USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 408 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 38 GLN : amide:sc= 0.305 K(o=0.57,f=-0.59) USER MOD Set 1.2: A 41 ASN : amide:sc= 0.264 K(o=0.57,f=-0.59) USER MOD Set 2.1: A 24 GLN : amide:sc= 1.21 K(o=2.4,f=-6.8!) USER MOD Set 2.2: A 53 GLN : amide:sc= 1.22 K(o=2.4,f=-5.7!) USER MOD Set 3.1: A 19 ASN : amide:sc= -0.666 K(o=-0.17,f=0.47) USER MOD Set 3.2: A 50 ASN : amide:sc= 0.491 K(o=-0.17,f=-3.4!) USER MOD Set 4.1: A 1 ALA N :NH3+ -167:sc= 0.732 (180deg=0) USER MOD Set 4.2: A 3 HIS : no HE2:sc= 1.29 K(o=2,f=-3.1!) USER MOD Single : A 2 GLN : amide:sc= -0.225 X(o=-0.23,f=-0.23) USER MOD Single : A 7 GLN : amide:sc= -0.354 K(o=-0.35,f=-2.4!) USER MOD Single : A 8 GLN : amide:sc= 0.487 K(o=0.49,f=-6!) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=-0.05) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0.216 X(o=0.22,f=0) USER MOD Single : A 16 ASN : amide:sc= 0.454 X(o=0.45,f=0.54) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0.0919 K(o=0.092,f=-6.5!) USER MOD Single : A 26 ASN : amide:sc= 0.88 K(o=0.88,f=0) USER MOD Single : A 30 GLN : amide:sc= -0.212 X(o=-0.21,f=-0.21) USER MOD Single : A 31 SER OG : rot 76:sc= 0.814 USER MOD Single : A 33 LYS NZ :NH3+ -157:sc= 0.363 (180deg=0.0973) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0.342 X(o=0.34,f=-0.11) USER MOD Single : A 48 LYS NZ :NH3+ -143:sc= -0.128 (180deg=-1.01) USER MOD Single : A 52 SER OG : rot -30:sc= 0.773 USER MOD Single : A 56 LYS NZ :NH3+ -121:sc= 0.164 (180deg=-0.284) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -14.131 19.939 -9.607 1.00 0.00 N ATOM 2 CA ALA A 1 -14.534 21.117 -8.818 1.00 0.00 C ATOM 3 C ALA A 1 -13.553 21.392 -7.675 1.00 0.00 C ATOM 4 O ALA A 1 -13.935 21.370 -6.507 1.00 0.00 O ATOM 5 CB ALA A 1 -15.972 20.954 -8.313 1.00 0.00 C ATOM 0 H1 ALA A 1 -14.679 19.909 -10.490 1.00 0.00 H new ATOM 0 H2 ALA A 1 -13.117 20.001 -9.830 1.00 0.00 H new ATOM 0 H3 ALA A 1 -14.312 19.075 -9.058 1.00 0.00 H new ATOM 0 HA ALA A 1 -14.505 21.991 -9.469 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -16.255 21.832 -7.732 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -16.646 20.848 -9.163 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -16.038 20.066 -7.684 1.00 0.00 H new ATOM 13 N GLN A 2 -12.289 21.659 -8.035 1.00 0.00 N ATOM 14 CA GLN A 2 -11.204 22.018 -7.128 1.00 0.00 C ATOM 15 C GLN A 2 -11.082 21.017 -5.975 1.00 0.00 C ATOM 16 O GLN A 2 -11.475 21.302 -4.845 1.00 0.00 O ATOM 17 CB GLN A 2 -11.368 23.478 -6.667 1.00 0.00 C ATOM 18 CG GLN A 2 -10.224 23.995 -5.779 1.00 0.00 C ATOM 19 CD GLN A 2 -8.848 23.776 -6.404 1.00 0.00 C ATOM 20 OE1 GLN A 2 -8.414 24.558 -7.245 1.00 0.00 O ATOM 21 NE2 GLN A 2 -8.156 22.710 -5.994 1.00 0.00 N ATOM 0 H GLN A 2 -11.989 21.628 -9.009 1.00 0.00 H new ATOM 0 HA GLN A 2 -10.254 21.958 -7.659 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -11.447 24.117 -7.546 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -12.306 23.571 -6.120 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -10.368 25.059 -5.591 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -10.264 23.492 -4.813 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -8.552 22.084 -5.293 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -7.232 22.522 -6.382 1.00 0.00 H new ATOM 30 N HIS A 3 -10.527 19.839 -6.273 1.00 0.00 N ATOM 31 CA HIS A 3 -10.339 18.767 -5.308 1.00 0.00 C ATOM 32 C HIS A 3 -9.251 17.813 -5.806 1.00 0.00 C ATOM 33 O HIS A 3 -9.211 17.470 -6.987 1.00 0.00 O ATOM 34 CB HIS A 3 -11.674 18.056 -5.029 1.00 0.00 C ATOM 35 CG HIS A 3 -12.517 17.756 -6.247 1.00 0.00 C ATOM 36 ND1 HIS A 3 -11.992 17.237 -7.420 1.00 0.00 N ATOM 37 CD2 HIS A 3 -13.861 17.904 -6.493 1.00 0.00 C ATOM 38 CE1 HIS A 3 -13.009 17.066 -8.278 1.00 0.00 C ATOM 39 NE2 HIS A 3 -14.178 17.468 -7.777 1.00 0.00 N ATOM 0 H HIS A 3 -10.192 19.606 -7.208 1.00 0.00 H new ATOM 0 HA HIS A 3 -10.002 19.178 -4.356 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -11.466 17.119 -4.513 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -12.259 18.673 -4.347 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -11.011 17.024 -7.598 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -14.574 18.304 -5.787 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -12.894 16.648 -9.267 1.00 0.00 H new ATOM 47 N ASP A 4 -8.357 17.403 -4.900 1.00 0.00 N ATOM 48 CA ASP A 4 -7.200 16.579 -5.216 1.00 0.00 C ATOM 49 C ASP A 4 -7.592 15.103 -5.182 1.00 0.00 C ATOM 50 O ASP A 4 -7.267 14.397 -4.230 1.00 0.00 O ATOM 51 CB ASP A 4 -6.062 16.890 -4.233 1.00 0.00 C ATOM 52 CG ASP A 4 -5.602 18.341 -4.352 1.00 0.00 C ATOM 53 OD1 ASP A 4 -4.730 18.592 -5.212 1.00 0.00 O ATOM 54 OD2 ASP A 4 -6.134 19.172 -3.585 1.00 0.00 O ATOM 0 H ASP A 4 -8.424 17.642 -3.911 1.00 0.00 H new ATOM 0 HA ASP A 4 -6.845 16.805 -6.221 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -6.396 16.695 -3.214 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -5.221 16.224 -4.425 1.00 0.00 H new ATOM 59 N GLU A 5 -8.282 14.645 -6.234 1.00 0.00 N ATOM 60 CA GLU A 5 -8.744 13.267 -6.378 1.00 0.00 C ATOM 61 C GLU A 5 -7.606 12.257 -6.215 1.00 0.00 C ATOM 62 O GLU A 5 -7.814 11.177 -5.662 1.00 0.00 O ATOM 63 CB GLU A 5 -9.454 13.077 -7.726 1.00 0.00 C ATOM 64 CG GLU A 5 -10.653 14.016 -7.912 1.00 0.00 C ATOM 65 CD GLU A 5 -11.674 13.880 -6.783 1.00 0.00 C ATOM 66 OE1 GLU A 5 -12.532 12.979 -6.898 1.00 0.00 O ATOM 67 OE2 GLU A 5 -11.575 14.675 -5.823 1.00 0.00 O ATOM 0 H GLU A 5 -8.538 15.238 -7.023 1.00 0.00 H new ATOM 0 HA GLU A 5 -9.457 13.076 -5.576 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -8.740 13.245 -8.533 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -9.792 12.044 -7.809 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -10.301 15.047 -7.959 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -11.137 13.800 -8.865 1.00 0.00 H new ATOM 74 N ALA A 6 -6.408 12.626 -6.685 1.00 0.00 N ATOM 75 CA ALA A 6 -5.182 11.857 -6.546 1.00 0.00 C ATOM 76 C ALA A 6 -4.944 11.377 -5.110 1.00 0.00 C ATOM 77 O ALA A 6 -4.441 10.273 -4.918 1.00 0.00 O ATOM 78 CB ALA A 6 -4.002 12.709 -7.021 1.00 0.00 C ATOM 0 H ALA A 6 -6.269 13.501 -7.190 1.00 0.00 H new ATOM 0 HA ALA A 6 -5.278 10.962 -7.161 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -3.078 12.140 -6.920 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -4.148 12.982 -8.066 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -3.939 13.613 -6.415 1.00 0.00 H new ATOM 84 N GLN A 7 -5.291 12.195 -4.107 1.00 0.00 N ATOM 85 CA GLN A 7 -5.003 11.900 -2.712 1.00 0.00 C ATOM 86 C GLN A 7 -5.757 10.657 -2.235 1.00 0.00 C ATOM 87 O GLN A 7 -5.133 9.720 -1.739 1.00 0.00 O ATOM 88 CB GLN A 7 -5.319 13.127 -1.844 1.00 0.00 C ATOM 89 CG GLN A 7 -4.961 12.925 -0.364 1.00 0.00 C ATOM 90 CD GLN A 7 -3.465 12.699 -0.147 1.00 0.00 C ATOM 91 OE1 GLN A 7 -2.730 13.646 0.120 1.00 0.00 O ATOM 92 NE2 GLN A 7 -3.009 11.450 -0.254 1.00 0.00 N ATOM 0 H GLN A 7 -5.780 13.079 -4.249 1.00 0.00 H new ATOM 0 HA GLN A 7 -3.941 11.676 -2.615 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -4.773 13.988 -2.230 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -6.381 13.360 -1.927 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -5.279 13.798 0.205 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -5.514 12.071 0.027 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -3.651 10.690 -0.477 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -2.018 11.255 -0.112 1.00 0.00 H new ATOM 101 N GLN A 8 -7.089 10.646 -2.380 1.00 0.00 N ATOM 102 CA GLN A 8 -7.901 9.499 -1.996 1.00 0.00 C ATOM 103 C GLN A 8 -7.663 8.312 -2.931 1.00 0.00 C ATOM 104 O GLN A 8 -7.701 7.170 -2.481 1.00 0.00 O ATOM 105 CB GLN A 8 -9.389 9.851 -1.837 1.00 0.00 C ATOM 106 CG GLN A 8 -10.114 10.360 -3.092 1.00 0.00 C ATOM 107 CD GLN A 8 -10.111 11.884 -3.216 1.00 0.00 C ATOM 108 OE1 GLN A 8 -9.139 12.546 -2.864 1.00 0.00 O ATOM 109 NE2 GLN A 8 -11.210 12.448 -3.722 1.00 0.00 N ATOM 0 H GLN A 8 -7.623 11.426 -2.763 1.00 0.00 H new ATOM 0 HA GLN A 8 -7.573 9.190 -1.004 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -9.912 8.965 -1.477 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -9.478 10.611 -1.061 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -9.642 9.930 -3.975 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.145 10.006 -3.077 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -11.999 11.866 -4.004 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -11.261 13.461 -3.827 1.00 0.00 H new ATOM 118 N ASN A 9 -7.397 8.575 -4.218 1.00 0.00 N ATOM 119 CA ASN A 9 -7.055 7.543 -5.187 1.00 0.00 C ATOM 120 C ASN A 9 -5.781 6.800 -4.773 1.00 0.00 C ATOM 121 O ASN A 9 -5.691 5.588 -4.955 1.00 0.00 O ATOM 122 CB ASN A 9 -6.910 8.173 -6.577 1.00 0.00 C ATOM 123 CG ASN A 9 -6.485 7.160 -7.638 1.00 0.00 C ATOM 124 OD1 ASN A 9 -5.455 7.336 -8.285 1.00 0.00 O ATOM 125 ND2 ASN A 9 -7.271 6.099 -7.825 1.00 0.00 N ATOM 0 H ASN A 9 -7.415 9.516 -4.611 1.00 0.00 H new ATOM 0 HA ASN A 9 -7.858 6.806 -5.221 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -7.859 8.623 -6.869 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -6.176 8.977 -6.533 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -7.025 5.399 -8.525 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -8.118 5.988 -7.268 1.00 0.00 H new ATOM 132 N ALA A 10 -4.797 7.515 -4.213 1.00 0.00 N ATOM 133 CA ALA A 10 -3.561 6.920 -3.726 1.00 0.00 C ATOM 134 C ALA A 10 -3.847 5.912 -2.609 1.00 0.00 C ATOM 135 O ALA A 10 -3.363 4.782 -2.661 1.00 0.00 O ATOM 136 CB ALA A 10 -2.593 8.017 -3.281 1.00 0.00 C ATOM 0 H ALA A 10 -4.843 8.526 -4.088 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.085 6.367 -4.536 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.671 7.563 -2.918 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.369 8.669 -4.125 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.048 8.602 -2.482 1.00 0.00 H new ATOM 142 N PHE A 11 -4.650 6.308 -1.611 1.00 0.00 N ATOM 143 CA PHE A 11 -5.067 5.411 -0.540 1.00 0.00 C ATOM 144 C PHE A 11 -5.807 4.200 -1.118 1.00 0.00 C ATOM 145 O PHE A 11 -5.520 3.063 -0.751 1.00 0.00 O ATOM 146 CB PHE A 11 -5.969 6.136 0.471 1.00 0.00 C ATOM 147 CG PHE A 11 -5.485 7.470 1.015 1.00 0.00 C ATOM 148 CD1 PHE A 11 -4.121 7.709 1.270 1.00 0.00 C ATOM 149 CD2 PHE A 11 -6.433 8.463 1.332 1.00 0.00 C ATOM 150 CE1 PHE A 11 -3.707 8.957 1.769 1.00 0.00 C ATOM 151 CE2 PHE A 11 -6.016 9.717 1.807 1.00 0.00 C ATOM 152 CZ PHE A 11 -4.652 9.966 2.020 1.00 0.00 C ATOM 0 H PHE A 11 -5.023 7.254 -1.529 1.00 0.00 H new ATOM 0 HA PHE A 11 -4.171 5.072 -0.021 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -6.939 6.297 0.001 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -6.131 5.467 1.316 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -3.393 6.934 1.082 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -7.486 8.259 1.209 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -2.660 9.140 1.960 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -6.744 10.489 2.008 1.00 0.00 H new ATOM 0 HZ PHE A 11 -4.328 10.933 2.377 1.00 0.00 H new ATOM 162 N TYR A 12 -6.761 4.458 -2.022 1.00 0.00 N ATOM 163 CA TYR A 12 -7.615 3.449 -2.627 1.00 0.00 C ATOM 164 C TYR A 12 -6.800 2.376 -3.350 1.00 0.00 C ATOM 165 O TYR A 12 -7.098 1.196 -3.208 1.00 0.00 O ATOM 166 CB TYR A 12 -8.624 4.121 -3.564 1.00 0.00 C ATOM 167 CG TYR A 12 -9.610 3.174 -4.222 1.00 0.00 C ATOM 168 CD1 TYR A 12 -10.465 2.384 -3.431 1.00 0.00 C ATOM 169 CD2 TYR A 12 -9.703 3.111 -5.626 1.00 0.00 C ATOM 170 CE1 TYR A 12 -11.391 1.520 -4.038 1.00 0.00 C ATOM 171 CE2 TYR A 12 -10.637 2.254 -6.233 1.00 0.00 C ATOM 172 CZ TYR A 12 -11.474 1.450 -5.439 1.00 0.00 C ATOM 173 OH TYR A 12 -12.368 0.603 -6.025 1.00 0.00 O ATOM 0 H TYR A 12 -6.959 5.401 -2.356 1.00 0.00 H new ATOM 0 HA TYR A 12 -8.163 2.938 -1.835 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -9.181 4.868 -2.999 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -8.077 4.652 -4.343 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -10.409 2.442 -2.354 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -9.055 3.722 -6.237 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -12.040 0.909 -3.428 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -10.712 2.213 -7.310 1.00 0.00 H new ATOM 0 HH TYR A 12 -12.298 0.677 -7.000 1.00 0.00 H new ATOM 183 N GLN A 13 -5.771 2.770 -4.109 1.00 0.00 N ATOM 184 CA GLN A 13 -4.869 1.834 -4.771 1.00 0.00 C ATOM 185 C GLN A 13 -4.228 0.876 -3.763 1.00 0.00 C ATOM 186 O GLN A 13 -4.218 -0.331 -3.994 1.00 0.00 O ATOM 187 CB GLN A 13 -3.807 2.605 -5.560 1.00 0.00 C ATOM 188 CG GLN A 13 -4.395 3.165 -6.859 1.00 0.00 C ATOM 189 CD GLN A 13 -3.437 4.159 -7.506 1.00 0.00 C ATOM 190 OE1 GLN A 13 -2.680 3.807 -8.408 1.00 0.00 O ATOM 191 NE2 GLN A 13 -3.471 5.408 -7.042 1.00 0.00 N ATOM 0 H GLN A 13 -5.544 3.750 -4.279 1.00 0.00 H new ATOM 0 HA GLN A 13 -5.446 1.227 -5.468 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -3.416 3.420 -4.951 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -2.968 1.947 -5.789 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -4.601 2.349 -7.551 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -5.347 3.654 -6.651 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -4.116 5.656 -6.292 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -2.852 6.116 -7.437 1.00 0.00 H new ATOM 200 N VAL A 14 -3.710 1.398 -2.644 1.00 0.00 N ATOM 201 CA VAL A 14 -3.129 0.566 -1.596 1.00 0.00 C ATOM 202 C VAL A 14 -4.176 -0.391 -1.008 1.00 0.00 C ATOM 203 O VAL A 14 -3.851 -1.545 -0.740 1.00 0.00 O ATOM 204 CB VAL A 14 -2.429 1.433 -0.536 1.00 0.00 C ATOM 205 CG1 VAL A 14 -1.849 0.552 0.574 1.00 0.00 C ATOM 206 CG2 VAL A 14 -1.272 2.230 -1.154 1.00 0.00 C ATOM 0 H VAL A 14 -3.684 2.398 -2.446 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.356 -0.066 -2.034 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.176 2.116 -0.131 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.357 1.180 1.317 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.653 -0.010 1.049 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.124 -0.141 0.147 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.794 2.835 -0.383 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.542 1.541 -1.579 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.657 2.881 -1.939 1.00 0.00 H new ATOM 216 N LEU A 15 -5.425 0.060 -0.827 1.00 0.00 N ATOM 217 CA LEU A 15 -6.516 -0.813 -0.396 1.00 0.00 C ATOM 218 C LEU A 15 -6.821 -1.897 -1.440 1.00 0.00 C ATOM 219 O LEU A 15 -7.125 -3.029 -1.067 1.00 0.00 O ATOM 220 CB LEU A 15 -7.783 -0.006 -0.075 1.00 0.00 C ATOM 221 CG LEU A 15 -7.641 0.949 1.123 1.00 0.00 C ATOM 222 CD1 LEU A 15 -8.907 1.805 1.238 1.00 0.00 C ATOM 223 CD2 LEU A 15 -7.432 0.195 2.443 1.00 0.00 C ATOM 0 H LEU A 15 -5.702 1.031 -0.974 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.185 -1.309 0.516 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -8.063 0.573 -0.955 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.600 -0.699 0.123 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.763 1.570 0.947 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -8.812 2.484 2.086 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -9.040 2.383 0.323 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.771 1.158 1.387 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -7.337 0.911 3.260 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -8.286 -0.457 2.629 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.524 -0.405 2.379 1.00 0.00 H new ATOM 235 N ASN A 16 -6.749 -1.566 -2.737 1.00 0.00 N ATOM 236 CA ASN A 16 -7.068 -2.492 -3.819 1.00 0.00 C ATOM 237 C ASN A 16 -6.097 -3.673 -3.854 1.00 0.00 C ATOM 238 O ASN A 16 -6.546 -4.807 -4.002 1.00 0.00 O ATOM 239 CB ASN A 16 -7.068 -1.780 -5.180 1.00 0.00 C ATOM 240 CG ASN A 16 -8.130 -0.690 -5.307 1.00 0.00 C ATOM 241 OD1 ASN A 16 -9.102 -0.656 -4.557 1.00 0.00 O ATOM 242 ND2 ASN A 16 -7.942 0.211 -6.273 1.00 0.00 N ATOM 0 H ASN A 16 -6.465 -0.641 -3.061 1.00 0.00 H new ATOM 0 HA ASN A 16 -8.070 -2.874 -3.622 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.086 -1.338 -5.348 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -7.224 -2.519 -5.966 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -8.619 0.962 -6.409 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -7.122 0.149 -6.876 1.00 0.00 H new ATOM 249 N MET A 17 -4.788 -3.402 -3.729 1.00 0.00 N ATOM 250 CA MET A 17 -3.711 -4.394 -3.758 1.00 0.00 C ATOM 251 C MET A 17 -4.039 -5.568 -2.822 1.00 0.00 C ATOM 252 O MET A 17 -3.960 -5.398 -1.609 1.00 0.00 O ATOM 253 CB MET A 17 -2.399 -3.716 -3.345 1.00 0.00 C ATOM 254 CG MET A 17 -1.861 -2.798 -4.446 1.00 0.00 C ATOM 255 SD MET A 17 -0.465 -1.772 -3.921 1.00 0.00 S ATOM 256 CE MET A 17 -0.427 -0.585 -5.286 1.00 0.00 C ATOM 0 H MET A 17 -4.442 -2.451 -3.601 1.00 0.00 H new ATOM 0 HA MET A 17 -3.606 -4.793 -4.767 1.00 0.00 H new ATOM 0 HB2 MET A 17 -2.560 -3.137 -2.436 1.00 0.00 H new ATOM 0 HB3 MET A 17 -1.655 -4.477 -3.111 1.00 0.00 H new ATOM 0 HG2 MET A 17 -1.553 -3.407 -5.296 1.00 0.00 H new ATOM 0 HG3 MET A 17 -2.666 -2.150 -4.792 1.00 0.00 H new ATOM 0 HE1 MET A 17 0.381 0.129 -5.125 1.00 0.00 H new ATOM 0 HE2 MET A 17 -0.262 -1.115 -6.224 1.00 0.00 H new ATOM 0 HE3 MET A 17 -1.377 -0.053 -5.332 1.00 0.00 H new ATOM 266 N PRO A 18 -4.413 -6.749 -3.347 1.00 0.00 N ATOM 267 CA PRO A 18 -4.979 -7.826 -2.548 1.00 0.00 C ATOM 268 C PRO A 18 -3.950 -8.620 -1.738 1.00 0.00 C ATOM 269 O PRO A 18 -4.316 -9.197 -0.716 1.00 0.00 O ATOM 270 CB PRO A 18 -5.712 -8.721 -3.550 1.00 0.00 C ATOM 271 CG PRO A 18 -4.882 -8.564 -4.821 1.00 0.00 C ATOM 272 CD PRO A 18 -4.431 -7.104 -4.760 1.00 0.00 C ATOM 0 HA PRO A 18 -5.638 -7.414 -1.784 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -5.746 -9.758 -3.216 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -6.743 -8.400 -3.699 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -4.034 -9.248 -4.836 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -5.471 -8.767 -5.715 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -3.444 -6.981 -5.206 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -5.114 -6.461 -5.315 1.00 0.00 H new ATOM 280 N ASN A 19 -2.682 -8.665 -2.169 1.00 0.00 N ATOM 281 CA ASN A 19 -1.687 -9.552 -1.569 1.00 0.00 C ATOM 282 C ASN A 19 -0.965 -8.896 -0.390 1.00 0.00 C ATOM 283 O ASN A 19 -0.136 -9.545 0.246 1.00 0.00 O ATOM 284 CB ASN A 19 -0.671 -10.006 -2.624 1.00 0.00 C ATOM 285 CG ASN A 19 -1.348 -10.628 -3.842 1.00 0.00 C ATOM 286 OD1 ASN A 19 -1.782 -11.776 -3.800 1.00 0.00 O ATOM 287 ND2 ASN A 19 -1.442 -9.867 -4.933 1.00 0.00 N ATOM 0 H ASN A 19 -2.324 -8.093 -2.934 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.220 -10.421 -1.184 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.071 -9.153 -2.940 1.00 0.00 H new ATOM 0 HB3 ASN A 19 0.013 -10.730 -2.181 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -1.888 -10.234 -5.774 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -1.068 -8.918 -4.927 1.00 0.00 H new ATOM 294 N LEU A 20 -1.280 -7.632 -0.077 1.00 0.00 N ATOM 295 CA LEU A 20 -0.806 -6.988 1.136 1.00 0.00 C ATOM 296 C LEU A 20 -1.609 -7.510 2.328 1.00 0.00 C ATOM 297 O LEU A 20 -2.792 -7.817 2.189 1.00 0.00 O ATOM 298 CB LEU A 20 -0.972 -5.466 1.038 1.00 0.00 C ATOM 299 CG LEU A 20 -0.251 -4.817 -0.151 1.00 0.00 C ATOM 300 CD1 LEU A 20 -0.543 -3.313 -0.148 1.00 0.00 C ATOM 301 CD2 LEU A 20 1.263 -5.032 -0.081 1.00 0.00 C ATOM 0 H LEU A 20 -1.868 -7.037 -0.660 1.00 0.00 H new ATOM 0 HA LEU A 20 0.252 -7.217 1.267 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.035 -5.234 0.971 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.604 -5.014 1.959 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.617 -5.282 -1.066 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.035 -2.842 -0.990 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.617 -3.151 -0.236 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.185 -2.875 0.783 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.738 -4.558 -0.940 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.651 -4.591 0.837 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.480 -6.100 -0.090 1.00 0.00 H new ATOM 313 N ASN A 21 -0.977 -7.596 3.504 1.00 0.00 N ATOM 314 CA ASN A 21 -1.687 -7.857 4.751 1.00 0.00 C ATOM 315 C ASN A 21 -2.108 -6.525 5.381 1.00 0.00 C ATOM 316 O ASN A 21 -1.780 -5.459 4.861 1.00 0.00 O ATOM 317 CB ASN A 21 -0.853 -8.748 5.686 1.00 0.00 C ATOM 318 CG ASN A 21 0.431 -8.097 6.193 1.00 0.00 C ATOM 319 OD1 ASN A 21 0.411 -6.982 6.706 1.00 0.00 O ATOM 320 ND2 ASN A 21 1.558 -8.799 6.064 1.00 0.00 N ATOM 0 H ASN A 21 0.031 -7.487 3.613 1.00 0.00 H new ATOM 0 HA ASN A 21 -2.598 -8.422 4.553 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.466 -9.030 6.542 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -0.597 -9.668 5.160 1.00 0.00 H new ATOM 0 HD21 ASN A 21 2.441 -8.412 6.397 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.537 -9.723 5.632 1.00 0.00 H new ATOM 327 N ALA A 22 -2.841 -6.591 6.499 1.00 0.00 N ATOM 328 CA ALA A 22 -3.372 -5.421 7.186 1.00 0.00 C ATOM 329 C ALA A 22 -2.263 -4.435 7.559 1.00 0.00 C ATOM 330 O ALA A 22 -2.326 -3.270 7.173 1.00 0.00 O ATOM 331 CB ALA A 22 -4.155 -5.861 8.426 1.00 0.00 C ATOM 0 H ALA A 22 -3.082 -7.472 6.953 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.047 -4.900 6.506 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -4.550 -4.983 8.937 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -4.979 -6.508 8.125 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -3.494 -6.406 9.100 1.00 0.00 H new ATOM 337 N ASP A 23 -1.252 -4.902 8.302 1.00 0.00 N ATOM 338 CA ASP A 23 -0.138 -4.081 8.760 1.00 0.00 C ATOM 339 C ASP A 23 0.538 -3.354 7.594 1.00 0.00 C ATOM 340 O ASP A 23 0.818 -2.162 7.693 1.00 0.00 O ATOM 341 CB ASP A 23 0.865 -4.954 9.524 1.00 0.00 C ATOM 342 CG ASP A 23 2.052 -4.135 10.024 1.00 0.00 C ATOM 343 OD1 ASP A 23 1.882 -3.463 11.065 1.00 0.00 O ATOM 344 OD2 ASP A 23 3.107 -4.193 9.355 1.00 0.00 O ATOM 0 H ASP A 23 -1.189 -5.875 8.603 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.524 -3.315 9.433 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.366 -5.428 10.370 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.221 -5.754 8.875 1.00 0.00 H new ATOM 349 N GLN A 24 0.790 -4.073 6.495 1.00 0.00 N ATOM 350 CA GLN A 24 1.424 -3.536 5.301 1.00 0.00 C ATOM 351 C GLN A 24 0.582 -2.417 4.687 1.00 0.00 C ATOM 352 O GLN A 24 1.062 -1.290 4.582 1.00 0.00 O ATOM 353 CB GLN A 24 1.656 -4.664 4.292 1.00 0.00 C ATOM 354 CG GLN A 24 2.760 -5.622 4.760 1.00 0.00 C ATOM 355 CD GLN A 24 2.819 -6.886 3.905 1.00 0.00 C ATOM 356 OE1 GLN A 24 1.944 -7.128 3.078 1.00 0.00 O ATOM 357 NE2 GLN A 24 3.851 -7.708 4.101 1.00 0.00 N ATOM 0 H GLN A 24 0.552 -5.062 6.416 1.00 0.00 H new ATOM 0 HA GLN A 24 2.386 -3.105 5.577 1.00 0.00 H new ATOM 0 HB2 GLN A 24 0.729 -5.219 4.146 1.00 0.00 H new ATOM 0 HB3 GLN A 24 1.928 -4.239 3.326 1.00 0.00 H new ATOM 0 HG2 GLN A 24 3.723 -5.113 4.721 1.00 0.00 H new ATOM 0 HG3 GLN A 24 2.586 -5.896 5.801 1.00 0.00 H new ATOM 0 HE21 GLN A 24 4.561 -7.478 4.796 1.00 0.00 H new ATOM 0 HE22 GLN A 24 3.930 -8.567 3.556 1.00 0.00 H new ATOM 366 N ARG A 25 -0.658 -2.719 4.273 1.00 0.00 N ATOM 367 CA ARG A 25 -1.493 -1.756 3.562 1.00 0.00 C ATOM 368 C ARG A 25 -1.765 -0.515 4.417 1.00 0.00 C ATOM 369 O ARG A 25 -1.630 0.603 3.925 1.00 0.00 O ATOM 370 CB ARG A 25 -2.770 -2.410 3.010 1.00 0.00 C ATOM 371 CG ARG A 25 -3.806 -2.767 4.083 1.00 0.00 C ATOM 372 CD ARG A 25 -5.062 -3.404 3.485 1.00 0.00 C ATOM 373 NE ARG A 25 -4.776 -4.676 2.805 1.00 0.00 N ATOM 374 CZ ARG A 25 -4.750 -4.874 1.478 1.00 0.00 C ATOM 375 NH1 ARG A 25 -4.800 -3.850 0.618 1.00 0.00 N ATOM 376 NH2 ARG A 25 -4.664 -6.121 1.000 1.00 0.00 N ATOM 0 H ARG A 25 -1.100 -3.626 4.422 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.939 -1.407 2.690 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.229 -1.734 2.288 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -2.496 -3.316 2.469 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -3.360 -3.454 4.802 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.083 -1.867 4.632 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.792 -3.574 4.277 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -5.516 -2.711 2.777 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.579 -5.483 3.397 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -4.859 -2.893 0.967 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -4.779 -4.026 -0.386 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -4.619 -6.912 1.643 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -4.644 -6.281 -0.007 1.00 0.00 H new ATOM 390 N ASN A 26 -2.122 -0.703 5.695 1.00 0.00 N ATOM 391 CA ASN A 26 -2.356 0.405 6.611 1.00 0.00 C ATOM 392 C ASN A 26 -1.073 1.211 6.812 1.00 0.00 C ATOM 393 O ASN A 26 -1.116 2.436 6.752 1.00 0.00 O ATOM 394 CB ASN A 26 -2.922 -0.086 7.949 1.00 0.00 C ATOM 395 CG ASN A 26 -4.401 -0.456 7.835 1.00 0.00 C ATOM 396 OD1 ASN A 26 -5.268 0.361 8.136 1.00 0.00 O ATOM 397 ND2 ASN A 26 -4.703 -1.681 7.403 1.00 0.00 N ATOM 0 H ASN A 26 -2.254 -1.624 6.114 1.00 0.00 H new ATOM 0 HA ASN A 26 -3.104 1.061 6.166 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -2.355 -0.953 8.288 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -2.798 0.691 8.704 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -5.679 -1.964 7.314 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -3.958 -2.335 7.162 1.00 0.00 H new ATOM 404 N GLY A 27 0.061 0.535 7.032 1.00 0.00 N ATOM 405 CA GLY A 27 1.364 1.167 7.181 1.00 0.00 C ATOM 406 C GLY A 27 1.662 2.112 6.017 1.00 0.00 C ATOM 407 O GLY A 27 1.986 3.279 6.235 1.00 0.00 O ATOM 0 H GLY A 27 0.093 -0.481 7.112 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.396 1.721 8.119 1.00 0.00 H new ATOM 0 HA3 GLY A 27 2.137 0.401 7.237 1.00 0.00 H new ATOM 411 N PHE A 28 1.533 1.608 4.783 1.00 0.00 N ATOM 412 CA PHE A 28 1.713 2.401 3.577 1.00 0.00 C ATOM 413 C PHE A 28 0.748 3.588 3.546 1.00 0.00 C ATOM 414 O PHE A 28 1.192 4.705 3.307 1.00 0.00 O ATOM 415 CB PHE A 28 1.564 1.524 2.325 1.00 0.00 C ATOM 416 CG PHE A 28 2.717 0.576 2.046 1.00 0.00 C ATOM 417 CD1 PHE A 28 4.026 1.077 1.902 1.00 0.00 C ATOM 418 CD2 PHE A 28 2.472 -0.792 1.817 1.00 0.00 C ATOM 419 CE1 PHE A 28 5.089 0.209 1.601 1.00 0.00 C ATOM 420 CE2 PHE A 28 3.537 -1.662 1.523 1.00 0.00 C ATOM 421 CZ PHE A 28 4.844 -1.160 1.407 1.00 0.00 C ATOM 0 H PHE A 28 1.299 0.632 4.601 1.00 0.00 H new ATOM 0 HA PHE A 28 2.725 2.806 3.585 1.00 0.00 H new ATOM 0 HB2 PHE A 28 0.650 0.938 2.421 1.00 0.00 H new ATOM 0 HB3 PHE A 28 1.435 2.175 1.460 1.00 0.00 H new ATOM 0 HD1 PHE A 28 4.213 2.134 2.024 1.00 0.00 H new ATOM 0 HD2 PHE A 28 1.463 -1.174 1.867 1.00 0.00 H new ATOM 0 HE1 PHE A 28 6.094 0.595 1.519 1.00 0.00 H new ATOM 0 HE2 PHE A 28 3.350 -2.717 1.386 1.00 0.00 H new ATOM 0 HZ PHE A 28 5.660 -1.827 1.169 1.00 0.00 H new ATOM 431 N ILE A 29 -0.552 3.369 3.791 1.00 0.00 N ATOM 432 CA ILE A 29 -1.559 4.431 3.785 1.00 0.00 C ATOM 433 C ILE A 29 -1.183 5.555 4.756 1.00 0.00 C ATOM 434 O ILE A 29 -1.223 6.722 4.371 1.00 0.00 O ATOM 435 CB ILE A 29 -2.959 3.846 4.059 1.00 0.00 C ATOM 436 CG1 ILE A 29 -3.426 3.073 2.815 1.00 0.00 C ATOM 437 CG2 ILE A 29 -3.981 4.942 4.396 1.00 0.00 C ATOM 438 CD1 ILE A 29 -4.583 2.112 3.098 1.00 0.00 C ATOM 0 H ILE A 29 -0.932 2.446 3.999 1.00 0.00 H new ATOM 0 HA ILE A 29 -1.590 4.883 2.793 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.890 3.183 4.921 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -3.733 3.784 2.048 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -2.586 2.509 2.409 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -4.954 4.487 4.582 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.656 5.481 5.286 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -4.059 5.636 3.559 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.863 1.599 2.178 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -4.273 1.379 3.842 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.438 2.673 3.475 1.00 0.00 H new ATOM 450 N GLN A 30 -0.812 5.220 5.998 1.00 0.00 N ATOM 451 CA GLN A 30 -0.389 6.208 6.983 1.00 0.00 C ATOM 452 C GLN A 30 0.842 6.970 6.489 1.00 0.00 C ATOM 453 O GLN A 30 0.872 8.195 6.575 1.00 0.00 O ATOM 454 CB GLN A 30 -0.122 5.549 8.343 1.00 0.00 C ATOM 455 CG GLN A 30 -1.380 4.959 8.996 1.00 0.00 C ATOM 456 CD GLN A 30 -2.476 6.001 9.210 1.00 0.00 C ATOM 457 OE1 GLN A 30 -2.355 6.865 10.074 1.00 0.00 O ATOM 458 NE2 GLN A 30 -3.552 5.922 8.423 1.00 0.00 N ATOM 0 H GLN A 30 -0.798 4.260 6.342 1.00 0.00 H new ATOM 0 HA GLN A 30 -1.199 6.925 7.115 1.00 0.00 H new ATOM 0 HB2 GLN A 30 0.617 4.758 8.215 1.00 0.00 H new ATOM 0 HB3 GLN A 30 0.315 6.287 9.016 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -1.766 4.155 8.370 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -1.113 4.516 9.955 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -3.614 5.189 7.717 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -4.311 6.595 8.528 1.00 0.00 H new ATOM 467 N SER A 31 1.845 6.261 5.954 1.00 0.00 N ATOM 468 CA SER A 31 3.026 6.884 5.365 1.00 0.00 C ATOM 469 C SER A 31 2.645 7.848 4.234 1.00 0.00 C ATOM 470 O SER A 31 3.277 8.888 4.074 1.00 0.00 O ATOM 471 CB SER A 31 4.001 5.813 4.861 1.00 0.00 C ATOM 472 OG SER A 31 4.333 4.912 5.897 1.00 0.00 O ATOM 0 H SER A 31 1.856 5.242 5.920 1.00 0.00 H new ATOM 0 HA SER A 31 3.521 7.467 6.142 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.553 5.269 4.029 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.906 6.288 4.481 1.00 0.00 H new ATOM 0 HG SER A 31 3.584 4.298 6.049 1.00 0.00 H new ATOM 478 N LEU A 32 1.610 7.504 3.459 1.00 0.00 N ATOM 479 CA LEU A 32 1.089 8.306 2.360 1.00 0.00 C ATOM 480 C LEU A 32 0.452 9.592 2.898 1.00 0.00 C ATOM 481 O LEU A 32 0.710 10.672 2.373 1.00 0.00 O ATOM 482 CB LEU A 32 0.094 7.457 1.546 1.00 0.00 C ATOM 483 CG LEU A 32 0.256 7.612 0.028 1.00 0.00 C ATOM 484 CD1 LEU A 32 -0.487 6.475 -0.684 1.00 0.00 C ATOM 485 CD2 LEU A 32 -0.267 8.966 -0.462 1.00 0.00 C ATOM 0 H LEU A 32 1.100 6.630 3.589 1.00 0.00 H new ATOM 0 HA LEU A 32 1.899 8.608 1.696 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.222 6.408 1.812 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.922 7.735 1.825 1.00 0.00 H new ATOM 0 HG LEU A 32 1.319 7.565 -0.206 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.372 6.585 -1.762 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.072 5.517 -0.370 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.545 6.514 -0.426 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.135 9.038 -1.542 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.326 9.057 -0.219 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.287 9.768 0.026 1.00 0.00 H new ATOM 497 N LYS A 33 -0.366 9.482 3.954 1.00 0.00 N ATOM 498 CA LYS A 33 -0.961 10.628 4.634 1.00 0.00 C ATOM 499 C LYS A 33 0.124 11.561 5.179 1.00 0.00 C ATOM 500 O LYS A 33 0.017 12.777 5.031 1.00 0.00 O ATOM 501 CB LYS A 33 -1.879 10.164 5.773 1.00 0.00 C ATOM 502 CG LYS A 33 -3.156 9.501 5.247 1.00 0.00 C ATOM 503 CD LYS A 33 -4.014 9.006 6.417 1.00 0.00 C ATOM 504 CE LYS A 33 -5.274 8.282 5.929 1.00 0.00 C ATOM 505 NZ LYS A 33 -6.183 9.185 5.204 1.00 0.00 N ATOM 0 H LYS A 33 -0.632 8.585 4.359 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.557 11.179 3.906 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.341 9.461 6.409 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.144 11.018 6.396 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.723 10.212 4.646 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -2.899 8.666 4.595 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.426 8.333 7.040 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.299 9.852 7.042 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.988 7.456 5.278 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.797 7.849 6.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -7.149 8.801 5.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.171 10.123 5.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.872 9.270 4.215 1.00 0.00 H new ATOM 519 N ASP A 34 1.162 10.994 5.806 1.00 0.00 N ATOM 520 CA ASP A 34 2.273 11.748 6.372 1.00 0.00 C ATOM 521 C ASP A 34 3.060 12.467 5.274 1.00 0.00 C ATOM 522 O ASP A 34 3.373 13.648 5.415 1.00 0.00 O ATOM 523 CB ASP A 34 3.200 10.816 7.167 1.00 0.00 C ATOM 524 CG ASP A 34 2.504 10.108 8.330 1.00 0.00 C ATOM 525 OD1 ASP A 34 1.585 10.721 8.918 1.00 0.00 O ATOM 526 OD2 ASP A 34 2.910 8.961 8.616 1.00 0.00 O ATOM 0 H ASP A 34 1.249 9.986 5.933 1.00 0.00 H new ATOM 0 HA ASP A 34 1.865 12.500 7.048 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.614 10.067 6.492 1.00 0.00 H new ATOM 0 HB3 ASP A 34 4.038 11.395 7.554 1.00 0.00 H new ATOM 531 N ASP A 35 3.382 11.748 4.192 1.00 0.00 N ATOM 532 CA ASP A 35 4.202 12.223 3.087 1.00 0.00 C ATOM 533 C ASP A 35 3.410 12.117 1.779 1.00 0.00 C ATOM 534 O ASP A 35 3.641 11.188 1.005 1.00 0.00 O ATOM 535 CB ASP A 35 5.496 11.401 3.021 1.00 0.00 C ATOM 536 CG ASP A 35 6.362 11.587 4.263 1.00 0.00 C ATOM 537 OD1 ASP A 35 6.106 10.869 5.255 1.00 0.00 O ATOM 538 OD2 ASP A 35 7.270 12.444 4.196 1.00 0.00 O ATOM 0 H ASP A 35 3.065 10.787 4.064 1.00 0.00 H new ATOM 0 HA ASP A 35 4.468 13.269 3.241 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.248 10.346 2.908 1.00 0.00 H new ATOM 0 HB3 ASP A 35 6.064 11.692 2.137 1.00 0.00 H new ATOM 543 N PRO A 36 2.488 13.055 1.502 1.00 0.00 N ATOM 544 CA PRO A 36 1.739 13.085 0.253 1.00 0.00 C ATOM 545 C PRO A 36 2.665 13.392 -0.928 1.00 0.00 C ATOM 546 O PRO A 36 2.406 12.952 -2.046 1.00 0.00 O ATOM 547 CB PRO A 36 0.666 14.157 0.449 1.00 0.00 C ATOM 548 CG PRO A 36 1.313 15.123 1.438 1.00 0.00 C ATOM 549 CD PRO A 36 2.131 14.194 2.335 1.00 0.00 C ATOM 0 HA PRO A 36 1.283 12.123 0.019 1.00 0.00 H new ATOM 0 HB2 PRO A 36 0.414 14.651 -0.490 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -0.258 13.734 0.845 1.00 0.00 H new ATOM 0 HG2 PRO A 36 1.943 15.856 0.934 1.00 0.00 H new ATOM 0 HG3 PRO A 36 0.568 15.680 2.006 1.00 0.00 H new ATOM 0 HD2 PRO A 36 3.021 14.698 2.712 1.00 0.00 H new ATOM 0 HD3 PRO A 36 1.552 13.878 3.203 1.00 0.00 H new ATOM 557 N SER A 37 3.759 14.122 -0.675 1.00 0.00 N ATOM 558 CA SER A 37 4.845 14.326 -1.620 1.00 0.00 C ATOM 559 C SER A 37 5.378 12.985 -2.136 1.00 0.00 C ATOM 560 O SER A 37 5.650 12.850 -3.327 1.00 0.00 O ATOM 561 CB SER A 37 5.953 15.131 -0.933 1.00 0.00 C ATOM 562 OG SER A 37 6.324 14.518 0.287 1.00 0.00 O ATOM 0 H SER A 37 3.909 14.595 0.216 1.00 0.00 H new ATOM 0 HA SER A 37 4.478 14.881 -2.483 1.00 0.00 H new ATOM 0 HB2 SER A 37 6.820 15.202 -1.590 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.610 16.149 -0.746 1.00 0.00 H new ATOM 0 HG SER A 37 7.034 15.042 0.714 1.00 0.00 H new ATOM 568 N GLN A 38 5.510 11.997 -1.241 1.00 0.00 N ATOM 569 CA GLN A 38 5.989 10.660 -1.560 1.00 0.00 C ATOM 570 C GLN A 38 4.838 9.717 -1.933 1.00 0.00 C ATOM 571 O GLN A 38 4.938 8.517 -1.693 1.00 0.00 O ATOM 572 CB GLN A 38 6.788 10.113 -0.368 1.00 0.00 C ATOM 573 CG GLN A 38 8.035 10.951 -0.072 1.00 0.00 C ATOM 574 CD GLN A 38 8.921 10.245 0.951 1.00 0.00 C ATOM 575 OE1 GLN A 38 9.586 9.266 0.618 1.00 0.00 O ATOM 576 NE2 GLN A 38 8.935 10.729 2.194 1.00 0.00 N ATOM 0 H GLN A 38 5.279 12.115 -0.254 1.00 0.00 H new ATOM 0 HA GLN A 38 6.638 10.721 -2.433 1.00 0.00 H new ATOM 0 HB2 GLN A 38 6.150 10.091 0.515 1.00 0.00 H new ATOM 0 HB3 GLN A 38 7.084 9.084 -0.573 1.00 0.00 H new ATOM 0 HG2 GLN A 38 8.594 11.119 -0.992 1.00 0.00 H new ATOM 0 HG3 GLN A 38 7.741 11.930 0.306 1.00 0.00 H new ATOM 0 HE21 GLN A 38 8.369 11.544 2.430 1.00 0.00 H new ATOM 0 HE22 GLN A 38 9.512 10.284 2.908 1.00 0.00 H new ATOM 585 N SER A 39 3.754 10.230 -2.534 1.00 0.00 N ATOM 586 CA SER A 39 2.651 9.397 -3.002 1.00 0.00 C ATOM 587 C SER A 39 3.162 8.343 -3.988 1.00 0.00 C ATOM 588 O SER A 39 2.925 7.153 -3.793 1.00 0.00 O ATOM 589 CB SER A 39 1.555 10.268 -3.628 1.00 0.00 C ATOM 590 OG SER A 39 0.518 9.458 -4.140 1.00 0.00 O ATOM 0 H SER A 39 3.623 11.227 -2.705 1.00 0.00 H new ATOM 0 HA SER A 39 2.215 8.873 -2.151 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.155 10.954 -2.881 1.00 0.00 H new ATOM 0 HB3 SER A 39 1.977 10.878 -4.427 1.00 0.00 H new ATOM 0 HG SER A 39 -0.176 10.026 -4.535 1.00 0.00 H new ATOM 596 N ALA A 40 3.876 8.784 -5.031 1.00 0.00 N ATOM 597 CA ALA A 40 4.444 7.917 -6.057 1.00 0.00 C ATOM 598 C ALA A 40 5.359 6.847 -5.455 1.00 0.00 C ATOM 599 O ALA A 40 5.266 5.680 -5.829 1.00 0.00 O ATOM 600 CB ALA A 40 5.203 8.769 -7.077 1.00 0.00 C ATOM 0 H ALA A 40 4.076 9.773 -5.183 1.00 0.00 H new ATOM 0 HA ALA A 40 3.628 7.393 -6.555 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.629 8.124 -7.845 1.00 0.00 H new ATOM 0 HB2 ALA A 40 4.518 9.480 -7.539 1.00 0.00 H new ATOM 0 HB3 ALA A 40 6.004 9.311 -6.574 1.00 0.00 H new ATOM 606 N ASN A 41 6.237 7.244 -4.525 1.00 0.00 N ATOM 607 CA ASN A 41 7.168 6.340 -3.862 1.00 0.00 C ATOM 608 C ASN A 41 6.407 5.264 -3.086 1.00 0.00 C ATOM 609 O ASN A 41 6.641 4.078 -3.300 1.00 0.00 O ATOM 610 CB ASN A 41 8.099 7.144 -2.945 1.00 0.00 C ATOM 611 CG ASN A 41 9.108 6.268 -2.200 1.00 0.00 C ATOM 612 OD1 ASN A 41 9.479 5.195 -2.669 1.00 0.00 O ATOM 613 ND2 ASN A 41 9.562 6.726 -1.031 1.00 0.00 N ATOM 0 H ASN A 41 6.317 8.212 -4.213 1.00 0.00 H new ATOM 0 HA ASN A 41 7.777 5.833 -4.610 1.00 0.00 H new ATOM 0 HB2 ASN A 41 8.637 7.882 -3.540 1.00 0.00 H new ATOM 0 HB3 ASN A 41 7.499 7.694 -2.220 1.00 0.00 H new ATOM 0 HD21 ASN A 41 10.239 6.180 -0.498 1.00 0.00 H new ATOM 0 HD22 ASN A 41 9.232 7.622 -0.671 1.00 0.00 H new ATOM 620 N VAL A 42 5.492 5.676 -2.200 1.00 0.00 N ATOM 621 CA VAL A 42 4.682 4.776 -1.388 1.00 0.00 C ATOM 622 C VAL A 42 3.892 3.804 -2.270 1.00 0.00 C ATOM 623 O VAL A 42 3.869 2.610 -1.982 1.00 0.00 O ATOM 624 CB VAL A 42 3.777 5.594 -0.451 1.00 0.00 C ATOM 625 CG1 VAL A 42 2.730 4.714 0.240 1.00 0.00 C ATOM 626 CG2 VAL A 42 4.616 6.277 0.640 1.00 0.00 C ATOM 0 H VAL A 42 5.295 6.662 -2.029 1.00 0.00 H new ATOM 0 HA VAL A 42 5.334 4.164 -0.765 1.00 0.00 H new ATOM 0 HB VAL A 42 3.271 6.335 -1.070 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.111 5.329 0.893 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.102 4.237 -0.512 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.232 3.948 0.832 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.962 6.852 1.295 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.140 5.520 1.224 1.00 0.00 H new ATOM 0 HG23 VAL A 42 5.342 6.944 0.176 1.00 0.00 H new ATOM 636 N LEU A 43 3.258 4.301 -3.340 1.00 0.00 N ATOM 637 CA LEU A 43 2.544 3.471 -4.304 1.00 0.00 C ATOM 638 C LEU A 43 3.483 2.445 -4.942 1.00 0.00 C ATOM 639 O LEU A 43 3.113 1.281 -5.072 1.00 0.00 O ATOM 640 CB LEU A 43 1.891 4.347 -5.384 1.00 0.00 C ATOM 641 CG LEU A 43 0.651 5.102 -4.878 1.00 0.00 C ATOM 642 CD1 LEU A 43 0.294 6.225 -5.859 1.00 0.00 C ATOM 643 CD2 LEU A 43 -0.554 4.162 -4.748 1.00 0.00 C ATOM 0 H LEU A 43 3.229 5.297 -3.558 1.00 0.00 H new ATOM 0 HA LEU A 43 1.761 2.930 -3.774 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.623 5.067 -5.751 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.608 3.720 -6.230 1.00 0.00 H new ATOM 0 HG LEU A 43 0.886 5.514 -3.897 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.585 6.758 -5.497 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.131 6.918 -5.939 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.082 5.798 -6.839 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.416 4.723 -4.388 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.784 3.728 -5.721 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.320 3.365 -4.042 1.00 0.00 H new ATOM 655 N GLY A 44 4.691 2.870 -5.332 1.00 0.00 N ATOM 656 CA GLY A 44 5.709 2.000 -5.898 1.00 0.00 C ATOM 657 C GLY A 44 6.061 0.864 -4.939 1.00 0.00 C ATOM 658 O GLY A 44 5.975 -0.305 -5.308 1.00 0.00 O ATOM 0 H GLY A 44 4.985 3.844 -5.259 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.353 1.586 -6.841 1.00 0.00 H new ATOM 0 HA3 GLY A 44 6.604 2.581 -6.122 1.00 0.00 H new ATOM 662 N GLU A 45 6.446 1.213 -3.706 1.00 0.00 N ATOM 663 CA GLU A 45 6.801 0.271 -2.653 1.00 0.00 C ATOM 664 C GLU A 45 5.658 -0.712 -2.386 1.00 0.00 C ATOM 665 O GLU A 45 5.893 -1.913 -2.279 1.00 0.00 O ATOM 666 CB GLU A 45 7.154 1.039 -1.374 1.00 0.00 C ATOM 667 CG GLU A 45 8.443 1.855 -1.527 1.00 0.00 C ATOM 668 CD GLU A 45 8.650 2.770 -0.324 1.00 0.00 C ATOM 669 OE1 GLU A 45 7.977 3.824 -0.287 1.00 0.00 O ATOM 670 OE2 GLU A 45 9.473 2.400 0.540 1.00 0.00 O ATOM 0 H GLU A 45 6.519 2.187 -3.411 1.00 0.00 H new ATOM 0 HA GLU A 45 7.667 -0.305 -2.979 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.332 1.706 -1.114 1.00 0.00 H new ATOM 0 HB3 GLU A 45 7.267 0.336 -0.549 1.00 0.00 H new ATOM 0 HG2 GLU A 45 9.295 1.182 -1.629 1.00 0.00 H new ATOM 0 HG3 GLU A 45 8.396 2.450 -2.439 1.00 0.00 H new ATOM 677 N ALA A 46 4.426 -0.201 -2.284 1.00 0.00 N ATOM 678 CA ALA A 46 3.237 -1.005 -2.051 1.00 0.00 C ATOM 679 C ALA A 46 3.003 -1.994 -3.193 1.00 0.00 C ATOM 680 O ALA A 46 2.732 -3.164 -2.938 1.00 0.00 O ATOM 681 CB ALA A 46 2.028 -0.092 -1.835 1.00 0.00 C ATOM 0 H ALA A 46 4.232 0.797 -2.363 1.00 0.00 H new ATOM 0 HA ALA A 46 3.385 -1.597 -1.148 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.140 -0.699 -1.661 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.205 0.548 -0.971 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.877 0.527 -2.720 1.00 0.00 H new ATOM 687 N GLN A 47 3.114 -1.535 -4.445 1.00 0.00 N ATOM 688 CA GLN A 47 2.933 -2.373 -5.622 1.00 0.00 C ATOM 689 C GLN A 47 4.002 -3.467 -5.683 1.00 0.00 C ATOM 690 O GLN A 47 3.688 -4.610 -6.006 1.00 0.00 O ATOM 691 CB GLN A 47 2.943 -1.502 -6.886 1.00 0.00 C ATOM 692 CG GLN A 47 2.707 -2.300 -8.177 1.00 0.00 C ATOM 693 CD GLN A 47 1.360 -3.024 -8.186 1.00 0.00 C ATOM 694 OE1 GLN A 47 0.360 -2.471 -8.636 1.00 0.00 O ATOM 695 NE2 GLN A 47 1.328 -4.264 -7.695 1.00 0.00 N ATOM 0 H GLN A 47 3.334 -0.563 -4.665 1.00 0.00 H new ATOM 0 HA GLN A 47 1.966 -2.872 -5.558 1.00 0.00 H new ATOM 0 HB2 GLN A 47 2.174 -0.735 -6.796 1.00 0.00 H new ATOM 0 HB3 GLN A 47 3.901 -0.987 -6.956 1.00 0.00 H new ATOM 0 HG2 GLN A 47 2.757 -1.625 -9.031 1.00 0.00 H new ATOM 0 HG3 GLN A 47 3.508 -3.029 -8.300 1.00 0.00 H new ATOM 0 HE21 GLN A 47 2.180 -4.690 -7.330 1.00 0.00 H new ATOM 0 HE22 GLN A 47 0.452 -4.786 -7.685 1.00 0.00 H new ATOM 704 N LYS A 48 5.256 -3.120 -5.373 1.00 0.00 N ATOM 705 CA LYS A 48 6.367 -4.060 -5.328 1.00 0.00 C ATOM 706 C LYS A 48 6.128 -5.128 -4.258 1.00 0.00 C ATOM 707 O LYS A 48 6.311 -6.314 -4.525 1.00 0.00 O ATOM 708 CB LYS A 48 7.676 -3.303 -5.067 1.00 0.00 C ATOM 709 CG LYS A 48 8.129 -2.528 -6.311 1.00 0.00 C ATOM 710 CD LYS A 48 9.176 -1.444 -6.009 1.00 0.00 C ATOM 711 CE LYS A 48 10.468 -1.976 -5.374 1.00 0.00 C ATOM 712 NZ LYS A 48 10.350 -2.138 -3.914 1.00 0.00 N ATOM 0 H LYS A 48 5.525 -2.163 -5.144 1.00 0.00 H new ATOM 0 HA LYS A 48 6.443 -4.566 -6.290 1.00 0.00 H new ATOM 0 HB2 LYS A 48 7.539 -2.612 -4.235 1.00 0.00 H new ATOM 0 HB3 LYS A 48 8.453 -4.008 -4.772 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.542 -3.229 -7.036 1.00 0.00 H new ATOM 0 HG3 LYS A 48 7.260 -2.063 -6.777 1.00 0.00 H new ATOM 0 HD2 LYS A 48 9.426 -0.928 -6.936 1.00 0.00 H new ATOM 0 HD3 LYS A 48 8.734 -0.704 -5.341 1.00 0.00 H new ATOM 0 HE2 LYS A 48 10.723 -2.936 -5.824 1.00 0.00 H new ATOM 0 HE3 LYS A 48 11.287 -1.292 -5.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 11.251 -1.881 -3.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 9.594 -1.520 -3.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 10.122 -3.128 -3.692 1.00 0.00 H new ATOM 726 N LEU A 49 5.718 -4.716 -3.051 1.00 0.00 N ATOM 727 CA LEU A 49 5.474 -5.635 -1.949 1.00 0.00 C ATOM 728 C LEU A 49 4.296 -6.561 -2.274 1.00 0.00 C ATOM 729 O LEU A 49 4.374 -7.764 -2.040 1.00 0.00 O ATOM 730 CB LEU A 49 5.257 -4.857 -0.642 1.00 0.00 C ATOM 731 CG LEU A 49 5.521 -5.733 0.595 1.00 0.00 C ATOM 732 CD1 LEU A 49 7.023 -5.897 0.853 1.00 0.00 C ATOM 733 CD2 LEU A 49 4.901 -5.098 1.841 1.00 0.00 C ATOM 0 H LEU A 49 5.549 -3.737 -2.819 1.00 0.00 H new ATOM 0 HA LEU A 49 6.351 -6.266 -1.809 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.917 -3.990 -0.621 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.235 -4.480 -0.609 1.00 0.00 H new ATOM 0 HG LEU A 49 5.074 -6.707 0.396 1.00 0.00 H new ATOM 0 HD11 LEU A 49 7.175 -6.521 1.734 1.00 0.00 H new ATOM 0 HD12 LEU A 49 7.491 -6.368 -0.011 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.472 -4.918 1.020 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.097 -5.730 2.707 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.339 -4.113 2.004 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.825 -4.998 1.701 1.00 0.00 H new ATOM 745 N ASN A 50 3.216 -6.005 -2.835 1.00 0.00 N ATOM 746 CA ASN A 50 2.076 -6.767 -3.322 1.00 0.00 C ATOM 747 C ASN A 50 2.535 -7.811 -4.341 1.00 0.00 C ATOM 748 O ASN A 50 2.208 -8.985 -4.201 1.00 0.00 O ATOM 749 CB ASN A 50 1.039 -5.813 -3.929 1.00 0.00 C ATOM 750 CG ASN A 50 -0.126 -6.566 -4.571 1.00 0.00 C ATOM 751 OD1 ASN A 50 -1.086 -6.931 -3.898 1.00 0.00 O ATOM 752 ND2 ASN A 50 -0.047 -6.804 -5.882 1.00 0.00 N ATOM 0 H ASN A 50 3.115 -4.998 -2.962 1.00 0.00 H new ATOM 0 HA ASN A 50 1.610 -7.296 -2.491 1.00 0.00 H new ATOM 0 HB2 ASN A 50 0.658 -5.150 -3.152 1.00 0.00 H new ATOM 0 HB3 ASN A 50 1.520 -5.183 -4.678 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -0.799 -7.304 -6.356 1.00 0.00 H new ATOM 0 HD22 ASN A 50 0.766 -6.486 -6.410 1.00 0.00 H new ATOM 759 N ASP A 51 3.291 -7.382 -5.357 1.00 0.00 N ATOM 760 CA ASP A 51 3.774 -8.237 -6.432 1.00 0.00 C ATOM 761 C ASP A 51 4.623 -9.392 -5.893 1.00 0.00 C ATOM 762 O ASP A 51 4.411 -10.537 -6.282 1.00 0.00 O ATOM 763 CB ASP A 51 4.557 -7.394 -7.444 1.00 0.00 C ATOM 764 CG ASP A 51 5.064 -8.246 -8.603 1.00 0.00 C ATOM 765 OD1 ASP A 51 4.253 -8.500 -9.520 1.00 0.00 O ATOM 766 OD2 ASP A 51 6.253 -8.631 -8.551 1.00 0.00 O ATOM 0 H ASP A 51 3.587 -6.410 -5.452 1.00 0.00 H new ATOM 0 HA ASP A 51 2.917 -8.685 -6.934 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.919 -6.598 -7.827 1.00 0.00 H new ATOM 0 HB3 ASP A 51 5.400 -6.915 -6.946 1.00 0.00 H new ATOM 771 N SER A 52 5.574 -9.094 -4.999 1.00 0.00 N ATOM 772 CA SER A 52 6.453 -10.095 -4.404 1.00 0.00 C ATOM 773 C SER A 52 5.674 -11.143 -3.600 1.00 0.00 C ATOM 774 O SER A 52 6.103 -12.293 -3.521 1.00 0.00 O ATOM 775 CB SER A 52 7.524 -9.410 -3.548 1.00 0.00 C ATOM 776 OG SER A 52 6.957 -8.813 -2.402 1.00 0.00 O ATOM 0 H SER A 52 5.752 -8.145 -4.670 1.00 0.00 H new ATOM 0 HA SER A 52 6.946 -10.634 -5.213 1.00 0.00 H new ATOM 0 HB2 SER A 52 8.275 -10.141 -3.247 1.00 0.00 H new ATOM 0 HB3 SER A 52 8.037 -8.652 -4.140 1.00 0.00 H new ATOM 0 HG SER A 52 6.039 -8.533 -2.599 1.00 0.00 H new ATOM 782 N GLN A 53 4.533 -10.751 -3.019 1.00 0.00 N ATOM 783 CA GLN A 53 3.667 -11.632 -2.244 1.00 0.00 C ATOM 784 C GLN A 53 2.628 -12.320 -3.139 1.00 0.00 C ATOM 785 O GLN A 53 2.093 -13.358 -2.755 1.00 0.00 O ATOM 786 CB GLN A 53 2.987 -10.822 -1.132 1.00 0.00 C ATOM 787 CG GLN A 53 4.006 -10.368 -0.077 1.00 0.00 C ATOM 788 CD GLN A 53 3.357 -9.486 0.985 1.00 0.00 C ATOM 789 OE1 GLN A 53 3.265 -9.869 2.149 1.00 0.00 O ATOM 790 NE2 GLN A 53 2.913 -8.294 0.586 1.00 0.00 N ATOM 0 H GLN A 53 4.185 -9.794 -3.079 1.00 0.00 H new ATOM 0 HA GLN A 53 4.273 -12.419 -1.795 1.00 0.00 H new ATOM 0 HB2 GLN A 53 2.492 -9.951 -1.563 1.00 0.00 H new ATOM 0 HB3 GLN A 53 2.213 -11.427 -0.658 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.453 -11.241 0.398 1.00 0.00 H new ATOM 0 HG3 GLN A 53 4.814 -9.820 -0.562 1.00 0.00 H new ATOM 0 HE21 GLN A 53 3.009 -8.015 -0.390 1.00 0.00 H new ATOM 0 HE22 GLN A 53 2.477 -7.661 1.257 1.00 0.00 H new ATOM 799 N ALA A 54 2.348 -11.767 -4.327 1.00 0.00 N ATOM 800 CA ALA A 54 1.468 -12.378 -5.314 1.00 0.00 C ATOM 801 C ALA A 54 2.119 -13.642 -5.893 1.00 0.00 C ATOM 802 O ALA A 54 3.325 -13.832 -5.731 1.00 0.00 O ATOM 803 CB ALA A 54 1.181 -11.371 -6.434 1.00 0.00 C ATOM 0 H ALA A 54 2.734 -10.872 -4.627 1.00 0.00 H new ATOM 0 HA ALA A 54 0.531 -12.660 -4.835 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.523 -11.827 -7.173 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.699 -10.488 -6.015 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.117 -11.081 -6.911 1.00 0.00 H new ATOM 809 N PRO A 55 1.362 -14.511 -6.587 1.00 0.00 N ATOM 810 CA PRO A 55 1.918 -15.646 -7.302 1.00 0.00 C ATOM 811 C PRO A 55 2.787 -15.182 -8.474 1.00 0.00 C ATOM 812 O PRO A 55 2.908 -13.990 -8.751 1.00 0.00 O ATOM 813 CB PRO A 55 0.720 -16.469 -7.801 1.00 0.00 C ATOM 814 CG PRO A 55 -0.450 -15.961 -6.962 1.00 0.00 C ATOM 815 CD PRO A 55 -0.074 -14.496 -6.773 1.00 0.00 C ATOM 0 HA PRO A 55 2.562 -16.241 -6.655 1.00 0.00 H new ATOM 0 HB2 PRO A 55 0.545 -16.314 -8.866 1.00 0.00 H new ATOM 0 HB3 PRO A 55 0.881 -17.537 -7.656 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -1.404 -16.077 -7.476 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -0.534 -16.489 -6.012 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -0.356 -13.899 -7.640 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -0.581 -14.064 -5.910 1.00 0.00 H new ATOM 823 N LYS A 56 3.380 -16.160 -9.159 1.00 0.00 N ATOM 824 CA LYS A 56 4.300 -15.969 -10.273 1.00 0.00 C ATOM 825 C LYS A 56 3.905 -16.905 -11.415 1.00 0.00 C ATOM 826 O LYS A 56 3.662 -18.096 -11.120 1.00 0.00 O ATOM 827 CB LYS A 56 5.743 -16.248 -9.820 1.00 0.00 C ATOM 828 CG LYS A 56 6.237 -15.344 -8.679 1.00 0.00 C ATOM 829 CD LYS A 56 6.354 -13.870 -9.095 1.00 0.00 C ATOM 830 CE LYS A 56 7.009 -13.017 -8.000 1.00 0.00 C ATOM 831 NZ LYS A 56 6.195 -12.994 -6.800 1.00 0.00 N ATOM 832 OXT LYS A 56 3.854 -16.415 -12.564 1.00 0.00 O ATOM 0 H LYS A 56 3.224 -17.144 -8.942 1.00 0.00 H new ATOM 0 HA LYS A 56 4.246 -14.937 -10.621 1.00 0.00 H new ATOM 0 HB2 LYS A 56 5.816 -17.288 -9.501 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.409 -16.130 -10.675 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.552 -15.425 -7.835 1.00 0.00 H new ATOM 0 HG3 LYS A 56 7.209 -15.698 -8.336 1.00 0.00 H new ATOM 0 HD2 LYS A 56 6.940 -13.797 -10.011 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.363 -13.476 -9.318 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.996 -13.415 -7.766 1.00 0.00 H new ATOM 0 HE3 LYS A 56 7.154 -12.000 -8.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 5.936 -12.012 -6.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 5.332 -13.553 -6.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 6.733 -13.401 -6.008 1.00 0.00 H new TER 845 LYS A 56