USER MOD reduce.3.24.130724 H: found=0, std=0, add=448, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 448 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 GLY N :NH3+ 176:sc= 0 (180deg=-0.0245) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 169:sc= -1.31 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl 142:sc= -0.645 (180deg=-2.13!) USER MOD Single : A 13 ASN : amide:sc= -0.287 X(o=-0.29,f=0.093) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -0.106 K(o=-0.11,f=-0.69) USER MOD Single : A 28 SER OG : rot -100:sc= 1.2 USER MOD Single : A 29 SER OG : rot 103:sc= 1.33 USER MOD Single : A 31 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00784) USER MOD Single : A 33 GLN : amide:sc= 0.0361 X(o=0.036,f=0) USER MOD Single : A 34 ASN : amide:sc= -0.19 K(o=-0.19,f=-1.3) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.108 USER MOD Single : A 39 HIS : no HD1:sc= 0.958 K(o=0.96,f=-4.3!) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 63 ASN : amide:sc= 0.276 K(o=0.28,f=-4.6!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.685 3.326 -20.085 1.00 0.00 N ATOM 2 CA GLY A 1 -0.800 4.785 -19.852 1.00 0.00 C ATOM 3 C GLY A 1 -2.107 5.164 -19.190 1.00 0.00 C ATOM 4 O GLY A 1 -2.719 6.172 -19.543 1.00 0.00 O ATOM 0 H1 GLY A 1 0.196 3.125 -20.600 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.673 2.829 -19.172 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.497 2.999 -20.647 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.030 5.117 -19.228 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.713 5.310 -20.803 1.00 0.00 H new ATOM 10 N SER A 2 -2.541 4.365 -18.232 1.00 0.00 N ATOM 11 CA SER A 2 -3.783 4.625 -17.524 1.00 0.00 C ATOM 12 C SER A 2 -3.583 4.421 -16.033 1.00 0.00 C ATOM 13 O SER A 2 -4.531 4.173 -15.286 1.00 0.00 O ATOM 14 CB SER A 2 -4.883 3.699 -18.042 1.00 0.00 C ATOM 15 OG SER A 2 -5.035 3.829 -19.449 1.00 0.00 O ATOM 0 H SER A 2 -2.049 3.526 -17.925 1.00 0.00 H new ATOM 0 HA SER A 2 -4.083 5.658 -17.699 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.642 2.666 -17.792 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.825 3.935 -17.547 1.00 0.00 H new ATOM 0 HG SER A 2 -5.743 3.226 -19.759 1.00 0.00 H new ATOM 21 N ALA A 3 -2.348 4.550 -15.606 1.00 0.00 N ATOM 22 CA ALA A 3 -2.000 4.353 -14.223 1.00 0.00 C ATOM 23 C ALA A 3 -2.339 5.574 -13.385 1.00 0.00 C ATOM 24 O ALA A 3 -1.726 6.634 -13.531 1.00 0.00 O ATOM 25 CB ALA A 3 -0.525 4.026 -14.100 1.00 0.00 C ATOM 0 H ALA A 3 -1.561 4.794 -16.207 1.00 0.00 H new ATOM 0 HA ALA A 3 -2.587 3.516 -13.844 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -0.271 3.879 -13.050 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -0.307 3.115 -14.657 1.00 0.00 H new ATOM 0 HB3 ALA A 3 0.065 4.849 -14.504 1.00 0.00 H new ATOM 31 N LEU A 4 -3.327 5.424 -12.519 1.00 0.00 N ATOM 32 CA LEU A 4 -3.700 6.485 -11.588 1.00 0.00 C ATOM 33 C LEU A 4 -2.653 6.569 -10.490 1.00 0.00 C ATOM 34 O LEU A 4 -2.428 7.623 -9.892 1.00 0.00 O ATOM 35 CB LEU A 4 -5.078 6.201 -10.955 1.00 0.00 C ATOM 36 CG LEU A 4 -5.141 5.037 -9.940 1.00 0.00 C ATOM 37 CD1 LEU A 4 -6.418 5.111 -9.119 1.00 0.00 C ATOM 38 CD2 LEU A 4 -5.058 3.684 -10.641 1.00 0.00 C ATOM 0 H LEU A 4 -3.889 4.577 -12.438 1.00 0.00 H new ATOM 0 HA LEU A 4 -3.757 7.427 -12.133 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -5.418 7.108 -10.456 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -5.786 5.994 -11.757 1.00 0.00 H new ATOM 0 HG LEU A 4 -4.282 5.135 -9.276 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -6.444 4.283 -8.410 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -6.447 6.055 -8.575 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -7.281 5.048 -9.782 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -5.105 2.887 -9.899 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -5.891 3.583 -11.336 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -4.118 3.615 -11.189 1.00 0.00 H new ATOM 50 N ASP A 5 -2.016 5.445 -10.256 1.00 0.00 N ATOM 51 CA ASP A 5 -0.954 5.338 -9.290 1.00 0.00 C ATOM 52 C ASP A 5 -0.010 4.244 -9.737 1.00 0.00 C ATOM 53 O ASP A 5 -0.442 3.271 -10.358 1.00 0.00 O ATOM 54 CB ASP A 5 -1.498 5.020 -7.893 1.00 0.00 C ATOM 55 CG ASP A 5 -0.520 5.391 -6.785 1.00 0.00 C ATOM 56 OD1 ASP A 5 0.709 5.170 -6.957 1.00 0.00 O ATOM 57 OD2 ASP A 5 -0.978 5.902 -5.738 1.00 0.00 O ATOM 0 H ASP A 5 -2.225 4.571 -10.738 1.00 0.00 H new ATOM 0 HA ASP A 5 -0.432 6.293 -9.229 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -2.434 5.557 -7.741 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -1.727 3.956 -7.830 1.00 0.00 H new ATOM 62 N PHE A 6 1.251 4.386 -9.429 1.00 0.00 N ATOM 63 CA PHE A 6 2.235 3.409 -9.832 1.00 0.00 C ATOM 64 C PHE A 6 2.519 2.447 -8.686 1.00 0.00 C ATOM 65 O PHE A 6 2.959 1.315 -8.902 1.00 0.00 O ATOM 66 CB PHE A 6 3.531 4.096 -10.316 1.00 0.00 C ATOM 67 CG PHE A 6 4.294 4.843 -9.247 1.00 0.00 C ATOM 68 CD1 PHE A 6 3.786 6.007 -8.686 1.00 0.00 C ATOM 69 CD2 PHE A 6 5.524 4.379 -8.807 1.00 0.00 C ATOM 70 CE1 PHE A 6 4.489 6.687 -7.710 1.00 0.00 C ATOM 71 CE2 PHE A 6 6.231 5.055 -7.832 1.00 0.00 C ATOM 72 CZ PHE A 6 5.712 6.210 -7.283 1.00 0.00 C ATOM 0 H PHE A 6 1.626 5.172 -8.898 1.00 0.00 H new ATOM 0 HA PHE A 6 1.834 2.838 -10.669 1.00 0.00 H new ATOM 0 HB2 PHE A 6 4.186 3.339 -10.748 1.00 0.00 H new ATOM 0 HB3 PHE A 6 3.279 4.793 -11.115 1.00 0.00 H new ATOM 0 HD1 PHE A 6 2.830 6.385 -9.016 1.00 0.00 H new ATOM 0 HD2 PHE A 6 5.935 3.476 -9.233 1.00 0.00 H new ATOM 0 HE1 PHE A 6 4.082 7.591 -7.282 1.00 0.00 H new ATOM 0 HE2 PHE A 6 7.188 4.681 -7.500 1.00 0.00 H new ATOM 0 HZ PHE A 6 6.262 6.740 -6.520 1.00 0.00 H new ATOM 82 N THR A 7 2.266 2.909 -7.474 1.00 0.00 N ATOM 83 CA THR A 7 2.464 2.113 -6.279 1.00 0.00 C ATOM 84 C THR A 7 1.170 2.032 -5.479 1.00 0.00 C ATOM 85 O THR A 7 0.197 2.697 -5.798 1.00 0.00 O ATOM 86 CB THR A 7 3.561 2.725 -5.393 1.00 0.00 C ATOM 87 OG1 THR A 7 3.362 4.140 -5.296 1.00 0.00 O ATOM 88 CG2 THR A 7 4.944 2.440 -5.958 1.00 0.00 C ATOM 0 H THR A 7 1.916 3.850 -7.292 1.00 0.00 H new ATOM 0 HA THR A 7 2.768 1.113 -6.589 1.00 0.00 H new ATOM 0 HB THR A 7 3.497 2.272 -4.403 1.00 0.00 H new ATOM 0 HG1 THR A 7 3.944 4.505 -4.597 1.00 0.00 H new ATOM 0 HG21 THR A 7 5.700 2.885 -5.311 1.00 0.00 H new ATOM 0 HG22 THR A 7 5.100 1.363 -6.011 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.024 2.868 -6.957 1.00 0.00 H new ATOM 96 N SER A 8 1.143 1.192 -4.474 1.00 0.00 N ATOM 97 CA SER A 8 -0.013 1.112 -3.606 1.00 0.00 C ATOM 98 C SER A 8 0.012 2.223 -2.539 1.00 0.00 C ATOM 99 O SER A 8 -1.032 2.697 -2.098 1.00 0.00 O ATOM 100 CB SER A 8 -0.073 -0.261 -2.938 1.00 0.00 C ATOM 101 OG SER A 8 -0.052 -1.296 -3.911 1.00 0.00 O ATOM 0 H SER A 8 1.903 0.555 -4.235 1.00 0.00 H new ATOM 0 HA SER A 8 -0.905 1.253 -4.216 1.00 0.00 H new ATOM 0 HB2 SER A 8 0.771 -0.377 -2.258 1.00 0.00 H new ATOM 0 HB3 SER A 8 -0.979 -0.339 -2.337 1.00 0.00 H new ATOM 0 HG SER A 8 -0.089 -2.167 -3.463 1.00 0.00 H new ATOM 107 N CYS A 9 1.211 2.640 -2.145 1.00 0.00 N ATOM 108 CA CYS A 9 1.362 3.598 -1.049 1.00 0.00 C ATOM 109 C CYS A 9 1.688 5.019 -1.481 1.00 0.00 C ATOM 110 O CYS A 9 2.089 5.833 -0.647 1.00 0.00 O ATOM 111 CB CYS A 9 2.412 3.118 -0.066 1.00 0.00 C ATOM 112 SG CYS A 9 1.808 1.885 1.120 1.00 0.00 S ATOM 0 H CYS A 9 2.089 2.333 -2.564 1.00 0.00 H new ATOM 0 HA CYS A 9 0.380 3.643 -0.579 1.00 0.00 H new ATOM 0 HB2 CYS A 9 3.247 2.693 -0.622 1.00 0.00 H new ATOM 0 HB3 CYS A 9 2.799 3.976 0.484 1.00 0.00 H new ATOM 117 N ALA A 10 1.507 5.347 -2.742 1.00 0.00 N ATOM 118 CA ALA A 10 1.775 6.716 -3.183 1.00 0.00 C ATOM 119 C ALA A 10 0.740 7.674 -2.609 1.00 0.00 C ATOM 120 O ALA A 10 0.956 8.885 -2.541 1.00 0.00 O ATOM 121 CB ALA A 10 1.820 6.804 -4.687 1.00 0.00 C ATOM 0 H ALA A 10 1.184 4.710 -3.470 1.00 0.00 H new ATOM 0 HA ALA A 10 2.756 7.008 -2.807 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.021 7.833 -4.985 1.00 0.00 H new ATOM 0 HB2 ALA A 10 2.610 6.156 -5.066 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.862 6.487 -5.099 1.00 0.00 H new ATOM 127 N ARG A 11 -0.371 7.113 -2.152 1.00 0.00 N ATOM 128 CA ARG A 11 -1.444 7.897 -1.551 1.00 0.00 C ATOM 129 C ARG A 11 -0.958 8.583 -0.274 1.00 0.00 C ATOM 130 O ARG A 11 -1.615 9.477 0.238 1.00 0.00 O ATOM 131 CB ARG A 11 -2.678 7.029 -1.217 1.00 0.00 C ATOM 132 CG ARG A 11 -2.630 5.594 -1.726 1.00 0.00 C ATOM 133 CD ARG A 11 -2.810 5.516 -3.234 1.00 0.00 C ATOM 134 NE ARG A 11 -4.154 5.924 -3.644 1.00 0.00 N ATOM 135 CZ ARG A 11 -4.450 6.505 -4.809 1.00 0.00 C ATOM 136 NH1 ARG A 11 -3.499 6.747 -5.706 1.00 0.00 N ATOM 137 NH2 ARG A 11 -5.705 6.836 -5.079 1.00 0.00 N ATOM 0 H ARG A 11 -0.554 6.110 -2.186 1.00 0.00 H new ATOM 0 HA ARG A 11 -1.737 8.646 -2.287 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.803 7.008 -0.134 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -3.563 7.513 -1.630 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -1.676 5.144 -1.451 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -3.410 5.010 -1.237 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -2.072 6.154 -3.721 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -2.622 4.496 -3.570 1.00 0.00 H new ATOM 0 HE ARG A 11 -4.920 5.752 -2.993 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -2.533 6.488 -5.507 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -3.736 7.191 -6.593 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -6.440 6.647 -4.398 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -5.935 7.280 -5.968 1.00 0.00 H new ATOM 151 N MET A 12 0.205 8.150 0.246 1.00 0.00 N ATOM 152 CA MET A 12 0.775 8.730 1.467 1.00 0.00 C ATOM 153 C MET A 12 0.967 10.250 1.341 1.00 0.00 C ATOM 154 O MET A 12 1.124 10.944 2.342 1.00 0.00 O ATOM 155 CB MET A 12 2.123 8.078 1.825 1.00 0.00 C ATOM 156 CG MET A 12 3.269 8.469 0.890 1.00 0.00 C ATOM 157 SD MET A 12 4.908 8.104 1.573 1.00 0.00 S ATOM 158 CE MET A 12 4.846 6.322 1.718 1.00 0.00 C ATOM 0 H MET A 12 0.765 7.401 -0.163 1.00 0.00 H new ATOM 0 HA MET A 12 0.059 8.531 2.265 1.00 0.00 H new ATOM 0 HB2 MET A 12 2.389 8.354 2.845 1.00 0.00 H new ATOM 0 HB3 MET A 12 2.007 6.994 1.808 1.00 0.00 H new ATOM 0 HG2 MET A 12 3.152 7.942 -0.057 1.00 0.00 H new ATOM 0 HG3 MET A 12 3.203 9.535 0.672 1.00 0.00 H new ATOM 0 HE1 MET A 12 5.818 5.902 1.460 1.00 0.00 H new ATOM 0 HE2 MET A 12 4.593 6.049 2.743 1.00 0.00 H new ATOM 0 HE3 MET A 12 4.089 5.928 1.040 1.00 0.00 H new ATOM 168 N ASN A 13 0.957 10.762 0.111 1.00 0.00 N ATOM 169 CA ASN A 13 1.129 12.195 -0.108 1.00 0.00 C ATOM 170 C ASN A 13 -0.151 12.804 -0.677 1.00 0.00 C ATOM 171 O ASN A 13 -0.119 13.826 -1.369 1.00 0.00 O ATOM 172 CB ASN A 13 2.336 12.501 -1.024 1.00 0.00 C ATOM 173 CG ASN A 13 2.259 11.832 -2.383 1.00 0.00 C ATOM 174 OD1 ASN A 13 1.568 12.305 -3.286 1.00 0.00 O ATOM 175 ND2 ASN A 13 3.011 10.763 -2.557 1.00 0.00 N ATOM 0 H ASN A 13 0.833 10.212 -0.739 1.00 0.00 H new ATOM 0 HA ASN A 13 1.337 12.652 0.860 1.00 0.00 H new ATOM 0 HB2 ASN A 13 2.410 13.579 -1.164 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.250 12.182 -0.524 1.00 0.00 H new ATOM 0 HD21 ASN A 13 3.034 10.298 -3.465 1.00 0.00 H new ATOM 0 HD22 ASN A 13 3.570 10.401 -1.784 1.00 0.00 H new ATOM 182 N ASP A 14 -1.279 12.186 -0.350 1.00 0.00 N ATOM 183 CA ASP A 14 -2.588 12.641 -0.818 1.00 0.00 C ATOM 184 C ASP A 14 -3.388 13.176 0.372 1.00 0.00 C ATOM 185 O ASP A 14 -4.607 13.313 0.317 1.00 0.00 O ATOM 186 CB ASP A 14 -3.347 11.477 -1.495 1.00 0.00 C ATOM 187 CG ASP A 14 -4.618 11.919 -2.204 1.00 0.00 C ATOM 188 OD1 ASP A 14 -4.532 12.744 -3.139 1.00 0.00 O ATOM 189 OD2 ASP A 14 -5.708 11.426 -1.847 1.00 0.00 O ATOM 0 H ASP A 14 -1.316 11.358 0.245 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.456 13.436 -1.552 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -2.687 10.992 -2.215 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -3.600 10.731 -0.742 1.00 0.00 H new ATOM 194 N GLY A 15 -2.681 13.494 1.442 1.00 0.00 N ATOM 195 CA GLY A 15 -3.329 13.978 2.642 1.00 0.00 C ATOM 196 C GLY A 15 -3.448 12.894 3.687 1.00 0.00 C ATOM 197 O GLY A 15 -3.058 11.751 3.444 1.00 0.00 O ATOM 0 H GLY A 15 -1.665 13.426 1.502 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.763 14.816 3.049 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.321 14.355 2.393 1.00 0.00 H new ATOM 201 N ALA A 16 -3.975 13.246 4.854 1.00 0.00 N ATOM 202 CA ALA A 16 -4.171 12.283 5.937 1.00 0.00 C ATOM 203 C ALA A 16 -5.092 11.144 5.500 1.00 0.00 C ATOM 204 O ALA A 16 -4.943 10.001 5.943 1.00 0.00 O ATOM 205 CB ALA A 16 -4.724 12.980 7.167 1.00 0.00 C ATOM 0 H ALA A 16 -4.276 14.195 5.077 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.203 11.850 6.188 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -4.865 12.252 7.965 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.024 13.748 7.496 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.681 13.442 6.924 1.00 0.00 H new ATOM 211 N LEU A 17 -6.037 11.460 4.621 1.00 0.00 N ATOM 212 CA LEU A 17 -6.938 10.454 4.084 1.00 0.00 C ATOM 213 C LEU A 17 -6.139 9.530 3.179 1.00 0.00 C ATOM 214 O LEU A 17 -6.293 8.313 3.218 1.00 0.00 O ATOM 215 CB LEU A 17 -8.083 11.113 3.301 1.00 0.00 C ATOM 216 CG LEU A 17 -9.441 10.382 3.326 1.00 0.00 C ATOM 217 CD1 LEU A 17 -9.358 9.026 2.642 1.00 0.00 C ATOM 218 CD2 LEU A 17 -9.936 10.228 4.758 1.00 0.00 C ATOM 0 H LEU A 17 -6.197 12.403 4.268 1.00 0.00 H new ATOM 0 HA LEU A 17 -7.382 9.884 4.900 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -8.230 12.120 3.693 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.770 11.218 2.262 1.00 0.00 H new ATOM 0 HG LEU A 17 -10.155 10.990 2.770 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -10.333 8.540 2.679 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -9.058 9.160 1.603 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -8.623 8.405 3.154 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -10.895 9.710 4.758 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -9.212 9.651 5.333 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -10.055 11.213 5.210 1.00 0.00 H new ATOM 230 N GLY A 18 -5.273 10.129 2.371 1.00 0.00 N ATOM 231 CA GLY A 18 -4.396 9.365 1.516 1.00 0.00 C ATOM 232 C GLY A 18 -3.524 8.422 2.311 1.00 0.00 C ATOM 233 O GLY A 18 -3.296 7.289 1.902 1.00 0.00 O ATOM 0 H GLY A 18 -5.165 11.140 2.295 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -4.990 8.796 0.801 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.767 10.044 0.940 1.00 0.00 H new ATOM 237 N ALA A 19 -3.035 8.901 3.456 1.00 0.00 N ATOM 238 CA ALA A 19 -2.217 8.095 4.344 1.00 0.00 C ATOM 239 C ALA A 19 -2.980 6.864 4.769 1.00 0.00 C ATOM 240 O ALA A 19 -2.420 5.772 4.888 1.00 0.00 O ATOM 241 CB ALA A 19 -1.786 8.907 5.557 1.00 0.00 C ATOM 0 H ALA A 19 -3.197 9.852 3.786 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.319 7.783 3.811 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.174 8.286 6.211 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.207 9.771 5.230 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.668 9.246 6.100 1.00 0.00 H new ATOM 247 N LYS A 20 -4.266 7.057 4.994 1.00 0.00 N ATOM 248 CA LYS A 20 -5.149 5.983 5.376 1.00 0.00 C ATOM 249 C LYS A 20 -5.315 4.997 4.234 1.00 0.00 C ATOM 250 O LYS A 20 -5.223 3.792 4.433 1.00 0.00 O ATOM 251 CB LYS A 20 -6.509 6.540 5.767 1.00 0.00 C ATOM 252 CG LYS A 20 -7.158 5.799 6.909 1.00 0.00 C ATOM 253 CD LYS A 20 -6.395 6.027 8.201 1.00 0.00 C ATOM 254 CE LYS A 20 -6.381 7.496 8.574 1.00 0.00 C ATOM 255 NZ LYS A 20 -5.969 7.707 9.984 1.00 0.00 N ATOM 0 H LYS A 20 -4.723 7.965 4.916 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.710 5.465 6.229 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.398 7.589 6.042 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.169 6.506 4.900 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.189 6.133 7.026 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -7.192 4.733 6.684 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.852 5.449 9.004 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.372 5.667 8.091 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.699 8.032 7.913 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -7.374 7.919 8.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -5.973 8.725 10.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -6.634 7.218 10.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.012 7.327 10.127 1.00 0.00 H new ATOM 269 N VAL A 21 -5.560 5.513 3.037 1.00 0.00 N ATOM 270 CA VAL A 21 -5.712 4.665 1.861 1.00 0.00 C ATOM 271 C VAL A 21 -4.444 3.864 1.622 1.00 0.00 C ATOM 272 O VAL A 21 -4.494 2.653 1.405 1.00 0.00 O ATOM 273 CB VAL A 21 -6.024 5.493 0.591 1.00 0.00 C ATOM 274 CG1 VAL A 21 -6.304 4.573 -0.585 1.00 0.00 C ATOM 275 CG2 VAL A 21 -7.197 6.428 0.830 1.00 0.00 C ATOM 0 H VAL A 21 -5.658 6.512 2.854 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.550 3.996 2.055 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.150 6.101 0.355 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.522 5.170 -1.470 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.431 3.948 -0.774 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.161 3.939 -0.355 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -7.397 6.999 -0.076 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -8.079 5.845 1.094 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.957 7.112 1.644 1.00 0.00 H new ATOM 285 N ALA A 22 -3.314 4.555 1.669 1.00 0.00 N ATOM 286 CA ALA A 22 -2.025 3.933 1.482 1.00 0.00 C ATOM 287 C ALA A 22 -1.809 2.801 2.480 1.00 0.00 C ATOM 288 O ALA A 22 -1.525 1.669 2.089 1.00 0.00 O ATOM 289 CB ALA A 22 -0.926 4.977 1.608 1.00 0.00 C ATOM 0 H ALA A 22 -3.272 5.560 1.838 1.00 0.00 H new ATOM 0 HA ALA A 22 -1.992 3.501 0.482 1.00 0.00 H new ATOM 0 HB1 ALA A 22 0.045 4.502 1.466 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.067 5.747 0.850 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -0.967 5.430 2.598 1.00 0.00 H new ATOM 295 N GLN A 23 -1.966 3.104 3.765 1.00 0.00 N ATOM 296 CA GLN A 23 -1.752 2.109 4.803 1.00 0.00 C ATOM 297 C GLN A 23 -2.745 0.962 4.681 1.00 0.00 C ATOM 298 O GLN A 23 -2.379 -0.189 4.835 1.00 0.00 O ATOM 299 CB GLN A 23 -1.806 2.729 6.201 1.00 0.00 C ATOM 300 CG GLN A 23 -3.189 3.094 6.684 1.00 0.00 C ATOM 301 CD GLN A 23 -3.172 3.737 8.050 1.00 0.00 C ATOM 302 OE1 GLN A 23 -3.018 4.956 8.180 1.00 0.00 O ATOM 303 NE2 GLN A 23 -3.347 2.933 9.077 1.00 0.00 N ATOM 0 H GLN A 23 -2.239 4.025 4.108 1.00 0.00 H new ATOM 0 HA GLN A 23 -0.750 1.706 4.660 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -1.363 2.029 6.910 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -1.186 3.626 6.209 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -3.652 3.776 5.970 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -3.808 2.197 6.715 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -3.471 1.932 8.926 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -3.359 3.311 10.024 1.00 0.00 H new ATOM 312 N ALA A 24 -3.996 1.285 4.374 1.00 0.00 N ATOM 313 CA ALA A 24 -5.038 0.274 4.245 1.00 0.00 C ATOM 314 C ALA A 24 -4.711 -0.681 3.116 1.00 0.00 C ATOM 315 O ALA A 24 -4.753 -1.904 3.289 1.00 0.00 O ATOM 316 CB ALA A 24 -6.394 0.927 4.006 1.00 0.00 C ATOM 0 H ALA A 24 -4.313 2.240 4.210 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.085 -0.289 5.177 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.158 0.155 3.912 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.637 1.578 4.845 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.358 1.515 3.089 1.00 0.00 H new ATOM 322 N ALA A 25 -4.380 -0.120 1.962 1.00 0.00 N ATOM 323 CA ALA A 25 -4.005 -0.908 0.803 1.00 0.00 C ATOM 324 C ALA A 25 -2.760 -1.735 1.091 1.00 0.00 C ATOM 325 O ALA A 25 -2.637 -2.869 0.633 1.00 0.00 O ATOM 326 CB ALA A 25 -3.774 -0.006 -0.401 1.00 0.00 C ATOM 0 H ALA A 25 -4.365 0.888 1.806 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.824 -1.590 0.576 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.493 -0.613 -1.262 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.689 0.542 -0.626 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -2.974 0.700 -0.179 1.00 0.00 H new ATOM 332 N CYS A 26 -1.853 -1.172 1.873 1.00 0.00 N ATOM 333 CA CYS A 26 -0.610 -1.843 2.203 1.00 0.00 C ATOM 334 C CYS A 26 -0.850 -2.998 3.173 1.00 0.00 C ATOM 335 O CYS A 26 -0.492 -4.140 2.888 1.00 0.00 O ATOM 336 CB CYS A 26 0.389 -0.851 2.799 1.00 0.00 C ATOM 337 SG CYS A 26 2.077 -1.502 2.932 1.00 0.00 S ATOM 0 H CYS A 26 -1.957 -0.248 2.292 1.00 0.00 H new ATOM 0 HA CYS A 26 -0.194 -2.253 1.283 1.00 0.00 H new ATOM 0 HB2 CYS A 26 0.404 0.049 2.184 1.00 0.00 H new ATOM 0 HB3 CYS A 26 0.045 -0.554 3.790 1.00 0.00 H new ATOM 342 N ILE A 27 -1.497 -2.700 4.303 1.00 0.00 N ATOM 343 CA ILE A 27 -1.767 -3.701 5.333 1.00 0.00 C ATOM 344 C ILE A 27 -2.509 -4.892 4.745 1.00 0.00 C ATOM 345 O ILE A 27 -2.107 -6.040 4.942 1.00 0.00 O ATOM 346 CB ILE A 27 -2.609 -3.103 6.495 1.00 0.00 C ATOM 347 CG1 ILE A 27 -1.861 -1.947 7.169 1.00 0.00 C ATOM 348 CG2 ILE A 27 -2.965 -4.178 7.518 1.00 0.00 C ATOM 349 CD1 ILE A 27 -2.697 -1.181 8.173 1.00 0.00 C ATOM 0 H ILE A 27 -1.844 -1.767 4.526 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.804 -4.028 5.725 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.535 -2.713 6.073 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.978 -2.342 7.671 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.509 -1.257 6.402 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -3.554 -3.735 8.321 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -3.545 -4.964 7.033 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.051 -4.604 7.931 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -2.100 -0.379 8.608 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -3.567 -0.755 7.673 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -3.027 -1.856 8.962 1.00 0.00 H new ATOM 361 N SER A 28 -3.571 -4.612 3.998 1.00 0.00 N ATOM 362 CA SER A 28 -4.370 -5.662 3.391 1.00 0.00 C ATOM 363 C SER A 28 -3.519 -6.533 2.464 1.00 0.00 C ATOM 364 O SER A 28 -3.505 -7.757 2.596 1.00 0.00 O ATOM 365 CB SER A 28 -5.563 -5.064 2.636 1.00 0.00 C ATOM 366 OG SER A 28 -5.146 -4.047 1.741 1.00 0.00 O ATOM 0 H SER A 28 -3.896 -3.666 3.800 1.00 0.00 H new ATOM 0 HA SER A 28 -4.754 -6.299 4.188 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.078 -5.850 2.083 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.279 -4.654 3.348 1.00 0.00 H new ATOM 0 HG SER A 28 -5.301 -3.169 2.148 1.00 0.00 H new ATOM 372 N SER A 29 -2.779 -5.890 1.562 1.00 0.00 N ATOM 373 CA SER A 29 -1.940 -6.604 0.610 1.00 0.00 C ATOM 374 C SER A 29 -0.882 -7.443 1.325 1.00 0.00 C ATOM 375 O SER A 29 -0.528 -8.534 0.866 1.00 0.00 O ATOM 376 CB SER A 29 -1.278 -5.625 -0.359 1.00 0.00 C ATOM 377 OG SER A 29 -2.255 -4.863 -1.054 1.00 0.00 O ATOM 0 H SER A 29 -2.746 -4.874 1.473 1.00 0.00 H new ATOM 0 HA SER A 29 -2.579 -7.281 0.043 1.00 0.00 H new ATOM 0 HB2 SER A 29 -0.613 -4.958 0.189 1.00 0.00 H new ATOM 0 HB3 SER A 29 -0.663 -6.173 -1.073 1.00 0.00 H new ATOM 0 HG SER A 29 -2.308 -3.965 -0.664 1.00 0.00 H new ATOM 383 N CYS A 30 -0.383 -6.937 2.446 1.00 0.00 N ATOM 384 CA CYS A 30 0.603 -7.647 3.219 1.00 0.00 C ATOM 385 C CYS A 30 0.005 -8.901 3.832 1.00 0.00 C ATOM 386 O CYS A 30 0.564 -9.987 3.712 1.00 0.00 O ATOM 387 CB CYS A 30 1.178 -6.733 4.285 1.00 0.00 C ATOM 388 SG CYS A 30 2.211 -5.407 3.603 1.00 0.00 S ATOM 0 H CYS A 30 -0.653 -6.033 2.833 1.00 0.00 H new ATOM 0 HA CYS A 30 1.413 -7.959 2.560 1.00 0.00 H new ATOM 0 HB2 CYS A 30 0.361 -6.292 4.856 1.00 0.00 H new ATOM 0 HB3 CYS A 30 1.771 -7.325 4.982 1.00 0.00 H new ATOM 393 N LYS A 31 -1.137 -8.746 4.474 1.00 0.00 N ATOM 394 CA LYS A 31 -1.841 -9.866 5.086 1.00 0.00 C ATOM 395 C LYS A 31 -2.127 -10.965 4.055 1.00 0.00 C ATOM 396 O LYS A 31 -1.978 -12.155 4.346 1.00 0.00 O ATOM 397 CB LYS A 31 -3.134 -9.362 5.719 1.00 0.00 C ATOM 398 CG LYS A 31 -2.898 -8.341 6.828 1.00 0.00 C ATOM 399 CD LYS A 31 -4.097 -7.422 7.026 1.00 0.00 C ATOM 400 CE LYS A 31 -5.371 -8.178 7.358 1.00 0.00 C ATOM 401 NZ LYS A 31 -5.285 -8.882 8.660 1.00 0.00 N ATOM 0 H LYS A 31 -1.604 -7.847 4.588 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.211 -10.303 5.860 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.759 -8.913 4.947 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -3.687 -10.209 6.125 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.684 -8.863 7.761 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.019 -7.743 6.588 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.879 -6.717 7.828 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.253 -6.836 6.120 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.209 -7.481 7.379 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.577 -8.901 6.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.195 -9.341 8.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.536 -9.602 8.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -5.064 -8.197 9.411 1.00 0.00 H new ATOM 415 N PHE A 32 -2.520 -10.561 2.853 1.00 0.00 N ATOM 416 CA PHE A 32 -2.777 -11.498 1.770 1.00 0.00 C ATOM 417 C PHE A 32 -1.533 -12.323 1.400 1.00 0.00 C ATOM 418 O PHE A 32 -1.644 -13.498 1.060 1.00 0.00 O ATOM 419 CB PHE A 32 -3.299 -10.757 0.543 1.00 0.00 C ATOM 420 CG PHE A 32 -4.780 -10.493 0.578 1.00 0.00 C ATOM 421 CD1 PHE A 32 -5.683 -11.525 0.396 1.00 0.00 C ATOM 422 CD2 PHE A 32 -5.269 -9.218 0.797 1.00 0.00 C ATOM 423 CE1 PHE A 32 -7.042 -11.291 0.432 1.00 0.00 C ATOM 424 CE2 PHE A 32 -6.628 -8.977 0.836 1.00 0.00 C ATOM 425 CZ PHE A 32 -7.516 -10.014 0.653 1.00 0.00 C ATOM 0 H PHE A 32 -2.668 -9.583 2.604 1.00 0.00 H new ATOM 0 HA PHE A 32 -3.535 -12.197 2.124 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.772 -9.807 0.452 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -3.064 -11.338 -0.348 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -5.319 -12.527 0.223 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -4.579 -8.400 0.939 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -7.735 -12.107 0.287 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.995 -7.976 1.010 1.00 0.00 H new ATOM 0 HZ PHE A 32 -8.580 -9.828 0.682 1.00 0.00 H new ATOM 435 N GLN A 33 -0.357 -11.713 1.491 1.00 0.00 N ATOM 436 CA GLN A 33 0.887 -12.397 1.126 1.00 0.00 C ATOM 437 C GLN A 33 1.580 -13.005 2.349 1.00 0.00 C ATOM 438 O GLN A 33 2.803 -13.219 2.345 1.00 0.00 O ATOM 439 CB GLN A 33 1.831 -11.446 0.385 1.00 0.00 C ATOM 440 CG GLN A 33 2.257 -10.245 1.199 1.00 0.00 C ATOM 441 CD GLN A 33 3.132 -9.297 0.418 1.00 0.00 C ATOM 442 OE1 GLN A 33 4.357 -9.428 0.405 1.00 0.00 O ATOM 443 NE2 GLN A 33 2.511 -8.338 -0.235 1.00 0.00 N ATOM 0 H GLN A 33 -0.234 -10.753 1.812 1.00 0.00 H new ATOM 0 HA GLN A 33 0.625 -13.217 0.457 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.719 -11.998 0.079 1.00 0.00 H new ATOM 0 HB3 GLN A 33 1.341 -11.100 -0.525 1.00 0.00 H new ATOM 0 HG2 GLN A 33 1.371 -9.713 1.547 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.794 -10.583 2.085 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.494 -8.269 -0.195 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.047 -7.663 -0.781 1.00 0.00 H new ATOM 452 N ASN A 34 0.785 -13.277 3.388 1.00 0.00 N ATOM 453 CA ASN A 34 1.255 -13.943 4.617 1.00 0.00 C ATOM 454 C ASN A 34 2.173 -13.037 5.446 1.00 0.00 C ATOM 455 O ASN A 34 3.097 -13.500 6.118 1.00 0.00 O ATOM 456 CB ASN A 34 1.960 -15.269 4.281 1.00 0.00 C ATOM 457 CG ASN A 34 2.101 -16.184 5.489 1.00 0.00 C ATOM 458 OD1 ASN A 34 1.278 -16.155 6.404 1.00 0.00 O ATOM 459 ND2 ASN A 34 3.134 -17.007 5.493 1.00 0.00 N ATOM 0 H ASN A 34 -0.208 -13.042 3.405 1.00 0.00 H new ATOM 0 HA ASN A 34 0.376 -14.158 5.225 1.00 0.00 H new ATOM 0 HB2 ASN A 34 1.399 -15.786 3.502 1.00 0.00 H new ATOM 0 HB3 ASN A 34 2.949 -15.057 3.874 1.00 0.00 H new ATOM 0 HD21 ASN A 34 3.272 -17.649 6.274 1.00 0.00 H new ATOM 0 HD22 ASN A 34 3.794 -17.001 4.715 1.00 0.00 H new ATOM 466 N CYS A 35 1.914 -11.752 5.402 1.00 0.00 N ATOM 467 CA CYS A 35 2.661 -10.818 6.205 1.00 0.00 C ATOM 468 C CYS A 35 1.807 -10.310 7.351 1.00 0.00 C ATOM 469 O CYS A 35 0.627 -10.004 7.171 1.00 0.00 O ATOM 470 CB CYS A 35 3.201 -9.670 5.361 1.00 0.00 C ATOM 471 SG CYS A 35 4.523 -10.162 4.198 1.00 0.00 S ATOM 0 H CYS A 35 1.191 -11.331 4.818 1.00 0.00 H new ATOM 0 HA CYS A 35 3.521 -11.338 6.626 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.379 -9.230 4.796 1.00 0.00 H new ATOM 0 HB3 CYS A 35 3.584 -8.894 6.024 1.00 0.00 H new ATOM 476 N GLY A 36 2.411 -10.231 8.532 1.00 0.00 N ATOM 477 CA GLY A 36 1.692 -9.828 9.728 1.00 0.00 C ATOM 478 C GLY A 36 1.095 -8.449 9.617 1.00 0.00 C ATOM 479 O GLY A 36 -0.037 -8.214 10.058 1.00 0.00 O ATOM 0 H GLY A 36 3.398 -10.442 8.683 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.898 -10.547 9.928 1.00 0.00 H new ATOM 0 HA3 GLY A 36 2.370 -9.857 10.581 1.00 0.00 H new ATOM 483 N THR A 37 1.841 -7.536 9.030 1.00 0.00 N ATOM 484 CA THR A 37 1.367 -6.191 8.868 1.00 0.00 C ATOM 485 C THR A 37 2.082 -5.491 7.714 1.00 0.00 C ATOM 486 O THR A 37 3.013 -6.044 7.110 1.00 0.00 O ATOM 487 CB THR A 37 1.537 -5.379 10.184 1.00 0.00 C ATOM 488 OG1 THR A 37 0.892 -4.101 10.070 1.00 0.00 O ATOM 489 CG2 THR A 37 3.012 -5.180 10.519 1.00 0.00 C ATOM 0 H THR A 37 2.776 -7.707 8.660 1.00 0.00 H new ATOM 0 HA THR A 37 0.304 -6.242 8.630 1.00 0.00 H new ATOM 0 HB THR A 37 1.071 -5.947 10.989 1.00 0.00 H new ATOM 0 HG1 THR A 37 1.005 -3.602 10.906 1.00 0.00 H new ATOM 0 HG21 THR A 37 3.101 -4.609 11.443 1.00 0.00 H new ATOM 0 HG22 THR A 37 3.491 -6.151 10.644 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.499 -4.637 9.709 1.00 0.00 H new ATOM 497 N GLY A 38 1.645 -4.288 7.431 1.00 0.00 N ATOM 498 CA GLY A 38 2.211 -3.515 6.362 1.00 0.00 C ATOM 499 C GLY A 38 2.190 -2.040 6.665 1.00 0.00 C ATOM 500 O GLY A 38 1.329 -1.568 7.411 1.00 0.00 O ATOM 0 H GLY A 38 0.890 -3.822 7.935 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.238 -3.835 6.186 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.656 -3.705 5.443 1.00 0.00 H new ATOM 504 N HIS A 39 3.144 -1.315 6.123 1.00 0.00 N ATOM 505 CA HIS A 39 3.196 0.121 6.299 1.00 0.00 C ATOM 506 C HIS A 39 3.837 0.757 5.090 1.00 0.00 C ATOM 507 O HIS A 39 4.653 0.136 4.408 1.00 0.00 O ATOM 508 CB HIS A 39 3.940 0.524 7.599 1.00 0.00 C ATOM 509 CG HIS A 39 5.438 0.371 7.565 1.00 0.00 C ATOM 510 ND1 HIS A 39 6.101 -0.696 8.123 1.00 0.00 N ATOM 511 CD2 HIS A 39 6.403 1.186 7.067 1.00 0.00 C ATOM 512 CE1 HIS A 39 7.398 -0.534 7.974 1.00 0.00 C ATOM 513 NE2 HIS A 39 7.607 0.600 7.336 1.00 0.00 N ATOM 0 H HIS A 39 3.898 -1.698 5.554 1.00 0.00 H new ATOM 0 HA HIS A 39 2.174 0.487 6.399 1.00 0.00 H new ATOM 0 HB2 HIS A 39 3.704 1.564 7.824 1.00 0.00 H new ATOM 0 HB3 HIS A 39 3.550 -0.076 8.421 1.00 0.00 H new ATOM 0 HD2 HIS A 39 6.247 2.123 6.554 1.00 0.00 H new ATOM 0 HE1 HIS A 39 8.163 -1.215 8.317 1.00 0.00 H new ATOM 0 HE2 HIS A 39 8.520 0.979 7.084 1.00 0.00 H new ATOM 522 N CYS A 40 3.486 1.978 4.828 1.00 0.00 N ATOM 523 CA CYS A 40 4.017 2.667 3.689 1.00 0.00 C ATOM 524 C CYS A 40 5.341 3.303 4.018 1.00 0.00 C ATOM 525 O CYS A 40 5.445 4.131 4.928 1.00 0.00 O ATOM 526 CB CYS A 40 3.034 3.697 3.207 1.00 0.00 C ATOM 527 SG CYS A 40 1.423 2.989 2.780 1.00 0.00 S ATOM 0 H CYS A 40 2.831 2.522 5.390 1.00 0.00 H new ATOM 0 HA CYS A 40 4.184 1.944 2.890 1.00 0.00 H new ATOM 0 HB2 CYS A 40 2.899 4.453 3.980 1.00 0.00 H new ATOM 0 HB3 CYS A 40 3.445 4.204 2.334 1.00 0.00 H new ATOM 532 N GLU A 41 6.347 2.916 3.285 1.00 0.00 N ATOM 533 CA GLU A 41 7.670 3.414 3.500 1.00 0.00 C ATOM 534 C GLU A 41 8.188 4.017 2.210 1.00 0.00 C ATOM 535 O GLU A 41 7.994 3.454 1.134 1.00 0.00 O ATOM 536 CB GLU A 41 8.585 2.274 3.941 1.00 0.00 C ATOM 537 CG GLU A 41 9.851 2.716 4.641 1.00 0.00 C ATOM 538 CD GLU A 41 9.589 3.221 6.038 1.00 0.00 C ATOM 539 OE1 GLU A 41 9.525 2.389 6.972 1.00 0.00 O ATOM 540 OE2 GLU A 41 9.440 4.443 6.216 1.00 0.00 O ATOM 0 H GLU A 41 6.269 2.245 2.521 1.00 0.00 H new ATOM 0 HA GLU A 41 7.653 4.176 4.279 1.00 0.00 H new ATOM 0 HB2 GLU A 41 8.028 1.616 4.608 1.00 0.00 H new ATOM 0 HB3 GLU A 41 8.857 1.685 3.065 1.00 0.00 H new ATOM 0 HG2 GLU A 41 10.550 1.880 4.685 1.00 0.00 H new ATOM 0 HG3 GLU A 41 10.330 3.502 4.057 1.00 0.00 H new ATOM 547 N ARG A 42 8.819 5.152 2.303 1.00 0.00 N ATOM 548 CA ARG A 42 9.372 5.779 1.133 1.00 0.00 C ATOM 549 C ARG A 42 10.762 5.269 0.886 1.00 0.00 C ATOM 550 O ARG A 42 11.673 5.495 1.680 1.00 0.00 O ATOM 551 CB ARG A 42 9.380 7.286 1.269 1.00 0.00 C ATOM 552 CG ARG A 42 8.361 7.979 0.394 1.00 0.00 C ATOM 553 CD ARG A 42 8.566 9.478 0.398 1.00 0.00 C ATOM 554 NE ARG A 42 9.926 9.851 0.012 1.00 0.00 N ATOM 555 CZ ARG A 42 10.301 11.104 -0.268 1.00 0.00 C ATOM 556 NH1 ARG A 42 9.407 12.091 -0.231 1.00 0.00 N ATOM 557 NH2 ARG A 42 11.565 11.374 -0.570 1.00 0.00 N ATOM 0 H ARG A 42 8.964 5.663 3.174 1.00 0.00 H new ATOM 0 HA ARG A 42 8.742 5.525 0.281 1.00 0.00 H new ATOM 0 HB2 ARG A 42 9.192 7.549 2.310 1.00 0.00 H new ATOM 0 HB3 ARG A 42 10.373 7.659 1.021 1.00 0.00 H new ATOM 0 HG2 ARG A 42 8.437 7.602 -0.626 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.356 7.746 0.746 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.856 9.942 -0.287 1.00 0.00 H new ATOM 0 HD3 ARG A 42 8.352 9.869 1.393 1.00 0.00 H new ATOM 0 HE ARG A 42 10.629 9.114 -0.047 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.436 11.891 0.011 1.00 0.00 H new ATOM 0 HH12 ARG A 42 9.693 13.046 -0.445 1.00 0.00 H new ATOM 0 HH21 ARG A 42 12.256 10.624 -0.589 1.00 0.00 H new ATOM 0 HH22 ARG A 42 11.845 12.331 -0.783 1.00 0.00 H new ATOM 571 N ARG A 43 10.918 4.553 -0.193 1.00 0.00 N ATOM 572 CA ARG A 43 12.187 3.973 -0.551 1.00 0.00 C ATOM 573 C ARG A 43 12.725 4.671 -1.789 1.00 0.00 C ATOM 574 O ARG A 43 12.091 4.633 -2.846 1.00 0.00 O ATOM 575 CB ARG A 43 12.001 2.478 -0.844 1.00 0.00 C ATOM 576 CG ARG A 43 11.269 1.702 0.257 1.00 0.00 C ATOM 577 CD ARG A 43 12.208 1.245 1.368 1.00 0.00 C ATOM 578 NE ARG A 43 12.871 2.355 2.057 1.00 0.00 N ATOM 579 CZ ARG A 43 14.193 2.435 2.246 1.00 0.00 C ATOM 580 NH1 ARG A 43 15.001 1.513 1.726 1.00 0.00 N ATOM 581 NH2 ARG A 43 14.706 3.444 2.938 1.00 0.00 N ATOM 0 H ARG A 43 10.166 4.353 -0.853 1.00 0.00 H new ATOM 0 HA ARG A 43 12.891 4.095 0.272 1.00 0.00 H new ATOM 0 HB2 ARG A 43 11.448 2.369 -1.777 1.00 0.00 H new ATOM 0 HB3 ARG A 43 12.981 2.026 -1.000 1.00 0.00 H new ATOM 0 HG2 ARG A 43 10.486 2.331 0.682 1.00 0.00 H new ATOM 0 HG3 ARG A 43 10.777 0.833 -0.180 1.00 0.00 H new ATOM 0 HD2 ARG A 43 11.643 0.660 2.094 1.00 0.00 H new ATOM 0 HD3 ARG A 43 12.965 0.584 0.946 1.00 0.00 H new ATOM 0 HE ARG A 43 12.289 3.113 2.414 1.00 0.00 H new ATOM 0 HH11 ARG A 43 14.612 0.743 1.182 1.00 0.00 H new ATOM 0 HH12 ARG A 43 16.008 1.577 1.872 1.00 0.00 H new ATOM 0 HH21 ARG A 43 14.092 4.160 3.327 1.00 0.00 H new ATOM 0 HH22 ARG A 43 15.714 3.504 3.081 1.00 0.00 H new ATOM 595 N GLY A 44 13.856 5.343 -1.643 1.00 0.00 N ATOM 596 CA GLY A 44 14.477 6.012 -2.772 1.00 0.00 C ATOM 597 C GLY A 44 13.589 7.076 -3.375 1.00 0.00 C ATOM 598 O GLY A 44 13.385 7.106 -4.588 1.00 0.00 O ATOM 0 H GLY A 44 14.358 5.439 -0.761 1.00 0.00 H new ATOM 0 HA2 GLY A 44 15.415 6.465 -2.451 1.00 0.00 H new ATOM 0 HA3 GLY A 44 14.725 5.275 -3.536 1.00 0.00 H new ATOM 602 N GLY A 45 13.063 7.961 -2.529 1.00 0.00 N ATOM 603 CA GLY A 45 12.166 9.005 -2.994 1.00 0.00 C ATOM 604 C GLY A 45 10.904 8.469 -3.642 1.00 0.00 C ATOM 605 O GLY A 45 10.238 9.181 -4.391 1.00 0.00 O ATOM 0 H GLY A 45 13.244 7.972 -1.525 1.00 0.00 H new ATOM 0 HA2 GLY A 45 11.892 9.640 -2.152 1.00 0.00 H new ATOM 0 HA3 GLY A 45 12.694 9.635 -3.710 1.00 0.00 H new ATOM 609 N ARG A 46 10.559 7.226 -3.347 1.00 0.00 N ATOM 610 CA ARG A 46 9.374 6.621 -3.925 1.00 0.00 C ATOM 611 C ARG A 46 8.560 5.914 -2.858 1.00 0.00 C ATOM 612 O ARG A 46 9.053 5.009 -2.185 1.00 0.00 O ATOM 613 CB ARG A 46 9.752 5.630 -5.031 1.00 0.00 C ATOM 614 CG ARG A 46 10.469 6.251 -6.224 1.00 0.00 C ATOM 615 CD ARG A 46 9.601 7.283 -6.931 1.00 0.00 C ATOM 616 NE ARG A 46 10.316 7.923 -8.033 1.00 0.00 N ATOM 617 CZ ARG A 46 9.919 9.040 -8.648 1.00 0.00 C ATOM 618 NH1 ARG A 46 8.795 9.650 -8.280 1.00 0.00 N ATOM 619 NH2 ARG A 46 10.651 9.549 -9.629 1.00 0.00 N ATOM 0 H ARG A 46 11.081 6.620 -2.714 1.00 0.00 H new ATOM 0 HA ARG A 46 8.771 7.418 -4.360 1.00 0.00 H new ATOM 0 HB2 ARG A 46 10.389 4.856 -4.604 1.00 0.00 H new ATOM 0 HB3 ARG A 46 8.846 5.138 -5.385 1.00 0.00 H new ATOM 0 HG2 ARG A 46 11.393 6.722 -5.888 1.00 0.00 H new ATOM 0 HG3 ARG A 46 10.749 5.467 -6.928 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.700 6.802 -7.312 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.280 8.041 -6.216 1.00 0.00 H new ATOM 0 HE ARG A 46 11.179 7.486 -8.355 1.00 0.00 H new ATOM 0 HH11 ARG A 46 8.230 9.265 -7.523 1.00 0.00 H new ATOM 0 HH12 ARG A 46 8.499 10.503 -8.755 1.00 0.00 H new ATOM 0 HH21 ARG A 46 11.515 9.088 -9.913 1.00 0.00 H new ATOM 0 HH22 ARG A 46 10.350 10.402 -10.100 1.00 0.00 H new ATOM 633 N PRO A 47 7.306 6.332 -2.676 1.00 0.00 N ATOM 634 CA PRO A 47 6.409 5.729 -1.694 1.00 0.00 C ATOM 635 C PRO A 47 6.076 4.286 -2.050 1.00 0.00 C ATOM 636 O PRO A 47 5.478 4.013 -3.078 1.00 0.00 O ATOM 637 CB PRO A 47 5.160 6.606 -1.760 1.00 0.00 C ATOM 638 CG PRO A 47 5.211 7.259 -3.095 1.00 0.00 C ATOM 639 CD PRO A 47 6.661 7.429 -3.418 1.00 0.00 C ATOM 0 HA PRO A 47 6.851 5.687 -0.699 1.00 0.00 H new ATOM 0 HB2 PRO A 47 4.254 6.010 -1.648 1.00 0.00 H new ATOM 0 HB3 PRO A 47 5.156 7.346 -0.960 1.00 0.00 H new ATOM 0 HG2 PRO A 47 4.713 6.647 -3.847 1.00 0.00 H new ATOM 0 HG3 PRO A 47 4.700 8.222 -3.078 1.00 0.00 H new ATOM 0 HD2 PRO A 47 6.846 7.353 -4.490 1.00 0.00 H new ATOM 0 HD3 PRO A 47 7.032 8.403 -3.099 1.00 0.00 H new ATOM 647 N THR A 48 6.474 3.373 -1.199 1.00 0.00 N ATOM 648 CA THR A 48 6.269 1.966 -1.457 1.00 0.00 C ATOM 649 C THR A 48 5.601 1.289 -0.260 1.00 0.00 C ATOM 650 O THR A 48 5.683 1.780 0.867 1.00 0.00 O ATOM 651 CB THR A 48 7.626 1.282 -1.743 1.00 0.00 C ATOM 652 OG1 THR A 48 8.435 2.152 -2.551 1.00 0.00 O ATOM 653 CG2 THR A 48 7.429 -0.039 -2.478 1.00 0.00 C ATOM 0 H THR A 48 6.944 3.579 -0.317 1.00 0.00 H new ATOM 0 HA THR A 48 5.618 1.867 -2.325 1.00 0.00 H new ATOM 0 HB THR A 48 8.117 1.081 -0.791 1.00 0.00 H new ATOM 0 HG1 THR A 48 9.297 1.722 -2.733 1.00 0.00 H new ATOM 0 HG21 THR A 48 8.399 -0.499 -2.666 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.823 -0.708 -1.867 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.924 0.144 -3.426 1.00 0.00 H new ATOM 661 N CYS A 49 4.919 0.197 -0.511 1.00 0.00 N ATOM 662 CA CYS A 49 4.300 -0.572 0.547 1.00 0.00 C ATOM 663 C CYS A 49 5.256 -1.651 1.007 1.00 0.00 C ATOM 664 O CYS A 49 5.633 -2.528 0.226 1.00 0.00 O ATOM 665 CB CYS A 49 2.999 -1.213 0.056 1.00 0.00 C ATOM 666 SG CYS A 49 2.324 -2.482 1.176 1.00 0.00 S ATOM 0 H CYS A 49 4.777 -0.183 -1.447 1.00 0.00 H new ATOM 0 HA CYS A 49 4.067 0.095 1.377 1.00 0.00 H new ATOM 0 HB2 CYS A 49 2.252 -0.432 -0.082 1.00 0.00 H new ATOM 0 HB3 CYS A 49 3.175 -1.663 -0.921 1.00 0.00 H new ATOM 671 N VAL A 50 5.673 -1.575 2.255 1.00 0.00 N ATOM 672 CA VAL A 50 6.587 -2.551 2.791 1.00 0.00 C ATOM 673 C VAL A 50 5.929 -3.335 3.920 1.00 0.00 C ATOM 674 O VAL A 50 5.352 -2.761 4.856 1.00 0.00 O ATOM 675 CB VAL A 50 7.925 -1.913 3.266 1.00 0.00 C ATOM 676 CG1 VAL A 50 8.572 -1.120 2.137 1.00 0.00 C ATOM 677 CG2 VAL A 50 7.717 -1.030 4.477 1.00 0.00 C ATOM 0 H VAL A 50 5.392 -0.847 2.912 1.00 0.00 H new ATOM 0 HA VAL A 50 6.835 -3.238 1.982 1.00 0.00 H new ATOM 0 HB VAL A 50 8.594 -2.724 3.553 1.00 0.00 H new ATOM 0 HG11 VAL A 50 9.506 -0.682 2.489 1.00 0.00 H new ATOM 0 HG12 VAL A 50 8.776 -1.784 1.297 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.897 -0.326 1.817 1.00 0.00 H new ATOM 0 HG21 VAL A 50 8.671 -0.601 4.782 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.022 -0.229 4.228 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.308 -1.624 5.294 1.00 0.00 H new ATOM 687 N CYS A 51 5.993 -4.635 3.820 1.00 0.00 N ATOM 688 CA CYS A 51 5.376 -5.494 4.798 1.00 0.00 C ATOM 689 C CYS A 51 6.350 -5.854 5.896 1.00 0.00 C ATOM 690 O CYS A 51 7.565 -5.885 5.684 1.00 0.00 O ATOM 691 CB CYS A 51 4.847 -6.750 4.130 1.00 0.00 C ATOM 692 SG CYS A 51 3.738 -6.413 2.732 1.00 0.00 S ATOM 0 H CYS A 51 6.470 -5.127 3.065 1.00 0.00 H new ATOM 0 HA CYS A 51 4.543 -4.954 5.249 1.00 0.00 H new ATOM 0 HB2 CYS A 51 5.688 -7.348 3.780 1.00 0.00 H new ATOM 0 HB3 CYS A 51 4.315 -7.349 4.869 1.00 0.00 H new ATOM 697 N SER A 52 5.822 -6.107 7.067 1.00 0.00 N ATOM 698 CA SER A 52 6.628 -6.478 8.199 1.00 0.00 C ATOM 699 C SER A 52 6.057 -7.724 8.855 1.00 0.00 C ATOM 700 O SER A 52 4.851 -7.999 8.739 1.00 0.00 O ATOM 701 CB SER A 52 6.690 -5.323 9.196 1.00 0.00 C ATOM 702 OG SER A 52 7.154 -4.135 8.563 1.00 0.00 O ATOM 0 H SER A 52 4.822 -6.061 7.261 1.00 0.00 H new ATOM 0 HA SER A 52 7.641 -6.698 7.862 1.00 0.00 H new ATOM 0 HB2 SER A 52 5.702 -5.151 9.623 1.00 0.00 H new ATOM 0 HB3 SER A 52 7.353 -5.584 10.021 1.00 0.00 H new ATOM 0 HG SER A 52 7.185 -3.406 9.218 1.00 0.00 H new ATOM 708 N ARG A 53 6.924 -8.477 9.527 1.00 0.00 N ATOM 709 CA ARG A 53 6.537 -9.717 10.200 1.00 0.00 C ATOM 710 C ARG A 53 5.936 -10.709 9.205 1.00 0.00 C ATOM 711 O ARG A 53 4.825 -11.199 9.386 1.00 0.00 O ATOM 712 CB ARG A 53 5.543 -9.433 11.340 1.00 0.00 C ATOM 713 CG ARG A 53 6.056 -8.468 12.410 1.00 0.00 C ATOM 714 CD ARG A 53 7.270 -9.022 13.157 1.00 0.00 C ATOM 715 NE ARG A 53 8.504 -8.939 12.366 1.00 0.00 N ATOM 716 CZ ARG A 53 9.501 -9.832 12.407 1.00 0.00 C ATOM 717 NH1 ARG A 53 9.419 -10.893 13.203 1.00 0.00 N ATOM 718 NH2 ARG A 53 10.578 -9.658 11.649 1.00 0.00 N ATOM 0 H ARG A 53 7.913 -8.247 9.621 1.00 0.00 H new ATOM 0 HA ARG A 53 7.435 -10.161 10.629 1.00 0.00 H new ATOM 0 HB2 ARG A 53 4.627 -9.026 10.912 1.00 0.00 H new ATOM 0 HB3 ARG A 53 5.280 -10.377 11.818 1.00 0.00 H new ATOM 0 HG2 ARG A 53 6.321 -7.519 11.943 1.00 0.00 H new ATOM 0 HG3 ARG A 53 5.257 -8.261 13.122 1.00 0.00 H new ATOM 0 HD2 ARG A 53 7.402 -8.471 14.088 1.00 0.00 H new ATOM 0 HD3 ARG A 53 7.084 -10.062 13.425 1.00 0.00 H new ATOM 0 HE ARG A 53 8.610 -8.142 11.739 1.00 0.00 H new ATOM 0 HH11 ARG A 53 8.594 -11.030 13.787 1.00 0.00 H new ATOM 0 HH12 ARG A 53 10.181 -11.570 13.230 1.00 0.00 H new ATOM 0 HH21 ARG A 53 10.645 -8.845 11.037 1.00 0.00 H new ATOM 0 HH22 ARG A 53 11.338 -10.337 11.679 1.00 0.00 H new ATOM 732 N CYS A 54 6.680 -10.994 8.162 1.00 0.00 N ATOM 733 CA CYS A 54 6.221 -11.911 7.130 1.00 0.00 C ATOM 734 C CYS A 54 6.624 -13.344 7.468 1.00 0.00 C ATOM 735 O CYS A 54 6.941 -13.647 8.628 1.00 0.00 O ATOM 736 CB CYS A 54 6.776 -11.491 5.767 1.00 0.00 C ATOM 737 SG CYS A 54 6.245 -9.825 5.231 1.00 0.00 S ATOM 0 H CYS A 54 7.609 -10.606 8.000 1.00 0.00 H new ATOM 0 HA CYS A 54 5.133 -11.872 7.084 1.00 0.00 H new ATOM 0 HB2 CYS A 54 7.865 -11.520 5.805 1.00 0.00 H new ATOM 0 HB3 CYS A 54 6.464 -12.219 5.019 1.00 0.00 H new ATOM 742 N GLY A 55 6.572 -14.234 6.478 1.00 0.00 N ATOM 743 CA GLY A 55 6.979 -15.609 6.694 1.00 0.00 C ATOM 744 C GLY A 55 8.483 -15.739 6.873 1.00 0.00 C ATOM 745 O GLY A 55 9.184 -16.233 5.987 1.00 0.00 O ATOM 0 H GLY A 55 6.255 -14.025 5.531 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.474 -16.002 7.577 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.661 -16.218 5.848 1.00 0.00 H new ATOM 749 N ASN A 56 8.972 -15.281 8.010 1.00 0.00 N ATOM 750 CA ASN A 56 10.388 -15.338 8.324 1.00 0.00 C ATOM 751 C ASN A 56 10.707 -16.633 9.048 1.00 0.00 C ATOM 752 O ASN A 56 9.821 -17.251 9.647 1.00 0.00 O ATOM 753 CB ASN A 56 10.803 -14.139 9.195 1.00 0.00 C ATOM 754 CG ASN A 56 10.513 -12.791 8.547 1.00 0.00 C ATOM 755 OD1 ASN A 56 9.450 -12.206 8.753 1.00 0.00 O ATOM 756 ND2 ASN A 56 11.450 -12.298 7.760 1.00 0.00 N ATOM 0 H ASN A 56 8.400 -14.859 8.742 1.00 0.00 H new ATOM 0 HA ASN A 56 10.948 -15.298 7.390 1.00 0.00 H new ATOM 0 HB2 ASN A 56 10.280 -14.195 10.150 1.00 0.00 H new ATOM 0 HB3 ASN A 56 11.869 -14.208 9.411 1.00 0.00 H new ATOM 0 HD21 ASN A 56 11.307 -11.401 7.297 1.00 0.00 H new ATOM 0 HD22 ASN A 56 12.318 -12.814 7.615 1.00 0.00 H new ATOM 763 N GLY A 57 11.960 -17.042 8.997 1.00 0.00 N ATOM 764 CA GLY A 57 12.358 -18.275 9.642 1.00 0.00 C ATOM 765 C GLY A 57 13.766 -18.215 10.187 1.00 0.00 C ATOM 766 O GLY A 57 14.375 -17.141 10.234 1.00 0.00 O ATOM 0 H GLY A 57 12.712 -16.544 8.521 1.00 0.00 H new ATOM 0 HA2 GLY A 57 11.666 -18.496 10.455 1.00 0.00 H new ATOM 0 HA3 GLY A 57 12.283 -19.095 8.928 1.00 0.00 H new ATOM 770 N GLY A 58 14.282 -19.362 10.607 1.00 0.00 N ATOM 771 CA GLY A 58 15.629 -19.432 11.134 1.00 0.00 C ATOM 772 C GLY A 58 16.667 -19.346 10.043 1.00 0.00 C ATOM 773 O GLY A 58 16.938 -20.331 9.356 1.00 0.00 O ATOM 0 H GLY A 58 13.786 -20.253 10.591 1.00 0.00 H new ATOM 0 HA2 GLY A 58 15.783 -18.621 11.846 1.00 0.00 H new ATOM 0 HA3 GLY A 58 15.756 -20.365 11.683 1.00 0.00 H new ATOM 777 N GLY A 59 17.227 -18.172 9.870 1.00 0.00 N ATOM 778 CA GLY A 59 18.220 -17.963 8.849 1.00 0.00 C ATOM 779 C GLY A 59 18.079 -16.597 8.239 1.00 0.00 C ATOM 780 O GLY A 59 17.219 -16.377 7.377 1.00 0.00 O ATOM 0 H GLY A 59 17.009 -17.346 10.427 1.00 0.00 H new ATOM 0 HA2 GLY A 59 19.217 -18.074 9.276 1.00 0.00 H new ATOM 0 HA3 GLY A 59 18.118 -18.724 8.075 1.00 0.00 H new ATOM 784 N GLU A 60 18.918 -15.676 8.669 1.00 0.00 N ATOM 785 CA GLU A 60 18.847 -14.303 8.208 1.00 0.00 C ATOM 786 C GLU A 60 20.236 -13.716 8.063 1.00 0.00 C ATOM 787 O GLU A 60 21.091 -13.895 8.931 1.00 0.00 O ATOM 788 CB GLU A 60 18.033 -13.455 9.195 1.00 0.00 C ATOM 789 CG GLU A 60 16.575 -13.856 9.301 1.00 0.00 C ATOM 790 CD GLU A 60 15.864 -13.177 10.441 1.00 0.00 C ATOM 791 OE1 GLU A 60 15.390 -12.040 10.263 1.00 0.00 O ATOM 792 OE2 GLU A 60 15.765 -13.782 11.529 1.00 0.00 O ATOM 0 H GLU A 60 19.663 -15.855 9.342 1.00 0.00 H new ATOM 0 HA GLU A 60 18.357 -14.295 7.234 1.00 0.00 H new ATOM 0 HB2 GLU A 60 18.491 -13.526 10.182 1.00 0.00 H new ATOM 0 HB3 GLU A 60 18.090 -12.410 8.892 1.00 0.00 H new ATOM 0 HG2 GLU A 60 16.068 -13.614 8.367 1.00 0.00 H new ATOM 0 HG3 GLU A 60 16.509 -14.936 9.429 1.00 0.00 H new ATOM 799 N TRP A 61 20.437 -13.009 6.964 1.00 0.00 N ATOM 800 CA TRP A 61 21.706 -12.380 6.629 1.00 0.00 C ATOM 801 C TRP A 61 21.442 -11.187 5.715 1.00 0.00 C ATOM 802 O TRP A 61 21.553 -11.298 4.494 1.00 0.00 O ATOM 803 CB TRP A 61 22.664 -13.364 5.922 1.00 0.00 C ATOM 804 CG TRP A 61 23.139 -14.499 6.774 1.00 0.00 C ATOM 805 CD1 TRP A 61 23.919 -14.410 7.885 1.00 0.00 C ATOM 806 CD2 TRP A 61 22.871 -15.890 6.579 1.00 0.00 C ATOM 807 NE1 TRP A 61 24.157 -15.662 8.397 1.00 0.00 N ATOM 808 CE2 TRP A 61 23.522 -16.589 7.614 1.00 0.00 C ATOM 809 CE3 TRP A 61 22.140 -16.614 5.634 1.00 0.00 C ATOM 810 CZ2 TRP A 61 23.466 -17.974 7.725 1.00 0.00 C ATOM 811 CZ3 TRP A 61 22.086 -17.987 5.747 1.00 0.00 C ATOM 812 CH2 TRP A 61 22.745 -18.654 6.784 1.00 0.00 C ATOM 0 H TRP A 61 19.710 -12.852 6.266 1.00 0.00 H new ATOM 0 HA TRP A 61 22.182 -12.058 7.555 1.00 0.00 H new ATOM 0 HB2 TRP A 61 22.161 -13.772 5.045 1.00 0.00 H new ATOM 0 HB3 TRP A 61 23.531 -12.810 5.563 1.00 0.00 H new ATOM 0 HD1 TRP A 61 24.296 -13.489 8.304 1.00 0.00 H new ATOM 0 HE1 TRP A 61 24.716 -15.868 9.225 1.00 0.00 H new ATOM 0 HE3 TRP A 61 21.627 -16.108 4.830 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 23.973 -18.493 8.525 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 21.525 -18.557 5.022 1.00 0.00 H new ATOM 0 HH2 TRP A 61 22.683 -19.731 6.843 1.00 0.00 H new ATOM 823 N PRO A 62 21.036 -10.047 6.284 1.00 0.00 N ATOM 824 CA PRO A 62 20.734 -8.842 5.511 1.00 0.00 C ATOM 825 C PRO A 62 21.996 -8.141 5.018 1.00 0.00 C ATOM 826 O PRO A 62 22.075 -7.712 3.865 1.00 0.00 O ATOM 827 CB PRO A 62 19.982 -7.940 6.514 1.00 0.00 C ATOM 828 CG PRO A 62 19.732 -8.800 7.718 1.00 0.00 C ATOM 829 CD PRO A 62 20.810 -9.840 7.716 1.00 0.00 C ATOM 0 HA PRO A 62 20.160 -9.073 4.614 1.00 0.00 H new ATOM 0 HB2 PRO A 62 20.575 -7.063 6.774 1.00 0.00 H new ATOM 0 HB3 PRO A 62 19.046 -7.577 6.090 1.00 0.00 H new ATOM 0 HG2 PRO A 62 19.763 -8.208 8.633 1.00 0.00 H new ATOM 0 HG3 PRO A 62 18.745 -9.261 7.670 1.00 0.00 H new ATOM 0 HD2 PRO A 62 21.710 -9.495 8.225 1.00 0.00 H new ATOM 0 HD3 PRO A 62 20.493 -10.756 8.215 1.00 0.00 H new ATOM 837 N ASN A 63 22.979 -8.039 5.893 1.00 0.00 N ATOM 838 CA ASN A 63 24.232 -7.362 5.581 1.00 0.00 C ATOM 839 C ASN A 63 25.252 -8.323 4.991 1.00 0.00 C ATOM 840 O ASN A 63 26.149 -7.907 4.263 1.00 0.00 O ATOM 841 CB ASN A 63 24.832 -6.736 6.838 1.00 0.00 C ATOM 842 CG ASN A 63 25.233 -7.784 7.867 1.00 0.00 C ATOM 843 OD1 ASN A 63 24.511 -8.758 8.106 1.00 0.00 O ATOM 844 ND2 ASN A 63 26.400 -7.623 8.438 1.00 0.00 N ATOM 0 H ASN A 63 22.936 -8.420 6.838 1.00 0.00 H new ATOM 0 HA ASN A 63 24.002 -6.588 4.849 1.00 0.00 H new ATOM 0 HB2 ASN A 63 25.706 -6.144 6.565 1.00 0.00 H new ATOM 0 HB3 ASN A 63 24.109 -6.052 7.282 1.00 0.00 H new ATOM 0 HD21 ASN A 63 26.741 -8.315 9.105 1.00 0.00 H new ATOM 0 HD22 ASN A 63 26.968 -6.806 8.215 1.00 0.00 H new ATOM 851 N LEU A 64 25.112 -9.607 5.336 1.00 0.00 N ATOM 852 CA LEU A 64 26.040 -10.662 4.904 1.00 0.00 C ATOM 853 C LEU A 64 27.370 -10.512 5.639 1.00 0.00 C ATOM 854 O LEU A 64 28.292 -9.860 5.151 1.00 0.00 O ATOM 855 CB LEU A 64 26.260 -10.636 3.385 1.00 0.00 C ATOM 856 CG LEU A 64 24.990 -10.562 2.551 1.00 0.00 C ATOM 857 CD1 LEU A 64 25.323 -10.301 1.091 1.00 0.00 C ATOM 858 CD2 LEU A 64 24.179 -11.841 2.689 1.00 0.00 C ATOM 0 H LEU A 64 24.351 -9.947 5.924 1.00 0.00 H new ATOM 0 HA LEU A 64 25.597 -11.626 5.152 1.00 0.00 H new ATOM 0 HB2 LEU A 64 26.888 -9.780 3.139 1.00 0.00 H new ATOM 0 HB3 LEU A 64 26.813 -11.530 3.098 1.00 0.00 H new ATOM 0 HG LEU A 64 24.388 -9.732 2.922 1.00 0.00 H new ATOM 0 HD11 LEU A 64 24.402 -10.252 0.511 1.00 0.00 H new ATOM 0 HD12 LEU A 64 25.858 -9.356 1.003 1.00 0.00 H new ATOM 0 HD13 LEU A 64 25.948 -11.109 0.710 1.00 0.00 H new ATOM 0 HD21 LEU A 64 23.275 -11.766 2.084 1.00 0.00 H new ATOM 0 HD22 LEU A 64 24.774 -12.688 2.348 1.00 0.00 H new ATOM 0 HD23 LEU A 64 23.905 -11.987 3.734 1.00 0.00 H new ATOM 870 N PRO A 65 27.474 -11.106 6.840 1.00 0.00 N ATOM 871 CA PRO A 65 28.672 -10.999 7.683 1.00 0.00 C ATOM 872 C PRO A 65 29.823 -11.879 7.208 1.00 0.00 C ATOM 873 O PRO A 65 30.877 -11.937 7.842 1.00 0.00 O ATOM 874 CB PRO A 65 28.177 -11.459 9.048 1.00 0.00 C ATOM 875 CG PRO A 65 27.083 -12.421 8.742 1.00 0.00 C ATOM 876 CD PRO A 65 26.425 -11.924 7.483 1.00 0.00 C ATOM 0 HA PRO A 65 29.081 -9.989 7.672 1.00 0.00 H new ATOM 0 HB2 PRO A 65 28.974 -11.933 9.620 1.00 0.00 H new ATOM 0 HB3 PRO A 65 27.814 -10.620 9.642 1.00 0.00 H new ATOM 0 HG2 PRO A 65 27.478 -13.428 8.603 1.00 0.00 H new ATOM 0 HG3 PRO A 65 26.367 -12.469 9.562 1.00 0.00 H new ATOM 0 HD2 PRO A 65 26.111 -12.748 6.843 1.00 0.00 H new ATOM 0 HD3 PRO A 65 25.535 -11.334 7.702 1.00 0.00 H new ATOM 884 N SER A 66 29.621 -12.556 6.100 1.00 0.00 N ATOM 885 CA SER A 66 30.642 -13.410 5.544 1.00 0.00 C ATOM 886 C SER A 66 31.650 -12.572 4.767 1.00 0.00 C ATOM 887 O SER A 66 31.374 -12.112 3.662 1.00 0.00 O ATOM 888 CB SER A 66 30.014 -14.470 4.631 1.00 0.00 C ATOM 889 OG SER A 66 30.977 -15.426 4.214 1.00 0.00 O ATOM 0 H SER A 66 28.753 -12.530 5.565 1.00 0.00 H new ATOM 0 HA SER A 66 31.157 -13.920 6.358 1.00 0.00 H new ATOM 0 HB2 SER A 66 29.203 -14.973 5.158 1.00 0.00 H new ATOM 0 HB3 SER A 66 29.575 -13.987 3.758 1.00 0.00 H new ATOM 0 HG SER A 66 30.549 -16.090 3.635 1.00 0.00 H new ATOM 895 N ARG A 67 32.805 -12.354 5.368 1.00 0.00 N ATOM 896 CA ARG A 67 33.858 -11.565 4.743 1.00 0.00 C ATOM 897 C ARG A 67 34.851 -12.486 4.038 1.00 0.00 C ATOM 898 O ARG A 67 35.840 -12.040 3.458 1.00 0.00 O ATOM 899 CB ARG A 67 34.569 -10.681 5.804 1.00 0.00 C ATOM 900 CG ARG A 67 35.773 -11.321 6.527 1.00 0.00 C ATOM 901 CD ARG A 67 35.462 -12.694 7.124 1.00 0.00 C ATOM 902 NE ARG A 67 34.354 -12.671 8.072 1.00 0.00 N ATOM 903 CZ ARG A 67 33.668 -13.756 8.438 1.00 0.00 C ATOM 904 NH1 ARG A 67 33.927 -14.936 7.870 1.00 0.00 N ATOM 905 NH2 ARG A 67 32.711 -13.658 9.350 1.00 0.00 N ATOM 0 H ARG A 67 33.041 -12.713 6.293 1.00 0.00 H new ATOM 0 HA ARG A 67 33.416 -10.905 3.997 1.00 0.00 H new ATOM 0 HB2 ARG A 67 34.908 -9.767 5.317 1.00 0.00 H new ATOM 0 HB3 ARG A 67 33.834 -10.389 6.554 1.00 0.00 H new ATOM 0 HG2 ARG A 67 36.600 -11.418 5.824 1.00 0.00 H new ATOM 0 HG3 ARG A 67 36.106 -10.654 7.322 1.00 0.00 H new ATOM 0 HD2 ARG A 67 35.227 -13.389 6.318 1.00 0.00 H new ATOM 0 HD3 ARG A 67 36.352 -13.075 7.625 1.00 0.00 H new ATOM 0 HE ARG A 67 34.088 -11.774 8.479 1.00 0.00 H new ATOM 0 HH11 ARG A 67 34.650 -15.010 7.155 1.00 0.00 H new ATOM 0 HH12 ARG A 67 33.402 -15.764 8.151 1.00 0.00 H new ATOM 0 HH21 ARG A 67 32.499 -12.754 9.772 1.00 0.00 H new ATOM 0 HH22 ARG A 67 32.187 -14.487 9.630 1.00 0.00 H new ATOM 919 N GLY A 68 34.567 -13.773 4.101 1.00 0.00 N ATOM 920 CA GLY A 68 35.451 -14.762 3.555 1.00 0.00 C ATOM 921 C GLY A 68 36.166 -15.492 4.663 1.00 0.00 C ATOM 922 O GLY A 68 35.593 -15.598 5.769 1.00 0.00 O ATOM 923 OXT GLY A 68 37.306 -15.939 4.454 1.00 0.00 O ATOM 0 H GLY A 68 33.722 -14.151 4.530 1.00 0.00 H new ATOM 0 HA2 GLY A 68 34.886 -15.470 2.949 1.00 0.00 H new ATOM 0 HA3 GLY A 68 36.177 -14.287 2.896 1.00 0.00 H new TER 927 GLY A 68