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 Set 1.1: A 60 HIS :FLIP no HD1:sc= -0.108 F(o=-1.4,f=-0.13) USER MOD Set 1.2: A 61 HIS :FLIP no HD1:sc= -0.0205 X(o=-0.56,f=-0.13) USER MOD Set 2.1: A 16 GLN : amide:sc= -7.51! C(o=-6.7!,f=-11!) USER MOD Set 2.2: A 17 SER OG : rot 83:sc= 0.835 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -134:sc= -0.0602 (180deg=-1.2!) USER MOD Single : A 9 ASN : amide:sc= -0.109 K(o=-0.11,f=-1.9!) 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= -0.756 X(o=-0.76,f=-0.97) 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 USER MOD Single : A 25 LYS NZ :NH3+ -151:sc= -0.239 (180deg=-1.37!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 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 -141:sc= -0.712! USER MOD Single : A 44 THR OG1 : rot -63:sc= 1.2 USER MOD Single : A 46 ASN : amide:sc= -0.112 K(o=-0.11,f=-2!) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 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= -0.0108 X(o=-0.011,f=-0.0018) USER MOD Single : A 62 HIS : no HD1:sc= -2.01 K(o=-2,f=-8!) USER MOD Single : A 63 HIS : no HD1:sc= -0.173 X(o=-0.17,f=0) USER MOD Single : A 64 HIS :FLIP no HD1:sc= -0.242 F(o=-0.96,f=-0.24) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 69.861 -25.949 31.037 1.00 1.00 N ATOM 2 CA MET A 1 69.776 -27.358 31.514 1.00 1.00 C ATOM 3 C MET A 1 68.521 -28.010 30.944 1.00 1.00 C ATOM 4 O MET A 1 67.754 -27.376 30.221 1.00 1.00 O ATOM 5 CB MET A 1 69.723 -27.373 33.044 1.00 1.00 C ATOM 6 CG MET A 1 70.967 -26.680 33.604 1.00 1.00 C ATOM 7 SD MET A 1 72.019 -27.903 34.425 1.00 1.00 S ATOM 8 CE MET A 1 71.124 -27.955 35.996 1.00 1.00 C ATOM 0 H1 MET A 1 70.828 -25.751 30.709 1.00 1.00 H new ATOM 0 H2 MET A 1 69.193 -25.807 30.252 1.00 1.00 H new ATOM 0 H3 MET A 1 69.621 -25.304 31.816 1.00 1.00 H new ATOM 0 HA MET A 1 70.652 -27.914 31.180 1.00 1.00 H new ATOM 0 HB2 MET A 1 68.823 -26.866 33.392 1.00 1.00 H new ATOM 0 HB3 MET A 1 69.671 -28.400 33.407 1.00 1.00 H new ATOM 0 HG2 MET A 1 71.518 -26.192 32.800 1.00 1.00 H new ATOM 0 HG3 MET A 1 70.676 -25.902 34.310 1.00 1.00 H new ATOM 0 HE1 MET A 1 71.610 -28.661 36.669 1.00 1.00 H new ATOM 0 HE2 MET A 1 71.125 -26.963 36.449 1.00 1.00 H new ATOM 0 HE3 MET A 1 70.096 -28.272 35.819 1.00 1.00 H new ATOM 20 N GLU A 2 68.320 -29.282 31.273 1.00 1.00 N ATOM 21 CA GLU A 2 67.154 -30.011 30.788 1.00 1.00 C ATOM 22 C GLU A 2 66.084 -30.092 31.871 1.00 1.00 C ATOM 23 O GLU A 2 65.806 -31.167 32.403 1.00 1.00 O ATOM 24 CB GLU A 2 67.562 -31.423 30.363 1.00 1.00 C ATOM 25 CG GLU A 2 68.578 -31.342 29.223 1.00 1.00 C ATOM 26 CD GLU A 2 69.080 -32.737 28.870 1.00 1.00 C ATOM 27 OE1 GLU A 2 69.540 -33.424 29.767 1.00 1.00 O ATOM 28 OE2 GLU A 2 68.997 -33.099 27.708 1.00 1.00 O ATOM 0 H GLU A 2 68.944 -29.826 31.869 1.00 1.00 H new ATOM 0 HA GLU A 2 66.745 -29.477 29.930 1.00 1.00 H new ATOM 0 HB2 GLU A 2 67.992 -31.958 31.209 1.00 1.00 H new ATOM 0 HB3 GLU A 2 66.685 -31.985 30.043 1.00 1.00 H new ATOM 0 HG2 GLU A 2 68.119 -30.880 28.349 1.00 1.00 H new ATOM 0 HG3 GLU A 2 69.415 -30.709 29.516 1.00 1.00 H new ATOM 35 N GLU A 3 65.485 -28.950 32.191 1.00 1.00 N ATOM 36 CA GLU A 3 64.445 -28.903 33.212 1.00 1.00 C ATOM 37 C GLU A 3 63.063 -28.957 32.572 1.00 1.00 C ATOM 38 O GLU A 3 62.048 -29.038 33.267 1.00 1.00 O ATOM 39 CB GLU A 3 64.579 -27.621 34.037 1.00 1.00 C ATOM 40 CG GLU A 3 65.440 -27.895 35.271 1.00 1.00 C ATOM 41 CD GLU A 3 65.949 -26.580 35.853 1.00 1.00 C ATOM 42 OE1 GLU A 3 65.289 -25.573 35.656 1.00 1.00 O ATOM 43 OE2 GLU A 3 66.991 -26.599 36.487 1.00 1.00 O ATOM 0 H GLU A 3 65.700 -28.050 31.761 1.00 1.00 H new ATOM 0 HA GLU A 3 64.564 -29.768 33.865 1.00 1.00 H new ATOM 0 HB2 GLU A 3 65.030 -26.833 33.434 1.00 1.00 H new ATOM 0 HB3 GLU A 3 63.594 -27.266 34.340 1.00 1.00 H new ATOM 0 HG2 GLU A 3 64.857 -28.432 36.019 1.00 1.00 H new ATOM 0 HG3 GLU A 3 66.282 -28.534 35.003 1.00 1.00 H new ATOM 50 N GLY A 4 63.028 -28.912 31.245 1.00 1.00 N ATOM 51 CA GLY A 4 61.762 -28.957 30.521 1.00 1.00 C ATOM 52 C GLY A 4 61.876 -29.835 29.279 1.00 1.00 C ATOM 53 O GLY A 4 62.488 -30.902 29.315 1.00 1.00 O ATOM 0 H GLY A 4 63.855 -28.845 30.652 1.00 1.00 H new ATOM 0 HA2 GLY A 4 60.979 -29.343 31.174 1.00 1.00 H new ATOM 0 HA3 GLY A 4 61.468 -27.948 30.232 1.00 1.00 H new ATOM 57 N GLY A 5 61.282 -29.378 28.181 1.00 1.00 N ATOM 58 CA GLY A 5 61.322 -30.131 26.933 1.00 1.00 C ATOM 59 C GLY A 5 62.390 -29.575 25.996 1.00 1.00 C ATOM 60 O GLY A 5 62.234 -28.489 25.439 1.00 1.00 O ATOM 0 H GLY A 5 60.771 -28.497 28.130 1.00 1.00 H new ATOM 0 HA2 GLY A 5 61.528 -31.181 27.143 1.00 1.00 H new ATOM 0 HA3 GLY A 5 60.348 -30.088 26.446 1.00 1.00 H new ATOM 64 N ASP A 6 63.471 -30.327 25.827 1.00 1.00 N ATOM 65 CA ASP A 6 64.559 -29.899 24.955 1.00 1.00 C ATOM 66 C ASP A 6 64.339 -30.411 23.534 1.00 1.00 C ATOM 67 O ASP A 6 65.280 -30.508 22.746 1.00 1.00 O ATOM 68 CB ASP A 6 65.894 -30.423 25.487 1.00 1.00 C ATOM 69 CG ASP A 6 66.001 -31.924 25.240 1.00 1.00 C ATOM 70 OD1 ASP A 6 65.501 -32.676 26.060 1.00 1.00 O ATOM 71 OD2 ASP A 6 66.581 -32.299 24.235 1.00 1.00 O ATOM 0 H ASP A 6 63.618 -31.230 26.278 1.00 1.00 H new ATOM 0 HA ASP A 6 64.578 -28.809 24.939 1.00 1.00 H new ATOM 0 HB2 ASP A 6 66.719 -29.906 24.996 1.00 1.00 H new ATOM 0 HB3 ASP A 6 65.977 -30.215 26.554 1.00 1.00 H new ATOM 76 N PHE A 7 63.091 -30.737 23.215 1.00 1.00 N ATOM 77 CA PHE A 7 62.759 -31.237 21.886 1.00 1.00 C ATOM 78 C PHE A 7 61.349 -30.811 21.490 1.00 1.00 C ATOM 79 O PHE A 7 60.503 -31.647 21.174 1.00 1.00 O ATOM 80 CB PHE A 7 62.857 -32.764 21.864 1.00 1.00 C ATOM 81 CG PHE A 7 62.125 -33.333 23.054 1.00 1.00 C ATOM 82 CD1 PHE A 7 62.690 -33.246 24.333 1.00 1.00 C ATOM 83 CD2 PHE A 7 60.880 -33.950 22.882 1.00 1.00 C ATOM 84 CE1 PHE A 7 62.011 -33.773 25.437 1.00 1.00 C ATOM 85 CE2 PHE A 7 60.201 -34.478 23.986 1.00 1.00 C ATOM 86 CZ PHE A 7 60.766 -34.389 25.264 1.00 1.00 C ATOM 0 H PHE A 7 62.298 -30.665 23.853 1.00 1.00 H new ATOM 0 HA PHE A 7 63.467 -30.816 21.172 1.00 1.00 H new ATOM 0 HB2 PHE A 7 62.429 -33.153 20.940 1.00 1.00 H new ATOM 0 HB3 PHE A 7 63.902 -33.072 21.885 1.00 1.00 H new ATOM 0 HD1 PHE A 7 63.651 -32.772 24.467 1.00 1.00 H new ATOM 0 HD2 PHE A 7 60.443 -34.019 21.897 1.00 1.00 H new ATOM 0 HE1 PHE A 7 62.447 -33.705 26.423 1.00 1.00 H new ATOM 0 HE2 PHE A 7 59.241 -34.954 23.852 1.00 1.00 H new ATOM 0 HZ PHE A 7 60.241 -34.795 26.116 1.00 1.00 H new ATOM 96 N ASP A 8 61.105 -29.505 21.509 1.00 1.00 N ATOM 97 CA ASP A 8 59.794 -28.978 21.149 1.00 1.00 C ATOM 98 C ASP A 8 59.937 -27.724 20.293 1.00 1.00 C ATOM 99 O ASP A 8 59.261 -26.722 20.523 1.00 1.00 O ATOM 100 CB ASP A 8 59.000 -28.646 22.414 1.00 1.00 C ATOM 101 CG ASP A 8 57.520 -28.501 22.076 1.00 1.00 C ATOM 102 OD1 ASP A 8 57.223 -28.091 20.966 1.00 1.00 O ATOM 103 OD2 ASP A 8 56.705 -28.802 22.932 1.00 1.00 O ATOM 0 H ASP A 8 61.792 -28.797 21.768 1.00 1.00 H new ATOM 0 HA ASP A 8 59.263 -29.737 20.575 1.00 1.00 H new ATOM 0 HB2 ASP A 8 59.137 -29.432 23.156 1.00 1.00 H new ATOM 0 HB3 ASP A 8 59.373 -27.722 22.856 1.00 1.00 H new ATOM 108 N ASN A 9 60.823 -27.787 19.304 1.00 1.00 N ATOM 109 CA ASN A 9 61.046 -26.651 18.418 1.00 1.00 C ATOM 110 C ASN A 9 61.190 -27.117 16.973 1.00 1.00 C ATOM 111 O ASN A 9 60.299 -26.904 16.151 1.00 1.00 O ATOM 112 CB ASN A 9 62.310 -25.900 18.842 1.00 1.00 C ATOM 113 CG ASN A 9 62.329 -24.512 18.209 1.00 1.00 C ATOM 114 OD1 ASN A 9 61.277 -23.966 17.877 1.00 1.00 O ATOM 115 ND2 ASN A 9 63.469 -23.906 18.020 1.00 1.00 N ATOM 0 H ASN A 9 61.394 -28.606 19.097 1.00 1.00 H new ATOM 0 HA ASN A 9 60.186 -25.985 18.488 1.00 1.00 H new ATOM 0 HB2 ASN A 9 62.345 -25.814 19.928 1.00 1.00 H new ATOM 0 HB3 ASN A 9 63.195 -26.460 18.538 1.00 1.00 H new ATOM 0 HD21 ASN A 9 63.489 -22.978 17.597 1.00 1.00 H new ATOM 0 HD22 ASN A 9 64.340 -24.360 18.296 1.00 1.00 H new ATOM 122 N TYR A 10 62.317 -27.754 16.670 1.00 1.00 N ATOM 123 CA TYR A 10 62.565 -28.246 15.321 1.00 1.00 C ATOM 124 C TYR A 10 63.382 -29.534 15.361 1.00 1.00 C ATOM 125 O TYR A 10 63.843 -30.018 14.328 1.00 1.00 O ATOM 126 CB TYR A 10 63.316 -27.188 14.509 1.00 1.00 C ATOM 127 CG TYR A 10 63.434 -27.645 13.074 1.00 1.00 C ATOM 128 CD1 TYR A 10 62.319 -27.597 12.230 1.00 1.00 C ATOM 129 CD2 TYR A 10 64.660 -28.115 12.588 1.00 1.00 C ATOM 130 CE1 TYR A 10 62.427 -28.020 10.900 1.00 1.00 C ATOM 131 CE2 TYR A 10 64.770 -28.538 11.258 1.00 1.00 C ATOM 132 CZ TYR A 10 63.654 -28.490 10.414 1.00 1.00 C ATOM 133 OH TYR A 10 63.762 -28.907 9.103 1.00 1.00 O ATOM 0 H TYR A 10 63.067 -27.940 17.335 1.00 1.00 H new ATOM 0 HA TYR A 10 61.605 -28.453 14.848 1.00 1.00 H new ATOM 0 HB2 TYR A 10 62.788 -26.235 14.556 1.00 1.00 H new ATOM 0 HB3 TYR A 10 64.307 -27.025 14.933 1.00 1.00 H new ATOM 0 HD1 TYR A 10 61.374 -27.233 12.605 1.00 1.00 H new ATOM 0 HD2 TYR A 10 65.521 -28.151 13.239 1.00 1.00 H new ATOM 0 HE1 TYR A 10 61.566 -27.984 10.249 1.00 1.00 H new ATOM 0 HE2 TYR A 10 65.715 -28.901 10.883 1.00 1.00 H new ATOM 0 HH TYR A 10 64.680 -29.202 8.928 1.00 1.00 H new ATOM 143 N TYR A 11 63.554 -30.081 16.562 1.00 1.00 N ATOM 144 CA TYR A 11 64.315 -31.316 16.736 1.00 1.00 C ATOM 145 C TYR A 11 65.531 -31.338 15.816 1.00 1.00 C ATOM 146 O TYR A 11 65.863 -32.369 15.231 1.00 1.00 O ATOM 147 CB TYR A 11 63.431 -32.529 16.445 1.00 1.00 C ATOM 148 CG TYR A 11 62.651 -32.299 15.174 1.00 1.00 C ATOM 149 CD1 TYR A 11 61.414 -31.644 15.221 1.00 1.00 C ATOM 150 CD2 TYR A 11 63.163 -32.740 13.947 1.00 1.00 C ATOM 151 CE1 TYR A 11 60.690 -31.430 14.043 1.00 1.00 C ATOM 152 CE2 TYR A 11 62.438 -32.526 12.769 1.00 1.00 C ATOM 153 CZ TYR A 11 61.201 -31.871 12.816 1.00 1.00 C ATOM 154 OH TYR A 11 60.487 -31.660 11.654 1.00 1.00 O ATOM 0 H TYR A 11 63.178 -29.691 17.426 1.00 1.00 H new ATOM 0 HA TYR A 11 64.657 -31.358 17.770 1.00 1.00 H new ATOM 0 HB2 TYR A 11 64.046 -33.424 16.348 1.00 1.00 H new ATOM 0 HB3 TYR A 11 62.747 -32.700 17.276 1.00 1.00 H new ATOM 0 HD1 TYR A 11 61.019 -31.304 16.167 1.00 1.00 H new ATOM 0 HD2 TYR A 11 64.117 -33.245 13.910 1.00 1.00 H new ATOM 0 HE1 TYR A 11 59.736 -30.924 14.080 1.00 1.00 H new ATOM 0 HE2 TYR A 11 62.833 -32.866 11.823 1.00 1.00 H new ATOM 0 HH TYR A 11 60.984 -32.027 10.893 1.00 1.00 H new ATOM 164 N GLY A 12 66.190 -30.192 15.692 1.00 1.00 N ATOM 165 CA GLY A 12 67.368 -30.087 14.840 1.00 1.00 C ATOM 166 C GLY A 12 68.146 -28.810 15.141 1.00 1.00 C ATOM 167 O GLY A 12 69.331 -28.856 15.469 1.00 1.00 O ATOM 0 H GLY A 12 65.931 -29.328 16.167 1.00 1.00 H new ATOM 0 HA2 GLY A 12 68.011 -30.954 14.993 1.00 1.00 H new ATOM 0 HA3 GLY A 12 67.066 -30.095 13.793 1.00 1.00 H new ATOM 171 N ALA A 13 67.470 -27.671 15.029 1.00 1.00 N ATOM 172 CA ALA A 13 68.108 -26.386 15.291 1.00 1.00 C ATOM 173 C ALA A 13 67.275 -25.246 14.713 1.00 1.00 C ATOM 174 O ALA A 13 67.393 -24.100 15.146 1.00 1.00 O ATOM 175 CB ALA A 13 69.507 -26.360 14.673 1.00 1.00 C ATOM 0 H ALA A 13 66.488 -27.611 14.761 1.00 1.00 H new ATOM 0 HA ALA A 13 68.185 -26.255 16.370 1.00 1.00 H new ATOM 0 HB1 ALA A 13 69.976 -25.397 14.874 1.00 1.00 H new ATOM 0 HB2 ALA A 13 70.112 -27.155 15.108 1.00 1.00 H new ATOM 0 HB3 ALA A 13 69.432 -26.509 13.596 1.00 1.00 H new ATOM 181 N ASP A 14 66.438 -25.569 13.733 1.00 1.00 N ATOM 182 CA ASP A 14 65.591 -24.564 13.101 1.00 1.00 C ATOM 183 C ASP A 14 66.442 -23.562 12.327 1.00 1.00 C ATOM 184 O ASP A 14 66.424 -22.365 12.612 1.00 1.00 O ATOM 185 CB ASP A 14 64.767 -23.830 14.162 1.00 1.00 C ATOM 186 CG ASP A 14 63.519 -23.227 13.528 1.00 1.00 C ATOM 187 OD1 ASP A 14 62.768 -23.972 12.920 1.00 1.00 O ATOM 188 OD2 ASP A 14 63.331 -22.028 13.660 1.00 1.00 O ATOM 0 H ASP A 14 66.328 -26.512 13.361 1.00 1.00 H new ATOM 0 HA ASP A 14 64.917 -25.066 12.406 1.00 1.00 H new ATOM 0 HB2 ASP A 14 64.484 -24.521 14.956 1.00 1.00 H new ATOM 0 HB3 ASP A 14 65.367 -23.045 14.621 1.00 1.00 H new ATOM 193 N ASN A 15 67.186 -24.062 11.345 1.00 1.00 N ATOM 194 CA ASN A 15 68.044 -23.206 10.533 1.00 1.00 C ATOM 195 C ASN A 15 67.337 -21.894 10.205 1.00 1.00 C ATOM 196 O ASN A 15 66.619 -21.796 9.211 1.00 1.00 O ATOM 197 CB ASN A 15 68.418 -23.923 9.235 1.00 1.00 C ATOM 198 CG ASN A 15 69.831 -24.487 9.341 1.00 1.00 C ATOM 199 OD1 ASN A 15 70.763 -23.767 9.699 1.00 1.00 O ATOM 200 ND2 ASN A 15 70.047 -25.741 9.048 1.00 1.00 N ATOM 0 H ASN A 15 67.212 -25.050 11.093 1.00 1.00 H new ATOM 0 HA ASN A 15 68.948 -22.987 11.101 1.00 1.00 H new ATOM 0 HB2 ASN A 15 67.710 -24.728 9.037 1.00 1.00 H new ATOM 0 HB3 ASN A 15 68.356 -23.230 8.396 1.00 1.00 H new ATOM 0 HD21 ASN A 15 70.989 -26.126 9.116 1.00 1.00 H new ATOM 0 HD22 ASN A 15 69.273 -26.336 8.752 1.00 1.00 H new ATOM 207 N GLN A 16 67.546 -20.889 11.049 1.00 1.00 N ATOM 208 CA GLN A 16 66.924 -19.587 10.843 1.00 1.00 C ATOM 209 C GLN A 16 67.670 -18.801 9.768 1.00 1.00 C ATOM 210 O GLN A 16 67.484 -17.592 9.628 1.00 1.00 O ATOM 211 CB GLN A 16 66.924 -18.794 12.152 1.00 1.00 C ATOM 212 CG GLN A 16 68.312 -18.196 12.391 1.00 1.00 C ATOM 213 CD GLN A 16 69.389 -19.216 12.039 1.00 1.00 C ATOM 214 OE1 GLN A 16 70.064 -19.079 11.019 1.00 1.00 O ATOM 215 NE2 GLN A 16 69.591 -20.237 12.826 1.00 1.00 N ATOM 0 H GLN A 16 68.138 -20.951 11.877 1.00 1.00 H new ATOM 0 HA GLN A 16 65.896 -19.744 10.515 1.00 1.00 H new ATOM 0 HB2 GLN A 16 66.178 -18.001 12.108 1.00 1.00 H new ATOM 0 HB3 GLN A 16 66.649 -19.444 12.983 1.00 1.00 H new ATOM 0 HG2 GLN A 16 68.439 -17.298 11.786 1.00 1.00 H new ATOM 0 HG3 GLN A 16 68.412 -17.895 13.434 1.00 1.00 H new ATOM 0 HE21 GLN A 16 69.030 -20.348 13.671 1.00 1.00 H new ATOM 0 HE22 GLN A 16 70.310 -20.924 12.596 1.00 1.00 H new ATOM 224 N SER A 17 68.513 -19.496 9.012 1.00 1.00 N ATOM 225 CA SER A 17 69.281 -18.853 7.952 1.00 1.00 C ATOM 226 C SER A 17 69.316 -19.732 6.706 1.00 1.00 C ATOM 227 O SER A 17 69.046 -19.267 5.599 1.00 1.00 O ATOM 228 CB SER A 17 70.709 -18.586 8.431 1.00 1.00 C ATOM 229 OG SER A 17 70.699 -17.506 9.355 1.00 1.00 O ATOM 0 H SER A 17 68.681 -20.497 9.112 1.00 1.00 H new ATOM 0 HA SER A 17 68.799 -17.908 7.702 1.00 1.00 H new ATOM 0 HB2 SER A 17 71.120 -19.479 8.902 1.00 1.00 H new ATOM 0 HB3 SER A 17 71.351 -18.348 7.583 1.00 1.00 H new ATOM 0 HG SER A 17 70.463 -17.840 10.246 1.00 1.00 H new ATOM 235 N GLU A 18 69.651 -21.004 6.895 1.00 1.00 N ATOM 236 CA GLU A 18 69.718 -21.940 5.778 1.00 1.00 C ATOM 237 C GLU A 18 68.324 -22.433 5.407 1.00 1.00 C ATOM 238 O GLU A 18 68.034 -23.626 5.491 1.00 1.00 O ATOM 239 CB GLU A 18 70.601 -23.133 6.150 1.00 1.00 C ATOM 240 CG GLU A 18 70.972 -23.907 4.882 1.00 1.00 C ATOM 241 CD GLU A 18 71.547 -25.270 5.254 1.00 1.00 C ATOM 242 OE1 GLU A 18 72.378 -25.317 6.148 1.00 1.00 O ATOM 243 OE2 GLU A 18 71.149 -26.246 4.641 1.00 1.00 O ATOM 0 H GLU A 18 69.879 -21.408 7.803 1.00 1.00 H new ATOM 0 HA GLU A 18 70.148 -21.423 4.920 1.00 1.00 H new ATOM 0 HB2 GLU A 18 71.503 -22.788 6.656 1.00 1.00 H new ATOM 0 HB3 GLU A 18 70.075 -23.786 6.847 1.00 1.00 H new ATOM 0 HG2 GLU A 18 70.091 -24.034 4.252 1.00 1.00 H new ATOM 0 HG3 GLU A 18 71.701 -23.342 4.301 1.00 1.00 H new ATOM 250 N CYS A 19 67.464 -21.506 4.997 1.00 1.00 N ATOM 251 CA CYS A 19 66.101 -21.858 4.616 1.00 1.00 C ATOM 252 C CYS A 19 65.979 -21.959 3.098 1.00 1.00 C ATOM 253 O CYS A 19 64.962 -22.417 2.577 1.00 1.00 O ATOM 254 CB CYS A 19 65.124 -20.804 5.139 1.00 1.00 C ATOM 255 SG CYS A 19 63.773 -21.621 6.025 1.00 1.00 S ATOM 0 H CYS A 19 67.684 -20.513 4.920 1.00 1.00 H new ATOM 0 HA CYS A 19 65.859 -22.826 5.054 1.00 1.00 H new ATOM 0 HB2 CYS A 19 65.641 -20.110 5.802 1.00 1.00 H new ATOM 0 HB3 CYS A 19 64.727 -20.217 4.310 1.00 1.00 H new ATOM 0 HG CYS A 19 62.943 -20.726 6.472 1.00 1.00 H new ATOM 261 N GLU A 20 67.021 -21.527 2.395 1.00 1.00 N ATOM 262 CA GLU A 20 67.019 -21.575 0.938 1.00 1.00 C ATOM 263 C GLU A 20 66.883 -23.013 0.448 1.00 1.00 C ATOM 264 O GLU A 20 66.841 -23.268 -0.755 1.00 1.00 O ATOM 265 CB GLU A 20 68.314 -20.970 0.394 1.00 1.00 C ATOM 266 CG GLU A 20 68.483 -19.549 0.938 1.00 1.00 C ATOM 267 CD GLU A 20 69.139 -18.663 -0.115 1.00 1.00 C ATOM 268 OE1 GLU A 20 70.352 -18.710 -0.229 1.00 1.00 O ATOM 269 OE2 GLU A 20 68.416 -17.949 -0.792 1.00 1.00 O ATOM 0 H GLU A 20 67.871 -21.143 2.807 1.00 1.00 H new ATOM 0 HA GLU A 20 66.168 -20.998 0.576 1.00 1.00 H new ATOM 0 HB2 GLU A 20 69.165 -21.585 0.685 1.00 1.00 H new ATOM 0 HB3 GLU A 20 68.290 -20.953 -0.696 1.00 1.00 H new ATOM 0 HG2 GLU A 20 67.512 -19.139 1.216 1.00 1.00 H new ATOM 0 HG3 GLU A 20 69.092 -19.567 1.842 1.00 1.00 H new ATOM 276 N TYR A 21 66.813 -23.949 1.389 1.00 1.00 N ATOM 277 CA TYR A 21 66.680 -25.359 1.043 1.00 1.00 C ATOM 278 C TYR A 21 65.554 -25.559 0.033 1.00 1.00 C ATOM 279 O TYR A 21 65.753 -26.157 -1.025 1.00 1.00 O ATOM 280 CB TYR A 21 66.395 -26.182 2.299 1.00 1.00 C ATOM 281 CG TYR A 21 67.364 -27.338 2.375 1.00 1.00 C ATOM 282 CD1 TYR A 21 68.701 -27.108 2.723 1.00 1.00 C ATOM 283 CD2 TYR A 21 66.926 -28.638 2.099 1.00 1.00 C ATOM 284 CE1 TYR A 21 69.600 -28.179 2.793 1.00 1.00 C ATOM 285 CE2 TYR A 21 67.825 -29.710 2.169 1.00 1.00 C ATOM 286 CZ TYR A 21 69.161 -29.481 2.516 1.00 1.00 C ATOM 287 OH TYR A 21 70.047 -30.536 2.586 1.00 1.00 O ATOM 0 H TYR A 21 66.846 -23.758 2.390 1.00 1.00 H new ATOM 0 HA TYR A 21 67.616 -25.693 0.597 1.00 1.00 H new ATOM 0 HB2 TYR A 21 66.489 -25.556 3.186 1.00 1.00 H new ATOM 0 HB3 TYR A 21 65.370 -26.553 2.279 1.00 1.00 H new ATOM 0 HD1 TYR A 21 69.038 -26.105 2.937 1.00 1.00 H new ATOM 0 HD2 TYR A 21 65.895 -28.815 1.832 1.00 1.00 H new ATOM 0 HE1 TYR A 21 70.631 -28.002 3.060 1.00 1.00 H new ATOM 0 HE2 TYR A 21 67.487 -30.713 1.955 1.00 1.00 H new ATOM 0 HH TYR A 21 69.581 -31.370 2.366 1.00 1.00 H new ATOM 297 N THR A 22 64.370 -25.056 0.368 1.00 1.00 N ATOM 298 CA THR A 22 63.218 -25.186 -0.516 1.00 1.00 C ATOM 299 C THR A 22 62.261 -24.014 -0.324 1.00 1.00 C ATOM 300 O THR A 22 61.111 -24.063 -0.760 1.00 1.00 O ATOM 301 CB THR A 22 62.485 -26.498 -0.231 1.00 1.00 C ATOM 302 OG1 THR A 22 63.020 -27.091 0.945 1.00 1.00 O ATOM 303 CG2 THR A 22 62.663 -27.453 -1.412 1.00 1.00 C ATOM 0 H THR A 22 64.184 -24.558 1.239 1.00 1.00 H new ATOM 0 HA THR A 22 63.573 -25.186 -1.547 1.00 1.00 H new ATOM 0 HB THR A 22 61.423 -26.297 -0.088 1.00 1.00 H new ATOM 0 HG1 THR A 22 62.551 -27.931 1.130 1.00 1.00 H new ATOM 0 HG21 THR A 22 62.140 -28.387 -1.207 1.00 1.00 H new ATOM 0 HG22 THR A 22 62.252 -26.998 -2.313 1.00 1.00 H new ATOM 0 HG23 THR A 22 63.724 -27.656 -1.559 1.00 1.00 H new ATOM 311 N ASP A 23 62.744 -22.963 0.330 1.00 1.00 N ATOM 312 CA ASP A 23 61.923 -21.782 0.574 1.00 1.00 C ATOM 313 C ASP A 23 62.292 -20.662 -0.393 1.00 1.00 C ATOM 314 O ASP A 23 61.858 -19.522 -0.233 1.00 1.00 O ATOM 315 CB ASP A 23 62.116 -21.301 2.014 1.00 1.00 C ATOM 316 CG ASP A 23 63.046 -20.093 2.039 1.00 1.00 C ATOM 317 OD1 ASP A 23 64.140 -20.202 1.510 1.00 1.00 O ATOM 318 OD2 ASP A 23 62.651 -19.078 2.587 1.00 1.00 O ATOM 0 H ASP A 23 63.693 -22.904 0.699 1.00 1.00 H new ATOM 0 HA ASP A 23 60.878 -22.050 0.417 1.00 1.00 H new ATOM 0 HB2 ASP A 23 61.153 -21.038 2.451 1.00 1.00 H new ATOM 0 HB3 ASP A 23 62.533 -22.104 2.622 1.00 1.00 H new ATOM 323 N TRP A 24 63.099 -20.996 -1.396 1.00 1.00 N ATOM 324 CA TRP A 24 63.521 -20.009 -2.384 1.00 1.00 C ATOM 325 C TRP A 24 62.476 -19.875 -3.487 1.00 1.00 C ATOM 326 O TRP A 24 62.676 -19.147 -4.459 1.00 1.00 O ATOM 327 CB TRP A 24 64.862 -20.421 -2.994 1.00 1.00 C ATOM 328 CG TRP A 24 64.680 -21.665 -3.803 1.00 1.00 C ATOM 329 CD1 TRP A 24 64.519 -22.908 -3.292 1.00 1.00 C ATOM 330 CD2 TRP A 24 64.638 -21.810 -5.252 1.00 1.00 C ATOM 331 NE1 TRP A 24 64.381 -23.806 -4.335 1.00 1.00 N ATOM 332 CE2 TRP A 24 64.448 -23.177 -5.562 1.00 1.00 C ATOM 333 CE3 TRP A 24 64.745 -20.896 -6.316 1.00 1.00 C ATOM 334 CZ2 TRP A 24 64.366 -23.623 -6.883 1.00 1.00 C ATOM 335 CZ3 TRP A 24 64.665 -21.342 -7.647 1.00 1.00 C ATOM 336 CH2 TRP A 24 64.476 -22.703 -7.929 1.00 1.00 C ATOM 0 H TRP A 24 63.471 -21.934 -1.545 1.00 1.00 H new ATOM 0 HA TRP A 24 63.631 -19.046 -1.885 1.00 1.00 H new ATOM 0 HB2 TRP A 24 65.250 -19.619 -3.622 1.00 1.00 H new ATOM 0 HB3 TRP A 24 65.595 -20.591 -2.206 1.00 1.00 H new ATOM 0 HD1 TRP A 24 64.501 -23.158 -2.241 1.00 1.00 H new ATOM 0 HE1 TRP A 24 64.246 -24.810 -4.213 1.00 1.00 H new ATOM 0 HE3 TRP A 24 64.889 -19.846 -6.109 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 64.219 -24.672 -7.095 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 64.750 -20.633 -8.457 1.00 1.00 H new ATOM 0 HH2 TRP A 24 64.416 -23.039 -8.953 1.00 1.00 H new ATOM 347 N LYS A 25 61.362 -20.582 -3.329 1.00 1.00 N ATOM 348 CA LYS A 25 60.292 -20.535 -4.318 1.00 1.00 C ATOM 349 C LYS A 25 58.941 -20.802 -3.662 1.00 1.00 C ATOM 350 O LYS A 25 57.954 -21.079 -4.342 1.00 1.00 O ATOM 351 CB LYS A 25 60.543 -21.571 -5.418 1.00 1.00 C ATOM 352 CG LYS A 25 61.206 -22.815 -4.819 1.00 1.00 C ATOM 353 CD LYS A 25 60.334 -23.370 -3.691 1.00 1.00 C ATOM 354 CE LYS A 25 60.762 -24.803 -3.373 1.00 1.00 C ATOM 355 NZ LYS A 25 60.616 -25.648 -4.592 1.00 1.00 N ATOM 0 H LYS A 25 61.177 -21.190 -2.531 1.00 1.00 H new ATOM 0 HA LYS A 25 60.278 -19.538 -4.758 1.00 1.00 H new ATOM 0 HB2 LYS A 25 59.602 -21.844 -5.895 1.00 1.00 H new ATOM 0 HB3 LYS A 25 61.181 -21.145 -6.192 1.00 1.00 H new ATOM 0 HG2 LYS A 25 61.345 -23.572 -5.591 1.00 1.00 H new ATOM 0 HG3 LYS A 25 62.195 -22.564 -4.437 1.00 1.00 H new ATOM 0 HD2 LYS A 25 60.429 -22.745 -2.803 1.00 1.00 H new ATOM 0 HD3 LYS A 25 59.284 -23.349 -3.985 1.00 1.00 H new ATOM 0 HE2 LYS A 25 61.796 -24.817 -3.030 1.00 1.00 H new ATOM 0 HE3 LYS A 25 60.152 -25.205 -2.564 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 60.420 -26.630 -4.312 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 59.830 -25.290 -5.171 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 61.496 -25.614 -5.145 1.00 1.00 H new ATOM 369 N SER A 26 58.906 -20.716 -2.336 1.00 1.00 N ATOM 370 CA SER A 26 57.671 -20.952 -1.598 1.00 1.00 C ATOM 371 C SER A 26 57.555 -19.982 -0.425 1.00 1.00 C ATOM 372 O SER A 26 56.718 -20.163 0.460 1.00 1.00 O ATOM 373 CB SER A 26 57.640 -22.389 -1.079 1.00 1.00 C ATOM 374 OG SER A 26 56.692 -23.139 -1.829 1.00 1.00 O ATOM 0 H SER A 26 59.712 -20.486 -1.755 1.00 1.00 H new ATOM 0 HA SER A 26 56.830 -20.792 -2.272 1.00 1.00 H new ATOM 0 HB2 SER A 26 58.628 -22.840 -1.165 1.00 1.00 H new ATOM 0 HB3 SER A 26 57.376 -22.400 -0.022 1.00 1.00 H new ATOM 0 HG SER A 26 56.671 -24.062 -1.500 1.00 1.00 H new ATOM 380 N SER A 27 58.398 -18.955 -0.428 1.00 1.00 N ATOM 381 CA SER A 27 58.381 -17.963 0.642 1.00 1.00 C ATOM 382 C SER A 27 58.510 -16.555 0.068 1.00 1.00 C ATOM 383 O SER A 27 59.045 -15.656 0.717 1.00 1.00 O ATOM 384 CB SER A 27 59.529 -18.226 1.617 1.00 1.00 C ATOM 385 OG SER A 27 59.047 -18.111 2.950 1.00 1.00 O ATOM 0 H SER A 27 59.096 -18.788 -1.153 1.00 1.00 H new ATOM 0 HA SER A 27 57.431 -18.042 1.171 1.00 1.00 H new ATOM 0 HB2 SER A 27 59.942 -19.221 1.452 1.00 1.00 H new ATOM 0 HB3 SER A 27 60.337 -17.514 1.447 1.00 1.00 H new ATOM 0 HG SER A 27 59.780 -18.280 3.579 1.00 1.00 H new ATOM 391 N GLY A 28 58.015 -16.371 -1.151 1.00 1.00 N ATOM 392 CA GLY A 28 58.080 -15.068 -1.803 1.00 1.00 C ATOM 393 C GLY A 28 56.938 -14.898 -2.798 1.00 1.00 C ATOM 394 O GLY A 28 57.098 -14.259 -3.837 1.00 1.00 O ATOM 0 H GLY A 28 57.567 -17.102 -1.704 1.00 1.00 H new ATOM 0 HA2 GLY A 28 58.034 -14.279 -1.052 1.00 1.00 H new ATOM 0 HA3 GLY A 28 59.035 -14.962 -2.318 1.00 1.00 H new ATOM 398 N ALA A 29 55.786 -15.475 -2.472 1.00 1.00 N ATOM 399 CA ALA A 29 54.622 -15.381 -3.345 1.00 1.00 C ATOM 400 C ALA A 29 53.341 -15.272 -2.524 1.00 1.00 C ATOM 401 O ALA A 29 52.378 -14.631 -2.942 1.00 1.00 O ATOM 402 CB ALA A 29 54.547 -16.612 -4.249 1.00 1.00 C ATOM 0 H ALA A 29 55.634 -16.009 -1.616 1.00 1.00 H new ATOM 0 HA ALA A 29 54.724 -14.485 -3.958 1.00 1.00 H new ATOM 0 HB1 ALA A 29 53.675 -16.534 -4.898 1.00 1.00 H new ATOM 0 HB2 ALA A 29 55.449 -16.671 -4.858 1.00 1.00 H new ATOM 0 HB3 ALA A 29 54.464 -17.509 -3.636 1.00 1.00 H new ATOM 408 N LEU A 30 53.342 -15.902 -1.352 1.00 1.00 N ATOM 409 CA LEU A 30 52.176 -15.873 -0.475 1.00 1.00 C ATOM 410 C LEU A 30 52.436 -14.977 0.732 1.00 1.00 C ATOM 411 O LEU A 30 51.561 -14.792 1.579 1.00 1.00 O ATOM 412 CB LEU A 30 51.847 -17.289 0.001 1.00 1.00 C ATOM 413 CG LEU A 30 52.038 -18.273 -1.154 1.00 1.00 C ATOM 414 CD1 LEU A 30 53.415 -18.930 -1.043 1.00 1.00 C ATOM 415 CD2 LEU A 30 50.953 -19.350 -1.091 1.00 1.00 C ATOM 0 H LEU A 30 54.132 -16.436 -0.990 1.00 1.00 H new ATOM 0 HA LEU A 30 51.332 -15.472 -1.036 1.00 1.00 H new ATOM 0 HB2 LEU A 30 52.492 -17.562 0.836 1.00 1.00 H new ATOM 0 HB3 LEU A 30 50.820 -17.333 0.364 1.00 1.00 H new ATOM 0 HG LEU A 30 51.966 -17.739 -2.101 1.00 1.00 H new ATOM 0 HD11 LEU A 30 53.551 -19.631 -1.866 1.00 1.00 H new ATOM 0 HD12 LEU A 30 54.189 -18.163 -1.088 1.00 1.00 H new ATOM 0 HD13 LEU A 30 53.488 -19.464 -0.096 1.00 1.00 H new ATOM 0 HD21 LEU A 30 51.089 -20.052 -1.914 1.00 1.00 H new ATOM 0 HD22 LEU A 30 51.025 -19.884 -0.143 1.00 1.00 H new ATOM 0 HD23 LEU A 30 49.971 -18.883 -1.171 1.00 1.00 H new ATOM 427 N ILE A 31 53.642 -14.424 0.806 1.00 1.00 N ATOM 428 CA ILE A 31 54.004 -13.549 1.914 1.00 1.00 C ATOM 429 C ILE A 31 53.677 -12.088 1.598 1.00 1.00 C ATOM 430 O ILE A 31 53.215 -11.353 2.471 1.00 1.00 O ATOM 431 CB ILE A 31 55.497 -13.685 2.235 1.00 1.00 C ATOM 432 CG1 ILE A 31 56.036 -15.009 1.674 1.00 1.00 C ATOM 433 CG2 ILE A 31 55.700 -13.654 3.751 1.00 1.00 C ATOM 434 CD1 ILE A 31 55.196 -16.186 2.186 1.00 1.00 C ATOM 0 H ILE A 31 54.381 -14.565 0.117 1.00 1.00 H new ATOM 0 HA ILE A 31 53.418 -13.853 2.781 1.00 1.00 H new ATOM 0 HB ILE A 31 56.036 -12.856 1.777 1.00 1.00 H new ATOM 0 HG12 ILE A 31 56.015 -14.985 0.584 1.00 1.00 H new ATOM 0 HG13 ILE A 31 57.077 -15.140 1.970 1.00 1.00 H new ATOM 0 HG21 ILE A 31 56.762 -13.751 3.978 1.00 1.00 H new ATOM 0 HG22 ILE A 31 55.329 -12.710 4.149 1.00 1.00 H new ATOM 0 HG23 ILE A 31 55.155 -14.480 4.208 1.00 1.00 H new ATOM 0 HD11 ILE A 31 55.590 -17.118 1.780 1.00 1.00 H new ATOM 0 HD12 ILE A 31 55.239 -16.217 3.275 1.00 1.00 H new ATOM 0 HD13 ILE A 31 54.161 -16.060 1.868 1.00 1.00 H new ATOM 446 N PRO A 32 53.905 -11.648 0.384 1.00 1.00 N ATOM 447 CA PRO A 32 53.626 -10.249 -0.024 1.00 1.00 C ATOM 448 C PRO A 32 52.186 -10.064 -0.499 1.00 1.00 C ATOM 449 O PRO A 32 51.888 -9.146 -1.265 1.00 1.00 O ATOM 450 CB PRO A 32 54.614 -10.016 -1.164 1.00 1.00 C ATOM 451 CG PRO A 32 54.867 -11.364 -1.769 1.00 1.00 C ATOM 452 CD PRO A 32 54.451 -12.425 -0.739 1.00 1.00 C ATOM 0 HA PRO A 32 53.739 -9.545 0.800 1.00 1.00 H new ATOM 0 HB2 PRO A 32 54.203 -9.327 -1.902 1.00 1.00 H new ATOM 0 HB3 PRO A 32 55.539 -9.573 -0.795 1.00 1.00 H new ATOM 0 HG2 PRO A 32 54.297 -11.482 -2.691 1.00 1.00 H new ATOM 0 HG3 PRO A 32 55.920 -11.475 -2.028 1.00 1.00 H new ATOM 0 HD2 PRO A 32 53.707 -13.107 -1.149 1.00 1.00 H new ATOM 0 HD3 PRO A 32 55.301 -13.031 -0.427 1.00 1.00 H new ATOM 460 N ALA A 33 51.301 -10.943 -0.038 1.00 1.00 N ATOM 461 CA ALA A 33 49.894 -10.872 -0.418 1.00 1.00 C ATOM 462 C ALA A 33 49.000 -11.013 0.809 1.00 1.00 C ATOM 463 O ALA A 33 47.776 -11.076 0.692 1.00 1.00 O ATOM 464 CB ALA A 33 49.568 -11.981 -1.420 1.00 1.00 C ATOM 0 H ALA A 33 51.531 -11.708 0.596 1.00 1.00 H new ATOM 0 HA ALA A 33 49.709 -9.901 -0.878 1.00 1.00 H new ATOM 0 HB1 ALA A 33 48.516 -11.922 -1.699 1.00 1.00 H new ATOM 0 HB2 ALA A 33 50.187 -11.861 -2.309 1.00 1.00 H new ATOM 0 HB3 ALA A 33 49.769 -12.952 -0.967 1.00 1.00 H new ATOM 470 N ILE A 34 49.621 -11.064 1.984 1.00 1.00 N ATOM 471 CA ILE A 34 48.874 -11.197 3.232 1.00 1.00 C ATOM 472 C ILE A 34 49.353 -10.174 4.258 1.00 1.00 C ATOM 473 O ILE A 34 48.578 -9.710 5.093 1.00 1.00 O ATOM 474 CB ILE A 34 49.044 -12.607 3.795 1.00 1.00 C ATOM 475 CG1 ILE A 34 50.534 -12.925 3.939 1.00 1.00 C ATOM 476 CG2 ILE A 34 48.399 -13.617 2.844 1.00 1.00 C ATOM 477 CD1 ILE A 34 50.697 -14.299 4.586 1.00 1.00 C ATOM 0 H ILE A 34 50.633 -11.016 2.099 1.00 1.00 H new ATOM 0 HA ILE A 34 47.820 -11.015 3.022 1.00 1.00 H new ATOM 0 HB ILE A 34 48.564 -12.667 4.772 1.00 1.00 H new ATOM 0 HG12 ILE A 34 51.017 -12.911 2.962 1.00 1.00 H new ATOM 0 HG13 ILE A 34 51.023 -12.164 4.547 1.00 1.00 H new ATOM 0 HG21 ILE A 34 48.520 -14.623 3.245 1.00 1.00 H new ATOM 0 HG22 ILE A 34 47.337 -13.393 2.741 1.00 1.00 H new ATOM 0 HG23 ILE A 34 48.879 -13.556 1.868 1.00 1.00 H new ATOM 0 HD11 ILE A 34 51.757 -14.529 4.690 1.00 1.00 H new ATOM 0 HD12 ILE A 34 50.228 -14.296 5.570 1.00 1.00 H new ATOM 0 HD13 ILE A 34 50.222 -15.054 3.960 1.00 1.00 H new ATOM 489 N TYR A 35 50.635 -9.827 4.188 1.00 1.00 N ATOM 490 CA TYR A 35 51.204 -8.858 5.118 1.00 1.00 C ATOM 491 C TYR A 35 50.803 -7.440 4.724 1.00 1.00 C ATOM 492 O TYR A 35 51.409 -6.467 5.173 1.00 1.00 O ATOM 493 CB TYR A 35 52.730 -8.975 5.126 1.00 1.00 C ATOM 494 CG TYR A 35 53.196 -9.379 6.503 1.00 1.00 C ATOM 495 CD1 TYR A 35 53.438 -8.401 7.476 1.00 1.00 C ATOM 496 CD2 TYR A 35 53.387 -10.732 6.809 1.00 1.00 C ATOM 497 CE1 TYR A 35 53.871 -8.776 8.754 1.00 1.00 C ATOM 498 CE2 TYR A 35 53.820 -11.107 8.087 1.00 1.00 C ATOM 499 CZ TYR A 35 54.061 -10.128 9.059 1.00 1.00 C ATOM 500 OH TYR A 35 54.489 -10.497 10.319 1.00 1.00 O ATOM 0 H TYR A 35 51.294 -10.199 3.504 1.00 1.00 H new ATOM 0 HA TYR A 35 50.819 -9.069 6.115 1.00 1.00 H new ATOM 0 HB2 TYR A 35 53.053 -9.712 4.390 1.00 1.00 H new ATOM 0 HB3 TYR A 35 53.180 -8.023 4.843 1.00 1.00 H new ATOM 0 HD1 TYR A 35 53.291 -7.357 7.241 1.00 1.00 H new ATOM 0 HD2 TYR A 35 53.200 -11.487 6.059 1.00 1.00 H new ATOM 0 HE1 TYR A 35 54.058 -8.022 9.504 1.00 1.00 H new ATOM 0 HE2 TYR A 35 53.968 -12.151 8.323 1.00 1.00 H new ATOM 0 HH TYR A 35 54.569 -11.473 10.365 1.00 1.00 H new ATOM 510 N MET A 36 49.778 -7.334 3.882 1.00 1.00 N ATOM 511 CA MET A 36 49.295 -6.033 3.427 1.00 1.00 C ATOM 512 C MET A 36 47.858 -5.805 3.883 1.00 1.00 C ATOM 513 O MET A 36 47.564 -4.834 4.580 1.00 1.00 O ATOM 514 CB MET A 36 49.365 -5.956 1.901 1.00 1.00 C ATOM 515 CG MET A 36 50.600 -6.711 1.407 1.00 1.00 C ATOM 516 SD MET A 36 52.069 -6.087 2.262 1.00 1.00 S ATOM 517 CE MET A 36 52.457 -4.752 1.104 1.00 1.00 C ATOM 0 H MET A 36 49.267 -8.131 3.502 1.00 1.00 H new ATOM 0 HA MET A 36 49.929 -5.259 3.860 1.00 1.00 H new ATOM 0 HB2 MET A 36 48.464 -6.386 1.463 1.00 1.00 H new ATOM 0 HB3 MET A 36 49.410 -4.915 1.581 1.00 1.00 H new ATOM 0 HG2 MET A 36 50.485 -7.779 1.591 1.00 1.00 H new ATOM 0 HG3 MET A 36 50.711 -6.584 0.330 1.00 1.00 H new ATOM 0 HE1 MET A 36 53.347 -4.223 1.444 1.00 1.00 H new ATOM 0 HE2 MET A 36 52.639 -5.170 0.114 1.00 1.00 H new ATOM 0 HE3 MET A 36 51.619 -4.057 1.056 1.00 1.00 H new ATOM 527 N LEU A 37 46.966 -6.708 3.486 1.00 1.00 N ATOM 528 CA LEU A 37 45.561 -6.595 3.861 1.00 1.00 C ATOM 529 C LEU A 37 45.372 -6.924 5.338 1.00 1.00 C ATOM 530 O LEU A 37 44.250 -7.130 5.799 1.00 1.00 O ATOM 531 CB LEU A 37 44.716 -7.546 3.011 1.00 1.00 C ATOM 532 CG LEU A 37 45.093 -7.387 1.538 1.00 1.00 C ATOM 533 CD1 LEU A 37 44.230 -8.321 0.686 1.00 1.00 C ATOM 534 CD2 LEU A 37 44.853 -5.938 1.106 1.00 1.00 C ATOM 0 H LEU A 37 47.189 -7.519 2.910 1.00 1.00 H new ATOM 0 HA LEU A 37 45.239 -5.568 3.686 1.00 1.00 H new ATOM 0 HB2 LEU A 37 44.878 -8.576 3.329 1.00 1.00 H new ATOM 0 HB3 LEU A 37 43.657 -7.332 3.151 1.00 1.00 H new ATOM 0 HG LEU A 37 46.145 -7.640 1.402 1.00 1.00 H new ATOM 0 HD11 LEU A 37 44.499 -8.208 -0.364 1.00 1.00 H new ATOM 0 HD12 LEU A 37 44.397 -9.353 0.994 1.00 1.00 H new ATOM 0 HD13 LEU A 37 43.178 -8.068 0.821 1.00 1.00 H new ATOM 0 HD21 LEU A 37 45.121 -5.822 0.056 1.00 1.00 H new ATOM 0 HD22 LEU A 37 43.801 -5.687 1.242 1.00 1.00 H new ATOM 0 HD23 LEU A 37 45.466 -5.271 1.713 1.00 1.00 H new ATOM 546 N VAL A 38 46.478 -6.972 6.074 1.00 1.00 N ATOM 547 CA VAL A 38 46.421 -7.278 7.499 1.00 1.00 C ATOM 548 C VAL A 38 47.364 -6.368 8.280 1.00 1.00 C ATOM 549 O VAL A 38 47.195 -6.169 9.483 1.00 1.00 O ATOM 550 CB VAL A 38 46.808 -8.739 7.735 1.00 1.00 C ATOM 551 CG1 VAL A 38 46.553 -9.104 9.199 1.00 1.00 C ATOM 552 CG2 VAL A 38 45.963 -9.640 6.833 1.00 1.00 C ATOM 0 H VAL A 38 47.417 -6.805 5.711 1.00 1.00 H new ATOM 0 HA VAL A 38 45.402 -7.111 7.847 1.00 1.00 H new ATOM 0 HB VAL A 38 47.864 -8.878 7.504 1.00 1.00 H new ATOM 0 HG11 VAL A 38 46.829 -10.145 9.368 1.00 1.00 H new ATOM 0 HG12 VAL A 38 47.152 -8.461 9.844 1.00 1.00 H new ATOM 0 HG13 VAL A 38 45.497 -8.966 9.430 1.00 1.00 H new ATOM 0 HG21 VAL A 38 46.237 -10.682 7.000 1.00 1.00 H new ATOM 0 HG22 VAL A 38 44.907 -9.501 7.066 1.00 1.00 H new ATOM 0 HG23 VAL A 38 46.141 -9.380 5.790 1.00 1.00 H new ATOM 562 N PHE A 39 48.356 -5.818 7.588 1.00 1.00 N ATOM 563 CA PHE A 39 49.320 -4.930 8.228 1.00 1.00 C ATOM 564 C PHE A 39 48.860 -3.479 8.129 1.00 1.00 C ATOM 565 O PHE A 39 49.675 -2.557 8.140 1.00 1.00 O ATOM 566 CB PHE A 39 50.689 -5.079 7.562 1.00 1.00 C ATOM 567 CG PHE A 39 51.739 -4.407 8.414 1.00 1.00 C ATOM 568 CD1 PHE A 39 52.182 -5.021 9.592 1.00 1.00 C ATOM 569 CD2 PHE A 39 52.270 -3.172 8.027 1.00 1.00 C ATOM 570 CE1 PHE A 39 53.156 -4.398 10.383 1.00 1.00 C ATOM 571 CE2 PHE A 39 53.243 -2.549 8.816 1.00 1.00 C ATOM 572 CZ PHE A 39 53.687 -3.162 9.995 1.00 1.00 C ATOM 0 H PHE A 39 48.513 -5.970 6.592 1.00 1.00 H new ATOM 0 HA PHE A 39 49.396 -5.205 9.280 1.00 1.00 H new ATOM 0 HB2 PHE A 39 50.930 -6.134 7.434 1.00 1.00 H new ATOM 0 HB3 PHE A 39 50.672 -4.633 6.568 1.00 1.00 H new ATOM 0 HD1 PHE A 39 51.773 -5.975 9.891 1.00 1.00 H new ATOM 0 HD2 PHE A 39 51.928 -2.699 7.118 1.00 1.00 H new ATOM 0 HE1 PHE A 39 53.497 -4.871 11.292 1.00 1.00 H new ATOM 0 HE2 PHE A 39 53.652 -1.595 8.516 1.00 1.00 H new ATOM 0 HZ PHE A 39 54.438 -2.681 10.604 1.00 1.00 H new ATOM 582 N LEU A 40 47.548 -3.285 8.032 1.00 1.00 N ATOM 583 CA LEU A 40 46.990 -1.941 7.932 1.00 1.00 C ATOM 584 C LEU A 40 45.736 -1.817 8.792 1.00 1.00 C ATOM 585 O LEU A 40 45.184 -0.727 8.943 1.00 1.00 O ATOM 586 CB LEU A 40 46.646 -1.627 6.475 1.00 1.00 C ATOM 587 CG LEU A 40 47.894 -1.113 5.755 1.00 1.00 C ATOM 588 CD1 LEU A 40 47.819 -1.488 4.274 1.00 1.00 C ATOM 589 CD2 LEU A 40 47.970 0.408 5.892 1.00 1.00 C ATOM 0 H LEU A 40 46.857 -4.035 8.021 1.00 1.00 H new ATOM 0 HA LEU A 40 47.734 -1.230 8.291 1.00 1.00 H new ATOM 0 HB2 LEU A 40 46.269 -2.521 5.978 1.00 1.00 H new ATOM 0 HB3 LEU A 40 45.854 -0.880 6.430 1.00 1.00 H new ATOM 0 HG LEU A 40 48.782 -1.563 6.199 1.00 1.00 H new ATOM 0 HD11 LEU A 40 48.708 -1.122 3.761 1.00 1.00 H new ATOM 0 HD12 LEU A 40 47.764 -2.572 4.176 1.00 1.00 H new ATOM 0 HD13 LEU A 40 46.932 -1.038 3.829 1.00 1.00 H new ATOM 0 HD21 LEU A 40 48.859 0.776 5.379 1.00 1.00 H new ATOM 0 HD22 LEU A 40 47.082 0.858 5.447 1.00 1.00 H new ATOM 0 HD23 LEU A 40 48.023 0.676 6.947 1.00 1.00 H new ATOM 601 N LEU A 41 45.295 -2.942 9.350 1.00 1.00 N ATOM 602 CA LEU A 41 44.104 -2.955 10.196 1.00 1.00 C ATOM 603 C LEU A 41 44.414 -3.597 11.545 1.00 1.00 C ATOM 604 O LEU A 41 44.107 -3.033 12.595 1.00 1.00 O ATOM 605 CB LEU A 41 42.975 -3.729 9.509 1.00 1.00 C ATOM 606 CG LEU A 41 43.562 -4.801 8.587 1.00 1.00 C ATOM 607 CD1 LEU A 41 42.568 -5.956 8.454 1.00 1.00 C ATOM 608 CD2 LEU A 41 43.829 -4.200 7.204 1.00 1.00 C ATOM 0 H LEU A 41 45.741 -3.852 9.233 1.00 1.00 H new ATOM 0 HA LEU A 41 43.788 -1.924 10.357 1.00 1.00 H new ATOM 0 HB2 LEU A 41 42.333 -4.193 10.258 1.00 1.00 H new ATOM 0 HB3 LEU A 41 42.351 -3.045 8.934 1.00 1.00 H new ATOM 0 HG LEU A 41 44.497 -5.169 9.009 1.00 1.00 H new ATOM 0 HD11 LEU A 41 42.984 -6.720 7.798 1.00 1.00 H new ATOM 0 HD12 LEU A 41 42.377 -6.386 9.437 1.00 1.00 H new ATOM 0 HD13 LEU A 41 41.634 -5.585 8.032 1.00 1.00 H new ATOM 0 HD21 LEU A 41 44.247 -4.965 6.549 1.00 1.00 H new ATOM 0 HD22 LEU A 41 42.895 -3.831 6.781 1.00 1.00 H new ATOM 0 HD23 LEU A 41 44.536 -3.375 7.296 1.00 1.00 H new ATOM 620 N GLY A 42 45.025 -4.775 11.510 1.00 1.00 N ATOM 621 CA GLY A 42 45.373 -5.479 12.739 1.00 1.00 C ATOM 622 C GLY A 42 46.195 -4.585 13.659 1.00 1.00 C ATOM 623 O GLY A 42 46.468 -4.939 14.805 1.00 1.00 O ATOM 0 H GLY A 42 45.288 -5.260 10.652 1.00 1.00 H new ATOM 0 HA2 GLY A 42 44.465 -5.798 13.250 1.00 1.00 H new ATOM 0 HA3 GLY A 42 45.938 -6.380 12.500 1.00 1.00 H new ATOM 627 N THR A 43 46.583 -3.422 13.145 1.00 1.00 N ATOM 628 CA THR A 43 47.374 -2.476 13.925 1.00 1.00 C ATOM 629 C THR A 43 46.832 -1.062 13.754 1.00 1.00 C ATOM 630 O THR A 43 45.788 -0.722 14.310 1.00 1.00 O ATOM 631 CB THR A 43 48.836 -2.522 13.472 1.00 1.00 C ATOM 632 OG1 THR A 43 49.506 -1.354 13.922 1.00 1.00 O ATOM 633 CG2 THR A 43 48.896 -2.592 11.945 1.00 1.00 C ATOM 0 H THR A 43 46.364 -3.113 12.198 1.00 1.00 H new ATOM 0 HA THR A 43 47.310 -2.754 14.977 1.00 1.00 H new ATOM 0 HB THR A 43 49.320 -3.403 13.893 1.00 1.00 H new ATOM 0 HG1 THR A 43 50.125 -1.044 13.228 1.00 1.00 H new ATOM 0 HG21 THR A 43 49.937 -2.625 11.623 1.00 1.00 H new ATOM 0 HG22 THR A 43 48.381 -3.489 11.601 1.00 1.00 H new ATOM 0 HG23 THR A 43 48.413 -1.712 11.521 1.00 1.00 H new ATOM 641 N THR A 44 47.552 -0.250 12.978 1.00 1.00 N ATOM 642 CA THR A 44 47.153 1.135 12.722 1.00 1.00 C ATOM 643 C THR A 44 46.451 1.741 13.934 1.00 1.00 C ATOM 644 O THR A 44 45.380 2.335 13.809 1.00 1.00 O ATOM 645 CB THR A 44 46.229 1.204 11.499 1.00 1.00 C ATOM 646 OG1 THR A 44 45.760 2.535 11.340 1.00 1.00 O ATOM 647 CG2 THR A 44 45.037 0.262 11.688 1.00 1.00 C ATOM 0 H THR A 44 48.417 -0.529 12.515 1.00 1.00 H new ATOM 0 HA THR A 44 48.057 1.712 12.525 1.00 1.00 H new ATOM 0 HB THR A 44 46.785 0.900 10.612 1.00 1.00 H new ATOM 0 HG1 THR A 44 45.227 2.790 12.122 1.00 1.00 H new ATOM 0 HG21 THR A 44 44.387 0.318 10.815 1.00 1.00 H new ATOM 0 HG22 THR A 44 45.396 -0.760 11.808 1.00 1.00 H new ATOM 0 HG23 THR A 44 44.478 0.556 12.576 1.00 1.00 H new ATOM 655 N GLY A 45 47.061 1.585 15.103 1.00 1.00 N ATOM 656 CA GLY A 45 46.487 2.120 16.333 1.00 1.00 C ATOM 657 C GLY A 45 45.862 1.010 17.170 1.00 1.00 C ATOM 658 O GLY A 45 46.131 0.896 18.366 1.00 1.00 O ATOM 0 H GLY A 45 47.948 1.096 15.226 1.00 1.00 H new ATOM 0 HA2 GLY A 45 47.261 2.624 16.911 1.00 1.00 H new ATOM 0 HA3 GLY A 45 45.732 2.868 16.091 1.00 1.00 H new ATOM 662 N ASN A 46 45.026 0.195 16.535 1.00 1.00 N ATOM 663 CA ASN A 46 44.368 -0.903 17.233 1.00 1.00 C ATOM 664 C ASN A 46 45.392 -1.755 17.977 1.00 1.00 C ATOM 665 O ASN A 46 45.032 -2.615 18.780 1.00 1.00 O ATOM 666 CB ASN A 46 43.607 -1.776 16.234 1.00 1.00 C ATOM 667 CG ASN A 46 42.552 -0.944 15.511 1.00 1.00 C ATOM 668 OD1 ASN A 46 42.300 0.202 15.886 1.00 1.00 O ATOM 669 ND2 ASN A 46 41.918 -1.455 14.492 1.00 1.00 N ATOM 0 H ASN A 46 44.789 0.273 15.546 1.00 1.00 H new ATOM 0 HA ASN A 46 43.668 -0.482 17.955 1.00 1.00 H new ATOM 0 HB2 ASN A 46 44.301 -2.206 15.512 1.00 1.00 H new ATOM 0 HB3 ASN A 46 43.132 -2.608 16.754 1.00 1.00 H new ATOM 0 HD21 ASN A 46 41.211 -0.905 14.003 1.00 1.00 H new ATOM 0 HD22 ASN A 46 42.129 -2.404 14.184 1.00 1.00 H new ATOM 676 N GLY A 47 46.670 -1.509 17.704 1.00 1.00 N ATOM 677 CA GLY A 47 47.737 -2.260 18.354 1.00 1.00 C ATOM 678 C GLY A 47 48.215 -1.547 19.614 1.00 1.00 C ATOM 679 O GLY A 47 48.576 -2.188 20.602 1.00 1.00 O ATOM 0 H GLY A 47 46.989 -0.801 17.043 1.00 1.00 H new ATOM 0 HA2 GLY A 47 47.381 -3.258 18.609 1.00 1.00 H new ATOM 0 HA3 GLY A 47 48.571 -2.386 17.664 1.00 1.00 H new ATOM 683 N LEU A 48 48.213 -0.219 19.575 1.00 1.00 N ATOM 684 CA LEU A 48 48.649 0.570 20.721 1.00 1.00 C ATOM 685 C LEU A 48 47.519 0.706 21.736 1.00 1.00 C ATOM 686 O LEU A 48 47.556 1.574 22.608 1.00 1.00 O ATOM 687 CB LEU A 48 49.094 1.961 20.262 1.00 1.00 C ATOM 688 CG LEU A 48 49.723 1.867 18.871 1.00 1.00 C ATOM 689 CD1 LEU A 48 50.301 3.227 18.479 1.00 1.00 C ATOM 690 CD2 LEU A 48 50.843 0.824 18.888 1.00 1.00 C ATOM 0 H LEU A 48 47.917 0.330 18.768 1.00 1.00 H new ATOM 0 HA LEU A 48 49.488 0.058 21.192 1.00 1.00 H new ATOM 0 HB2 LEU A 48 48.240 2.638 20.241 1.00 1.00 H new ATOM 0 HB3 LEU A 48 49.812 2.376 20.969 1.00 1.00 H new ATOM 0 HG LEU A 48 48.962 1.573 18.148 1.00 1.00 H new ATOM 0 HD11 LEU A 48 50.749 3.160 17.488 1.00 1.00 H new ATOM 0 HD12 LEU A 48 49.505 3.971 18.467 1.00 1.00 H new ATOM 0 HD13 LEU A 48 51.062 3.521 19.202 1.00 1.00 H new ATOM 0 HD21 LEU A 48 51.292 0.756 17.897 1.00 1.00 H new ATOM 0 HD22 LEU A 48 51.603 1.118 19.612 1.00 1.00 H new ATOM 0 HD23 LEU A 48 50.432 -0.146 19.167 1.00 1.00 H new ATOM 702 N VAL A 49 46.514 -0.156 21.614 1.00 1.00 N ATOM 703 CA VAL A 49 45.376 -0.123 22.525 1.00 1.00 C ATOM 704 C VAL A 49 44.983 -1.535 22.945 1.00 1.00 C ATOM 705 O VAL A 49 44.558 -1.758 24.079 1.00 1.00 O ATOM 706 CB VAL A 49 44.187 0.560 21.847 1.00 1.00 C ATOM 707 CG1 VAL A 49 43.105 0.853 22.888 1.00 1.00 C ATOM 708 CG2 VAL A 49 44.649 1.872 21.210 1.00 1.00 C ATOM 0 H VAL A 49 46.465 -0.881 20.898 1.00 1.00 H new ATOM 0 HA VAL A 49 45.661 0.440 23.414 1.00 1.00 H new ATOM 0 HB VAL A 49 43.782 -0.096 21.077 1.00 1.00 H new ATOM 0 HG11 VAL A 49 42.258 1.340 22.405 1.00 1.00 H new ATOM 0 HG12 VAL A 49 42.776 -0.081 23.343 1.00 1.00 H new ATOM 0 HG13 VAL A 49 43.510 1.509 23.658 1.00 1.00 H new ATOM 0 HG21 VAL A 49 43.802 2.360 20.727 1.00 1.00 H new ATOM 0 HG22 VAL A 49 45.054 2.528 21.981 1.00 1.00 H new ATOM 0 HG23 VAL A 49 45.420 1.665 20.468 1.00 1.00 H new ATOM 718 N LEU A 50 45.126 -2.484 22.026 1.00 1.00 N ATOM 719 CA LEU A 50 44.783 -3.872 22.313 1.00 1.00 C ATOM 720 C LEU A 50 46.041 -4.698 22.560 1.00 1.00 C ATOM 721 O LEU A 50 46.210 -5.286 23.629 1.00 1.00 O ATOM 722 CB LEU A 50 44.002 -4.470 21.141 1.00 1.00 C ATOM 723 CG LEU A 50 43.436 -5.832 21.545 1.00 1.00 C ATOM 724 CD1 LEU A 50 41.914 -5.737 21.666 1.00 1.00 C ATOM 725 CD2 LEU A 50 43.798 -6.869 20.480 1.00 1.00 C ATOM 0 H LEU A 50 45.475 -2.319 21.082 1.00 1.00 H new ATOM 0 HA LEU A 50 44.166 -3.894 23.212 1.00 1.00 H new ATOM 0 HB2 LEU A 50 43.193 -3.800 20.850 1.00 1.00 H new ATOM 0 HB3 LEU A 50 44.653 -4.578 20.274 1.00 1.00 H new ATOM 0 HG LEU A 50 43.859 -6.131 22.504 1.00 1.00 H new ATOM 0 HD11 LEU A 50 41.511 -6.708 21.954 1.00 1.00 H new ATOM 0 HD12 LEU A 50 41.655 -4.997 22.423 1.00 1.00 H new ATOM 0 HD13 LEU A 50 41.491 -5.438 20.707 1.00 1.00 H new ATOM 0 HD21 LEU A 50 43.395 -7.841 20.766 1.00 1.00 H new ATOM 0 HD22 LEU A 50 43.375 -6.569 19.521 1.00 1.00 H new ATOM 0 HD23 LEU A 50 44.882 -6.937 20.392 1.00 1.00 H new ATOM 737 N TRP A 51 46.923 -4.739 21.567 1.00 1.00 N ATOM 738 CA TRP A 51 48.163 -5.497 21.690 1.00 1.00 C ATOM 739 C TRP A 51 49.019 -4.942 22.825 1.00 1.00 C ATOM 740 O TRP A 51 49.908 -5.624 23.334 1.00 1.00 O ATOM 741 CB TRP A 51 48.947 -5.433 20.379 1.00 1.00 C ATOM 742 CG TRP A 51 50.383 -5.760 20.640 1.00 1.00 C ATOM 743 CD1 TRP A 51 51.384 -4.855 20.718 1.00 1.00 C ATOM 744 CD2 TRP A 51 50.992 -7.065 20.860 1.00 1.00 C ATOM 745 NE1 TRP A 51 52.570 -5.520 20.971 1.00 1.00 N ATOM 746 CE2 TRP A 51 52.380 -6.885 21.067 1.00 1.00 C ATOM 747 CE3 TRP A 51 50.482 -8.375 20.898 1.00 1.00 C ATOM 748 CZ2 TRP A 51 53.232 -7.965 21.304 1.00 1.00 C ATOM 749 CZ3 TRP A 51 51.336 -9.465 21.137 1.00 1.00 C ATOM 750 CH2 TRP A 51 52.708 -9.260 21.340 1.00 1.00 C ATOM 0 H TRP A 51 46.804 -4.260 20.674 1.00 1.00 H new ATOM 0 HA TRP A 51 47.912 -6.534 21.912 1.00 1.00 H new ATOM 0 HB2 TRP A 51 48.528 -6.135 19.658 1.00 1.00 H new ATOM 0 HB3 TRP A 51 48.863 -4.438 19.941 1.00 1.00 H new ATOM 0 HD1 TRP A 51 51.275 -3.787 20.602 1.00 1.00 H new ATOM 0 HE1 TRP A 51 53.474 -5.059 21.074 1.00 1.00 H new ATOM 0 HE3 TRP A 51 49.427 -8.544 20.742 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 54.288 -7.801 21.458 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 50.933 -10.467 21.164 1.00 1.00 H new ATOM 0 HH2 TRP A 51 53.359 -10.102 21.524 1.00 1.00 H new ATOM 761 N THR A 52 48.743 -3.703 23.215 1.00 1.00 N ATOM 762 CA THR A 52 49.494 -3.067 24.292 1.00 1.00 C ATOM 763 C THR A 52 49.095 -3.651 25.642 1.00 1.00 C ATOM 764 O THR A 52 49.907 -3.720 26.565 1.00 1.00 O ATOM 765 CB THR A 52 49.235 -1.558 24.289 1.00 1.00 C ATOM 766 OG1 THR A 52 50.246 -0.905 25.044 1.00 1.00 O ATOM 767 CG2 THR A 52 47.866 -1.273 24.911 1.00 1.00 C ATOM 0 H THR A 52 48.011 -3.122 22.806 1.00 1.00 H new ATOM 0 HA THR A 52 50.555 -3.254 24.129 1.00 1.00 H new ATOM 0 HB THR A 52 49.250 -1.187 23.264 1.00 1.00 H new ATOM 0 HG1 THR A 52 50.083 0.061 25.042 1.00 1.00 H new ATOM 0 HG21 THR A 52 47.682 -0.199 24.909 1.00 1.00 H new ATOM 0 HG22 THR A 52 47.091 -1.775 24.331 1.00 1.00 H new ATOM 0 HG23 THR A 52 47.848 -1.642 25.937 1.00 1.00 H new ATOM 775 N VAL A 53 47.839 -4.073 25.750 1.00 1.00 N ATOM 776 CA VAL A 53 47.342 -4.652 26.993 1.00 1.00 C ATOM 777 C VAL A 53 48.003 -5.999 27.262 1.00 1.00 C ATOM 778 O VAL A 53 48.282 -6.348 28.409 1.00 1.00 O ATOM 779 CB VAL A 53 45.824 -4.833 26.915 1.00 1.00 C ATOM 780 CG1 VAL A 53 45.250 -4.949 28.327 1.00 1.00 C ATOM 781 CG2 VAL A 53 45.203 -3.625 26.210 1.00 1.00 C ATOM 0 H VAL A 53 47.151 -4.026 24.998 1.00 1.00 H new ATOM 0 HA VAL A 53 47.586 -3.972 27.809 1.00 1.00 H new ATOM 0 HB VAL A 53 45.595 -5.739 26.355 1.00 1.00 H new ATOM 0 HG11 VAL A 53 44.169 -5.078 28.271 1.00 1.00 H new ATOM 0 HG12 VAL A 53 45.692 -5.809 28.830 1.00 1.00 H new ATOM 0 HG13 VAL A 53 45.479 -4.043 28.888 1.00 1.00 H new ATOM 0 HG21 VAL A 53 44.122 -3.753 26.154 1.00 1.00 H new ATOM 0 HG22 VAL A 53 45.433 -2.719 26.771 1.00 1.00 H new ATOM 0 HG23 VAL A 53 45.611 -3.542 25.203 1.00 1.00 H new ATOM 791 N PHE A 54 48.253 -6.753 26.195 1.00 1.00 N ATOM 792 CA PHE A 54 48.882 -8.062 26.327 1.00 1.00 C ATOM 793 C PHE A 54 50.393 -7.951 26.140 1.00 1.00 C ATOM 794 O PHE A 54 51.074 -8.951 25.912 1.00 1.00 O ATOM 795 CB PHE A 54 48.303 -9.025 25.288 1.00 1.00 C ATOM 796 CG PHE A 54 47.122 -9.755 25.882 1.00 1.00 C ATOM 797 CD1 PHE A 54 46.137 -9.043 26.578 1.00 1.00 C ATOM 798 CD2 PHE A 54 47.011 -11.143 25.739 1.00 1.00 C ATOM 799 CE1 PHE A 54 45.042 -9.719 27.129 1.00 1.00 C ATOM 800 CE2 PHE A 54 45.916 -11.819 26.290 1.00 1.00 C ATOM 801 CZ PHE A 54 44.932 -11.107 26.986 1.00 1.00 C ATOM 0 H PHE A 54 48.031 -6.482 25.237 1.00 1.00 H new ATOM 0 HA PHE A 54 48.680 -8.445 27.327 1.00 1.00 H new ATOM 0 HB2 PHE A 54 47.995 -8.475 24.399 1.00 1.00 H new ATOM 0 HB3 PHE A 54 49.065 -9.739 24.973 1.00 1.00 H new ATOM 0 HD1 PHE A 54 46.222 -7.972 26.690 1.00 1.00 H new ATOM 0 HD2 PHE A 54 47.771 -11.693 25.203 1.00 1.00 H new ATOM 0 HE1 PHE A 54 44.282 -9.169 27.665 1.00 1.00 H new ATOM 0 HE2 PHE A 54 45.830 -12.890 26.178 1.00 1.00 H new ATOM 0 HZ PHE A 54 44.088 -11.629 27.413 1.00 1.00 H new ATOM 811 N ARG A 55 50.907 -6.728 26.240 1.00 1.00 N ATOM 812 CA ARG A 55 52.339 -6.490 26.080 1.00 1.00 C ATOM 813 C ARG A 55 52.874 -5.666 27.247 1.00 1.00 C ATOM 814 O ARG A 55 53.969 -5.923 27.750 1.00 1.00 O ATOM 815 CB ARG A 55 52.600 -5.749 24.765 1.00 1.00 C ATOM 816 CG ARG A 55 54.110 -5.674 24.496 1.00 1.00 C ATOM 817 CD ARG A 55 54.680 -7.077 24.260 1.00 1.00 C ATOM 818 NE ARG A 55 55.227 -7.614 25.500 1.00 1.00 N ATOM 819 CZ ARG A 55 55.743 -8.838 25.549 1.00 1.00 C ATOM 820 NH1 ARG A 55 55.764 -9.581 24.477 1.00 1.00 N ATOM 821 NH2 ARG A 55 56.229 -9.296 26.670 1.00 1.00 N ATOM 0 H ARG A 55 50.357 -5.890 26.430 1.00 1.00 H new ATOM 0 HA ARG A 55 52.852 -7.452 26.062 1.00 1.00 H new ATOM 0 HB2 ARG A 55 52.101 -6.262 23.943 1.00 1.00 H new ATOM 0 HB3 ARG A 55 52.181 -4.744 24.815 1.00 1.00 H new ATOM 0 HG2 ARG A 55 54.300 -5.046 23.626 1.00 1.00 H new ATOM 0 HG3 ARG A 55 54.614 -5.207 25.342 1.00 1.00 H new ATOM 0 HD2 ARG A 55 53.898 -7.736 23.883 1.00 1.00 H new ATOM 0 HD3 ARG A 55 55.458 -7.038 23.498 1.00 1.00 H new ATOM 0 HE ARG A 55 55.214 -7.041 26.344 1.00 1.00 H new ATOM 0 HH11 ARG A 55 55.384 -9.223 23.601 1.00 1.00 H new ATOM 0 HH12 ARG A 55 56.160 -10.520 24.515 1.00 1.00 H new ATOM 0 HH21 ARG A 55 56.213 -8.715 27.508 1.00 1.00 H new ATOM 0 HH22 ARG A 55 56.625 -10.235 26.708 1.00 1.00 H new ATOM 835 N LYS A 56 52.096 -4.677 27.673 1.00 1.00 N ATOM 836 CA LYS A 56 52.503 -3.822 28.782 1.00 1.00 C ATOM 837 C LYS A 56 52.586 -4.625 30.076 1.00 1.00 C ATOM 838 O LYS A 56 53.065 -4.129 31.096 1.00 1.00 O ATOM 839 CB LYS A 56 51.504 -2.676 28.954 1.00 1.00 C ATOM 840 CG LYS A 56 50.112 -3.248 29.229 1.00 1.00 C ATOM 841 CD LYS A 56 49.778 -3.086 30.714 1.00 1.00 C ATOM 842 CE LYS A 56 48.391 -3.669 30.993 1.00 1.00 C ATOM 843 NZ LYS A 56 47.869 -3.116 32.273 1.00 1.00 N ATOM 0 H LYS A 56 51.187 -4.449 27.271 1.00 1.00 H new ATOM 0 HA LYS A 56 53.488 -3.414 28.557 1.00 1.00 H new ATOM 0 HB2 LYS A 56 51.813 -2.031 29.777 1.00 1.00 H new ATOM 0 HB3 LYS A 56 51.484 -2.059 28.056 1.00 1.00 H new ATOM 0 HG2 LYS A 56 49.369 -2.733 28.620 1.00 1.00 H new ATOM 0 HG3 LYS A 56 50.078 -4.301 28.951 1.00 1.00 H new ATOM 0 HD2 LYS A 56 50.526 -3.593 31.323 1.00 1.00 H new ATOM 0 HD3 LYS A 56 49.803 -2.032 30.990 1.00 1.00 H new ATOM 0 HE2 LYS A 56 47.712 -3.427 30.176 1.00 1.00 H new ATOM 0 HE3 LYS A 56 48.446 -4.756 31.050 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 46.926 -3.512 32.463 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 48.514 -3.369 33.049 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 47.802 -2.081 32.202 1.00 1.00 H new ATOM 857 N LYS A 57 52.115 -5.866 30.027 1.00 1.00 N ATOM 858 CA LYS A 57 52.140 -6.729 31.201 1.00 1.00 C ATOM 859 C LYS A 57 53.554 -6.825 31.766 1.00 1.00 C ATOM 860 O LYS A 57 53.743 -6.947 32.977 1.00 1.00 O ATOM 861 CB LYS A 57 51.640 -8.127 30.834 1.00 1.00 C ATOM 862 CG LYS A 57 50.219 -8.032 30.275 1.00 1.00 C ATOM 863 CD LYS A 57 49.229 -8.588 31.299 1.00 1.00 C ATOM 864 CE LYS A 57 47.802 -8.410 30.778 1.00 1.00 C ATOM 865 NZ LYS A 57 46.833 -8.718 31.869 1.00 1.00 N ATOM 0 H LYS A 57 51.714 -6.294 29.193 1.00 1.00 H new ATOM 0 HA LYS A 57 51.486 -6.297 31.959 1.00 1.00 H new ATOM 0 HB2 LYS A 57 52.303 -8.579 30.096 1.00 1.00 H new ATOM 0 HB3 LYS A 57 51.654 -8.772 31.713 1.00 1.00 H new ATOM 0 HG2 LYS A 57 49.976 -6.995 30.045 1.00 1.00 H new ATOM 0 HG3 LYS A 57 50.146 -8.591 29.342 1.00 1.00 H new ATOM 0 HD2 LYS A 57 49.432 -9.643 31.481 1.00 1.00 H new ATOM 0 HD3 LYS A 57 49.347 -8.072 32.252 1.00 1.00 H new ATOM 0 HE2 LYS A 57 47.657 -7.389 30.426 1.00 1.00 H new ATOM 0 HE3 LYS A 57 47.629 -9.069 29.927 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 45.862 -8.597 31.516 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 46.967 -9.700 32.185 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 46.993 -8.072 32.668 1.00 1.00 H new ATOM 879 N GLY A 58 54.544 -6.767 30.882 1.00 1.00 N ATOM 880 CA GLY A 58 55.938 -6.848 31.303 1.00 1.00 C ATOM 881 C GLY A 58 56.876 -6.507 30.152 1.00 1.00 C ATOM 882 O GLY A 58 57.359 -7.394 29.447 1.00 1.00 O ATOM 0 H GLY A 58 54.409 -6.665 29.876 1.00 1.00 H new ATOM 0 HA2 GLY A 58 56.111 -6.163 32.133 1.00 1.00 H new ATOM 0 HA3 GLY A 58 56.154 -7.852 31.668 1.00 1.00 H new ATOM 886 N HIS A 59 57.131 -5.216 29.964 1.00 1.00 N ATOM 887 CA HIS A 59 58.014 -4.769 28.894 1.00 1.00 C ATOM 888 C HIS A 59 59.385 -5.427 29.020 1.00 1.00 C ATOM 889 O HIS A 59 60.128 -5.525 28.044 1.00 1.00 O ATOM 890 CB HIS A 59 58.169 -3.248 28.946 1.00 1.00 C ATOM 891 CG HIS A 59 57.875 -2.667 27.591 1.00 1.00 C ATOM 892 ND1 HIS A 59 58.833 -1.991 26.852 1.00 1.00 N ATOM 893 CD2 HIS A 59 56.734 -2.653 26.827 1.00 1.00 C ATOM 894 CE1 HIS A 59 58.257 -1.602 25.700 1.00 1.00 C ATOM 895 NE2 HIS A 59 56.978 -1.979 25.633 1.00 1.00 N ATOM 0 H HIS A 59 56.741 -4.466 30.535 1.00 1.00 H new ATOM 0 HA HIS A 59 57.572 -5.057 27.940 1.00 1.00 H new ATOM 0 HB2 HIS A 59 57.490 -2.828 29.688 1.00 1.00 H new ATOM 0 HB3 HIS A 59 59.181 -2.985 29.254 1.00 1.00 H new ATOM 0 HD2 HIS A 59 55.791 -3.097 27.109 1.00 1.00 H new ATOM 0 HE1 HIS A 59 58.767 -1.051 24.924 1.00 1.00 H new ATOM 0 HE2 HIS A 59 56.321 -1.810 24.871 1.00 1.00 H new ATOM 903 N HIS A 60 59.711 -5.875 30.227 1.00 1.00 N ATOM 904 CA HIS A 60 60.996 -6.521 30.469 1.00 1.00 C ATOM 905 C HIS A 60 60.827 -7.716 31.403 1.00 1.00 C ATOM 906 O HIS A 60 61.499 -8.736 31.250 1.00 1.00 O ATOM 907 CB HIS A 60 61.976 -5.522 31.088 1.00 1.00 C ATOM 908 CG HIS A 60 62.691 -6.171 32.241 1.00 1.00 C ATOM 909 ND1 HIS A 60 62.369 -6.290 33.571 1.00 1.00 N flip ATOM 910 CD2 HIS A 60 63.914 -6.806 32.090 1.00 1.00 C flip ATOM 911 CE1 HIS A 60 63.372 -6.987 34.235 1.00 1.00 C flip ATOM 912 NE2 HIS A 60 64.279 -7.274 33.297 1.00 1.00 N flip ATOM 0 H HIS A 60 59.109 -5.804 31.047 1.00 1.00 H new ATOM 0 HA HIS A 60 61.390 -6.872 29.515 1.00 1.00 H new ATOM 0 HB2 HIS A 60 62.696 -5.191 30.340 1.00 1.00 H new ATOM 0 HB3 HIS A 60 61.441 -4.636 31.430 1.00 1.00 H new ATOM 0 HD2 HIS A 60 64.472 -6.907 31.171 1.00 1.00 H new ATOM 0 HE1 HIS A 60 63.410 -7.242 35.284 1.00 1.00 H new ATOM 0 HE2 HIS A 60 65.143 -7.786 33.475 1.00 1.00 H new ATOM 920 N HIS A 61 59.926 -7.582 32.370 1.00 1.00 N ATOM 921 CA HIS A 61 59.677 -8.657 33.323 1.00 1.00 C ATOM 922 C HIS A 61 58.935 -9.807 32.651 1.00 1.00 C ATOM 923 O HIS A 61 58.008 -10.380 33.224 1.00 1.00 O ATOM 924 CB HIS A 61 58.851 -8.131 34.499 1.00 1.00 C ATOM 925 CG HIS A 61 59.724 -7.292 35.390 1.00 1.00 C ATOM 926 ND1 HIS A 61 60.814 -7.603 36.164 1.00 1.00 N flip ATOM 927 CD2 HIS A 61 59.512 -5.933 35.564 1.00 1.00 C flip ATOM 928 CE1 HIS A 61 61.273 -6.459 36.808 1.00 1.00 C flip ATOM 929 NE2 HIS A 61 60.454 -5.480 36.412 1.00 1.00 N flip ATOM 0 H HIS A 61 59.360 -6.746 32.514 1.00 1.00 H new ATOM 0 HA HIS A 61 60.636 -9.023 33.688 1.00 1.00 H new ATOM 0 HB2 HIS A 61 58.012 -7.539 34.132 1.00 1.00 H new ATOM 0 HB3 HIS A 61 58.431 -8.964 35.063 1.00 1.00 H new ATOM 0 HD2 HIS A 61 58.733 -5.345 35.103 1.00 1.00 H new ATOM 0 HE1 HIS A 61 62.112 -6.379 37.484 1.00 1.00 H new ATOM 0 HE2 HIS A 61 60.533 -4.509 36.715 1.00 1.00 H new ATOM 937 N HIS A 62 59.349 -10.142 31.433 1.00 1.00 N ATOM 938 CA HIS A 62 58.715 -11.226 30.692 1.00 1.00 C ATOM 939 C HIS A 62 58.556 -12.457 31.577 1.00 1.00 C ATOM 940 O HIS A 62 57.515 -12.654 32.203 1.00 1.00 O ATOM 941 CB HIS A 62 59.557 -11.581 29.465 1.00 1.00 C ATOM 942 CG HIS A 62 60.990 -11.194 29.710 1.00 1.00 C ATOM 943 ND1 HIS A 62 61.731 -11.723 30.755 1.00 1.00 N ATOM 944 CD2 HIS A 62 61.831 -10.330 29.054 1.00 1.00 C ATOM 945 CE1 HIS A 62 62.960 -11.178 30.698 1.00 1.00 C ATOM 946 NE2 HIS A 62 63.074 -10.322 29.680 1.00 1.00 N ATOM 0 H HIS A 62 60.115 -9.682 30.941 1.00 1.00 H new ATOM 0 HA HIS A 62 57.728 -10.894 30.371 1.00 1.00 H new ATOM 0 HB2 HIS A 62 59.488 -12.649 29.260 1.00 1.00 H new ATOM 0 HB3 HIS A 62 59.174 -11.062 28.586 1.00 1.00 H new ATOM 0 HD2 HIS A 62 61.568 -9.746 28.185 1.00 1.00 H new ATOM 0 HE1 HIS A 62 63.757 -11.405 31.391 1.00 1.00 H new ATOM 0 HE2 HIS A 62 63.896 -9.778 29.417 1.00 1.00 H new ATOM 954 N HIS A 63 59.595 -13.285 31.623 1.00 1.00 N ATOM 955 CA HIS A 63 59.560 -14.496 32.435 1.00 1.00 C ATOM 956 C HIS A 63 60.974 -14.947 32.788 1.00 1.00 C ATOM 957 O HIS A 63 61.768 -15.276 31.907 1.00 1.00 O ATOM 958 CB HIS A 63 58.841 -15.612 31.676 1.00 1.00 C ATOM 959 CG HIS A 63 59.112 -16.931 32.348 1.00 1.00 C ATOM 960 ND1 HIS A 63 58.363 -17.380 33.425 1.00 1.00 N ATOM 961 CD2 HIS A 63 60.046 -17.908 32.108 1.00 1.00 C ATOM 962 CE1 HIS A 63 58.854 -18.578 33.789 1.00 1.00 C ATOM 963 NE2 HIS A 63 59.882 -18.947 33.019 1.00 1.00 N ATOM 0 H HIS A 63 60.466 -13.141 31.111 1.00 1.00 H new ATOM 0 HA HIS A 63 59.021 -14.277 33.357 1.00 1.00 H new ATOM 0 HB2 HIS A 63 57.769 -15.418 31.652 1.00 1.00 H new ATOM 0 HB3 HIS A 63 59.183 -15.642 30.641 1.00 1.00 H new ATOM 0 HD2 HIS A 63 60.795 -17.875 31.330 1.00 1.00 H new ATOM 0 HE1 HIS A 63 58.465 -19.170 34.604 1.00 1.00 H new ATOM 0 HE2 HIS A 63 60.429 -19.806 33.085 1.00 1.00 H new ATOM 971 N HIS A 64 61.281 -14.957 34.081 1.00 1.00 N ATOM 972 CA HIS A 64 62.603 -15.369 34.538 1.00 1.00 C ATOM 973 C HIS A 64 62.492 -16.224 35.797 1.00 1.00 C ATOM 974 O HIS A 64 61.608 -15.957 36.595 1.00 1.00 O ATOM 975 CB HIS A 64 63.462 -14.137 34.831 1.00 1.00 C ATOM 976 CG HIS A 64 64.687 -14.550 35.599 1.00 1.00 C ATOM 977 ND1 HIS A 64 64.892 -14.801 36.933 1.00 1.00 N flip ATOM 978 CD2 HIS A 64 65.912 -14.755 34.984 1.00 1.00 C flip ATOM 979 CE1 HIS A 64 66.221 -15.155 37.144 1.00 1.00 C flip ATOM 980 NE2 HIS A 64 66.791 -15.112 35.937 1.00 1.00 N flip ATOM 981 OXT HIS A 64 63.292 -17.133 35.944 1.00 1.00 O ATOM 0 H HIS A 64 60.638 -14.687 34.825 1.00 1.00 H new ATOM 0 HA HIS A 64 63.071 -15.960 33.751 1.00 1.00 H new ATOM 0 HB2 HIS A 64 63.751 -13.652 33.899 1.00 1.00 H new ATOM 0 HB3 HIS A 64 62.889 -13.409 35.405 1.00 1.00 H new ATOM 0 HD2 HIS A 64 66.123 -14.647 33.930 1.00 1.00 H new ATOM 0 HE1 HIS A 64 66.691 -15.410 38.082 1.00 1.00 H new ATOM 0 HE2 HIS A 64 67.773 -15.324 35.760 1.00 1.00 H new TER 989 HIS A 64