USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=15 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 60 HIS : no HD1:sc= -0.382 K(o=-21,f=-23) USER MOD Set 1.2: A 63 HIS : no HD1:sc= -12.4! C(o=-21!,f=-31!) USER MOD Set 1.3: A 64 HIS : no HD1:sc= -8.55! C(o=-21!,f=-24!) USER MOD Set 2.1: A 16 GLN : amide:sc= -6.05! C(o=-5.6!,f=-6.6!) USER MOD Set 2.2: A 17 SER OG : rot 30:sc= 0.443 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN :FLIP amide:sc= -1.29 F(o=-2.7!,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 :FLIP amide:sc= 0.957 F(o=-0.15,f=0.96) USER MOD Single : A 19 CYS SG : rot -50:sc= -0.116 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -15:sc= 1.26 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 135:sc= 0.0426 USER MOD Single : A 27 SER OG : rot 1:sc= 0.83 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 132:sc= -0.446 (180deg=-1.92!) USER MOD Single : A 43 THR OG1 : rot -125:sc= 1.14! USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0173! USER MOD Single : A 46 ASN : amide:sc= -2.35 K(o=-2.3,f=-3.3!) USER MOD Single : A 52 THR OG1 : rot 23:sc= 1.24 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 : no HD1:sc= -0.17 X(o=-0.17,f=-0.18) USER MOD Single : A 61 HIS : no HD1:sc= -0.926 X(o=-0.93,f=-0.51) USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.370 -42.665 8.403 1.00 1.00 N ATOM 2 CA MET A 1 7.025 -42.905 9.832 1.00 1.00 C ATOM 3 C MET A 1 7.574 -41.766 10.684 1.00 1.00 C ATOM 4 O MET A 1 8.771 -41.477 10.653 1.00 1.00 O ATOM 5 CB MET A 1 7.632 -44.235 10.284 1.00 1.00 C ATOM 6 CG MET A 1 6.558 -45.325 10.247 1.00 1.00 C ATOM 7 SD MET A 1 7.289 -46.908 10.734 1.00 1.00 S ATOM 8 CE MET A 1 6.285 -47.961 9.658 1.00 1.00 C ATOM 0 H1 MET A 1 6.996 -43.441 7.821 1.00 1.00 H new ATOM 0 H2 MET A 1 6.951 -41.765 8.091 1.00 1.00 H new ATOM 0 H3 MET A 1 8.404 -42.620 8.298 1.00 1.00 H new ATOM 0 HA MET A 1 5.942 -42.948 9.947 1.00 1.00 H new ATOM 0 HB2 MET A 1 8.464 -44.507 9.634 1.00 1.00 H new ATOM 0 HB3 MET A 1 8.034 -44.139 11.293 1.00 1.00 H new ATOM 0 HG2 MET A 1 5.740 -45.068 10.920 1.00 1.00 H new ATOM 0 HG3 MET A 1 6.135 -45.400 9.245 1.00 1.00 H new ATOM 0 HE1 MET A 1 6.573 -49.003 9.797 1.00 1.00 H new ATOM 0 HE2 MET A 1 5.232 -47.839 9.910 1.00 1.00 H new ATOM 0 HE3 MET A 1 6.445 -47.676 8.618 1.00 1.00 H new ATOM 20 N GLU A 2 6.694 -41.124 11.445 1.00 1.00 N ATOM 21 CA GLU A 2 7.098 -40.019 12.302 1.00 1.00 C ATOM 22 C GLU A 2 6.461 -40.153 13.677 1.00 1.00 C ATOM 23 O GLU A 2 6.194 -41.259 14.148 1.00 1.00 O ATOM 24 CB GLU A 2 6.680 -38.690 11.671 1.00 1.00 C ATOM 25 CG GLU A 2 5.155 -38.561 11.714 1.00 1.00 C ATOM 26 CD GLU A 2 4.653 -37.895 10.438 1.00 1.00 C ATOM 27 OE1 GLU A 2 4.776 -36.685 10.336 1.00 1.00 O ATOM 28 OE2 GLU A 2 4.151 -38.605 9.582 1.00 1.00 O ATOM 0 H GLU A 2 5.700 -41.350 11.485 1.00 1.00 H new ATOM 0 HA GLU A 2 8.182 -40.043 12.411 1.00 1.00 H new ATOM 0 HB2 GLU A 2 7.141 -37.860 12.207 1.00 1.00 H new ATOM 0 HB3 GLU A 2 7.031 -38.638 10.640 1.00 1.00 H new ATOM 0 HG2 GLU A 2 4.701 -39.546 11.823 1.00 1.00 H new ATOM 0 HG3 GLU A 2 4.856 -37.974 12.582 1.00 1.00 H new ATOM 35 N GLU A 3 6.222 -39.017 14.311 1.00 1.00 N ATOM 36 CA GLU A 3 5.614 -39.001 15.637 1.00 1.00 C ATOM 37 C GLU A 3 6.409 -39.876 16.601 1.00 1.00 C ATOM 38 O GLU A 3 5.963 -40.959 16.983 1.00 1.00 O ATOM 39 CB GLU A 3 4.172 -39.505 15.558 1.00 1.00 C ATOM 40 CG GLU A 3 3.239 -38.335 15.239 1.00 1.00 C ATOM 41 CD GLU A 3 2.806 -37.647 16.529 1.00 1.00 C ATOM 42 OE1 GLU A 3 3.677 -37.250 17.286 1.00 1.00 O ATOM 43 OE2 GLU A 3 1.611 -37.528 16.742 1.00 1.00 O ATOM 0 H GLU A 3 6.438 -38.095 13.933 1.00 1.00 H new ATOM 0 HA GLU A 3 5.619 -37.975 16.006 1.00 1.00 H new ATOM 0 HB2 GLU A 3 4.086 -40.273 14.789 1.00 1.00 H new ATOM 0 HB3 GLU A 3 3.884 -39.966 16.503 1.00 1.00 H new ATOM 0 HG2 GLU A 3 3.746 -37.622 14.589 1.00 1.00 H new ATOM 0 HG3 GLU A 3 2.364 -38.694 14.697 1.00 1.00 H new ATOM 50 N GLY A 4 7.587 -39.401 16.990 1.00 1.00 N ATOM 51 CA GLY A 4 8.436 -40.149 17.910 1.00 1.00 C ATOM 52 C GLY A 4 9.847 -39.572 17.940 1.00 1.00 C ATOM 53 O GLY A 4 10.531 -39.633 18.962 1.00 1.00 O ATOM 0 H GLY A 4 7.974 -38.508 16.685 1.00 1.00 H new ATOM 0 HA2 GLY A 4 8.006 -40.122 18.911 1.00 1.00 H new ATOM 0 HA3 GLY A 4 8.473 -41.196 17.608 1.00 1.00 H new ATOM 57 N GLY A 5 10.276 -39.012 16.814 1.00 1.00 N ATOM 58 CA GLY A 5 11.609 -38.426 16.723 1.00 1.00 C ATOM 59 C GLY A 5 11.618 -37.004 17.274 1.00 1.00 C ATOM 60 O GLY A 5 11.025 -36.099 16.689 1.00 1.00 O ATOM 0 H GLY A 5 9.725 -38.951 15.958 1.00 1.00 H new ATOM 0 HA2 GLY A 5 12.319 -39.040 17.278 1.00 1.00 H new ATOM 0 HA3 GLY A 5 11.937 -38.420 15.684 1.00 1.00 H new ATOM 64 N ASP A 6 12.294 -36.817 18.402 1.00 1.00 N ATOM 65 CA ASP A 6 12.373 -35.499 19.024 1.00 1.00 C ATOM 66 C ASP A 6 13.461 -34.659 18.361 1.00 1.00 C ATOM 67 O ASP A 6 14.652 -34.903 18.556 1.00 1.00 O ATOM 68 CB ASP A 6 12.675 -35.643 20.517 1.00 1.00 C ATOM 69 CG ASP A 6 12.784 -34.265 21.161 1.00 1.00 C ATOM 70 OD1 ASP A 6 11.762 -33.611 21.289 1.00 1.00 O ATOM 71 OD2 ASP A 6 13.887 -33.886 21.518 1.00 1.00 O ATOM 0 H ASP A 6 12.792 -37.554 18.902 1.00 1.00 H new ATOM 0 HA ASP A 6 11.413 -34.998 18.895 1.00 1.00 H new ATOM 0 HB2 ASP A 6 11.887 -36.219 21.002 1.00 1.00 H new ATOM 0 HB3 ASP A 6 13.605 -36.194 20.657 1.00 1.00 H new ATOM 76 N PHE A 7 13.043 -33.670 17.579 1.00 1.00 N ATOM 77 CA PHE A 7 13.991 -32.799 16.893 1.00 1.00 C ATOM 78 C PHE A 7 13.350 -31.452 16.578 1.00 1.00 C ATOM 79 O PHE A 7 12.536 -31.339 15.663 1.00 1.00 O ATOM 80 CB PHE A 7 14.461 -33.458 15.595 1.00 1.00 C ATOM 81 CG PHE A 7 15.936 -33.197 15.403 1.00 1.00 C ATOM 82 CD1 PHE A 7 16.878 -33.938 16.125 1.00 1.00 C ATOM 83 CD2 PHE A 7 16.361 -32.215 14.501 1.00 1.00 C ATOM 84 CE1 PHE A 7 18.246 -33.695 15.948 1.00 1.00 C ATOM 85 CE2 PHE A 7 17.728 -31.972 14.323 1.00 1.00 C ATOM 86 CZ PHE A 7 18.671 -32.713 15.046 1.00 1.00 C ATOM 0 H PHE A 7 12.062 -33.452 17.405 1.00 1.00 H new ATOM 0 HA PHE A 7 14.847 -32.637 17.549 1.00 1.00 H new ATOM 0 HB2 PHE A 7 14.272 -34.531 15.630 1.00 1.00 H new ATOM 0 HB3 PHE A 7 13.898 -33.063 14.749 1.00 1.00 H new ATOM 0 HD1 PHE A 7 16.550 -34.698 16.819 1.00 1.00 H new ATOM 0 HD2 PHE A 7 15.634 -31.644 13.942 1.00 1.00 H new ATOM 0 HE1 PHE A 7 18.973 -34.265 16.507 1.00 1.00 H new ATOM 0 HE2 PHE A 7 18.055 -31.213 13.628 1.00 1.00 H new ATOM 0 HZ PHE A 7 19.726 -32.527 14.908 1.00 1.00 H new ATOM 96 N ASP A 8 13.724 -30.431 17.344 1.00 1.00 N ATOM 97 CA ASP A 8 13.178 -29.094 17.138 1.00 1.00 C ATOM 98 C ASP A 8 14.150 -28.035 17.650 1.00 1.00 C ATOM 99 O ASP A 8 13.743 -27.069 18.296 1.00 1.00 O ATOM 100 CB ASP A 8 11.841 -28.959 17.866 1.00 1.00 C ATOM 101 CG ASP A 8 11.073 -27.757 17.326 1.00 1.00 C ATOM 102 OD1 ASP A 8 10.808 -27.733 16.136 1.00 1.00 O ATOM 103 OD2 ASP A 8 10.760 -26.878 18.112 1.00 1.00 O ATOM 0 H ASP A 8 14.397 -30.503 18.107 1.00 1.00 H new ATOM 0 HA ASP A 8 13.025 -28.944 16.069 1.00 1.00 H new ATOM 0 HB2 ASP A 8 11.252 -29.867 17.734 1.00 1.00 H new ATOM 0 HB3 ASP A 8 12.010 -28.842 18.936 1.00 1.00 H new ATOM 108 N ASN A 9 15.432 -28.223 17.358 1.00 1.00 N ATOM 109 CA ASN A 9 16.451 -27.277 17.794 1.00 1.00 C ATOM 110 C ASN A 9 17.553 -27.155 16.746 1.00 1.00 C ATOM 111 O ASN A 9 18.739 -27.145 17.077 1.00 1.00 O ATOM 112 CB ASN A 9 17.056 -27.736 19.122 1.00 1.00 C ATOM 113 CG ASN A 9 15.960 -27.878 20.173 1.00 1.00 C ATOM 114 OD1 ASN A 9 15.156 -28.905 20.128 1.00 1.00 O flip ATOM 115 ND2 ASN A 9 15.832 -27.030 21.056 1.00 1.00 N flip ATOM 0 H ASN A 9 15.788 -29.016 16.825 1.00 1.00 H new ATOM 0 HA ASN A 9 15.982 -26.302 17.926 1.00 1.00 H new ATOM 0 HB2 ASN A 9 17.568 -28.689 18.988 1.00 1.00 H new ATOM 0 HB3 ASN A 9 17.803 -27.017 19.459 1.00 1.00 H new ATOM 0 HD21 ASN A 9 16.462 -26.228 21.088 1.00 1.00 H new ATOM 0 HD22 ASN A 9 15.096 -27.129 21.755 1.00 1.00 H new ATOM 122 N TYR A 10 17.153 -27.062 15.483 1.00 1.00 N ATOM 123 CA TYR A 10 18.117 -26.940 14.393 1.00 1.00 C ATOM 124 C TYR A 10 19.021 -25.732 14.610 1.00 1.00 C ATOM 125 O TYR A 10 20.244 -25.862 14.661 1.00 1.00 O ATOM 126 CB TYR A 10 17.382 -26.797 13.059 1.00 1.00 C ATOM 127 CG TYR A 10 18.151 -25.861 12.159 1.00 1.00 C ATOM 128 CD1 TYR A 10 19.272 -26.326 11.461 1.00 1.00 C ATOM 129 CD2 TYR A 10 17.743 -24.529 12.021 1.00 1.00 C ATOM 130 CE1 TYR A 10 19.986 -25.458 10.625 1.00 1.00 C ATOM 131 CE2 TYR A 10 18.457 -23.661 11.186 1.00 1.00 C ATOM 132 CZ TYR A 10 19.578 -24.126 10.488 1.00 1.00 C ATOM 133 OH TYR A 10 20.281 -23.270 9.664 1.00 1.00 O ATOM 0 H TYR A 10 16.176 -27.068 15.189 1.00 1.00 H new ATOM 0 HA TYR A 10 18.731 -27.840 14.374 1.00 1.00 H new ATOM 0 HB2 TYR A 10 17.277 -27.772 12.583 1.00 1.00 H new ATOM 0 HB3 TYR A 10 16.375 -26.414 13.225 1.00 1.00 H new ATOM 0 HD1 TYR A 10 19.586 -27.354 11.567 1.00 1.00 H new ATOM 0 HD2 TYR A 10 16.877 -24.171 12.559 1.00 1.00 H new ATOM 0 HE1 TYR A 10 20.851 -25.816 10.086 1.00 1.00 H new ATOM 0 HE2 TYR A 10 18.143 -22.633 11.080 1.00 1.00 H new ATOM 0 HH TYR A 10 19.864 -22.383 9.682 1.00 1.00 H new ATOM 143 N TYR A 11 18.412 -24.558 14.738 1.00 1.00 N ATOM 144 CA TYR A 11 19.173 -23.332 14.949 1.00 1.00 C ATOM 145 C TYR A 11 20.038 -23.448 16.200 1.00 1.00 C ATOM 146 O TYR A 11 20.029 -24.473 16.880 1.00 1.00 O ATOM 147 CB TYR A 11 18.221 -22.144 15.092 1.00 1.00 C ATOM 148 CG TYR A 11 17.218 -22.430 16.184 1.00 1.00 C ATOM 149 CD1 TYR A 11 17.570 -22.239 17.525 1.00 1.00 C ATOM 150 CD2 TYR A 11 15.937 -22.890 15.856 1.00 1.00 C ATOM 151 CE1 TYR A 11 16.640 -22.505 18.537 1.00 1.00 C ATOM 152 CE2 TYR A 11 15.007 -23.157 16.867 1.00 1.00 C ATOM 153 CZ TYR A 11 15.359 -22.964 18.209 1.00 1.00 C ATOM 154 OH TYR A 11 14.443 -23.226 19.206 1.00 1.00 O ATOM 0 H TYR A 11 17.401 -24.430 14.700 1.00 1.00 H new ATOM 0 HA TYR A 11 19.821 -23.175 14.086 1.00 1.00 H new ATOM 0 HB2 TYR A 11 18.783 -21.240 15.328 1.00 1.00 H new ATOM 0 HB3 TYR A 11 17.706 -21.962 14.149 1.00 1.00 H new ATOM 0 HD1 TYR A 11 18.559 -21.887 17.779 1.00 1.00 H new ATOM 0 HD2 TYR A 11 15.666 -23.039 14.821 1.00 1.00 H new ATOM 0 HE1 TYR A 11 16.911 -22.356 19.572 1.00 1.00 H new ATOM 0 HE2 TYR A 11 14.019 -23.511 16.613 1.00 1.00 H new ATOM 0 HH TYR A 11 13.604 -23.535 18.806 1.00 1.00 H new ATOM 164 N GLY A 12 20.785 -22.389 16.497 1.00 1.00 N ATOM 165 CA GLY A 12 21.652 -22.382 17.669 1.00 1.00 C ATOM 166 C GLY A 12 22.182 -20.980 17.947 1.00 1.00 C ATOM 167 O GLY A 12 23.040 -20.475 17.223 1.00 1.00 O ATOM 0 H GLY A 12 20.807 -21.531 15.946 1.00 1.00 H new ATOM 0 HA2 GLY A 12 21.100 -22.745 18.536 1.00 1.00 H new ATOM 0 HA3 GLY A 12 22.486 -23.066 17.513 1.00 1.00 H new ATOM 171 N ALA A 13 21.665 -20.355 19.000 1.00 1.00 N ATOM 172 CA ALA A 13 22.093 -19.010 19.365 1.00 1.00 C ATOM 173 C ALA A 13 23.435 -19.054 20.091 1.00 1.00 C ATOM 174 O ALA A 13 23.594 -18.459 21.156 1.00 1.00 O ATOM 175 CB ALA A 13 21.046 -18.354 20.265 1.00 1.00 C ATOM 0 H ALA A 13 20.954 -20.755 19.612 1.00 1.00 H new ATOM 0 HA ALA A 13 22.204 -18.425 18.452 1.00 1.00 H new ATOM 0 HB1 ALA A 13 21.374 -17.350 20.533 1.00 1.00 H new ATOM 0 HB2 ALA A 13 20.095 -18.296 19.735 1.00 1.00 H new ATOM 0 HB3 ALA A 13 20.921 -18.948 21.170 1.00 1.00 H new ATOM 181 N ASP A 14 24.396 -19.762 19.506 1.00 1.00 N ATOM 182 CA ASP A 14 25.720 -19.876 20.107 1.00 1.00 C ATOM 183 C ASP A 14 26.704 -18.939 19.415 1.00 1.00 C ATOM 184 O ASP A 14 27.843 -19.313 19.137 1.00 1.00 O ATOM 185 CB ASP A 14 26.221 -21.317 19.996 1.00 1.00 C ATOM 186 CG ASP A 14 26.060 -21.817 18.564 1.00 1.00 C ATOM 187 OD1 ASP A 14 25.926 -20.988 17.680 1.00 1.00 O ATOM 188 OD2 ASP A 14 26.071 -23.023 18.374 1.00 1.00 O ATOM 0 H ASP A 14 24.285 -20.262 18.624 1.00 1.00 H new ATOM 0 HA ASP A 14 25.647 -19.597 21.158 1.00 1.00 H new ATOM 0 HB2 ASP A 14 27.268 -21.370 20.293 1.00 1.00 H new ATOM 0 HB3 ASP A 14 25.663 -21.958 20.679 1.00 1.00 H new ATOM 193 N ASN A 15 26.258 -17.718 19.140 1.00 1.00 N ATOM 194 CA ASN A 15 27.108 -16.734 18.480 1.00 1.00 C ATOM 195 C ASN A 15 26.715 -15.320 18.897 1.00 1.00 C ATOM 196 O ASN A 15 26.462 -14.462 18.051 1.00 1.00 O ATOM 197 CB ASN A 15 26.986 -16.873 16.962 1.00 1.00 C ATOM 198 CG ASN A 15 28.216 -16.278 16.284 1.00 1.00 C ATOM 199 OD1 ASN A 15 29.042 -17.062 15.646 1.00 1.00 O flip ATOM 200 ND2 ASN A 15 28.431 -15.067 16.337 1.00 1.00 N flip ATOM 0 H ASN A 15 25.319 -17.387 19.362 1.00 1.00 H new ATOM 0 HA ASN A 15 28.140 -16.915 18.779 1.00 1.00 H new ATOM 0 HB2 ASN A 15 26.884 -17.924 16.692 1.00 1.00 H new ATOM 0 HB3 ASN A 15 26.087 -16.365 16.613 1.00 1.00 H new ATOM 0 HD21 ASN A 15 27.785 -14.456 16.836 1.00 1.00 H new ATOM 0 HD22 ASN A 15 29.255 -14.675 15.882 1.00 1.00 H new ATOM 207 N GLN A 16 26.666 -15.086 20.204 1.00 1.00 N ATOM 208 CA GLN A 16 26.302 -13.772 20.721 1.00 1.00 C ATOM 209 C GLN A 16 27.491 -12.819 20.646 1.00 1.00 C ATOM 210 O GLN A 16 27.478 -11.746 21.251 1.00 1.00 O ATOM 211 CB GLN A 16 25.831 -13.893 22.172 1.00 1.00 C ATOM 212 CG GLN A 16 27.044 -14.024 23.097 1.00 1.00 C ATOM 213 CD GLN A 16 28.075 -14.962 22.478 1.00 1.00 C ATOM 214 OE1 GLN A 16 29.123 -14.514 22.013 1.00 1.00 O ATOM 215 NE2 GLN A 16 27.838 -16.245 22.441 1.00 1.00 N ATOM 0 H GLN A 16 26.872 -15.783 20.920 1.00 1.00 H new ATOM 0 HA GLN A 16 25.492 -13.373 20.110 1.00 1.00 H new ATOM 0 HB2 GLN A 16 25.243 -13.018 22.448 1.00 1.00 H new ATOM 0 HB3 GLN A 16 25.181 -14.761 22.283 1.00 1.00 H new ATOM 0 HG2 GLN A 16 27.489 -13.044 23.268 1.00 1.00 H new ATOM 0 HG3 GLN A 16 26.731 -14.405 24.069 1.00 1.00 H new ATOM 0 HE21 GLN A 16 26.969 -16.614 22.827 1.00 1.00 H new ATOM 0 HE22 GLN A 16 28.522 -16.878 22.026 1.00 1.00 H new ATOM 224 N SER A 17 28.516 -13.217 19.901 1.00 1.00 N ATOM 225 CA SER A 17 29.709 -12.389 19.754 1.00 1.00 C ATOM 226 C SER A 17 29.421 -11.191 18.856 1.00 1.00 C ATOM 227 O SER A 17 29.656 -11.237 17.648 1.00 1.00 O ATOM 228 CB SER A 17 30.847 -13.215 19.156 1.00 1.00 C ATOM 229 OG SER A 17 31.443 -14.003 20.179 1.00 1.00 O ATOM 0 H SER A 17 28.546 -14.101 19.393 1.00 1.00 H new ATOM 0 HA SER A 17 30.002 -12.028 20.740 1.00 1.00 H new ATOM 0 HB2 SER A 17 30.467 -13.857 18.361 1.00 1.00 H new ATOM 0 HB3 SER A 17 31.592 -12.558 18.707 1.00 1.00 H new ATOM 0 HG SER A 17 30.771 -14.220 20.858 1.00 1.00 H new ATOM 235 N GLU A 18 28.912 -10.118 19.453 1.00 1.00 N ATOM 236 CA GLU A 18 28.596 -8.912 18.696 1.00 1.00 C ATOM 237 C GLU A 18 29.797 -7.972 18.662 1.00 1.00 C ATOM 238 O GLU A 18 29.714 -6.827 19.109 1.00 1.00 O ATOM 239 CB GLU A 18 27.402 -8.195 19.330 1.00 1.00 C ATOM 240 CG GLU A 18 26.815 -7.197 18.330 1.00 1.00 C ATOM 241 CD GLU A 18 26.430 -5.907 19.046 1.00 1.00 C ATOM 242 OE1 GLU A 18 27.325 -5.142 19.368 1.00 1.00 O ATOM 243 OE2 GLU A 18 25.246 -5.703 19.261 1.00 1.00 O ATOM 0 H GLU A 18 28.711 -10.059 20.451 1.00 1.00 H new ATOM 0 HA GLU A 18 28.345 -9.201 17.675 1.00 1.00 H new ATOM 0 HB2 GLU A 18 26.643 -8.920 19.624 1.00 1.00 H new ATOM 0 HB3 GLU A 18 27.715 -7.676 20.236 1.00 1.00 H new ATOM 0 HG2 GLU A 18 27.542 -6.985 17.546 1.00 1.00 H new ATOM 0 HG3 GLU A 18 25.940 -7.628 17.844 1.00 1.00 H new ATOM 250 N CYS A 19 30.911 -8.462 18.129 1.00 1.00 N ATOM 251 CA CYS A 19 32.122 -7.655 18.040 1.00 1.00 C ATOM 252 C CYS A 19 32.802 -7.855 16.690 1.00 1.00 C ATOM 253 O CYS A 19 33.941 -7.434 16.489 1.00 1.00 O ATOM 254 CB CYS A 19 33.089 -8.043 19.161 1.00 1.00 C ATOM 255 SG CYS A 19 34.255 -6.687 19.447 1.00 1.00 S ATOM 0 H CYS A 19 31.001 -9.407 17.755 1.00 1.00 H new ATOM 0 HA CYS A 19 31.846 -6.606 18.143 1.00 1.00 H new ATOM 0 HB2 CYS A 19 32.536 -8.260 20.075 1.00 1.00 H new ATOM 0 HB3 CYS A 19 33.629 -8.951 18.892 1.00 1.00 H new ATOM 0 HG CYS A 19 34.776 -6.316 18.315 1.00 1.00 H new ATOM 261 N GLU A 20 32.095 -8.498 15.766 1.00 1.00 N ATOM 262 CA GLU A 20 32.639 -8.748 14.436 1.00 1.00 C ATOM 263 C GLU A 20 32.071 -7.753 13.429 1.00 1.00 C ATOM 264 O GLU A 20 32.782 -7.274 12.546 1.00 1.00 O ATOM 265 CB GLU A 20 32.303 -10.173 13.993 1.00 1.00 C ATOM 266 CG GLU A 20 33.521 -10.794 13.305 1.00 1.00 C ATOM 267 CD GLU A 20 33.173 -12.184 12.784 1.00 1.00 C ATOM 268 OE1 GLU A 20 32.595 -12.267 11.713 1.00 1.00 O ATOM 269 OE2 GLU A 20 33.489 -13.146 13.466 1.00 1.00 O ATOM 0 H GLU A 20 31.150 -8.853 15.912 1.00 1.00 H new ATOM 0 HA GLU A 20 33.721 -8.627 14.479 1.00 1.00 H new ATOM 0 HB2 GLU A 20 32.013 -10.774 14.855 1.00 1.00 H new ATOM 0 HB3 GLU A 20 31.453 -10.162 13.311 1.00 1.00 H new ATOM 0 HG2 GLU A 20 33.847 -10.159 12.481 1.00 1.00 H new ATOM 0 HG3 GLU A 20 34.353 -10.857 14.007 1.00 1.00 H new ATOM 276 N TYR A 21 30.786 -7.447 13.569 1.00 1.00 N ATOM 277 CA TYR A 21 30.132 -6.508 12.665 1.00 1.00 C ATOM 278 C TYR A 21 30.560 -5.077 12.976 1.00 1.00 C ATOM 279 O TYR A 21 30.226 -4.146 12.245 1.00 1.00 O ATOM 280 CB TYR A 21 28.612 -6.627 12.797 1.00 1.00 C ATOM 281 CG TYR A 21 28.073 -5.422 13.531 1.00 1.00 C ATOM 282 CD1 TYR A 21 28.170 -5.350 14.925 1.00 1.00 C ATOM 283 CD2 TYR A 21 27.476 -4.378 12.816 1.00 1.00 C ATOM 284 CE1 TYR A 21 27.671 -4.233 15.605 1.00 1.00 C ATOM 285 CE2 TYR A 21 26.977 -3.260 13.495 1.00 1.00 C ATOM 286 CZ TYR A 21 27.074 -3.188 14.890 1.00 1.00 C ATOM 287 OH TYR A 21 26.581 -2.086 15.560 1.00 1.00 O ATOM 0 H TYR A 21 30.180 -7.832 14.294 1.00 1.00 H new ATOM 0 HA TYR A 21 30.428 -6.751 11.644 1.00 1.00 H new ATOM 0 HB2 TYR A 21 28.155 -6.699 11.810 1.00 1.00 H new ATOM 0 HB3 TYR A 21 28.354 -7.539 13.335 1.00 1.00 H new ATOM 0 HD1 TYR A 21 28.630 -6.157 15.476 1.00 1.00 H new ATOM 0 HD2 TYR A 21 27.400 -4.435 11.740 1.00 1.00 H new ATOM 0 HE1 TYR A 21 27.747 -4.177 16.681 1.00 1.00 H new ATOM 0 HE2 TYR A 21 26.517 -2.453 12.943 1.00 1.00 H new ATOM 0 HH TYR A 21 26.201 -1.454 14.915 1.00 1.00 H new ATOM 297 N THR A 22 31.304 -4.912 14.065 1.00 1.00 N ATOM 298 CA THR A 22 31.774 -3.590 14.464 1.00 1.00 C ATOM 299 C THR A 22 33.239 -3.406 14.081 1.00 1.00 C ATOM 300 O THR A 22 33.710 -2.281 13.909 1.00 1.00 O ATOM 301 CB THR A 22 31.614 -3.412 15.975 1.00 1.00 C ATOM 302 OG1 THR A 22 30.327 -3.868 16.370 1.00 1.00 O ATOM 303 CG2 THR A 22 31.766 -1.934 16.337 1.00 1.00 C ATOM 0 H THR A 22 31.593 -5.671 14.683 1.00 1.00 H new ATOM 0 HA THR A 22 31.176 -2.840 13.945 1.00 1.00 H new ATOM 0 HB THR A 22 32.380 -3.990 16.492 1.00 1.00 H new ATOM 0 HG1 THR A 22 29.756 -3.961 15.579 1.00 1.00 H new ATOM 0 HG21 THR A 22 31.652 -1.810 17.414 1.00 1.00 H new ATOM 0 HG22 THR A 22 32.753 -1.585 16.034 1.00 1.00 H new ATOM 0 HG23 THR A 22 31.002 -1.353 15.821 1.00 1.00 H new ATOM 311 N ASP A 23 33.955 -4.518 13.949 1.00 1.00 N ATOM 312 CA ASP A 23 35.367 -4.468 13.585 1.00 1.00 C ATOM 313 C ASP A 23 35.542 -4.696 12.086 1.00 1.00 C ATOM 314 O ASP A 23 36.579 -5.187 11.641 1.00 1.00 O ATOM 315 CB ASP A 23 36.143 -5.533 14.359 1.00 1.00 C ATOM 316 CG ASP A 23 37.633 -5.421 14.051 1.00 1.00 C ATOM 317 OD1 ASP A 23 38.014 -4.454 13.413 1.00 1.00 O ATOM 318 OD2 ASP A 23 38.370 -6.305 14.456 1.00 1.00 O ATOM 0 H ASP A 23 33.585 -5.458 14.087 1.00 1.00 H new ATOM 0 HA ASP A 23 35.754 -3.481 13.838 1.00 1.00 H new ATOM 0 HB2 ASP A 23 35.974 -5.412 15.429 1.00 1.00 H new ATOM 0 HB3 ASP A 23 35.781 -6.525 14.090 1.00 1.00 H new ATOM 323 N TRP A 24 34.522 -4.335 11.315 1.00 1.00 N ATOM 324 CA TRP A 24 34.573 -4.505 9.868 1.00 1.00 C ATOM 325 C TRP A 24 35.679 -3.640 9.263 1.00 1.00 C ATOM 326 O TRP A 24 36.859 -3.981 9.346 1.00 1.00 O ATOM 327 CB TRP A 24 33.218 -4.141 9.249 1.00 1.00 C ATOM 328 CG TRP A 24 32.589 -3.023 10.021 1.00 1.00 C ATOM 329 CD1 TRP A 24 33.261 -2.069 10.705 1.00 1.00 C ATOM 330 CD2 TRP A 24 31.172 -2.731 10.198 1.00 1.00 C ATOM 331 NE1 TRP A 24 32.348 -1.210 11.290 1.00 1.00 N ATOM 332 CE2 TRP A 24 31.047 -1.576 11.006 1.00 1.00 C ATOM 333 CE3 TRP A 24 29.995 -3.350 9.739 1.00 1.00 C ATOM 334 CZ2 TRP A 24 29.799 -1.054 11.347 1.00 1.00 C ATOM 335 CZ3 TRP A 24 28.737 -2.827 10.081 1.00 1.00 C ATOM 336 CH2 TRP A 24 28.639 -1.681 10.884 1.00 1.00 C ATOM 0 H TRP A 24 33.656 -3.926 11.665 1.00 1.00 H new ATOM 0 HA TRP A 24 34.795 -5.549 9.649 1.00 1.00 H new ATOM 0 HB2 TRP A 24 33.351 -3.846 8.208 1.00 1.00 H new ATOM 0 HB3 TRP A 24 32.561 -5.011 9.252 1.00 1.00 H new ATOM 0 HD1 TRP A 24 34.335 -1.991 10.782 1.00 1.00 H new ATOM 0 HE1 TRP A 24 32.604 -0.405 11.861 1.00 1.00 H new ATOM 0 HE3 TRP A 24 30.059 -4.233 9.120 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 29.730 -0.171 11.965 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 27.840 -3.310 9.724 1.00 1.00 H new ATOM 0 HH2 TRP A 24 27.669 -1.284 11.144 1.00 1.00 H new ATOM 347 N LYS A 25 35.294 -2.522 8.655 1.00 1.00 N ATOM 348 CA LYS A 25 36.266 -1.623 8.043 1.00 1.00 C ATOM 349 C LYS A 25 36.649 -0.509 9.011 1.00 1.00 C ATOM 350 O LYS A 25 36.596 0.672 8.666 1.00 1.00 O ATOM 351 CB LYS A 25 35.685 -1.017 6.766 1.00 1.00 C ATOM 352 CG LYS A 25 34.315 -0.409 7.065 1.00 1.00 C ATOM 353 CD LYS A 25 34.297 1.050 6.611 1.00 1.00 C ATOM 354 CE LYS A 25 32.940 1.673 6.944 1.00 1.00 C ATOM 355 NZ LYS A 25 33.011 3.150 6.755 1.00 1.00 N ATOM 0 H LYS A 25 34.324 -2.219 8.573 1.00 1.00 H new ATOM 0 HA LYS A 25 37.160 -2.197 7.797 1.00 1.00 H new ATOM 0 HB2 LYS A 25 36.356 -0.252 6.376 1.00 1.00 H new ATOM 0 HB3 LYS A 25 35.594 -1.783 5.996 1.00 1.00 H new ATOM 0 HG2 LYS A 25 33.535 -0.971 6.551 1.00 1.00 H new ATOM 0 HG3 LYS A 25 34.102 -0.472 8.132 1.00 1.00 H new ATOM 0 HD2 LYS A 25 35.095 1.605 7.105 1.00 1.00 H new ATOM 0 HD3 LYS A 25 34.483 1.110 5.539 1.00 1.00 H new ATOM 0 HE2 LYS A 25 32.167 1.250 6.303 1.00 1.00 H new ATOM 0 HE3 LYS A 25 32.664 1.440 7.972 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 32.089 3.574 6.981 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 33.738 3.546 7.385 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 33.256 3.362 5.767 1.00 1.00 H new ATOM 369 N SER A 26 37.036 -0.894 10.221 1.00 1.00 N ATOM 370 CA SER A 26 37.429 0.078 11.235 1.00 1.00 C ATOM 371 C SER A 26 38.947 0.125 11.374 1.00 1.00 C ATOM 372 O SER A 26 39.597 1.046 10.880 1.00 1.00 O ATOM 373 CB SER A 26 36.803 -0.290 12.580 1.00 1.00 C ATOM 374 OG SER A 26 35.453 0.154 12.608 1.00 1.00 O ATOM 0 H SER A 26 37.086 -1.867 10.523 1.00 1.00 H new ATOM 0 HA SER A 26 37.074 1.061 10.926 1.00 1.00 H new ATOM 0 HB2 SER A 26 36.846 -1.369 12.731 1.00 1.00 H new ATOM 0 HB3 SER A 26 37.365 0.169 13.393 1.00 1.00 H new ATOM 0 HG SER A 26 34.884 -0.553 12.976 1.00 1.00 H new ATOM 380 N SER A 27 39.505 -0.875 12.050 1.00 1.00 N ATOM 381 CA SER A 27 40.949 -0.937 12.249 1.00 1.00 C ATOM 382 C SER A 27 41.347 -2.269 12.876 1.00 1.00 C ATOM 383 O SER A 27 42.368 -2.365 13.557 1.00 1.00 O ATOM 384 CB SER A 27 41.401 0.209 13.154 1.00 1.00 C ATOM 385 OG SER A 27 41.408 1.420 12.410 1.00 1.00 O ATOM 0 H SER A 27 38.984 -1.647 12.466 1.00 1.00 H new ATOM 0 HA SER A 27 41.434 -0.846 11.277 1.00 1.00 H new ATOM 0 HB2 SER A 27 40.731 0.298 14.009 1.00 1.00 H new ATOM 0 HB3 SER A 27 42.396 0.005 13.548 1.00 1.00 H new ATOM 0 HG SER A 27 41.104 1.244 11.495 1.00 1.00 H new ATOM 391 N GLY A 28 40.535 -3.295 12.643 1.00 1.00 N ATOM 392 CA GLY A 28 40.813 -4.617 13.191 1.00 1.00 C ATOM 393 C GLY A 28 40.690 -4.611 14.711 1.00 1.00 C ATOM 394 O GLY A 28 41.254 -5.467 15.393 1.00 1.00 O ATOM 0 H GLY A 28 39.685 -3.237 12.082 1.00 1.00 H new ATOM 0 HA2 GLY A 28 40.119 -5.344 12.769 1.00 1.00 H new ATOM 0 HA3 GLY A 28 41.817 -4.931 12.904 1.00 1.00 H new ATOM 398 N ALA A 29 39.947 -3.641 15.235 1.00 1.00 N ATOM 399 CA ALA A 29 39.755 -3.534 16.677 1.00 1.00 C ATOM 400 C ALA A 29 41.075 -3.757 17.411 1.00 1.00 C ATOM 401 O ALA A 29 41.416 -4.886 17.763 1.00 1.00 O ATOM 402 CB ALA A 29 38.728 -4.565 17.145 1.00 1.00 C ATOM 0 H ALA A 29 39.472 -2.923 14.688 1.00 1.00 H new ATOM 0 HA ALA A 29 39.391 -2.532 16.903 1.00 1.00 H new ATOM 0 HB1 ALA A 29 38.591 -4.478 18.223 1.00 1.00 H new ATOM 0 HB2 ALA A 29 37.778 -4.386 16.642 1.00 1.00 H new ATOM 0 HB3 ALA A 29 39.083 -5.567 16.904 1.00 1.00 H new ATOM 408 N LEU A 30 41.811 -2.674 17.636 1.00 1.00 N ATOM 409 CA LEU A 30 43.092 -2.763 18.327 1.00 1.00 C ATOM 410 C LEU A 30 43.553 -1.377 18.777 1.00 1.00 C ATOM 411 O LEU A 30 44.744 -1.078 18.784 1.00 1.00 O ATOM 412 CB LEU A 30 44.140 -3.399 17.402 1.00 1.00 C ATOM 413 CG LEU A 30 43.889 -2.967 15.955 1.00 1.00 C ATOM 414 CD1 LEU A 30 43.882 -1.439 15.863 1.00 1.00 C ATOM 415 CD2 LEU A 30 45.001 -3.522 15.061 1.00 1.00 C ATOM 0 H LEU A 30 41.545 -1.731 17.352 1.00 1.00 H new ATOM 0 HA LEU A 30 42.973 -3.389 19.211 1.00 1.00 H new ATOM 0 HB2 LEU A 30 45.141 -3.099 17.712 1.00 1.00 H new ATOM 0 HB3 LEU A 30 44.095 -4.485 17.479 1.00 1.00 H new ATOM 0 HG LEU A 30 42.924 -3.352 15.627 1.00 1.00 H new ATOM 0 HD11 LEU A 30 43.703 -1.137 14.831 1.00 1.00 H new ATOM 0 HD12 LEU A 30 43.093 -1.040 16.500 1.00 1.00 H new ATOM 0 HD13 LEU A 30 44.845 -1.050 16.193 1.00 1.00 H new ATOM 0 HD21 LEU A 30 44.825 -3.216 14.030 1.00 1.00 H new ATOM 0 HD22 LEU A 30 45.964 -3.135 15.395 1.00 1.00 H new ATOM 0 HD23 LEU A 30 45.007 -4.610 15.121 1.00 1.00 H new ATOM 427 N ILE A 31 42.588 -0.542 19.161 1.00 1.00 N ATOM 428 CA ILE A 31 42.871 0.819 19.628 1.00 1.00 C ATOM 429 C ILE A 31 41.565 1.595 19.816 1.00 1.00 C ATOM 430 O ILE A 31 41.421 2.342 20.784 1.00 1.00 O ATOM 431 CB ILE A 31 43.811 1.566 18.646 1.00 1.00 C ATOM 432 CG1 ILE A 31 45.173 1.808 19.325 1.00 1.00 C ATOM 433 CG2 ILE A 31 43.223 2.925 18.210 1.00 1.00 C ATOM 434 CD1 ILE A 31 45.020 2.767 20.514 1.00 1.00 C ATOM 0 H ILE A 31 41.597 -0.784 19.158 1.00 1.00 H new ATOM 0 HA ILE A 31 43.381 0.749 20.589 1.00 1.00 H new ATOM 0 HB ILE A 31 43.927 0.943 17.759 1.00 1.00 H new ATOM 0 HG12 ILE A 31 45.589 0.860 19.666 1.00 1.00 H new ATOM 0 HG13 ILE A 31 45.877 2.224 18.604 1.00 1.00 H new ATOM 0 HG21 ILE A 31 43.912 3.416 17.523 1.00 1.00 H new ATOM 0 HG22 ILE A 31 42.267 2.765 17.712 1.00 1.00 H new ATOM 0 HG23 ILE A 31 43.075 3.555 19.087 1.00 1.00 H new ATOM 0 HD11 ILE A 31 45.992 2.926 20.981 1.00 1.00 H new ATOM 0 HD12 ILE A 31 44.626 3.721 20.164 1.00 1.00 H new ATOM 0 HD13 ILE A 31 44.334 2.336 21.243 1.00 1.00 H new ATOM 446 N PRO A 32 40.617 1.447 18.918 1.00 1.00 N ATOM 447 CA PRO A 32 39.312 2.167 19.008 1.00 1.00 C ATOM 448 C PRO A 32 38.481 1.696 20.200 1.00 1.00 C ATOM 449 O PRO A 32 37.724 2.471 20.784 1.00 1.00 O ATOM 450 CB PRO A 32 38.603 1.841 17.684 1.00 1.00 C ATOM 451 CG PRO A 32 39.644 1.236 16.798 1.00 1.00 C ATOM 452 CD PRO A 32 40.667 0.590 17.723 1.00 1.00 C ATOM 0 HA PRO A 32 39.452 3.237 19.159 1.00 1.00 H new ATOM 0 HB2 PRO A 32 37.776 1.149 17.844 1.00 1.00 H new ATOM 0 HB3 PRO A 32 38.183 2.741 17.234 1.00 1.00 H new ATOM 0 HG2 PRO A 32 39.204 0.497 16.128 1.00 1.00 H new ATOM 0 HG3 PRO A 32 40.111 1.996 16.171 1.00 1.00 H new ATOM 0 HD2 PRO A 32 40.406 -0.443 17.955 1.00 1.00 H new ATOM 0 HD3 PRO A 32 41.662 0.575 17.278 1.00 1.00 H new ATOM 460 N ALA A 33 38.631 0.425 20.557 1.00 1.00 N ATOM 461 CA ALA A 33 37.889 -0.133 21.682 1.00 1.00 C ATOM 462 C ALA A 33 38.316 0.536 22.984 1.00 1.00 C ATOM 463 O ALA A 33 37.547 0.599 23.943 1.00 1.00 O ATOM 464 CB ALA A 33 38.134 -1.639 21.778 1.00 1.00 C ATOM 0 H ALA A 33 39.254 -0.233 20.089 1.00 1.00 H new ATOM 0 HA ALA A 33 36.827 0.050 21.519 1.00 1.00 H new ATOM 0 HB1 ALA A 33 37.575 -2.045 22.621 1.00 1.00 H new ATOM 0 HB2 ALA A 33 37.804 -2.121 20.858 1.00 1.00 H new ATOM 0 HB3 ALA A 33 39.198 -1.826 21.924 1.00 1.00 H new ATOM 470 N ILE A 34 39.547 1.035 23.010 1.00 1.00 N ATOM 471 CA ILE A 34 40.065 1.701 24.199 1.00 1.00 C ATOM 472 C ILE A 34 39.577 3.144 24.251 1.00 1.00 C ATOM 473 O ILE A 34 39.481 3.739 25.325 1.00 1.00 O ATOM 474 CB ILE A 34 41.594 1.675 24.190 1.00 1.00 C ATOM 475 CG1 ILE A 34 42.082 0.276 24.575 1.00 1.00 C ATOM 476 CG2 ILE A 34 42.128 2.695 25.196 1.00 1.00 C ATOM 477 CD1 ILE A 34 43.524 0.089 24.101 1.00 1.00 C ATOM 0 H ILE A 34 40.200 0.992 22.228 1.00 1.00 H new ATOM 0 HA ILE A 34 39.702 1.172 25.080 1.00 1.00 H new ATOM 0 HB ILE A 34 41.956 1.925 23.193 1.00 1.00 H new ATOM 0 HG12 ILE A 34 42.023 0.144 25.655 1.00 1.00 H new ATOM 0 HG13 ILE A 34 41.439 -0.481 24.126 1.00 1.00 H new ATOM 0 HG21 ILE A 34 43.218 2.676 25.189 1.00 1.00 H new ATOM 0 HG22 ILE A 34 41.781 3.691 24.923 1.00 1.00 H new ATOM 0 HG23 ILE A 34 41.767 2.445 26.194 1.00 1.00 H new ATOM 0 HD11 ILE A 34 43.871 -0.907 24.375 1.00 1.00 H new ATOM 0 HD12 ILE A 34 43.569 0.203 23.018 1.00 1.00 H new ATOM 0 HD13 ILE A 34 44.162 0.838 24.571 1.00 1.00 H new ATOM 489 N TYR A 35 39.269 3.698 23.084 1.00 1.00 N ATOM 490 CA TYR A 35 38.787 5.072 23.004 1.00 1.00 C ATOM 491 C TYR A 35 37.372 5.172 23.561 1.00 1.00 C ATOM 492 O TYR A 35 37.064 6.071 24.344 1.00 1.00 O ATOM 493 CB TYR A 35 38.800 5.544 21.549 1.00 1.00 C ATOM 494 CG TYR A 35 39.689 6.758 21.421 1.00 1.00 C ATOM 495 CD1 TYR A 35 39.264 7.993 21.922 1.00 1.00 C ATOM 496 CD2 TYR A 35 40.940 6.646 20.802 1.00 1.00 C ATOM 497 CE1 TYR A 35 40.089 9.119 21.802 1.00 1.00 C ATOM 498 CE2 TYR A 35 41.765 7.771 20.682 1.00 1.00 C ATOM 499 CZ TYR A 35 41.339 9.007 21.183 1.00 1.00 C ATOM 500 OH TYR A 35 42.152 10.116 21.065 1.00 1.00 O ATOM 0 H TYR A 35 39.344 3.221 22.186 1.00 1.00 H new ATOM 0 HA TYR A 35 39.446 5.707 23.597 1.00 1.00 H new ATOM 0 HB2 TYR A 35 39.161 4.746 20.900 1.00 1.00 H new ATOM 0 HB3 TYR A 35 37.788 5.786 21.225 1.00 1.00 H new ATOM 0 HD1 TYR A 35 38.300 8.078 22.401 1.00 1.00 H new ATOM 0 HD2 TYR A 35 41.269 5.692 20.417 1.00 1.00 H new ATOM 0 HE1 TYR A 35 39.760 10.073 22.187 1.00 1.00 H new ATOM 0 HE2 TYR A 35 42.729 7.685 20.203 1.00 1.00 H new ATOM 0 HH TYR A 35 42.984 9.865 20.612 1.00 1.00 H new ATOM 510 N MET A 36 36.516 4.241 23.154 1.00 1.00 N ATOM 511 CA MET A 36 35.135 4.231 23.620 1.00 1.00 C ATOM 512 C MET A 36 35.077 3.880 25.102 1.00 1.00 C ATOM 513 O MET A 36 34.231 4.388 25.839 1.00 1.00 O ATOM 514 CB MET A 36 34.320 3.214 22.818 1.00 1.00 C ATOM 515 CG MET A 36 34.924 1.820 22.996 1.00 1.00 C ATOM 516 SD MET A 36 34.044 0.635 21.945 1.00 1.00 S ATOM 517 CE MET A 36 34.529 1.322 20.342 1.00 1.00 C ATOM 0 H MET A 36 36.752 3.489 22.507 1.00 1.00 H new ATOM 0 HA MET A 36 34.713 5.226 23.476 1.00 1.00 H new ATOM 0 HB2 MET A 36 33.283 3.218 23.153 1.00 1.00 H new ATOM 0 HB3 MET A 36 34.315 3.487 21.763 1.00 1.00 H new ATOM 0 HG2 MET A 36 35.982 1.836 22.736 1.00 1.00 H new ATOM 0 HG3 MET A 36 34.857 1.515 24.040 1.00 1.00 H new ATOM 0 HE1 MET A 36 34.880 0.519 19.693 1.00 1.00 H new ATOM 0 HE2 MET A 36 33.671 1.812 19.881 1.00 1.00 H new ATOM 0 HE3 MET A 36 35.328 2.049 20.485 1.00 1.00 H new ATOM 527 N LEU A 37 35.984 3.009 25.531 1.00 1.00 N ATOM 528 CA LEU A 37 36.033 2.595 26.928 1.00 1.00 C ATOM 529 C LEU A 37 36.114 3.818 27.839 1.00 1.00 C ATOM 530 O LEU A 37 35.724 3.763 29.005 1.00 1.00 O ATOM 531 CB LEU A 37 37.249 1.690 27.158 1.00 1.00 C ATOM 532 CG LEU A 37 37.235 1.135 28.590 1.00 1.00 C ATOM 533 CD1 LEU A 37 36.010 0.238 28.798 1.00 1.00 C ATOM 534 CD2 LEU A 37 38.505 0.314 28.823 1.00 1.00 C ATOM 0 H LEU A 37 36.691 2.578 24.935 1.00 1.00 H new ATOM 0 HA LEU A 37 35.124 2.042 27.165 1.00 1.00 H new ATOM 0 HB2 LEU A 37 37.240 0.868 26.442 1.00 1.00 H new ATOM 0 HB3 LEU A 37 38.167 2.252 26.987 1.00 1.00 H new ATOM 0 HG LEU A 37 37.192 1.966 29.294 1.00 1.00 H new ATOM 0 HD11 LEU A 37 36.011 -0.149 29.817 1.00 1.00 H new ATOM 0 HD12 LEU A 37 35.102 0.818 28.631 1.00 1.00 H new ATOM 0 HD13 LEU A 37 36.044 -0.593 28.094 1.00 1.00 H new ATOM 0 HD21 LEU A 37 38.501 -0.083 29.838 1.00 1.00 H new ATOM 0 HD22 LEU A 37 38.541 -0.511 28.111 1.00 1.00 H new ATOM 0 HD23 LEU A 37 39.380 0.950 28.686 1.00 1.00 H new ATOM 546 N VAL A 38 36.621 4.920 27.294 1.00 1.00 N ATOM 547 CA VAL A 38 36.749 6.153 28.062 1.00 1.00 C ATOM 548 C VAL A 38 35.648 7.138 27.681 1.00 1.00 C ATOM 549 O VAL A 38 35.539 8.218 28.263 1.00 1.00 O ATOM 550 CB VAL A 38 38.116 6.789 27.804 1.00 1.00 C ATOM 551 CG1 VAL A 38 38.249 8.072 28.625 1.00 1.00 C ATOM 552 CG2 VAL A 38 39.219 5.808 28.210 1.00 1.00 C ATOM 0 H VAL A 38 36.948 4.984 26.330 1.00 1.00 H new ATOM 0 HA VAL A 38 36.655 5.911 29.121 1.00 1.00 H new ATOM 0 HB VAL A 38 38.210 7.026 26.744 1.00 1.00 H new ATOM 0 HG11 VAL A 38 39.224 8.523 28.440 1.00 1.00 H new ATOM 0 HG12 VAL A 38 37.464 8.772 28.337 1.00 1.00 H new ATOM 0 HG13 VAL A 38 38.154 7.837 29.685 1.00 1.00 H new ATOM 0 HG21 VAL A 38 40.194 6.260 28.027 1.00 1.00 H new ATOM 0 HG22 VAL A 38 39.123 5.570 29.269 1.00 1.00 H new ATOM 0 HG23 VAL A 38 39.127 4.894 27.623 1.00 1.00 H new ATOM 562 N PHE A 39 34.836 6.758 26.700 1.00 1.00 N ATOM 563 CA PHE A 39 33.746 7.617 26.247 1.00 1.00 C ATOM 564 C PHE A 39 32.492 7.377 27.081 1.00 1.00 C ATOM 565 O PHE A 39 31.438 7.954 26.811 1.00 1.00 O ATOM 566 CB PHE A 39 33.441 7.339 24.774 1.00 1.00 C ATOM 567 CG PHE A 39 32.422 8.333 24.271 1.00 1.00 C ATOM 568 CD1 PHE A 39 32.754 9.690 24.185 1.00 1.00 C ATOM 569 CD2 PHE A 39 31.146 7.899 23.891 1.00 1.00 C ATOM 570 CE1 PHE A 39 31.810 10.613 23.719 1.00 1.00 C ATOM 571 CE2 PHE A 39 30.203 8.822 23.424 1.00 1.00 C ATOM 572 CZ PHE A 39 30.535 10.180 23.338 1.00 1.00 C ATOM 0 H PHE A 39 34.910 5.868 26.206 1.00 1.00 H new ATOM 0 HA PHE A 39 34.054 8.656 26.365 1.00 1.00 H new ATOM 0 HB2 PHE A 39 34.355 7.409 24.184 1.00 1.00 H new ATOM 0 HB3 PHE A 39 33.062 6.324 24.656 1.00 1.00 H new ATOM 0 HD1 PHE A 39 33.738 10.025 24.478 1.00 1.00 H new ATOM 0 HD2 PHE A 39 30.889 6.852 23.958 1.00 1.00 H new ATOM 0 HE1 PHE A 39 32.066 11.660 23.654 1.00 1.00 H new ATOM 0 HE2 PHE A 39 29.219 8.487 23.130 1.00 1.00 H new ATOM 0 HZ PHE A 39 29.808 10.892 22.978 1.00 1.00 H new ATOM 582 N LEU A 40 32.615 6.523 28.094 1.00 1.00 N ATOM 583 CA LEU A 40 31.488 6.208 28.968 1.00 1.00 C ATOM 584 C LEU A 40 31.826 6.537 30.418 1.00 1.00 C ATOM 585 O LEU A 40 30.935 6.740 31.242 1.00 1.00 O ATOM 586 CB LEU A 40 31.137 4.724 28.849 1.00 1.00 C ATOM 587 CG LEU A 40 32.339 3.878 29.272 1.00 1.00 C ATOM 588 CD1 LEU A 40 32.095 3.305 30.670 1.00 1.00 C ATOM 589 CD2 LEU A 40 32.529 2.731 28.278 1.00 1.00 C ATOM 0 H LEU A 40 33.481 6.038 28.330 1.00 1.00 H new ATOM 0 HA LEU A 40 30.633 6.811 28.661 1.00 1.00 H new ATOM 0 HB2 LEU A 40 30.277 4.492 29.477 1.00 1.00 H new ATOM 0 HB3 LEU A 40 30.856 4.487 27.823 1.00 1.00 H new ATOM 0 HG LEU A 40 33.234 4.500 29.286 1.00 1.00 H new ATOM 0 HD11 LEU A 40 32.952 2.702 30.971 1.00 1.00 H new ATOM 0 HD12 LEU A 40 31.959 4.121 31.379 1.00 1.00 H new ATOM 0 HD13 LEU A 40 31.200 2.683 30.657 1.00 1.00 H new ATOM 0 HD21 LEU A 40 33.385 2.127 28.578 1.00 1.00 H new ATOM 0 HD22 LEU A 40 31.634 2.109 28.264 1.00 1.00 H new ATOM 0 HD23 LEU A 40 32.703 3.138 27.282 1.00 1.00 H new ATOM 601 N LEU A 41 33.119 6.588 30.722 1.00 1.00 N ATOM 602 CA LEU A 41 33.566 6.893 32.075 1.00 1.00 C ATOM 603 C LEU A 41 32.723 8.011 32.681 1.00 1.00 C ATOM 604 O LEU A 41 32.459 8.021 33.883 1.00 1.00 O ATOM 605 CB LEU A 41 35.037 7.313 32.056 1.00 1.00 C ATOM 606 CG LEU A 41 35.908 6.147 32.525 1.00 1.00 C ATOM 607 CD1 LEU A 41 35.679 4.938 31.615 1.00 1.00 C ATOM 608 CD2 LEU A 41 37.382 6.557 32.465 1.00 1.00 C ATOM 0 H LEU A 41 33.871 6.423 30.053 1.00 1.00 H new ATOM 0 HA LEU A 41 33.451 5.997 32.685 1.00 1.00 H new ATOM 0 HB2 LEU A 41 35.327 7.615 31.050 1.00 1.00 H new ATOM 0 HB3 LEU A 41 35.188 8.177 32.704 1.00 1.00 H new ATOM 0 HG LEU A 41 35.643 5.885 33.549 1.00 1.00 H new ATOM 0 HD11 LEU A 41 36.300 4.107 31.950 1.00 1.00 H new ATOM 0 HD12 LEU A 41 34.630 4.646 31.656 1.00 1.00 H new ATOM 0 HD13 LEU A 41 35.944 5.199 30.590 1.00 1.00 H new ATOM 0 HD21 LEU A 41 38.004 5.727 32.799 1.00 1.00 H new ATOM 0 HD22 LEU A 41 37.645 6.819 31.440 1.00 1.00 H new ATOM 0 HD23 LEU A 41 37.547 7.418 33.113 1.00 1.00 H new ATOM 620 N GLY A 42 32.304 8.953 31.841 1.00 1.00 N ATOM 621 CA GLY A 42 31.492 10.070 32.307 1.00 1.00 C ATOM 622 C GLY A 42 31.450 11.186 31.269 1.00 1.00 C ATOM 623 O GLY A 42 31.805 12.328 31.559 1.00 1.00 O ATOM 0 H GLY A 42 32.512 8.965 30.842 1.00 1.00 H new ATOM 0 HA2 GLY A 42 30.479 9.725 32.517 1.00 1.00 H new ATOM 0 HA3 GLY A 42 31.898 10.454 33.243 1.00 1.00 H new ATOM 627 N THR A 43 31.012 10.848 30.061 1.00 1.00 N ATOM 628 CA THR A 43 30.928 11.831 28.987 1.00 1.00 C ATOM 629 C THR A 43 29.485 12.293 28.797 1.00 1.00 C ATOM 630 O THR A 43 28.976 13.101 29.573 1.00 1.00 O ATOM 631 CB THR A 43 31.448 11.225 27.681 1.00 1.00 C ATOM 632 OG1 THR A 43 30.631 10.124 27.314 1.00 1.00 O ATOM 633 CG2 THR A 43 32.889 10.751 27.874 1.00 1.00 C ATOM 0 H THR A 43 30.712 9.908 29.802 1.00 1.00 H new ATOM 0 HA THR A 43 31.541 12.691 29.257 1.00 1.00 H new ATOM 0 HB THR A 43 31.419 11.978 26.894 1.00 1.00 H new ATOM 0 HG1 THR A 43 31.191 9.330 27.186 1.00 1.00 H new ATOM 0 HG21 THR A 43 33.258 10.320 26.943 1.00 1.00 H new ATOM 0 HG22 THR A 43 33.516 11.597 28.155 1.00 1.00 H new ATOM 0 HG23 THR A 43 32.922 9.998 28.661 1.00 1.00 H new ATOM 641 N THR A 44 28.834 11.773 27.761 1.00 1.00 N ATOM 642 CA THR A 44 27.451 12.139 27.480 1.00 1.00 C ATOM 643 C THR A 44 26.641 12.208 28.770 1.00 1.00 C ATOM 644 O THR A 44 26.302 13.293 29.244 1.00 1.00 O ATOM 645 CB THR A 44 26.821 11.112 26.535 1.00 1.00 C ATOM 646 OG1 THR A 44 26.802 9.841 27.167 1.00 1.00 O ATOM 647 CG2 THR A 44 27.641 11.031 25.247 1.00 1.00 C ATOM 0 H THR A 44 29.238 11.102 27.107 1.00 1.00 H new ATOM 0 HA THR A 44 27.444 13.121 27.008 1.00 1.00 H new ATOM 0 HB THR A 44 25.802 11.415 26.295 1.00 1.00 H new ATOM 0 HG1 THR A 44 26.398 9.182 26.565 1.00 1.00 H new ATOM 0 HG21 THR A 44 27.192 10.300 24.575 1.00 1.00 H new ATOM 0 HG22 THR A 44 27.656 12.008 24.763 1.00 1.00 H new ATOM 0 HG23 THR A 44 28.661 10.728 25.483 1.00 1.00 H new ATOM 655 N GLY A 45 26.333 11.045 29.333 1.00 1.00 N ATOM 656 CA GLY A 45 25.562 10.983 30.569 1.00 1.00 C ATOM 657 C GLY A 45 26.158 9.964 31.533 1.00 1.00 C ATOM 658 O GLY A 45 26.745 10.330 32.553 1.00 1.00 O ATOM 0 H GLY A 45 26.604 10.137 28.956 1.00 1.00 H new ATOM 0 HA2 GLY A 45 25.542 11.966 31.039 1.00 1.00 H new ATOM 0 HA3 GLY A 45 24.529 10.716 30.345 1.00 1.00 H new ATOM 662 N ASN A 46 26.004 8.686 31.206 1.00 1.00 N ATOM 663 CA ASN A 46 26.533 7.622 32.052 1.00 1.00 C ATOM 664 C ASN A 46 26.278 7.932 33.524 1.00 1.00 C ATOM 665 O ASN A 46 27.107 8.553 34.189 1.00 1.00 O ATOM 666 CB ASN A 46 28.036 7.464 31.814 1.00 1.00 C ATOM 667 CG ASN A 46 28.280 6.638 30.555 1.00 1.00 C ATOM 668 OD1 ASN A 46 28.446 5.421 30.634 1.00 1.00 O ATOM 669 ND2 ASN A 46 28.314 7.231 29.394 1.00 1.00 N ATOM 0 H ASN A 46 25.521 8.363 30.368 1.00 1.00 H new ATOM 0 HA ASN A 46 26.026 6.692 31.795 1.00 1.00 H new ATOM 0 HB2 ASN A 46 28.502 8.444 31.712 1.00 1.00 H new ATOM 0 HB3 ASN A 46 28.500 6.979 32.673 1.00 1.00 H new ATOM 0 HD21 ASN A 46 28.479 6.686 28.548 1.00 1.00 H new ATOM 0 HD22 ASN A 46 28.176 8.240 29.332 1.00 1.00 H new ATOM 676 N GLY A 47 25.128 7.495 34.025 1.00 1.00 N ATOM 677 CA GLY A 47 24.776 7.731 35.420 1.00 1.00 C ATOM 678 C GLY A 47 23.314 7.384 35.680 1.00 1.00 C ATOM 679 O GLY A 47 23.009 6.483 36.461 1.00 1.00 O ATOM 0 H GLY A 47 24.429 6.979 33.491 1.00 1.00 H new ATOM 0 HA2 GLY A 47 25.417 7.132 36.067 1.00 1.00 H new ATOM 0 HA3 GLY A 47 24.956 8.776 35.673 1.00 1.00 H new ATOM 683 N LEU A 48 22.413 8.104 35.019 1.00 1.00 N ATOM 684 CA LEU A 48 20.985 7.862 35.185 1.00 1.00 C ATOM 685 C LEU A 48 20.271 7.924 33.839 1.00 1.00 C ATOM 686 O LEU A 48 19.061 7.710 33.757 1.00 1.00 O ATOM 687 CB LEU A 48 20.386 8.903 36.132 1.00 1.00 C ATOM 688 CG LEU A 48 19.122 8.338 36.781 1.00 1.00 C ATOM 689 CD1 LEU A 48 19.497 7.591 38.062 1.00 1.00 C ATOM 690 CD2 LEU A 48 18.167 9.484 37.120 1.00 1.00 C ATOM 0 H LEU A 48 22.644 8.854 34.368 1.00 1.00 H new ATOM 0 HA LEU A 48 20.851 6.867 35.608 1.00 1.00 H new ATOM 0 HB2 LEU A 48 21.112 9.172 36.899 1.00 1.00 H new ATOM 0 HB3 LEU A 48 20.149 9.815 35.584 1.00 1.00 H new ATOM 0 HG LEU A 48 18.634 7.651 36.089 1.00 1.00 H new ATOM 0 HD11 LEU A 48 18.596 7.188 38.525 1.00 1.00 H new ATOM 0 HD12 LEU A 48 20.178 6.774 37.821 1.00 1.00 H new ATOM 0 HD13 LEU A 48 19.985 8.278 38.754 1.00 1.00 H new ATOM 0 HD21 LEU A 48 17.266 9.082 37.583 1.00 1.00 H new ATOM 0 HD22 LEU A 48 18.654 10.171 37.812 1.00 1.00 H new ATOM 0 HD23 LEU A 48 17.900 10.017 36.207 1.00 1.00 H new ATOM 702 N VAL A 49 21.027 8.218 32.786 1.00 1.00 N ATOM 703 CA VAL A 49 20.455 8.306 31.448 1.00 1.00 C ATOM 704 C VAL A 49 20.175 6.914 30.893 1.00 1.00 C ATOM 705 O VAL A 49 19.175 6.698 30.208 1.00 1.00 O ATOM 706 CB VAL A 49 21.419 9.044 30.517 1.00 1.00 C ATOM 707 CG1 VAL A 49 20.716 9.349 29.192 1.00 1.00 C ATOM 708 CG2 VAL A 49 21.857 10.355 31.173 1.00 1.00 C ATOM 0 H VAL A 49 22.030 8.398 32.833 1.00 1.00 H new ATOM 0 HA VAL A 49 19.516 8.856 31.509 1.00 1.00 H new ATOM 0 HB VAL A 49 22.293 8.420 30.330 1.00 1.00 H new ATOM 0 HG11 VAL A 49 21.403 9.875 28.528 1.00 1.00 H new ATOM 0 HG12 VAL A 49 20.402 8.416 28.724 1.00 1.00 H new ATOM 0 HG13 VAL A 49 19.842 9.973 29.379 1.00 1.00 H new ATOM 0 HG21 VAL A 49 22.544 10.882 30.510 1.00 1.00 H new ATOM 0 HG22 VAL A 49 20.983 10.979 31.359 1.00 1.00 H new ATOM 0 HG23 VAL A 49 22.357 10.140 32.117 1.00 1.00 H new ATOM 718 N LEU A 50 21.063 5.972 31.195 1.00 1.00 N ATOM 719 CA LEU A 50 20.898 4.603 30.719 1.00 1.00 C ATOM 720 C LEU A 50 19.835 3.879 31.539 1.00 1.00 C ATOM 721 O LEU A 50 19.378 2.798 31.166 1.00 1.00 O ATOM 722 CB LEU A 50 22.223 3.829 30.808 1.00 1.00 C ATOM 723 CG LEU A 50 23.272 4.636 31.584 1.00 1.00 C ATOM 724 CD1 LEU A 50 22.819 4.823 33.036 1.00 1.00 C ATOM 725 CD2 LEU A 50 24.600 3.876 31.567 1.00 1.00 C ATOM 0 H LEU A 50 21.897 6.129 31.762 1.00 1.00 H new ATOM 0 HA LEU A 50 20.583 4.648 29.676 1.00 1.00 H new ATOM 0 HB2 LEU A 50 22.058 2.870 31.300 1.00 1.00 H new ATOM 0 HB3 LEU A 50 22.592 3.613 29.805 1.00 1.00 H new ATOM 0 HG LEU A 50 23.393 5.613 31.117 1.00 1.00 H new ATOM 0 HD11 LEU A 50 23.569 5.397 33.580 1.00 1.00 H new ATOM 0 HD12 LEU A 50 21.869 5.357 33.055 1.00 1.00 H new ATOM 0 HD13 LEU A 50 22.696 3.848 33.507 1.00 1.00 H new ATOM 0 HD21 LEU A 50 25.351 4.443 32.117 1.00 1.00 H new ATOM 0 HD22 LEU A 50 24.467 2.901 32.035 1.00 1.00 H new ATOM 0 HD23 LEU A 50 24.929 3.742 30.537 1.00 1.00 H new ATOM 737 N TRP A 51 19.444 4.483 32.657 1.00 1.00 N ATOM 738 CA TRP A 51 18.433 3.888 33.522 1.00 1.00 C ATOM 739 C TRP A 51 17.069 3.897 32.838 1.00 1.00 C ATOM 740 O TRP A 51 16.331 2.913 32.891 1.00 1.00 O ATOM 741 CB TRP A 51 18.349 4.661 34.839 1.00 1.00 C ATOM 742 CG TRP A 51 16.922 5.001 35.127 1.00 1.00 C ATOM 743 CD1 TRP A 51 16.258 6.062 34.614 1.00 1.00 C ATOM 744 CD2 TRP A 51 15.974 4.298 35.981 1.00 1.00 C ATOM 745 NE1 TRP A 51 14.963 6.056 35.101 1.00 1.00 N ATOM 746 CE2 TRP A 51 14.739 4.988 35.947 1.00 1.00 C ATOM 747 CE3 TRP A 51 16.066 3.141 36.776 1.00 1.00 C ATOM 748 CZ2 TRP A 51 13.634 4.546 36.674 1.00 1.00 C ATOM 749 CZ3 TRP A 51 14.955 2.692 37.509 1.00 1.00 C ATOM 750 CH2 TRP A 51 13.742 3.394 37.459 1.00 1.00 C ATOM 0 H TRP A 51 19.809 5.378 32.983 1.00 1.00 H new ATOM 0 HA TRP A 51 18.719 2.856 33.725 1.00 1.00 H new ATOM 0 HB2 TRP A 51 18.763 4.063 35.651 1.00 1.00 H new ATOM 0 HB3 TRP A 51 18.946 5.571 34.778 1.00 1.00 H new ATOM 0 HD1 TRP A 51 16.671 6.794 33.936 1.00 1.00 H new ATOM 0 HE1 TRP A 51 14.259 6.755 34.864 1.00 1.00 H new ATOM 0 HE3 TRP A 51 16.996 2.595 36.823 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 12.702 5.090 36.631 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 15.035 1.801 38.114 1.00 1.00 H new ATOM 0 HH2 TRP A 51 12.892 3.045 38.026 1.00 1.00 H new ATOM 761 N THR A 52 16.743 5.013 32.196 1.00 1.00 N ATOM 762 CA THR A 52 15.465 5.140 31.505 1.00 1.00 C ATOM 763 C THR A 52 15.408 4.200 30.305 1.00 1.00 C ATOM 764 O THR A 52 14.405 3.522 30.083 1.00 1.00 O ATOM 765 CB THR A 52 15.267 6.583 31.035 1.00 1.00 C ATOM 766 OG1 THR A 52 14.869 7.388 32.136 1.00 1.00 O ATOM 767 CG2 THR A 52 14.187 6.625 29.953 1.00 1.00 C ATOM 0 H THR A 52 17.341 5.837 32.139 1.00 1.00 H new ATOM 0 HA THR A 52 14.669 4.871 32.200 1.00 1.00 H new ATOM 0 HB THR A 52 16.203 6.964 30.626 1.00 1.00 H new ATOM 0 HG1 THR A 52 15.157 6.965 32.972 1.00 1.00 H new ATOM 0 HG21 THR A 52 14.047 7.653 29.619 1.00 1.00 H new ATOM 0 HG22 THR A 52 14.494 6.008 29.109 1.00 1.00 H new ATOM 0 HG23 THR A 52 13.250 6.244 30.359 1.00 1.00 H new ATOM 775 N VAL A 53 16.491 4.164 29.536 1.00 1.00 N ATOM 776 CA VAL A 53 16.552 3.302 28.361 1.00 1.00 C ATOM 777 C VAL A 53 16.355 1.843 28.756 1.00 1.00 C ATOM 778 O VAL A 53 15.607 1.110 28.109 1.00 1.00 O ATOM 779 CB VAL A 53 17.903 3.466 27.664 1.00 1.00 C ATOM 780 CG1 VAL A 53 17.877 2.730 26.323 1.00 1.00 C ATOM 781 CG2 VAL A 53 18.174 4.953 27.422 1.00 1.00 C ATOM 0 H VAL A 53 17.332 4.717 29.703 1.00 1.00 H new ATOM 0 HA VAL A 53 15.753 3.592 27.678 1.00 1.00 H new ATOM 0 HB VAL A 53 18.690 3.050 28.293 1.00 1.00 H new ATOM 0 HG11 VAL A 53 18.840 2.846 25.825 1.00 1.00 H new ATOM 0 HG12 VAL A 53 17.682 1.671 26.493 1.00 1.00 H new ATOM 0 HG13 VAL A 53 17.091 3.147 25.694 1.00 1.00 H new ATOM 0 HG21 VAL A 53 19.137 5.071 26.925 1.00 1.00 H new ATOM 0 HG22 VAL A 53 17.387 5.368 26.792 1.00 1.00 H new ATOM 0 HG23 VAL A 53 18.191 5.480 28.376 1.00 1.00 H new ATOM 791 N PHE A 54 17.031 1.428 29.822 1.00 1.00 N ATOM 792 CA PHE A 54 16.923 0.053 30.295 1.00 1.00 C ATOM 793 C PHE A 54 15.466 -0.311 30.562 1.00 1.00 C ATOM 794 O PHE A 54 15.042 -1.439 30.305 1.00 1.00 O ATOM 795 CB PHE A 54 17.738 -0.121 31.579 1.00 1.00 C ATOM 796 CG PHE A 54 18.476 -1.438 31.533 1.00 1.00 C ATOM 797 CD1 PHE A 54 17.770 -2.640 31.655 1.00 1.00 C ATOM 798 CD2 PHE A 54 19.866 -1.456 31.369 1.00 1.00 C ATOM 799 CE1 PHE A 54 18.454 -3.861 31.613 1.00 1.00 C ATOM 800 CE2 PHE A 54 20.550 -2.676 31.328 1.00 1.00 C ATOM 801 CZ PHE A 54 19.844 -3.880 31.449 1.00 1.00 C ATOM 0 H PHE A 54 17.655 2.019 30.371 1.00 1.00 H new ATOM 0 HA PHE A 54 17.314 -0.609 29.522 1.00 1.00 H new ATOM 0 HB2 PHE A 54 18.446 0.701 31.687 1.00 1.00 H new ATOM 0 HB3 PHE A 54 17.080 -0.091 32.447 1.00 1.00 H new ATOM 0 HD1 PHE A 54 16.698 -2.626 31.782 1.00 1.00 H new ATOM 0 HD2 PHE A 54 20.411 -0.528 31.274 1.00 1.00 H new ATOM 0 HE1 PHE A 54 17.909 -4.789 31.707 1.00 1.00 H new ATOM 0 HE2 PHE A 54 21.623 -2.689 31.203 1.00 1.00 H new ATOM 0 HZ PHE A 54 20.372 -4.822 31.416 1.00 1.00 H new ATOM 811 N ARG A 55 14.705 0.649 31.074 1.00 1.00 N ATOM 812 CA ARG A 55 13.295 0.417 31.370 1.00 1.00 C ATOM 813 C ARG A 55 12.481 0.361 30.081 1.00 1.00 C ATOM 814 O ARG A 55 11.654 -0.533 29.897 1.00 1.00 O ATOM 815 CB ARG A 55 12.759 1.535 32.267 1.00 1.00 C ATOM 816 CG ARG A 55 13.527 1.541 33.590 1.00 1.00 C ATOM 817 CD ARG A 55 12.563 1.245 34.741 1.00 1.00 C ATOM 818 NE ARG A 55 11.962 -0.072 34.570 1.00 1.00 N ATOM 819 CZ ARG A 55 10.934 -0.461 35.316 1.00 1.00 C ATOM 820 NH1 ARG A 55 10.445 0.341 36.222 1.00 1.00 N ATOM 821 NH2 ARG A 55 10.413 -1.646 35.145 1.00 1.00 N ATOM 0 H ARG A 55 15.036 1.589 31.292 1.00 1.00 H new ATOM 0 HA ARG A 55 13.203 -0.538 31.887 1.00 1.00 H new ATOM 0 HB2 ARG A 55 12.865 2.498 31.768 1.00 1.00 H new ATOM 0 HB3 ARG A 55 11.695 1.388 32.453 1.00 1.00 H new ATOM 0 HG2 ARG A 55 14.321 0.794 33.565 1.00 1.00 H new ATOM 0 HG3 ARG A 55 14.004 2.509 33.741 1.00 1.00 H new ATOM 0 HD2 ARG A 55 13.095 1.289 35.691 1.00 1.00 H new ATOM 0 HD3 ARG A 55 11.784 2.006 34.777 1.00 1.00 H new ATOM 0 HE ARG A 55 12.338 -0.706 33.865 1.00 1.00 H new ATOM 0 HH11 ARG A 55 10.852 1.266 36.357 1.00 1.00 H new ATOM 0 HH12 ARG A 55 9.656 0.042 36.795 1.00 1.00 H new ATOM 0 HH21 ARG A 55 10.795 -2.274 34.438 1.00 1.00 H new ATOM 0 HH22 ARG A 55 9.624 -1.944 35.718 1.00 1.00 H new ATOM 835 N LYS A 56 12.721 1.321 29.195 1.00 1.00 N ATOM 836 CA LYS A 56 12.005 1.373 27.925 1.00 1.00 C ATOM 837 C LYS A 56 11.868 -0.025 27.331 1.00 1.00 C ATOM 838 O LYS A 56 10.759 -0.527 27.148 1.00 1.00 O ATOM 839 CB LYS A 56 12.756 2.275 26.942 1.00 1.00 C ATOM 840 CG LYS A 56 11.848 3.421 26.492 1.00 1.00 C ATOM 841 CD LYS A 56 11.556 4.343 27.678 1.00 1.00 C ATOM 842 CE LYS A 56 10.045 4.554 27.802 1.00 1.00 C ATOM 843 NZ LYS A 56 9.773 5.619 28.809 1.00 1.00 N ATOM 0 H LYS A 56 13.401 2.069 29.331 1.00 1.00 H new ATOM 0 HA LYS A 56 11.009 1.779 28.105 1.00 1.00 H new ATOM 0 HB2 LYS A 56 13.654 2.674 27.414 1.00 1.00 H new ATOM 0 HB3 LYS A 56 13.081 1.695 26.078 1.00 1.00 H new ATOM 0 HG2 LYS A 56 12.326 3.984 25.690 1.00 1.00 H new ATOM 0 HG3 LYS A 56 10.916 3.023 26.090 1.00 1.00 H new ATOM 0 HD2 LYS A 56 11.949 3.907 28.596 1.00 1.00 H new ATOM 0 HD3 LYS A 56 12.057 5.301 27.539 1.00 1.00 H new ATOM 0 HE2 LYS A 56 9.626 4.836 26.836 1.00 1.00 H new ATOM 0 HE3 LYS A 56 9.560 3.624 28.100 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 8.746 5.763 28.894 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 10.160 5.332 29.731 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 10.223 6.506 28.506 1.00 1.00 H new ATOM 857 N LYS A 57 13.003 -0.647 27.030 1.00 1.00 N ATOM 858 CA LYS A 57 13.000 -1.987 26.455 1.00 1.00 C ATOM 859 C LYS A 57 12.616 -3.022 27.508 1.00 1.00 C ATOM 860 O LYS A 57 13.213 -4.095 27.583 1.00 1.00 O ATOM 861 CB LYS A 57 14.385 -2.317 25.894 1.00 1.00 C ATOM 862 CG LYS A 57 14.781 -1.266 24.855 1.00 1.00 C ATOM 863 CD LYS A 57 16.185 -0.742 25.166 1.00 1.00 C ATOM 864 CE LYS A 57 16.685 0.105 23.995 1.00 1.00 C ATOM 865 NZ LYS A 57 17.781 -0.618 23.291 1.00 1.00 N ATOM 0 H LYS A 57 13.931 -0.248 27.173 1.00 1.00 H new ATOM 0 HA LYS A 57 12.265 -2.015 25.650 1.00 1.00 H new ATOM 0 HB2 LYS A 57 15.119 -2.341 26.700 1.00 1.00 H new ATOM 0 HB3 LYS A 57 14.378 -3.308 25.440 1.00 1.00 H new ATOM 0 HG2 LYS A 57 14.757 -1.701 23.856 1.00 1.00 H new ATOM 0 HG3 LYS A 57 14.065 -0.444 24.863 1.00 1.00 H new ATOM 0 HD2 LYS A 57 16.168 -0.146 26.079 1.00 1.00 H new ATOM 0 HD3 LYS A 57 16.865 -1.576 25.342 1.00 1.00 H new ATOM 0 HE2 LYS A 57 15.867 0.309 23.304 1.00 1.00 H new ATOM 0 HE3 LYS A 57 17.044 1.069 24.357 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 18.121 -0.042 22.495 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 18.564 -0.791 23.953 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 17.424 -1.527 22.933 1.00 1.00 H new ATOM 879 N GLY A 58 11.617 -2.691 28.319 1.00 1.00 N ATOM 880 CA GLY A 58 11.161 -3.599 29.364 1.00 1.00 C ATOM 881 C GLY A 58 10.862 -4.981 28.793 1.00 1.00 C ATOM 882 O GLY A 58 11.189 -5.999 29.403 1.00 1.00 O ATOM 0 H GLY A 58 11.111 -1.807 28.273 1.00 1.00 H new ATOM 0 HA2 GLY A 58 11.923 -3.679 30.140 1.00 1.00 H new ATOM 0 HA3 GLY A 58 10.266 -3.195 29.837 1.00 1.00 H new ATOM 886 N HIS A 59 10.239 -5.008 27.619 1.00 1.00 N ATOM 887 CA HIS A 59 9.900 -6.272 26.976 1.00 1.00 C ATOM 888 C HIS A 59 11.161 -7.078 26.682 1.00 1.00 C ATOM 889 O HIS A 59 11.264 -8.246 27.057 1.00 1.00 O ATOM 890 CB HIS A 59 9.146 -6.007 25.670 1.00 1.00 C ATOM 891 CG HIS A 59 8.068 -4.987 25.913 1.00 1.00 C ATOM 892 ND1 HIS A 59 8.002 -3.799 25.202 1.00 1.00 N ATOM 893 CD2 HIS A 59 7.007 -4.961 26.785 1.00 1.00 C ATOM 894 CE1 HIS A 59 6.934 -3.115 25.653 1.00 1.00 C ATOM 895 NE2 HIS A 59 6.293 -3.778 26.618 1.00 1.00 N ATOM 0 H HIS A 59 9.961 -4.177 27.098 1.00 1.00 H new ATOM 0 HA HIS A 59 9.266 -6.844 27.653 1.00 1.00 H new ATOM 0 HB2 HIS A 59 9.835 -5.648 24.906 1.00 1.00 H new ATOM 0 HB3 HIS A 59 8.708 -6.932 25.296 1.00 1.00 H new ATOM 0 HD2 HIS A 59 6.764 -5.740 27.492 1.00 1.00 H new ATOM 0 HE1 HIS A 59 6.632 -2.148 25.280 1.00 1.00 H new ATOM 0 HE2 HIS A 59 5.459 -3.481 27.124 1.00 1.00 H new ATOM 903 N HIS A 60 12.118 -6.448 26.007 1.00 1.00 N ATOM 904 CA HIS A 60 13.368 -7.117 25.668 1.00 1.00 C ATOM 905 C HIS A 60 13.099 -8.528 25.156 1.00 1.00 C ATOM 906 O HIS A 60 13.955 -9.407 25.251 1.00 1.00 O ATOM 907 CB HIS A 60 14.275 -7.183 26.899 1.00 1.00 C ATOM 908 CG HIS A 60 15.697 -7.410 26.462 1.00 1.00 C ATOM 909 ND1 HIS A 60 16.483 -8.416 27.002 1.00 1.00 N ATOM 910 CD2 HIS A 60 16.486 -6.770 25.539 1.00 1.00 C ATOM 911 CE1 HIS A 60 17.688 -8.352 26.405 1.00 1.00 C ATOM 912 NE2 HIS A 60 17.743 -7.367 25.505 1.00 1.00 N ATOM 0 H HIS A 60 12.052 -5.482 25.686 1.00 1.00 H new ATOM 0 HA HIS A 60 13.863 -6.546 24.882 1.00 1.00 H new ATOM 0 HB2 HIS A 60 14.202 -6.256 27.468 1.00 1.00 H new ATOM 0 HB3 HIS A 60 13.953 -7.989 27.559 1.00 1.00 H new ATOM 0 HD2 HIS A 60 16.179 -5.931 24.932 1.00 1.00 H new ATOM 0 HE1 HIS A 60 18.510 -9.016 26.627 1.00 1.00 H new ATOM 0 HE2 HIS A 60 18.536 -7.108 24.918 1.00 1.00 H new ATOM 920 N HIS A 61 11.905 -8.737 24.612 1.00 1.00 N ATOM 921 CA HIS A 61 11.534 -10.046 24.086 1.00 1.00 C ATOM 922 C HIS A 61 11.746 -10.098 22.577 1.00 1.00 C ATOM 923 O HIS A 61 11.528 -11.131 21.945 1.00 1.00 O ATOM 924 CB HIS A 61 10.068 -10.341 24.407 1.00 1.00 C ATOM 925 CG HIS A 61 9.250 -10.250 23.149 1.00 1.00 C ATOM 926 ND1 HIS A 61 8.657 -11.361 22.569 1.00 1.00 N ATOM 927 CD2 HIS A 61 8.918 -9.187 22.345 1.00 1.00 C ATOM 928 CE1 HIS A 61 8.005 -10.945 21.468 1.00 1.00 C ATOM 929 NE2 HIS A 61 8.131 -9.628 21.286 1.00 1.00 N ATOM 0 H HIS A 61 11.182 -8.023 24.524 1.00 1.00 H new ATOM 0 HA HIS A 61 12.168 -10.798 24.556 1.00 1.00 H new ATOM 0 HB2 HIS A 61 9.973 -11.335 24.844 1.00 1.00 H new ATOM 0 HB3 HIS A 61 9.697 -9.632 25.147 1.00 1.00 H new ATOM 0 HD2 HIS A 61 9.222 -8.164 22.510 1.00 1.00 H new ATOM 0 HE1 HIS A 61 7.448 -11.597 20.811 1.00 1.00 H new ATOM 0 HE2 HIS A 61 7.735 -9.066 20.532 1.00 1.00 H new ATOM 937 N HIS A 62 12.173 -8.976 22.006 1.00 1.00 N ATOM 938 CA HIS A 62 12.412 -8.905 20.568 1.00 1.00 C ATOM 939 C HIS A 62 13.403 -9.980 20.136 1.00 1.00 C ATOM 940 O HIS A 62 13.125 -10.767 19.231 1.00 1.00 O ATOM 941 CB HIS A 62 12.959 -7.526 20.197 1.00 1.00 C ATOM 942 CG HIS A 62 12.822 -7.313 18.715 1.00 1.00 C ATOM 943 ND1 HIS A 62 13.850 -7.598 17.830 1.00 1.00 N ATOM 944 CD2 HIS A 62 11.785 -6.846 17.947 1.00 1.00 C ATOM 945 CE1 HIS A 62 13.414 -7.302 16.592 1.00 1.00 C ATOM 946 NE2 HIS A 62 12.161 -6.840 16.606 1.00 1.00 N ATOM 0 H HIS A 62 12.359 -8.110 22.512 1.00 1.00 H new ATOM 0 HA HIS A 62 11.466 -9.071 20.053 1.00 1.00 H new ATOM 0 HB2 HIS A 62 12.417 -6.751 20.738 1.00 1.00 H new ATOM 0 HB3 HIS A 62 14.006 -7.447 20.491 1.00 1.00 H new ATOM 0 HD2 HIS A 62 10.824 -6.531 18.325 1.00 1.00 H new ATOM 0 HE1 HIS A 62 14.005 -7.423 15.696 1.00 1.00 H new ATOM 0 HE2 HIS A 62 11.600 -6.546 15.806 1.00 1.00 H new ATOM 954 N HIS A 63 14.562 -10.008 20.789 1.00 1.00 N ATOM 955 CA HIS A 63 15.588 -10.992 20.463 1.00 1.00 C ATOM 956 C HIS A 63 15.038 -12.407 20.608 1.00 1.00 C ATOM 957 O HIS A 63 13.892 -12.600 21.015 1.00 1.00 O ATOM 958 CB HIS A 63 16.794 -10.813 21.387 1.00 1.00 C ATOM 959 CG HIS A 63 16.368 -11.026 22.814 1.00 1.00 C ATOM 960 ND1 HIS A 63 15.651 -12.143 23.213 1.00 1.00 N ATOM 961 CD2 HIS A 63 16.552 -10.274 23.948 1.00 1.00 C ATOM 962 CE1 HIS A 63 15.431 -12.033 24.535 1.00 1.00 C ATOM 963 NE2 HIS A 63 15.960 -10.911 25.034 1.00 1.00 N ATOM 0 H HIS A 63 14.812 -9.366 21.541 1.00 1.00 H new ATOM 0 HA HIS A 63 15.897 -10.839 19.429 1.00 1.00 H new ATOM 0 HB2 HIS A 63 17.578 -11.522 21.121 1.00 1.00 H new ATOM 0 HB3 HIS A 63 17.213 -9.814 21.267 1.00 1.00 H new ATOM 0 HD2 HIS A 63 17.077 -9.331 23.990 1.00 1.00 H new ATOM 0 HE1 HIS A 63 14.893 -12.762 25.122 1.00 1.00 H new ATOM 0 HE2 HIS A 63 15.935 -10.591 26.002 1.00 1.00 H new ATOM 971 N HIS A 64 15.862 -13.394 20.272 1.00 1.00 N ATOM 972 CA HIS A 64 15.447 -14.789 20.368 1.00 1.00 C ATOM 973 C HIS A 64 14.110 -15.001 19.666 1.00 1.00 C ATOM 974 O HIS A 64 13.473 -16.005 19.937 1.00 1.00 O ATOM 975 CB HIS A 64 15.324 -15.196 21.839 1.00 1.00 C ATOM 976 CG HIS A 64 16.508 -14.675 22.604 1.00 1.00 C ATOM 977 ND1 HIS A 64 16.472 -14.473 23.975 1.00 1.00 N ATOM 978 CD2 HIS A 64 17.771 -14.310 22.206 1.00 1.00 C ATOM 979 CE1 HIS A 64 17.677 -14.005 24.349 1.00 1.00 C ATOM 980 NE2 HIS A 64 18.506 -13.888 23.309 1.00 1.00 N ATOM 981 OXT HIS A 64 13.743 -14.155 18.867 1.00 1.00 O ATOM 0 H HIS A 64 16.814 -13.256 19.933 1.00 1.00 H new ATOM 0 HA HIS A 64 16.201 -15.407 19.881 1.00 1.00 H new ATOM 0 HB2 HIS A 64 14.401 -14.798 22.261 1.00 1.00 H new ATOM 0 HB3 HIS A 64 15.272 -16.281 21.924 1.00 1.00 H new ATOM 0 HD2 HIS A 64 18.138 -14.345 21.191 1.00 1.00 H new ATOM 0 HE1 HIS A 64 17.941 -13.755 25.366 1.00 1.00 H new ATOM 0 HE2 HIS A 64 19.472 -13.559 23.321 1.00 1.00 H new TER 989 HIS A 64