USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=17 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -150:sc= -0.124 (180deg=-0.628) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) 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) USER MOD Single : A 16 GLN : amide:sc=-0.000319 K(o=-0.00032,f=-0.62) USER MOD Single : A 17 SER OG : rot -98:sc= 1.17 USER MOD Single : A 19 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0435 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot -48:sc= 1.07! 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 180:sc= 0 (180deg=0) 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 :FLIP amide:sc= -0.763 F(o=-1.9!,f=-0.76) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -163:sc= -0.106 (180deg=-0.782) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS :FLIP no HD1:sc= -0.311 F(o=-1.2,f=-0.31) USER MOD Single : A 60 HIS : no HD1:sc= 0.0189 K(o=0.019,f=-3.8!) USER MOD Single : A 61 HIS : no HD1:sc= -0.0392 X(o=-0.039,f=0) USER MOD Single : A 62 HIS : no HD1:sc= 0.0699 K(o=0.07,f=-4.3!) USER MOD Single : A 63 HIS : no HE2:sc= -0.071 K(o=-0.071,f=-4.2!) USER MOD Single : A 64 HIS : no HD1:sc=-0.000144 X(o=-0.00014,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 60.126 -5.196 -22.372 1.00 1.00 N ATOM 2 CA MET A 1 59.631 -4.164 -21.418 1.00 1.00 C ATOM 3 C MET A 1 60.656 -3.039 -21.313 1.00 1.00 C ATOM 4 O MET A 1 61.579 -3.101 -20.500 1.00 1.00 O ATOM 5 CB MET A 1 59.415 -4.803 -20.045 1.00 1.00 C ATOM 6 CG MET A 1 58.248 -5.789 -20.118 1.00 1.00 C ATOM 7 SD MET A 1 58.574 -7.194 -19.025 1.00 1.00 S ATOM 8 CE MET A 1 57.990 -6.428 -17.492 1.00 1.00 C ATOM 0 H1 MET A 1 59.317 -5.658 -22.834 1.00 1.00 H new ATOM 0 H2 MET A 1 60.725 -4.744 -23.092 1.00 1.00 H new ATOM 0 H3 MET A 1 60.682 -5.907 -21.856 1.00 1.00 H new ATOM 0 HA MET A 1 58.686 -3.756 -21.775 1.00 1.00 H new ATOM 0 HB2 MET A 1 60.321 -5.318 -19.726 1.00 1.00 H new ATOM 0 HB3 MET A 1 59.208 -4.033 -19.302 1.00 1.00 H new ATOM 0 HG2 MET A 1 57.322 -5.295 -19.825 1.00 1.00 H new ATOM 0 HG3 MET A 1 58.115 -6.135 -21.143 1.00 1.00 H new ATOM 0 HE1 MET A 1 58.101 -7.133 -16.668 1.00 1.00 H new ATOM 0 HE2 MET A 1 58.577 -5.533 -17.286 1.00 1.00 H new ATOM 0 HE3 MET A 1 56.940 -6.156 -17.598 1.00 1.00 H new ATOM 20 N GLU A 2 60.487 -2.013 -22.140 1.00 1.00 N ATOM 21 CA GLU A 2 61.404 -0.878 -22.130 1.00 1.00 C ATOM 22 C GLU A 2 62.852 -1.360 -22.128 1.00 1.00 C ATOM 23 O GLU A 2 63.650 -0.951 -21.285 1.00 1.00 O ATOM 24 CB GLU A 2 61.150 -0.011 -20.896 1.00 1.00 C ATOM 25 CG GLU A 2 59.656 -0.013 -20.570 1.00 1.00 C ATOM 26 CD GLU A 2 59.300 1.223 -19.750 1.00 1.00 C ATOM 27 OE1 GLU A 2 60.145 1.669 -18.991 1.00 1.00 O ATOM 28 OE2 GLU A 2 58.188 1.704 -19.891 1.00 1.00 O ATOM 0 H GLU A 2 59.730 -1.943 -22.821 1.00 1.00 H new ATOM 0 HA GLU A 2 61.231 -0.287 -23.029 1.00 1.00 H new ATOM 0 HB2 GLU A 2 61.719 -0.392 -20.048 1.00 1.00 H new ATOM 0 HB3 GLU A 2 61.492 1.008 -21.078 1.00 1.00 H new ATOM 0 HG2 GLU A 2 59.074 -0.028 -21.492 1.00 1.00 H new ATOM 0 HG3 GLU A 2 59.398 -0.915 -20.015 1.00 1.00 H new ATOM 35 N GLU A 3 63.183 -2.230 -23.076 1.00 1.00 N ATOM 36 CA GLU A 3 64.537 -2.761 -23.173 1.00 1.00 C ATOM 37 C GLU A 3 65.547 -1.627 -23.320 1.00 1.00 C ATOM 38 O GLU A 3 65.396 -0.755 -24.174 1.00 1.00 O ATOM 39 CB GLU A 3 64.645 -3.702 -24.374 1.00 1.00 C ATOM 40 CG GLU A 3 63.981 -5.038 -24.038 1.00 1.00 C ATOM 41 CD GLU A 3 64.104 -5.994 -25.220 1.00 1.00 C ATOM 42 OE1 GLU A 3 63.628 -5.648 -26.288 1.00 1.00 O ATOM 43 OE2 GLU A 3 64.674 -7.057 -25.039 1.00 1.00 O ATOM 0 H GLU A 3 62.537 -2.580 -23.783 1.00 1.00 H new ATOM 0 HA GLU A 3 64.757 -3.313 -22.259 1.00 1.00 H new ATOM 0 HB2 GLU A 3 64.165 -3.254 -25.244 1.00 1.00 H new ATOM 0 HB3 GLU A 3 65.692 -3.859 -24.633 1.00 1.00 H new ATOM 0 HG2 GLU A 3 64.450 -5.475 -23.156 1.00 1.00 H new ATOM 0 HG3 GLU A 3 62.930 -4.880 -23.795 1.00 1.00 H new ATOM 50 N GLY A 4 66.577 -1.648 -22.480 1.00 1.00 N ATOM 51 CA GLY A 4 67.607 -0.616 -22.526 1.00 1.00 C ATOM 52 C GLY A 4 68.477 -0.657 -21.274 1.00 1.00 C ATOM 53 O GLY A 4 68.873 0.382 -20.747 1.00 1.00 O ATOM 0 H GLY A 4 66.720 -2.361 -21.765 1.00 1.00 H new ATOM 0 HA2 GLY A 4 68.229 -0.757 -23.410 1.00 1.00 H new ATOM 0 HA3 GLY A 4 67.140 0.365 -22.617 1.00 1.00 H new ATOM 57 N GLY A 5 68.767 -1.865 -20.801 1.00 1.00 N ATOM 58 CA GLY A 5 69.590 -2.029 -19.608 1.00 1.00 C ATOM 59 C GLY A 5 70.957 -1.382 -19.797 1.00 1.00 C ATOM 60 O GLY A 5 71.793 -1.881 -20.550 1.00 1.00 O ATOM 0 H GLY A 5 68.448 -2.738 -21.221 1.00 1.00 H new ATOM 0 HA2 GLY A 5 69.087 -1.582 -18.750 1.00 1.00 H new ATOM 0 HA3 GLY A 5 69.712 -3.090 -19.389 1.00 1.00 H new ATOM 64 N ASP A 6 71.179 -0.268 -19.106 1.00 1.00 N ATOM 65 CA ASP A 6 72.450 0.440 -19.205 1.00 1.00 C ATOM 66 C ASP A 6 72.895 0.542 -20.661 1.00 1.00 C ATOM 67 O ASP A 6 74.085 0.452 -20.964 1.00 1.00 O ATOM 68 CB ASP A 6 73.520 -0.290 -18.392 1.00 1.00 C ATOM 69 CG ASP A 6 74.644 0.672 -18.025 1.00 1.00 C ATOM 70 OD1 ASP A 6 74.524 1.330 -17.005 1.00 1.00 O ATOM 71 OD2 ASP A 6 75.608 0.738 -18.770 1.00 1.00 O ATOM 0 H ASP A 6 70.501 0.161 -18.476 1.00 1.00 H new ATOM 0 HA ASP A 6 72.316 1.446 -18.807 1.00 1.00 H new ATOM 0 HB2 ASP A 6 73.079 -0.708 -17.487 1.00 1.00 H new ATOM 0 HB3 ASP A 6 73.919 -1.125 -18.968 1.00 1.00 H new ATOM 76 N PHE A 7 71.932 0.729 -21.557 1.00 1.00 N ATOM 77 CA PHE A 7 72.236 0.842 -22.979 1.00 1.00 C ATOM 78 C PHE A 7 71.299 1.839 -23.650 1.00 1.00 C ATOM 79 O PHE A 7 71.430 2.126 -24.840 1.00 1.00 O ATOM 80 CB PHE A 7 72.097 -0.526 -23.652 1.00 1.00 C ATOM 81 CG PHE A 7 73.469 -1.108 -23.896 1.00 1.00 C ATOM 82 CD1 PHE A 7 74.244 -0.649 -24.967 1.00 1.00 C ATOM 83 CD2 PHE A 7 73.965 -2.109 -23.051 1.00 1.00 C ATOM 84 CE1 PHE A 7 75.515 -1.190 -25.195 1.00 1.00 C ATOM 85 CE2 PHE A 7 75.236 -2.649 -23.278 1.00 1.00 C ATOM 86 CZ PHE A 7 76.011 -2.190 -24.349 1.00 1.00 C ATOM 0 H PHE A 7 70.941 0.805 -21.327 1.00 1.00 H new ATOM 0 HA PHE A 7 73.261 1.197 -23.086 1.00 1.00 H new ATOM 0 HB2 PHE A 7 71.513 -1.196 -23.021 1.00 1.00 H new ATOM 0 HB3 PHE A 7 71.559 -0.427 -24.595 1.00 1.00 H new ATOM 0 HD1 PHE A 7 73.861 0.123 -25.618 1.00 1.00 H new ATOM 0 HD2 PHE A 7 73.367 -2.464 -22.225 1.00 1.00 H new ATOM 0 HE1 PHE A 7 76.112 -0.837 -26.022 1.00 1.00 H new ATOM 0 HE2 PHE A 7 75.619 -3.420 -22.626 1.00 1.00 H new ATOM 0 HZ PHE A 7 76.992 -2.607 -24.523 1.00 1.00 H new ATOM 96 N ASP A 8 70.351 2.364 -22.880 1.00 1.00 N ATOM 97 CA ASP A 8 69.396 3.328 -23.410 1.00 1.00 C ATOM 98 C ASP A 8 68.693 4.066 -22.276 1.00 1.00 C ATOM 99 O ASP A 8 68.373 3.475 -21.244 1.00 1.00 O ATOM 100 CB ASP A 8 68.361 2.613 -24.277 1.00 1.00 C ATOM 101 CG ASP A 8 68.510 3.044 -25.732 1.00 1.00 C ATOM 102 OD1 ASP A 8 67.936 4.059 -26.090 1.00 1.00 O ATOM 103 OD2 ASP A 8 69.196 2.353 -26.467 1.00 1.00 O ATOM 0 H ASP A 8 70.225 2.139 -21.893 1.00 1.00 H new ATOM 0 HA ASP A 8 69.938 4.053 -24.017 1.00 1.00 H new ATOM 0 HB2 ASP A 8 68.489 1.534 -24.194 1.00 1.00 H new ATOM 0 HB3 ASP A 8 67.356 2.843 -23.922 1.00 1.00 H new ATOM 108 N ASN A 9 68.455 5.358 -22.474 1.00 1.00 N ATOM 109 CA ASN A 9 67.788 6.166 -21.460 1.00 1.00 C ATOM 110 C ASN A 9 66.796 7.127 -22.108 1.00 1.00 C ATOM 111 O ASN A 9 66.222 7.986 -21.439 1.00 1.00 O ATOM 112 CB ASN A 9 68.823 6.960 -20.660 1.00 1.00 C ATOM 113 CG ASN A 9 68.591 6.762 -19.166 1.00 1.00 C ATOM 114 OD1 ASN A 9 67.998 7.619 -18.510 1.00 1.00 O ATOM 115 ND2 ASN A 9 69.025 5.676 -18.586 1.00 1.00 N ATOM 0 H ASN A 9 68.712 5.865 -23.321 1.00 1.00 H new ATOM 0 HA ASN A 9 67.246 5.499 -20.790 1.00 1.00 H new ATOM 0 HB2 ASN A 9 69.829 6.634 -20.927 1.00 1.00 H new ATOM 0 HB3 ASN A 9 68.754 8.019 -20.910 1.00 1.00 H new ATOM 0 HD21 ASN A 9 68.873 5.536 -17.587 1.00 1.00 H new ATOM 0 HD22 ASN A 9 69.516 4.968 -19.132 1.00 1.00 H new ATOM 122 N TYR A 10 66.601 6.976 -23.414 1.00 1.00 N ATOM 123 CA TYR A 10 65.676 7.835 -24.146 1.00 1.00 C ATOM 124 C TYR A 10 66.240 9.247 -24.272 1.00 1.00 C ATOM 125 O TYR A 10 66.115 9.885 -25.318 1.00 1.00 O ATOM 126 CB TYR A 10 64.325 7.883 -23.430 1.00 1.00 C ATOM 127 CG TYR A 10 64.056 6.552 -22.768 1.00 1.00 C ATOM 128 CD1 TYR A 10 64.204 5.366 -23.496 1.00 1.00 C ATOM 129 CD2 TYR A 10 63.658 6.505 -21.426 1.00 1.00 C ATOM 130 CE1 TYR A 10 63.956 4.133 -22.884 1.00 1.00 C ATOM 131 CE2 TYR A 10 63.410 5.272 -20.813 1.00 1.00 C ATOM 132 CZ TYR A 10 63.558 4.086 -21.542 1.00 1.00 C ATOM 133 OH TYR A 10 63.313 2.869 -20.937 1.00 1.00 O ATOM 0 H TYR A 10 67.068 6.271 -23.985 1.00 1.00 H new ATOM 0 HA TYR A 10 65.540 7.420 -25.145 1.00 1.00 H new ATOM 0 HB2 TYR A 10 64.325 8.678 -22.684 1.00 1.00 H new ATOM 0 HB3 TYR A 10 63.532 8.113 -24.142 1.00 1.00 H new ATOM 0 HD1 TYR A 10 64.510 5.403 -24.531 1.00 1.00 H new ATOM 0 HD2 TYR A 10 63.543 7.420 -20.864 1.00 1.00 H new ATOM 0 HE1 TYR A 10 64.071 3.218 -23.446 1.00 1.00 H new ATOM 0 HE2 TYR A 10 63.104 5.235 -19.778 1.00 1.00 H new ATOM 0 HH TYR A 10 63.048 3.015 -20.005 1.00 1.00 H new ATOM 143 N TYR A 11 66.859 9.731 -23.199 1.00 1.00 N ATOM 144 CA TYR A 11 67.436 11.070 -23.202 1.00 1.00 C ATOM 145 C TYR A 11 66.345 12.125 -23.050 1.00 1.00 C ATOM 146 O TYR A 11 65.381 12.151 -23.816 1.00 1.00 O ATOM 147 CB TYR A 11 68.198 11.307 -24.508 1.00 1.00 C ATOM 148 CG TYR A 11 69.377 12.213 -24.246 1.00 1.00 C ATOM 149 CD1 TYR A 11 69.190 13.597 -24.156 1.00 1.00 C ATOM 150 CD2 TYR A 11 70.658 11.668 -24.093 1.00 1.00 C ATOM 151 CE1 TYR A 11 70.284 14.437 -23.912 1.00 1.00 C ATOM 152 CE2 TYR A 11 71.752 12.507 -23.850 1.00 1.00 C ATOM 153 CZ TYR A 11 71.565 13.892 -23.760 1.00 1.00 C ATOM 154 OH TYR A 11 72.642 14.720 -23.520 1.00 1.00 O ATOM 0 H TYR A 11 66.973 9.220 -22.323 1.00 1.00 H new ATOM 0 HA TYR A 11 68.123 11.150 -22.360 1.00 1.00 H new ATOM 0 HB2 TYR A 11 68.540 10.357 -24.919 1.00 1.00 H new ATOM 0 HB3 TYR A 11 67.538 11.757 -25.250 1.00 1.00 H new ATOM 0 HD1 TYR A 11 68.202 14.017 -24.275 1.00 1.00 H new ATOM 0 HD2 TYR A 11 70.802 10.600 -24.163 1.00 1.00 H new ATOM 0 HE1 TYR A 11 70.140 15.505 -23.841 1.00 1.00 H new ATOM 0 HE2 TYR A 11 72.740 12.086 -23.732 1.00 1.00 H new ATOM 0 HH TYR A 11 73.457 14.182 -23.439 1.00 1.00 H new ATOM 164 N GLY A 12 66.503 12.995 -22.056 1.00 1.00 N ATOM 165 CA GLY A 12 65.525 14.047 -21.812 1.00 1.00 C ATOM 166 C GLY A 12 64.129 13.463 -21.629 1.00 1.00 C ATOM 167 O GLY A 12 63.149 13.992 -22.153 1.00 1.00 O ATOM 0 H GLY A 12 67.294 12.992 -21.412 1.00 1.00 H new ATOM 0 HA2 GLY A 12 65.807 14.611 -20.923 1.00 1.00 H new ATOM 0 HA3 GLY A 12 65.523 14.748 -22.647 1.00 1.00 H new ATOM 171 N ALA A 13 64.046 12.366 -20.882 1.00 1.00 N ATOM 172 CA ALA A 13 62.764 11.717 -20.636 1.00 1.00 C ATOM 173 C ALA A 13 62.154 12.213 -19.328 1.00 1.00 C ATOM 174 O ALA A 13 60.934 12.253 -19.177 1.00 1.00 O ATOM 175 CB ALA A 13 62.950 10.200 -20.571 1.00 1.00 C ATOM 0 H ALA A 13 64.845 11.911 -20.440 1.00 1.00 H new ATOM 0 HA ALA A 13 62.090 11.965 -21.456 1.00 1.00 H new ATOM 0 HB1 ALA A 13 61.987 9.723 -20.387 1.00 1.00 H new ATOM 0 HB2 ALA A 13 63.357 9.843 -21.517 1.00 1.00 H new ATOM 0 HB3 ALA A 13 63.638 9.952 -19.763 1.00 1.00 H new ATOM 181 N ASP A 14 63.013 12.588 -18.385 1.00 1.00 N ATOM 182 CA ASP A 14 62.548 13.079 -17.094 1.00 1.00 C ATOM 183 C ASP A 14 61.506 14.178 -17.282 1.00 1.00 C ATOM 184 O ASP A 14 60.665 14.404 -16.412 1.00 1.00 O ATOM 185 CB ASP A 14 63.727 13.625 -16.287 1.00 1.00 C ATOM 186 CG ASP A 14 64.783 12.540 -16.107 1.00 1.00 C ATOM 187 OD1 ASP A 14 64.521 11.416 -16.503 1.00 1.00 O ATOM 188 OD2 ASP A 14 65.838 12.848 -15.576 1.00 1.00 O ATOM 0 H ASP A 14 64.027 12.561 -18.490 1.00 1.00 H new ATOM 0 HA ASP A 14 62.092 12.249 -16.554 1.00 1.00 H new ATOM 0 HB2 ASP A 14 64.161 14.485 -16.798 1.00 1.00 H new ATOM 0 HB3 ASP A 14 63.382 13.973 -15.313 1.00 1.00 H new ATOM 193 N ASN A 15 61.568 14.857 -18.423 1.00 1.00 N ATOM 194 CA ASN A 15 60.625 15.929 -18.714 1.00 1.00 C ATOM 195 C ASN A 15 59.201 15.496 -18.382 1.00 1.00 C ATOM 196 O ASN A 15 58.404 16.284 -17.874 1.00 1.00 O ATOM 197 CB ASN A 15 60.712 16.314 -20.193 1.00 1.00 C ATOM 198 CG ASN A 15 60.822 17.829 -20.331 1.00 1.00 C ATOM 199 OD1 ASN A 15 59.826 18.503 -20.590 1.00 1.00 O ATOM 200 ND2 ASN A 15 61.982 18.406 -20.173 1.00 1.00 N ATOM 0 H ASN A 15 62.256 14.685 -19.156 1.00 1.00 H new ATOM 0 HA ASN A 15 60.883 16.791 -18.098 1.00 1.00 H new ATOM 0 HB2 ASN A 15 61.577 15.835 -20.652 1.00 1.00 H new ATOM 0 HB3 ASN A 15 59.830 15.955 -20.723 1.00 1.00 H new ATOM 0 HD21 ASN A 15 62.065 19.419 -20.264 1.00 1.00 H new ATOM 0 HD22 ASN A 15 62.806 17.844 -19.958 1.00 1.00 H new ATOM 207 N GLN A 16 58.888 14.237 -18.673 1.00 1.00 N ATOM 208 CA GLN A 16 57.557 13.709 -18.400 1.00 1.00 C ATOM 209 C GLN A 16 57.544 12.944 -17.080 1.00 1.00 C ATOM 210 O GLN A 16 56.929 11.882 -16.973 1.00 1.00 O ATOM 211 CB GLN A 16 57.120 12.781 -19.535 1.00 1.00 C ATOM 212 CG GLN A 16 57.459 13.425 -20.880 1.00 1.00 C ATOM 213 CD GLN A 16 56.940 12.555 -22.020 1.00 1.00 C ATOM 214 OE1 GLN A 16 55.836 12.015 -21.938 1.00 1.00 O ATOM 215 NE2 GLN A 16 57.673 12.386 -23.086 1.00 1.00 N ATOM 0 H GLN A 16 59.533 13.568 -19.095 1.00 1.00 H new ATOM 0 HA GLN A 16 56.862 14.546 -18.328 1.00 1.00 H new ATOM 0 HB2 GLN A 16 57.621 11.817 -19.445 1.00 1.00 H new ATOM 0 HB3 GLN A 16 56.049 12.590 -19.471 1.00 1.00 H new ATOM 0 HG2 GLN A 16 57.015 14.419 -20.939 1.00 1.00 H new ATOM 0 HG3 GLN A 16 58.538 13.552 -20.970 1.00 1.00 H new ATOM 0 HE21 GLN A 16 58.587 12.834 -23.153 1.00 1.00 H new ATOM 0 HE22 GLN A 16 57.332 11.806 -23.853 1.00 1.00 H new ATOM 224 N SER A 17 58.226 13.490 -16.079 1.00 1.00 N ATOM 225 CA SER A 17 58.287 12.850 -14.770 1.00 1.00 C ATOM 226 C SER A 17 57.355 13.552 -13.787 1.00 1.00 C ATOM 227 O SER A 17 56.512 14.358 -14.184 1.00 1.00 O ATOM 228 CB SER A 17 59.719 12.893 -14.235 1.00 1.00 C ATOM 229 OG SER A 17 60.098 14.246 -14.014 1.00 1.00 O ATOM 0 H SER A 17 58.741 14.368 -16.148 1.00 1.00 H new ATOM 0 HA SER A 17 57.970 11.813 -14.878 1.00 1.00 H new ATOM 0 HB2 SER A 17 59.789 12.327 -13.306 1.00 1.00 H new ATOM 0 HB3 SER A 17 60.399 12.424 -14.946 1.00 1.00 H new ATOM 0 HG SER A 17 60.621 14.568 -14.778 1.00 1.00 H new ATOM 235 N GLU A 18 57.511 13.241 -12.505 1.00 1.00 N ATOM 236 CA GLU A 18 56.677 13.848 -11.474 1.00 1.00 C ATOM 237 C GLU A 18 56.810 15.367 -11.503 1.00 1.00 C ATOM 238 O GLU A 18 57.628 15.941 -10.785 1.00 1.00 O ATOM 239 CB GLU A 18 57.085 13.323 -10.096 1.00 1.00 C ATOM 240 CG GLU A 18 57.147 11.795 -10.129 1.00 1.00 C ATOM 241 CD GLU A 18 58.594 11.330 -9.997 1.00 1.00 C ATOM 242 OE1 GLU A 18 59.098 11.335 -8.887 1.00 1.00 O ATOM 243 OE2 GLU A 18 59.175 10.975 -11.010 1.00 1.00 O ATOM 0 H GLU A 18 58.202 12.577 -12.156 1.00 1.00 H new ATOM 0 HA GLU A 18 55.638 13.582 -11.670 1.00 1.00 H new ATOM 0 HB2 GLU A 18 58.055 13.731 -9.813 1.00 1.00 H new ATOM 0 HB3 GLU A 18 56.369 13.652 -9.343 1.00 1.00 H new ATOM 0 HG2 GLU A 18 56.548 11.381 -9.318 1.00 1.00 H new ATOM 0 HG3 GLU A 18 56.721 11.425 -11.062 1.00 1.00 H new ATOM 250 N CYS A 19 56.002 16.011 -12.339 1.00 1.00 N ATOM 251 CA CYS A 19 56.039 17.465 -12.454 1.00 1.00 C ATOM 252 C CYS A 19 54.624 18.032 -12.525 1.00 1.00 C ATOM 253 O CYS A 19 54.255 18.906 -11.740 1.00 1.00 O ATOM 254 CB CYS A 19 56.817 17.870 -13.706 1.00 1.00 C ATOM 255 SG CYS A 19 57.208 19.635 -13.628 1.00 1.00 S ATOM 0 H CYS A 19 55.319 15.554 -12.943 1.00 1.00 H new ATOM 0 HA CYS A 19 56.536 17.869 -11.572 1.00 1.00 H new ATOM 0 HB2 CYS A 19 57.734 17.286 -13.782 1.00 1.00 H new ATOM 0 HB3 CYS A 19 56.228 17.656 -14.598 1.00 1.00 H new ATOM 0 HG CYS A 19 57.871 19.980 -14.691 1.00 1.00 H new ATOM 261 N GLU A 20 53.837 17.529 -13.470 1.00 1.00 N ATOM 262 CA GLU A 20 52.465 17.993 -13.635 1.00 1.00 C ATOM 263 C GLU A 20 51.528 16.818 -13.892 1.00 1.00 C ATOM 264 O GLU A 20 50.335 17.003 -14.136 1.00 1.00 O ATOM 265 CB GLU A 20 52.383 18.979 -14.803 1.00 1.00 C ATOM 266 CG GLU A 20 53.430 20.078 -14.618 1.00 1.00 C ATOM 267 CD GLU A 20 53.281 21.131 -15.711 1.00 1.00 C ATOM 268 OE1 GLU A 20 52.467 20.925 -16.596 1.00 1.00 O ATOM 269 OE2 GLU A 20 53.983 22.126 -15.648 1.00 1.00 O ATOM 0 H GLU A 20 54.123 16.805 -14.129 1.00 1.00 H new ATOM 0 HA GLU A 20 52.158 18.493 -12.716 1.00 1.00 H new ATOM 0 HB2 GLU A 20 52.551 18.457 -15.745 1.00 1.00 H new ATOM 0 HB3 GLU A 20 51.386 19.417 -14.854 1.00 1.00 H new ATOM 0 HG2 GLU A 20 53.314 20.541 -13.638 1.00 1.00 H new ATOM 0 HG3 GLU A 20 54.431 19.647 -14.651 1.00 1.00 H new ATOM 276 N TYR A 21 52.076 15.608 -13.837 1.00 1.00 N ATOM 277 CA TYR A 21 51.279 14.408 -14.067 1.00 1.00 C ATOM 278 C TYR A 21 50.927 13.738 -12.743 1.00 1.00 C ATOM 279 O TYR A 21 50.255 12.707 -12.717 1.00 1.00 O ATOM 280 CB TYR A 21 52.055 13.427 -14.947 1.00 1.00 C ATOM 281 CG TYR A 21 52.486 14.122 -16.217 1.00 1.00 C ATOM 282 CD1 TYR A 21 51.632 14.146 -17.326 1.00 1.00 C ATOM 283 CD2 TYR A 21 53.740 14.740 -16.285 1.00 1.00 C ATOM 284 CE1 TYR A 21 52.032 14.790 -18.503 1.00 1.00 C ATOM 285 CE2 TYR A 21 54.140 15.384 -17.461 1.00 1.00 C ATOM 286 CZ TYR A 21 53.286 15.409 -18.571 1.00 1.00 C ATOM 287 OH TYR A 21 53.681 16.044 -19.731 1.00 1.00 O ATOM 0 H TYR A 21 53.061 15.433 -13.637 1.00 1.00 H new ATOM 0 HA TYR A 21 50.357 14.697 -14.572 1.00 1.00 H new ATOM 0 HB2 TYR A 21 52.927 13.052 -14.411 1.00 1.00 H new ATOM 0 HB3 TYR A 21 51.432 12.565 -15.185 1.00 1.00 H new ATOM 0 HD1 TYR A 21 50.665 13.668 -17.274 1.00 1.00 H new ATOM 0 HD2 TYR A 21 54.399 14.720 -15.430 1.00 1.00 H new ATOM 0 HE1 TYR A 21 51.373 14.809 -19.359 1.00 1.00 H new ATOM 0 HE2 TYR A 21 55.107 15.862 -17.513 1.00 1.00 H new ATOM 0 HH TYR A 21 54.577 16.422 -19.608 1.00 1.00 H new ATOM 297 N THR A 22 51.386 14.330 -11.645 1.00 1.00 N ATOM 298 CA THR A 22 51.112 13.780 -10.322 1.00 1.00 C ATOM 299 C THR A 22 50.899 14.901 -9.309 1.00 1.00 C ATOM 300 O THR A 22 50.068 14.787 -8.409 1.00 1.00 O ATOM 301 CB THR A 22 52.279 12.899 -9.872 1.00 1.00 C ATOM 302 OG1 THR A 22 53.362 13.722 -9.462 1.00 1.00 O ATOM 303 CG2 THR A 22 52.724 12.006 -11.032 1.00 1.00 C ATOM 0 H THR A 22 51.945 15.183 -11.644 1.00 1.00 H new ATOM 0 HA THR A 22 50.204 13.180 -10.379 1.00 1.00 H new ATOM 0 HB THR A 22 51.962 12.274 -9.037 1.00 1.00 H new ATOM 0 HG1 THR A 22 54.109 13.159 -9.172 1.00 1.00 H new ATOM 0 HG21 THR A 22 53.555 11.379 -10.710 1.00 1.00 H new ATOM 0 HG22 THR A 22 51.893 11.374 -11.344 1.00 1.00 H new ATOM 0 HG23 THR A 22 53.041 12.628 -11.869 1.00 1.00 H new ATOM 311 N ASP A 23 51.655 15.983 -9.463 1.00 1.00 N ATOM 312 CA ASP A 23 51.540 17.119 -8.555 1.00 1.00 C ATOM 313 C ASP A 23 50.075 17.423 -8.259 1.00 1.00 C ATOM 314 O ASP A 23 49.735 17.883 -7.169 1.00 1.00 O ATOM 315 CB ASP A 23 52.204 18.351 -9.174 1.00 1.00 C ATOM 316 CG ASP A 23 53.032 19.080 -8.122 1.00 1.00 C ATOM 317 OD1 ASP A 23 53.957 18.478 -7.602 1.00 1.00 O ATOM 318 OD2 ASP A 23 52.729 20.231 -7.851 1.00 1.00 O ATOM 0 H ASP A 23 52.349 16.097 -10.202 1.00 1.00 H new ATOM 0 HA ASP A 23 52.042 16.866 -7.621 1.00 1.00 H new ATOM 0 HB2 ASP A 23 52.841 18.052 -10.007 1.00 1.00 H new ATOM 0 HB3 ASP A 23 51.444 19.020 -9.578 1.00 1.00 H new ATOM 323 N TRP A 24 49.212 17.165 -9.237 1.00 1.00 N ATOM 324 CA TRP A 24 47.785 17.416 -9.070 1.00 1.00 C ATOM 325 C TRP A 24 47.042 16.116 -8.779 1.00 1.00 C ATOM 326 O TRP A 24 46.372 15.990 -7.754 1.00 1.00 O ATOM 327 CB TRP A 24 47.217 18.060 -10.335 1.00 1.00 C ATOM 328 CG TRP A 24 47.382 17.123 -11.489 1.00 1.00 C ATOM 329 CD1 TRP A 24 48.555 16.845 -12.101 1.00 1.00 C ATOM 330 CD2 TRP A 24 46.364 16.339 -12.176 1.00 1.00 C ATOM 331 NE1 TRP A 24 48.322 15.939 -13.122 1.00 1.00 N ATOM 332 CE2 TRP A 24 46.987 15.597 -13.207 1.00 1.00 C ATOM 333 CE3 TRP A 24 44.974 16.200 -12.006 1.00 1.00 C ATOM 334 CZ2 TRP A 24 46.258 14.746 -14.040 1.00 1.00 C ATOM 335 CZ3 TRP A 24 44.238 15.345 -12.843 1.00 1.00 C ATOM 336 CH2 TRP A 24 44.878 14.621 -13.858 1.00 1.00 C ATOM 0 H TRP A 24 49.473 16.785 -10.147 1.00 1.00 H new ATOM 0 HA TRP A 24 47.650 18.093 -8.227 1.00 1.00 H new ATOM 0 HB2 TRP A 24 46.163 18.297 -10.193 1.00 1.00 H new ATOM 0 HB3 TRP A 24 47.730 19.000 -10.539 1.00 1.00 H new ATOM 0 HD1 TRP A 24 49.516 17.261 -11.837 1.00 1.00 H new ATOM 0 HE1 TRP A 24 49.048 15.570 -13.736 1.00 1.00 H new ATOM 0 HE3 TRP A 24 44.470 16.754 -11.228 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 46.757 14.189 -14.819 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 43.172 15.245 -12.703 1.00 1.00 H new ATOM 0 HH2 TRP A 24 44.305 13.967 -14.499 1.00 1.00 H new ATOM 347 N LYS A 25 47.169 15.153 -9.687 1.00 1.00 N ATOM 348 CA LYS A 25 46.512 13.866 -9.526 1.00 1.00 C ATOM 349 C LYS A 25 45.108 14.041 -8.955 1.00 1.00 C ATOM 350 O LYS A 25 44.927 14.113 -7.740 1.00 1.00 O ATOM 351 CB LYS A 25 47.339 12.975 -8.600 1.00 1.00 C ATOM 352 CG LYS A 25 46.700 11.591 -8.520 1.00 1.00 C ATOM 353 CD LYS A 25 47.769 10.517 -8.733 1.00 1.00 C ATOM 354 CE LYS A 25 48.200 10.507 -10.201 1.00 1.00 C ATOM 355 NZ LYS A 25 47.678 9.277 -10.863 1.00 1.00 N ATOM 0 H LYS A 25 47.721 15.242 -10.540 1.00 1.00 H new ATOM 0 HA LYS A 25 46.430 13.396 -10.506 1.00 1.00 H new ATOM 0 HB2 LYS A 25 48.360 12.895 -8.972 1.00 1.00 H new ATOM 0 HB3 LYS A 25 47.396 13.419 -7.606 1.00 1.00 H new ATOM 0 HG2 LYS A 25 46.223 11.456 -7.549 1.00 1.00 H new ATOM 0 HG3 LYS A 25 45.920 11.496 -9.275 1.00 1.00 H new ATOM 0 HD2 LYS A 25 48.629 10.713 -8.092 1.00 1.00 H new ATOM 0 HD3 LYS A 25 47.378 9.539 -8.451 1.00 1.00 H new ATOM 0 HE2 LYS A 25 47.822 11.395 -10.708 1.00 1.00 H new ATOM 0 HE3 LYS A 25 49.287 10.538 -10.272 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 47.970 9.269 -11.861 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 48.059 8.436 -10.384 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 46.640 9.266 -10.806 1.00 1.00 H new ATOM 369 N SER A 26 44.119 14.108 -9.839 1.00 1.00 N ATOM 370 CA SER A 26 42.735 14.275 -9.411 1.00 1.00 C ATOM 371 C SER A 26 41.792 13.514 -10.338 1.00 1.00 C ATOM 372 O SER A 26 41.647 13.859 -11.510 1.00 1.00 O ATOM 373 CB SER A 26 42.364 15.758 -9.409 1.00 1.00 C ATOM 374 OG SER A 26 42.202 16.204 -10.749 1.00 1.00 O ATOM 0 H SER A 26 44.248 14.050 -10.849 1.00 1.00 H new ATOM 0 HA SER A 26 42.636 13.875 -8.402 1.00 1.00 H new ATOM 0 HB2 SER A 26 41.442 15.913 -8.848 1.00 1.00 H new ATOM 0 HB3 SER A 26 43.141 16.338 -8.912 1.00 1.00 H new ATOM 0 HG SER A 26 42.963 15.903 -11.288 1.00 1.00 H new ATOM 380 N SER A 27 41.155 12.478 -9.804 1.00 1.00 N ATOM 381 CA SER A 27 40.227 11.675 -10.592 1.00 1.00 C ATOM 382 C SER A 27 38.802 12.195 -10.436 1.00 1.00 C ATOM 383 O SER A 27 37.839 11.507 -10.777 1.00 1.00 O ATOM 384 CB SER A 27 40.291 10.215 -10.145 1.00 1.00 C ATOM 385 OG SER A 27 41.593 9.703 -10.396 1.00 1.00 O ATOM 0 H SER A 27 41.263 12.176 -8.836 1.00 1.00 H new ATOM 0 HA SER A 27 40.514 11.747 -11.641 1.00 1.00 H new ATOM 0 HB2 SER A 27 40.056 10.137 -9.084 1.00 1.00 H new ATOM 0 HB3 SER A 27 39.547 9.626 -10.681 1.00 1.00 H new ATOM 0 HG SER A 27 41.637 8.767 -10.109 1.00 1.00 H new ATOM 391 N GLY A 28 38.675 13.413 -9.922 1.00 1.00 N ATOM 392 CA GLY A 28 37.361 14.016 -9.725 1.00 1.00 C ATOM 393 C GLY A 28 37.485 15.499 -9.399 1.00 1.00 C ATOM 394 O GLY A 28 36.638 16.303 -9.788 1.00 1.00 O ATOM 0 H GLY A 28 39.459 13.999 -9.636 1.00 1.00 H new ATOM 0 HA2 GLY A 28 36.759 13.887 -10.624 1.00 1.00 H new ATOM 0 HA3 GLY A 28 36.840 13.504 -8.916 1.00 1.00 H new ATOM 398 N ALA A 29 38.548 15.855 -8.683 1.00 1.00 N ATOM 399 CA ALA A 29 38.776 17.247 -8.308 1.00 1.00 C ATOM 400 C ALA A 29 37.908 17.630 -7.112 1.00 1.00 C ATOM 401 O ALA A 29 37.305 18.703 -7.089 1.00 1.00 O ATOM 402 CB ALA A 29 38.460 18.166 -9.490 1.00 1.00 C ATOM 0 H ALA A 29 39.260 15.204 -8.353 1.00 1.00 H new ATOM 0 HA ALA A 29 39.824 17.362 -8.031 1.00 1.00 H new ATOM 0 HB1 ALA A 29 38.633 19.203 -9.201 1.00 1.00 H new ATOM 0 HB2 ALA A 29 39.105 17.911 -10.331 1.00 1.00 H new ATOM 0 HB3 ALA A 29 37.417 18.039 -9.781 1.00 1.00 H new ATOM 408 N LEU A 30 37.856 16.750 -6.119 1.00 1.00 N ATOM 409 CA LEU A 30 37.064 17.009 -4.922 1.00 1.00 C ATOM 410 C LEU A 30 37.576 16.182 -3.748 1.00 1.00 C ATOM 411 O LEU A 30 36.874 15.997 -2.754 1.00 1.00 O ATOM 412 CB LEU A 30 35.584 16.696 -5.186 1.00 1.00 C ATOM 413 CG LEU A 30 35.343 15.179 -5.198 1.00 1.00 C ATOM 414 CD1 LEU A 30 33.920 14.900 -5.682 1.00 1.00 C ATOM 415 CD2 LEU A 30 36.338 14.501 -6.144 1.00 1.00 C ATOM 0 H LEU A 30 38.349 15.857 -6.118 1.00 1.00 H new ATOM 0 HA LEU A 30 37.161 18.064 -4.668 1.00 1.00 H new ATOM 0 HB2 LEU A 30 34.966 17.161 -4.418 1.00 1.00 H new ATOM 0 HB3 LEU A 30 35.281 17.125 -6.141 1.00 1.00 H new ATOM 0 HG LEU A 30 35.478 14.785 -4.191 1.00 1.00 H new ATOM 0 HD11 LEU A 30 33.744 13.824 -5.692 1.00 1.00 H new ATOM 0 HD12 LEU A 30 33.207 15.378 -5.010 1.00 1.00 H new ATOM 0 HD13 LEU A 30 33.793 15.298 -6.689 1.00 1.00 H new ATOM 0 HD21 LEU A 30 36.161 13.425 -6.148 1.00 1.00 H new ATOM 0 HD22 LEU A 30 36.207 14.894 -7.152 1.00 1.00 H new ATOM 0 HD23 LEU A 30 37.355 14.701 -5.806 1.00 1.00 H new ATOM 427 N ILE A 31 38.805 15.690 -3.866 1.00 1.00 N ATOM 428 CA ILE A 31 39.400 14.888 -2.805 1.00 1.00 C ATOM 429 C ILE A 31 39.726 15.748 -1.582 1.00 1.00 C ATOM 430 O ILE A 31 39.542 15.309 -0.447 1.00 1.00 O ATOM 431 CB ILE A 31 40.675 14.195 -3.301 1.00 1.00 C ATOM 432 CG1 ILE A 31 40.636 14.074 -4.827 1.00 1.00 C ATOM 433 CG2 ILE A 31 40.768 12.799 -2.683 1.00 1.00 C ATOM 434 CD1 ILE A 31 41.603 12.978 -5.278 1.00 1.00 C ATOM 0 H ILE A 31 39.404 15.831 -4.679 1.00 1.00 H new ATOM 0 HA ILE A 31 38.671 14.131 -2.516 1.00 1.00 H new ATOM 0 HB ILE A 31 41.544 14.784 -3.007 1.00 1.00 H new ATOM 0 HG12 ILE A 31 39.624 13.839 -5.158 1.00 1.00 H new ATOM 0 HG13 ILE A 31 40.909 15.025 -5.285 1.00 1.00 H new ATOM 0 HG21 ILE A 31 41.674 12.305 -3.035 1.00 1.00 H new ATOM 0 HG22 ILE A 31 40.799 12.883 -1.597 1.00 1.00 H new ATOM 0 HG23 ILE A 31 39.898 12.212 -2.977 1.00 1.00 H new ATOM 0 HD11 ILE A 31 41.575 12.892 -6.364 1.00 1.00 H new ATOM 0 HD12 ILE A 31 42.614 13.232 -4.960 1.00 1.00 H new ATOM 0 HD13 ILE A 31 41.310 12.028 -4.831 1.00 1.00 H new ATOM 446 N PRO A 32 40.200 16.955 -1.782 1.00 1.00 N ATOM 447 CA PRO A 32 40.547 17.870 -0.655 1.00 1.00 C ATOM 448 C PRO A 32 39.337 18.166 0.228 1.00 1.00 C ATOM 449 O PRO A 32 39.466 18.763 1.296 1.00 1.00 O ATOM 450 CB PRO A 32 41.047 19.148 -1.341 1.00 1.00 C ATOM 451 CG PRO A 32 41.377 18.753 -2.743 1.00 1.00 C ATOM 452 CD PRO A 32 40.458 17.584 -3.087 1.00 1.00 C ATOM 0 HA PRO A 32 41.291 17.430 0.009 1.00 1.00 H new ATOM 0 HB2 PRO A 32 40.284 19.926 -1.323 1.00 1.00 H new ATOM 0 HB3 PRO A 32 41.923 19.549 -0.831 1.00 1.00 H new ATOM 0 HG2 PRO A 32 41.220 19.586 -3.429 1.00 1.00 H new ATOM 0 HG3 PRO A 32 42.424 18.463 -2.829 1.00 1.00 H new ATOM 0 HD2 PRO A 32 39.536 17.924 -3.558 1.00 1.00 H new ATOM 0 HD3 PRO A 32 40.933 16.890 -3.780 1.00 1.00 H new ATOM 460 N ALA A 33 38.164 17.740 -0.228 1.00 1.00 N ATOM 461 CA ALA A 33 36.935 17.960 0.524 1.00 1.00 C ATOM 462 C ALA A 33 36.551 16.705 1.299 1.00 1.00 C ATOM 463 O ALA A 33 36.437 16.731 2.525 1.00 1.00 O ATOM 464 CB ALA A 33 35.800 18.341 -0.428 1.00 1.00 C ATOM 0 H ALA A 33 38.039 17.243 -1.110 1.00 1.00 H new ATOM 0 HA ALA A 33 37.104 18.773 1.230 1.00 1.00 H new ATOM 0 HB1 ALA A 33 34.886 18.503 0.143 1.00 1.00 H new ATOM 0 HB2 ALA A 33 36.063 19.255 -0.960 1.00 1.00 H new ATOM 0 HB3 ALA A 33 35.642 17.536 -1.146 1.00 1.00 H new ATOM 470 N ILE A 34 36.354 15.607 0.578 1.00 1.00 N ATOM 471 CA ILE A 34 35.983 14.346 1.210 1.00 1.00 C ATOM 472 C ILE A 34 36.981 13.984 2.306 1.00 1.00 C ATOM 473 O ILE A 34 36.634 13.311 3.276 1.00 1.00 O ATOM 474 CB ILE A 34 35.942 13.230 0.166 1.00 1.00 C ATOM 475 CG1 ILE A 34 34.872 13.552 -0.881 1.00 1.00 C ATOM 476 CG2 ILE A 34 35.605 11.904 0.848 1.00 1.00 C ATOM 477 CD1 ILE A 34 35.031 12.613 -2.078 1.00 1.00 C ATOM 0 H ILE A 34 36.444 15.564 -0.437 1.00 1.00 H new ATOM 0 HA ILE A 34 34.995 14.461 1.656 1.00 1.00 H new ATOM 0 HB ILE A 34 36.915 13.151 -0.319 1.00 1.00 H new ATOM 0 HG12 ILE A 34 33.878 13.440 -0.447 1.00 1.00 H new ATOM 0 HG13 ILE A 34 34.964 14.589 -1.204 1.00 1.00 H new ATOM 0 HG21 ILE A 34 35.576 11.109 0.103 1.00 1.00 H new ATOM 0 HG22 ILE A 34 36.366 11.675 1.594 1.00 1.00 H new ATOM 0 HG23 ILE A 34 34.632 11.982 1.334 1.00 1.00 H new ATOM 0 HD11 ILE A 34 34.270 12.842 -2.824 1.00 1.00 H new ATOM 0 HD12 ILE A 34 36.020 12.747 -2.516 1.00 1.00 H new ATOM 0 HD13 ILE A 34 34.917 11.580 -1.748 1.00 1.00 H new ATOM 489 N TYR A 35 38.221 14.435 2.143 1.00 1.00 N ATOM 490 CA TYR A 35 39.261 14.151 3.124 1.00 1.00 C ATOM 491 C TYR A 35 39.171 15.120 4.300 1.00 1.00 C ATOM 492 O TYR A 35 38.795 14.735 5.406 1.00 1.00 O ATOM 493 CB TYR A 35 40.640 14.265 2.471 1.00 1.00 C ATOM 494 CG TYR A 35 41.697 13.788 3.437 1.00 1.00 C ATOM 495 CD1 TYR A 35 42.212 14.666 4.400 1.00 1.00 C ATOM 496 CD2 TYR A 35 42.164 12.471 3.371 1.00 1.00 C ATOM 497 CE1 TYR A 35 43.192 14.225 5.296 1.00 1.00 C ATOM 498 CE2 TYR A 35 43.146 12.030 4.267 1.00 1.00 C ATOM 499 CZ TYR A 35 43.660 12.906 5.229 1.00 1.00 C ATOM 500 OH TYR A 35 44.626 12.472 6.112 1.00 1.00 O ATOM 0 H TYR A 35 38.528 14.994 1.347 1.00 1.00 H new ATOM 0 HA TYR A 35 39.116 13.136 3.494 1.00 1.00 H new ATOM 0 HB2 TYR A 35 40.672 13.670 1.558 1.00 1.00 H new ATOM 0 HB3 TYR A 35 40.834 15.299 2.185 1.00 1.00 H new ATOM 0 HD1 TYR A 35 41.852 15.683 4.451 1.00 1.00 H new ATOM 0 HD2 TYR A 35 41.767 11.794 2.629 1.00 1.00 H new ATOM 0 HE1 TYR A 35 43.588 14.901 6.039 1.00 1.00 H new ATOM 0 HE2 TYR A 35 43.507 11.013 4.215 1.00 1.00 H new ATOM 0 HH TYR A 35 44.837 11.532 5.930 1.00 1.00 H new ATOM 510 N MET A 36 39.521 16.378 4.051 1.00 1.00 N ATOM 511 CA MET A 36 39.477 17.392 5.098 1.00 1.00 C ATOM 512 C MET A 36 38.201 17.258 5.923 1.00 1.00 C ATOM 513 O MET A 36 38.160 17.652 7.088 1.00 1.00 O ATOM 514 CB MET A 36 39.547 18.791 4.477 1.00 1.00 C ATOM 515 CG MET A 36 38.140 19.259 4.099 1.00 1.00 C ATOM 516 SD MET A 36 38.256 20.592 2.880 1.00 1.00 S ATOM 517 CE MET A 36 38.451 21.956 4.053 1.00 1.00 C ATOM 0 H MET A 36 39.835 16.717 3.142 1.00 1.00 H new ATOM 0 HA MET A 36 40.335 17.246 5.755 1.00 1.00 H new ATOM 0 HB2 MET A 36 39.996 19.490 5.182 1.00 1.00 H new ATOM 0 HB3 MET A 36 40.185 18.776 3.593 1.00 1.00 H new ATOM 0 HG2 MET A 36 37.566 18.427 3.691 1.00 1.00 H new ATOM 0 HG3 MET A 36 37.610 19.607 4.986 1.00 1.00 H new ATOM 0 HE1 MET A 36 38.543 22.895 3.507 1.00 1.00 H new ATOM 0 HE2 MET A 36 37.581 22.000 4.708 1.00 1.00 H new ATOM 0 HE3 MET A 36 39.348 21.796 4.652 1.00 1.00 H new ATOM 527 N LEU A 37 37.162 16.699 5.311 1.00 1.00 N ATOM 528 CA LEU A 37 35.891 16.518 6.001 1.00 1.00 C ATOM 529 C LEU A 37 36.026 15.471 7.103 1.00 1.00 C ATOM 530 O LEU A 37 35.525 15.657 8.212 1.00 1.00 O ATOM 531 CB LEU A 37 34.813 16.077 5.007 1.00 1.00 C ATOM 532 CG LEU A 37 34.086 17.307 4.460 1.00 1.00 C ATOM 533 CD1 LEU A 37 33.460 16.971 3.106 1.00 1.00 C ATOM 534 CD2 LEU A 37 32.986 17.728 5.439 1.00 1.00 C ATOM 0 H LEU A 37 37.175 16.366 4.347 1.00 1.00 H new ATOM 0 HA LEU A 37 35.604 17.469 6.449 1.00 1.00 H new ATOM 0 HB2 LEU A 37 35.265 15.516 4.189 1.00 1.00 H new ATOM 0 HB3 LEU A 37 34.103 15.410 5.497 1.00 1.00 H new ATOM 0 HG LEU A 37 34.798 18.124 4.339 1.00 1.00 H new ATOM 0 HD11 LEU A 37 32.942 17.848 2.717 1.00 1.00 H new ATOM 0 HD12 LEU A 37 34.242 16.672 2.408 1.00 1.00 H new ATOM 0 HD13 LEU A 37 32.749 16.154 3.227 1.00 1.00 H new ATOM 0 HD21 LEU A 37 32.468 18.604 5.049 1.00 1.00 H new ATOM 0 HD22 LEU A 37 32.275 16.911 5.561 1.00 1.00 H new ATOM 0 HD23 LEU A 37 33.431 17.969 6.404 1.00 1.00 H new ATOM 546 N VAL A 38 36.707 14.374 6.790 1.00 1.00 N ATOM 547 CA VAL A 38 36.903 13.305 7.761 1.00 1.00 C ATOM 548 C VAL A 38 37.639 13.827 8.991 1.00 1.00 C ATOM 549 O VAL A 38 37.430 13.341 10.103 1.00 1.00 O ATOM 550 CB VAL A 38 37.706 12.167 7.130 1.00 1.00 C ATOM 551 CG1 VAL A 38 38.139 11.183 8.218 1.00 1.00 C ATOM 552 CG2 VAL A 38 36.836 11.439 6.103 1.00 1.00 C ATOM 0 H VAL A 38 37.130 14.203 5.878 1.00 1.00 H new ATOM 0 HA VAL A 38 35.925 12.934 8.066 1.00 1.00 H new ATOM 0 HB VAL A 38 38.588 12.575 6.637 1.00 1.00 H new ATOM 0 HG11 VAL A 38 38.711 10.372 7.768 1.00 1.00 H new ATOM 0 HG12 VAL A 38 38.758 11.700 8.951 1.00 1.00 H new ATOM 0 HG13 VAL A 38 37.257 10.775 8.711 1.00 1.00 H new ATOM 0 HG21 VAL A 38 37.407 10.627 5.652 1.00 1.00 H new ATOM 0 HG22 VAL A 38 35.954 11.031 6.597 1.00 1.00 H new ATOM 0 HG23 VAL A 38 36.526 12.139 5.327 1.00 1.00 H new ATOM 562 N PHE A 39 38.498 14.818 8.785 1.00 1.00 N ATOM 563 CA PHE A 39 39.259 15.398 9.887 1.00 1.00 C ATOM 564 C PHE A 39 38.330 16.135 10.847 1.00 1.00 C ATOM 565 O PHE A 39 38.670 16.349 12.011 1.00 1.00 O ATOM 566 CB PHE A 39 40.310 16.367 9.341 1.00 1.00 C ATOM 567 CG PHE A 39 40.746 17.311 10.438 1.00 1.00 C ATOM 568 CD1 PHE A 39 41.229 16.799 11.648 1.00 1.00 C ATOM 569 CD2 PHE A 39 40.667 18.695 10.245 1.00 1.00 C ATOM 570 CE1 PHE A 39 41.634 17.671 12.666 1.00 1.00 C ATOM 571 CE2 PHE A 39 41.072 19.567 11.262 1.00 1.00 C ATOM 572 CZ PHE A 39 41.555 19.056 12.473 1.00 1.00 C ATOM 0 H PHE A 39 38.685 15.235 7.873 1.00 1.00 H new ATOM 0 HA PHE A 39 39.756 14.593 10.428 1.00 1.00 H new ATOM 0 HB2 PHE A 39 41.168 15.813 8.962 1.00 1.00 H new ATOM 0 HB3 PHE A 39 39.899 16.931 8.504 1.00 1.00 H new ATOM 0 HD1 PHE A 39 41.289 15.731 11.796 1.00 1.00 H new ATOM 0 HD2 PHE A 39 40.294 19.090 9.312 1.00 1.00 H new ATOM 0 HE1 PHE A 39 42.007 17.276 13.599 1.00 1.00 H new ATOM 0 HE2 PHE A 39 41.012 20.635 11.113 1.00 1.00 H new ATOM 0 HZ PHE A 39 41.866 19.729 13.258 1.00 1.00 H new ATOM 582 N LEU A 40 37.158 16.517 10.349 1.00 1.00 N ATOM 583 CA LEU A 40 36.181 17.229 11.168 1.00 1.00 C ATOM 584 C LEU A 40 34.997 16.325 11.497 1.00 1.00 C ATOM 585 O LEU A 40 34.329 16.507 12.514 1.00 1.00 O ATOM 586 CB LEU A 40 35.683 18.470 10.425 1.00 1.00 C ATOM 587 CG LEU A 40 36.879 19.311 9.972 1.00 1.00 C ATOM 588 CD1 LEU A 40 36.379 20.538 9.206 1.00 1.00 C ATOM 589 CD2 LEU A 40 37.679 19.768 11.195 1.00 1.00 C ATOM 0 H LEU A 40 36.862 16.347 9.388 1.00 1.00 H new ATOM 0 HA LEU A 40 36.665 17.530 12.097 1.00 1.00 H new ATOM 0 HB2 LEU A 40 35.086 18.175 9.562 1.00 1.00 H new ATOM 0 HB3 LEU A 40 35.036 19.060 11.074 1.00 1.00 H new ATOM 0 HG LEU A 40 37.518 18.710 9.324 1.00 1.00 H new ATOM 0 HD11 LEU A 40 37.230 21.137 8.883 1.00 1.00 H new ATOM 0 HD12 LEU A 40 35.811 20.216 8.334 1.00 1.00 H new ATOM 0 HD13 LEU A 40 35.739 21.136 9.855 1.00 1.00 H new ATOM 0 HD21 LEU A 40 38.530 20.367 10.870 1.00 1.00 H new ATOM 0 HD22 LEU A 40 37.041 20.367 11.844 1.00 1.00 H new ATOM 0 HD23 LEU A 40 38.037 18.896 11.742 1.00 1.00 H new ATOM 601 N LEU A 41 34.745 15.350 10.629 1.00 1.00 N ATOM 602 CA LEU A 41 33.638 14.423 10.836 1.00 1.00 C ATOM 603 C LEU A 41 34.152 13.089 11.370 1.00 1.00 C ATOM 604 O LEU A 41 33.369 12.189 11.676 1.00 1.00 O ATOM 605 CB LEU A 41 32.895 14.193 9.515 1.00 1.00 C ATOM 606 CG LEU A 41 31.603 15.016 9.486 1.00 1.00 C ATOM 607 CD1 LEU A 41 30.606 14.467 10.513 1.00 1.00 C ATOM 608 CD2 LEU A 41 31.919 16.478 9.814 1.00 1.00 C ATOM 0 H LEU A 41 35.288 15.182 9.782 1.00 1.00 H new ATOM 0 HA LEU A 41 32.955 14.857 11.566 1.00 1.00 H new ATOM 0 HB2 LEU A 41 33.533 14.474 8.677 1.00 1.00 H new ATOM 0 HB3 LEU A 41 32.663 13.134 9.399 1.00 1.00 H new ATOM 0 HG LEU A 41 31.163 14.950 8.491 1.00 1.00 H new ATOM 0 HD11 LEU A 41 29.691 15.059 10.484 1.00 1.00 H new ATOM 0 HD12 LEU A 41 30.374 13.429 10.276 1.00 1.00 H new ATOM 0 HD13 LEU A 41 31.043 14.523 11.510 1.00 1.00 H new ATOM 0 HD21 LEU A 41 30.999 17.063 9.793 1.00 1.00 H new ATOM 0 HD22 LEU A 41 32.366 16.540 10.806 1.00 1.00 H new ATOM 0 HD23 LEU A 41 32.617 16.874 9.076 1.00 1.00 H new ATOM 620 N GLY A 42 35.470 12.970 11.481 1.00 1.00 N ATOM 621 CA GLY A 42 36.077 11.741 11.979 1.00 1.00 C ATOM 622 C GLY A 42 35.740 11.526 13.451 1.00 1.00 C ATOM 623 O GLY A 42 35.245 10.466 13.835 1.00 1.00 O ATOM 0 H GLY A 42 36.135 13.703 11.235 1.00 1.00 H new ATOM 0 HA2 GLY A 42 35.724 10.893 11.393 1.00 1.00 H new ATOM 0 HA3 GLY A 42 37.159 11.787 11.852 1.00 1.00 H new ATOM 627 N THR A 43 36.012 12.537 14.269 1.00 1.00 N ATOM 628 CA THR A 43 35.734 12.447 15.697 1.00 1.00 C ATOM 629 C THR A 43 35.134 13.755 16.209 1.00 1.00 C ATOM 630 O THR A 43 34.267 13.751 17.082 1.00 1.00 O ATOM 631 CB THR A 43 37.022 12.140 16.464 1.00 1.00 C ATOM 632 OG1 THR A 43 36.735 12.050 17.852 1.00 1.00 O ATOM 633 CG2 THR A 43 38.040 13.255 16.222 1.00 1.00 C ATOM 0 H THR A 43 36.422 13.422 13.970 1.00 1.00 H new ATOM 0 HA THR A 43 35.017 11.642 15.858 1.00 1.00 H new ATOM 0 HB THR A 43 37.435 11.193 16.117 1.00 1.00 H new ATOM 0 HG1 THR A 43 37.559 11.852 18.344 1.00 1.00 H new ATOM 0 HG21 THR A 43 38.957 13.035 16.769 1.00 1.00 H new ATOM 0 HG22 THR A 43 38.260 13.322 15.157 1.00 1.00 H new ATOM 0 HG23 THR A 43 37.630 14.204 16.568 1.00 1.00 H new ATOM 641 N THR A 44 35.604 14.869 15.658 1.00 1.00 N ATOM 642 CA THR A 44 35.107 16.178 16.066 1.00 1.00 C ATOM 643 C THR A 44 33.606 16.284 15.814 1.00 1.00 C ATOM 644 O THR A 44 32.891 16.968 16.546 1.00 1.00 O ATOM 645 CB THR A 44 35.835 17.278 15.289 1.00 1.00 C ATOM 646 OG1 THR A 44 37.141 17.445 15.821 1.00 1.00 O ATOM 647 CG2 THR A 44 35.060 18.590 15.410 1.00 1.00 C ATOM 0 H THR A 44 36.322 14.893 14.934 1.00 1.00 H new ATOM 0 HA THR A 44 35.295 16.301 17.133 1.00 1.00 H new ATOM 0 HB THR A 44 35.904 16.997 14.238 1.00 1.00 H new ATOM 0 HG1 THR A 44 37.609 18.148 15.324 1.00 1.00 H new ATOM 0 HG21 THR A 44 35.580 19.372 14.856 1.00 1.00 H new ATOM 0 HG22 THR A 44 34.058 18.460 15.000 1.00 1.00 H new ATOM 0 HG23 THR A 44 34.989 18.875 16.460 1.00 1.00 H new ATOM 655 N GLY A 45 33.136 15.601 14.776 1.00 1.00 N ATOM 656 CA GLY A 45 31.718 15.625 14.436 1.00 1.00 C ATOM 657 C GLY A 45 30.928 14.681 15.336 1.00 1.00 C ATOM 658 O GLY A 45 29.852 14.210 14.965 1.00 1.00 O ATOM 0 H GLY A 45 33.711 15.028 14.159 1.00 1.00 H new ATOM 0 HA2 GLY A 45 31.332 16.639 14.538 1.00 1.00 H new ATOM 0 HA3 GLY A 45 31.585 15.337 13.393 1.00 1.00 H new ATOM 662 N ASN A 46 31.467 14.409 16.520 1.00 1.00 N ATOM 663 CA ASN A 46 30.802 13.519 17.465 1.00 1.00 C ATOM 664 C ASN A 46 31.290 13.787 18.885 1.00 1.00 C ATOM 665 O ASN A 46 32.476 13.649 19.181 1.00 1.00 O ATOM 666 CB ASN A 46 31.080 12.061 17.094 1.00 1.00 C ATOM 667 CG ASN A 46 31.631 11.312 18.302 1.00 1.00 C ATOM 668 OD1 ASN A 46 32.914 11.325 18.538 1.00 1.00 O flip ATOM 669 ND2 ASN A 46 30.872 10.698 19.052 1.00 1.00 N flip ATOM 0 H ASN A 46 32.356 14.789 16.846 1.00 1.00 H new ATOM 0 HA ASN A 46 29.729 13.706 17.420 1.00 1.00 H new ATOM 0 HB2 ASN A 46 30.163 11.584 16.747 1.00 1.00 H new ATOM 0 HB3 ASN A 46 31.794 12.016 16.271 1.00 1.00 H new ATOM 0 HD21 ASN A 46 29.869 10.689 18.866 1.00 1.00 H new ATOM 0 HD22 ASN A 46 31.246 10.199 19.859 1.00 1.00 H new ATOM 676 N GLY A 47 30.365 14.168 19.761 1.00 1.00 N ATOM 677 CA GLY A 47 30.711 14.451 21.149 1.00 1.00 C ATOM 678 C GLY A 47 30.876 15.951 21.373 1.00 1.00 C ATOM 679 O GLY A 47 31.715 16.381 22.164 1.00 1.00 O ATOM 0 H GLY A 47 29.377 14.287 19.536 1.00 1.00 H new ATOM 0 HA2 GLY A 47 29.934 14.064 21.808 1.00 1.00 H new ATOM 0 HA3 GLY A 47 31.636 13.936 21.410 1.00 1.00 H new ATOM 683 N LEU A 48 30.069 16.741 20.673 1.00 1.00 N ATOM 684 CA LEU A 48 30.132 18.191 20.804 1.00 1.00 C ATOM 685 C LEU A 48 28.729 18.786 20.860 1.00 1.00 C ATOM 686 O LEU A 48 28.491 19.775 21.554 1.00 1.00 O ATOM 687 CB LEU A 48 30.895 18.789 19.619 1.00 1.00 C ATOM 688 CG LEU A 48 32.276 19.262 20.081 1.00 1.00 C ATOM 689 CD1 LEU A 48 33.143 19.572 18.859 1.00 1.00 C ATOM 690 CD2 LEU A 48 32.127 20.526 20.932 1.00 1.00 C ATOM 0 H LEU A 48 29.368 16.404 20.013 1.00 1.00 H new ATOM 0 HA LEU A 48 30.653 18.431 21.731 1.00 1.00 H new ATOM 0 HB2 LEU A 48 31.000 18.045 18.829 1.00 1.00 H new ATOM 0 HB3 LEU A 48 30.336 19.624 19.198 1.00 1.00 H new ATOM 0 HG LEU A 48 32.747 18.478 20.674 1.00 1.00 H new ATOM 0 HD11 LEU A 48 34.126 19.909 19.187 1.00 1.00 H new ATOM 0 HD12 LEU A 48 33.251 18.673 18.252 1.00 1.00 H new ATOM 0 HD13 LEU A 48 32.670 20.355 18.267 1.00 1.00 H new ATOM 0 HD21 LEU A 48 33.111 20.862 21.260 1.00 1.00 H new ATOM 0 HD22 LEU A 48 31.655 21.310 20.340 1.00 1.00 H new ATOM 0 HD23 LEU A 48 31.509 20.308 21.803 1.00 1.00 H new ATOM 702 N VAL A 49 27.805 18.179 20.124 1.00 1.00 N ATOM 703 CA VAL A 49 26.427 18.657 20.098 1.00 1.00 C ATOM 704 C VAL A 49 25.654 18.133 21.303 1.00 1.00 C ATOM 705 O VAL A 49 24.481 18.457 21.490 1.00 1.00 O ATOM 706 CB VAL A 49 25.740 18.200 18.810 1.00 1.00 C ATOM 707 CG1 VAL A 49 25.779 16.673 18.726 1.00 1.00 C ATOM 708 CG2 VAL A 49 24.284 18.672 18.815 1.00 1.00 C ATOM 0 H VAL A 49 27.982 17.361 19.541 1.00 1.00 H new ATOM 0 HA VAL A 49 26.440 19.746 20.136 1.00 1.00 H new ATOM 0 HB VAL A 49 26.258 18.625 17.951 1.00 1.00 H new ATOM 0 HG11 VAL A 49 25.290 16.346 17.808 1.00 1.00 H new ATOM 0 HG12 VAL A 49 26.815 16.335 18.725 1.00 1.00 H new ATOM 0 HG13 VAL A 49 25.260 16.248 19.585 1.00 1.00 H new ATOM 0 HG21 VAL A 49 23.793 18.347 17.898 1.00 1.00 H new ATOM 0 HG22 VAL A 49 23.766 18.246 19.674 1.00 1.00 H new ATOM 0 HG23 VAL A 49 24.254 19.760 18.877 1.00 1.00 H new ATOM 718 N LEU A 50 26.320 17.320 22.119 1.00 1.00 N ATOM 719 CA LEU A 50 25.688 16.754 23.305 1.00 1.00 C ATOM 720 C LEU A 50 26.614 16.864 24.513 1.00 1.00 C ATOM 721 O LEU A 50 26.262 16.446 25.616 1.00 1.00 O ATOM 722 CB LEU A 50 25.340 15.284 23.060 1.00 1.00 C ATOM 723 CG LEU A 50 26.623 14.490 22.811 1.00 1.00 C ATOM 724 CD1 LEU A 50 26.962 13.665 24.052 1.00 1.00 C ATOM 725 CD2 LEU A 50 26.419 13.555 21.617 1.00 1.00 C ATOM 0 H LEU A 50 27.291 17.040 21.981 1.00 1.00 H new ATOM 0 HA LEU A 50 24.776 17.315 23.509 1.00 1.00 H new ATOM 0 HB2 LEU A 50 24.809 14.877 23.920 1.00 1.00 H new ATOM 0 HB3 LEU A 50 24.673 15.195 22.203 1.00 1.00 H new ATOM 0 HG LEU A 50 27.441 15.178 22.599 1.00 1.00 H new ATOM 0 HD11 LEU A 50 27.877 13.099 23.874 1.00 1.00 H new ATOM 0 HD12 LEU A 50 27.107 14.331 24.903 1.00 1.00 H new ATOM 0 HD13 LEU A 50 26.145 12.976 24.265 1.00 1.00 H new ATOM 0 HD21 LEU A 50 27.333 12.988 21.438 1.00 1.00 H new ATOM 0 HD22 LEU A 50 25.601 12.867 21.829 1.00 1.00 H new ATOM 0 HD23 LEU A 50 26.178 14.143 20.731 1.00 1.00 H new ATOM 737 N TRP A 51 27.797 17.431 24.296 1.00 1.00 N ATOM 738 CA TRP A 51 28.765 17.591 25.375 1.00 1.00 C ATOM 739 C TRP A 51 28.764 19.029 25.884 1.00 1.00 C ATOM 740 O TRP A 51 28.112 19.345 26.878 1.00 1.00 O ATOM 741 CB TRP A 51 30.165 17.222 24.880 1.00 1.00 C ATOM 742 CG TRP A 51 31.190 17.887 25.741 1.00 1.00 C ATOM 743 CD1 TRP A 51 31.146 17.951 27.092 1.00 1.00 C ATOM 744 CD2 TRP A 51 32.407 18.580 25.337 1.00 1.00 C ATOM 745 NE1 TRP A 51 32.259 18.640 27.542 1.00 1.00 N ATOM 746 CE2 TRP A 51 33.065 19.048 26.499 1.00 1.00 C ATOM 747 CE3 TRP A 51 32.996 18.845 24.088 1.00 1.00 C ATOM 748 CZ2 TRP A 51 34.266 19.754 26.423 1.00 1.00 C ATOM 749 CZ3 TRP A 51 34.205 19.555 24.009 1.00 1.00 C ATOM 750 CH2 TRP A 51 34.839 20.009 25.174 1.00 1.00 C ATOM 0 H TRP A 51 28.106 17.785 23.391 1.00 1.00 H new ATOM 0 HA TRP A 51 28.484 16.928 26.193 1.00 1.00 H new ATOM 0 HB2 TRP A 51 30.298 16.141 24.907 1.00 1.00 H new ATOM 0 HB3 TRP A 51 30.289 17.533 23.843 1.00 1.00 H new ATOM 0 HD1 TRP A 51 30.370 17.533 27.716 1.00 1.00 H new ATOM 0 HE1 TRP A 51 32.459 18.824 28.525 1.00 1.00 H new ATOM 0 HE3 TRP A 51 32.516 18.500 23.184 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 34.750 20.101 27.324 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 34.649 19.753 23.045 1.00 1.00 H new ATOM 0 HH2 TRP A 51 35.768 20.555 25.106 1.00 1.00 H new ATOM 761 N THR A 52 29.501 19.895 25.196 1.00 1.00 N ATOM 762 CA THR A 52 29.577 21.298 25.587 1.00 1.00 C ATOM 763 C THR A 52 28.192 21.936 25.562 1.00 1.00 C ATOM 764 O THR A 52 27.992 23.030 26.088 1.00 1.00 O ATOM 765 CB THR A 52 30.509 22.055 24.639 1.00 1.00 C ATOM 766 OG1 THR A 52 31.035 23.195 25.305 1.00 1.00 O ATOM 767 CG2 THR A 52 29.730 22.499 23.401 1.00 1.00 C ATOM 0 H THR A 52 30.050 19.653 24.371 1.00 1.00 H new ATOM 0 HA THR A 52 29.971 21.353 26.602 1.00 1.00 H new ATOM 0 HB THR A 52 31.327 21.402 24.335 1.00 1.00 H new ATOM 0 HG1 THR A 52 31.634 23.680 24.700 1.00 1.00 H new ATOM 0 HG21 THR A 52 30.395 23.038 22.727 1.00 1.00 H new ATOM 0 HG22 THR A 52 29.328 21.624 22.891 1.00 1.00 H new ATOM 0 HG23 THR A 52 28.911 23.152 23.702 1.00 1.00 H new ATOM 775 N VAL A 53 27.239 21.243 24.945 1.00 1.00 N ATOM 776 CA VAL A 53 25.875 21.751 24.855 1.00 1.00 C ATOM 777 C VAL A 53 25.199 21.712 26.222 1.00 1.00 C ATOM 778 O VAL A 53 24.597 22.695 26.656 1.00 1.00 O ATOM 779 CB VAL A 53 25.070 20.912 23.862 1.00 1.00 C ATOM 780 CG1 VAL A 53 23.576 21.081 24.142 1.00 1.00 C ATOM 781 CG2 VAL A 53 25.377 21.379 22.437 1.00 1.00 C ATOM 0 H VAL A 53 27.385 20.335 24.503 1.00 1.00 H new ATOM 0 HA VAL A 53 25.913 22.784 24.510 1.00 1.00 H new ATOM 0 HB VAL A 53 25.342 19.862 23.969 1.00 1.00 H new ATOM 0 HG11 VAL A 53 23.003 20.483 23.434 1.00 1.00 H new ATOM 0 HG12 VAL A 53 23.356 20.750 25.157 1.00 1.00 H new ATOM 0 HG13 VAL A 53 23.302 22.131 24.035 1.00 1.00 H new ATOM 0 HG21 VAL A 53 24.804 20.782 21.727 1.00 1.00 H new ATOM 0 HG22 VAL A 53 25.104 22.429 22.332 1.00 1.00 H new ATOM 0 HG23 VAL A 53 26.442 21.259 22.236 1.00 1.00 H new ATOM 791 N PHE A 54 25.303 20.572 26.897 1.00 1.00 N ATOM 792 CA PHE A 54 24.696 20.417 28.213 1.00 1.00 C ATOM 793 C PHE A 54 25.083 21.580 29.122 1.00 1.00 C ATOM 794 O PHE A 54 24.264 22.075 29.895 1.00 1.00 O ATOM 795 CB PHE A 54 25.150 19.100 28.845 1.00 1.00 C ATOM 796 CG PHE A 54 23.972 18.429 29.513 1.00 1.00 C ATOM 797 CD1 PHE A 54 23.671 18.714 30.850 1.00 1.00 C ATOM 798 CD2 PHE A 54 23.183 17.524 28.795 1.00 1.00 C ATOM 799 CE1 PHE A 54 22.580 18.092 31.469 1.00 1.00 C ATOM 800 CE2 PHE A 54 22.092 16.902 29.414 1.00 1.00 C ATOM 801 CZ PHE A 54 21.790 17.187 30.751 1.00 1.00 C ATOM 0 H PHE A 54 25.798 19.748 26.557 1.00 1.00 H new ATOM 0 HA PHE A 54 23.613 20.409 28.094 1.00 1.00 H new ATOM 0 HB2 PHE A 54 25.571 18.445 28.083 1.00 1.00 H new ATOM 0 HB3 PHE A 54 25.938 19.287 29.575 1.00 1.00 H new ATOM 0 HD1 PHE A 54 24.280 19.413 31.404 1.00 1.00 H new ATOM 0 HD2 PHE A 54 23.415 17.305 27.763 1.00 1.00 H new ATOM 0 HE1 PHE A 54 22.348 18.311 32.501 1.00 1.00 H new ATOM 0 HE2 PHE A 54 21.483 16.202 28.860 1.00 1.00 H new ATOM 0 HZ PHE A 54 20.948 16.709 31.228 1.00 1.00 H new ATOM 811 N ARG A 55 26.337 22.009 29.024 1.00 1.00 N ATOM 812 CA ARG A 55 26.822 23.114 29.841 1.00 1.00 C ATOM 813 C ARG A 55 26.388 24.451 29.248 1.00 1.00 C ATOM 814 O ARG A 55 26.123 25.408 29.975 1.00 1.00 O ATOM 815 CB ARG A 55 28.348 23.066 29.934 1.00 1.00 C ATOM 816 CG ARG A 55 28.778 21.758 30.602 1.00 1.00 C ATOM 817 CD ARG A 55 29.706 20.986 29.664 1.00 1.00 C ATOM 818 NE ARG A 55 30.206 19.785 30.323 1.00 1.00 N ATOM 819 CZ ARG A 55 31.188 19.849 31.216 1.00 1.00 C ATOM 820 NH1 ARG A 55 31.723 21.002 31.516 1.00 1.00 N ATOM 821 NH2 ARG A 55 31.618 18.762 31.793 1.00 1.00 N ATOM 0 H ARG A 55 27.031 21.611 28.391 1.00 1.00 H new ATOM 0 HA ARG A 55 26.395 23.017 30.839 1.00 1.00 H new ATOM 0 HB2 ARG A 55 28.786 23.139 28.939 1.00 1.00 H new ATOM 0 HB3 ARG A 55 28.715 23.917 30.507 1.00 1.00 H new ATOM 0 HG2 ARG A 55 29.287 21.968 31.542 1.00 1.00 H new ATOM 0 HG3 ARG A 55 27.902 21.155 30.842 1.00 1.00 H new ATOM 0 HD2 ARG A 55 29.171 20.714 28.754 1.00 1.00 H new ATOM 0 HD3 ARG A 55 30.541 21.619 29.365 1.00 1.00 H new ATOM 0 HE ARG A 55 29.795 18.880 30.094 1.00 1.00 H new ATOM 0 HH11 ARG A 55 31.387 21.853 31.065 1.00 1.00 H new ATOM 0 HH12 ARG A 55 32.477 21.052 32.201 1.00 1.00 H new ATOM 0 HH21 ARG A 55 31.201 17.861 31.559 1.00 1.00 H new ATOM 0 HH22 ARG A 55 32.372 18.812 32.478 1.00 1.00 H new ATOM 835 N LYS A 56 26.320 24.509 27.922 1.00 1.00 N ATOM 836 CA LYS A 56 25.918 25.734 27.240 1.00 1.00 C ATOM 837 C LYS A 56 24.507 26.139 27.654 1.00 1.00 C ATOM 838 O LYS A 56 24.273 27.274 28.069 1.00 1.00 O ATOM 839 CB LYS A 56 25.969 25.528 25.725 1.00 1.00 C ATOM 840 CG LYS A 56 25.893 26.886 25.023 1.00 1.00 C ATOM 841 CD LYS A 56 27.278 27.269 24.502 1.00 1.00 C ATOM 842 CE LYS A 56 27.288 28.751 24.118 1.00 1.00 C ATOM 843 NZ LYS A 56 25.965 29.122 23.542 1.00 1.00 N ATOM 0 H LYS A 56 26.536 23.728 27.302 1.00 1.00 H new ATOM 0 HA LYS A 56 26.609 26.529 27.522 1.00 1.00 H new ATOM 0 HB2 LYS A 56 26.890 25.014 25.448 1.00 1.00 H new ATOM 0 HB3 LYS A 56 25.142 24.894 25.405 1.00 1.00 H new ATOM 0 HG2 LYS A 56 25.182 26.842 24.198 1.00 1.00 H new ATOM 0 HG3 LYS A 56 25.530 27.646 25.716 1.00 1.00 H new ATOM 0 HD2 LYS A 56 28.032 27.075 25.265 1.00 1.00 H new ATOM 0 HD3 LYS A 56 27.535 26.657 23.638 1.00 1.00 H new ATOM 0 HE2 LYS A 56 27.500 29.364 24.994 1.00 1.00 H new ATOM 0 HE3 LYS A 56 28.079 28.945 23.394 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 26.051 30.020 23.024 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 25.648 28.376 22.890 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 25.271 29.230 24.309 1.00 1.00 H new ATOM 857 N LYS A 57 23.570 25.203 27.539 1.00 1.00 N ATOM 858 CA LYS A 57 22.184 25.474 27.904 1.00 1.00 C ATOM 859 C LYS A 57 22.100 25.993 29.336 1.00 1.00 C ATOM 860 O LYS A 57 21.186 26.743 29.682 1.00 1.00 O ATOM 861 CB LYS A 57 21.350 24.199 27.771 1.00 1.00 C ATOM 862 CG LYS A 57 20.065 24.341 28.588 1.00 1.00 C ATOM 863 CD LYS A 57 19.013 23.363 28.062 1.00 1.00 C ATOM 864 CE LYS A 57 17.792 23.382 28.982 1.00 1.00 C ATOM 865 NZ LYS A 57 16.562 23.129 28.180 1.00 1.00 N ATOM 0 H LYS A 57 23.743 24.257 27.199 1.00 1.00 H new ATOM 0 HA LYS A 57 21.792 26.235 27.230 1.00 1.00 H new ATOM 0 HB2 LYS A 57 21.109 24.017 26.724 1.00 1.00 H new ATOM 0 HB3 LYS A 57 21.922 23.340 28.120 1.00 1.00 H new ATOM 0 HG2 LYS A 57 20.267 24.142 29.640 1.00 1.00 H new ATOM 0 HG3 LYS A 57 19.691 25.363 28.523 1.00 1.00 H new ATOM 0 HD2 LYS A 57 18.722 23.637 27.048 1.00 1.00 H new ATOM 0 HD3 LYS A 57 19.429 22.357 28.013 1.00 1.00 H new ATOM 0 HE2 LYS A 57 17.896 22.623 29.758 1.00 1.00 H new ATOM 0 HE3 LYS A 57 17.718 24.345 29.486 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 15.731 23.142 28.805 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 16.462 23.869 27.456 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 16.634 22.200 27.718 1.00 1.00 H new ATOM 879 N GLY A 58 23.057 25.589 30.164 1.00 1.00 N ATOM 880 CA GLY A 58 23.080 26.020 31.557 1.00 1.00 C ATOM 881 C GLY A 58 21.840 25.533 32.298 1.00 1.00 C ATOM 882 O GLY A 58 21.910 24.605 33.103 1.00 1.00 O ATOM 0 H GLY A 58 23.822 24.969 29.898 1.00 1.00 H new ATOM 0 HA2 GLY A 58 23.975 25.636 32.046 1.00 1.00 H new ATOM 0 HA3 GLY A 58 23.133 27.108 31.604 1.00 1.00 H new ATOM 886 N HIS A 59 20.704 26.165 32.020 1.00 1.00 N ATOM 887 CA HIS A 59 19.453 25.788 32.668 1.00 1.00 C ATOM 888 C HIS A 59 18.266 26.100 31.762 1.00 1.00 C ATOM 889 O HIS A 59 18.430 26.321 30.563 1.00 1.00 O ATOM 890 CB HIS A 59 19.301 26.542 33.991 1.00 1.00 C ATOM 891 CG HIS A 59 18.959 27.980 33.712 1.00 1.00 C ATOM 892 ND1 HIS A 59 19.272 28.812 32.665 1.00 1.00 N flip ATOM 893 CD2 HIS A 59 18.192 28.739 34.582 1.00 1.00 C flip ATOM 894 CE1 HIS A 59 18.710 30.066 32.880 1.00 1.00 C flip ATOM 895 NE2 HIS A 59 18.070 29.968 34.047 1.00 1.00 N flip ATOM 0 H HIS A 59 20.624 26.935 31.356 1.00 1.00 H new ATOM 0 HA HIS A 59 19.475 24.716 32.863 1.00 1.00 H new ATOM 0 HB2 HIS A 59 18.520 26.082 34.596 1.00 1.00 H new ATOM 0 HB3 HIS A 59 20.226 26.482 34.565 1.00 1.00 H new ATOM 0 HD2 HIS A 59 17.769 28.405 35.518 1.00 1.00 H new ATOM 0 HE1 HIS A 59 18.777 30.933 32.240 1.00 1.00 H new ATOM 0 HE2 HIS A 59 17.551 30.732 34.481 1.00 1.00 H new ATOM 903 N HIS A 60 17.071 26.117 32.345 1.00 1.00 N ATOM 904 CA HIS A 60 15.863 26.403 31.581 1.00 1.00 C ATOM 905 C HIS A 60 16.106 27.552 30.607 1.00 1.00 C ATOM 906 O HIS A 60 16.401 28.674 31.017 1.00 1.00 O ATOM 907 CB HIS A 60 14.720 26.768 32.529 1.00 1.00 C ATOM 908 CG HIS A 60 13.403 26.484 31.858 1.00 1.00 C ATOM 909 ND1 HIS A 60 12.992 27.161 30.720 1.00 1.00 N ATOM 910 CD2 HIS A 60 12.394 25.602 32.153 1.00 1.00 C ATOM 911 CE1 HIS A 60 11.785 26.679 30.376 1.00 1.00 C ATOM 912 NE2 HIS A 60 11.373 25.726 31.216 1.00 1.00 N ATOM 0 H HIS A 60 16.914 25.937 33.337 1.00 1.00 H new ATOM 0 HA HIS A 60 15.594 25.512 31.014 1.00 1.00 H new ATOM 0 HB2 HIS A 60 14.801 26.194 33.452 1.00 1.00 H new ATOM 0 HB3 HIS A 60 14.782 27.821 32.802 1.00 1.00 H new ATOM 0 HD2 HIS A 60 12.393 24.915 32.987 1.00 1.00 H new ATOM 0 HE1 HIS A 60 11.217 27.021 29.523 1.00 1.00 H new ATOM 0 HE2 HIS A 60 10.499 25.202 31.179 1.00 1.00 H new ATOM 920 N HIS A 61 15.977 27.264 29.316 1.00 1.00 N ATOM 921 CA HIS A 61 16.184 28.281 28.292 1.00 1.00 C ATOM 922 C HIS A 61 15.543 29.601 28.711 1.00 1.00 C ATOM 923 O HIS A 61 16.192 30.648 28.701 1.00 1.00 O ATOM 924 CB HIS A 61 15.580 27.818 26.964 1.00 1.00 C ATOM 925 CG HIS A 61 15.797 28.876 25.918 1.00 1.00 C ATOM 926 ND1 HIS A 61 14.864 29.136 24.926 1.00 1.00 N ATOM 927 CD2 HIS A 61 16.834 29.747 25.695 1.00 1.00 C ATOM 928 CE1 HIS A 61 15.353 30.127 24.160 1.00 1.00 C ATOM 929 NE2 HIS A 61 16.551 30.537 24.585 1.00 1.00 N ATOM 0 H HIS A 61 15.732 26.342 28.956 1.00 1.00 H new ATOM 0 HA HIS A 61 17.256 28.432 28.169 1.00 1.00 H new ATOM 0 HB2 HIS A 61 16.040 26.881 26.650 1.00 1.00 H new ATOM 0 HB3 HIS A 61 14.514 27.624 27.085 1.00 1.00 H new ATOM 0 HD2 HIS A 61 17.733 29.810 26.290 1.00 1.00 H new ATOM 0 HE1 HIS A 61 14.839 30.541 23.305 1.00 1.00 H new ATOM 0 HE2 HIS A 61 17.133 31.271 24.182 1.00 1.00 H new ATOM 937 N HIS A 62 14.268 29.543 29.078 1.00 1.00 N ATOM 938 CA HIS A 62 13.549 30.741 29.498 1.00 1.00 C ATOM 939 C HIS A 62 13.532 31.776 28.378 1.00 1.00 C ATOM 940 O HIS A 62 13.733 31.444 27.210 1.00 1.00 O ATOM 941 CB HIS A 62 14.214 31.340 30.739 1.00 1.00 C ATOM 942 CG HIS A 62 13.157 31.862 31.672 1.00 1.00 C ATOM 943 ND1 HIS A 62 12.022 32.513 31.214 1.00 1.00 N ATOM 944 CD2 HIS A 62 13.047 31.835 33.041 1.00 1.00 C ATOM 945 CE1 HIS A 62 11.285 32.849 32.289 1.00 1.00 C ATOM 946 NE2 HIS A 62 11.865 32.459 33.428 1.00 1.00 N ATOM 0 H HIS A 62 13.714 28.687 29.094 1.00 1.00 H new ATOM 0 HA HIS A 62 12.522 30.462 29.735 1.00 1.00 H new ATOM 0 HB2 HIS A 62 14.817 30.584 31.242 1.00 1.00 H new ATOM 0 HB3 HIS A 62 14.889 32.146 30.450 1.00 1.00 H new ATOM 0 HD2 HIS A 62 13.768 31.396 33.715 1.00 1.00 H new ATOM 0 HE1 HIS A 62 10.340 33.370 32.237 1.00 1.00 H new ATOM 0 HE2 HIS A 62 11.516 32.591 34.377 1.00 1.00 H new ATOM 954 N HIS A 63 13.288 33.031 28.742 1.00 1.00 N ATOM 955 CA HIS A 63 13.246 34.107 27.759 1.00 1.00 C ATOM 956 C HIS A 63 13.218 35.465 28.452 1.00 1.00 C ATOM 957 O HIS A 63 12.474 36.361 28.054 1.00 1.00 O ATOM 958 CB HIS A 63 12.007 33.957 26.874 1.00 1.00 C ATOM 959 CG HIS A 63 10.781 33.868 27.740 1.00 1.00 C ATOM 960 ND1 HIS A 63 10.291 34.957 28.443 1.00 1.00 N ATOM 961 CD2 HIS A 63 9.934 32.825 28.027 1.00 1.00 C ATOM 962 CE1 HIS A 63 9.196 34.550 29.112 1.00 1.00 C ATOM 963 NE2 HIS A 63 8.934 33.259 28.892 1.00 1.00 N ATOM 0 H HIS A 63 13.118 33.326 29.703 1.00 1.00 H new ATOM 0 HA HIS A 63 14.142 34.046 27.142 1.00 1.00 H new ATOM 0 HB2 HIS A 63 11.926 34.807 26.196 1.00 1.00 H new ATOM 0 HB3 HIS A 63 12.094 33.064 26.256 1.00 1.00 H new ATOM 0 HD1 HIS A 63 10.688 35.897 28.452 1.00 1.00 H new ATOM 0 HD2 HIS A 63 10.030 31.821 27.640 1.00 1.00 H new ATOM 0 HE1 HIS A 63 8.602 35.189 29.749 1.00 1.00 H new ATOM 971 N HIS A 64 14.034 35.611 29.490 1.00 1.00 N ATOM 972 CA HIS A 64 14.095 36.865 30.232 1.00 1.00 C ATOM 973 C HIS A 64 14.554 38.002 29.324 1.00 1.00 C ATOM 974 O HIS A 64 14.000 39.083 29.436 1.00 1.00 O ATOM 975 CB HIS A 64 15.060 36.729 31.410 1.00 1.00 C ATOM 976 CG HIS A 64 15.282 38.078 32.036 1.00 1.00 C ATOM 977 ND1 HIS A 64 14.360 38.656 32.895 1.00 1.00 N ATOM 978 CD2 HIS A 64 16.315 38.977 31.938 1.00 1.00 C ATOM 979 CE1 HIS A 64 14.850 39.848 33.277 1.00 1.00 C ATOM 980 NE2 HIS A 64 16.041 40.094 32.722 1.00 1.00 N ATOM 981 OXT HIS A 64 15.453 37.775 28.532 1.00 1.00 O ATOM 0 H HIS A 64 14.658 34.882 29.835 1.00 1.00 H new ATOM 0 HA HIS A 64 13.097 37.093 30.606 1.00 1.00 H new ATOM 0 HB2 HIS A 64 14.655 36.036 32.148 1.00 1.00 H new ATOM 0 HB3 HIS A 64 16.009 36.314 31.070 1.00 1.00 H new ATOM 0 HD2 HIS A 64 17.205 38.838 31.343 1.00 1.00 H new ATOM 0 HE1 HIS A 64 14.344 40.524 33.950 1.00 1.00 H new ATOM 0 HE2 HIS A 64 16.624 40.922 32.846 1.00 1.00 H new TER 989 HIS A 64