USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 614 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 37 THR OG1 : rot 180:sc= 0.749 USER MOD Set 1.2: A 40 THR OG1 : rot 75:sc= 2.05 USER MOD Set 1.3: A 41 ASN : amide:sc= -2! C(o=0.8!,f=-3.6!) USER MOD Set 2.1: A 23 GLN : amide:sc= -1.72 K(o=-8.5,f=-18!) USER MOD Set 2.2: A 31 HIS : no HD1:sc= -2.8 K(o=-8.5,f=-11) USER MOD Set 2.3: A 33 HIS : no HD1:sc= -3.95 K(o=-8.5,f=-15!) USER MOD Set 3.1: A 16 THR OG1 : rot 169:sc= 0.465 USER MOD Set 3.2: A 18 THR OG1 : rot -25:sc= 1.31 USER MOD Set 3.3: A 20 THR OG1 : rot 75:sc= 1.25 USER MOD Set 4.1: A 2 MET CE :methyl 152:sc= 0 (180deg=-0.684) USER MOD Set 4.2: A 79 GLN : amide:sc= -1.13 K(o=-1.1,f=-13!) USER MOD Single : A 5 ASN : amide:sc= -1.41 K(o=-1.4,f=-3.5!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot -111:sc= -1.41! USER MOD Single : A -3 ASN : amide:sc= -1.23 K(o=-1.2,f=-0.12) USER MOD Single : A -4 SER N :NH3+ -104:sc= 0.126 (180deg=0) USER MOD Single : A -4 SER OG : rot 180:sc= 0.0297 USER MOD Single : A 12 LYS NZ :NH3+ -168:sc= -0.0216 (180deg=-0.21) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -1.37 K(o=-1.4,f=-10!) USER MOD Single : A 34 SER OG : rot -50:sc= 0.225 USER MOD Single : A 48 LYS NZ :NH3+ -166:sc= -0.12 (180deg=-0.591) USER MOD Single : A 49 ASN : amide:sc= 1.08 K(o=1.1,f=-3.5!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0.148 K(o=0.15,f=-11!) USER MOD Single : A 64 TYR OH : rot 90:sc= -1.06 USER MOD Single : A 65 THR OG1 : rot -83:sc= -0.476 USER MOD Single : A 66 THR OG1 : rot -60:sc= -0.0656 USER MOD Single : A 67 ASN : amide:sc= -0.116 K(o=-0.12,f=-11!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot -149:sc= 1.2 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A -4 0.550 37.706 -1.676 1.00 0.00 N ATOM 2 CA SER A -4 1.368 36.481 -1.638 1.00 0.00 C ATOM 3 C SER A -4 0.467 35.253 -1.596 1.00 0.00 C ATOM 4 O SER A -4 -0.717 35.349 -1.273 1.00 0.00 O ATOM 5 CB SER A -4 2.271 36.514 -0.406 1.00 0.00 C ATOM 6 OG SER A -4 3.020 37.717 -0.361 1.00 0.00 O ATOM 0 H1 SER A -4 0.552 38.095 -2.640 1.00 0.00 H new ATOM 0 H2 SER A -4 -0.426 37.481 -1.396 1.00 0.00 H new ATOM 0 H3 SER A -4 0.945 38.408 -1.018 1.00 0.00 H new ATOM 0 HA SER A -4 1.985 36.429 -2.535 1.00 0.00 H new ATOM 0 HB2 SER A -4 1.666 36.423 0.496 1.00 0.00 H new ATOM 0 HB3 SER A -4 2.948 35.660 -0.423 1.00 0.00 H new ATOM 0 HG SER A -4 3.590 37.718 0.436 1.00 0.00 H new ATOM 14 N ASN A -3 1.037 34.101 -1.934 1.00 0.00 N ATOM 15 CA ASN A -3 0.309 32.839 -1.911 1.00 0.00 C ATOM 16 C ASN A -3 0.361 32.248 -0.509 1.00 0.00 C ATOM 17 O ASN A -3 -0.307 31.256 -0.209 1.00 0.00 O ATOM 18 CB ASN A -3 0.920 31.866 -2.931 1.00 0.00 C ATOM 19 CG ASN A -3 0.168 30.546 -3.038 1.00 0.00 C ATOM 20 OD1 ASN A -3 -0.785 30.422 -3.805 1.00 0.00 O ATOM 21 ND2 ASN A -3 0.605 29.547 -2.287 1.00 0.00 N ATOM 0 H ASN A -3 2.010 34.016 -2.229 1.00 0.00 H new ATOM 0 HA ASN A -3 -0.733 33.013 -2.181 1.00 0.00 H new ATOM 0 HB2 ASN A -3 0.940 32.344 -3.910 1.00 0.00 H new ATOM 0 HB3 ASN A -3 1.955 31.664 -2.654 1.00 0.00 H new ATOM 0 HD21 ASN A -3 0.148 28.636 -2.333 1.00 0.00 H new ATOM 0 HD22 ASN A -3 1.399 29.688 -1.662 1.00 0.00 H new ATOM 28 N ALA A -2 1.174 32.885 0.335 1.00 0.00 N ATOM 29 CA ALA A -2 1.357 32.485 1.721 1.00 0.00 C ATOM 30 C ALA A -2 2.116 31.171 1.806 1.00 0.00 C ATOM 31 O ALA A -2 2.010 30.432 2.785 1.00 0.00 O ATOM 32 CB ALA A -2 0.024 32.411 2.437 1.00 0.00 C ATOM 0 H ALA A -2 1.727 33.700 0.068 1.00 0.00 H new ATOM 0 HA ALA A -2 1.958 33.242 2.225 1.00 0.00 H new ATOM 0 HB1 ALA A -2 0.183 32.110 3.472 1.00 0.00 H new ATOM 0 HB2 ALA A -2 -0.457 33.389 2.413 1.00 0.00 H new ATOM 0 HB3 ALA A -2 -0.615 31.681 1.941 1.00 0.00 H new ATOM 38 N ASP A -1 2.910 30.910 0.774 1.00 0.00 N ATOM 39 CA ASP A -1 3.757 29.723 0.726 1.00 0.00 C ATOM 40 C ASP A -1 5.011 29.948 1.564 1.00 0.00 C ATOM 41 O ASP A -1 6.144 29.901 1.084 1.00 0.00 O ATOM 42 CB ASP A -1 4.117 29.367 -0.721 1.00 0.00 C ATOM 43 CG ASP A -1 5.005 28.141 -0.817 1.00 0.00 C ATOM 44 OD1 ASP A -1 4.589 27.059 -0.350 1.00 0.00 O ATOM 45 OD2 ASP A -1 6.121 28.258 -1.366 1.00 0.00 O ATOM 0 H ASP A -1 2.985 31.510 -0.048 1.00 0.00 H new ATOM 0 HA ASP A -1 3.206 28.880 1.144 1.00 0.00 H new ATOM 0 HB2 ASP A -1 3.202 29.193 -1.287 1.00 0.00 H new ATOM 0 HB3 ASP A -1 4.622 30.214 -1.185 1.00 0.00 H new ATOM 50 N CYS A 1 4.776 30.239 2.823 1.00 0.00 N ATOM 51 CA CYS A 1 5.828 30.445 3.786 1.00 0.00 C ATOM 52 C CYS A 1 5.268 30.272 5.192 1.00 0.00 C ATOM 53 O CYS A 1 4.063 30.406 5.411 1.00 0.00 O ATOM 54 CB CYS A 1 6.468 31.828 3.599 1.00 0.00 C ATOM 55 SG CYS A 1 5.405 33.076 2.789 1.00 0.00 S ATOM 0 H CYS A 1 3.837 30.340 3.209 1.00 0.00 H new ATOM 0 HA CYS A 1 6.612 29.703 3.633 1.00 0.00 H new ATOM 0 HB2 CYS A 1 6.766 32.208 4.576 1.00 0.00 H new ATOM 0 HB3 CYS A 1 7.378 31.713 3.011 1.00 0.00 H new ATOM 60 N MET A 2 6.135 29.962 6.140 1.00 0.00 N ATOM 61 CA MET A 2 5.696 29.708 7.518 1.00 0.00 C ATOM 62 C MET A 2 5.830 30.927 8.409 1.00 0.00 C ATOM 63 O MET A 2 6.716 31.745 8.232 1.00 0.00 O ATOM 64 CB MET A 2 6.496 28.570 8.151 1.00 0.00 C ATOM 65 CG MET A 2 8.000 28.792 8.092 1.00 0.00 C ATOM 66 SD MET A 2 8.897 27.785 9.279 1.00 0.00 S ATOM 67 CE MET A 2 10.589 28.218 8.888 1.00 0.00 C ATOM 0 H MET A 2 7.141 29.878 5.992 1.00 0.00 H new ATOM 0 HA MET A 2 4.642 29.439 7.445 1.00 0.00 H new ATOM 0 HB2 MET A 2 6.192 28.456 9.192 1.00 0.00 H new ATOM 0 HB3 MET A 2 6.252 27.637 7.643 1.00 0.00 H new ATOM 0 HG2 MET A 2 8.357 28.567 7.087 1.00 0.00 H new ATOM 0 HG3 MET A 2 8.215 29.844 8.278 1.00 0.00 H new ATOM 0 HE1 MET A 2 11.208 28.106 9.778 1.00 0.00 H new ATOM 0 HE2 MET A 2 10.960 27.561 8.102 1.00 0.00 H new ATOM 0 HE3 MET A 2 10.630 29.252 8.546 1.00 0.00 H new ATOM 77 N PHE A 3 4.949 31.018 9.391 1.00 0.00 N ATOM 78 CA PHE A 3 4.958 32.105 10.343 1.00 0.00 C ATOM 79 C PHE A 3 5.462 31.571 11.666 1.00 0.00 C ATOM 80 O PHE A 3 4.735 30.865 12.375 1.00 0.00 O ATOM 81 CB PHE A 3 3.548 32.682 10.510 1.00 0.00 C ATOM 82 CG PHE A 3 2.941 33.211 9.237 1.00 0.00 C ATOM 83 CD1 PHE A 3 2.266 32.365 8.370 1.00 0.00 C ATOM 84 CD2 PHE A 3 3.046 34.552 8.907 1.00 0.00 C ATOM 85 CE1 PHE A 3 1.702 32.849 7.205 1.00 0.00 C ATOM 86 CE2 PHE A 3 2.485 35.041 7.743 1.00 0.00 C ATOM 87 CZ PHE A 3 1.815 34.188 6.890 1.00 0.00 C ATOM 0 H PHE A 3 4.207 30.336 9.547 1.00 0.00 H new ATOM 0 HA PHE A 3 5.608 32.904 9.987 1.00 0.00 H new ATOM 0 HB2 PHE A 3 2.897 31.908 10.915 1.00 0.00 H new ATOM 0 HB3 PHE A 3 3.582 33.487 11.245 1.00 0.00 H new ATOM 0 HD1 PHE A 3 2.180 31.315 8.608 1.00 0.00 H new ATOM 0 HD2 PHE A 3 3.573 35.224 9.568 1.00 0.00 H new ATOM 0 HE1 PHE A 3 1.173 32.180 6.542 1.00 0.00 H new ATOM 0 HE2 PHE A 3 2.571 36.090 7.501 1.00 0.00 H new ATOM 0 HZ PHE A 3 1.380 34.568 5.977 1.00 0.00 H new ATOM 97 N GLY A 4 6.714 31.851 11.979 1.00 0.00 N ATOM 98 CA GLY A 4 7.294 31.306 13.161 1.00 0.00 C ATOM 99 C GLY A 4 7.668 29.866 12.948 1.00 0.00 C ATOM 100 O GLY A 4 8.519 29.557 12.112 1.00 0.00 O ATOM 0 H GLY A 4 7.331 32.448 11.428 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.178 31.880 13.438 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.590 31.386 13.989 1.00 0.00 H new ATOM 104 N ASN A 5 6.944 28.999 13.638 1.00 0.00 N ATOM 105 CA ASN A 5 7.200 27.569 13.621 1.00 0.00 C ATOM 106 C ASN A 5 6.640 26.943 12.359 1.00 0.00 C ATOM 107 O ASN A 5 7.114 25.915 11.895 1.00 0.00 O ATOM 108 CB ASN A 5 6.526 26.900 14.822 1.00 0.00 C ATOM 109 CG ASN A 5 7.049 27.384 16.160 1.00 0.00 C ATOM 110 OD1 ASN A 5 8.160 27.892 16.265 1.00 0.00 O ATOM 111 ND2 ASN A 5 6.249 27.208 17.201 1.00 0.00 N ATOM 0 H ASN A 5 6.158 29.270 14.229 1.00 0.00 H new ATOM 0 HA ASN A 5 8.279 27.422 13.661 1.00 0.00 H new ATOM 0 HB2 ASN A 5 5.452 27.083 14.774 1.00 0.00 H new ATOM 0 HB3 ASN A 5 6.669 25.822 14.754 1.00 0.00 H new ATOM 0 HD21 ASN A 5 6.551 27.499 18.131 1.00 0.00 H new ATOM 0 HD22 ASN A 5 5.331 26.781 17.073 1.00 0.00 H new ATOM 118 N GLY A 6 5.606 27.560 11.817 1.00 0.00 N ATOM 119 CA GLY A 6 4.926 26.979 10.684 1.00 0.00 C ATOM 120 C GLY A 6 3.545 26.533 11.079 1.00 0.00 C ATOM 121 O GLY A 6 2.904 25.735 10.399 1.00 0.00 O ATOM 0 H GLY A 6 5.226 28.450 12.140 1.00 0.00 H new ATOM 0 HA2 GLY A 6 4.863 27.708 9.876 1.00 0.00 H new ATOM 0 HA3 GLY A 6 5.495 26.130 10.305 1.00 0.00 H new ATOM 125 N LYS A 7 3.103 27.060 12.205 1.00 0.00 N ATOM 126 CA LYS A 7 1.792 26.766 12.738 1.00 0.00 C ATOM 127 C LYS A 7 0.721 27.309 11.798 1.00 0.00 C ATOM 128 O LYS A 7 -0.215 26.604 11.432 1.00 0.00 O ATOM 129 CB LYS A 7 1.673 27.400 14.119 1.00 0.00 C ATOM 130 CG LYS A 7 2.717 26.910 15.107 1.00 0.00 C ATOM 131 CD LYS A 7 2.504 27.518 16.481 1.00 0.00 C ATOM 132 CE LYS A 7 2.580 29.038 16.451 1.00 0.00 C ATOM 133 NZ LYS A 7 2.087 29.643 17.717 1.00 0.00 N ATOM 0 H LYS A 7 3.648 27.706 12.776 1.00 0.00 H new ATOM 0 HA LYS A 7 1.652 25.689 12.825 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.758 28.482 14.021 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.681 27.193 14.520 1.00 0.00 H new ATOM 0 HG2 LYS A 7 2.673 25.823 15.177 1.00 0.00 H new ATOM 0 HG3 LYS A 7 3.713 27.166 14.744 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.532 27.211 16.866 1.00 0.00 H new ATOM 0 HD3 LYS A 7 3.256 27.131 17.169 1.00 0.00 H new ATOM 0 HE2 LYS A 7 3.611 29.347 16.279 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.991 29.415 15.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 2.155 30.679 17.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.095 29.370 17.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.665 29.304 18.512 1.00 0.00 H new ATOM 147 N GLY A 8 0.895 28.566 11.391 1.00 0.00 N ATOM 148 CA GLY A 8 0.014 29.175 10.420 1.00 0.00 C ATOM 149 C GLY A 8 0.619 29.153 9.032 1.00 0.00 C ATOM 150 O GLY A 8 0.280 29.965 8.177 1.00 0.00 O ATOM 0 H GLY A 8 1.642 29.175 11.725 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -0.940 28.647 10.411 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -0.194 30.205 10.711 1.00 0.00 H new ATOM 154 N TYR A 9 1.538 28.221 8.822 1.00 0.00 N ATOM 155 CA TYR A 9 2.145 28.003 7.520 1.00 0.00 C ATOM 156 C TYR A 9 1.092 27.506 6.530 1.00 0.00 C ATOM 157 O TYR A 9 0.748 26.323 6.508 1.00 0.00 O ATOM 158 CB TYR A 9 3.282 26.989 7.671 1.00 0.00 C ATOM 159 CG TYR A 9 3.752 26.359 6.384 1.00 0.00 C ATOM 160 CD1 TYR A 9 3.794 27.074 5.198 1.00 0.00 C ATOM 161 CD2 TYR A 9 4.124 25.028 6.361 1.00 0.00 C ATOM 162 CE1 TYR A 9 4.176 26.470 4.022 1.00 0.00 C ATOM 163 CE2 TYR A 9 4.521 24.423 5.193 1.00 0.00 C ATOM 164 CZ TYR A 9 4.540 25.147 4.025 1.00 0.00 C ATOM 165 OH TYR A 9 4.891 24.536 2.852 1.00 0.00 O ATOM 0 H TYR A 9 1.883 27.596 9.550 1.00 0.00 H new ATOM 0 HA TYR A 9 2.551 28.937 7.133 1.00 0.00 H new ATOM 0 HB2 TYR A 9 4.129 27.484 8.146 1.00 0.00 H new ATOM 0 HB3 TYR A 9 2.956 26.198 8.347 1.00 0.00 H new ATOM 0 HD1 TYR A 9 3.523 28.120 5.196 1.00 0.00 H new ATOM 0 HD2 TYR A 9 4.102 24.454 7.276 1.00 0.00 H new ATOM 0 HE1 TYR A 9 4.189 27.034 3.101 1.00 0.00 H new ATOM 0 HE2 TYR A 9 4.816 23.384 5.193 1.00 0.00 H new ATOM 0 HH TYR A 9 4.206 23.880 2.607 1.00 0.00 H new ATOM 175 N ARG A 10 0.569 28.419 5.727 1.00 0.00 N ATOM 176 CA ARG A 10 -0.478 28.090 4.767 1.00 0.00 C ATOM 177 C ARG A 10 0.096 27.985 3.353 1.00 0.00 C ATOM 178 O ARG A 10 -0.492 28.480 2.391 1.00 0.00 O ATOM 179 CB ARG A 10 -1.595 29.145 4.808 1.00 0.00 C ATOM 180 CG ARG A 10 -2.782 28.814 5.717 1.00 0.00 C ATOM 181 CD ARG A 10 -2.406 28.697 7.193 1.00 0.00 C ATOM 182 NE ARG A 10 -1.711 27.449 7.492 1.00 0.00 N ATOM 183 CZ ARG A 10 -1.835 26.774 8.631 1.00 0.00 C ATOM 184 NH1 ARG A 10 -2.723 27.142 9.542 1.00 0.00 N ATOM 185 NH2 ARG A 10 -1.074 25.714 8.847 1.00 0.00 N ATOM 0 H ARG A 10 0.853 29.399 5.720 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.898 27.123 5.042 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.164 30.092 5.133 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.967 29.295 3.794 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -3.542 29.587 5.604 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -3.230 27.876 5.389 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -1.772 29.539 7.472 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.308 28.762 7.801 1.00 0.00 H new ATOM 0 HE ARG A 10 -1.088 27.069 6.779 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -3.321 27.951 9.374 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -2.809 26.616 10.412 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -0.398 25.419 8.142 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -1.163 25.191 9.718 1.00 0.00 H new ATOM 199 N GLY A 11 1.235 27.314 3.239 1.00 0.00 N ATOM 200 CA GLY A 11 1.931 27.225 1.965 1.00 0.00 C ATOM 201 C GLY A 11 1.597 25.961 1.203 1.00 0.00 C ATOM 202 O GLY A 11 0.537 25.369 1.411 1.00 0.00 O ATOM 0 H GLY A 11 1.693 26.827 4.009 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.674 28.091 1.354 1.00 0.00 H new ATOM 0 HA3 GLY A 11 3.006 27.265 2.140 1.00 0.00 H new ATOM 206 N LYS A 12 2.500 25.531 0.327 1.00 0.00 N ATOM 207 CA LYS A 12 2.232 24.395 -0.538 1.00 0.00 C ATOM 208 C LYS A 12 3.493 23.578 -0.757 1.00 0.00 C ATOM 209 O LYS A 12 3.559 22.762 -1.677 1.00 0.00 O ATOM 210 CB LYS A 12 1.697 24.897 -1.877 1.00 0.00 C ATOM 211 CG LYS A 12 2.727 25.694 -2.663 1.00 0.00 C ATOM 212 CD LYS A 12 2.077 26.635 -3.656 1.00 0.00 C ATOM 213 CE LYS A 12 1.239 25.892 -4.687 1.00 0.00 C ATOM 214 NZ LYS A 12 2.031 24.869 -5.421 1.00 0.00 N ATOM 0 H LYS A 12 3.420 25.953 0.200 1.00 0.00 H new ATOM 0 HA LYS A 12 1.489 23.755 -0.062 1.00 0.00 H new ATOM 0 HB2 LYS A 12 1.370 24.046 -2.474 1.00 0.00 H new ATOM 0 HB3 LYS A 12 0.819 25.519 -1.702 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.347 26.266 -1.973 1.00 0.00 H new ATOM 0 HG3 LYS A 12 3.389 25.009 -3.192 1.00 0.00 H new ATOM 0 HD2 LYS A 12 1.447 27.346 -3.122 1.00 0.00 H new ATOM 0 HD3 LYS A 12 2.848 27.213 -4.165 1.00 0.00 H new ATOM 0 HE2 LYS A 12 0.397 25.410 -4.190 1.00 0.00 H new ATOM 0 HE3 LYS A 12 0.823 26.606 -5.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 1.488 24.532 -6.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 2.925 25.290 -5.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 2.235 24.069 -4.789 1.00 0.00 H new ATOM 228 N ARG A 13 4.501 23.802 0.077 1.00 0.00 N ATOM 229 CA ARG A 13 5.710 23.013 0.000 1.00 0.00 C ATOM 230 C ARG A 13 5.359 21.586 0.382 1.00 0.00 C ATOM 231 O ARG A 13 4.658 21.363 1.363 1.00 0.00 O ATOM 232 CB ARG A 13 6.784 23.567 0.928 1.00 0.00 C ATOM 233 CG ARG A 13 7.079 25.050 0.743 1.00 0.00 C ATOM 234 CD ARG A 13 7.802 25.328 -0.562 1.00 0.00 C ATOM 235 NE ARG A 13 8.181 26.737 -0.685 1.00 0.00 N ATOM 236 CZ ARG A 13 9.432 27.159 -0.841 1.00 0.00 C ATOM 237 NH1 ARG A 13 10.444 26.300 -0.778 1.00 0.00 N ATOM 238 NH2 ARG A 13 9.675 28.444 -1.035 1.00 0.00 N ATOM 0 H ARG A 13 4.500 24.517 0.805 1.00 0.00 H new ATOM 0 HA ARG A 13 6.112 23.047 -1.013 1.00 0.00 H new ATOM 0 HB2 ARG A 13 6.477 23.397 1.960 1.00 0.00 H new ATOM 0 HB3 ARG A 13 7.705 23.005 0.773 1.00 0.00 H new ATOM 0 HG2 ARG A 13 6.145 25.611 0.766 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.685 25.406 1.576 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.694 24.705 -0.623 1.00 0.00 H new ATOM 0 HD3 ARG A 13 7.161 25.050 -1.399 1.00 0.00 H new ATOM 0 HE ARG A 13 7.440 27.437 -0.649 1.00 0.00 H new ATOM 0 HH11 ARG A 13 10.263 25.310 -0.609 1.00 0.00 H new ATOM 0 HH12 ARG A 13 11.402 26.630 -0.899 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.903 29.110 -1.065 1.00 0.00 H new ATOM 0 HH22 ARG A 13 10.634 28.769 -1.155 1.00 0.00 H new ATOM 252 N VAL A 14 5.823 20.634 -0.402 1.00 0.00 N ATOM 253 CA VAL A 14 5.374 19.251 -0.277 1.00 0.00 C ATOM 254 C VAL A 14 6.550 18.285 -0.320 1.00 0.00 C ATOM 255 O VAL A 14 6.464 17.190 -0.877 1.00 0.00 O ATOM 256 CB VAL A 14 4.370 18.903 -1.396 1.00 0.00 C ATOM 257 CG1 VAL A 14 3.011 19.510 -1.097 1.00 0.00 C ATOM 258 CG2 VAL A 14 4.875 19.412 -2.735 1.00 0.00 C ATOM 0 H VAL A 14 6.513 20.788 -1.137 1.00 0.00 H new ATOM 0 HA VAL A 14 4.880 19.150 0.689 1.00 0.00 H new ATOM 0 HB VAL A 14 4.271 17.818 -1.442 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.315 19.255 -1.896 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.637 19.118 -0.151 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.104 20.594 -1.029 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.157 19.159 -3.515 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.996 20.494 -2.690 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.835 18.948 -2.962 1.00 0.00 H new ATOM 268 N THR A 15 7.638 18.709 0.287 1.00 0.00 N ATOM 269 CA THR A 15 8.872 17.966 0.302 1.00 0.00 C ATOM 270 C THR A 15 9.625 18.278 1.579 1.00 0.00 C ATOM 271 O THR A 15 9.545 19.393 2.103 1.00 0.00 O ATOM 272 CB THR A 15 9.748 18.348 -0.891 1.00 0.00 C ATOM 273 OG1 THR A 15 9.318 19.598 -1.449 1.00 0.00 O ATOM 274 CG2 THR A 15 9.713 17.268 -1.943 1.00 0.00 C ATOM 0 H THR A 15 7.687 19.594 0.791 1.00 0.00 H new ATOM 0 HA THR A 15 8.638 16.903 0.245 1.00 0.00 H new ATOM 0 HB THR A 15 10.774 18.457 -0.540 1.00 0.00 H new ATOM 0 HG1 THR A 15 9.889 19.830 -2.211 1.00 0.00 H new ATOM 0 HG21 THR A 15 10.343 17.559 -2.784 1.00 0.00 H new ATOM 0 HG22 THR A 15 10.083 16.335 -1.519 1.00 0.00 H new ATOM 0 HG23 THR A 15 8.688 17.129 -2.288 1.00 0.00 H new ATOM 282 N THR A 16 10.350 17.301 2.069 1.00 0.00 N ATOM 283 CA THR A 16 11.116 17.459 3.279 1.00 0.00 C ATOM 284 C THR A 16 12.373 18.285 3.027 1.00 0.00 C ATOM 285 O THR A 16 12.583 18.787 1.920 1.00 0.00 O ATOM 286 CB THR A 16 11.510 16.087 3.823 1.00 0.00 C ATOM 287 OG1 THR A 16 12.243 15.381 2.817 1.00 0.00 O ATOM 288 CG2 THR A 16 10.280 15.287 4.211 1.00 0.00 C ATOM 0 H THR A 16 10.425 16.378 1.641 1.00 0.00 H new ATOM 0 HA THR A 16 10.498 17.983 4.008 1.00 0.00 H new ATOM 0 HB THR A 16 12.126 16.222 4.712 1.00 0.00 H new ATOM 0 HG1 THR A 16 12.650 14.581 3.210 1.00 0.00 H new ATOM 0 HG21 THR A 16 10.585 14.314 4.596 1.00 0.00 H new ATOM 0 HG22 THR A 16 9.725 15.823 4.981 1.00 0.00 H new ATOM 0 HG23 THR A 16 9.645 15.148 3.336 1.00 0.00 H new ATOM 296 N VAL A 17 13.224 18.402 4.035 1.00 0.00 N ATOM 297 CA VAL A 17 14.475 19.128 3.887 1.00 0.00 C ATOM 298 C VAL A 17 15.395 18.426 2.904 1.00 0.00 C ATOM 299 O VAL A 17 16.347 19.010 2.380 1.00 0.00 O ATOM 300 CB VAL A 17 15.222 19.302 5.217 1.00 0.00 C ATOM 301 CG1 VAL A 17 14.510 20.305 6.109 1.00 0.00 C ATOM 302 CG2 VAL A 17 15.394 17.970 5.934 1.00 0.00 C ATOM 0 H VAL A 17 13.071 18.004 4.962 1.00 0.00 H new ATOM 0 HA VAL A 17 14.205 20.116 3.514 1.00 0.00 H new ATOM 0 HB VAL A 17 16.216 19.689 4.991 1.00 0.00 H new ATOM 0 HG11 VAL A 17 15.057 20.412 7.046 1.00 0.00 H new ATOM 0 HG12 VAL A 17 14.462 21.270 5.605 1.00 0.00 H new ATOM 0 HG13 VAL A 17 13.500 19.953 6.317 1.00 0.00 H new ATOM 0 HG21 VAL A 17 15.926 18.128 6.872 1.00 0.00 H new ATOM 0 HG22 VAL A 17 14.414 17.539 6.141 1.00 0.00 H new ATOM 0 HG23 VAL A 17 15.964 17.288 5.303 1.00 0.00 H new ATOM 312 N THR A 18 15.092 17.171 2.655 1.00 0.00 N ATOM 313 CA THR A 18 15.879 16.348 1.766 1.00 0.00 C ATOM 314 C THR A 18 15.299 16.398 0.369 1.00 0.00 C ATOM 315 O THR A 18 15.947 16.011 -0.607 1.00 0.00 O ATOM 316 CB THR A 18 15.871 14.890 2.246 1.00 0.00 C ATOM 317 OG1 THR A 18 14.539 14.363 2.136 1.00 0.00 O ATOM 318 CG2 THR A 18 16.326 14.805 3.692 1.00 0.00 C ATOM 0 H THR A 18 14.290 16.692 3.065 1.00 0.00 H new ATOM 0 HA THR A 18 16.901 16.728 1.761 1.00 0.00 H new ATOM 0 HB THR A 18 16.555 14.310 1.627 1.00 0.00 H new ATOM 0 HG1 THR A 18 13.892 15.097 2.183 1.00 0.00 H new ATOM 0 HG21 THR A 18 16.314 13.764 4.016 1.00 0.00 H new ATOM 0 HG22 THR A 18 17.338 15.201 3.779 1.00 0.00 H new ATOM 0 HG23 THR A 18 15.653 15.388 4.320 1.00 0.00 H new ATOM 326 N GLY A 19 14.075 16.893 0.280 1.00 0.00 N ATOM 327 CA GLY A 19 13.363 16.844 -0.963 1.00 0.00 C ATOM 328 C GLY A 19 12.570 15.566 -1.097 1.00 0.00 C ATOM 329 O GLY A 19 12.091 15.245 -2.183 1.00 0.00 O ATOM 0 H GLY A 19 13.568 17.327 1.051 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.691 17.699 -1.032 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.068 16.924 -1.791 1.00 0.00 H new ATOM 333 N THR A 20 12.440 14.819 -0.001 1.00 0.00 N ATOM 334 CA THR A 20 11.580 13.652 -0.003 1.00 0.00 C ATOM 335 C THR A 20 10.126 14.100 0.074 1.00 0.00 C ATOM 336 O THR A 20 9.737 14.788 1.016 1.00 0.00 O ATOM 337 CB THR A 20 11.901 12.708 1.170 1.00 0.00 C ATOM 338 OG1 THR A 20 13.257 12.243 1.062 1.00 0.00 O ATOM 339 CG2 THR A 20 10.950 11.520 1.191 1.00 0.00 C ATOM 0 H THR A 20 12.914 15.003 0.883 1.00 0.00 H new ATOM 0 HA THR A 20 11.753 13.100 -0.927 1.00 0.00 H new ATOM 0 HB THR A 20 11.777 13.263 2.100 1.00 0.00 H new ATOM 0 HG1 THR A 20 13.871 12.964 1.315 1.00 0.00 H new ATOM 0 HG21 THR A 20 11.199 10.869 2.029 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.926 11.876 1.300 1.00 0.00 H new ATOM 0 HG23 THR A 20 11.043 10.963 0.259 1.00 0.00 H new ATOM 347 N PRO A 21 9.319 13.758 -0.940 1.00 0.00 N ATOM 348 CA PRO A 21 7.904 14.131 -0.990 1.00 0.00 C ATOM 349 C PRO A 21 7.154 13.807 0.288 1.00 0.00 C ATOM 350 O PRO A 21 7.205 12.680 0.792 1.00 0.00 O ATOM 351 CB PRO A 21 7.362 13.273 -2.114 1.00 0.00 C ATOM 352 CG PRO A 21 8.515 13.096 -3.031 1.00 0.00 C ATOM 353 CD PRO A 21 9.721 12.990 -2.138 1.00 0.00 C ATOM 0 HA PRO A 21 7.786 15.206 -1.130 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.999 12.315 -1.743 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.525 13.758 -2.617 1.00 0.00 H new ATOM 0 HG2 PRO A 21 8.398 12.201 -3.642 1.00 0.00 H new ATOM 0 HG3 PRO A 21 8.606 13.939 -3.716 1.00 0.00 H new ATOM 0 HD2 PRO A 21 9.952 11.953 -1.894 1.00 0.00 H new ATOM 0 HD3 PRO A 21 10.609 13.412 -2.608 1.00 0.00 H new ATOM 361 N CYS A 22 6.475 14.801 0.813 1.00 0.00 N ATOM 362 CA CYS A 22 5.603 14.595 1.950 1.00 0.00 C ATOM 363 C CYS A 22 4.393 13.755 1.561 1.00 0.00 C ATOM 364 O CYS A 22 3.824 13.905 0.477 1.00 0.00 O ATOM 365 CB CYS A 22 5.152 15.934 2.513 1.00 0.00 C ATOM 366 SG CYS A 22 6.533 16.980 3.053 1.00 0.00 S ATOM 0 H CYS A 22 6.509 15.762 0.472 1.00 0.00 H new ATOM 0 HA CYS A 22 6.161 14.057 2.716 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.577 16.465 1.755 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.484 15.760 3.357 1.00 0.00 H new ATOM 371 N GLN A 23 4.046 12.844 2.448 1.00 0.00 N ATOM 372 CA GLN A 23 2.845 12.040 2.334 1.00 0.00 C ATOM 373 C GLN A 23 1.636 12.911 2.536 1.00 0.00 C ATOM 374 O GLN A 23 1.740 14.017 3.063 1.00 0.00 O ATOM 375 CB GLN A 23 2.828 10.988 3.427 1.00 0.00 C ATOM 376 CG GLN A 23 1.822 9.873 3.226 1.00 0.00 C ATOM 377 CD GLN A 23 1.939 8.848 4.317 1.00 0.00 C ATOM 378 OE1 GLN A 23 2.722 7.928 4.206 1.00 0.00 O ATOM 379 NE2 GLN A 23 1.115 8.959 5.342 1.00 0.00 N ATOM 0 H GLN A 23 4.598 12.638 3.280 1.00 0.00 H new ATOM 0 HA GLN A 23 2.831 11.575 1.348 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.823 10.550 3.504 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.620 11.477 4.379 1.00 0.00 H new ATOM 0 HG2 GLN A 23 0.813 10.285 3.214 1.00 0.00 H new ATOM 0 HG3 GLN A 23 1.985 9.400 2.257 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.472 9.749 5.396 1.00 0.00 H new ATOM 0 HE22 GLN A 23 1.121 8.255 6.080 1.00 0.00 H new ATOM 388 N ASP A 24 0.492 12.386 2.175 1.00 0.00 N ATOM 389 CA ASP A 24 -0.737 13.081 2.408 1.00 0.00 C ATOM 390 C ASP A 24 -1.041 12.901 3.869 1.00 0.00 C ATOM 391 O ASP A 24 -0.992 11.782 4.391 1.00 0.00 O ATOM 392 CB ASP A 24 -1.864 12.490 1.579 1.00 0.00 C ATOM 393 CG ASP A 24 -2.996 13.461 1.342 1.00 0.00 C ATOM 394 OD1 ASP A 24 -3.709 13.794 2.308 1.00 0.00 O ATOM 395 OD2 ASP A 24 -3.185 13.889 0.183 1.00 0.00 O ATOM 0 H ASP A 24 0.392 11.479 1.719 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.647 14.131 2.130 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.467 12.162 0.618 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.252 11.605 2.083 1.00 0.00 H new ATOM 400 N TRP A 25 -1.307 13.990 4.527 1.00 0.00 N ATOM 401 CA TRP A 25 -1.659 13.959 5.934 1.00 0.00 C ATOM 402 C TRP A 25 -2.892 13.100 6.113 1.00 0.00 C ATOM 403 O TRP A 25 -3.074 12.440 7.134 1.00 0.00 O ATOM 404 CB TRP A 25 -1.927 15.366 6.448 1.00 0.00 C ATOM 405 CG TRP A 25 -0.811 16.313 6.169 1.00 0.00 C ATOM 406 CD1 TRP A 25 -0.651 17.063 5.053 1.00 0.00 C ATOM 407 CD2 TRP A 25 0.299 16.616 7.017 1.00 0.00 C ATOM 408 NE1 TRP A 25 0.491 17.800 5.147 1.00 0.00 N ATOM 409 CE2 TRP A 25 1.088 17.556 6.347 1.00 0.00 C ATOM 410 CE3 TRP A 25 0.695 16.186 8.274 1.00 0.00 C ATOM 411 CZ2 TRP A 25 2.256 18.075 6.898 1.00 0.00 C ATOM 412 CZ3 TRP A 25 1.849 16.699 8.828 1.00 0.00 C ATOM 413 CH2 TRP A 25 2.618 17.637 8.140 1.00 0.00 C ATOM 0 H TRP A 25 -1.289 14.924 4.116 1.00 0.00 H new ATOM 0 HA TRP A 25 -0.830 13.540 6.504 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -2.841 15.746 5.990 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -2.102 15.326 7.523 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -1.329 17.075 4.212 1.00 0.00 H new ATOM 0 HE1 TRP A 25 0.844 18.435 4.431 1.00 0.00 H new ATOM 0 HE3 TRP A 25 0.107 15.458 8.813 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 2.854 18.798 6.363 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 2.161 16.370 9.808 1.00 0.00 H new ATOM 0 HH2 TRP A 25 3.516 18.024 8.598 1.00 0.00 H new ATOM 424 N ALA A 26 -3.727 13.118 5.089 1.00 0.00 N ATOM 425 CA ALA A 26 -4.938 12.325 5.066 1.00 0.00 C ATOM 426 C ALA A 26 -4.670 10.858 4.731 1.00 0.00 C ATOM 427 O ALA A 26 -5.538 10.017 4.955 1.00 0.00 O ATOM 428 CB ALA A 26 -5.945 12.916 4.091 1.00 0.00 C ATOM 0 H ALA A 26 -3.583 13.683 4.252 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.355 12.353 6.073 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.849 12.307 4.087 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.194 13.932 4.396 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.515 12.933 3.090 1.00 0.00 H new ATOM 434 N ALA A 27 -3.482 10.517 4.208 1.00 0.00 N ATOM 435 CA ALA A 27 -3.249 9.163 3.788 1.00 0.00 C ATOM 436 C ALA A 27 -2.382 8.489 4.811 1.00 0.00 C ATOM 437 O ALA A 27 -1.566 9.125 5.438 1.00 0.00 O ATOM 438 CB ALA A 27 -2.600 9.116 2.413 1.00 0.00 C ATOM 0 H ALA A 27 -2.698 11.155 4.076 1.00 0.00 H new ATOM 0 HA ALA A 27 -4.202 8.640 3.709 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.436 8.078 2.123 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.254 9.597 1.686 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.644 9.639 2.444 1.00 0.00 H new ATOM 444 N GLN A 28 -2.568 7.213 4.974 1.00 0.00 N ATOM 445 CA GLN A 28 -1.805 6.422 5.900 1.00 0.00 C ATOM 446 C GLN A 28 -0.800 5.682 5.070 1.00 0.00 C ATOM 447 O GLN A 28 -0.442 4.542 5.351 1.00 0.00 O ATOM 448 CB GLN A 28 -2.718 5.414 6.595 1.00 0.00 C ATOM 449 CG GLN A 28 -3.924 6.033 7.262 1.00 0.00 C ATOM 450 CD GLN A 28 -3.515 6.962 8.365 1.00 0.00 C ATOM 451 OE1 GLN A 28 -3.330 6.537 9.494 1.00 0.00 O ATOM 452 NE2 GLN A 28 -3.357 8.234 8.045 1.00 0.00 N ATOM 0 H GLN A 28 -3.268 6.680 4.458 1.00 0.00 H new ATOM 0 HA GLN A 28 -1.334 7.042 6.663 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -3.057 4.682 5.862 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -2.140 4.872 7.344 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.512 6.578 6.523 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -4.564 5.247 7.663 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -3.523 8.543 7.087 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -3.069 8.907 8.756 1.00 0.00 H new ATOM 461 N GLU A 29 -0.364 6.343 4.019 1.00 0.00 N ATOM 462 CA GLU A 29 0.186 5.632 2.908 1.00 0.00 C ATOM 463 C GLU A 29 1.324 6.354 2.215 1.00 0.00 C ATOM 464 O GLU A 29 1.148 7.451 1.694 1.00 0.00 O ATOM 465 CB GLU A 29 -0.953 5.365 1.936 1.00 0.00 C ATOM 466 CG GLU A 29 -1.930 4.312 2.435 1.00 0.00 C ATOM 467 CD GLU A 29 -3.012 3.976 1.435 1.00 0.00 C ATOM 468 OE1 GLU A 29 -2.782 3.107 0.571 1.00 0.00 O ATOM 469 OE2 GLU A 29 -4.114 4.561 1.526 1.00 0.00 O ATOM 0 H GLU A 29 -0.383 7.358 3.920 1.00 0.00 H new ATOM 0 HA GLU A 29 0.629 4.707 3.277 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -1.492 6.295 1.754 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.539 5.044 0.980 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -1.380 3.404 2.682 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.394 4.665 3.356 1.00 0.00 H new ATOM 476 N PRO A 30 2.508 5.714 2.172 1.00 0.00 N ATOM 477 CA PRO A 30 2.722 4.378 2.741 1.00 0.00 C ATOM 478 C PRO A 30 3.180 4.399 4.206 1.00 0.00 C ATOM 479 O PRO A 30 4.020 3.598 4.618 1.00 0.00 O ATOM 480 CB PRO A 30 3.825 3.828 1.844 1.00 0.00 C ATOM 481 CG PRO A 30 4.643 5.023 1.467 1.00 0.00 C ATOM 482 CD PRO A 30 3.726 6.224 1.519 1.00 0.00 C ATOM 0 HA PRO A 30 1.805 3.789 2.764 1.00 0.00 H new ATOM 0 HB2 PRO A 30 4.427 3.086 2.368 1.00 0.00 H new ATOM 0 HB3 PRO A 30 3.411 3.338 0.963 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.481 5.148 2.153 1.00 0.00 H new ATOM 0 HG3 PRO A 30 5.064 4.902 0.469 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.171 7.042 2.086 1.00 0.00 H new ATOM 0 HD3 PRO A 30 3.513 6.607 0.521 1.00 0.00 H new ATOM 490 N HIS A 31 2.644 5.339 4.978 1.00 0.00 N ATOM 491 CA HIS A 31 2.948 5.454 6.397 1.00 0.00 C ATOM 492 C HIS A 31 1.659 5.638 7.168 1.00 0.00 C ATOM 493 O HIS A 31 0.969 6.662 7.026 1.00 0.00 O ATOM 494 CB HIS A 31 3.915 6.621 6.671 1.00 0.00 C ATOM 495 CG HIS A 31 5.253 6.429 6.032 1.00 0.00 C ATOM 496 ND1 HIS A 31 5.438 6.481 4.674 1.00 0.00 N ATOM 497 CD2 HIS A 31 6.461 6.137 6.564 1.00 0.00 C ATOM 498 CE1 HIS A 31 6.697 6.222 4.394 1.00 0.00 C ATOM 499 NE2 HIS A 31 7.345 6.012 5.522 1.00 0.00 N ATOM 0 H HIS A 31 1.988 6.041 4.636 1.00 0.00 H new ATOM 0 HA HIS A 31 3.442 4.540 6.725 1.00 0.00 H new ATOM 0 HB2 HIS A 31 3.472 7.547 6.304 1.00 0.00 H new ATOM 0 HB3 HIS A 31 4.045 6.734 7.747 1.00 0.00 H new ATOM 0 HD2 HIS A 31 6.688 6.023 7.614 1.00 0.00 H new ATOM 0 HE1 HIS A 31 7.128 6.187 3.404 1.00 0.00 H new ATOM 0 HE2 HIS A 31 8.338 5.793 5.606 1.00 0.00 H new ATOM 508 N ARG A 32 1.320 4.632 7.958 1.00 0.00 N ATOM 509 CA ARG A 32 0.077 4.632 8.705 1.00 0.00 C ATOM 510 C ARG A 32 0.198 5.616 9.855 1.00 0.00 C ATOM 511 O ARG A 32 1.009 5.421 10.761 1.00 0.00 O ATOM 512 CB ARG A 32 -0.228 3.238 9.278 1.00 0.00 C ATOM 513 CG ARG A 32 -0.114 2.091 8.283 1.00 0.00 C ATOM 514 CD ARG A 32 -1.155 2.177 7.181 1.00 0.00 C ATOM 515 NE ARG A 32 -2.522 2.175 7.697 1.00 0.00 N ATOM 516 CZ ARG A 32 -3.602 2.168 6.918 1.00 0.00 C ATOM 517 NH1 ARG A 32 -3.467 2.044 5.603 1.00 0.00 N ATOM 518 NH2 ARG A 32 -4.812 2.258 7.454 1.00 0.00 N ATOM 0 H ARG A 32 1.894 3.801 8.098 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.732 4.915 8.031 1.00 0.00 H new ATOM 0 HB2 ARG A 32 0.452 3.047 10.108 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -1.238 3.244 9.688 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.882 2.095 7.840 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -0.224 1.143 8.810 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -0.991 3.085 6.601 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -1.027 1.336 6.499 1.00 0.00 H new ATOM 0 HE ARG A 32 -2.656 2.179 8.708 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -2.538 1.954 5.192 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -4.292 2.038 5.004 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -4.917 2.333 8.466 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -5.637 2.252 6.854 1.00 0.00 H new ATOM 532 N HIS A 33 -0.587 6.679 9.821 1.00 0.00 N ATOM 533 CA HIS A 33 -0.500 7.689 10.867 1.00 0.00 C ATOM 534 C HIS A 33 -1.867 8.304 11.125 1.00 0.00 C ATOM 535 O HIS A 33 -2.288 9.263 10.483 1.00 0.00 O ATOM 536 CB HIS A 33 0.529 8.773 10.509 1.00 0.00 C ATOM 537 CG HIS A 33 0.127 9.606 9.343 1.00 0.00 C ATOM 538 ND1 HIS A 33 -0.098 10.948 9.423 1.00 0.00 N ATOM 539 CD2 HIS A 33 -0.153 9.260 8.091 1.00 0.00 C ATOM 540 CE1 HIS A 33 -0.499 11.405 8.265 1.00 0.00 C ATOM 541 NE2 HIS A 33 -0.539 10.400 7.429 1.00 0.00 N ATOM 0 H HIS A 33 -1.280 6.866 9.096 1.00 0.00 H new ATOM 0 HA HIS A 33 -0.162 7.202 11.782 1.00 0.00 H new ATOM 0 HB2 HIS A 33 0.680 9.420 11.373 1.00 0.00 H new ATOM 0 HB3 HIS A 33 1.486 8.298 10.294 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -0.089 8.267 7.672 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -0.752 12.430 8.039 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -0.812 10.454 6.448 1.00 0.00 H new ATOM 550 N SER A 34 -2.577 7.720 12.049 1.00 0.00 N ATOM 551 CA SER A 34 -3.857 8.260 12.486 1.00 0.00 C ATOM 552 C SER A 34 -3.611 9.452 13.421 1.00 0.00 C ATOM 553 O SER A 34 -4.339 9.679 14.389 1.00 0.00 O ATOM 554 CB SER A 34 -4.673 7.161 13.177 1.00 0.00 C ATOM 555 OG SER A 34 -6.009 7.571 13.414 1.00 0.00 O ATOM 0 H SER A 34 -2.297 6.862 12.524 1.00 0.00 H new ATOM 0 HA SER A 34 -4.430 8.611 11.628 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.672 6.264 12.558 1.00 0.00 H new ATOM 0 HB3 SER A 34 -4.200 6.897 14.123 1.00 0.00 H new ATOM 0 HG SER A 34 -6.009 8.445 13.858 1.00 0.00 H new ATOM 561 N ILE A 35 -2.558 10.199 13.109 1.00 0.00 N ATOM 562 CA ILE A 35 -2.098 11.304 13.892 1.00 0.00 C ATOM 563 C ILE A 35 -1.597 12.345 12.928 1.00 0.00 C ATOM 564 O ILE A 35 -0.993 12.008 11.902 1.00 0.00 O ATOM 565 CB ILE A 35 -0.967 10.918 14.872 1.00 0.00 C ATOM 566 CG1 ILE A 35 0.151 10.185 14.127 1.00 0.00 C ATOM 567 CG2 ILE A 35 -1.507 10.074 16.017 1.00 0.00 C ATOM 568 CD1 ILE A 35 1.322 9.796 15.004 1.00 0.00 C ATOM 0 H ILE A 35 -1.994 10.034 12.275 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.921 11.670 14.506 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.552 11.830 15.301 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.261 9.286 13.668 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.511 10.820 13.318 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.693 9.815 16.693 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.264 10.640 16.560 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.952 9.162 15.619 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.072 9.281 14.403 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.761 10.692 15.443 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.977 9.134 15.799 1.00 0.00 H new ATOM 580 N PHE A 36 -1.862 13.587 13.243 1.00 0.00 N ATOM 581 CA PHE A 36 -1.513 14.687 12.393 1.00 0.00 C ATOM 582 C PHE A 36 -2.106 14.513 11.004 1.00 0.00 C ATOM 583 O PHE A 36 -1.431 14.645 9.985 1.00 0.00 O ATOM 584 CB PHE A 36 -0.004 14.889 12.376 1.00 0.00 C ATOM 585 CG PHE A 36 0.573 14.942 13.763 1.00 0.00 C ATOM 586 CD1 PHE A 36 0.331 16.030 14.585 1.00 0.00 C ATOM 587 CD2 PHE A 36 1.331 13.894 14.254 1.00 0.00 C ATOM 588 CE1 PHE A 36 0.839 16.072 15.867 1.00 0.00 C ATOM 589 CE2 PHE A 36 1.840 13.929 15.536 1.00 0.00 C ATOM 590 CZ PHE A 36 1.594 15.018 16.345 1.00 0.00 C ATOM 0 H PHE A 36 -2.331 13.862 14.106 1.00 0.00 H new ATOM 0 HA PHE A 36 -1.949 15.600 12.797 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.464 14.077 11.819 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.232 15.814 11.850 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.262 16.855 14.218 1.00 0.00 H new ATOM 0 HD2 PHE A 36 1.527 13.038 13.626 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.647 16.928 16.497 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.431 13.104 15.906 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.990 15.047 17.349 1.00 0.00 H new ATOM 600 N THR A 37 -3.383 14.169 11.001 1.00 0.00 N ATOM 601 CA THR A 37 -4.197 14.181 9.806 1.00 0.00 C ATOM 602 C THR A 37 -5.025 15.461 9.793 1.00 0.00 C ATOM 603 O THR A 37 -4.996 16.225 10.764 1.00 0.00 O ATOM 604 CB THR A 37 -5.162 12.972 9.761 1.00 0.00 C ATOM 605 OG1 THR A 37 -6.238 13.162 10.697 1.00 0.00 O ATOM 606 CG2 THR A 37 -4.432 11.678 10.083 1.00 0.00 C ATOM 0 H THR A 37 -3.885 13.871 11.838 1.00 0.00 H new ATOM 0 HA THR A 37 -3.535 14.126 8.942 1.00 0.00 H new ATOM 0 HB THR A 37 -5.565 12.902 8.751 1.00 0.00 H new ATOM 0 HG1 THR A 37 -6.844 12.392 10.660 1.00 0.00 H new ATOM 0 HG21 THR A 37 -5.134 10.845 10.044 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.638 11.517 9.354 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.000 11.743 11.082 1.00 0.00 H new ATOM 614 N PRO A 38 -5.782 15.724 8.723 1.00 0.00 N ATOM 615 CA PRO A 38 -6.718 16.847 8.701 1.00 0.00 C ATOM 616 C PRO A 38 -7.789 16.721 9.784 1.00 0.00 C ATOM 617 O PRO A 38 -8.380 17.712 10.212 1.00 0.00 O ATOM 618 CB PRO A 38 -7.376 16.752 7.325 1.00 0.00 C ATOM 619 CG PRO A 38 -6.454 15.925 6.498 1.00 0.00 C ATOM 620 CD PRO A 38 -5.762 14.991 7.446 1.00 0.00 C ATOM 0 HA PRO A 38 -6.209 17.793 8.884 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -8.362 16.292 7.393 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -7.515 17.741 6.888 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -7.005 15.370 5.738 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.733 16.552 5.974 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -6.283 14.037 7.522 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.744 14.773 7.124 1.00 0.00 H new ATOM 628 N GLU A 39 -8.010 15.494 10.242 1.00 0.00 N ATOM 629 CA GLU A 39 -9.124 15.198 11.127 1.00 0.00 C ATOM 630 C GLU A 39 -8.686 15.171 12.583 1.00 0.00 C ATOM 631 O GLU A 39 -9.472 15.462 13.483 1.00 0.00 O ATOM 632 CB GLU A 39 -9.745 13.859 10.741 1.00 0.00 C ATOM 633 CG GLU A 39 -10.145 13.789 9.282 1.00 0.00 C ATOM 634 CD GLU A 39 -10.782 12.467 8.921 1.00 0.00 C ATOM 635 OE1 GLU A 39 -10.044 11.477 8.745 1.00 0.00 O ATOM 636 OE2 GLU A 39 -12.021 12.413 8.800 1.00 0.00 O ATOM 0 H GLU A 39 -7.429 14.688 10.013 1.00 0.00 H new ATOM 0 HA GLU A 39 -9.865 15.990 11.018 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -9.035 13.060 10.956 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -10.623 13.680 11.361 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -10.842 14.597 9.060 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.265 13.947 8.659 1.00 0.00 H new ATOM 643 N THR A 40 -7.432 14.825 12.819 1.00 0.00 N ATOM 644 CA THR A 40 -6.914 14.793 14.174 1.00 0.00 C ATOM 645 C THR A 40 -6.372 16.156 14.561 1.00 0.00 C ATOM 646 O THR A 40 -6.177 16.450 15.738 1.00 0.00 O ATOM 647 CB THR A 40 -5.804 13.740 14.334 1.00 0.00 C ATOM 648 OG1 THR A 40 -4.741 14.007 13.412 1.00 0.00 O ATOM 649 CG2 THR A 40 -6.350 12.340 14.100 1.00 0.00 C ATOM 0 H THR A 40 -6.760 14.565 12.097 1.00 0.00 H new ATOM 0 HA THR A 40 -7.740 14.523 14.832 1.00 0.00 H new ATOM 0 HB THR A 40 -5.422 13.796 15.353 1.00 0.00 H new ATOM 0 HG1 THR A 40 -4.217 14.772 13.729 1.00 0.00 H new ATOM 0 HG21 THR A 40 -5.547 11.612 14.218 1.00 0.00 H new ATOM 0 HG22 THR A 40 -7.139 12.131 14.823 1.00 0.00 H new ATOM 0 HG23 THR A 40 -6.756 12.272 13.091 1.00 0.00 H new ATOM 657 N ASN A 41 -6.133 16.994 13.558 1.00 0.00 N ATOM 658 CA ASN A 41 -5.581 18.320 13.793 1.00 0.00 C ATOM 659 C ASN A 41 -6.275 19.378 12.932 1.00 0.00 C ATOM 660 O ASN A 41 -5.607 20.129 12.220 1.00 0.00 O ATOM 661 CB ASN A 41 -4.079 18.318 13.492 1.00 0.00 C ATOM 662 CG ASN A 41 -3.289 17.417 14.416 1.00 0.00 C ATOM 663 OD1 ASN A 41 -3.193 16.211 14.200 1.00 0.00 O ATOM 664 ND2 ASN A 41 -2.711 18.001 15.446 1.00 0.00 N ATOM 0 H ASN A 41 -6.313 16.778 12.578 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.749 18.572 14.840 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -3.922 17.999 12.462 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -3.697 19.336 13.573 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -2.158 17.449 16.101 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -2.817 19.006 15.588 1.00 0.00 H new ATOM 671 N PRO A 42 -7.618 19.490 13.005 1.00 0.00 N ATOM 672 CA PRO A 42 -8.383 20.460 12.202 1.00 0.00 C ATOM 673 C PRO A 42 -8.176 21.908 12.657 1.00 0.00 C ATOM 674 O PRO A 42 -9.099 22.719 12.623 1.00 0.00 O ATOM 675 CB PRO A 42 -9.851 20.051 12.416 1.00 0.00 C ATOM 676 CG PRO A 42 -9.815 18.741 13.127 1.00 0.00 C ATOM 677 CD PRO A 42 -8.504 18.686 13.855 1.00 0.00 C ATOM 0 HA PRO A 42 -8.065 20.438 11.160 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -10.382 20.799 13.004 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -10.374 19.964 11.464 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -10.649 18.655 13.823 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -9.902 17.915 12.422 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -8.583 19.100 14.860 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -8.143 17.663 13.959 1.00 0.00 H new ATOM 685 N ARG A 43 -6.966 22.223 13.094 1.00 0.00 N ATOM 686 CA ARG A 43 -6.629 23.573 13.507 1.00 0.00 C ATOM 687 C ARG A 43 -5.327 24.033 12.863 1.00 0.00 C ATOM 688 O ARG A 43 -4.976 25.209 12.930 1.00 0.00 O ATOM 689 CB ARG A 43 -6.506 23.670 15.027 1.00 0.00 C ATOM 690 CG ARG A 43 -5.340 22.885 15.619 1.00 0.00 C ATOM 691 CD ARG A 43 -5.691 21.423 15.858 1.00 0.00 C ATOM 692 NE ARG A 43 -6.897 21.263 16.670 1.00 0.00 N ATOM 693 CZ ARG A 43 -7.248 20.125 17.270 1.00 0.00 C ATOM 694 NH1 ARG A 43 -6.409 19.095 17.301 1.00 0.00 N ATOM 695 NH2 ARG A 43 -8.420 20.036 17.884 1.00 0.00 N ATOM 0 H ARG A 43 -6.198 21.556 13.171 1.00 0.00 H new ATOM 0 HA ARG A 43 -7.439 24.223 13.176 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -6.399 24.719 15.304 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -7.433 23.314 15.477 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.485 22.946 14.946 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -5.038 23.343 16.561 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -5.834 20.925 14.899 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -4.855 20.928 16.353 1.00 0.00 H new ATOM 0 HE ARG A 43 -7.507 22.072 16.784 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -5.490 19.172 16.864 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -6.684 18.227 17.762 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -9.051 20.837 17.897 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -8.690 19.166 18.343 1.00 0.00 H new ATOM 709 N ALA A 44 -4.605 23.108 12.242 1.00 0.00 N ATOM 710 CA ALA A 44 -3.325 23.441 11.644 1.00 0.00 C ATOM 711 C ALA A 44 -3.405 23.384 10.128 1.00 0.00 C ATOM 712 O ALA A 44 -2.388 23.383 9.441 1.00 0.00 O ATOM 713 CB ALA A 44 -2.229 22.524 12.168 1.00 0.00 C ATOM 0 H ALA A 44 -4.883 22.132 12.142 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.073 24.463 11.928 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.279 22.792 11.706 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.150 22.632 13.250 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.472 21.490 11.924 1.00 0.00 H new ATOM 719 N GLY A 45 -4.634 23.325 9.625 1.00 0.00 N ATOM 720 CA GLY A 45 -4.886 23.415 8.194 1.00 0.00 C ATOM 721 C GLY A 45 -4.186 22.346 7.380 1.00 0.00 C ATOM 722 O GLY A 45 -3.620 22.636 6.334 1.00 0.00 O ATOM 0 H GLY A 45 -5.474 23.215 10.192 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -5.960 23.347 8.019 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.567 24.395 7.840 1.00 0.00 H new ATOM 726 N LEU A 46 -4.225 21.111 7.851 1.00 0.00 N ATOM 727 CA LEU A 46 -3.552 20.019 7.162 1.00 0.00 C ATOM 728 C LEU A 46 -4.380 19.516 5.991 1.00 0.00 C ATOM 729 O LEU A 46 -5.343 18.781 6.177 1.00 0.00 O ATOM 730 CB LEU A 46 -3.268 18.859 8.124 1.00 0.00 C ATOM 731 CG LEU A 46 -2.387 19.207 9.327 1.00 0.00 C ATOM 732 CD1 LEU A 46 -3.214 19.773 10.460 1.00 0.00 C ATOM 733 CD2 LEU A 46 -1.608 17.995 9.802 1.00 0.00 C ATOM 0 H LEU A 46 -4.713 20.838 8.704 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.607 20.407 6.782 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.219 18.472 8.491 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.790 18.054 7.565 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.677 19.968 9.004 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.563 20.011 11.301 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.720 20.678 10.124 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.956 19.038 10.772 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.991 18.271 10.657 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.303 17.208 10.095 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.970 17.634 8.996 1.00 0.00 H new ATOM 745 N GLU A 47 -4.023 19.935 4.789 1.00 0.00 N ATOM 746 CA GLU A 47 -4.636 19.411 3.594 1.00 0.00 C ATOM 747 C GLU A 47 -3.595 18.796 2.682 1.00 0.00 C ATOM 748 O GLU A 47 -2.441 19.236 2.658 1.00 0.00 O ATOM 749 CB GLU A 47 -5.383 20.499 2.841 1.00 0.00 C ATOM 750 CG GLU A 47 -4.686 21.846 2.814 1.00 0.00 C ATOM 751 CD GLU A 47 -5.462 22.861 2.007 1.00 0.00 C ATOM 752 OE1 GLU A 47 -6.468 23.388 2.523 1.00 0.00 O ATOM 753 OE2 GLU A 47 -5.083 23.122 0.840 1.00 0.00 O ATOM 0 H GLU A 47 -3.307 20.641 4.621 1.00 0.00 H new ATOM 0 HA GLU A 47 -5.345 18.642 3.901 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.543 20.167 1.815 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.367 20.624 3.292 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.560 22.211 3.833 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.688 21.731 2.391 1.00 0.00 H new ATOM 760 N LYS A 48 -4.026 17.791 1.931 1.00 0.00 N ATOM 761 CA LYS A 48 -3.178 17.112 0.964 1.00 0.00 C ATOM 762 C LYS A 48 -1.862 16.685 1.597 1.00 0.00 C ATOM 763 O LYS A 48 -1.850 16.005 2.620 1.00 0.00 O ATOM 764 CB LYS A 48 -2.930 18.010 -0.248 1.00 0.00 C ATOM 765 CG LYS A 48 -4.206 18.415 -0.962 1.00 0.00 C ATOM 766 CD LYS A 48 -5.017 17.202 -1.381 1.00 0.00 C ATOM 767 CE LYS A 48 -6.379 17.603 -1.917 1.00 0.00 C ATOM 768 NZ LYS A 48 -7.165 18.377 -0.920 1.00 0.00 N ATOM 0 H LYS A 48 -4.977 17.424 1.977 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.694 16.212 0.629 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.401 18.907 0.074 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.278 17.490 -0.950 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.806 19.047 -0.307 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.959 19.011 -1.841 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.474 16.646 -2.145 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.142 16.534 -0.529 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.252 18.200 -2.820 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.934 16.709 -2.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.158 18.427 -1.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.109 17.907 0.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.778 19.339 -0.844 1.00 0.00 H new ATOM 782 N ASN A 49 -0.757 17.100 1.006 1.00 0.00 N ATOM 783 CA ASN A 49 0.543 16.783 1.547 1.00 0.00 C ATOM 784 C ASN A 49 1.380 18.041 1.690 1.00 0.00 C ATOM 785 O ASN A 49 2.605 17.980 1.792 1.00 0.00 O ATOM 786 CB ASN A 49 1.250 15.752 0.669 1.00 0.00 C ATOM 787 CG ASN A 49 1.626 16.261 -0.711 1.00 0.00 C ATOM 788 OD1 ASN A 49 0.940 17.099 -1.299 1.00 0.00 O ATOM 789 ND2 ASN A 49 2.730 15.747 -1.236 1.00 0.00 N ATOM 0 H ASN A 49 -0.738 17.657 0.152 1.00 0.00 H new ATOM 0 HA ASN A 49 0.411 16.350 2.539 1.00 0.00 H new ATOM 0 HB2 ASN A 49 2.153 15.416 1.178 1.00 0.00 H new ATOM 0 HB3 ASN A 49 0.604 14.881 0.559 1.00 0.00 H new ATOM 0 HD21 ASN A 49 3.041 16.043 -2.161 1.00 0.00 H new ATOM 0 HD22 ASN A 49 3.269 15.055 -0.715 1.00 0.00 H new ATOM 796 N TYR A 50 0.709 19.191 1.701 1.00 0.00 N ATOM 797 CA TYR A 50 1.399 20.461 1.921 1.00 0.00 C ATOM 798 C TYR A 50 1.931 20.487 3.342 1.00 0.00 C ATOM 799 O TYR A 50 1.170 20.269 4.281 1.00 0.00 O ATOM 800 CB TYR A 50 0.465 21.656 1.738 1.00 0.00 C ATOM 801 CG TYR A 50 -0.420 21.602 0.516 1.00 0.00 C ATOM 802 CD1 TYR A 50 0.102 21.725 -0.765 1.00 0.00 C ATOM 803 CD2 TYR A 50 -1.787 21.441 0.653 1.00 0.00 C ATOM 804 CE1 TYR A 50 -0.721 21.690 -1.873 1.00 0.00 C ATOM 805 CE2 TYR A 50 -2.616 21.409 -0.447 1.00 0.00 C ATOM 806 CZ TYR A 50 -2.080 21.532 -1.709 1.00 0.00 C ATOM 807 OH TYR A 50 -2.909 21.510 -2.809 1.00 0.00 O ATOM 0 H TYR A 50 -0.298 19.271 1.562 1.00 0.00 H new ATOM 0 HA TYR A 50 2.204 20.537 1.190 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -0.168 21.740 2.621 1.00 0.00 H new ATOM 0 HB3 TYR A 50 1.067 22.563 1.690 1.00 0.00 H new ATOM 0 HD1 TYR A 50 1.167 21.850 -0.896 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -2.212 21.338 1.640 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.302 21.786 -2.864 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.682 21.288 -0.320 1.00 0.00 H new ATOM 0 HH TYR A 50 -3.837 21.390 -2.517 1.00 0.00 H new ATOM 817 N CYS A 51 3.222 20.760 3.500 1.00 0.00 N ATOM 818 CA CYS A 51 3.866 20.713 4.805 1.00 0.00 C ATOM 819 C CYS A 51 3.118 21.553 5.827 1.00 0.00 C ATOM 820 O CYS A 51 2.482 22.549 5.486 1.00 0.00 O ATOM 821 CB CYS A 51 5.306 21.189 4.691 1.00 0.00 C ATOM 822 SG CYS A 51 6.345 20.127 3.650 1.00 0.00 S ATOM 0 H CYS A 51 3.845 21.017 2.734 1.00 0.00 H new ATOM 0 HA CYS A 51 3.852 19.679 5.149 1.00 0.00 H new ATOM 0 HB2 CYS A 51 5.314 22.200 4.285 1.00 0.00 H new ATOM 0 HB3 CYS A 51 5.742 21.243 5.689 1.00 0.00 H new ATOM 827 N ARG A 52 3.206 21.148 7.083 1.00 0.00 N ATOM 828 CA ARG A 52 2.465 21.793 8.158 1.00 0.00 C ATOM 829 C ARG A 52 3.193 21.569 9.469 1.00 0.00 C ATOM 830 O ARG A 52 4.017 20.665 9.574 1.00 0.00 O ATOM 831 CB ARG A 52 1.040 21.219 8.252 1.00 0.00 C ATOM 832 CG ARG A 52 0.136 21.597 7.085 1.00 0.00 C ATOM 833 CD ARG A 52 -0.409 23.011 7.231 1.00 0.00 C ATOM 834 NE ARG A 52 -0.214 23.845 6.040 1.00 0.00 N ATOM 835 CZ ARG A 52 -0.762 23.620 4.840 1.00 0.00 C ATOM 836 NH1 ARG A 52 -1.508 22.546 4.624 1.00 0.00 N ATOM 837 NH2 ARG A 52 -0.555 24.480 3.853 1.00 0.00 N ATOM 0 H ARG A 52 3.789 20.368 7.387 1.00 0.00 H new ATOM 0 HA ARG A 52 2.395 22.861 7.950 1.00 0.00 H new ATOM 0 HB2 ARG A 52 1.101 20.132 8.312 1.00 0.00 H new ATOM 0 HB3 ARG A 52 0.582 21.564 9.179 1.00 0.00 H new ATOM 0 HG2 ARG A 52 0.693 21.516 6.152 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -0.693 20.892 7.023 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -1.474 22.959 7.456 1.00 0.00 H new ATOM 0 HD3 ARG A 52 0.074 23.491 8.082 1.00 0.00 H new ATOM 0 HE ARG A 52 0.388 24.663 6.134 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -1.671 21.878 5.378 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -1.919 22.387 3.704 1.00 0.00 H new ATOM 0 HH21 ARG A 52 0.019 25.308 4.010 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -0.970 24.314 2.936 1.00 0.00 H new ATOM 851 N ASN A 53 2.920 22.395 10.458 1.00 0.00 N ATOM 852 CA ASN A 53 3.469 22.167 11.773 1.00 0.00 C ATOM 853 C ASN A 53 2.344 22.070 12.800 1.00 0.00 C ATOM 854 O ASN A 53 2.083 23.023 13.532 1.00 0.00 O ATOM 855 CB ASN A 53 4.427 23.292 12.145 1.00 0.00 C ATOM 856 CG ASN A 53 5.449 22.847 13.160 1.00 0.00 C ATOM 857 OD1 ASN A 53 5.273 21.823 13.822 1.00 0.00 O ATOM 858 ND2 ASN A 53 6.503 23.630 13.317 1.00 0.00 N ATOM 0 H ASN A 53 2.327 23.221 10.376 1.00 0.00 H new ATOM 0 HA ASN A 53 4.021 21.227 11.766 1.00 0.00 H new ATOM 0 HB2 ASN A 53 4.936 23.647 11.249 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.861 24.134 12.544 1.00 0.00 H new ATOM 0 HD21 ASN A 53 7.214 23.396 14.010 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.605 24.468 12.745 1.00 0.00 H new ATOM 865 N PRO A 54 1.658 20.913 12.864 1.00 0.00 N ATOM 866 CA PRO A 54 0.547 20.710 13.791 1.00 0.00 C ATOM 867 C PRO A 54 0.995 20.616 15.245 1.00 0.00 C ATOM 868 O PRO A 54 0.172 20.651 16.159 1.00 0.00 O ATOM 869 CB PRO A 54 -0.107 19.408 13.331 1.00 0.00 C ATOM 870 CG PRO A 54 0.899 18.711 12.482 1.00 0.00 C ATOM 871 CD PRO A 54 1.910 19.732 12.027 1.00 0.00 C ATOM 0 HA PRO A 54 -0.138 21.558 13.771 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -0.389 18.792 14.185 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -1.019 19.609 12.768 1.00 0.00 H new ATOM 0 HG2 PRO A 54 1.387 17.915 13.045 1.00 0.00 H new ATOM 0 HG3 PRO A 54 0.416 18.244 11.624 1.00 0.00 H new ATOM 0 HD2 PRO A 54 2.928 19.365 12.158 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.788 19.964 10.969 1.00 0.00 H new ATOM 879 N ASP A 55 2.297 20.491 15.454 1.00 0.00 N ATOM 880 CA ASP A 55 2.861 20.545 16.798 1.00 0.00 C ATOM 881 C ASP A 55 3.419 21.929 17.066 1.00 0.00 C ATOM 882 O ASP A 55 3.552 22.357 18.214 1.00 0.00 O ATOM 883 CB ASP A 55 3.984 19.522 16.985 1.00 0.00 C ATOM 884 CG ASP A 55 3.496 18.090 16.984 1.00 0.00 C ATOM 885 OD1 ASP A 55 2.732 17.719 17.898 1.00 0.00 O ATOM 886 OD2 ASP A 55 3.908 17.326 16.090 1.00 0.00 O ATOM 0 H ASP A 55 2.983 20.352 14.713 1.00 0.00 H new ATOM 0 HA ASP A 55 2.058 20.312 17.497 1.00 0.00 H new ATOM 0 HB2 ASP A 55 4.718 19.649 16.189 1.00 0.00 H new ATOM 0 HB3 ASP A 55 4.496 19.723 17.926 1.00 0.00 H new ATOM 891 N GLY A 56 3.730 22.628 15.983 1.00 0.00 N ATOM 892 CA GLY A 56 4.456 23.870 16.067 1.00 0.00 C ATOM 893 C GLY A 56 5.817 23.655 16.664 1.00 0.00 C ATOM 894 O GLY A 56 6.198 24.316 17.628 1.00 0.00 O ATOM 0 H GLY A 56 3.485 22.346 15.034 1.00 0.00 H new ATOM 0 HA2 GLY A 56 4.555 24.306 15.073 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.897 24.583 16.673 1.00 0.00 H new ATOM 898 N ASP A 57 6.527 22.689 16.100 1.00 0.00 N ATOM 899 CA ASP A 57 7.917 22.467 16.433 1.00 0.00 C ATOM 900 C ASP A 57 8.663 23.772 16.254 1.00 0.00 C ATOM 901 O ASP A 57 8.555 24.399 15.199 1.00 0.00 O ATOM 902 CB ASP A 57 8.529 21.410 15.512 1.00 0.00 C ATOM 903 CG ASP A 57 9.870 20.910 16.007 1.00 0.00 C ATOM 904 OD1 ASP A 57 10.822 21.709 16.073 1.00 0.00 O ATOM 905 OD2 ASP A 57 9.974 19.711 16.344 1.00 0.00 O ATOM 0 H ASP A 57 6.154 22.043 15.404 1.00 0.00 H new ATOM 0 HA ASP A 57 7.991 22.116 17.462 1.00 0.00 H new ATOM 0 HB2 ASP A 57 7.842 20.568 15.424 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.648 21.829 14.513 1.00 0.00 H new ATOM 910 N VAL A 58 9.409 24.182 17.269 1.00 0.00 N ATOM 911 CA VAL A 58 10.104 25.462 17.236 1.00 0.00 C ATOM 912 C VAL A 58 11.320 25.385 16.305 1.00 0.00 C ATOM 913 O VAL A 58 12.136 26.305 16.237 1.00 0.00 O ATOM 914 CB VAL A 58 10.536 25.900 18.657 1.00 0.00 C ATOM 915 CG1 VAL A 58 10.883 27.383 18.693 1.00 0.00 C ATOM 916 CG2 VAL A 58 9.442 25.591 19.669 1.00 0.00 C ATOM 0 H VAL A 58 9.549 23.647 18.126 1.00 0.00 H new ATOM 0 HA VAL A 58 9.414 26.212 16.849 1.00 0.00 H new ATOM 0 HB VAL A 58 11.429 25.335 18.923 1.00 0.00 H new ATOM 0 HG11 VAL A 58 11.183 27.662 19.703 1.00 0.00 H new ATOM 0 HG12 VAL A 58 11.703 27.582 18.003 1.00 0.00 H new ATOM 0 HG13 VAL A 58 10.012 27.968 18.398 1.00 0.00 H new ATOM 0 HG21 VAL A 58 9.765 25.906 20.661 1.00 0.00 H new ATOM 0 HG22 VAL A 58 8.532 26.126 19.396 1.00 0.00 H new ATOM 0 HG23 VAL A 58 9.244 24.519 19.675 1.00 0.00 H new ATOM 926 N GLY A 59 11.437 24.276 15.586 1.00 0.00 N ATOM 927 CA GLY A 59 12.474 24.136 14.608 1.00 0.00 C ATOM 928 C GLY A 59 11.942 24.351 13.214 1.00 0.00 C ATOM 929 O GLY A 59 12.715 24.542 12.275 1.00 0.00 O ATOM 0 H GLY A 59 10.820 23.468 15.672 1.00 0.00 H new ATOM 0 HA2 GLY A 59 13.269 24.854 14.811 1.00 0.00 H new ATOM 0 HA3 GLY A 59 12.916 23.142 14.682 1.00 0.00 H new ATOM 933 N GLY A 60 10.618 24.318 13.065 1.00 0.00 N ATOM 934 CA GLY A 60 10.039 24.559 11.767 1.00 0.00 C ATOM 935 C GLY A 60 9.036 23.498 11.394 1.00 0.00 C ATOM 936 O GLY A 60 8.824 22.550 12.152 1.00 0.00 O ATOM 0 H GLY A 60 9.950 24.131 13.813 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.554 25.535 11.761 1.00 0.00 H new ATOM 0 HA3 GLY A 60 10.829 24.591 11.017 1.00 0.00 H new ATOM 940 N PRO A 61 8.410 23.625 10.222 1.00 0.00 N ATOM 941 CA PRO A 61 7.356 22.724 9.795 1.00 0.00 C ATOM 942 C PRO A 61 7.908 21.404 9.303 1.00 0.00 C ATOM 943 O PRO A 61 9.090 21.281 8.974 1.00 0.00 O ATOM 944 CB PRO A 61 6.688 23.484 8.659 1.00 0.00 C ATOM 945 CG PRO A 61 7.787 24.278 8.068 1.00 0.00 C ATOM 946 CD PRO A 61 8.710 24.637 9.201 1.00 0.00 C ATOM 0 HA PRO A 61 6.676 22.465 10.606 1.00 0.00 H new ATOM 0 HB2 PRO A 61 6.248 22.805 7.929 1.00 0.00 H new ATOM 0 HB3 PRO A 61 5.885 24.124 9.024 1.00 0.00 H new ATOM 0 HG2 PRO A 61 8.314 23.704 7.305 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.401 25.174 7.583 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.755 24.600 8.894 1.00 0.00 H new ATOM 0 HD3 PRO A 61 8.521 25.646 9.568 1.00 0.00 H new ATOM 954 N TRP A 62 7.037 20.435 9.221 1.00 0.00 N ATOM 955 CA TRP A 62 7.427 19.090 8.918 1.00 0.00 C ATOM 956 C TRP A 62 6.312 18.413 8.156 1.00 0.00 C ATOM 957 O TRP A 62 5.345 19.058 7.739 1.00 0.00 O ATOM 958 CB TRP A 62 7.713 18.335 10.218 1.00 0.00 C ATOM 959 CG TRP A 62 6.555 18.371 11.163 1.00 0.00 C ATOM 960 CD1 TRP A 62 6.163 19.426 11.915 1.00 0.00 C ATOM 961 CD2 TRP A 62 5.640 17.316 11.446 1.00 0.00 C ATOM 962 NE1 TRP A 62 5.047 19.099 12.642 1.00 0.00 N ATOM 963 CE2 TRP A 62 4.715 17.806 12.380 1.00 0.00 C ATOM 964 CE3 TRP A 62 5.515 16.008 11.003 1.00 0.00 C ATOM 965 CZ2 TRP A 62 3.675 17.034 12.876 1.00 0.00 C ATOM 966 CZ3 TRP A 62 4.483 15.240 11.495 1.00 0.00 C ATOM 967 CH2 TRP A 62 3.575 15.753 12.424 1.00 0.00 C ATOM 0 H TRP A 62 6.035 20.559 9.363 1.00 0.00 H new ATOM 0 HA TRP A 62 8.330 19.093 8.308 1.00 0.00 H new ATOM 0 HB2 TRP A 62 7.958 17.298 9.987 1.00 0.00 H new ATOM 0 HB3 TRP A 62 8.588 18.769 10.702 1.00 0.00 H new ATOM 0 HD1 TRP A 62 6.657 20.386 11.939 1.00 0.00 H new ATOM 0 HE1 TRP A 62 4.548 19.723 13.276 1.00 0.00 H new ATOM 0 HE3 TRP A 62 6.213 15.600 10.287 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 2.972 17.433 13.592 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 4.374 14.221 11.156 1.00 0.00 H new ATOM 0 HH2 TRP A 62 2.779 15.122 12.791 1.00 0.00 H new ATOM 978 N CYS A 63 6.464 17.128 7.972 1.00 0.00 N ATOM 979 CA CYS A 63 5.474 16.325 7.307 1.00 0.00 C ATOM 980 C CYS A 63 5.810 14.862 7.506 1.00 0.00 C ATOM 981 O CYS A 63 6.779 14.530 8.185 1.00 0.00 O ATOM 982 CB CYS A 63 5.421 16.670 5.821 1.00 0.00 C ATOM 983 SG CYS A 63 6.943 16.272 4.905 1.00 0.00 S ATOM 0 H CYS A 63 7.284 16.606 8.282 1.00 0.00 H new ATOM 0 HA CYS A 63 4.492 16.529 7.733 1.00 0.00 H new ATOM 0 HB2 CYS A 63 4.587 16.136 5.366 1.00 0.00 H new ATOM 0 HB3 CYS A 63 5.215 17.735 5.714 1.00 0.00 H new ATOM 988 N TYR A 64 5.014 13.996 6.925 1.00 0.00 N ATOM 989 CA TYR A 64 5.335 12.587 6.885 1.00 0.00 C ATOM 990 C TYR A 64 5.889 12.299 5.520 1.00 0.00 C ATOM 991 O TYR A 64 5.462 12.910 4.555 1.00 0.00 O ATOM 992 CB TYR A 64 4.106 11.744 7.190 1.00 0.00 C ATOM 993 CG TYR A 64 3.751 11.764 8.655 1.00 0.00 C ATOM 994 CD1 TYR A 64 4.506 11.044 9.569 1.00 0.00 C ATOM 995 CD2 TYR A 64 2.677 12.503 9.128 1.00 0.00 C ATOM 996 CE1 TYR A 64 4.198 11.054 10.912 1.00 0.00 C ATOM 997 CE2 TYR A 64 2.363 12.518 10.472 1.00 0.00 C ATOM 998 CZ TYR A 64 3.127 11.789 11.358 1.00 0.00 C ATOM 999 OH TYR A 64 2.815 11.795 12.693 1.00 0.00 O ATOM 0 H TYR A 64 4.135 14.243 6.471 1.00 0.00 H new ATOM 0 HA TYR A 64 6.073 12.332 7.646 1.00 0.00 H new ATOM 0 HB2 TYR A 64 3.261 12.113 6.608 1.00 0.00 H new ATOM 0 HB3 TYR A 64 4.285 10.716 6.875 1.00 0.00 H new ATOM 0 HD1 TYR A 64 5.350 10.466 9.222 1.00 0.00 H new ATOM 0 HD2 TYR A 64 2.078 13.075 8.435 1.00 0.00 H new ATOM 0 HE1 TYR A 64 4.796 10.487 11.610 1.00 0.00 H new ATOM 0 HE2 TYR A 64 1.524 13.097 10.827 1.00 0.00 H new ATOM 0 HH TYR A 64 3.294 12.525 13.138 1.00 0.00 H new ATOM 1009 N THR A 65 6.846 11.410 5.417 1.00 0.00 N ATOM 1010 CA THR A 65 7.519 11.232 4.153 1.00 0.00 C ATOM 1011 C THR A 65 6.948 10.022 3.451 1.00 0.00 C ATOM 1012 O THR A 65 6.568 9.057 4.104 1.00 0.00 O ATOM 1013 CB THR A 65 9.044 11.056 4.335 1.00 0.00 C ATOM 1014 OG1 THR A 65 9.378 9.661 4.481 1.00 0.00 O ATOM 1015 CG2 THR A 65 9.537 11.831 5.550 1.00 0.00 C ATOM 0 H THR A 65 7.172 10.810 6.175 1.00 0.00 H new ATOM 0 HA THR A 65 7.358 12.128 3.554 1.00 0.00 H new ATOM 0 HB THR A 65 9.535 11.449 3.445 1.00 0.00 H new ATOM 0 HG1 THR A 65 9.243 9.388 5.412 1.00 0.00 H new ATOM 0 HG21 THR A 65 10.613 11.692 5.658 1.00 0.00 H new ATOM 0 HG22 THR A 65 9.319 12.891 5.418 1.00 0.00 H new ATOM 0 HG23 THR A 65 9.032 11.465 6.444 1.00 0.00 H new ATOM 1023 N THR A 66 6.842 10.078 2.133 1.00 0.00 N ATOM 1024 CA THR A 66 6.500 8.892 1.373 1.00 0.00 C ATOM 1025 C THR A 66 7.726 7.986 1.209 1.00 0.00 C ATOM 1026 O THR A 66 7.733 7.069 0.390 1.00 0.00 O ATOM 1027 CB THR A 66 5.924 9.244 -0.013 1.00 0.00 C ATOM 1028 OG1 THR A 66 6.838 10.083 -0.731 1.00 0.00 O ATOM 1029 CG2 THR A 66 4.578 9.944 0.112 1.00 0.00 C ATOM 0 H THR A 66 6.986 10.920 1.576 1.00 0.00 H new ATOM 0 HA THR A 66 5.730 8.362 1.933 1.00 0.00 H new ATOM 0 HB THR A 66 5.779 8.313 -0.561 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.985 10.912 -0.229 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.197 10.180 -0.882 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.874 9.289 0.625 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.698 10.865 0.682 1.00 0.00 H new ATOM 1037 N ASN A 67 8.762 8.256 1.997 1.00 0.00 N ATOM 1038 CA ASN A 67 9.991 7.478 1.963 1.00 0.00 C ATOM 1039 C ASN A 67 9.861 6.281 2.892 1.00 0.00 C ATOM 1040 O ASN A 67 9.661 6.451 4.091 1.00 0.00 O ATOM 1041 CB ASN A 67 11.166 8.352 2.411 1.00 0.00 C ATOM 1042 CG ASN A 67 12.516 7.693 2.256 1.00 0.00 C ATOM 1043 OD1 ASN A 67 12.631 6.475 2.161 1.00 0.00 O ATOM 1044 ND2 ASN A 67 13.553 8.502 2.282 1.00 0.00 N ATOM 0 H ASN A 67 8.771 9.018 2.675 1.00 0.00 H new ATOM 0 HA ASN A 67 10.170 7.129 0.946 1.00 0.00 H new ATOM 0 HB2 ASN A 67 11.157 9.278 1.836 1.00 0.00 H new ATOM 0 HB3 ASN A 67 11.024 8.625 3.457 1.00 0.00 H new ATOM 0 HD21 ASN A 67 14.498 8.122 2.222 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.412 9.509 2.362 1.00 0.00 H new ATOM 1051 N PRO A 68 9.979 5.053 2.365 1.00 0.00 N ATOM 1052 CA PRO A 68 9.838 3.828 3.165 1.00 0.00 C ATOM 1053 C PRO A 68 10.930 3.672 4.218 1.00 0.00 C ATOM 1054 O PRO A 68 10.948 2.701 4.972 1.00 0.00 O ATOM 1055 CB PRO A 68 9.916 2.695 2.130 1.00 0.00 C ATOM 1056 CG PRO A 68 9.725 3.354 0.803 1.00 0.00 C ATOM 1057 CD PRO A 68 10.252 4.750 0.952 1.00 0.00 C ATOM 0 HA PRO A 68 8.908 3.835 3.733 1.00 0.00 H new ATOM 0 HB2 PRO A 68 10.877 2.183 2.180 1.00 0.00 H new ATOM 0 HB3 PRO A 68 9.146 1.945 2.310 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.261 2.817 0.020 1.00 0.00 H new ATOM 0 HG3 PRO A 68 8.672 3.363 0.520 1.00 0.00 H new ATOM 0 HD2 PRO A 68 11.317 4.807 0.725 1.00 0.00 H new ATOM 0 HD3 PRO A 68 9.746 5.447 0.284 1.00 0.00 H new ATOM 1065 N ARG A 69 11.826 4.637 4.267 1.00 0.00 N ATOM 1066 CA ARG A 69 12.889 4.646 5.248 1.00 0.00 C ATOM 1067 C ARG A 69 12.426 5.273 6.554 1.00 0.00 C ATOM 1068 O ARG A 69 12.524 4.659 7.617 1.00 0.00 O ATOM 1069 CB ARG A 69 14.074 5.422 4.699 1.00 0.00 C ATOM 1070 CG ARG A 69 14.782 4.716 3.560 1.00 0.00 C ATOM 1071 CD ARG A 69 15.332 3.375 4.008 1.00 0.00 C ATOM 1072 NE ARG A 69 16.310 3.522 5.085 1.00 0.00 N ATOM 1073 CZ ARG A 69 17.092 2.534 5.514 1.00 0.00 C ATOM 1074 NH1 ARG A 69 16.906 1.298 5.070 1.00 0.00 N ATOM 1075 NH2 ARG A 69 18.028 2.777 6.419 1.00 0.00 N ATOM 0 H ARG A 69 11.837 5.434 3.630 1.00 0.00 H new ATOM 0 HA ARG A 69 13.180 3.616 5.451 1.00 0.00 H new ATOM 0 HB2 ARG A 69 13.731 6.398 4.355 1.00 0.00 H new ATOM 0 HB3 ARG A 69 14.786 5.600 5.505 1.00 0.00 H new ATOM 0 HG2 ARG A 69 14.089 4.570 2.731 1.00 0.00 H new ATOM 0 HG3 ARG A 69 15.595 5.341 3.190 1.00 0.00 H new ATOM 0 HD2 ARG A 69 14.513 2.740 4.345 1.00 0.00 H new ATOM 0 HD3 ARG A 69 15.797 2.871 3.161 1.00 0.00 H new ATOM 0 HE ARG A 69 16.398 4.434 5.533 1.00 0.00 H new ATOM 0 HH11 ARG A 69 16.163 1.104 4.399 1.00 0.00 H new ATOM 0 HH12 ARG A 69 17.506 0.542 5.400 1.00 0.00 H new ATOM 0 HH21 ARG A 69 18.149 3.721 6.787 1.00 0.00 H new ATOM 0 HH22 ARG A 69 18.628 2.020 6.748 1.00 0.00 H new ATOM 1089 N LYS A 70 11.923 6.492 6.468 1.00 0.00 N ATOM 1090 CA LYS A 70 11.559 7.248 7.649 1.00 0.00 C ATOM 1091 C LYS A 70 10.081 7.609 7.632 1.00 0.00 C ATOM 1092 O LYS A 70 9.440 7.642 6.576 1.00 0.00 O ATOM 1093 CB LYS A 70 12.399 8.514 7.695 1.00 0.00 C ATOM 1094 CG LYS A 70 12.011 9.514 6.623 1.00 0.00 C ATOM 1095 CD LYS A 70 13.212 10.278 6.128 1.00 0.00 C ATOM 1096 CE LYS A 70 13.821 11.146 7.222 1.00 0.00 C ATOM 1097 NZ LYS A 70 14.958 11.956 6.718 1.00 0.00 N ATOM 0 H LYS A 70 11.758 6.979 5.587 1.00 0.00 H new ATOM 0 HA LYS A 70 11.745 6.639 8.534 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.294 8.979 8.675 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.450 8.252 7.578 1.00 0.00 H new ATOM 0 HG2 LYS A 70 11.540 8.993 5.790 1.00 0.00 H new ATOM 0 HG3 LYS A 70 11.273 10.210 7.022 1.00 0.00 H new ATOM 0 HD2 LYS A 70 13.962 9.578 5.760 1.00 0.00 H new ATOM 0 HD3 LYS A 70 12.922 10.906 5.286 1.00 0.00 H new ATOM 0 HE2 LYS A 70 13.056 11.808 7.628 1.00 0.00 H new ATOM 0 HE3 LYS A 70 14.162 10.512 8.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 15.344 12.532 7.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 15.699 11.324 6.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 14.628 12.580 5.954 1.00 0.00 H new ATOM 1111 N LEU A 71 9.564 7.923 8.804 1.00 0.00 N ATOM 1112 CA LEU A 71 8.151 8.211 8.966 1.00 0.00 C ATOM 1113 C LEU A 71 7.877 9.680 8.710 1.00 0.00 C ATOM 1114 O LEU A 71 6.962 10.027 7.965 1.00 0.00 O ATOM 1115 CB LEU A 71 7.694 7.820 10.377 1.00 0.00 C ATOM 1116 CG LEU A 71 6.218 8.080 10.696 1.00 0.00 C ATOM 1117 CD1 LEU A 71 5.318 7.185 9.861 1.00 0.00 C ATOM 1118 CD2 LEU A 71 5.949 7.871 12.178 1.00 0.00 C ATOM 0 H LEU A 71 10.107 7.986 9.665 1.00 0.00 H new ATOM 0 HA LEU A 71 7.588 7.625 8.239 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.896 6.759 10.523 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.303 8.363 11.099 1.00 0.00 H new ATOM 0 HG LEU A 71 5.994 9.117 10.445 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.275 7.388 10.105 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.488 7.384 8.803 1.00 0.00 H new ATOM 0 HD13 LEU A 71 5.544 6.140 10.075 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.896 8.060 12.387 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.195 6.845 12.451 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.563 8.558 12.760 1.00 0.00 H new ATOM 1130 N TYR A 72 8.689 10.543 9.298 1.00 0.00 N ATOM 1131 CA TYR A 72 8.485 11.970 9.161 1.00 0.00 C ATOM 1132 C TYR A 72 9.820 12.693 9.088 1.00 0.00 C ATOM 1133 O TYR A 72 10.865 12.131 9.421 1.00 0.00 O ATOM 1134 CB TYR A 72 7.644 12.519 10.325 1.00 0.00 C ATOM 1135 CG TYR A 72 8.396 12.673 11.630 1.00 0.00 C ATOM 1136 CD1 TYR A 72 8.453 11.638 12.555 1.00 0.00 C ATOM 1137 CD2 TYR A 72 9.043 13.864 11.938 1.00 0.00 C ATOM 1138 CE1 TYR A 72 9.138 11.784 13.747 1.00 0.00 C ATOM 1139 CE2 TYR A 72 9.729 14.017 13.124 1.00 0.00 C ATOM 1140 CZ TYR A 72 9.772 12.978 14.026 1.00 0.00 C ATOM 1141 OH TYR A 72 10.461 13.131 15.209 1.00 0.00 O ATOM 0 H TYR A 72 9.491 10.279 9.871 1.00 0.00 H new ATOM 0 HA TYR A 72 7.940 12.146 8.234 1.00 0.00 H new ATOM 0 HB2 TYR A 72 7.240 13.490 10.037 1.00 0.00 H new ATOM 0 HB3 TYR A 72 6.795 11.855 10.487 1.00 0.00 H new ATOM 0 HD1 TYR A 72 7.954 10.705 12.340 1.00 0.00 H new ATOM 0 HD2 TYR A 72 9.008 14.684 11.236 1.00 0.00 H new ATOM 0 HE1 TYR A 72 9.177 10.969 14.455 1.00 0.00 H new ATOM 0 HE2 TYR A 72 10.230 14.948 13.344 1.00 0.00 H new ATOM 0 HH TYR A 72 10.849 14.030 15.248 1.00 0.00 H new ATOM 1151 N ASP A 73 9.764 13.933 8.643 1.00 0.00 N ATOM 1152 CA ASP A 73 10.944 14.786 8.527 1.00 0.00 C ATOM 1153 C ASP A 73 10.491 16.239 8.462 1.00 0.00 C ATOM 1154 O ASP A 73 9.299 16.500 8.386 1.00 0.00 O ATOM 1155 CB ASP A 73 11.744 14.406 7.273 1.00 0.00 C ATOM 1156 CG ASP A 73 13.049 15.166 7.125 1.00 0.00 C ATOM 1157 OD1 ASP A 73 13.650 15.538 8.156 1.00 0.00 O ATOM 1158 OD2 ASP A 73 13.495 15.364 5.975 1.00 0.00 O ATOM 0 H ASP A 73 8.898 14.385 8.349 1.00 0.00 H new ATOM 0 HA ASP A 73 11.592 14.650 9.393 1.00 0.00 H new ATOM 0 HB2 ASP A 73 11.958 13.338 7.300 1.00 0.00 H new ATOM 0 HB3 ASP A 73 11.128 14.586 6.392 1.00 0.00 H new ATOM 1163 N TYR A 74 11.424 17.171 8.486 1.00 0.00 N ATOM 1164 CA TYR A 74 11.086 18.588 8.442 1.00 0.00 C ATOM 1165 C TYR A 74 11.103 19.067 7.005 1.00 0.00 C ATOM 1166 O TYR A 74 11.762 18.468 6.165 1.00 0.00 O ATOM 1167 CB TYR A 74 12.080 19.414 9.261 1.00 0.00 C ATOM 1168 CG TYR A 74 12.015 19.166 10.756 1.00 0.00 C ATOM 1169 CD1 TYR A 74 12.620 18.047 11.315 1.00 0.00 C ATOM 1170 CD2 TYR A 74 11.359 20.050 11.613 1.00 0.00 C ATOM 1171 CE1 TYR A 74 12.574 17.813 12.673 1.00 0.00 C ATOM 1172 CE2 TYR A 74 11.316 19.821 12.974 1.00 0.00 C ATOM 1173 CZ TYR A 74 11.925 18.701 13.499 1.00 0.00 C ATOM 1174 OH TYR A 74 11.891 18.471 14.859 1.00 0.00 O ATOM 0 H TYR A 74 12.424 16.976 8.536 1.00 0.00 H new ATOM 0 HA TYR A 74 10.091 18.717 8.869 1.00 0.00 H new ATOM 0 HB2 TYR A 74 13.089 19.197 8.912 1.00 0.00 H new ATOM 0 HB3 TYR A 74 11.898 20.472 9.072 1.00 0.00 H new ATOM 0 HD1 TYR A 74 13.136 17.348 10.674 1.00 0.00 H new ATOM 0 HD2 TYR A 74 10.877 20.927 11.206 1.00 0.00 H new ATOM 0 HE1 TYR A 74 13.046 16.935 13.087 1.00 0.00 H new ATOM 0 HE2 TYR A 74 10.807 20.517 13.625 1.00 0.00 H new ATOM 0 HH TYR A 74 11.061 18.835 15.232 1.00 0.00 H new ATOM 1184 N CYS A 75 10.379 20.137 6.727 1.00 0.00 N ATOM 1185 CA CYS A 75 10.310 20.678 5.377 1.00 0.00 C ATOM 1186 C CYS A 75 11.136 21.947 5.252 1.00 0.00 C ATOM 1187 O CYS A 75 11.587 22.512 6.249 1.00 0.00 O ATOM 1188 CB CYS A 75 8.868 20.983 4.996 1.00 0.00 C ATOM 1189 SG CYS A 75 7.794 19.529 4.928 1.00 0.00 S ATOM 0 H CYS A 75 9.830 20.650 7.417 1.00 0.00 H new ATOM 0 HA CYS A 75 10.714 19.924 4.702 1.00 0.00 H new ATOM 0 HB2 CYS A 75 8.456 21.691 5.715 1.00 0.00 H new ATOM 0 HB3 CYS A 75 8.857 21.474 4.023 1.00 0.00 H new ATOM 1194 N ASP A 76 11.301 22.405 4.023 1.00 0.00 N ATOM 1195 CA ASP A 76 12.086 23.598 3.749 1.00 0.00 C ATOM 1196 C ASP A 76 11.194 24.704 3.198 1.00 0.00 C ATOM 1197 O ASP A 76 11.194 24.981 1.998 1.00 0.00 O ATOM 1198 CB ASP A 76 13.213 23.288 2.758 1.00 0.00 C ATOM 1199 CG ASP A 76 14.186 24.444 2.595 1.00 0.00 C ATOM 1200 OD1 ASP A 76 15.123 24.551 3.411 1.00 0.00 O ATOM 1201 OD2 ASP A 76 14.031 25.243 1.646 1.00 0.00 O ATOM 0 H ASP A 76 10.900 21.966 3.194 1.00 0.00 H new ATOM 0 HA ASP A 76 12.531 23.937 4.685 1.00 0.00 H new ATOM 0 HB2 ASP A 76 13.757 22.406 3.097 1.00 0.00 H new ATOM 0 HB3 ASP A 76 12.781 23.043 1.788 1.00 0.00 H new ATOM 1206 N VAL A 77 10.394 25.301 4.067 1.00 0.00 N ATOM 1207 CA VAL A 77 9.605 26.453 3.681 1.00 0.00 C ATOM 1208 C VAL A 77 10.058 27.704 4.431 1.00 0.00 C ATOM 1209 O VAL A 77 10.185 27.709 5.655 1.00 0.00 O ATOM 1210 CB VAL A 77 8.097 26.213 3.885 1.00 0.00 C ATOM 1211 CG1 VAL A 77 7.792 25.711 5.274 1.00 0.00 C ATOM 1212 CG2 VAL A 77 7.303 27.466 3.578 1.00 0.00 C ATOM 0 H VAL A 77 10.276 25.008 5.037 1.00 0.00 H new ATOM 0 HA VAL A 77 9.770 26.611 2.615 1.00 0.00 H new ATOM 0 HB VAL A 77 7.795 25.435 3.184 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.718 25.554 5.377 1.00 0.00 H new ATOM 0 HG12 VAL A 77 8.314 24.769 5.443 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.123 26.446 6.007 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.241 27.270 3.730 1.00 0.00 H new ATOM 0 HG22 VAL A 77 7.622 28.270 4.241 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.473 27.760 2.542 1.00 0.00 H new ATOM 1222 N PRO A 78 10.330 28.767 3.667 1.00 0.00 N ATOM 1223 CA PRO A 78 10.816 30.057 4.178 1.00 0.00 C ATOM 1224 C PRO A 78 9.910 30.699 5.203 1.00 0.00 C ATOM 1225 O PRO A 78 8.715 30.408 5.293 1.00 0.00 O ATOM 1226 CB PRO A 78 10.874 30.940 2.921 1.00 0.00 C ATOM 1227 CG PRO A 78 10.034 30.231 1.906 1.00 0.00 C ATOM 1228 CD PRO A 78 10.203 28.783 2.205 1.00 0.00 C ATOM 0 HA PRO A 78 11.766 29.927 4.696 1.00 0.00 H new ATOM 0 HB2 PRO A 78 10.488 31.939 3.123 1.00 0.00 H new ATOM 0 HB3 PRO A 78 11.899 31.059 2.570 1.00 0.00 H new ATOM 0 HG2 PRO A 78 8.988 30.530 1.982 1.00 0.00 H new ATOM 0 HG3 PRO A 78 10.360 30.465 0.892 1.00 0.00 H new ATOM 0 HD2 PRO A 78 9.348 28.197 1.867 1.00 0.00 H new ATOM 0 HD3 PRO A 78 11.086 28.369 1.717 1.00 0.00 H new ATOM 1236 N GLN A 79 10.509 31.586 5.973 1.00 0.00 N ATOM 1237 CA GLN A 79 9.802 32.327 6.979 1.00 0.00 C ATOM 1238 C GLN A 79 8.951 33.414 6.339 1.00 0.00 C ATOM 1239 O GLN A 79 9.466 34.377 5.773 1.00 0.00 O ATOM 1240 CB GLN A 79 10.784 32.931 7.977 1.00 0.00 C ATOM 1241 CG GLN A 79 10.096 33.713 9.062 1.00 0.00 C ATOM 1242 CD GLN A 79 9.130 32.853 9.836 1.00 0.00 C ATOM 1243 OE1 GLN A 79 8.079 33.327 10.240 1.00 0.00 O ATOM 1244 NE2 GLN A 79 9.475 31.579 10.028 1.00 0.00 N ATOM 0 H GLN A 79 11.503 31.808 5.912 1.00 0.00 H new ATOM 0 HA GLN A 79 9.140 31.646 7.514 1.00 0.00 H new ATOM 0 HB2 GLN A 79 11.375 32.134 8.428 1.00 0.00 H new ATOM 0 HB3 GLN A 79 11.479 33.584 7.448 1.00 0.00 H new ATOM 0 HG2 GLN A 79 10.841 34.127 9.742 1.00 0.00 H new ATOM 0 HG3 GLN A 79 9.563 34.556 8.622 1.00 0.00 H new ATOM 0 HE21 GLN A 79 10.365 31.232 9.670 1.00 0.00 H new ATOM 0 HE22 GLN A 79 8.849 30.952 10.533 1.00 0.00 H new ATOM 1253 N CYS A 80 7.649 33.229 6.422 1.00 0.00 N ATOM 1254 CA CYS A 80 6.687 34.180 5.905 1.00 0.00 C ATOM 1255 C CYS A 80 6.611 35.373 6.840 1.00 0.00 C ATOM 1256 O CYS A 80 6.559 36.524 6.407 1.00 0.00 O ATOM 1257 CB CYS A 80 5.316 33.517 5.796 1.00 0.00 C ATOM 1258 SG CYS A 80 4.371 33.952 4.302 1.00 0.00 S ATOM 0 H CYS A 80 7.226 32.408 6.854 1.00 0.00 H new ATOM 0 HA CYS A 80 6.998 34.515 4.915 1.00 0.00 H new ATOM 0 HB2 CYS A 80 5.448 32.435 5.822 1.00 0.00 H new ATOM 0 HB3 CYS A 80 4.727 33.787 6.672 1.00 0.00 H new ATOM 1263 N ALA A 81 6.624 35.082 8.137 1.00 0.00 N ATOM 1264 CA ALA A 81 6.572 36.124 9.160 1.00 0.00 C ATOM 1265 C ALA A 81 7.965 36.667 9.456 1.00 0.00 C ATOM 1266 O ALA A 81 8.380 36.759 10.612 1.00 0.00 O ATOM 1267 CB ALA A 81 5.931 35.594 10.433 1.00 0.00 C ATOM 0 H ALA A 81 6.670 34.132 8.506 1.00 0.00 H new ATOM 0 HA ALA A 81 5.961 36.941 8.776 1.00 0.00 H new ATOM 0 HB1 ALA A 81 5.902 36.385 11.182 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.916 35.260 10.218 1.00 0.00 H new ATOM 0 HB3 ALA A 81 6.515 34.756 10.813 1.00 0.00 H new ATOM 1273 N ALA A 82 8.686 37.017 8.406 1.00 0.00 N ATOM 1274 CA ALA A 82 10.010 37.588 8.547 1.00 0.00 C ATOM 1275 C ALA A 82 9.950 39.076 8.258 1.00 0.00 C ATOM 1276 O ALA A 82 9.784 39.862 9.212 1.00 0.00 O ATOM 1277 CB ALA A 82 10.996 36.897 7.615 1.00 0.00 C ATOM 1278 OXT ALA A 82 10.029 39.450 7.069 1.00 0.00 O ATOM 0 H ALA A 82 8.373 36.914 7.441 1.00 0.00 H new ATOM 0 HA ALA A 82 10.357 37.437 9.569 1.00 0.00 H new ATOM 0 HB1 ALA A 82 11.984 37.341 7.737 1.00 0.00 H new ATOM 0 HB2 ALA A 82 11.043 35.835 7.857 1.00 0.00 H new ATOM 0 HB3 ALA A 82 10.668 37.019 6.583 1.00 0.00 H new TER 1284 ALA A 82