.00 1.00 C ATOM 255 SG CYS A 19 36.689 2.878 -23.460 1.00 1.00 S ATOM 0 H CYS A 19 38.221 2.004 -22.072 1.00 1.00 H new ATOM 0 HA CYS A 19 39.802 4.439 -22.293 1.00 1.00 H new ATOM 0 HB2 CYS A 19 37.669 5.073 -23.667 1.00 1.00 H new ATOM 0 HB3 CYS A 19 38.730 3.838 -24.316 1.00 1.00 H new ATOM 0 HG CYS A 19 36.221 2.788 -22.250 1.00 1.00 H new ATOM 261 N GLU A 20 38.802 5.375 -20.156 1.00 1.00 N ATOM 262 CA GLU A 20 38.207 6.186 -19.098 1.00 1.00 C ATOM 263 C GLU A 20 37.342 5.325 -18.181 1.00 1.00 C ATOM 264 O GLU A 20 36.431 5.827 -17.523 1.00 1.00 O ATOM 265 CB GLU A 20 37.355 7.304 -19.704 1.00 1.00 C ATOM 266 CG GLU A 20 38.022 7.824 -20.978 1.00 1.00 C ATOM 267 CD GLU A 20 37.767 9.321 -21.124 1.00 1.00 C ATOM 268 OE1 GLU A 20 36.634 9.684 -21.397 1.00 1.00 O ATOM 269 OE2 GLU A 20 38.706 10.082 -20.962 1.00 1.00 O ATOM 0 H GLU A 20 39.813 5.263 -20.086 1.00 1.00 H new ATOM 0 HA GLU A 20 39.014 6.625 -18.512 1.00 1.00 H new ATOM 0 HB2 GLU A 20 36.356 6.932 -19.931 1.00 1.00 H new ATOM 0 HB3 GLU A 20 37.237 8.115 -18.986 1.00 1.00 H new ATOM 0 HG2 GLU A 20 39.094 7.631 -20.942 1.00 1.00 H new ATOM 0 HG3 GLU A 20 37.631 7.293 -21.846 1.00 1.00 H new ATOM 276 N TYR A 21 37.635 4.030 -18.141 1.00 1.00 N ATOM 277 CA TYR A 21 36.877 3.112 -17.298 1.00 1.00 C ATOM 278 C TYR A 21 37.559 2.939 -15.945 1.00 1.00 C ATOM 279 O TYR A 21 37.060 2.227 -15.074 1.00 1.00 O ATOM 280 CB TYR A 21 36.750 1.752 -17.987 1.00 1.00 C ATOM 281 CG TYR A 21 35.521 1.747 -18.863 1.00 1.00 C ATOM 282 CD1 TYR A 21 35.571 2.313 -20.143 1.00 1.00 C ATOM 283 CD2 TYR A 21 34.330 1.176 -18.396 1.00 1.00 C ATOM 284 CE1 TYR A 21 34.432 2.309 -20.955 1.00 1.00 C ATOM 285 CE2 TYR A 21 33.190 1.173 -19.209 1.00 1.00 C ATOM 286 CZ TYR A 21 33.241 1.740 -20.489 1.00 1.00 C ATOM 287 OH TYR A 21 32.118 1.736 -21.290 1.00 1.00 O ATOM 0 H TYR A 21 38.385 3.595 -18.677 1.00 1.00 H new ATOM 0 HA TYR A 21 35.883 3.531 -17.139 1.00 1.00 H new ATOM 0 HB2 TYR A 21 37.638 1.551 -18.586 1.00 1.00 H new ATOM 0 HB3 TYR A 21 36.682 0.959 -17.242 1.00 1.00 H new ATOM 0 HD1 TYR A 21 36.489 2.753 -20.503 1.00 1.00 H new ATOM 0 HD2 TYR A 21 34.291 0.738 -17.409 1.00 1.00 H new ATOM 0 HE1 TYR A 21 34.472 2.745 -21.942 1.00 1.00 H new ATOM 0 HE2 TYR A 21 32.271 0.734 -18.849 1.00 1.00 H new ATOM 0 HH TYR A 21 31.379 1.302 -20.815 1.00 1.00 H new ATOM 297 N THR A 22 38.702 3.596 -15.776 1.00 1.00 N ATOM 298 CA THR A 22 39.444 3.507 -14.523 1.00 1.00 C ATOM 299 C THR A 22 40.615 4.485 -14.524 1.00 1.00 C ATOM 300 O THR A 22 40.881 5.149 -13.522 1.00 1.00 O ATOM 301 CB THR A 22 39.966 2.082 -14.324 1.00 1.00 C ATOM 302 OG1 THR A 22 40.635 1.996 -13.074 1.00 1.00 O ATOM 303 CG2 THR A 22 40.939 1.731 -15.451 1.00 1.00 C ATOM 0 H THR A 22 39.132 4.191 -16.484 1.00 1.00 H new ATOM 0 HA THR A 22 38.771 3.764 -13.705 1.00 1.00 H new ATOM 0 HB THR A 22 39.130 1.383 -14.339 1.00 1.00 H new ATOM 0 HG1 THR A 22 40.969 1.084 -12.944 1.00 1.00 H new ATOM 0 HG21 THR A 22 41.310 0.716 -15.308 1.00 1.00 H new ATOM 0 HG22 THR A 22 40.425 1.798 -16.410 1.00 1.00 H new ATOM 0 HG23 THR A 22 41.776 2.429 -15.439 1.00 1.00 H new ATOM 311 N ASP A 23 41.311 4.568 -15.654 1.00 1.00 N ATOM 312 CA ASP A 23 42.452 5.468 -15.772 1.00 1.00 C ATOM 313 C ASP A 23 41.982 6.913 -15.904 1.00 1.00 C ATOM 314 O ASP A 23 42.218 7.562 -16.923 1.00 1.00 O ATOM 315 CB ASP A 23 43.291 5.090 -16.992 1.00 1.00 C ATOM 316 CG ASP A 23 44.642 5.796 -16.936 1.00 1.00 C ATOM 317 OD1 ASP A 23 44.943 6.374 -15.905 1.00 1.00 O ATOM 318 OD2 ASP A 23 45.355 5.750 -17.925 1.00 1.00 O ATOM 0 H ASP A 23 41.107 4.027 -16.494 1.00 1.00 H new ATOM 0 HA ASP A 23 43.059 5.375 -14.871 1.00 1.00 H new ATOM 0 HB2 ASP A 23 43.437 4.010 -17.023 1.00 1.00 H new ATOM 0 HB3 ASP A 23 42.765 5.367 -17.905 1.00 1.00 H new ATOM 323 N TRP A 24 41.318 7.411 -14.866 1.00 1.00 N ATOM 324 CA TRP A 24 40.821 8.782 -14.877 1.00 1.00 C ATOM 325 C TRP A 24 40.507 9.249 -13.459 1.00 1.00 C ATOM 326 O TRP A 24 40.699 10.420 -13.128 1.00 1.00 O ATOM 327 CB TRP A 24 39.559 8.873 -15.736 1.00 1.00 C ATOM 328 CG TRP A 24 38.387 8.367 -14.958 1.00 1.00 C ATOM 329 CD1 TRP A 24 37.829 7.143 -15.102 1.00 1.00 C ATOM 330 CD2 TRP A 24 37.621 9.047 -13.920 1.00 1.00 C ATOM 331 NE1 TRP A 24 36.769 7.028 -14.219 1.00 1.00 N ATOM 332 CE2 TRP A 24 36.602 8.175 -13.470 1.00 1.00 C ATOM 333 CE3 TRP A 24 37.712 10.321 -13.333 1.00 1.00 C ATOM 334 CZ2 TRP A 24 35.703 8.554 -12.471 1.00 1.00 C ATOM 335 CZ3 TRP A 24 36.810 10.706 -12.328 1.00 1.00 C ATOM 336 CH2 TRP A 24 35.808 9.824 -11.898 1.00 1.00 C ATOM 0 H TRP A 24 41.113 6.891 -14.013 1.00 1.00 H new ATOM 0 HA TRP A 24 41.594 9.425 -15.297 1.00 1.00 H new ATOM 0 HB2 TRP A 24 39.388 9.905 -16.041 1.00 1.00 H new ATOM 0 HB3 TRP A 24 39.684 8.288 -16.647 1.00 1.00 H new ATOM 0 HD1 TRP A 24 38.157 6.380 -15.793 1.00 1.00 H new ATOM 0 HE1 TRP A 24 36.183 6.197 -14.133 1.00 1.00 H new ATOM 0 HE3 TRP A 24 38.480 11.008 -13.657 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 34.933 7.871 -12.144 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 36.888 11.687 -11.884 1.00 1.00 H new ATOM 0 HH2 TRP A 24 35.118 10.126 -11.124 1.00 1.00 H new ATOM 347 N LYS A 25 40.024 8.329 -12.629 1.00 1.00 N ATOM 348 CA LYS A 25 39.685 8.657 -11.248 1.00 1.00 C ATOM 349 C LYS A 25 40.721 9.602 -10.649 1.00 1.00 C ATOM 350 O LYS A 25 41.925 9.381 -10.779 1.00 1.00 O ATOM 351 CB LYS A 25 39.612 7.378 -10.411 1.00 1.00 C ATOM 352 CG LYS A 25 40.932 6.613 -10.528 1.00 1.00 C ATOM 353 CD LYS A 25 40.779 5.230 -9.889 1.00 1.00 C ATOM 354 CE LYS A 25 40.332 4.223 -10.949 1.00 1.00 C ATOM 355 NZ LYS A 25 39.732 3.034 -10.283 1.00 1.00 N ATOM 0 H LYS A 25 39.859 7.356 -12.887 1.00 1.00 H new ATOM 0 HA LYS A 25 38.714 9.152 -11.241 1.00 1.00 H new ATOM 0 HB2 LYS A 25 39.414 7.625 -9.368 1.00 1.00 H new ATOM 0 HB3 LYS A 25 38.787 6.754 -10.753 1.00 1.00 H new ATOM 0 HG2 LYS A 25 41.214 6.512 -11.576 1.00 1.00 H new ATOM 0 HG3 LYS A 25 41.731 7.167 -10.035 1.00 1.00 H new ATOM 0 HD2 LYS A 25 41.725 4.915 -9.449 1.00 1.00 H new ATOM 0 HD3 LYS A 25 40.049 5.270 -9.080 1.00 1.00 H new ATOM 0 HE2 LYS A 25 39.606 4.683 -11.619 1.00 1.00 H new ATOM 0 HE3 LYS A 25 41.182 3.920 -11.560 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 39.786 2.215 -10.921 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 40.254 2.826 -9.408 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 38.737 3.230 -10.054 1.00 1.00 H new ATOM 369 N SER A 26 40.244 10.655 -9.995 1.00 1.00 N ATOM 370 CA SER A 26 41.138 11.630 -9.381 1.00 1.00 C ATOM 371 C SER A 26 41.809 11.036 -8.147 1.00 1.00 C ATOM 372 O SER A 26 42.998 10.713 -8.168 1.00 1.00 O ATOM 373 CB SER A 26 40.355 12.881 -8.986 1.00 1.00 C ATOM 374 OG SER A 26 39.013 12.520 -8.686 1.00 1.00 O ATOM 0 H SER A 26 39.251 10.855 -9.877 1.00 1.00 H new ATOM 0 HA SER A 26 41.907 11.898 -10.106 1.00 1.00 H new ATOM 0 HB2 SER A 26 40.818 13.356 -8.121 1.00 1.00 H new ATOM 0 HB3 SER A 26 40.375 13.608 -9.798 1.00 1.00 H new ATOM 0 HG SER A 26 38.418 12.866 -9.383 1.00 1.00 H new ATOM 380 N SER A 27 41.040 10.894 -7.073 1.00 1.00 N ATOM 381 CA SER A 27 41.568 10.338 -5.834 1.00 1.00 C ATOM 382 C SER A 27 42.465 11.351 -5.130 1.00 1.00 C ATOM 383 O SER A 27 42.789 11.195 -3.951 1.00 1.00 O ATOM 384 CB SER A 27 42.366 9.068 -6.131 1.00 1.00 C ATOM 385 OG SER A 27 42.178 8.137 -5.072 1.00 1.00 O ATOM 0 H SER A 27 40.055 11.155 -7.036 1.00 1.00 H new ATOM 0 HA SER A 27 40.730 10.097 -5.180 1.00 1.00 H new ATOM 0 HB2 SER A 27 42.040 8.633 -7.076 1.00 1.00 H new ATOM 0 HB3 SER A 27 43.424 9.306 -6.238 1.00 1.00 H new ATOM 0 HG SER A 27 42.687 7.321 -5.260 1.00 1.00 H new ATOM 391 N GLY A 28 42.864 12.388 -5.857 1.00 1.00 N ATOM 392 CA GLY A 28 43.724 13.421 -5.292 1.00 1.00 C ATOM 393 C GLY A 28 43.346 14.799 -5.824 1.00 1.00 C ATOM 394 O GLY A 28 44.043 15.783 -5.577 1.00 1.00 O ATOM 0 H GLY A 28 42.608 12.536 -6.833 1.00 1.00 H new ATOM 0 HA2 GLY A 28 43.643 13.412 -4.205 1.00 1.00 H new ATOM 0 HA3 GLY A 28 44.764 13.206 -5.536 1.00 1.00 H new ATOM 398 N ALA A 29 42.239 14.862 -6.556 1.00 1.00 N ATOM 399 CA ALA A 29 41.777 16.126 -7.120 1.00 1.00 C ATOM 400 C ALA A 29 40.637 16.699 -6.286 1.00 1.00 C ATOM 401 O ALA A 29 40.755 17.785 -5.718 1.00 1.00 O ATOM 402 CB ALA A 29 41.305 15.915 -8.559 1.00 1.00 C ATOM 0 H ALA A 29 41.648 14.059 -6.772 1.00 1.00 H new ATOM 0 HA ALA A 29 42.608 16.831 -7.112 1.00 1.00 H new ATOM 0 HB1 ALA A 29 40.962 16.864 -8.972 1.00 1.00 H new ATOM 0 HB2 ALA A 29 42.130 15.535 -9.161 1.00 1.00 H new ATOM 0 HB3 ALA A 29 40.486 15.196 -8.571 1.00 1.00 H new ATOM 408 N LEU A 30 39.531 15.963 -6.218 1.00 1.00 N ATOM 409 CA LEU A 30 38.374 16.409 -5.450 1.00 1.00 C ATOM 410 C LEU A 30 38.318 15.696 -4.103 1.00 1.00 C ATOM 411 O LEU A 30 37.415 15.935 -3.301 1.00 1.00 O ATOM 412 CB LEU A 30 37.090 16.130 -6.232 1.00 1.00 C ATOM 413 CG LEU A 30 36.938 14.623 -6.445 1.00 1.00 C ATOM 414 CD1 LEU A 30 35.764 14.106 -5.610 1.00 1.00 C ATOM 415 CD2 LEU A 30 36.671 14.343 -7.926 1.00 1.00 C ATOM 0 H LEU A 30 39.412 15.062 -6.682 1.00 1.00 H new ATOM 0 HA LEU A 30 38.467 17.481 -5.276 1.00 1.00 H new ATOM 0 HB2 LEU A 30 36.229 16.520 -5.689 1.00 1.00 H new ATOM 0 HB3 LEU A 30 37.119 16.643 -7.194 1.00 1.00 H new ATOM 0 HG LEU A 30 37.854 14.118 -6.138 1.00 1.00 H new ATOM 0 HD11 LEU A 30 35.655 13.032 -5.761 1.00 1.00 H new ATOM 0 HD12 LEU A 30 35.951 14.307 -4.555 1.00 1.00 H new ATOM 0 HD13 LEU A 30 34.848 14.611 -5.918 1.00 1.00 H new ATOM 0 HD21 LEU A 30 36.562 13.269 -8.079 1.00 1.00 H new ATOM 0 HD22 LEU A 30 35.755 14.848 -8.232 1.00 1.00 H new ATOM 0 HD23 LEU A 30 37.505 14.712 -8.522 1.00 1.00 H new ATOM 427 N ILE A 31 39.287 14.819 -3.862 1.00 1.00 N ATOM 428 CA ILE A 31 39.337 14.077 -2.608 1.00 1.00 C ATOM 429 C ILE A 31 39.776 14.983 -1.454 1.00 1.00 C ATOM 430 O ILE A 31 39.236 14.888 -0.351 1.00 1.00 O ATOM 431 CB ILE A 31 40.279 12.866 -2.758 1.00 1.00 C ATOM 432 CG1 ILE A 31 39.437 11.593 -2.880 1.00 1.00 C ATOM 433 CG2 ILE A 31 41.214 12.731 -1.546 1.00 1.00 C ATOM 434 CD1 ILE A 31 38.494 11.717 -4.077 1.00 1.00 C ATOM 0 H ILE A 31 40.043 14.606 -4.513 1.00 1.00 H new ATOM 0 HA ILE A 31 38.337 13.712 -2.372 1.00 1.00 H new ATOM 0 HB ILE A 31 40.889 13.014 -3.649 1.00 1.00 H new ATOM 0 HG12 ILE A 31 40.086 10.726 -3.003 1.00 1.00 H new ATOM 0 HG13 ILE A 31 38.863 11.435 -1.967 1.00 1.00 H new ATOM 0 HG21 ILE A 31 41.865 11.868 -1.683 1.00 1.00 H new ATOM 0 HG22 ILE A 31 41.821 13.632 -1.452 1.00 1.00 H new ATOM 0 HG23 ILE A 31 40.620 12.598 -0.642 1.00 1.00 H new ATOM 0 HD11 ILE A 31 37.895 10.811 -4.164 1.00 1.00 H new ATOM 0 HD12 ILE A 31 37.836 12.575 -3.935 1.00 1.00 H new ATOM 0 HD13 ILE A 31 39.078 11.854 -4.987 1.00 1.00 H new ATOM 446 N PRO A 32 40.736 15.850 -1.673 1.00 1.00 N ATOM 447 CA PRO A 32 41.233 16.775 -0.609 1.00 1.00 C ATOM 448 C PRO A 32 40.117 17.647 -0.042 1.00 1.00 C ATOM 449 O PRO A 32 40.273 18.266 1.011 1.00 1.00 O ATOM 450 CB PRO A 32 42.290 17.631 -1.316 1.00 1.00 C ATOM 451 CG PRO A 32 42.676 16.866 -2.537 1.00 1.00 C ATOM 452 CD PRO A 32 41.452 16.052 -2.942 1.00 1.00 C ATOM 0 HA PRO A 32 41.633 16.230 0.246 1.00 1.00 H new ATOM 0 HB2 PRO A 32 41.890 18.611 -1.578 1.00 1.00 H new ATOM 0 HB3 PRO A 32 43.152 17.801 -0.671 1.00 1.00 H new ATOM 0 HG2 PRO A 32 42.976 17.541 -3.339 1.00 1.00 H new ATOM 0 HG3 PRO A 32 43.526 16.214 -2.334 1.00 1.00 H new ATOM 0 HD2 PRO A 32 40.838 16.585 -3.668 1.00 1.00 H new ATOM 0 HD3 PRO A 32 41.734 15.103 -3.399 1.00 1.00 H new ATOM 460 N ALA A 33 38.992 17.694 -0.749 1.00 1.00 N ATOM 461 CA ALA A 33 37.856 18.495 -0.305 1.00 1.00 C ATOM 462 C ALA A 33 36.951 17.679 0.611 1.00 1.00 C ATOM 463 O ALA A 33 36.823 17.977 1.798 1.00 1.00 O ATOM 464 CB ALA A 33 37.056 18.980 -1.516 1.00 1.00 C ATOM 0 H ALA A 33 38.843 17.192 -1.624 1.00 1.00 H new ATOM 0 HA ALA A 33 38.234 19.354 0.249 1.00 1.00 H new ATOM 0 HB1 ALA A 33 36.209 19.577 -1.177 1.00 1.00 H new ATOM 0 HB2 ALA A 33 37.696 19.588 -2.155 1.00 1.00 H new ATOM 0 HB3 ALA A 33 36.692 18.121 -2.079 1.00 1.00 H new ATOM 470 N ILE A 34 36.327 16.647 0.052 1.00 1.00 N ATOM 471 CA ILE A 34 35.435 15.794 0.829 1.00 1.00 C ATOM 472 C ILE A 34 36.081 15.412 2.156 1.00 1.00 C ATOM 473 O ILE A 34 35.429 15.415 3.200 1.00 1.00 O ATOM 474 CB ILE A 34 35.102 14.528 0.038 1.00 1.00 C ATOM 475 CG1 ILE A 34 34.390 14.913 -1.261 1.00 1.00 C ATOM 476 CG2 ILE A 34 34.187 13.630 0.872 1.00 1.00 C ATOM 477 CD1 ILE A 34 34.502 13.764 -2.265 1.00 1.00 C ATOM 0 H ILE A 34 36.421 16.383 -0.929 1.00 1.00 H new ATOM 0 HA ILE A 34 34.518 16.347 1.030 1.00 1.00 H new ATOM 0 HB ILE A 34 36.022 13.992 -0.195 1.00 1.00 H new ATOM 0 HG12 ILE A 34 33.342 15.135 -1.061 1.00 1.00 H new ATOM 0 HG13 ILE A 34 34.834 15.818 -1.677 1.00 1.00 H new ATOM 0 HG21 ILE A 34 33.950 12.728 0.308 1.00 1.00 H new ATOM 0 HG22 ILE A 34 34.692 13.356 1.799 1.00 1.00 H new ATOM 0 HG23 ILE A 34 33.266 14.165 1.105 1.00 1.00 H new ATOM 0 HD11 ILE A 34 33.995 14.038 -3.190 1.00 1.00 H new ATOM 0 HD12 ILE A 34 35.553 13.564 -2.473 1.00 1.00 H new ATOM 0 HD13 ILE A 34 34.038 12.870 -1.848 1.00 1.00 H new ATOM 489 N TYR A 35 37.368 15.082 2.108 1.00 1.00 N ATOM 490 CA TYR A 35 38.093 14.699 3.314 1.00 1.00 C ATOM 491 C TYR A 35 37.932 15.760 4.397 1.00 1.00 C ATOM 492 O TYR A 35 37.650 15.443 5.553 1.00 1.00 O ATOM 493 CB TYR A 35 39.579 14.517 2.994 1.00 1.00 C ATOM 494 CG TYR A 35 39.884 13.045 2.841 1.00 1.00 C ATOM 495 CD1 TYR A 35 39.062 12.239 2.044 1.00 1.00 C ATOM 496 CD2 TYR A 35 40.989 12.488 3.495 1.00 1.00 C ATOM 497 CE1 TYR A 35 39.344 10.876 1.901 1.00 1.00 C ATOM 498 CE2 TYR A 35 41.272 11.124 3.352 1.00 1.00 C ATOM 499 CZ TYR A 35 40.450 10.318 2.555 1.00 1.00 C ATOM 500 OH TYR A 35 40.729 8.974 2.414 1.00 1.00 O ATOM 0 H TYR A 35 37.926 15.072 1.254 1.00 1.00 H new ATOM 0 HA TYR A 35 37.681 13.758 3.679 1.00 1.00 H new ATOM 0 HB2 TYR A 35 39.832 15.049 2.077 1.00 1.00 H new ATOM 0 HB3 TYR A 35 40.189 14.945 3.790 1.00 1.00 H new ATOM 0 HD1 TYR A 35 38.210 12.670 1.539 1.00 1.00 H new ATOM 0 HD2 TYR A 35 41.623 13.110 4.110 1.00 1.00 H new ATOM 0 HE1 TYR A 35 38.709 10.254 1.287 1.00 1.00 H new ATOM 0 HE2 TYR A 35 42.124 10.694 3.857 1.00 1.00 H new ATOM 0 HH TYR A 35 41.530 8.750 2.932 1.00 1.00 H new ATOM 510 N MET A 36 38.112 17.020 4.015 1.00 1.00 N ATOM 511 CA MET A 36 37.984 18.121 4.964 1.00 1.00 C ATOM 512 C MET A 36 36.585 18.143 5.573 1.00 1.00 C ATOM 513 O MET A 36 36.391 18.628 6.688 1.00 1.00 O ATOM 514 CB MET A 36 38.257 19.451 4.260 1.00 1.00 C ATOM 515 CG MET A 36 38.117 20.598 5.261 1.00 1.00 C ATOM 516 SD MET A 36 39.515 21.733 5.080 1.00 1.00 S ATOM 517 CE MET A 36 40.809 20.589 5.623 1.00 1.00 C ATOM 0 H MET A 36 38.345 17.303 3.063 1.00 1.00 H new ATOM 0 HA MET A 36 38.713 17.976 5.761 1.00 1.00 H new ATOM 0 HB2 MET A 36 39.259 19.449 3.832 1.00 1.00 H new ATOM 0 HB3 MET A 36 37.558 19.588 3.435 1.00 1.00 H new ATOM 0 HG2 MET A 36 37.180 21.129 5.093 1.00 1.00 H new ATOM 0 HG3 MET A 36 38.083 20.205 6.277 1.00 1.00 H new ATOM 0 HE1 MET A 36 41.583 21.141 6.156 1.00 1.00 H new ATOM 0 HE2 MET A 36 40.377 19.839 6.285 1.00 1.00 H new ATOM 0 HE3 MET A 36 41.247 20.097 4.755 1.00 1.00 H new ATOM 527 N LEU A 37 35.615 17.616 4.834 1.00 1.00 N ATOM 528 CA LEU A 37 34.238 17.581 5.311 1.00 1.00 C ATOM 529 C LEU A 37 34.001 16.346 6.176 1.00 1.00 C ATOM 530 O LEU A 37 33.164 16.358 7.078 1.00 1.00 O ATOM 531 CB LEU A 37 33.272 17.567 4.125 1.00 1.00 C ATOM 532 CG LEU A 37 33.708 18.616 3.101 1.00 1.00 C ATOM 533 CD1 LEU A 37 32.673 18.694 1.977 1.00 1.00 C ATOM 534 CD2 LEU A 37 33.818 19.980 3.786 1.00 1.00 C ATOM 0 H LEU A 37 35.755 17.210 3.909 1.00 1.00 H new ATOM 0 HA LEU A 37 34.061 18.473 5.912 1.00 1.00 H new ATOM 0 HB2 LEU A 37 33.257 16.579 3.666 1.00 1.00 H new ATOM 0 HB3 LEU A 37 32.258 17.775 4.466 1.00 1.00 H new ATOM 0 HG LEU A 37 34.676 18.337 2.685 1.00 1.00 H new ATOM 0 HD11 LEU A 37 32.984 19.442 1.247 1.00 1.00 H new ATOM 0 HD12 LEU A 37 32.592 17.723 1.489 1.00 1.00 H new ATOM 0 HD13 LEU A 37 31.705 18.973 2.393 1.00 1.00 H new ATOM 0 HD21 LEU A 37 34.129 20.729 3.058 1.00 1.00 H new ATOM 0 HD22 LEU A 37 32.849 20.258 4.201 1.00 1.00 H new ATOM 0 HD23 LEU A 37 34.555 19.926 4.588 1.00 1.00 H new ATOM 546 N VAL A 38 34.745 15.281 5.895 1.00 1.00 N ATOM 547 CA VAL A 38 34.608 14.044 6.652 1.00 1.00 C ATOM 548 C VAL A 38 35.583 14.025 7.826 1.00 1.00 C ATOM 549 O VAL A 38 35.722 13.013 8.514 1.00 1.00 O ATOM 550 CB VAL A 38 34.877 12.842 5.744 1.00 1.00 C ATOM 551 CG1 VAL A 38 34.763 11.551 6.556 1.00 1.00 C ATOM 552 CG2 VAL A 38 33.849 12.823 4.611 1.00 1.00 C ATOM 0 H VAL A 38 35.444 15.250 5.153 1.00 1.00 H new ATOM 0 HA VAL A 38 33.590 13.987 7.037 1.00 1.00 H new ATOM 0 HB VAL A 38 35.881 12.919 5.326 1.00 1.00 H new ATOM 0 HG11 VAL A 38 34.955 10.696 5.908 1.00 1.00 H new ATOM 0 HG12 VAL A 38 35.493 11.564 7.365 1.00 1.00 H new ATOM 0 HG13 VAL A 38 33.760 11.472 6.974 1.00 1.00 H new ATOM 0 HG21 VAL A 38 34.038 11.968 3.962 1.00 1.00 H new ATOM 0 HG22 VAL A 38 32.846 12.745 5.031 1.00 1.00 H new ATOM 0 HG23 VAL A 38 33.929 13.743 4.031 1.00 1.00 H new ATOM 562 N PHE A 39 36.255 15.149 8.049 1.00 1.00 N ATOM 563 CA PHE A 39 37.214 15.250 9.142 1.00 1.00 C ATOM 564 C PHE A 39 36.565 15.889 10.367 1.00 1.00 C ATOM 565 O PHE A 39 36.853 15.509 11.502 1.00 1.00 O ATOM 566 CB PHE A 39 38.418 16.087 8.705 1.00 1.00 C ATOM 567 CG PHE A 39 39.589 15.797 9.613 1.00 1.00 C ATOM 568 CD1 PHE A 39 40.312 14.608 9.465 1.00 1.00 C ATOM 569 CD2 PHE A 39 39.952 16.718 10.603 1.00 1.00 C ATOM 570 CE1 PHE A 39 41.399 14.339 10.307 1.00 1.00 C ATOM 571 CE2 PHE A 39 41.038 16.450 11.446 1.00 1.00 C ATOM 572 CZ PHE A 39 41.761 15.260 11.297 1.00 1.00 C ATOM 0 H PHE A 39 36.154 15.997 7.492 1.00 1.00 H new ATOM 0 HA PHE A 39 37.546 14.245 9.403 1.00 1.00 H new ATOM 0 HB2 PHE A 39 38.679 15.856 7.672 1.00 1.00 H new ATOM 0 HB3 PHE A 39 38.170 17.148 8.742 1.00 1.00 H new ATOM 0 HD1 PHE A 39 40.032 13.897 8.701 1.00 1.00 H new ATOM 0 HD2 PHE A 39 39.394 17.636 10.717 1.00 1.00 H new ATOM 0 HE1 PHE A 39 41.957 13.422 10.192 1.00 1.00 H new ATOM 0 HE2 PHE A 39 41.317 17.160 12.210 1.00 1.00 H new ATOM 0 HZ PHE A 39 42.599 15.053 11.946 1.00 1.00 H new ATOM 582 N LEU A 40 35.690 16.859 10.127 1.00 1.00 N ATOM 583 CA LEU A 40 35.005 17.544 11.219 1.00 1.00 C ATOM 584 C LEU A 40 33.864 16.687 11.755 1.00 1.00 C ATOM 585 O LEU A 40 33.213 17.047 12.736 1.00 1.00 O ATOM 586 CB LEU A 40 34.454 18.884 10.730 1.00 1.00 C ATOM 587 CG LEU A 40 35.437 19.512 9.740 1.00 1.00 C ATOM 588 CD1 LEU A 40 34.956 20.914 9.362 1.00 1.00 C ATOM 589 CD2 LEU A 40 36.820 19.606 10.388 1.00 1.00 C ATOM 0 H LEU A 40 35.439 17.187 9.195 1.00 1.00 H new ATOM 0 HA LEU A 40 35.722 17.718 12.022 1.00 1.00 H new ATOM 0 HB2 LEU A 40 33.485 18.738 10.253 1.00 1.00 H new ATOM 0 HB3 LEU A 40 34.295 19.554 11.575 1.00 1.00 H new ATOM 0 HG LEU A 40 35.495 18.894 8.844 1.00 1.00 H new ATOM 0 HD11 LEU A 40 35.657 21.361 8.657 1.00 1.00 H new ATOM 0 HD12 LEU A 40 33.970 20.849 8.902 1.00 1.00 H new ATOM 0 HD13 LEU A 40 34.898 21.533 10.258 1.00 1.00 H new ATOM 0 HD21 LEU A 40 37.522 20.053 9.684 1.00 1.00 H new ATOM 0 HD22 LEU A 40 36.761 20.224 11.284 1.00 1.00 H new ATOM 0 HD23 LEU A 40 37.164 18.608 10.658 1.00 1.00 H new ATOM 601 N LEU A 41 33.627 15.551 11.105 1.00 1.00 N ATOM 602 CA LEU A 41 32.561 14.649 11.524 1.00 1.00 C ATOM 603 C LEU A 41 33.043 13.202 11.498 1.00 1.00 C ATOM 604 O LEU A 41 32.265 12.273 11.719 1.00 1.00 O ATOM 605 CB LEU A 41 31.352 14.803 10.600 1.00 1.00 C ATOM 606 CG LEU A 41 30.888 16.260 10.605 1.00 1.00 C ATOM 607 CD1 LEU A 41 31.482 16.990 9.399 1.00 1.00 C ATOM 608 CD2 LEU A 41 29.360 16.307 10.525 1.00 1.00 C ATOM 0 H LEU A 41 34.155 15.235 10.292 1.00 1.00 H new ATOM 0 HA LEU A 41 32.273 14.906 12.543 1.00 1.00 H new ATOM 0 HB2 LEU A 41 31.614 14.497 9.587 1.00 1.00 H new ATOM 0 HB3 LEU A 41 30.543 14.152 10.931 1.00 1.00 H new ATOM 0 HG LEU A 41 31.221 16.744 11.523 1.00 1.00 H new ATOM 0 HD11 LEU A 41 31.151 18.028 9.403 1.00 1.00 H new ATOM 0 HD12 LEU A 41 32.570 16.956 9.453 1.00 1.00 H new ATOM 0 HD13 LEU A 41 31.149 16.507 8.481 1.00 1.00 H new ATOM 0 HD21 LEU A 41 29.027 17.345 10.528 1.00 1.00 H new ATOM 0 HD22 LEU A 41 29.029 15.823 9.606 1.00 1.00 H new ATOM 0 HD23 LEU A 41 28.935 15.787 11.383 1.00 1.00 H new ATOM 620 N GLY A 42 34.330 13.017 11.224 1.00 1.00 N ATOM 621 CA GLY A 42 34.906 11.678 11.170 1.00 1.00 C ATOM 622 C GLY A 42 35.387 11.236 12.547 1.00 1.00 C ATOM 623 O GLY A 42 35.157 10.099 12.960 1.00 1.00 O ATOM 0 H GLY A 42 34.990 13.772 11.037 1.00 1.00 H new ATOM 0 HA2 GLY A 42 34.163 10.973 10.797 1.00 1.00 H new ATOM 0 HA3 GLY A 42 35.740 11.665 10.468 1.00 1.00 H new ATOM 627 N THR A 43 36.055 12.141 13.254 1.00 1.00 N ATOM 628 CA THR A 43 36.564 11.833 14.585 1.00 1.00 C ATOM 629 C THR A 43 36.362 13.018 15.525 1.00 1.00 C ATOM 630 O THR A 43 36.009 12.845 16.690 1.00 1.00 O ATOM 631 CB THR A 43 38.054 11.489 14.508 1.00 1.00 C ATOM 632 OG1 THR A 43 38.532 11.174 15.808 1.00 1.00 O ATOM 633 CG2 THR A 43 38.828 12.686 13.954 1.00 1.00 C ATOM 0 H THR A 43 36.256 13.087 12.930 1.00 1.00 H new ATOM 0 HA THR A 43 36.013 10.977 14.974 1.00 1.00 H new ATOM 0 HB THR A 43 38.196 10.632 13.850 1.00 1.00 H new ATOM 0 HG1 THR A 43 39.485 10.952 15.761 1.00 1.00 H new ATOM 0 HG21 THR A 43 39.888 12.440 13.900 1.00 1.00 H new ATOM 0 HG22 THR A 43 38.460 12.927 12.957 1.00 1.00 H new ATOM 0 HG23 THR A 43 38.688 13.545 14.610 1.00 1.00 H new ATOM 641 N THR A 44 36.588 14.222 15.007 1.00 1.00 N ATOM 642 CA THR A 44 36.427 15.428 15.810 1.00 1.00 C ATOM 643 C THR A 44 35.025 15.491 16.408 1.00 1.00 C ATOM 644 O THR A 44 34.838 15.973 17.526 1.00 1.00 O ATOM 645 CB THR A 44 36.671 16.667 14.945 1.00 1.00 C ATOM 646 OG1 THR A 44 38.068 16.833 14.742 1.00 1.00 O ATOM 647 CG2 THR A 44 36.105 17.902 15.647 1.00 1.00 C ATOM 0 H THR A 44 36.880 14.387 14.044 1.00 1.00 H new ATOM 0 HA THR A 44 37.154 15.402 16.621 1.00 1.00 H new ATOM 0 HB THR A 44 36.176 16.541 13.982 1.00 1.00 H new ATOM 0 HG1 THR A 44 38.226 17.625 14.187 1.00 1.00 H new ATOM 0 HG21 THR A 44 36.280 18.783 15.030 1.00 1.00 H new ATOM 0 HG22 THR A 44 35.034 17.774 15.802 1.00 1.00 H new ATOM 0 HG23 THR A 44 36.598 18.031 16.611 1.00 1.00 H new ATOM 655 N GLY A 45 34.045 15.002 15.657 1.00 1.00 N ATOM 656 CA GLY A 45 32.663 15.007 16.124 1.00 1.00 C ATOM 657 C GLY A 45 32.579 14.574 17.584 1.00 1.00 C ATOM 658 O GLY A 45 31.629 14.914 18.289 1.00 1.00 O ATOM 0 H GLY A 45 34.179 14.600 14.729 1.00 1.00 H new ATOM 0 HA2 GLY A 45 32.241 16.006 16.012 1.00 1.00 H new ATOM 0 HA3 GLY A 45 32.064 14.337 15.507 1.00 1.00 H new ATOM 662 N ASN A 46 33.580 13.824 18.031 1.00 1.00 N ATOM 663 CA ASN A 46 33.609 13.349 19.410 1.00 1.00 C ATOM 664 C ASN A 46 35.020 13.452 19.981 1.00 1.00 C ATOM 665 O ASN A 46 35.282 12.999 21.096 1.00 1.00 O ATOM 666 CB ASN A 46 33.137 11.895 19.472 1.00 1.00 C ATOM 667 CG ASN A 46 31.784 11.817 20.171 1.00 1.00 C ATOM 668 OD1 ASN A 46 31.550 10.912 20.973 1.00 1.00 O ATOM 669 ND2 ASN A 46 30.874 12.717 19.915 1.00 1.00 N ATOM 0 H ASN A 46 34.377 13.533 17.464 1.00 1.00 H new ATOM 0 HA ASN A 46 32.941 13.973 20.004 1.00 1.00 H new ATOM 0 HB2 ASN A 46 33.060 11.486 18.465 1.00 1.00 H new ATOM 0 HB3 ASN A 46 33.868 11.289 20.007 1.00 1.00 H new ATOM 0 HD21 ASN A 46 29.967 12.672 20.379 1.00 1.00 H new ATOM 0 HD22 ASN A 46 31.070 13.466 19.251 1.00 1.00 H new ATOM 676 N GLY A 47 35.923 14.050 19.213 1.00 1.00 N ATOM 677 CA GLY A 47 37.304 14.207 19.654 1.00 1.00 C ATOM 678 C GLY A 47 37.492 15.525 20.395 1.00 1.00 C ATOM 679 O GLY A 47 38.614 15.904 20.733 1.00 1.00 O ATOM 0 H GLY A 47 35.726 14.432 18.288 1.00 1.00 H new ATOM 0 HA2 GLY A 47 37.579 13.377 20.305 1.00 1.00 H new ATOM 0 HA3 GLY A 47 37.971 14.171 18.793 1.00 1.00 H new ATOM 683 N LEU A 48 36.387 16.221 20.646 1.00 1.00 N ATOM 684 CA LEU A 48 36.443 17.497 21.348 1.00 1.00 C ATOM 685 C LEU A 48 36.064 17.318 22.815 1.00 1.00 C ATOM 686 O LEU A 48 36.464 18.108 23.670 1.00 1.00 O ATOM 687 CB LEU A 48 35.490 18.497 20.691 1.00 1.00 C ATOM 688 CG LEU A 48 36.228 19.257 19.588 1.00 1.00 C ATOM 689 CD1 LEU A 48 35.222 19.754 18.549 1.00 1.00 C ATOM 690 CD2 LEU A 48 36.963 20.453 20.197 1.00 1.00 C ATOM 0 H LEU A 48 35.449 15.925 20.376 1.00 1.00 H new ATOM 0 HA LEU A 48 37.463 17.877 21.292 1.00 1.00 H new ATOM 0 HB2 LEU A 48 34.629 17.975 20.274 1.00 1.00 H new ATOM 0 HB3 LEU A 48 35.109 19.195 21.436 1.00 1.00 H new ATOM 0 HG LEU A 48 36.947 18.593 19.109 1.00 1.00 H new ATOM 0 HD11 LEU A 48 35.748 20.296 17.763 1.00 1.00 H new ATOM 0 HD12 LEU A 48 34.697 18.903 18.115 1.00 1.00 H new ATOM 0 HD13 LEU A 48 34.502 20.418 19.028 1.00 1.00 H new ATOM 0 HD21 LEU A 48 37.489 20.995 19.411 1.00 1.00 H new ATOM 0 HD22 LEU A 48 36.243 21.117 20.676 1.00 1.00 H new ATOM 0 HD23 LEU A 48 37.681 20.100 20.938 1.00 1.00 H new ATOM 702 N VAL A 49 35.290 16.275 23.098 1.00 1.00 N ATOM 703 CA VAL A 49 34.863 16.003 24.467 1.00 1.00 C ATOM 704 C VAL A 49 36.039 15.518 25.307 1.00 1.00 C ATOM 705 O VAL A 49 35.856 15.035 26.425 1.00 1.00 O ATOM 706 CB VAL A 49 33.759 14.945 24.469 1.00 1.00 C ATOM 707 CG1 VAL A 49 32.445 15.576 24.004 1.00 1.00 C ATOM 708 CG2 VAL A 49 34.141 13.808 23.520 1.00 1.00 C ATOM 0 H VAL A 49 34.948 15.609 22.405 1.00 1.00 H new ATOM 0 HA VAL A 49 34.479 16.927 24.900 1.00 1.00 H new ATOM 0 HB VAL A 49 33.636 14.552 25.478 1.00 1.00 H new ATOM 0 HG11 VAL A 49 31.658 14.821 24.006 1.00 1.00 H new ATOM 0 HG12 VAL A 49 32.172 16.387 24.679 1.00 1.00 H new ATOM 0 HG13 VAL A 49 32.568 15.970 22.995 1.00 1.00 H new ATOM 0 HG21 VAL A 49 33.354 13.053 23.521 1.00 1.00 H new ATOM 0 HG22 VAL A 49 34.265 14.202 22.511 1.00 1.00 H new ATOM 0 HG23 VAL A 49 35.077 13.357 23.851 1.00 1.00 H new ATOM 718 N LEU A 50 37.246 15.651 24.760 1.00 1.00 N ATOM 719 CA LEU A 50 38.452 15.226 25.464 1.00 1.00 C ATOM 720 C LEU A 50 39.347 16.425 25.761 1.00 1.00 C ATOM 721 O LEU A 50 39.849 16.576 26.875 1.00 1.00 O ATOM 722 CB LEU A 50 39.223 14.213 24.613 1.00 1.00 C ATOM 723 CG LEU A 50 38.266 13.131 24.113 1.00 1.00 C ATOM 724 CD1 LEU A 50 39.047 12.092 23.307 1.00 1.00 C ATOM 725 CD2 LEU A 50 37.597 12.450 25.309 1.00 1.00 C ATOM 0 H LEU A 50 37.413 16.048 23.835 1.00 1.00 H new ATOM 0 HA LEU A 50 38.157 14.762 26.405 1.00 1.00 H new ATOM 0 HB2 LEU A 50 39.693 14.716 23.768 1.00 1.00 H new ATOM 0 HB3 LEU A 50 40.023 13.762 25.201 1.00 1.00 H new ATOM 0 HG LEU A 50 37.504 13.585 23.479 1.00 1.00 H new ATOM 0 HD11 LEU A 50 38.365 11.320 22.950 1.00 1.00 H new ATOM 0 HD12 LEU A 50 39.524 12.576 22.455 1.00 1.00 H new ATOM 0 HD13 LEU A 50 39.809 11.638 23.940 1.00 1.00 H new ATOM 0 HD21 LEU A 50 36.914 11.678 24.953 1.00 1.00 H new ATOM 0 HD22 LEU A 50 38.359 11.996 25.943 1.00 1.00 H new ATOM 0 HD23 LEU A 50 37.040 13.190 25.884 1.00 1.00 H new ATOM 737 N TRP A 51 39.542 17.274 24.758 1.00 1.00 N ATOM 738 CA TRP A 51 40.378 18.457 24.922 1.00 1.00 C ATOM 739 C TRP A 51 39.571 19.609 25.513 1.00 1.00 C ATOM 740 O TRP A 51 40.112 20.465 26.211 1.00 1.00 O ATOM 741 CB TRP A 51 40.958 18.878 23.570 1.00 1.00 C ATOM 742 CG TRP A 51 41.286 20.336 23.600 1.00 1.00 C ATOM 743 CD1 TRP A 51 42.070 20.937 24.523 1.00 1.00 C ATOM 744 CD2 TRP A 51 40.853 21.384 22.685 1.00 1.00 C ATOM 745 NE1 TRP A 51 42.147 22.288 24.234 1.00 1.00 N ATOM 746 CE2 TRP A 51 41.414 22.613 23.110 1.00 1.00 C ATOM 747 CE3 TRP A 51 40.037 21.389 21.540 1.00 1.00 C ATOM 748 CZ2 TRP A 51 41.173 23.803 22.423 1.00 1.00 C ATOM 749 CZ3 TRP A 51 39.794 22.586 20.845 1.00 1.00 C ATOM 750 CH2 TRP A 51 40.362 23.790 21.286 1.00 1.00 C ATOM 0 H TRP A 51 39.135 17.166 23.829 1.00 1.00 H new ATOM 0 HA TRP A 51 41.191 18.211 25.606 1.00 1.00 H new ATOM 0 HB2 TRP A 51 41.854 18.297 23.350 1.00 1.00 H new ATOM 0 HB3 TRP A 51 40.241 18.672 22.775 1.00 1.00 H new ATOM 0 HD1 TRP A 51 42.557 20.443 25.351 1.00 1.00 H new ATOM 0 HE1 TRP A 51 42.680 22.961 24.784 1.00 1.00 H new ATOM 0 HE3 TRP A 51 39.594 20.467 21.192 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 41.611 24.728 22.768 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 39.166 22.579 19.966 1.00 1.00 H new ATOM 0 HH2 TRP A 51 40.172 24.706 20.747 1.00 1.00 H new ATOM 761 N THR A 52 38.273 19.622 25.227 1.00 1.00 N ATOM 762 CA THR A 52 37.400 20.673 25.735 1.00 1.00 C ATOM 763 C THR A 52 36.990 20.380 27.175 1.00 1.00 C ATOM 764 O THR A 52 37.123 21.231 28.054 1.00 1.00 O ATOM 765 CB THR A 52 36.150 20.782 24.859 1.00 1.00 C ATOM 766 OG1 THR A 52 36.533 20.803 23.491 1.00 1.00 O ATOM 767 CG2 THR A 52 35.396 22.068 25.199 1.00 1.00 C ATOM 0 H THR A 52 37.806 18.922 24.651 1.00 1.00 H new ATOM 0 HA THR A 52 37.945 21.616 25.709 1.00 1.00 H new ATOM 0 HB THR A 52 35.502 19.925 25.043 1.00 1.00 H new ATOM 0 HG1 THR A 52 36.605 19.884 23.157 1.00 1.00 H new ATOM 0 HG21 THR A 52 34.506 22.144 24.574 1.00 1.00 H new ATOM 0 HG22 THR A 52 35.102 22.051 26.249 1.00 1.00 H new ATOM 0 HG23 THR A 52 36.042 22.927 25.017 1.00 1.00 H new ATOM 775 N VAL A 53 36.493 19.170 27.408 1.00 1.00 N ATOM 776 CA VAL A 53 36.067 18.773 28.746 1.00 1.00 C ATOM 777 C VAL A 53 37.088 19.219 29.785 1.00 1.00 C ATOM 778 O VAL A 53 36.754 19.426 30.952 1.00 1.00 O ATOM 779 CB VAL A 53 35.895 17.253 28.809 1.00 1.00 C ATOM 780 CG1 VAL A 53 37.231 16.592 29.162 1.00 1.00 C ATOM 781 CG2 VAL A 53 34.856 16.902 29.875 1.00 1.00 C ATOM 0 H VAL A 53 36.376 18.451 26.694 1.00 1.00 H new ATOM 0 HA VAL A 53 35.113 19.253 28.964 1.00 1.00 H new ATOM 0 HB VAL A 53 35.560 16.889 27.837 1.00 1.00 H new ATOM 0 HG11 VAL A 53 37.102 15.511 29.205 1.00 1.00 H new ATOM 0 HG12 VAL A 53 37.971 16.839 28.401 1.00 1.00 H new ATOM 0 HG13 VAL A 53 37.572 16.956 30.131 1.00 1.00 H new ATOM 0 HG21 VAL A 53 34.733 15.820 29.921 1.00 1.00 H new ATOM 0 HG22 VAL A 53 35.191 17.270 30.845 1.00 1.00 H new ATOM 0 HG23 VAL A 53 33.903 17.365 29.620 1.00 1.00 H new ATOM 791 N PHE A 54 38.335 19.360 29.354 1.00 1.00 N ATOM 792 CA PHE A 54 39.404 19.776 30.251 1.00 1.00 C ATOM 793 C PHE A 54 39.615 21.285 30.171 1.00 1.00 C ATOM 794 O PHE A 54 40.720 21.781 30.389 1.00 1.00 O ATOM 795 CB PHE A 54 40.700 19.053 29.880 1.00 1.00 C ATOM 796 CG PHE A 54 41.436 18.660 31.139 1.00 1.00 C ATOM 797 CD1 PHE A 54 42.340 19.550 31.728 1.00 1.00 C ATOM 798 CD2 PHE A 54 41.214 17.403 31.715 1.00 1.00 C ATOM 799 CE1 PHE A 54 43.023 19.184 32.894 1.00 1.00 C ATOM 800 CE2 PHE A 54 41.896 17.037 32.882 1.00 1.00 C ATOM 801 CZ PHE A 54 42.801 17.928 33.471 1.00 1.00 C ATOM 0 H PHE A 54 38.630 19.193 28.392 1.00 1.00 H new ATOM 0 HA PHE A 54 39.122 19.518 31.272 1.00 1.00 H new ATOM 0 HB2 PHE A 54 40.477 18.167 29.285 1.00 1.00 H new ATOM 0 HB3 PHE A 54 41.327 19.700 29.266 1.00 1.00 H new ATOM 0 HD1 PHE A 54 42.511 20.519 31.283 1.00 1.00 H new ATOM 0 HD2 PHE A 54 40.517 16.716 31.259 1.00 1.00 H new ATOM 0 HE1 PHE A 54 43.721 19.871 33.349 1.00 1.00 H new ATOM 0 HE2 PHE A 54 41.724 16.068 33.327 1.00 1.00 H new ATOM 0 HZ PHE A 54 43.328 17.646 34.371 1.00 1.00 H new ATOM 811 N ARG A 55 38.545 22.009 29.858 1.00 1.00 N ATOM 812 CA ARG A 55 38.620 23.461 29.751 1.00 1.00 C ATOM 813 C ARG A 55 37.356 24.102 30.313 1.00 1.00 C ATOM 814 O ARG A 55 37.350 25.281 30.668 1.00 1.00 O ATOM 815 CB ARG A 55 38.794 23.869 28.288 1.00 1.00 C ATOM 816 CG ARG A 55 40.186 23.458 27.803 1.00 1.00 C ATOM 817 CD ARG A 55 40.351 23.850 26.335 1.00 1.00 C ATOM 818 NE ARG A 55 41.593 24.592 26.147 1.00 1.00 N ATOM 819 CZ ARG A 55 42.764 24.073 26.505 1.00 1.00 C ATOM 820 NH1 ARG A 55 42.815 22.881 27.035 1.00 1.00 N ATOM 821 NH2 ARG A 55 43.862 24.757 26.329 1.00 1.00 N ATOM 0 H ARG A 55 37.621 21.617 29.675 1.00 1.00 H new ATOM 0 HA ARG A 55 39.478 23.806 30.327 1.00 1.00 H new ATOM 0 HB2 ARG A 55 38.029 23.394 27.674 1.00 1.00 H new ATOM 0 HB3 ARG A 55 38.664 24.946 28.182 1.00 1.00 H new ATOM 0 HG2 ARG A 55 40.952 23.943 28.408 1.00 1.00 H new ATOM 0 HG3 ARG A 55 40.321 22.383 27.921 1.00 1.00 H new ATOM 0 HD2 ARG A 55 40.355 22.956 25.711 1.00 1.00 H new ATOM 0 HD3 ARG A 55 39.504 24.458 26.016 1.00 1.00 H new ATOM 0 HE ARG A 55 41.563 25.524 25.734 1.00 1.00 H new ATOM 0 HH11 ARG A 55 41.957 22.348 27.174 1.00 1.00 H new ATOM 0 HH12 ARG A 55 43.713 22.483 27.310 1.00 1.00 H new ATOM 0 HH21 ARG A 55 43.822 25.689 25.917 1.00 1.00 H new ATOM 0 HH22 ARG A 55 44.760 24.359 26.604 1.00 1.00 H new ATOM 835 N LYS A 56 36.286 23.317 30.391 1.00 1.00 N ATOM 836 CA LYS A 56 35.018 23.818 30.912 1.00 1.00 C ATOM 837 C LYS A 56 34.909 23.542 32.408 1.00 1.00 C ATOM 838 O LYS A 56 34.165 24.216 33.121 1.00 1.00 O ATOM 839 CB LYS A 56 33.854 23.147 30.182 1.00 1.00 C ATOM 840 CG LYS A 56 33.826 21.656 30.525 1.00 1.00 C ATOM 841 CD LYS A 56 32.701 21.379 31.525 1.00 1.00 C ATOM 842 CE LYS A 56 31.352 21.409 30.801 1.00 1.00 C ATOM 843 NZ LYS A 56 30.368 22.171 31.619 1.00 1.00 N ATOM 0 H LYS A 56 36.270 22.339 30.103 1.00 1.00 H new ATOM 0 HA LYS A 56 34.978 24.895 30.748 1.00 1.00 H new ATOM 0 HB2 LYS A 56 32.913 23.615 30.470 1.00 1.00 H new ATOM 0 HB3 LYS A 56 33.960 23.281 29.106 1.00 1.00 H new ATOM 0 HG2 LYS A 56 33.675 21.067 29.620 1.00 1.00 H new ATOM 0 HG3 LYS A 56 34.784 21.352 30.947 1.00 1.00 H new ATOM 0 HD2 LYS A 56 32.851 20.408 31.996 1.00 1.00 H new ATOM 0 HD3 LYS A 56 32.715 22.125 32.320 1.00 1.00 H new ATOM 0 HE2 LYS A 56 31.463 21.873 29.821 1.00 1.00 H new ATOM 0 HE3 LYS A 56 30.994 20.393 30.634 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 29.451 22.192 31.128 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 30.255 21.710 32.544 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 30.710 23.144 31.756 1.00 1.00 H new ATOM 857 N LYS A 57 35.657 22.550 32.878 1.00 1.00 N ATOM 858 CA LYS A 57 35.638 22.192 34.290 1.00 1.00 C ATOM 859 C LYS A 57 36.090 23.374 35.144 1.00 1.00 C ATOM 860 O LYS A 57 35.597 23.575 36.253 1.00 1.00 O ATOM 861 CB LYS A 57 36.564 20.994 34.529 1.00 1.00 C ATOM 862 CG LYS A 57 36.445 20.515 35.981 1.00 1.00 C ATOM 863 CD LYS A 57 35.028 19.996 36.252 1.00 1.00 C ATOM 864 CE LYS A 57 35.086 18.882 37.301 1.00 1.00 C ATOM 865 NZ LYS A 57 33.706 18.398 37.586 1.00 1.00 N ATOM 0 H LYS A 57 36.281 21.982 32.305 1.00 1.00 H new ATOM 0 HA LYS A 57 34.620 21.926 34.573 1.00 1.00 H new ATOM 0 HB2 LYS A 57 36.305 20.183 33.848 1.00 1.00 H new ATOM 0 HB3 LYS A 57 37.595 21.273 34.314 1.00 1.00 H new ATOM 0 HG2 LYS A 57 37.172 19.726 36.172 1.00 1.00 H new ATOM 0 HG3 LYS A 57 36.677 21.334 36.662 1.00 1.00 H new ATOM 0 HD2 LYS A 57 34.392 20.809 36.603 1.00 1.00 H new ATOM 0 HD3 LYS A 57 34.584 19.620 35.330 1.00 1.00 H new ATOM 0 HE2 LYS A 57 35.704 18.060 36.941 1.00 1.00 H new ATOM 0 HE3 LYS A 57 35.549 19.252 38.215 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 33.744 17.641 38.298 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 33.130 19.185 37.947 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 33.280 18.030 36.712 1.00 1.00 H new ATOM 879 N GLY A 58 37.029 24.153 34.617 1.00 1.00 N ATOM 880 CA GLY A 58 37.539 25.313 35.340 1.00 1.00 C ATOM 881 C GLY A 58 38.891 25.006 35.976 1.00 1.00 C ATOM 882 O GLY A 58 39.796 25.841 35.964 1.00 1.00 O ATOM 0 H GLY A 58 37.450 24.004 33.700 1.00 1.00 H new ATOM 0 HA2 GLY A 58 37.637 26.158 34.658 1.00 1.00 H new ATOM 0 HA3 GLY A 58 36.828 25.607 36.112 1.00 1.00 H new ATOM 886 N HIS A 59 39.019 23.805 36.531 1.00 1.00 N ATOM 887 CA HIS A 59 40.265 23.400 37.169 1.00 1.00 C ATOM 888 C HIS A 59 40.279 21.893 37.408 1.00 1.00 C ATOM 889 O HIS A 59 39.885 21.114 36.541 1.00 1.00 O ATOM 890 CB HIS A 59 40.431 24.130 38.503 1.00 1.00 C ATOM 891 CG HIS A 59 39.392 23.644 39.474 1.00 1.00 C ATOM 892 ND1 HIS A 59 38.234 22.927 39.296 1.00 1.00 N flip ATOM 893 CD2 HIS A 59 39.481 23.886 40.837 1.00 1.00 C flip ATOM 894 CE1 HIS A 59 37.614 22.727 40.526 1.00 1.00 C flip ATOM 895 NE2 HIS A 59 38.407 23.324 41.419 1.00 1.00 N flip ATOM 0 H HIS A 59 38.281 23.101 36.552 1.00 1.00 H new ATOM 0 HA HIS A 59 41.091 23.660 36.507 1.00 1.00 H new ATOM 0 HB2 HIS A 59 41.429 23.954 38.904 1.00 1.00 H new ATOM 0 HB3 HIS A 59 40.332 25.205 38.356 1.00 1.00 H new ATOM 0 HD2 HIS A 59 40.269 24.427 41.339 1.00 1.00 H new ATOM 0 HE1 HIS A 59 36.690 22.202 40.717 1.00 1.00 H new ATOM 0 HE2 HIS A 59 38.221 23.351 42.421 1.00 1.00 H new ATOM 903 N HIS A 60 40.736 21.490 38.590 1.00 1.00 N ATOM 904 CA HIS A 60 40.797 20.074 38.932 1.00 1.00 C ATOM 905 C HIS A 60 39.439 19.582 39.419 1.00 1.00 C ATOM 906 O HIS A 60 38.503 19.430 38.633 1.00 1.00 O ATOM 907 CB HIS A 60 41.846 19.845 40.021 1.00 1.00 C ATOM 908 CG HIS A 60 43.222 20.007 39.435 1.00 1.00 C ATOM 909 ND1 HIS A 60 44.367 19.626 40.118 1.00 1.00 N ATOM 910 CD2 HIS A 60 43.653 20.508 38.231 1.00 1.00 C ATOM 911 CE1 HIS A 60 45.421 19.900 39.328 1.00 1.00 C ATOM 912 NE2 HIS A 60 45.041 20.439 38.166 1.00 1.00 N ATOM 0 H HIS A 60 41.067 22.119 39.322 1.00 1.00 H new ATOM 0 HA HIS A 60 41.074 19.515 38.038 1.00 1.00 H new ATOM 0 HB2 HIS A 60 41.700 20.554 40.836 1.00 1.00 H new ATOM 0 HB3 HIS A 60 41.735 18.847 40.444 1.00 1.00 H new ATOM 0 HD2 HIS A 60 43.012 20.896 37.453 1.00 1.00 H new ATOM 0 HE1 HIS A 60 46.448 19.708 39.600 1.00 1.00 H new ATOM 0 HE2 HIS A 60 45.640 20.736 37.396 1.00 1.00 H new ATOM 920 N HIS A 61 39.337 19.336 40.721 1.00 1.00 N ATOM 921 CA HIS A 61 38.086 18.861 41.304 1.00 1.00 C ATOM 922 C HIS A 61 37.840 19.523 42.656 1.00 1.00 C ATOM 923 O HIS A 61 36.865 20.253 42.833 1.00 1.00 O ATOM 924 CB HIS A 61 38.134 17.343 41.477 1.00 1.00 C ATOM 925 CG HIS A 61 36.789 16.847 41.931 1.00 1.00 C ATOM 926 ND1 HIS A 61 36.646 15.949 42.978 1.00 1.00 N ATOM 927 CD2 HIS A 61 35.515 17.116 41.493 1.00 1.00 C ATOM 928 CE1 HIS A 61 35.331 15.711 43.132 1.00 1.00 C ATOM 929 NE2 HIS A 61 34.597 16.398 42.253 1.00 1.00 N ATOM 0 H HIS A 61 40.099 19.456 41.389 1.00 1.00 H new ATOM 0 HA HIS A 61 37.270 19.123 40.631 1.00 1.00 H new ATOM 0 HB2 HIS A 61 38.410 16.868 40.536 1.00 1.00 H new ATOM 0 HB3 HIS A 61 38.898 17.073 42.206 1.00 1.00 H new ATOM 0 HD2 HIS A 61 35.264 17.783 40.682 1.00 1.00 H new ATOM 0 HE1 HIS A 61 34.919 15.045 43.876 1.00 1.00 H new ATOM 0 HE2 HIS A 61 33.581 16.397 42.159 1.00 1.00 H new ATOM 937 N HIS A 62 38.730 19.261 43.608 1.00 1.00 N ATOM 938 CA HIS A 62 38.599 19.836 44.942 1.00 1.00 C ATOM 939 C HIS A 62 38.993 21.309 44.930 1.00 1.00 C ATOM 940 O HIS A 62 38.149 22.186 44.746 1.00 1.00 O ATOM 941 CB HIS A 62 39.488 19.075 45.928 1.00 1.00 C ATOM 942 CG HIS A 62 39.636 19.879 47.191 1.00 1.00 C ATOM 943 ND1 HIS A 62 38.543 20.328 47.913 1.00 1.00 N ATOM 944 CD2 HIS A 62 40.743 20.320 47.872 1.00 1.00 C ATOM 945 CE1 HIS A 62 39.010 21.007 48.977 1.00 1.00 C ATOM 946 NE2 HIS A 62 40.345 21.033 49.000 1.00 1.00 N ATOM 0 H HIS A 62 39.544 18.659 43.482 1.00 1.00 H new ATOM 0 HA HIS A 62 37.558 19.753 45.254 1.00 1.00 H new ATOM 0 HB2 HIS A 62 39.051 18.102 46.152 1.00 1.00 H new ATOM 0 HB3 HIS A 62 40.466 18.890 45.485 1.00 1.00 H new ATOM 0 HD2 HIS A 62 41.767 20.141 47.578 1.00 1.00 H new ATOM 0 HE1 HIS A 62 38.382 21.474 49.721 1.00 1.00 H new ATOM 0 HE2 HIS A 62 40.944 21.479 49.694 1.00 1.00 H new ATOM 954 N HIS A 63 40.281 21.574 45.130 1.00 1.00 N ATOM 955 CA HIS A 63 40.775 22.946 45.141 1.00 1.00 C ATOM 956 C HIS A 63 42.296 22.967 45.255 1.00 1.00 C ATOM 957 O HIS A 63 42.845 23.346 46.289 1.00 1.00 O ATOM 958 CB HIS A 63 40.163 23.712 46.315 1.00 1.00 C ATOM 959 CG HIS A 63 40.822 25.058 46.434 1.00 1.00 C ATOM 960 ND1 HIS A 63 41.736 25.348 47.434 1.00 1.00 N ATOM 961 CD2 HIS A 63 40.709 26.205 45.687 1.00 1.00 C ATOM 962 CE1 HIS A 63 42.135 26.622 47.264 1.00 1.00 C ATOM 963 NE2 HIS A 63 41.538 27.191 46.213 1.00 1.00 N ATOM 0 H HIS A 63 40.996 20.863 45.285 1.00 1.00 H new ATOM 0 HA HIS A 63 40.485 23.424 44.205 1.00 1.00 H new ATOM 0 HB2 HIS A 63 39.090 23.833 46.165 1.00 1.00 H new ATOM 0 HB3 HIS A 63 40.294 23.148 47.239 1.00 1.00 H new ATOM 0 HD2 HIS A 63 40.073 26.324 44.822 1.00 1.00 H new ATOM 0 HE1 HIS A 63 42.850 27.123 47.899 1.00 1.00 H new ATOM 0 HE2 HIS A 63 41.663 28.143 45.870 1.00 1.00 H new ATOM 971 N HIS A 64 42.970 22.556 44.186 1.00 1.00 N ATOM 972 CA HIS A 64 44.428 22.531 44.177 1.00 1.00 C ATOM 973 C HIS A 64 44.989 23.836 44.733 1.00 1.00 C ATOM 974 O HIS A 64 44.326 24.850 44.592 1.00 1.00 O ATOM 975 CB HIS A 64 44.939 22.319 42.751 1.00 1.00 C ATOM 976 CG HIS A 64 46.439 22.422 42.736 1.00 1.00 C ATOM 977 ND1 HIS A 64 47.250 21.506 43.386 1.00 1.00 N ATOM 978 CD2 HIS A 64 47.291 23.328 42.152 1.00 1.00 C ATOM 979 CE1 HIS A 64 48.527 21.876 43.181 1.00 1.00 C ATOM 980 NE2 HIS A 64 48.608 22.981 42.435 1.00 1.00 N ATOM 981 OXT HIS A 64 46.074 23.802 45.291 1.00 1.00 O ATOM 0 H HIS A 64 42.534 22.238 43.321 1.00 1.00 H new ATOM 0 HA HIS A 64 44.762 21.707 44.807 1.00 1.00 H new ATOM 0 HB2 HIS A 64 44.627 21.342 42.383 1.00 1.00 H new ATOM 0 HB3 HIS A 64 44.506 23.064 42.083 1.00 1.00 H new ATOM 0 HD2 HIS A 64 46.985 24.180 41.563 1.00 1.00 H new ATOM 0 HE1 HIS A 64 49.382 21.345 43.572 1.00 1.00 H new ATOM 0 HE2 HIS A 64 49.454 23.466 42.137 1.00 1.00 H new TER 989 HIS A 64