USER MOD reduce.3.24.130724 H: found=0, std=0, add=439, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 429 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 47 SER OG : rot 180:sc= -0.0084 USER MOD Set 1.2: A 51 HIS : no HD1:sc= 0 X(o=-0.0084,f=-0.074) USER MOD Set 2.1: A 6 HIS : no HD1:sc= 0.808 K(o=1.7,f=-1.7!) USER MOD Set 2.2: A 40 THR OG1 : rot 66:sc= 0.897 USER MOD Set 3.1: A 12 CYS SG : rot -19:sc= -0.0736 USER MOD Set 3.2: A 15 CYS SG : rot -76:sc= 1.02 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl 150:sc= -0.0145 (180deg=-0.735) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 173:sc= 0.935 (180deg=0.85) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -74:sc= 0.167 USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot 109:sc= 0.74 USER MOD Single : A 57 THR OG1 : rot -8:sc= 0.6 USER MOD Single : A 61 TYR OH : rot -101:sc= 0.133 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.158 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 3.856 -13.233 -7.131 1.00 0.00 N ATOM 2 CA ALA A 1 3.717 -13.675 -5.748 1.00 0.00 C ATOM 3 C ALA A 1 4.346 -12.673 -4.786 1.00 0.00 C ATOM 4 O ALA A 1 5.355 -12.961 -4.146 1.00 0.00 O ATOM 5 CB ALA A 1 4.347 -15.048 -5.569 1.00 0.00 C ATOM 0 H1 ALA A 1 3.420 -13.933 -7.765 1.00 0.00 H new ATOM 0 H2 ALA A 1 3.383 -12.315 -7.251 1.00 0.00 H new ATOM 0 H3 ALA A 1 4.865 -13.136 -7.365 1.00 0.00 H new ATOM 0 HA ALA A 1 2.654 -13.741 -5.518 1.00 0.00 H new ATOM 0 HB1 ALA A 1 4.237 -15.367 -4.532 1.00 0.00 H new ATOM 0 HB2 ALA A 1 3.851 -15.764 -6.224 1.00 0.00 H new ATOM 0 HB3 ALA A 1 5.406 -14.998 -5.822 1.00 0.00 H new ATOM 11 N GLY A 2 3.741 -11.493 -4.689 1.00 0.00 N ATOM 12 CA GLY A 2 4.252 -10.468 -3.799 1.00 0.00 C ATOM 13 C GLY A 2 3.565 -10.478 -2.447 1.00 0.00 C ATOM 14 O GLY A 2 3.078 -11.517 -1.998 1.00 0.00 O ATOM 0 H GLY A 2 2.906 -11.229 -5.211 1.00 0.00 H new ATOM 0 HA2 GLY A 2 5.323 -10.613 -3.660 1.00 0.00 H new ATOM 0 HA3 GLY A 2 4.121 -9.490 -4.263 1.00 0.00 H new ATOM 18 N LEU A 3 3.528 -9.322 -1.795 1.00 0.00 N ATOM 19 CA LEU A 3 2.895 -9.201 -0.487 1.00 0.00 C ATOM 20 C LEU A 3 1.530 -8.529 -0.603 1.00 0.00 C ATOM 21 O LEU A 3 1.361 -7.570 -1.354 1.00 0.00 O ATOM 22 CB LEU A 3 3.799 -8.417 0.472 1.00 0.00 C ATOM 23 CG LEU A 3 5.192 -9.017 0.695 1.00 0.00 C ATOM 24 CD1 LEU A 3 6.033 -8.083 1.554 1.00 0.00 C ATOM 25 CD2 LEU A 3 5.059 -10.382 1.354 1.00 0.00 C ATOM 0 H LEU A 3 3.929 -8.454 -2.151 1.00 0.00 H new ATOM 0 HA LEU A 3 2.746 -10.203 -0.086 1.00 0.00 H new ATOM 0 HB2 LEU A 3 3.915 -7.403 0.089 1.00 0.00 H new ATOM 0 HB3 LEU A 3 3.297 -8.338 1.436 1.00 0.00 H new ATOM 0 HG LEU A 3 5.692 -9.139 -0.266 1.00 0.00 H new ATOM 0 HD11 LEU A 3 7.020 -8.519 1.706 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.135 -7.120 1.053 1.00 0.00 H new ATOM 0 HD13 LEU A 3 5.547 -7.940 2.519 1.00 0.00 H new ATOM 0 HD21 LEU A 3 6.050 -10.808 1.512 1.00 0.00 H new ATOM 0 HD22 LEU A 3 4.553 -10.275 2.313 1.00 0.00 H new ATOM 0 HD23 LEU A 3 4.479 -11.042 0.709 1.00 0.00 H new ATOM 37 N SER A 4 0.559 -9.039 0.148 1.00 0.00 N ATOM 38 CA SER A 4 -0.798 -8.508 0.109 1.00 0.00 C ATOM 39 C SER A 4 -1.212 -7.976 1.478 1.00 0.00 C ATOM 40 O SER A 4 -1.045 -8.649 2.495 1.00 0.00 O ATOM 41 CB SER A 4 -1.767 -9.575 -0.362 1.00 0.00 C ATOM 42 OG SER A 4 -3.094 -9.127 -0.344 1.00 0.00 O ATOM 0 H SER A 4 0.687 -9.820 0.791 1.00 0.00 H new ATOM 0 HA SER A 4 -0.822 -7.679 -0.598 1.00 0.00 H new ATOM 0 HB2 SER A 4 -1.503 -9.883 -1.374 1.00 0.00 H new ATOM 0 HB3 SER A 4 -1.673 -10.455 0.274 1.00 0.00 H new ATOM 0 HG SER A 4 -3.685 -9.843 -0.656 1.00 0.00 H new ATOM 48 N PHE A 5 -1.757 -6.764 1.495 1.00 0.00 N ATOM 49 CA PHE A 5 -2.197 -6.141 2.737 1.00 0.00 C ATOM 50 C PHE A 5 -3.564 -5.486 2.562 1.00 0.00 C ATOM 51 O PHE A 5 -3.779 -4.713 1.629 1.00 0.00 O ATOM 52 CB PHE A 5 -1.172 -5.108 3.212 1.00 0.00 C ATOM 53 CG PHE A 5 -1.499 -4.499 4.546 1.00 0.00 C ATOM 54 CD1 PHE A 5 -1.336 -5.226 5.716 1.00 0.00 C ATOM 55 CD2 PHE A 5 -1.972 -3.197 4.633 1.00 0.00 C ATOM 56 CE1 PHE A 5 -1.636 -4.666 6.942 1.00 0.00 C ATOM 57 CE2 PHE A 5 -2.272 -2.635 5.858 1.00 0.00 C ATOM 58 CZ PHE A 5 -2.103 -3.371 7.014 1.00 0.00 C ATOM 0 H PHE A 5 -1.904 -6.194 0.662 1.00 0.00 H new ATOM 0 HA PHE A 5 -2.284 -6.921 3.494 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -0.192 -5.582 3.270 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -1.099 -4.314 2.469 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -0.970 -6.241 5.668 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -2.107 -2.617 3.732 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -1.505 -5.243 7.845 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -2.639 -1.621 5.912 1.00 0.00 H new ATOM 0 HZ PHE A 5 -2.336 -2.933 7.973 1.00 0.00 H new ATOM 68 N HIS A 6 -4.485 -5.801 3.467 1.00 0.00 N ATOM 69 CA HIS A 6 -5.858 -5.322 3.360 1.00 0.00 C ATOM 70 C HIS A 6 -6.070 -4.083 4.226 1.00 0.00 C ATOM 71 O HIS A 6 -5.707 -4.065 5.402 1.00 0.00 O ATOM 72 CB HIS A 6 -6.849 -6.420 3.761 1.00 0.00 C ATOM 73 CG HIS A 6 -8.275 -5.964 3.786 1.00 0.00 C ATOM 74 ND1 HIS A 6 -9.004 -5.741 2.636 1.00 0.00 N ATOM 75 CD2 HIS A 6 -9.105 -5.687 4.818 1.00 0.00 C ATOM 76 CE1 HIS A 6 -10.224 -5.348 2.962 1.00 0.00 C ATOM 77 NE2 HIS A 6 -10.309 -5.307 4.280 1.00 0.00 N ATOM 0 H HIS A 6 -4.305 -6.386 4.283 1.00 0.00 H new ATOM 0 HA HIS A 6 -6.038 -5.053 2.319 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -6.755 -7.253 3.065 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -6.580 -6.797 4.748 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -8.865 -5.753 5.869 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -11.015 -5.103 2.269 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -11.136 -5.036 4.812 1.00 0.00 H new ATOM 84 N VAL A 7 -6.659 -3.047 3.635 1.00 0.00 N ATOM 85 CA VAL A 7 -6.891 -1.795 4.342 1.00 0.00 C ATOM 86 C VAL A 7 -8.374 -1.439 4.359 1.00 0.00 C ATOM 87 O VAL A 7 -9.020 -1.383 3.314 1.00 0.00 O ATOM 88 CB VAL A 7 -6.101 -0.634 3.709 1.00 0.00 C ATOM 89 CG1 VAL A 7 -6.349 0.658 4.473 1.00 0.00 C ATOM 90 CG2 VAL A 7 -4.615 -0.955 3.678 1.00 0.00 C ATOM 0 H VAL A 7 -6.984 -3.052 2.668 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.544 -1.942 5.365 1.00 0.00 H new ATOM 0 HB VAL A 7 -6.447 -0.501 2.684 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.783 1.468 4.012 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -7.412 0.898 4.447 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.030 0.536 5.508 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.073 -0.124 3.228 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -4.256 -1.114 4.695 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.450 -1.857 3.089 1.00 0.00 H new ATOM 100 N GLU A 8 -8.906 -1.199 5.554 1.00 0.00 N ATOM 101 CA GLU A 8 -10.312 -0.842 5.706 1.00 0.00 C ATOM 102 C GLU A 8 -10.572 0.574 5.200 1.00 0.00 C ATOM 103 O GLU A 8 -11.617 0.853 4.613 1.00 0.00 O ATOM 104 CB GLU A 8 -10.743 -0.969 7.169 1.00 0.00 C ATOM 105 CG GLU A 8 -10.924 -2.402 7.649 1.00 0.00 C ATOM 106 CD GLU A 8 -12.046 -3.085 6.918 1.00 0.00 C ATOM 107 OE1 GLU A 8 -13.119 -2.534 6.869 1.00 0.00 O ATOM 108 OE2 GLU A 8 -11.802 -4.103 6.314 1.00 0.00 O ATOM 0 H GLU A 8 -8.385 -1.245 6.430 1.00 0.00 H new ATOM 0 HA GLU A 8 -10.903 -1.534 5.106 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -10.000 -0.479 7.798 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -11.681 -0.431 7.307 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.998 -2.958 7.499 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -11.129 -2.406 8.720 1.00 0.00 H new ATOM 115 N ASP A 9 -9.613 1.463 5.431 1.00 0.00 N ATOM 116 CA ASP A 9 -9.775 2.870 5.085 1.00 0.00 C ATOM 117 C ASP A 9 -9.834 3.055 3.572 1.00 0.00 C ATOM 118 O ASP A 9 -10.280 4.090 3.079 1.00 0.00 O ATOM 119 CB ASP A 9 -8.635 3.704 5.676 1.00 0.00 C ATOM 120 CG ASP A 9 -8.716 3.904 7.183 1.00 0.00 C ATOM 121 OD1 ASP A 9 -9.744 3.608 7.747 1.00 0.00 O ATOM 122 OD2 ASP A 9 -7.707 4.198 7.779 1.00 0.00 O ATOM 0 H ASP A 9 -8.715 1.234 5.857 1.00 0.00 H new ATOM 0 HA ASP A 9 -10.717 3.215 5.510 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.687 3.222 5.436 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -8.627 4.681 5.192 1.00 0.00 H new ATOM 127 N MET A 10 -9.378 2.043 2.839 1.00 0.00 N ATOM 128 CA MET A 10 -9.492 2.040 1.386 1.00 0.00 C ATOM 129 C MET A 10 -10.929 1.764 0.954 1.00 0.00 C ATOM 130 O MET A 10 -11.460 0.677 1.187 1.00 0.00 O ATOM 131 CB MET A 10 -8.547 1.002 0.783 1.00 0.00 C ATOM 132 CG MET A 10 -7.076 1.390 0.826 1.00 0.00 C ATOM 133 SD MET A 10 -5.998 0.103 0.167 1.00 0.00 S ATOM 134 CE MET A 10 -6.412 0.172 -1.572 1.00 0.00 C ATOM 0 H MET A 10 -8.926 1.215 3.228 1.00 0.00 H new ATOM 0 HA MET A 10 -9.210 3.027 1.019 1.00 0.00 H new ATOM 0 HB2 MET A 10 -8.677 0.059 1.314 1.00 0.00 H new ATOM 0 HB3 MET A 10 -8.834 0.827 -0.254 1.00 0.00 H new ATOM 0 HG2 MET A 10 -6.930 2.308 0.257 1.00 0.00 H new ATOM 0 HG3 MET A 10 -6.791 1.605 1.856 1.00 0.00 H new ATOM 0 HE1 MET A 10 -5.545 -0.119 -2.164 1.00 0.00 H new ATOM 0 HE2 MET A 10 -7.237 -0.510 -1.777 1.00 0.00 H new ATOM 0 HE3 MET A 10 -6.707 1.188 -1.836 1.00 0.00 H new ATOM 144 N THR A 11 -11.554 2.754 0.323 1.00 0.00 N ATOM 145 CA THR A 11 -12.881 2.577 -0.251 1.00 0.00 C ATOM 146 C THR A 11 -12.967 3.195 -1.641 1.00 0.00 C ATOM 147 O THR A 11 -13.945 2.989 -2.363 1.00 0.00 O ATOM 148 CB THR A 11 -13.971 3.196 0.644 1.00 0.00 C ATOM 149 OG1 THR A 11 -13.743 4.606 0.772 1.00 0.00 O ATOM 150 CG2 THR A 11 -13.955 2.557 2.024 1.00 0.00 C ATOM 0 H THR A 11 -11.161 3.687 0.197 1.00 0.00 H new ATOM 0 HA THR A 11 -13.051 1.503 -0.324 1.00 0.00 H new ATOM 0 HB THR A 11 -14.943 3.017 0.184 1.00 0.00 H new ATOM 0 HG1 THR A 11 -14.438 4.999 1.340 1.00 0.00 H new ATOM 0 HG21 THR A 11 -14.732 3.007 2.642 1.00 0.00 H new ATOM 0 HG22 THR A 11 -14.139 1.487 1.932 1.00 0.00 H new ATOM 0 HG23 THR A 11 -12.982 2.719 2.489 1.00 0.00 H new ATOM 158 N CYS A 12 -11.940 3.951 -2.013 1.00 0.00 N ATOM 159 CA CYS A 12 -11.927 4.647 -3.293 1.00 0.00 C ATOM 160 C CYS A 12 -10.497 4.909 -3.755 1.00 0.00 C ATOM 161 O CYS A 12 -9.543 4.672 -3.017 1.00 0.00 O ATOM 162 CB CYS A 12 -12.640 5.961 -2.971 1.00 0.00 C ATOM 163 SG CYS A 12 -11.791 6.994 -1.753 1.00 0.00 S ATOM 0 H CYS A 12 -11.105 4.097 -1.445 1.00 0.00 H new ATOM 0 HA CYS A 12 -12.399 4.082 -4.096 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -12.759 6.531 -3.893 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -13.641 5.736 -2.604 1.00 0.00 H new ATOM 0 HG CYS A 12 -10.945 6.269 -1.084 1.00 0.00 H new ATOM 169 N GLY A 13 -10.358 5.399 -4.985 1.00 0.00 N ATOM 170 CA GLY A 13 -9.042 5.557 -5.575 1.00 0.00 C ATOM 171 C GLY A 13 -8.208 6.604 -4.861 1.00 0.00 C ATOM 172 O GLY A 13 -6.994 6.675 -5.050 1.00 0.00 O ATOM 0 H GLY A 13 -11.133 5.689 -5.582 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -8.519 4.601 -5.550 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -9.148 5.835 -6.624 1.00 0.00 H new ATOM 176 N HIS A 14 -8.863 7.420 -4.040 1.00 0.00 N ATOM 177 CA HIS A 14 -8.176 8.479 -3.310 1.00 0.00 C ATOM 178 C HIS A 14 -7.343 7.900 -2.168 1.00 0.00 C ATOM 179 O HIS A 14 -6.486 8.583 -1.606 1.00 0.00 O ATOM 180 CB HIS A 14 -9.180 9.500 -2.765 1.00 0.00 C ATOM 181 CG HIS A 14 -9.882 10.283 -3.830 1.00 0.00 C ATOM 182 ND1 HIS A 14 -9.259 11.279 -4.553 1.00 0.00 N ATOM 183 CD2 HIS A 14 -11.151 10.217 -4.296 1.00 0.00 C ATOM 184 CE1 HIS A 14 -10.118 11.791 -5.419 1.00 0.00 C ATOM 185 NE2 HIS A 14 -11.271 11.164 -5.282 1.00 0.00 N ATOM 0 H HIS A 14 -9.866 7.368 -3.864 1.00 0.00 H new ATOM 0 HA HIS A 14 -7.506 8.985 -4.005 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -9.923 8.979 -2.161 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -8.658 10.191 -2.103 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -11.925 9.545 -3.956 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -9.911 12.587 -6.119 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -12.115 11.353 -5.822 1.00 0.00 H new ATOM 192 N CYS A 15 -7.601 6.641 -1.835 1.00 0.00 N ATOM 193 CA CYS A 15 -6.804 5.937 -0.837 1.00 0.00 C ATOM 194 C CYS A 15 -5.694 5.128 -1.500 1.00 0.00 C ATOM 195 O CYS A 15 -4.552 5.130 -1.043 1.00 0.00 O ATOM 196 CB CYS A 15 -7.827 5.013 -0.177 1.00 0.00 C ATOM 197 SG CYS A 15 -9.203 5.868 0.626 1.00 0.00 S ATOM 0 H CYS A 15 -8.355 6.087 -2.241 1.00 0.00 H new ATOM 0 HA CYS A 15 -6.305 6.604 -0.134 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -8.227 4.337 -0.932 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -7.317 4.397 0.564 1.00 0.00 H new ATOM 0 HG CYS A 15 -8.802 6.371 1.756 1.00 0.00 H new ATOM 203 N ALA A 16 -6.040 4.435 -2.581 1.00 0.00 N ATOM 204 CA ALA A 16 -5.079 3.599 -3.291 1.00 0.00 C ATOM 205 C ALA A 16 -3.933 4.433 -3.853 1.00 0.00 C ATOM 206 O ALA A 16 -2.772 4.031 -3.795 1.00 0.00 O ATOM 207 CB ALA A 16 -5.773 2.832 -4.408 1.00 0.00 C ATOM 0 H ALA A 16 -6.977 4.436 -2.983 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.659 2.887 -2.580 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.045 2.212 -4.930 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -6.552 2.198 -3.985 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -6.220 3.536 -5.110 1.00 0.00 H new ATOM 213 N GLY A 17 -4.267 5.600 -4.397 1.00 0.00 N ATOM 214 CA GLY A 17 -3.263 6.448 -5.010 1.00 0.00 C ATOM 215 C GLY A 17 -2.244 6.956 -4.010 1.00 0.00 C ATOM 216 O GLY A 17 -1.045 6.968 -4.285 1.00 0.00 O ATOM 0 H GLY A 17 -5.216 5.973 -4.424 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.751 5.891 -5.794 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -3.752 7.296 -5.489 1.00 0.00 H new ATOM 220 N VAL A 18 -2.722 7.378 -2.843 1.00 0.00 N ATOM 221 CA VAL A 18 -1.850 7.927 -1.813 1.00 0.00 C ATOM 222 C VAL A 18 -0.907 6.862 -1.264 1.00 0.00 C ATOM 223 O VAL A 18 0.281 7.115 -1.059 1.00 0.00 O ATOM 224 CB VAL A 18 -2.659 8.532 -0.650 1.00 0.00 C ATOM 225 CG1 VAL A 18 -1.734 8.949 0.483 1.00 0.00 C ATOM 226 CG2 VAL A 18 -3.478 9.720 -1.132 1.00 0.00 C ATOM 0 H VAL A 18 -3.709 7.350 -2.588 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.265 8.717 -2.285 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.343 7.771 -0.274 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.323 9.374 1.296 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.189 8.078 0.847 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.026 9.694 0.119 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.043 10.135 -0.297 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.811 10.483 -1.534 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.168 9.395 -1.911 1.00 0.00 H new ATOM 236 N ILE A 19 -1.445 5.671 -1.029 1.00 0.00 N ATOM 237 CA ILE A 19 -0.650 4.562 -0.513 1.00 0.00 C ATOM 238 C ILE A 19 0.458 4.179 -1.490 1.00 0.00 C ATOM 239 O ILE A 19 1.606 3.981 -1.095 1.00 0.00 O ATOM 240 CB ILE A 19 -1.522 3.326 -0.228 1.00 0.00 C ATOM 241 CG1 ILE A 19 -2.473 3.600 0.939 1.00 0.00 C ATOM 242 CG2 ILE A 19 -0.649 2.115 0.065 1.00 0.00 C ATOM 243 CD1 ILE A 19 -3.554 2.557 1.105 1.00 0.00 C ATOM 0 H ILE A 19 -2.428 5.448 -1.187 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.204 4.902 0.422 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.119 3.112 -1.114 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.894 3.659 1.861 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.940 4.574 0.793 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.282 1.250 0.264 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -0.013 1.909 -0.795 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.026 2.318 0.936 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.187 2.821 1.952 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.159 2.513 0.199 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.096 1.584 1.283 1.00 0.00 H new ATOM 255 N LYS A 20 0.105 4.078 -2.766 1.00 0.00 N ATOM 256 CA LYS A 20 1.073 3.746 -3.804 1.00 0.00 C ATOM 257 C LYS A 20 2.187 4.787 -3.861 1.00 0.00 C ATOM 258 O LYS A 20 3.362 4.447 -3.984 1.00 0.00 O ATOM 259 CB LYS A 20 0.383 3.633 -5.164 1.00 0.00 C ATOM 260 CG LYS A 20 1.328 3.359 -6.327 1.00 0.00 C ATOM 261 CD LYS A 20 0.561 2.982 -7.586 1.00 0.00 C ATOM 262 CE LYS A 20 1.483 2.902 -8.793 1.00 0.00 C ATOM 263 NZ LYS A 20 2.552 1.882 -8.609 1.00 0.00 N ATOM 0 H LYS A 20 -0.846 4.221 -3.107 1.00 0.00 H new ATOM 0 HA LYS A 20 1.517 2.782 -3.557 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.357 2.834 -5.117 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.158 4.558 -5.361 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.936 4.243 -6.520 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.012 2.553 -6.060 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.067 2.022 -7.439 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.221 3.718 -7.772 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.899 2.659 -9.681 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.938 3.877 -8.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 3.085 1.774 -9.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.197 2.187 -7.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.122 0.971 -8.351 1.00 0.00 H new ATOM 277 N GLY A 21 1.807 6.059 -3.771 1.00 0.00 N ATOM 278 CA GLY A 21 2.788 7.128 -3.776 1.00 0.00 C ATOM 279 C GLY A 21 3.708 7.076 -2.570 1.00 0.00 C ATOM 280 O GLY A 21 4.910 7.307 -2.688 1.00 0.00 O ATOM 0 H GLY A 21 0.838 6.367 -3.695 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.384 7.066 -4.687 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.274 8.089 -3.796 1.00 0.00 H new ATOM 284 N ALA A 22 3.140 6.772 -1.408 1.00 0.00 N ATOM 285 CA ALA A 22 3.916 6.695 -0.176 1.00 0.00 C ATOM 286 C ALA A 22 4.938 5.564 -0.242 1.00 0.00 C ATOM 287 O ALA A 22 6.079 5.722 0.192 1.00 0.00 O ATOM 288 CB ALA A 22 2.992 6.506 1.018 1.00 0.00 C ATOM 0 H ALA A 22 2.146 6.575 -1.294 1.00 0.00 H new ATOM 0 HA ALA A 22 4.458 7.633 -0.057 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.584 6.450 1.931 1.00 0.00 H new ATOM 0 HB2 ALA A 22 2.304 7.349 1.083 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.425 5.583 0.897 1.00 0.00 H new ATOM 294 N ILE A 23 4.518 4.425 -0.784 1.00 0.00 N ATOM 295 CA ILE A 23 5.397 3.267 -0.900 1.00 0.00 C ATOM 296 C ILE A 23 6.559 3.550 -1.846 1.00 0.00 C ATOM 297 O ILE A 23 7.712 3.255 -1.532 1.00 0.00 O ATOM 298 CB ILE A 23 4.632 2.026 -1.396 1.00 0.00 C ATOM 299 CG1 ILE A 23 3.627 1.560 -0.338 1.00 0.00 C ATOM 300 CG2 ILE A 23 5.602 0.907 -1.744 1.00 0.00 C ATOM 301 CD1 ILE A 23 2.641 0.531 -0.845 1.00 0.00 C ATOM 0 H ILE A 23 3.577 4.279 -1.149 1.00 0.00 H new ATOM 0 HA ILE A 23 5.787 3.066 0.098 1.00 0.00 H new ATOM 0 HB ILE A 23 4.082 2.295 -2.298 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.172 1.142 0.508 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.077 2.425 0.033 1.00 0.00 H new ATOM 0 HG21 ILE A 23 5.045 0.038 -2.093 1.00 0.00 H new ATOM 0 HG22 ILE A 23 6.279 1.243 -2.530 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.179 0.637 -0.859 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.962 0.250 -0.040 1.00 0.00 H new ATOM 0 HD12 ILE A 23 2.069 0.952 -1.672 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.181 -0.351 -1.189 1.00 0.00 H new ATOM 313 N GLU A 24 6.246 4.124 -3.004 1.00 0.00 N ATOM 314 CA GLU A 24 7.265 4.450 -3.994 1.00 0.00 C ATOM 315 C GLU A 24 8.217 5.520 -3.462 1.00 0.00 C ATOM 316 O GLU A 24 9.416 5.490 -3.736 1.00 0.00 O ATOM 317 CB GLU A 24 6.617 4.922 -5.297 1.00 0.00 C ATOM 318 CG GLU A 24 7.604 5.217 -6.418 1.00 0.00 C ATOM 319 CD GLU A 24 8.329 3.973 -6.849 1.00 0.00 C ATOM 320 OE1 GLU A 24 7.923 2.906 -6.457 1.00 0.00 O ATOM 321 OE2 GLU A 24 9.219 4.078 -7.660 1.00 0.00 O ATOM 0 H GLU A 24 5.296 4.372 -3.279 1.00 0.00 H new ATOM 0 HA GLU A 24 7.840 3.546 -4.196 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.916 4.160 -5.637 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.036 5.822 -5.095 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.074 5.645 -7.269 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.325 5.963 -6.084 1.00 0.00 H new ATOM 328 N LYS A 25 7.673 6.462 -2.699 1.00 0.00 N ATOM 329 CA LYS A 25 8.465 7.559 -2.155 1.00 0.00 C ATOM 330 C LYS A 25 9.534 7.036 -1.201 1.00 0.00 C ATOM 331 O LYS A 25 10.684 7.475 -1.239 1.00 0.00 O ATOM 332 CB LYS A 25 7.565 8.567 -1.439 1.00 0.00 C ATOM 333 CG LYS A 25 8.299 9.780 -0.882 1.00 0.00 C ATOM 334 CD LYS A 25 7.329 10.789 -0.285 1.00 0.00 C ATOM 335 CE LYS A 25 8.064 11.985 0.301 1.00 0.00 C ATOM 336 NZ LYS A 25 7.128 12.968 0.911 1.00 0.00 N ATOM 0 H LYS A 25 6.686 6.488 -2.443 1.00 0.00 H new ATOM 0 HA LYS A 25 8.961 8.061 -2.985 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.798 8.909 -2.134 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.052 8.061 -0.621 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.008 9.459 -0.119 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.877 10.254 -1.676 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.635 11.128 -1.054 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.734 10.309 0.492 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.772 11.642 1.055 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.644 12.474 -0.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.668 13.768 1.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.468 13.315 0.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.592 12.509 1.675 1.00 0.00 H new ATOM 350 N THR A 26 9.148 6.095 -0.345 1.00 0.00 N ATOM 351 CA THR A 26 10.064 5.540 0.643 1.00 0.00 C ATOM 352 C THR A 26 10.797 4.323 0.091 1.00 0.00 C ATOM 353 O THR A 26 11.879 3.972 0.563 1.00 0.00 O ATOM 354 CB THR A 26 9.326 5.141 1.934 1.00 0.00 C ATOM 355 OG1 THR A 26 8.365 4.118 1.643 1.00 0.00 O ATOM 356 CG2 THR A 26 8.614 6.343 2.536 1.00 0.00 C ATOM 0 H THR A 26 8.207 5.702 -0.316 1.00 0.00 H new ATOM 0 HA THR A 26 10.788 6.321 0.876 1.00 0.00 H new ATOM 0 HB THR A 26 10.058 4.768 2.651 1.00 0.00 H new ATOM 0 HG1 THR A 26 7.603 4.511 1.169 1.00 0.00 H new ATOM 0 HG21 THR A 26 8.098 6.041 3.448 1.00 0.00 H new ATOM 0 HG22 THR A 26 9.344 7.118 2.771 1.00 0.00 H new ATOM 0 HG23 THR A 26 7.889 6.732 1.821 1.00 0.00 H new ATOM 364 N VAL A 27 10.202 3.683 -0.910 1.00 0.00 N ATOM 365 CA VAL A 27 10.838 2.556 -1.582 1.00 0.00 C ATOM 366 C VAL A 27 10.788 2.720 -3.096 1.00 0.00 C ATOM 367 O VAL A 27 9.931 2.159 -3.779 1.00 0.00 O ATOM 368 CB VAL A 27 10.172 1.220 -1.198 1.00 0.00 C ATOM 369 CG1 VAL A 27 10.975 0.049 -1.746 1.00 0.00 C ATOM 370 CG2 VAL A 27 10.035 1.109 0.313 1.00 0.00 C ATOM 0 H VAL A 27 9.280 3.926 -1.274 1.00 0.00 H new ATOM 0 HA VAL A 27 11.878 2.540 -1.255 1.00 0.00 H new ATOM 0 HB VAL A 27 9.175 1.192 -1.638 1.00 0.00 H new ATOM 0 HG11 VAL A 27 10.491 -0.887 -1.466 1.00 0.00 H new ATOM 0 HG12 VAL A 27 11.027 0.120 -2.832 1.00 0.00 H new ATOM 0 HG13 VAL A 27 11.983 0.074 -1.333 1.00 0.00 H new ATOM 0 HG21 VAL A 27 9.563 0.160 0.567 1.00 0.00 H new ATOM 0 HG22 VAL A 27 11.022 1.157 0.772 1.00 0.00 H new ATOM 0 HG23 VAL A 27 9.422 1.930 0.684 1.00 0.00 H new ATOM 380 N PRO A 28 11.730 3.507 -3.636 1.00 0.00 N ATOM 381 CA PRO A 28 11.790 3.797 -5.073 1.00 0.00 C ATOM 382 C PRO A 28 12.151 2.568 -5.899 1.00 0.00 C ATOM 383 O PRO A 28 13.038 1.799 -5.530 1.00 0.00 O ATOM 384 CB PRO A 28 12.859 4.890 -5.183 1.00 0.00 C ATOM 385 CG PRO A 28 13.701 4.711 -3.966 1.00 0.00 C ATOM 386 CD PRO A 28 12.751 4.268 -2.885 1.00 0.00 C ATOM 0 HA PRO A 28 10.824 4.112 -5.468 1.00 0.00 H new ATOM 0 HB2 PRO A 28 13.448 4.779 -6.093 1.00 0.00 H new ATOM 0 HB3 PRO A 28 12.410 5.883 -5.213 1.00 0.00 H new ATOM 0 HG2 PRO A 28 14.480 3.968 -4.133 1.00 0.00 H new ATOM 0 HG3 PRO A 28 14.201 5.641 -3.693 1.00 0.00 H new ATOM 0 HD2 PRO A 28 13.249 3.649 -2.138 1.00 0.00 H new ATOM 0 HD3 PRO A 28 12.316 5.116 -2.357 1.00 0.00 H new ATOM 394 N GLY A 29 11.457 2.388 -7.018 1.00 0.00 N ATOM 395 CA GLY A 29 11.720 1.249 -7.880 1.00 0.00 C ATOM 396 C GLY A 29 10.786 0.086 -7.606 1.00 0.00 C ATOM 397 O GLY A 29 10.759 -0.886 -8.358 1.00 0.00 O ATOM 0 H GLY A 29 10.717 3.010 -7.344 1.00 0.00 H new ATOM 0 HA2 GLY A 29 11.619 1.555 -8.921 1.00 0.00 H new ATOM 0 HA3 GLY A 29 12.751 0.923 -7.742 1.00 0.00 H new ATOM 401 N ALA A 30 10.021 0.187 -6.524 1.00 0.00 N ATOM 402 CA ALA A 30 9.097 -0.873 -6.140 1.00 0.00 C ATOM 403 C ALA A 30 7.868 -0.883 -7.043 1.00 0.00 C ATOM 404 O ALA A 30 7.385 0.169 -7.460 1.00 0.00 O ATOM 405 CB ALA A 30 8.686 -0.713 -4.685 1.00 0.00 C ATOM 0 H ALA A 30 10.023 0.992 -5.898 1.00 0.00 H new ATOM 0 HA ALA A 30 9.609 -1.828 -6.257 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.996 -1.511 -4.412 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.570 -0.764 -4.049 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.197 0.252 -4.549 1.00 0.00 H new ATOM 411 N ALA A 31 7.368 -2.077 -7.341 1.00 0.00 N ATOM 412 CA ALA A 31 6.131 -2.220 -8.098 1.00 0.00 C ATOM 413 C ALA A 31 4.931 -2.364 -7.168 1.00 0.00 C ATOM 414 O ALA A 31 4.846 -3.314 -6.390 1.00 0.00 O ATOM 415 CB ALA A 31 6.220 -3.415 -9.036 1.00 0.00 C ATOM 0 H ALA A 31 7.801 -2.960 -7.070 1.00 0.00 H new ATOM 0 HA ALA A 31 5.992 -1.316 -8.691 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.289 -3.509 -9.595 1.00 0.00 H new ATOM 0 HB2 ALA A 31 7.047 -3.271 -9.731 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.388 -4.322 -8.455 1.00 0.00 H new ATOM 421 N VAL A 32 4.004 -1.413 -7.253 1.00 0.00 N ATOM 422 CA VAL A 32 2.842 -1.399 -6.372 1.00 0.00 C ATOM 423 C VAL A 32 1.547 -1.494 -7.169 1.00 0.00 C ATOM 424 O VAL A 32 1.281 -0.669 -8.045 1.00 0.00 O ATOM 425 CB VAL A 32 2.807 -0.126 -5.504 1.00 0.00 C ATOM 426 CG1 VAL A 32 1.583 -0.131 -4.602 1.00 0.00 C ATOM 427 CG2 VAL A 32 4.078 -0.011 -4.676 1.00 0.00 C ATOM 0 H VAL A 32 4.036 -0.644 -7.922 1.00 0.00 H new ATOM 0 HA VAL A 32 2.930 -2.269 -5.721 1.00 0.00 H new ATOM 0 HB VAL A 32 2.746 0.740 -6.164 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.574 0.775 -3.996 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.681 -0.168 -5.213 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.615 -1.004 -3.950 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.036 0.894 -4.069 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.168 -0.881 -4.025 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.941 0.037 -5.340 1.00 0.00 H new ATOM 437 N HIS A 33 0.743 -2.507 -6.864 1.00 0.00 N ATOM 438 CA HIS A 33 -0.579 -2.644 -7.464 1.00 0.00 C ATOM 439 C HIS A 33 -1.671 -2.540 -6.404 1.00 0.00 C ATOM 440 O HIS A 33 -1.877 -3.466 -5.619 1.00 0.00 O ATOM 441 CB HIS A 33 -0.699 -3.973 -8.215 1.00 0.00 C ATOM 442 CG HIS A 33 0.350 -4.169 -9.264 1.00 0.00 C ATOM 443 ND1 HIS A 33 0.285 -3.567 -10.503 1.00 0.00 N ATOM 444 CD2 HIS A 33 1.491 -4.899 -9.260 1.00 0.00 C ATOM 445 CE1 HIS A 33 1.341 -3.919 -11.216 1.00 0.00 C ATOM 446 NE2 HIS A 33 2.088 -4.726 -10.484 1.00 0.00 N ATOM 0 H HIS A 33 0.984 -3.246 -6.204 1.00 0.00 H new ATOM 0 HA HIS A 33 -0.709 -1.829 -8.176 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -0.640 -4.792 -7.498 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -1.682 -4.028 -8.682 1.00 0.00 H new ATOM 0 HD2 HIS A 33 1.862 -5.504 -8.446 1.00 0.00 H new ATOM 0 HE1 HIS A 33 1.556 -3.601 -12.225 1.00 0.00 H new ATOM 0 HE2 HIS A 33 2.966 -5.152 -10.780 1.00 0.00 H new ATOM 453 N ALA A 34 -2.366 -1.408 -6.385 1.00 0.00 N ATOM 454 CA ALA A 34 -3.375 -1.147 -5.365 1.00 0.00 C ATOM 455 C ALA A 34 -4.780 -1.204 -5.957 1.00 0.00 C ATOM 456 O ALA A 34 -5.024 -0.693 -7.050 1.00 0.00 O ATOM 457 CB ALA A 34 -3.129 0.204 -4.713 1.00 0.00 C ATOM 0 H ALA A 34 -2.249 -0.656 -7.064 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.297 -1.924 -4.604 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.890 0.385 -3.954 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.143 0.209 -4.248 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.177 0.987 -5.469 1.00 0.00 H new ATOM 463 N ASP A 35 -5.699 -1.826 -5.227 1.00 0.00 N ATOM 464 CA ASP A 35 -7.074 -1.973 -5.693 1.00 0.00 C ATOM 465 C ASP A 35 -8.061 -1.538 -4.615 1.00 0.00 C ATOM 466 O ASP A 35 -8.287 -2.235 -3.627 1.00 0.00 O ATOM 467 CB ASP A 35 -7.349 -3.420 -6.108 1.00 0.00 C ATOM 468 CG ASP A 35 -8.763 -3.671 -6.614 1.00 0.00 C ATOM 469 OD1 ASP A 35 -9.572 -2.778 -6.524 1.00 0.00 O ATOM 470 OD2 ASP A 35 -8.982 -4.690 -7.225 1.00 0.00 O ATOM 0 H ASP A 35 -5.518 -2.236 -4.311 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.207 -1.329 -6.562 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -6.642 -3.702 -6.888 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -7.160 -4.072 -5.255 1.00 0.00 H new ATOM 475 N PRO A 36 -8.663 -0.354 -4.807 1.00 0.00 N ATOM 476 CA PRO A 36 -9.597 0.225 -3.837 1.00 0.00 C ATOM 477 C PRO A 36 -10.968 -0.441 -3.883 1.00 0.00 C ATOM 478 O PRO A 36 -11.712 -0.421 -2.904 1.00 0.00 O ATOM 479 CB PRO A 36 -9.700 1.689 -4.274 1.00 0.00 C ATOM 480 CG PRO A 36 -9.409 1.669 -5.735 1.00 0.00 C ATOM 481 CD PRO A 36 -8.391 0.582 -5.940 1.00 0.00 C ATOM 0 HA PRO A 36 -9.252 0.095 -2.811 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -10.692 2.093 -4.073 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -8.987 2.314 -3.737 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -10.313 1.470 -6.310 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -9.024 2.632 -6.069 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -8.513 0.092 -6.906 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -7.373 0.971 -5.906 1.00 0.00 H new ATOM 489 N ALA A 37 -11.296 -1.032 -5.028 1.00 0.00 N ATOM 490 CA ALA A 37 -12.499 -1.846 -5.151 1.00 0.00 C ATOM 491 C ALA A 37 -12.380 -3.127 -4.331 1.00 0.00 C ATOM 492 O ALA A 37 -13.361 -3.604 -3.761 1.00 0.00 O ATOM 493 CB ALA A 37 -12.768 -2.175 -6.611 1.00 0.00 C ATOM 0 H ALA A 37 -10.745 -0.962 -5.884 1.00 0.00 H new ATOM 0 HA ALA A 37 -13.338 -1.271 -4.760 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -13.669 -2.783 -6.687 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -12.905 -1.251 -7.173 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -11.922 -2.727 -7.021 1.00 0.00 H new ATOM 499 N SER A 38 -11.172 -3.679 -4.275 1.00 0.00 N ATOM 500 CA SER A 38 -10.897 -4.833 -3.429 1.00 0.00 C ATOM 501 C SER A 38 -10.332 -4.397 -2.081 1.00 0.00 C ATOM 502 O SER A 38 -10.139 -5.214 -1.181 1.00 0.00 O ATOM 503 CB SER A 38 -9.938 -5.778 -4.127 1.00 0.00 C ATOM 504 OG SER A 38 -10.462 -6.267 -5.330 1.00 0.00 O ATOM 0 H SER A 38 -10.368 -3.345 -4.806 1.00 0.00 H new ATOM 0 HA SER A 38 -11.835 -5.357 -3.248 1.00 0.00 H new ATOM 0 HB2 SER A 38 -8.999 -5.260 -4.325 1.00 0.00 H new ATOM 0 HB3 SER A 38 -9.708 -6.614 -3.466 1.00 0.00 H new ATOM 0 HG SER A 38 -9.983 -5.864 -6.084 1.00 0.00 H new ATOM 510 N ARG A 39 -10.069 -3.100 -1.949 1.00 0.00 N ATOM 511 CA ARG A 39 -9.607 -2.539 -0.685 1.00 0.00 C ATOM 512 C ARG A 39 -8.296 -3.185 -0.250 1.00 0.00 C ATOM 513 O ARG A 39 -8.022 -3.318 0.943 1.00 0.00 O ATOM 514 CB ARG A 39 -10.665 -2.629 0.404 1.00 0.00 C ATOM 515 CG ARG A 39 -12.056 -2.180 -0.015 1.00 0.00 C ATOM 516 CD ARG A 39 -13.122 -2.483 0.974 1.00 0.00 C ATOM 517 NE ARG A 39 -13.027 -1.727 2.213 1.00 0.00 N ATOM 518 CZ ARG A 39 -13.616 -2.081 3.372 1.00 0.00 C ATOM 519 NH1 ARG A 39 -14.372 -3.154 3.447 1.00 0.00 N ATOM 520 NH2 ARG A 39 -13.432 -1.308 4.428 1.00 0.00 N ATOM 0 H ARG A 39 -10.168 -2.419 -2.702 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.420 -1.478 -0.849 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -10.721 -3.661 0.751 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -10.344 -2.025 1.252 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -12.039 -1.105 -0.195 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -12.309 -2.658 -0.962 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -14.091 -2.286 0.516 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -13.091 -3.547 1.209 1.00 0.00 H new ATOM 0 HE ARG A 39 -12.476 -0.869 2.204 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -14.520 -3.732 2.620 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -14.811 -3.408 4.332 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -12.857 -0.469 4.352 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -13.865 -1.550 5.319 1.00 0.00 H new ATOM 534 N THR A 40 -7.486 -3.586 -1.227 1.00 0.00 N ATOM 535 CA THR A 40 -6.292 -4.373 -0.954 1.00 0.00 C ATOM 536 C THR A 40 -5.094 -3.843 -1.733 1.00 0.00 C ATOM 537 O THR A 40 -5.222 -3.441 -2.890 1.00 0.00 O ATOM 538 CB THR A 40 -6.503 -5.859 -1.301 1.00 0.00 C ATOM 539 OG1 THR A 40 -7.611 -6.375 -0.552 1.00 0.00 O ATOM 540 CG2 THR A 40 -5.255 -6.666 -0.974 1.00 0.00 C ATOM 0 H THR A 40 -7.637 -3.378 -2.214 1.00 0.00 H new ATOM 0 HA THR A 40 -6.094 -4.285 0.114 1.00 0.00 H new ATOM 0 HB THR A 40 -6.707 -5.941 -2.369 1.00 0.00 H new ATOM 0 HG1 THR A 40 -8.436 -5.933 -0.842 1.00 0.00 H new ATOM 0 HG21 THR A 40 -5.423 -7.713 -1.226 1.00 0.00 H new ATOM 0 HG22 THR A 40 -4.413 -6.284 -1.552 1.00 0.00 H new ATOM 0 HG23 THR A 40 -5.034 -6.579 0.090 1.00 0.00 H new ATOM 548 N VAL A 41 -3.928 -3.844 -1.093 1.00 0.00 N ATOM 549 CA VAL A 41 -2.700 -3.400 -1.741 1.00 0.00 C ATOM 550 C VAL A 41 -1.726 -4.558 -1.926 1.00 0.00 C ATOM 551 O VAL A 41 -1.413 -5.278 -0.977 1.00 0.00 O ATOM 552 CB VAL A 41 -2.010 -2.283 -0.937 1.00 0.00 C ATOM 553 CG1 VAL A 41 -0.729 -1.841 -1.629 1.00 0.00 C ATOM 554 CG2 VAL A 41 -2.948 -1.100 -0.751 1.00 0.00 C ATOM 0 H VAL A 41 -3.809 -4.147 -0.127 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.983 -3.009 -2.718 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.754 -2.677 0.046 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.255 -1.051 -1.047 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.049 -2.689 -1.712 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.964 -1.466 -2.625 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.442 -0.321 -0.180 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.236 -0.707 -1.726 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.839 -1.423 -0.213 1.00 0.00 H new ATOM 564 N VAL A 42 -1.249 -4.733 -3.154 1.00 0.00 N ATOM 565 CA VAL A 42 -0.239 -5.742 -3.446 1.00 0.00 C ATOM 566 C VAL A 42 1.093 -5.099 -3.813 1.00 0.00 C ATOM 567 O VAL A 42 1.166 -4.276 -4.726 1.00 0.00 O ATOM 568 CB VAL A 42 -0.683 -6.671 -4.591 1.00 0.00 C ATOM 569 CG1 VAL A 42 0.404 -7.689 -4.904 1.00 0.00 C ATOM 570 CG2 VAL A 42 -1.983 -7.375 -4.234 1.00 0.00 C ATOM 0 H VAL A 42 -1.546 -4.188 -3.963 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.115 -6.333 -2.539 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.853 -6.063 -5.480 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.073 -8.337 -5.715 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.314 -7.169 -5.203 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.605 -8.291 -4.018 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.281 -8.027 -5.055 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.839 -7.970 -3.332 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.762 -6.633 -4.059 1.00 0.00 H new ATOM 580 N VAL A 43 2.146 -5.478 -3.096 1.00 0.00 N ATOM 581 CA VAL A 43 3.449 -4.842 -3.253 1.00 0.00 C ATOM 582 C VAL A 43 4.512 -5.859 -3.646 1.00 0.00 C ATOM 583 O VAL A 43 4.589 -6.946 -3.075 1.00 0.00 O ATOM 584 CB VAL A 43 3.888 -4.125 -1.962 1.00 0.00 C ATOM 585 CG1 VAL A 43 5.230 -3.439 -2.165 1.00 0.00 C ATOM 586 CG2 VAL A 43 2.835 -3.117 -1.527 1.00 0.00 C ATOM 0 H VAL A 43 2.122 -6.223 -2.400 1.00 0.00 H new ATOM 0 HA VAL A 43 3.345 -4.104 -4.048 1.00 0.00 H new ATOM 0 HB VAL A 43 3.997 -4.870 -1.174 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.525 -2.937 -1.243 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.982 -4.182 -2.431 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.146 -2.705 -2.967 1.00 0.00 H new ATOM 0 HG21 VAL A 43 3.162 -2.620 -0.614 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.695 -2.375 -2.313 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.892 -3.632 -1.342 1.00 0.00 H new ATOM 596 N GLY A 44 5.335 -5.499 -4.627 1.00 0.00 N ATOM 597 CA GLY A 44 6.400 -6.381 -5.064 1.00 0.00 C ATOM 598 C GLY A 44 7.516 -6.493 -4.045 1.00 0.00 C ATOM 599 O GLY A 44 7.321 -6.202 -2.865 1.00 0.00 O ATOM 0 H GLY A 44 5.282 -4.611 -5.127 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.990 -7.372 -5.259 1.00 0.00 H new ATOM 0 HA3 GLY A 44 6.808 -6.014 -6.006 1.00 0.00 H new ATOM 603 N GLY A 45 8.692 -6.918 -4.499 1.00 0.00 N ATOM 604 CA GLY A 45 9.786 -7.190 -3.585 1.00 0.00 C ATOM 605 C GLY A 45 10.115 -6.002 -2.703 1.00 0.00 C ATOM 606 O GLY A 45 10.565 -4.964 -3.191 1.00 0.00 O ATOM 0 H GLY A 45 8.906 -7.079 -5.483 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.528 -8.043 -2.958 1.00 0.00 H new ATOM 0 HA3 GLY A 45 10.671 -7.470 -4.156 1.00 0.00 H new ATOM 610 N VAL A 46 9.890 -6.152 -1.402 1.00 0.00 N ATOM 611 CA VAL A 46 10.196 -5.093 -0.447 1.00 0.00 C ATOM 612 C VAL A 46 10.704 -5.672 0.870 1.00 0.00 C ATOM 613 O VAL A 46 10.727 -6.888 1.057 1.00 0.00 O ATOM 614 CB VAL A 46 8.965 -4.210 -0.169 1.00 0.00 C ATOM 615 CG1 VAL A 46 8.592 -3.411 -1.409 1.00 0.00 C ATOM 616 CG2 VAL A 46 7.790 -5.062 0.287 1.00 0.00 C ATOM 0 H VAL A 46 9.497 -6.996 -0.985 1.00 0.00 H new ATOM 0 HA VAL A 46 10.976 -4.479 -0.896 1.00 0.00 H new ATOM 0 HB VAL A 46 9.216 -3.512 0.630 1.00 0.00 H new ATOM 0 HG11 VAL A 46 7.720 -2.793 -1.195 1.00 0.00 H new ATOM 0 HG12 VAL A 46 9.428 -2.773 -1.696 1.00 0.00 H new ATOM 0 HG13 VAL A 46 8.360 -4.094 -2.226 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.929 -4.422 0.479 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.540 -5.783 -0.491 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.058 -5.593 1.201 1.00 0.00 H new ATOM 626 N SER A 47 11.110 -4.791 1.779 1.00 0.00 N ATOM 627 CA SER A 47 11.547 -5.210 3.105 1.00 0.00 C ATOM 628 C SER A 47 10.425 -5.931 3.845 1.00 0.00 C ATOM 629 O SER A 47 9.326 -6.097 3.318 1.00 0.00 O ATOM 630 CB SER A 47 12.023 -4.012 3.903 1.00 0.00 C ATOM 631 OG SER A 47 10.978 -3.128 4.200 1.00 0.00 O ATOM 0 H SER A 47 11.145 -3.784 1.621 1.00 0.00 H new ATOM 0 HA SER A 47 12.377 -5.906 2.988 1.00 0.00 H new ATOM 0 HB2 SER A 47 12.483 -4.354 4.830 1.00 0.00 H new ATOM 0 HB3 SER A 47 12.794 -3.485 3.341 1.00 0.00 H new ATOM 0 HG SER A 47 11.326 -2.371 4.716 1.00 0.00 H new ATOM 637 N ASP A 48 10.711 -6.357 5.071 1.00 0.00 N ATOM 638 CA ASP A 48 9.804 -7.226 5.811 1.00 0.00 C ATOM 639 C ASP A 48 8.355 -6.793 5.609 1.00 0.00 C ATOM 640 O ASP A 48 8.052 -5.601 5.570 1.00 0.00 O ATOM 641 CB ASP A 48 10.153 -7.227 7.300 1.00 0.00 C ATOM 642 CG ASP A 48 9.433 -8.294 8.115 1.00 0.00 C ATOM 643 OD1 ASP A 48 8.236 -8.202 8.250 1.00 0.00 O ATOM 644 OD2 ASP A 48 10.055 -9.270 8.460 1.00 0.00 O ATOM 0 H ASP A 48 11.565 -6.114 5.573 1.00 0.00 H new ATOM 0 HA ASP A 48 9.919 -8.239 5.426 1.00 0.00 H new ATOM 0 HB2 ASP A 48 11.228 -7.368 7.408 1.00 0.00 H new ATOM 0 HB3 ASP A 48 9.917 -6.248 7.717 1.00 0.00 H new ATOM 649 N ALA A 49 7.462 -7.770 5.483 1.00 0.00 N ATOM 650 CA ALA A 49 6.056 -7.491 5.222 1.00 0.00 C ATOM 651 C ALA A 49 5.484 -6.532 6.261 1.00 0.00 C ATOM 652 O ALA A 49 4.594 -5.737 5.961 1.00 0.00 O ATOM 653 CB ALA A 49 5.256 -8.786 5.199 1.00 0.00 C ATOM 0 H ALA A 49 7.688 -8.762 5.558 1.00 0.00 H new ATOM 0 HA ALA A 49 5.981 -7.013 4.245 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.207 -8.562 5.003 1.00 0.00 H new ATOM 0 HB2 ALA A 49 5.641 -9.438 4.414 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.346 -9.287 6.163 1.00 0.00 H new ATOM 659 N ALA A 50 6.000 -6.615 7.483 1.00 0.00 N ATOM 660 CA ALA A 50 5.612 -5.690 8.538 1.00 0.00 C ATOM 661 C ALA A 50 5.997 -4.258 8.183 1.00 0.00 C ATOM 662 O ALA A 50 5.243 -3.318 8.440 1.00 0.00 O ATOM 663 CB ALA A 50 6.250 -6.097 9.859 1.00 0.00 C ATOM 0 H ALA A 50 6.687 -7.314 7.766 1.00 0.00 H new ATOM 0 HA ALA A 50 4.528 -5.732 8.642 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.951 -5.396 10.639 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.921 -7.101 10.128 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.335 -6.086 9.758 1.00 0.00 H new ATOM 669 N HIS A 51 7.176 -4.096 7.590 1.00 0.00 N ATOM 670 CA HIS A 51 7.708 -2.771 7.292 1.00 0.00 C ATOM 671 C HIS A 51 6.877 -2.081 6.215 1.00 0.00 C ATOM 672 O HIS A 51 6.561 -0.896 6.324 1.00 0.00 O ATOM 673 CB HIS A 51 9.172 -2.859 6.850 1.00 0.00 C ATOM 674 CG HIS A 51 10.102 -3.305 7.936 1.00 0.00 C ATOM 675 ND1 HIS A 51 11.396 -3.709 7.686 1.00 0.00 N ATOM 676 CD2 HIS A 51 9.925 -3.411 9.273 1.00 0.00 C ATOM 677 CE1 HIS A 51 11.977 -4.044 8.825 1.00 0.00 C ATOM 678 NE2 HIS A 51 11.105 -3.872 9.803 1.00 0.00 N ATOM 0 H HIS A 51 7.781 -4.866 7.306 1.00 0.00 H new ATOM 0 HA HIS A 51 7.655 -2.178 8.205 1.00 0.00 H new ATOM 0 HB2 HIS A 51 9.248 -3.551 6.011 1.00 0.00 H new ATOM 0 HB3 HIS A 51 9.492 -1.882 6.488 1.00 0.00 H new ATOM 0 HD2 HIS A 51 9.024 -3.177 9.821 1.00 0.00 H new ATOM 0 HE1 HIS A 51 12.991 -4.398 8.937 1.00 0.00 H new ATOM 0 HE2 HIS A 51 11.280 -4.052 10.792 1.00 0.00 H new ATOM 685 N ILE A 52 6.526 -2.831 5.175 1.00 0.00 N ATOM 686 CA ILE A 52 5.729 -2.292 4.079 1.00 0.00 C ATOM 687 C ILE A 52 4.293 -2.033 4.522 1.00 0.00 C ATOM 688 O ILE A 52 3.630 -1.129 4.014 1.00 0.00 O ATOM 689 CB ILE A 52 5.722 -3.241 2.867 1.00 0.00 C ATOM 690 CG1 ILE A 52 5.083 -2.556 1.656 1.00 0.00 C ATOM 691 CG2 ILE A 52 4.985 -4.528 3.203 1.00 0.00 C ATOM 692 CD1 ILE A 52 5.839 -1.340 1.173 1.00 0.00 C ATOM 0 H ILE A 52 6.781 -3.813 5.068 1.00 0.00 H new ATOM 0 HA ILE A 52 6.191 -1.349 3.785 1.00 0.00 H new ATOM 0 HB ILE A 52 6.753 -3.491 2.617 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.011 -3.275 0.840 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.065 -2.261 1.912 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.990 -5.187 2.335 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.480 -5.024 4.038 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.956 -4.297 3.477 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.325 -0.910 0.313 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.889 -0.601 1.973 1.00 0.00 H new ATOM 0 HD13 ILE A 52 6.849 -1.631 0.884 1.00 0.00 H new ATOM 704 N ALA A 53 3.819 -2.832 5.472 1.00 0.00 N ATOM 705 CA ALA A 53 2.518 -2.600 6.086 1.00 0.00 C ATOM 706 C ALA A 53 2.504 -1.287 6.863 1.00 0.00 C ATOM 707 O ALA A 53 1.521 -0.549 6.833 1.00 0.00 O ATOM 708 CB ALA A 53 2.150 -3.760 6.999 1.00 0.00 C ATOM 0 H ALA A 53 4.317 -3.646 5.833 1.00 0.00 H new ATOM 0 HA ALA A 53 1.776 -2.529 5.291 1.00 0.00 H new ATOM 0 HB1 ALA A 53 1.176 -3.573 7.451 1.00 0.00 H new ATOM 0 HB2 ALA A 53 2.110 -4.681 6.418 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.901 -3.858 7.783 1.00 0.00 H new ATOM 714 N GLU A 54 3.602 -1.006 7.559 1.00 0.00 N ATOM 715 CA GLU A 54 3.753 0.261 8.266 1.00 0.00 C ATOM 716 C GLU A 54 3.816 1.428 7.282 1.00 0.00 C ATOM 717 O GLU A 54 3.300 2.512 7.556 1.00 0.00 O ATOM 718 CB GLU A 54 5.006 0.241 9.143 1.00 0.00 C ATOM 719 CG GLU A 54 4.891 -0.635 10.382 1.00 0.00 C ATOM 720 CD GLU A 54 6.195 -0.700 11.127 1.00 0.00 C ATOM 721 OE1 GLU A 54 7.157 -0.146 10.652 1.00 0.00 O ATOM 722 OE2 GLU A 54 6.205 -1.208 12.224 1.00 0.00 O ATOM 0 H GLU A 54 4.398 -1.637 7.648 1.00 0.00 H new ATOM 0 HA GLU A 54 2.881 0.397 8.906 1.00 0.00 H new ATOM 0 HB2 GLU A 54 5.848 -0.106 8.544 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.234 1.261 9.453 1.00 0.00 H new ATOM 0 HG2 GLU A 54 4.114 -0.241 11.038 1.00 0.00 H new ATOM 0 HG3 GLU A 54 4.585 -1.640 10.092 1.00 0.00 H new ATOM 729 N ILE A 55 4.453 1.196 6.140 1.00 0.00 N ATOM 730 CA ILE A 55 4.519 2.200 5.085 1.00 0.00 C ATOM 731 C ILE A 55 3.134 2.490 4.514 1.00 0.00 C ATOM 732 O ILE A 55 2.798 3.640 4.228 1.00 0.00 O ATOM 733 CB ILE A 55 5.454 1.761 3.944 1.00 0.00 C ATOM 734 CG1 ILE A 55 6.908 1.748 4.419 1.00 0.00 C ATOM 735 CG2 ILE A 55 5.291 2.676 2.740 1.00 0.00 C ATOM 736 CD1 ILE A 55 7.863 1.090 3.450 1.00 0.00 C ATOM 0 H ILE A 55 4.931 0.322 5.921 1.00 0.00 H new ATOM 0 HA ILE A 55 4.919 3.107 5.538 1.00 0.00 H new ATOM 0 HB ILE A 55 5.182 0.749 3.644 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.232 2.774 4.593 1.00 0.00 H new ATOM 0 HG13 ILE A 55 6.963 1.230 5.376 1.00 0.00 H new ATOM 0 HG21 ILE A 55 5.960 2.351 1.943 1.00 0.00 H new ATOM 0 HG22 ILE A 55 4.260 2.635 2.388 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.536 3.699 3.025 1.00 0.00 H new ATOM 0 HD11 ILE A 55 8.873 1.120 3.858 1.00 0.00 H new ATOM 0 HD12 ILE A 55 7.566 0.053 3.294 1.00 0.00 H new ATOM 0 HD13 ILE A 55 7.840 1.621 2.499 1.00 0.00 H new ATOM 748 N ILE A 56 2.336 1.440 4.353 1.00 0.00 N ATOM 749 CA ILE A 56 0.961 1.592 3.893 1.00 0.00 C ATOM 750 C ILE A 56 0.134 2.400 4.887 1.00 0.00 C ATOM 751 O ILE A 56 -0.622 3.291 4.503 1.00 0.00 O ATOM 752 CB ILE A 56 0.287 0.225 3.668 1.00 0.00 C ATOM 753 CG1 ILE A 56 0.911 -0.485 2.464 1.00 0.00 C ATOM 754 CG2 ILE A 56 -1.211 0.397 3.472 1.00 0.00 C ATOM 755 CD1 ILE A 56 0.524 -1.942 2.347 1.00 0.00 C ATOM 0 H ILE A 56 2.617 0.476 4.534 1.00 0.00 H new ATOM 0 HA ILE A 56 1.003 2.126 2.943 1.00 0.00 H new ATOM 0 HB ILE A 56 0.448 -0.392 4.552 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.613 0.035 1.553 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.996 -0.411 2.533 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.672 -0.578 3.314 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.643 0.863 4.358 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.394 1.029 2.603 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.005 -2.377 1.471 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.846 -2.477 3.240 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.558 -2.024 2.245 1.00 0.00 H new ATOM 767 N THR A 57 0.284 2.081 6.170 1.00 0.00 N ATOM 768 CA THR A 57 -0.424 2.797 7.224 1.00 0.00 C ATOM 769 C THR A 57 0.137 4.204 7.404 1.00 0.00 C ATOM 770 O THR A 57 -0.555 5.101 7.884 1.00 0.00 O ATOM 771 CB THR A 57 -0.348 2.047 8.567 1.00 0.00 C ATOM 772 OG1 THR A 57 1.024 1.892 8.953 1.00 0.00 O ATOM 773 CG2 THR A 57 -0.996 0.676 8.450 1.00 0.00 C ATOM 0 H THR A 57 0.890 1.331 6.503 1.00 0.00 H new ATOM 0 HA THR A 57 -1.467 2.861 6.915 1.00 0.00 H new ATOM 0 HB THR A 57 -0.882 2.626 9.320 1.00 0.00 H new ATOM 0 HG1 THR A 57 1.605 2.177 8.217 1.00 0.00 H new ATOM 0 HG21 THR A 57 -0.933 0.161 9.408 1.00 0.00 H new ATOM 0 HG22 THR A 57 -2.043 0.791 8.168 1.00 0.00 H new ATOM 0 HG23 THR A 57 -0.478 0.092 7.689 1.00 0.00 H new ATOM 781 N ALA A 58 1.395 4.388 7.017 1.00 0.00 N ATOM 782 CA ALA A 58 2.032 5.697 7.088 1.00 0.00 C ATOM 783 C ALA A 58 1.353 6.688 6.147 1.00 0.00 C ATOM 784 O ALA A 58 1.493 7.901 6.303 1.00 0.00 O ATOM 785 CB ALA A 58 3.513 5.582 6.760 1.00 0.00 C ATOM 0 H ALA A 58 1.993 3.647 6.651 1.00 0.00 H new ATOM 0 HA ALA A 58 1.926 6.072 8.106 1.00 0.00 H new ATOM 0 HB1 ALA A 58 3.976 6.567 6.817 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.993 4.914 7.475 1.00 0.00 H new ATOM 0 HB3 ALA A 58 3.633 5.183 5.753 1.00 0.00 H new ATOM 791 N ALA A 59 0.623 6.164 5.170 1.00 0.00 N ATOM 792 CA ALA A 59 -0.121 7.001 4.236 1.00 0.00 C ATOM 793 C ALA A 59 -1.417 7.502 4.862 1.00 0.00 C ATOM 794 O ALA A 59 -2.152 8.280 4.255 1.00 0.00 O ATOM 795 CB ALA A 59 -0.412 6.234 2.955 1.00 0.00 C ATOM 0 H ALA A 59 0.530 5.162 5.004 1.00 0.00 H new ATOM 0 HA ALA A 59 0.494 7.868 3.994 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.968 6.872 2.267 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.527 5.931 2.491 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -1.004 5.349 3.187 1.00 0.00 H new ATOM 801 N GLY A 60 -1.694 7.050 6.082 1.00 0.00 N ATOM 802 CA GLY A 60 -2.883 7.494 6.786 1.00 0.00 C ATOM 803 C GLY A 60 -4.062 6.566 6.575 1.00 0.00 C ATOM 804 O GLY A 60 -5.177 6.858 7.009 1.00 0.00 O ATOM 0 H GLY A 60 -1.116 6.384 6.595 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -2.666 7.564 7.852 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -3.148 8.496 6.449 1.00 0.00 H new ATOM 808 N TYR A 61 -3.818 5.444 5.907 1.00 0.00 N ATOM 809 CA TYR A 61 -4.868 4.467 5.643 1.00 0.00 C ATOM 810 C TYR A 61 -4.522 3.116 6.261 1.00 0.00 C ATOM 811 O TYR A 61 -3.535 2.481 5.884 1.00 0.00 O ATOM 812 CB TYR A 61 -5.094 4.316 4.138 1.00 0.00 C ATOM 813 CG TYR A 61 -5.458 5.608 3.439 1.00 0.00 C ATOM 814 CD1 TYR A 61 -6.773 6.045 3.390 1.00 0.00 C ATOM 815 CD2 TYR A 61 -4.484 6.388 2.834 1.00 0.00 C ATOM 816 CE1 TYR A 61 -7.112 7.224 2.754 1.00 0.00 C ATOM 817 CE2 TYR A 61 -4.810 7.569 2.196 1.00 0.00 C ATOM 818 CZ TYR A 61 -6.126 7.984 2.158 1.00 0.00 C ATOM 819 OH TYR A 61 -6.456 9.159 1.524 1.00 0.00 O ATOM 0 H TYR A 61 -2.902 5.188 5.538 1.00 0.00 H new ATOM 0 HA TYR A 61 -5.788 4.829 6.101 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -4.190 3.911 3.684 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -5.888 3.588 3.971 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -7.546 5.453 3.857 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -3.453 6.067 2.862 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -8.142 7.549 2.723 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -4.039 8.165 1.729 1.00 0.00 H new ATOM 0 HH TYR A 61 -6.489 9.010 0.556 1.00 0.00 H new ATOM 829 N THR A 62 -5.341 2.680 7.213 1.00 0.00 N ATOM 830 CA THR A 62 -5.040 1.487 7.993 1.00 0.00 C ATOM 831 C THR A 62 -6.313 0.728 8.350 1.00 0.00 C ATOM 832 O THR A 62 -7.356 1.318 8.636 1.00 0.00 O ATOM 833 CB THR A 62 -4.280 1.835 9.287 1.00 0.00 C ATOM 834 OG1 THR A 62 -3.996 0.634 10.015 1.00 0.00 O ATOM 835 CG2 THR A 62 -5.110 2.767 10.158 1.00 0.00 C ATOM 0 H THR A 62 -6.219 3.136 7.462 1.00 0.00 H new ATOM 0 HA THR A 62 -4.407 0.855 7.371 1.00 0.00 H new ATOM 0 HB THR A 62 -3.349 2.335 9.021 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.511 0.857 10.837 1.00 0.00 H new ATOM 0 HG21 THR A 62 -4.558 3.002 11.068 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.318 3.687 9.611 1.00 0.00 H new ATOM 0 HG23 THR A 62 -6.050 2.280 10.419 1.00 0.00 H new ATOM 843 N PRO A 63 -6.229 -0.610 8.336 1.00 0.00 N ATOM 844 CA PRO A 63 -7.328 -1.477 8.770 1.00 0.00 C ATOM 845 C PRO A 63 -7.573 -1.394 10.273 1.00 0.00 C ATOM 846 O PRO A 63 -8.616 -1.822 10.766 1.00 0.00 O ATOM 847 CB PRO A 63 -6.883 -2.879 8.343 1.00 0.00 C ATOM 848 CG PRO A 63 -5.393 -2.818 8.363 1.00 0.00 C ATOM 849 CD PRO A 63 -5.045 -1.426 7.909 1.00 0.00 C ATOM 0 HA PRO A 63 -8.280 -1.186 8.326 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -7.259 -3.640 9.027 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -7.257 -3.129 7.350 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -5.005 -3.014 9.363 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -4.960 -3.567 7.700 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -4.125 -1.071 8.373 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -4.895 -1.382 6.830 1.00 0.00 H new ATOM 857 N GLU A 64 -6.604 -0.841 10.997 1.00 0.00 N ATOM 858 CA GLU A 64 -6.716 -0.701 12.444 1.00 0.00 C ATOM 859 C GLU A 64 -7.770 0.341 12.808 1.00 0.00 C ATOM 860 O GLU A 64 -8.730 0.043 13.520 1.00 0.00 O ATOM 861 CB GLU A 64 -5.366 -0.322 13.053 1.00 0.00 C ATOM 862 CG GLU A 64 -5.359 -0.254 14.574 1.00 0.00 C ATOM 863 CD GLU A 64 -3.988 0.070 15.100 1.00 0.00 C ATOM 864 OE1 GLU A 64 -3.090 0.225 14.308 1.00 0.00 O ATOM 865 OE2 GLU A 64 -3.861 0.274 16.284 1.00 0.00 O ATOM 866 OXT GLU A 64 -7.670 1.465 12.401 1.00 0.00 O ATOM 0 H GLU A 64 -5.733 -0.483 10.605 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.026 -1.662 12.854 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.619 -1.047 12.730 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.061 0.647 12.657 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.068 0.503 14.910 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.692 -1.207 14.984 1.00 0.00 H new TER 873 GLU A 64