USER MOD reduce.3.24.130724 H: found=0, std=0, add=391, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 316 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 2 GLN : amide:sc= -1.08 K(o=0.15,f=-2.3) USER MOD Set 1.2: A 3 ASN : amide:sc= 0.557 K(o=0.15,f=-0.73) USER MOD Set 1.3: A 43 ASN : amide:sc= 0.669 K(o=0.15,f=-0.73) USER MOD Set 2.1: A 1 ASP N :NH3+ -176:sc= -0.454 (180deg=-0.494) USER MOD Set 2.2: A 44 GLN : amide:sc= -0.0349 K(o=-0.49,f=-8.4!) USER MOD Single : A 8 ASN : amide:sc= -0.161 K(o=-0.16,f=-2.4) USER MOD Single : A 10 THR OG1 : rot -103:sc= -0.273 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 GLN : amide:sc= 0.034 K(o=0.034,f=-2.9!) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.167 X(o=-0.17,f=-0.17) USER MOD Single : A 17 HIS : no HD1:sc= -0.028 X(o=-0.028,f=-0.4) USER MOD Single : A 18 LYS NZ :NH3+ -179:sc= -0.825! (180deg=-0.94!) USER MOD Single : A 19 ASN : amide:sc= -0.0511 X(o=-0.051,f=-0.051) USER MOD Single : A 24 ASN : amide:sc= -1.59 K(o=-1.6,f=-2.6) USER MOD Single : A 28 THR OG1 : rot 22:sc= 1.06 USER MOD Single : A 34 LYS NZ :NH3+ -139:sc= -0.187 (180deg=-2.11!) USER MOD Single : A 35 THR OG1 : rot -60:sc= 1.14 USER MOD Single : A 36 SER OG : rot 41:sc= 1.57 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.0563 X(o=-0.056,f=0.14) USER MOD Single : A 48 SER OG : rot -57:sc= 1.1 USER MOD Single : A 52 SER OG : rot 33:sc= 0.675 USER MOD Single : A 53 THR OG1 : rot 89:sc= 1.02 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.161 X(o=-0.16,f=-0.16) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -6.483 -4.140 -9.895 1.00 0.00 N ATOM 2 CA ASP A 1 -7.556 -4.563 -9.011 1.00 0.00 C ATOM 3 C ASP A 1 -8.054 -5.944 -9.444 1.00 0.00 C ATOM 4 O ASP A 1 -9.057 -6.436 -8.929 1.00 0.00 O ATOM 5 CB ASP A 1 -8.738 -3.593 -9.076 1.00 0.00 C ATOM 6 CG ASP A 1 -9.336 -3.395 -10.469 1.00 0.00 C ATOM 7 OD1 ASP A 1 -8.887 -4.007 -11.451 1.00 0.00 O ATOM 8 OD2 ASP A 1 -10.317 -2.559 -10.528 1.00 0.00 O ATOM 0 H1 ASP A 1 -6.097 -3.233 -9.563 1.00 0.00 H new ATOM 0 H2 ASP A 1 -5.730 -4.858 -9.895 1.00 0.00 H new ATOM 0 H3 ASP A 1 -6.853 -4.026 -10.860 1.00 0.00 H new ATOM 0 HA ASP A 1 -7.165 -4.588 -7.994 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -9.521 -3.953 -8.409 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -8.415 -2.624 -8.695 1.00 0.00 H new ATOM 13 N GLN A 2 -7.329 -6.529 -10.386 1.00 0.00 N ATOM 14 CA GLN A 2 -7.714 -7.821 -10.930 1.00 0.00 C ATOM 15 C GLN A 2 -7.501 -8.920 -9.888 1.00 0.00 C ATOM 16 O GLN A 2 -8.059 -10.010 -10.007 1.00 0.00 O ATOM 17 CB GLN A 2 -6.941 -8.126 -12.215 1.00 0.00 C ATOM 18 CG GLN A 2 -5.455 -8.344 -11.923 1.00 0.00 C ATOM 19 CD GLN A 2 -5.162 -9.821 -11.649 1.00 0.00 C ATOM 20 OE1 GLN A 2 -4.837 -10.221 -10.542 1.00 0.00 O ATOM 21 NE2 GLN A 2 -5.293 -10.606 -12.714 1.00 0.00 N ATOM 0 H GLN A 2 -6.478 -6.133 -10.786 1.00 0.00 H new ATOM 0 HA GLN A 2 -8.774 -7.787 -11.182 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -7.356 -9.015 -12.691 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -7.060 -7.302 -12.919 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -4.860 -8.002 -12.770 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -5.158 -7.745 -11.062 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -5.568 -10.207 -13.611 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -5.118 -11.608 -12.634 1.00 0.00 H new ATOM 28 N ASN A 3 -6.692 -8.597 -8.890 1.00 0.00 N ATOM 29 CA ASN A 3 -6.467 -9.511 -7.782 1.00 0.00 C ATOM 30 C ASN A 3 -7.391 -9.136 -6.622 1.00 0.00 C ATOM 31 O ASN A 3 -8.071 -9.995 -6.064 1.00 0.00 O ATOM 32 CB ASN A 3 -5.023 -9.425 -7.283 1.00 0.00 C ATOM 33 CG ASN A 3 -4.542 -10.782 -6.764 1.00 0.00 C ATOM 34 OD1 ASN A 3 -3.750 -11.469 -7.389 1.00 0.00 O ATOM 35 ND2 ASN A 3 -5.063 -11.129 -5.592 1.00 0.00 N ATOM 0 H ASN A 3 -6.184 -7.715 -8.825 1.00 0.00 H new ATOM 0 HA ASN A 3 -6.668 -10.523 -8.133 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -4.374 -9.090 -8.092 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -4.952 -8.682 -6.489 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -4.805 -12.017 -5.162 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -5.721 -10.507 -5.122 1.00 0.00 H new ATOM 40 N CYS A 4 -7.384 -7.853 -6.293 1.00 0.00 N ATOM 41 CA CYS A 4 -8.337 -7.322 -5.333 1.00 0.00 C ATOM 42 C CYS A 4 -8.447 -5.811 -5.550 1.00 0.00 C ATOM 43 O CYS A 4 -9.369 -5.341 -6.214 1.00 0.00 O ATOM 44 CB CYS A 4 -7.943 -7.665 -3.896 1.00 0.00 C ATOM 45 SG CYS A 4 -6.182 -8.108 -3.667 1.00 0.00 S ATOM 0 H CYS A 4 -6.734 -7.166 -6.674 1.00 0.00 H new ATOM 0 HA CYS A 4 -9.312 -7.783 -5.492 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -8.174 -6.812 -3.258 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -8.560 -8.496 -3.554 1.00 0.00 H new ATOM 49 N ASP A 5 -7.492 -5.093 -4.977 1.00 0.00 N ATOM 50 CA ASP A 5 -7.571 -3.643 -4.930 1.00 0.00 C ATOM 51 C ASP A 5 -6.408 -3.098 -4.100 1.00 0.00 C ATOM 52 O ASP A 5 -6.366 -3.288 -2.886 1.00 0.00 O ATOM 53 CB ASP A 5 -8.875 -3.183 -4.275 1.00 0.00 C ATOM 54 CG ASP A 5 -9.718 -2.224 -5.116 1.00 0.00 C ATOM 55 OD1 ASP A 5 -9.674 -0.998 -4.924 1.00 0.00 O ATOM 56 OD2 ASP A 5 -10.455 -2.787 -6.013 1.00 0.00 O ATOM 0 H ASP A 5 -6.659 -5.489 -4.541 1.00 0.00 H new ATOM 0 HA ASP A 5 -7.530 -3.271 -5.954 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -9.476 -4.062 -4.041 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -8.637 -2.699 -3.328 1.00 0.00 H new ATOM 61 N ILE A 6 -5.491 -2.434 -4.788 1.00 0.00 N ATOM 62 CA ILE A 6 -4.387 -1.770 -4.117 1.00 0.00 C ATOM 63 C ILE A 6 -4.919 -0.565 -3.338 1.00 0.00 C ATOM 64 O ILE A 6 -4.314 -0.141 -2.355 1.00 0.00 O ATOM 65 CB ILE A 6 -3.286 -1.417 -5.119 1.00 0.00 C ATOM 66 CG1 ILE A 6 -3.746 -0.313 -6.073 1.00 0.00 C ATOM 67 CG2 ILE A 6 -2.807 -2.662 -5.870 1.00 0.00 C ATOM 68 CD1 ILE A 6 -2.607 0.122 -6.998 1.00 0.00 C ATOM 0 H ILE A 6 -5.490 -2.342 -5.804 1.00 0.00 H new ATOM 0 HA ILE A 6 -3.924 -2.439 -3.392 1.00 0.00 H new ATOM 0 HB ILE A 6 -2.432 -1.028 -4.565 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -4.587 -0.669 -6.668 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -4.101 0.543 -5.500 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -2.025 -2.383 -6.576 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -2.412 -3.387 -5.158 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -3.643 -3.104 -6.412 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.961 0.908 -7.666 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.777 0.500 -6.401 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -2.271 -0.731 -7.587 1.00 0.00 H new ATOM 78 N GLY A 7 -6.045 -0.048 -3.807 1.00 0.00 N ATOM 79 CA GLY A 7 -6.530 1.239 -3.338 1.00 0.00 C ATOM 80 C GLY A 7 -7.650 1.060 -2.312 1.00 0.00 C ATOM 81 O GLY A 7 -8.633 1.800 -2.326 1.00 0.00 O ATOM 0 H GLY A 7 -6.636 -0.497 -4.507 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.709 1.801 -2.892 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.895 1.824 -4.182 1.00 0.00 H new ATOM 85 N ASN A 8 -7.465 0.075 -1.445 1.00 0.00 N ATOM 86 CA ASN A 8 -8.443 -0.203 -0.408 1.00 0.00 C ATOM 87 C ASN A 8 -8.040 0.526 0.876 1.00 0.00 C ATOM 88 O ASN A 8 -8.898 0.991 1.625 1.00 0.00 O ATOM 89 CB ASN A 8 -8.510 -1.699 -0.100 1.00 0.00 C ATOM 90 CG ASN A 8 -7.250 -2.166 0.632 1.00 0.00 C ATOM 91 OD1 ASN A 8 -7.169 -2.160 1.849 1.00 0.00 O ATOM 92 ND2 ASN A 8 -6.273 -2.569 -0.177 1.00 0.00 N ATOM 0 H ASN A 8 -6.652 -0.540 -1.440 1.00 0.00 H new ATOM 0 HA ASN A 8 -9.416 0.136 -0.764 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -9.388 -1.909 0.510 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -8.625 -2.260 -1.027 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -5.390 -2.899 0.214 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -6.407 -2.548 -1.188 1.00 0.00 H new ATOM 97 N ILE A 9 -6.735 0.603 1.090 1.00 0.00 N ATOM 98 CA ILE A 9 -6.210 1.184 2.314 1.00 0.00 C ATOM 99 C ILE A 9 -5.700 2.596 2.025 1.00 0.00 C ATOM 100 O ILE A 9 -5.915 3.513 2.817 1.00 0.00 O ATOM 101 CB ILE A 9 -5.156 0.264 2.934 1.00 0.00 C ATOM 102 CG1 ILE A 9 -4.873 0.655 4.386 1.00 0.00 C ATOM 103 CG2 ILE A 9 -3.882 0.241 2.088 1.00 0.00 C ATOM 104 CD1 ILE A 9 -6.100 0.417 5.268 1.00 0.00 C ATOM 0 H ILE A 9 -6.025 0.273 0.436 1.00 0.00 H new ATOM 0 HA ILE A 9 -6.998 1.276 3.061 1.00 0.00 H new ATOM 0 HB ILE A 9 -5.553 -0.751 2.945 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.031 0.076 4.765 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.585 1.705 4.434 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.150 -0.420 2.551 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.116 -0.121 1.087 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -3.471 1.248 2.022 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.871 0.703 6.295 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -6.933 1.016 4.901 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -6.371 -0.638 5.237 1.00 0.00 H new ATOM 114 N THR A 10 -5.032 2.729 0.888 1.00 0.00 N ATOM 115 CA THR A 10 -4.349 3.969 0.561 1.00 0.00 C ATOM 116 C THR A 10 -5.364 5.067 0.234 1.00 0.00 C ATOM 117 O THR A 10 -5.039 6.252 0.291 1.00 0.00 O ATOM 118 CB THR A 10 -3.373 3.684 -0.582 1.00 0.00 C ATOM 119 OG1 THR A 10 -4.152 2.964 -1.534 1.00 0.00 O ATOM 120 CG2 THR A 10 -2.272 2.700 -0.181 1.00 0.00 C ATOM 0 H THR A 10 -4.949 1.998 0.182 1.00 0.00 H new ATOM 0 HA THR A 10 -3.777 4.341 1.411 1.00 0.00 H new ATOM 0 HB THR A 10 -2.921 4.619 -0.914 1.00 0.00 H new ATOM 0 HG1 THR A 10 -3.929 2.011 -1.485 1.00 0.00 H new ATOM 0 HG21 THR A 10 -1.607 2.533 -1.028 1.00 0.00 H new ATOM 0 HG22 THR A 10 -1.702 3.112 0.652 1.00 0.00 H new ATOM 0 HG23 THR A 10 -2.722 1.754 0.120 1.00 0.00 H new ATOM 128 N SER A 11 -6.569 4.634 -0.100 1.00 0.00 N ATOM 129 CA SER A 11 -7.688 5.553 -0.223 1.00 0.00 C ATOM 130 C SER A 11 -7.784 6.430 1.027 1.00 0.00 C ATOM 131 O SER A 11 -8.079 7.621 0.934 1.00 0.00 O ATOM 132 CB SER A 11 -9.000 4.798 -0.443 1.00 0.00 C ATOM 133 OG SER A 11 -10.113 5.682 -0.548 1.00 0.00 O ATOM 0 H SER A 11 -6.796 3.658 -0.290 1.00 0.00 H new ATOM 0 HA SER A 11 -7.515 6.187 -1.093 1.00 0.00 H new ATOM 0 HB2 SER A 11 -8.926 4.199 -1.351 1.00 0.00 H new ATOM 0 HB3 SER A 11 -9.163 4.106 0.383 1.00 0.00 H new ATOM 0 HG SER A 11 -10.932 5.162 -0.689 1.00 0.00 H new ATOM 138 N GLN A 12 -7.528 5.808 2.169 1.00 0.00 N ATOM 139 CA GLN A 12 -7.520 6.531 3.430 1.00 0.00 C ATOM 140 C GLN A 12 -6.189 7.264 3.612 1.00 0.00 C ATOM 141 O GLN A 12 -6.169 8.467 3.870 1.00 0.00 O ATOM 142 CB GLN A 12 -7.791 5.588 4.604 1.00 0.00 C ATOM 143 CG GLN A 12 -8.011 6.373 5.898 1.00 0.00 C ATOM 144 CD GLN A 12 -8.552 5.466 7.005 1.00 0.00 C ATOM 145 OE1 GLN A 12 -9.719 5.502 7.358 1.00 0.00 O ATOM 146 NE2 GLN A 12 -7.640 4.653 7.532 1.00 0.00 N ATOM 0 H GLN A 12 -7.325 4.812 2.247 1.00 0.00 H new ATOM 0 HA GLN A 12 -8.320 7.270 3.408 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -8.669 4.979 4.390 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -6.951 4.904 4.727 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -7.071 6.823 6.219 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -8.710 7.189 5.718 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -6.679 4.674 7.190 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -7.901 4.009 8.278 1.00 0.00 H new ATOM 153 N CYS A 13 -5.110 6.509 3.470 1.00 0.00 N ATOM 154 CA CYS A 13 -3.808 6.973 3.920 1.00 0.00 C ATOM 155 C CYS A 13 -3.464 8.252 3.152 1.00 0.00 C ATOM 156 O CYS A 13 -2.944 9.206 3.730 1.00 0.00 O ATOM 157 CB CYS A 13 -2.734 5.897 3.747 1.00 0.00 C ATOM 158 SG CYS A 13 -3.164 4.265 4.452 1.00 0.00 S ATOM 0 H CYS A 13 -5.110 5.579 3.050 1.00 0.00 H new ATOM 0 HA CYS A 13 -3.844 7.189 4.988 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -2.529 5.775 2.683 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -1.812 6.246 4.211 1.00 0.00 H new ATOM 162 N GLN A 14 -3.767 8.230 1.863 1.00 0.00 N ATOM 163 CA GLN A 14 -3.354 9.306 0.979 1.00 0.00 C ATOM 164 C GLN A 14 -3.952 10.635 1.444 1.00 0.00 C ATOM 165 O GLN A 14 -3.260 11.650 1.487 1.00 0.00 O ATOM 166 CB GLN A 14 -3.744 9.007 -0.470 1.00 0.00 C ATOM 167 CG GLN A 14 -2.796 7.979 -1.092 1.00 0.00 C ATOM 168 CD GLN A 14 -3.284 7.551 -2.478 1.00 0.00 C ATOM 169 OE1 GLN A 14 -2.701 7.877 -3.498 1.00 0.00 O ATOM 170 NE2 GLN A 14 -4.385 6.805 -2.457 1.00 0.00 N ATOM 0 H GLN A 14 -4.294 7.484 1.409 1.00 0.00 H new ATOM 0 HA GLN A 14 -2.268 9.385 1.019 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -4.767 8.632 -0.505 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -3.722 9.927 -1.054 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -1.795 8.403 -1.170 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -2.723 7.107 -0.443 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -4.824 6.568 -1.567 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -4.791 6.470 -3.331 1.00 0.00 H new ATOM 177 N MET A 15 -5.233 10.585 1.781 1.00 0.00 N ATOM 178 CA MET A 15 -5.938 11.777 2.222 1.00 0.00 C ATOM 179 C MET A 15 -5.603 12.104 3.678 1.00 0.00 C ATOM 180 O MET A 15 -5.544 13.272 4.058 1.00 0.00 O ATOM 181 CB MET A 15 -7.446 11.558 2.082 1.00 0.00 C ATOM 182 CG MET A 15 -7.826 11.281 0.626 1.00 0.00 C ATOM 183 SD MET A 15 -7.570 12.745 -0.362 1.00 0.00 S ATOM 184 CE MET A 15 -8.043 12.124 -1.967 1.00 0.00 C ATOM 0 H MET A 15 -5.801 9.738 1.757 1.00 0.00 H new ATOM 0 HA MET A 15 -5.624 12.615 1.599 1.00 0.00 H new ATOM 0 HB2 MET A 15 -7.755 10.721 2.708 1.00 0.00 H new ATOM 0 HB3 MET A 15 -7.980 12.438 2.440 1.00 0.00 H new ATOM 0 HG2 MET A 15 -7.226 10.459 0.235 1.00 0.00 H new ATOM 0 HG3 MET A 15 -8.869 10.970 0.567 1.00 0.00 H new ATOM 0 HE1 MET A 15 -7.942 12.917 -2.708 1.00 0.00 H new ATOM 0 HE2 MET A 15 -7.398 11.289 -2.239 1.00 0.00 H new ATOM 0 HE3 MET A 15 -9.079 11.787 -1.936 1.00 0.00 H new ATOM 192 N GLN A 16 -5.390 11.052 4.455 1.00 0.00 N ATOM 193 CA GLN A 16 -5.278 11.196 5.896 1.00 0.00 C ATOM 194 C GLN A 16 -3.958 11.878 6.260 1.00 0.00 C ATOM 195 O GLN A 16 -3.945 12.856 7.006 1.00 0.00 O ATOM 196 CB GLN A 16 -5.405 9.839 6.594 1.00 0.00 C ATOM 197 CG GLN A 16 -5.482 10.010 8.113 1.00 0.00 C ATOM 198 CD GLN A 16 -6.800 10.671 8.523 1.00 0.00 C ATOM 199 OE1 GLN A 16 -6.861 11.845 8.845 1.00 0.00 O ATOM 200 NE2 GLN A 16 -7.848 9.852 8.495 1.00 0.00 N ATOM 0 H GLN A 16 -5.292 10.096 4.113 1.00 0.00 H new ATOM 0 HA GLN A 16 -6.097 11.825 6.244 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.297 9.324 6.237 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -4.551 9.213 6.338 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -5.392 9.038 8.597 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -4.644 10.616 8.458 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -7.727 8.879 8.215 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -8.772 10.198 8.753 1.00 0.00 H new ATOM 207 N HIS A 17 -2.878 11.335 5.716 1.00 0.00 N ATOM 208 CA HIS A 17 -1.547 11.714 6.158 1.00 0.00 C ATOM 209 C HIS A 17 -0.552 11.522 5.012 1.00 0.00 C ATOM 210 O HIS A 17 0.367 10.711 5.111 1.00 0.00 O ATOM 211 CB HIS A 17 -1.153 10.944 7.420 1.00 0.00 C ATOM 212 CG HIS A 17 -1.574 9.494 7.410 1.00 0.00 C ATOM 213 ND1 HIS A 17 -2.174 8.880 8.496 1.00 0.00 N ATOM 214 CD2 HIS A 17 -1.476 8.543 6.437 1.00 0.00 C ATOM 215 CE1 HIS A 17 -2.421 7.618 8.179 1.00 0.00 C ATOM 216 NE2 HIS A 17 -1.987 7.411 6.902 1.00 0.00 N ATOM 0 H HIS A 17 -2.898 10.636 4.973 1.00 0.00 H new ATOM 0 HA HIS A 17 -1.537 12.770 6.429 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -0.071 10.997 7.543 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -1.597 11.435 8.286 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -1.053 8.688 5.454 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -2.885 6.882 8.819 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -2.046 6.531 6.390 1.00 0.00 H new ATOM 223 N LYS A 18 -0.769 12.284 3.949 1.00 0.00 N ATOM 224 CA LYS A 18 0.063 12.168 2.763 1.00 0.00 C ATOM 225 C LYS A 18 -0.110 13.419 1.899 1.00 0.00 C ATOM 226 O LYS A 18 0.839 14.174 1.698 1.00 0.00 O ATOM 227 CB LYS A 18 -0.239 10.863 2.023 1.00 0.00 C ATOM 228 CG LYS A 18 0.997 9.962 1.973 1.00 0.00 C ATOM 229 CD LYS A 18 2.101 10.592 1.122 1.00 0.00 C ATOM 230 CE LYS A 18 3.400 10.723 1.918 1.00 0.00 C ATOM 231 NZ LYS A 18 3.952 9.386 2.233 1.00 0.00 N ATOM 0 H LYS A 18 -1.509 12.984 3.885 1.00 0.00 H new ATOM 0 HA LYS A 18 1.116 12.115 3.040 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.055 10.339 2.520 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.573 11.084 1.009 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.366 9.789 2.984 1.00 0.00 H new ATOM 0 HG3 LYS A 18 0.726 8.990 1.562 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.274 9.982 0.235 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.782 11.575 0.776 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.128 11.298 1.345 1.00 0.00 H new ATOM 0 HE3 LYS A 18 3.214 11.273 2.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 4.825 9.493 2.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.256 8.844 2.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.164 8.881 1.349 1.00 0.00 H new ATOM 240 N ASN A 19 -1.330 13.599 1.414 1.00 0.00 N ATOM 241 CA ASN A 19 -1.555 14.444 0.253 1.00 0.00 C ATOM 242 C ASN A 19 -0.729 13.920 -0.923 1.00 0.00 C ATOM 243 O ASN A 19 0.013 12.949 -0.781 1.00 0.00 O ATOM 244 CB ASN A 19 -1.123 15.886 0.529 1.00 0.00 C ATOM 245 CG ASN A 19 -1.577 16.338 1.919 1.00 0.00 C ATOM 246 OD1 ASN A 19 -0.785 16.528 2.828 1.00 0.00 O ATOM 247 ND2 ASN A 19 -2.892 16.499 2.033 1.00 0.00 N ATOM 0 H ASN A 19 -2.172 13.175 1.803 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.620 14.424 0.024 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.039 15.965 0.453 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -1.545 16.547 -0.228 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -3.294 16.799 2.921 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -3.499 16.323 1.232 1.00 0.00 H new ATOM 252 N CYS A 20 -0.883 14.586 -2.057 1.00 0.00 N ATOM 253 CA CYS A 20 -0.083 14.267 -3.228 1.00 0.00 C ATOM 254 C CYS A 20 -0.715 13.061 -3.926 1.00 0.00 C ATOM 255 O CYS A 20 -0.857 13.050 -5.147 1.00 0.00 O ATOM 256 CB CYS A 20 1.380 14.013 -2.861 1.00 0.00 C ATOM 257 SG CYS A 20 1.904 12.262 -2.964 1.00 0.00 S ATOM 0 H CYS A 20 -1.550 15.346 -2.191 1.00 0.00 H new ATOM 0 HA CYS A 20 -0.075 15.117 -3.910 1.00 0.00 H new ATOM 0 HB2 CYS A 20 2.014 14.607 -3.520 1.00 0.00 H new ATOM 0 HB3 CYS A 20 1.553 14.370 -1.846 1.00 0.00 H new ATOM 261 N GLU A 21 -1.077 12.074 -3.120 1.00 0.00 N ATOM 262 CA GLU A 21 -2.007 11.048 -3.563 1.00 0.00 C ATOM 263 C GLU A 21 -1.376 10.204 -4.672 1.00 0.00 C ATOM 264 O GLU A 21 -1.967 10.029 -5.736 1.00 0.00 O ATOM 265 CB GLU A 21 -3.325 11.669 -4.029 1.00 0.00 C ATOM 266 CG GLU A 21 -4.433 10.616 -4.094 1.00 0.00 C ATOM 267 CD GLU A 21 -5.727 11.215 -4.650 1.00 0.00 C ATOM 268 OE1 GLU A 21 -5.812 12.436 -4.841 1.00 0.00 O ATOM 269 OE2 GLU A 21 -6.666 10.362 -4.886 1.00 0.00 O ATOM 0 H GLU A 21 -0.743 11.962 -2.163 1.00 0.00 H new ATOM 0 HA GLU A 21 -2.229 10.396 -2.718 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.616 12.467 -3.347 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.191 12.122 -5.011 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.113 9.785 -4.723 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.614 10.211 -3.098 1.00 0.00 H new ATOM 275 N ASP A 22 -0.184 9.702 -4.385 1.00 0.00 N ATOM 276 CA ASP A 22 0.569 8.950 -5.374 1.00 0.00 C ATOM 277 C ASP A 22 1.258 7.765 -4.691 1.00 0.00 C ATOM 278 O ASP A 22 2.120 7.954 -3.834 1.00 0.00 O ATOM 279 CB ASP A 22 1.651 9.817 -6.019 1.00 0.00 C ATOM 280 CG ASP A 22 1.215 11.241 -6.369 1.00 0.00 C ATOM 281 OD1 ASP A 22 1.933 12.215 -6.099 1.00 0.00 O ATOM 282 OD2 ASP A 22 0.068 11.332 -6.953 1.00 0.00 O ATOM 0 H ASP A 22 0.279 9.801 -3.482 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.127 8.612 -6.142 1.00 0.00 H new ATOM 0 HB2 ASP A 22 2.504 9.870 -5.342 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.996 9.325 -6.928 1.00 0.00 H new ATOM 287 N ALA A 23 0.851 6.572 -5.098 1.00 0.00 N ATOM 288 CA ALA A 23 1.434 5.357 -4.553 1.00 0.00 C ATOM 289 C ALA A 23 2.684 4.993 -5.357 1.00 0.00 C ATOM 290 O ALA A 23 2.735 3.939 -5.989 1.00 0.00 O ATOM 291 CB ALA A 23 0.389 4.240 -4.561 1.00 0.00 C ATOM 0 H ALA A 23 0.125 6.420 -5.798 1.00 0.00 H new ATOM 0 HA ALA A 23 1.740 5.508 -3.518 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.827 3.329 -4.152 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.465 4.537 -3.953 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.060 4.057 -5.584 1.00 0.00 H new ATOM 297 N ASN A 24 3.663 5.885 -5.307 1.00 0.00 N ATOM 298 CA ASN A 24 4.893 5.690 -6.056 1.00 0.00 C ATOM 299 C ASN A 24 5.866 6.827 -5.735 1.00 0.00 C ATOM 300 O ASN A 24 7.026 6.581 -5.410 1.00 0.00 O ATOM 301 CB ASN A 24 4.627 5.705 -7.563 1.00 0.00 C ATOM 302 CG ASN A 24 3.634 6.809 -7.934 1.00 0.00 C ATOM 303 OD1 ASN A 24 2.431 6.668 -7.795 1.00 0.00 O ATOM 304 ND2 ASN A 24 4.204 7.911 -8.413 1.00 0.00 N ATOM 0 H ASN A 24 3.629 6.745 -4.759 1.00 0.00 H new ATOM 0 HA ASN A 24 5.312 4.724 -5.773 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.563 5.858 -8.100 1.00 0.00 H new ATOM 0 HB3 ASN A 24 4.234 4.738 -7.876 1.00 0.00 H new ATOM 0 HD21 ASN A 24 3.626 8.705 -8.690 1.00 0.00 H new ATOM 0 HD22 ASN A 24 5.219 7.962 -8.503 1.00 0.00 H new ATOM 309 N GLY A 25 5.357 8.044 -5.838 1.00 0.00 N ATOM 310 CA GLY A 25 6.206 9.220 -5.747 1.00 0.00 C ATOM 311 C GLY A 25 6.523 9.556 -4.288 1.00 0.00 C ATOM 312 O GLY A 25 7.689 9.656 -3.910 1.00 0.00 O ATOM 0 H GLY A 25 4.367 8.243 -5.984 1.00 0.00 H new ATOM 0 HA2 GLY A 25 7.133 9.047 -6.294 1.00 0.00 H new ATOM 0 HA3 GLY A 25 5.711 10.068 -6.220 1.00 0.00 H new ATOM 316 N CYS A 26 5.465 9.720 -3.508 1.00 0.00 N ATOM 317 CA CYS A 26 5.603 10.228 -2.155 1.00 0.00 C ATOM 318 C CYS A 26 5.770 9.037 -1.208 1.00 0.00 C ATOM 319 O CYS A 26 4.960 8.841 -0.304 1.00 0.00 O ATOM 320 CB CYS A 26 4.419 11.112 -1.758 1.00 0.00 C ATOM 321 SG CYS A 26 3.952 12.373 -2.999 1.00 0.00 S ATOM 0 H CYS A 26 4.507 9.509 -3.788 1.00 0.00 H new ATOM 0 HA CYS A 26 6.484 10.866 -2.093 1.00 0.00 H new ATOM 0 HB2 CYS A 26 3.556 10.474 -1.566 1.00 0.00 H new ATOM 0 HB3 CYS A 26 4.658 11.616 -0.821 1.00 0.00 H new ATOM 325 N ASP A 27 6.825 8.274 -1.450 1.00 0.00 N ATOM 326 CA ASP A 27 7.035 7.036 -0.720 1.00 0.00 C ATOM 327 C ASP A 27 7.707 7.345 0.620 1.00 0.00 C ATOM 328 O ASP A 27 8.917 7.559 0.676 1.00 0.00 O ATOM 329 CB ASP A 27 7.948 6.085 -1.498 1.00 0.00 C ATOM 330 CG ASP A 27 9.298 6.677 -1.909 1.00 0.00 C ATOM 331 OD1 ASP A 27 9.375 7.818 -2.389 1.00 0.00 O ATOM 332 OD2 ASP A 27 10.313 5.904 -1.717 1.00 0.00 O ATOM 0 H ASP A 27 7.544 8.489 -2.141 1.00 0.00 H new ATOM 0 HA ASP A 27 6.064 6.564 -0.572 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.127 5.198 -0.890 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.424 5.755 -2.395 1.00 0.00 H new ATOM 337 N THR A 28 6.892 7.358 1.665 1.00 0.00 N ATOM 338 CA THR A 28 7.414 7.382 3.021 1.00 0.00 C ATOM 339 C THR A 28 6.422 6.728 3.985 1.00 0.00 C ATOM 340 O THR A 28 6.708 5.678 4.558 1.00 0.00 O ATOM 341 CB THR A 28 7.742 8.833 3.376 1.00 0.00 C ATOM 342 OG1 THR A 28 9.069 9.019 2.893 1.00 0.00 O ATOM 343 CG2 THR A 28 7.859 9.054 4.885 1.00 0.00 C ATOM 0 H THR A 28 5.874 7.352 1.600 1.00 0.00 H new ATOM 0 HA THR A 28 8.331 6.798 3.103 1.00 0.00 H new ATOM 0 HB THR A 28 6.970 9.488 2.972 1.00 0.00 H new ATOM 0 HG1 THR A 28 9.261 8.353 2.200 1.00 0.00 H new ATOM 0 HG21 THR A 28 8.093 10.100 5.082 1.00 0.00 H new ATOM 0 HG22 THR A 28 6.915 8.796 5.365 1.00 0.00 H new ATOM 0 HG23 THR A 28 8.653 8.423 5.285 1.00 0.00 H new ATOM 351 N ILE A 29 5.278 7.378 4.136 1.00 0.00 N ATOM 352 CA ILE A 29 4.239 6.868 5.014 1.00 0.00 C ATOM 353 C ILE A 29 3.418 5.814 4.268 1.00 0.00 C ATOM 354 O ILE A 29 2.992 4.822 4.857 1.00 0.00 O ATOM 355 CB ILE A 29 3.399 8.018 5.574 1.00 0.00 C ATOM 356 CG1 ILE A 29 3.850 8.388 6.988 1.00 0.00 C ATOM 357 CG2 ILE A 29 1.906 7.686 5.517 1.00 0.00 C ATOM 358 CD1 ILE A 29 3.339 7.370 8.011 1.00 0.00 C ATOM 0 H ILE A 29 5.048 8.253 3.665 1.00 0.00 H new ATOM 0 HA ILE A 29 4.681 6.375 5.880 1.00 0.00 H new ATOM 0 HB ILE A 29 3.558 8.894 4.945 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.938 8.432 7.026 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.481 9.382 7.243 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.332 8.520 5.921 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.612 7.510 4.482 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.710 6.791 6.107 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.674 7.657 9.008 1.00 0.00 H new ATOM 0 HD12 ILE A 29 2.250 7.346 7.987 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.729 6.382 7.767 1.00 0.00 H new ATOM 368 N ILE A 30 3.222 6.065 2.982 1.00 0.00 N ATOM 369 CA ILE A 30 2.365 5.212 2.176 1.00 0.00 C ATOM 370 C ILE A 30 3.042 3.855 1.980 1.00 0.00 C ATOM 371 O ILE A 30 2.381 2.868 1.659 1.00 0.00 O ATOM 372 CB ILE A 30 1.994 5.911 0.866 1.00 0.00 C ATOM 373 CG1 ILE A 30 0.723 5.308 0.264 1.00 0.00 C ATOM 374 CG2 ILE A 30 3.163 5.884 -0.119 1.00 0.00 C ATOM 375 CD1 ILE A 30 0.132 6.229 -0.805 1.00 0.00 C ATOM 0 H ILE A 30 3.642 6.846 2.478 1.00 0.00 H new ATOM 0 HA ILE A 30 1.421 5.025 2.689 1.00 0.00 H new ATOM 0 HB ILE A 30 1.781 6.957 1.085 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.949 4.336 -0.174 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.012 5.140 1.051 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.873 6.387 -1.041 1.00 0.00 H new ATOM 0 HG22 ILE A 30 4.020 6.395 0.319 1.00 0.00 H new ATOM 0 HG23 ILE A 30 3.430 4.850 -0.338 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.770 5.777 -1.217 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.116 7.192 -0.359 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.861 6.375 -1.602 1.00 0.00 H new ATOM 385 N GLU A 31 4.351 3.848 2.179 1.00 0.00 N ATOM 386 CA GLU A 31 5.125 2.628 2.028 1.00 0.00 C ATOM 387 C GLU A 31 4.555 1.524 2.920 1.00 0.00 C ATOM 388 O GLU A 31 4.326 0.406 2.461 1.00 0.00 O ATOM 389 CB GLU A 31 6.603 2.874 2.339 1.00 0.00 C ATOM 390 CG GLU A 31 7.423 1.597 2.149 1.00 0.00 C ATOM 391 CD GLU A 31 8.913 1.861 2.381 1.00 0.00 C ATOM 392 OE1 GLU A 31 9.455 1.477 3.427 1.00 0.00 O ATOM 393 OE2 GLU A 31 9.509 2.491 1.426 1.00 0.00 O ATOM 0 H GLU A 31 4.896 4.669 2.444 1.00 0.00 H new ATOM 0 HA GLU A 31 5.055 2.303 0.990 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.989 3.659 1.689 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.708 3.229 3.364 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.074 0.830 2.841 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.271 1.210 1.141 1.00 0.00 H new ATOM 399 N GLU A 32 4.340 1.876 4.180 1.00 0.00 N ATOM 400 CA GLU A 32 3.866 0.910 5.156 1.00 0.00 C ATOM 401 C GLU A 32 2.339 0.826 5.121 1.00 0.00 C ATOM 402 O GLU A 32 1.771 -0.262 5.213 1.00 0.00 O ATOM 403 CB GLU A 32 4.363 1.261 6.560 1.00 0.00 C ATOM 404 CG GLU A 32 4.530 0.003 7.414 1.00 0.00 C ATOM 405 CD GLU A 32 3.171 -0.540 7.862 1.00 0.00 C ATOM 406 OE1 GLU A 32 2.562 0.007 8.794 1.00 0.00 O ATOM 407 OE2 GLU A 32 2.749 -1.567 7.206 1.00 0.00 O ATOM 0 H GLU A 32 4.485 2.817 4.547 1.00 0.00 H new ATOM 0 HA GLU A 32 4.271 -0.068 4.896 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.315 1.787 6.491 1.00 0.00 H new ATOM 0 HB3 GLU A 32 3.658 1.940 7.040 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.061 -0.760 6.844 1.00 0.00 H new ATOM 0 HG3 GLU A 32 5.141 0.231 8.288 1.00 0.00 H new ATOM 413 N CYS A 33 1.716 1.987 4.986 1.00 0.00 N ATOM 414 CA CYS A 33 0.266 2.069 5.028 1.00 0.00 C ATOM 415 C CYS A 33 -0.294 1.277 3.845 1.00 0.00 C ATOM 416 O CYS A 33 -1.385 0.714 3.931 1.00 0.00 O ATOM 417 CB CYS A 33 -0.219 3.520 5.025 1.00 0.00 C ATOM 418 SG CYS A 33 -1.833 3.791 5.843 1.00 0.00 S ATOM 0 H CYS A 33 2.189 2.880 4.847 1.00 0.00 H new ATOM 0 HA CYS A 33 -0.099 1.636 5.959 1.00 0.00 H new ATOM 0 HB2 CYS A 33 0.530 4.140 5.517 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -0.289 3.863 3.993 1.00 0.00 H new ATOM 422 N LYS A 34 0.477 1.259 2.768 1.00 0.00 N ATOM 423 CA LYS A 34 0.110 0.480 1.598 1.00 0.00 C ATOM 424 C LYS A 34 0.391 -1.000 1.867 1.00 0.00 C ATOM 425 O LYS A 34 -0.522 -1.824 1.841 1.00 0.00 O ATOM 426 CB LYS A 34 0.812 1.022 0.351 1.00 0.00 C ATOM 427 CG LYS A 34 0.326 0.301 -0.909 1.00 0.00 C ATOM 428 CD LYS A 34 0.760 1.050 -2.170 1.00 0.00 C ATOM 429 CE LYS A 34 2.263 1.339 -2.147 1.00 0.00 C ATOM 430 NZ LYS A 34 2.737 1.721 -3.495 1.00 0.00 N ATOM 0 H LYS A 34 1.355 1.772 2.681 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.958 0.572 1.400 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.622 2.091 0.258 1.00 0.00 H new ATOM 0 HB3 LYS A 34 1.890 0.897 0.453 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.725 -0.713 -0.929 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -0.760 0.216 -0.888 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.513 0.458 -3.052 1.00 0.00 H new ATOM 0 HD3 LYS A 34 0.207 1.986 -2.250 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.474 2.141 -1.440 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.804 0.458 -1.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.656 1.271 -3.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.047 1.407 -4.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.841 2.754 -3.546 1.00 0.00 H new ATOM 439 N THR A 35 1.659 -1.292 2.120 1.00 0.00 N ATOM 440 CA THR A 35 2.106 -2.672 2.203 1.00 0.00 C ATOM 441 C THR A 35 1.240 -3.454 3.193 1.00 0.00 C ATOM 442 O THR A 35 1.002 -4.647 3.007 1.00 0.00 O ATOM 443 CB THR A 35 3.591 -2.666 2.568 1.00 0.00 C ATOM 444 OG1 THR A 35 4.235 -2.162 1.400 1.00 0.00 O ATOM 445 CG2 THR A 35 4.162 -4.077 2.727 1.00 0.00 C ATOM 0 H THR A 35 2.390 -0.597 2.270 1.00 0.00 H new ATOM 0 HA THR A 35 1.993 -3.183 1.247 1.00 0.00 H new ATOM 0 HB THR A 35 3.733 -2.110 3.495 1.00 0.00 H new ATOM 0 HG1 THR A 35 4.042 -2.751 0.640 1.00 0.00 H new ATOM 0 HG21 THR A 35 5.219 -4.015 2.986 1.00 0.00 H new ATOM 0 HG22 THR A 35 3.625 -4.600 3.518 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.050 -4.623 1.790 1.00 0.00 H new ATOM 453 N SER A 36 0.794 -2.752 4.224 1.00 0.00 N ATOM 454 CA SER A 36 0.009 -3.379 5.272 1.00 0.00 C ATOM 455 C SER A 36 -1.008 -4.344 4.661 1.00 0.00 C ATOM 456 O SER A 36 -0.937 -5.551 4.886 1.00 0.00 O ATOM 457 CB SER A 36 -0.703 -2.330 6.129 1.00 0.00 C ATOM 458 OG SER A 36 0.181 -1.709 7.057 1.00 0.00 O ATOM 0 H SER A 36 0.962 -1.755 4.356 1.00 0.00 H new ATOM 0 HA SER A 36 0.687 -3.938 5.917 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.141 -1.570 5.482 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.524 -2.800 6.670 1.00 0.00 H new ATOM 0 HG SER A 36 1.041 -1.531 6.621 1.00 0.00 H new ATOM 463 N MET A 37 -1.930 -3.776 3.897 1.00 0.00 N ATOM 464 CA MET A 37 -3.045 -4.546 3.373 1.00 0.00 C ATOM 465 C MET A 37 -2.759 -5.023 1.946 1.00 0.00 C ATOM 466 O MET A 37 -3.247 -6.072 1.530 1.00 0.00 O ATOM 467 CB MET A 37 -4.309 -3.683 3.379 1.00 0.00 C ATOM 468 CG MET A 37 -4.654 -3.228 4.798 1.00 0.00 C ATOM 469 SD MET A 37 -5.113 -4.635 5.796 1.00 0.00 S ATOM 470 CE MET A 37 -5.252 -3.850 7.394 1.00 0.00 C ATOM 0 H MET A 37 -1.927 -2.792 3.629 1.00 0.00 H new ATOM 0 HA MET A 37 -3.189 -5.421 4.007 1.00 0.00 H new ATOM 0 HB2 MET A 37 -4.163 -2.813 2.739 1.00 0.00 H new ATOM 0 HB3 MET A 37 -5.142 -4.249 2.962 1.00 0.00 H new ATOM 0 HG2 MET A 37 -3.799 -2.719 5.243 1.00 0.00 H new ATOM 0 HG3 MET A 37 -5.473 -2.509 4.769 1.00 0.00 H new ATOM 0 HE1 MET A 37 -5.534 -4.592 8.141 1.00 0.00 H new ATOM 0 HE2 MET A 37 -4.294 -3.408 7.667 1.00 0.00 H new ATOM 0 HE3 MET A 37 -6.013 -3.070 7.351 1.00 0.00 H new ATOM 478 N VAL A 38 -1.969 -4.228 1.239 1.00 0.00 N ATOM 479 CA VAL A 38 -1.796 -4.426 -0.190 1.00 0.00 C ATOM 480 C VAL A 38 -0.782 -5.547 -0.427 1.00 0.00 C ATOM 481 O VAL A 38 -0.575 -5.972 -1.562 1.00 0.00 O ATOM 482 CB VAL A 38 -1.397 -3.108 -0.857 1.00 0.00 C ATOM 483 CG1 VAL A 38 -1.063 -3.320 -2.335 1.00 0.00 C ATOM 484 CG2 VAL A 38 -2.493 -2.054 -0.687 1.00 0.00 C ATOM 0 H VAL A 38 -1.442 -3.446 1.629 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.735 -4.735 -0.648 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.499 -2.740 -0.361 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.783 -2.368 -2.785 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.233 -4.021 -2.424 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.935 -3.722 -2.851 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.184 -1.127 -1.170 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.416 -2.412 -1.144 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.661 -1.872 0.374 1.00 0.00 H new ATOM 494 N GLU A 39 -0.176 -5.994 0.664 1.00 0.00 N ATOM 495 CA GLU A 39 0.592 -7.226 0.641 1.00 0.00 C ATOM 496 C GLU A 39 -0.106 -8.272 -0.231 1.00 0.00 C ATOM 497 O GLU A 39 0.522 -8.888 -1.089 1.00 0.00 O ATOM 498 CB GLU A 39 0.818 -7.758 2.058 1.00 0.00 C ATOM 499 CG GLU A 39 2.266 -7.536 2.502 1.00 0.00 C ATOM 500 CD GLU A 39 3.222 -8.442 1.724 1.00 0.00 C ATOM 501 OE1 GLU A 39 2.993 -9.658 1.639 1.00 0.00 O ATOM 502 OE2 GLU A 39 4.234 -7.841 1.195 1.00 0.00 O ATOM 0 H GLU A 39 -0.202 -5.524 1.569 1.00 0.00 H new ATOM 0 HA GLU A 39 1.569 -7.013 0.207 1.00 0.00 H new ATOM 0 HB2 GLU A 39 0.141 -7.258 2.750 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.582 -8.822 2.093 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.542 -6.493 2.348 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.358 -7.736 3.570 1.00 0.00 H new ATOM 508 N ARG A 40 -1.397 -8.439 0.020 1.00 0.00 N ATOM 509 CA ARG A 40 -2.137 -9.540 -0.570 1.00 0.00 C ATOM 510 C ARG A 40 -2.617 -9.166 -1.975 1.00 0.00 C ATOM 511 O ARG A 40 -3.092 -10.022 -2.721 1.00 0.00 O ATOM 512 CB ARG A 40 -3.346 -9.914 0.290 1.00 0.00 C ATOM 513 CG ARG A 40 -4.376 -8.782 0.311 1.00 0.00 C ATOM 514 CD ARG A 40 -5.711 -9.244 -0.276 1.00 0.00 C ATOM 515 NE ARG A 40 -6.727 -8.181 -0.118 1.00 0.00 N ATOM 516 CZ ARG A 40 -8.025 -8.316 -0.465 1.00 0.00 C ATOM 517 NH1 ARG A 40 -8.479 -9.479 -0.980 1.00 0.00 N ATOM 518 NH2 ARG A 40 -8.844 -7.295 -0.294 1.00 0.00 N ATOM 0 H ARG A 40 -1.948 -7.830 0.624 1.00 0.00 H new ATOM 0 HA ARG A 40 -1.466 -10.397 -0.627 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -3.806 -10.822 -0.099 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -3.020 -10.132 1.307 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.524 -8.439 1.335 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.999 -7.932 -0.258 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -5.589 -9.488 -1.331 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.043 -10.153 0.225 1.00 0.00 H new ATOM 0 HE ARG A 40 -6.428 -7.290 0.278 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -7.840 -10.263 -1.109 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -9.461 -9.573 -1.240 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -8.494 -6.420 0.095 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.827 -7.381 -0.551 1.00 0.00 H new ATOM 528 N CYS A 41 -2.474 -7.888 -2.294 1.00 0.00 N ATOM 529 CA CYS A 41 -2.800 -7.408 -3.625 1.00 0.00 C ATOM 530 C CYS A 41 -1.501 -6.991 -4.318 1.00 0.00 C ATOM 531 O CYS A 41 -1.526 -6.248 -5.298 1.00 0.00 O ATOM 532 CB CYS A 41 -3.815 -6.263 -3.581 1.00 0.00 C ATOM 533 SG CYS A 41 -5.330 -6.620 -2.618 1.00 0.00 S ATOM 0 H CYS A 41 -2.136 -7.170 -1.653 1.00 0.00 H new ATOM 0 HA CYS A 41 -3.275 -8.206 -4.195 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -3.331 -5.383 -3.158 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -4.101 -6.010 -4.602 1.00 0.00 H new ATOM 537 N GLN A 42 -0.396 -7.487 -3.781 1.00 0.00 N ATOM 538 CA GLN A 42 0.915 -7.103 -4.276 1.00 0.00 C ATOM 539 C GLN A 42 1.053 -7.474 -5.755 1.00 0.00 C ATOM 540 O GLN A 42 1.882 -6.909 -6.465 1.00 0.00 O ATOM 541 CB GLN A 42 2.026 -7.746 -3.444 1.00 0.00 C ATOM 542 CG GLN A 42 3.405 -7.309 -3.940 1.00 0.00 C ATOM 543 CD GLN A 42 4.073 -8.419 -4.756 1.00 0.00 C ATOM 544 OE1 GLN A 42 4.209 -8.338 -5.965 1.00 0.00 O ATOM 545 NE2 GLN A 42 4.478 -9.456 -4.028 1.00 0.00 N ATOM 0 H GLN A 42 -0.382 -8.152 -3.008 1.00 0.00 H new ATOM 0 HA GLN A 42 1.015 -6.022 -4.181 1.00 0.00 H new ATOM 0 HB2 GLN A 42 1.908 -7.469 -2.397 1.00 0.00 H new ATOM 0 HB3 GLN A 42 1.943 -8.832 -3.498 1.00 0.00 H new ATOM 0 HG2 GLN A 42 3.308 -6.412 -4.551 1.00 0.00 H new ATOM 0 HG3 GLN A 42 4.035 -7.049 -3.090 1.00 0.00 H new ATOM 0 HE21 GLN A 42 4.332 -9.458 -3.018 1.00 0.00 H new ATOM 0 HE22 GLN A 42 4.934 -10.249 -4.479 1.00 0.00 H new ATOM 552 N ASN A 43 0.227 -8.423 -6.173 1.00 0.00 N ATOM 553 CA ASN A 43 0.194 -8.823 -7.569 1.00 0.00 C ATOM 554 C ASN A 43 0.191 -7.574 -8.453 1.00 0.00 C ATOM 555 O ASN A 43 0.840 -7.547 -9.498 1.00 0.00 O ATOM 556 CB ASN A 43 -1.070 -9.626 -7.882 1.00 0.00 C ATOM 557 CG ASN A 43 -0.980 -10.273 -9.266 1.00 0.00 C ATOM 558 OD1 ASN A 43 0.038 -10.228 -9.935 1.00 0.00 O ATOM 559 ND2 ASN A 43 -2.101 -10.875 -9.655 1.00 0.00 N ATOM 0 H ASN A 43 -0.424 -8.926 -5.569 1.00 0.00 H new ATOM 0 HA ASN A 43 1.071 -9.440 -7.764 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -1.212 -10.397 -7.125 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -1.941 -8.972 -7.838 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -2.143 -11.336 -10.564 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -2.918 -10.875 -9.045 1.00 0.00 H new ATOM 564 N GLN A 44 -0.545 -6.570 -8.001 1.00 0.00 N ATOM 565 CA GLN A 44 -0.635 -5.318 -8.735 1.00 0.00 C ATOM 566 C GLN A 44 0.497 -4.377 -8.319 1.00 0.00 C ATOM 567 O GLN A 44 1.224 -3.863 -9.168 1.00 0.00 O ATOM 568 CB GLN A 44 -2.001 -4.660 -8.528 1.00 0.00 C ATOM 569 CG GLN A 44 -2.986 -5.085 -9.618 1.00 0.00 C ATOM 570 CD GLN A 44 -3.519 -6.495 -9.356 1.00 0.00 C ATOM 571 OE1 GLN A 44 -4.500 -6.696 -8.659 1.00 0.00 O ATOM 572 NE2 GLN A 44 -2.819 -7.457 -9.952 1.00 0.00 N ATOM 0 H GLN A 44 -1.085 -6.597 -7.136 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.529 -5.533 -9.798 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -2.396 -4.934 -7.550 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -1.891 -3.576 -8.535 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -3.816 -4.380 -9.658 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -2.494 -5.053 -10.590 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -2.008 -7.219 -10.522 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -3.094 -8.433 -9.839 1.00 0.00 H new ATOM 579 N GLU A 45 0.610 -4.178 -7.014 1.00 0.00 N ATOM 580 CA GLU A 45 1.534 -3.189 -6.485 1.00 0.00 C ATOM 581 C GLU A 45 2.961 -3.502 -6.938 1.00 0.00 C ATOM 582 O GLU A 45 3.429 -4.630 -6.799 1.00 0.00 O ATOM 583 CB GLU A 45 1.447 -3.119 -4.959 1.00 0.00 C ATOM 584 CG GLU A 45 2.148 -1.868 -4.426 1.00 0.00 C ATOM 585 CD GLU A 45 2.684 -2.100 -3.013 1.00 0.00 C ATOM 586 OE1 GLU A 45 3.798 -1.657 -2.692 1.00 0.00 O ATOM 587 OE2 GLU A 45 1.901 -2.766 -2.234 1.00 0.00 O ATOM 0 H GLU A 45 0.077 -4.685 -6.307 1.00 0.00 H new ATOM 0 HA GLU A 45 1.254 -2.211 -6.878 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.401 -3.113 -4.651 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.903 -4.009 -4.524 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.969 -1.596 -5.090 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.451 -1.030 -4.421 1.00 0.00 H new ATOM 593 N PHE A 46 3.615 -2.479 -7.472 1.00 0.00 N ATOM 594 CA PHE A 46 5.057 -2.521 -7.644 1.00 0.00 C ATOM 595 C PHE A 46 5.773 -2.409 -6.296 1.00 0.00 C ATOM 596 O PHE A 46 6.449 -1.417 -6.028 1.00 0.00 O ATOM 597 CB PHE A 46 5.438 -1.320 -8.512 1.00 0.00 C ATOM 598 CG PHE A 46 6.924 -1.261 -8.873 1.00 0.00 C ATOM 599 CD1 PHE A 46 7.469 -2.220 -9.671 1.00 0.00 C ATOM 600 CD2 PHE A 46 7.700 -0.250 -8.398 1.00 0.00 C ATOM 601 CE1 PHE A 46 8.847 -2.165 -10.006 1.00 0.00 C ATOM 602 CE2 PHE A 46 9.079 -0.196 -8.733 1.00 0.00 C ATOM 603 CZ PHE A 46 9.623 -1.154 -9.531 1.00 0.00 C ATOM 0 H PHE A 46 3.172 -1.617 -7.791 1.00 0.00 H new ATOM 0 HA PHE A 46 5.350 -3.465 -8.104 1.00 0.00 H new ATOM 0 HB2 PHE A 46 4.852 -1.348 -9.431 1.00 0.00 H new ATOM 0 HB3 PHE A 46 5.165 -0.404 -7.988 1.00 0.00 H new ATOM 0 HD1 PHE A 46 6.853 -3.022 -10.049 1.00 0.00 H new ATOM 0 HD2 PHE A 46 7.268 0.512 -7.766 1.00 0.00 H new ATOM 0 HE1 PHE A 46 9.280 -2.926 -10.638 1.00 0.00 H new ATOM 0 HE2 PHE A 46 9.696 0.606 -8.354 1.00 0.00 H new ATOM 0 HZ PHE A 46 10.671 -1.112 -9.787 1.00 0.00 H new ATOM 612 N GLU A 47 5.601 -3.442 -5.483 1.00 0.00 N ATOM 613 CA GLU A 47 6.131 -3.425 -4.131 1.00 0.00 C ATOM 614 C GLU A 47 7.638 -3.690 -4.149 1.00 0.00 C ATOM 615 O GLU A 47 8.089 -4.760 -3.742 1.00 0.00 O ATOM 616 CB GLU A 47 5.407 -4.441 -3.245 1.00 0.00 C ATOM 617 CG GLU A 47 5.707 -4.191 -1.766 1.00 0.00 C ATOM 618 CD GLU A 47 4.537 -4.639 -0.886 1.00 0.00 C ATOM 619 OE1 GLU A 47 4.434 -5.827 -0.550 1.00 0.00 O ATOM 620 OE2 GLU A 47 3.718 -3.701 -0.551 1.00 0.00 O ATOM 0 H GLU A 47 5.102 -4.295 -5.735 1.00 0.00 H new ATOM 0 HA GLU A 47 5.960 -2.436 -3.707 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.333 -4.379 -3.417 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.715 -5.451 -3.517 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.610 -4.729 -1.478 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.903 -3.131 -1.605 1.00 0.00 H new ATOM 626 N SER A 48 8.375 -2.697 -4.624 1.00 0.00 N ATOM 627 CA SER A 48 9.807 -2.854 -4.816 1.00 0.00 C ATOM 628 C SER A 48 10.085 -4.052 -5.727 1.00 0.00 C ATOM 629 O SER A 48 11.119 -4.706 -5.599 1.00 0.00 O ATOM 630 CB SER A 48 10.527 -3.027 -3.478 1.00 0.00 C ATOM 631 OG SER A 48 10.557 -4.387 -3.059 1.00 0.00 O ATOM 0 H SER A 48 8.008 -1.781 -4.882 1.00 0.00 H new ATOM 0 HA SER A 48 10.189 -1.949 -5.289 1.00 0.00 H new ATOM 0 HB2 SER A 48 11.547 -2.652 -3.564 1.00 0.00 H new ATOM 0 HB3 SER A 48 10.029 -2.425 -2.718 1.00 0.00 H new ATOM 0 HG SER A 48 9.642 -4.733 -3.004 1.00 0.00 H new ATOM 636 N ALA A 49 9.144 -4.302 -6.625 1.00 0.00 N ATOM 637 CA ALA A 49 9.144 -5.542 -7.384 1.00 0.00 C ATOM 638 C ALA A 49 10.018 -5.373 -8.628 1.00 0.00 C ATOM 639 O ALA A 49 9.578 -5.652 -9.742 1.00 0.00 O ATOM 640 CB ALA A 49 7.706 -5.930 -7.729 1.00 0.00 C ATOM 0 H ALA A 49 8.376 -3.667 -6.845 1.00 0.00 H new ATOM 0 HA ALA A 49 9.567 -6.354 -6.792 1.00 0.00 H new ATOM 0 HB1 ALA A 49 7.707 -6.860 -8.298 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.136 -6.067 -6.810 1.00 0.00 H new ATOM 0 HB3 ALA A 49 7.249 -5.140 -8.325 1.00 0.00 H new ATOM 646 N ALA A 50 11.241 -4.918 -8.395 1.00 0.00 N ATOM 647 CA ALA A 50 12.073 -4.425 -9.480 1.00 0.00 C ATOM 648 C ALA A 50 12.757 -5.606 -10.170 1.00 0.00 C ATOM 649 O ALA A 50 12.914 -5.613 -11.390 1.00 0.00 O ATOM 650 CB ALA A 50 13.077 -3.409 -8.931 1.00 0.00 C ATOM 0 H ALA A 50 11.675 -4.880 -7.473 1.00 0.00 H new ATOM 0 HA ALA A 50 11.466 -3.914 -10.227 1.00 0.00 H new ATOM 0 HB1 ALA A 50 13.701 -3.039 -9.744 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.540 -2.576 -8.477 1.00 0.00 H new ATOM 0 HB3 ALA A 50 13.705 -3.888 -8.180 1.00 0.00 H new ATOM 656 N GLY A 51 13.146 -6.580 -9.359 1.00 0.00 N ATOM 657 CA GLY A 51 13.813 -7.763 -9.875 1.00 0.00 C ATOM 658 C GLY A 51 12.895 -8.539 -10.823 1.00 0.00 C ATOM 659 O GLY A 51 13.355 -9.096 -11.818 1.00 0.00 O ATOM 0 H GLY A 51 13.012 -6.573 -8.348 1.00 0.00 H new ATOM 0 HA2 GLY A 51 14.723 -7.472 -10.400 1.00 0.00 H new ATOM 0 HA3 GLY A 51 14.114 -8.405 -9.048 1.00 0.00 H new ATOM 663 N SER A 52 11.616 -8.550 -10.480 1.00 0.00 N ATOM 664 CA SER A 52 10.630 -9.247 -11.288 1.00 0.00 C ATOM 665 C SER A 52 10.384 -8.483 -12.589 1.00 0.00 C ATOM 666 O SER A 52 10.200 -9.088 -13.644 1.00 0.00 O ATOM 667 CB SER A 52 9.318 -9.428 -10.521 1.00 0.00 C ATOM 668 OG SER A 52 9.036 -8.315 -9.677 1.00 0.00 O ATOM 0 H SER A 52 11.239 -8.087 -9.653 1.00 0.00 H new ATOM 0 HA SER A 52 11.020 -10.237 -11.525 1.00 0.00 H new ATOM 0 HB2 SER A 52 8.500 -9.563 -11.229 1.00 0.00 H new ATOM 0 HB3 SER A 52 9.372 -10.335 -9.919 1.00 0.00 H new ATOM 0 HG SER A 52 9.378 -7.495 -10.091 1.00 0.00 H new ATOM 673 N THR A 53 10.388 -7.163 -12.473 1.00 0.00 N ATOM 674 CA THR A 53 10.079 -6.310 -13.608 1.00 0.00 C ATOM 675 C THR A 53 11.165 -6.433 -14.678 1.00 0.00 C ATOM 676 O THR A 53 12.318 -6.078 -14.440 1.00 0.00 O ATOM 677 CB THR A 53 9.893 -4.883 -13.091 1.00 0.00 C ATOM 678 OG1 THR A 53 8.698 -4.946 -12.319 1.00 0.00 O ATOM 679 CG2 THR A 53 9.563 -3.893 -14.209 1.00 0.00 C ATOM 0 H THR A 53 10.601 -6.663 -11.610 1.00 0.00 H new ATOM 0 HA THR A 53 9.153 -6.617 -14.093 1.00 0.00 H new ATOM 0 HB THR A 53 10.800 -4.562 -12.579 1.00 0.00 H new ATOM 0 HG1 THR A 53 8.917 -5.191 -11.396 1.00 0.00 H new ATOM 0 HG21 THR A 53 9.441 -2.895 -13.787 1.00 0.00 H new ATOM 0 HG22 THR A 53 10.374 -3.883 -14.937 1.00 0.00 H new ATOM 0 HG23 THR A 53 8.638 -4.194 -14.701 1.00 0.00 H new ATOM 687 N THR A 54 10.758 -6.936 -15.834 1.00 0.00 N ATOM 688 CA THR A 54 11.699 -7.196 -16.910 1.00 0.00 C ATOM 689 C THR A 54 12.815 -8.127 -16.430 1.00 0.00 C ATOM 690 O THR A 54 13.993 -7.863 -16.667 1.00 0.00 O ATOM 691 CB THR A 54 12.212 -5.849 -17.426 1.00 0.00 C ATOM 692 OG1 THR A 54 11.032 -5.066 -17.579 1.00 0.00 O ATOM 693 CG2 THR A 54 12.785 -5.944 -18.841 1.00 0.00 C ATOM 0 H THR A 54 9.789 -7.171 -16.049 1.00 0.00 H new ATOM 0 HA THR A 54 11.218 -7.716 -17.738 1.00 0.00 H new ATOM 0 HB THR A 54 12.978 -5.468 -16.751 1.00 0.00 H new ATOM 0 HG1 THR A 54 11.271 -4.175 -17.909 1.00 0.00 H new ATOM 0 HG21 THR A 54 13.135 -4.962 -19.159 1.00 0.00 H new ATOM 0 HG22 THR A 54 13.619 -6.646 -18.850 1.00 0.00 H new ATOM 0 HG23 THR A 54 12.011 -6.292 -19.525 1.00 0.00 H new ATOM 701 N LEU A 55 12.404 -9.195 -15.763 1.00 0.00 N ATOM 702 CA LEU A 55 13.333 -10.248 -15.392 1.00 0.00 C ATOM 703 C LEU A 55 13.883 -10.908 -16.659 1.00 0.00 C ATOM 704 O LEU A 55 15.066 -11.237 -16.728 1.00 0.00 O ATOM 705 CB LEU A 55 12.671 -11.232 -14.425 1.00 0.00 C ATOM 706 CG LEU A 55 13.556 -12.368 -13.912 1.00 0.00 C ATOM 707 CD1 LEU A 55 13.302 -12.634 -12.427 1.00 0.00 C ATOM 708 CD2 LEU A 55 13.378 -13.630 -14.759 1.00 0.00 C ATOM 0 H LEU A 55 11.440 -9.354 -15.470 1.00 0.00 H new ATOM 0 HA LEU A 55 14.184 -9.831 -14.853 1.00 0.00 H new ATOM 0 HB2 LEU A 55 12.299 -10.672 -13.567 1.00 0.00 H new ATOM 0 HB3 LEU A 55 11.804 -11.669 -14.920 1.00 0.00 H new ATOM 0 HG LEU A 55 14.597 -12.059 -14.011 1.00 0.00 H new ATOM 0 HD11 LEU A 55 13.944 -13.447 -12.088 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.522 -11.734 -11.853 1.00 0.00 H new ATOM 0 HD13 LEU A 55 12.258 -12.911 -12.280 1.00 0.00 H new ATOM 0 HD21 LEU A 55 14.019 -14.422 -14.372 1.00 0.00 H new ATOM 0 HD22 LEU A 55 12.338 -13.953 -14.717 1.00 0.00 H new ATOM 0 HD23 LEU A 55 13.650 -13.416 -15.793 1.00 0.00 H new ATOM 719 N GLY A 56 12.998 -11.080 -17.629 1.00 0.00 N ATOM 720 CA GLY A 56 13.381 -11.692 -18.891 1.00 0.00 C ATOM 721 C GLY A 56 12.202 -11.719 -19.867 1.00 0.00 C ATOM 722 O GLY A 56 11.138 -11.178 -19.574 1.00 0.00 O ATOM 0 H GLY A 56 12.017 -10.807 -17.567 1.00 0.00 H new ATOM 0 HA2 GLY A 56 14.210 -11.138 -19.331 1.00 0.00 H new ATOM 0 HA3 GLY A 56 13.735 -12.708 -18.714 1.00 0.00 H new ATOM 726 N PRO A 57 12.440 -12.370 -21.036 1.00 0.00 N ATOM 727 CA PRO A 57 11.399 -12.509 -22.041 1.00 0.00 C ATOM 728 C PRO A 57 10.370 -13.562 -21.622 1.00 0.00 C ATOM 729 O PRO A 57 10.649 -14.401 -20.767 1.00 0.00 O ATOM 730 CB PRO A 57 12.133 -12.872 -23.321 1.00 0.00 C ATOM 731 CG PRO A 57 13.500 -13.377 -22.889 1.00 0.00 C ATOM 732 CD PRO A 57 13.701 -12.990 -21.432 1.00 0.00 C ATOM 0 HA PRO A 57 10.820 -11.596 -22.176 1.00 0.00 H new ATOM 0 HB2 PRO A 57 11.592 -13.637 -23.878 1.00 0.00 H new ATOM 0 HB3 PRO A 57 12.226 -12.006 -23.977 1.00 0.00 H new ATOM 0 HG2 PRO A 57 13.563 -14.459 -23.009 1.00 0.00 H new ATOM 0 HG3 PRO A 57 14.282 -12.941 -23.511 1.00 0.00 H new ATOM 0 HD2 PRO A 57 13.923 -13.862 -20.818 1.00 0.00 H new ATOM 0 HD3 PRO A 57 14.536 -12.298 -21.317 1.00 0.00 H new ATOM 737 N GLN A 58 9.203 -13.482 -22.245 1.00 0.00 N ATOM 738 CA GLN A 58 8.125 -14.405 -21.933 1.00 0.00 C ATOM 739 C GLN A 58 8.490 -15.820 -22.387 1.00 0.00 C ATOM 740 O GLN A 58 8.716 -16.057 -23.573 1.00 0.00 O ATOM 741 CB GLN A 58 6.810 -13.947 -22.568 1.00 0.00 C ATOM 742 CG GLN A 58 5.637 -14.791 -22.069 1.00 0.00 C ATOM 743 CD GLN A 58 5.373 -14.539 -20.583 1.00 0.00 C ATOM 744 OE1 GLN A 58 4.855 -13.509 -20.185 1.00 0.00 O ATOM 745 NE2 GLN A 58 5.756 -15.534 -19.787 1.00 0.00 N ATOM 0 H GLN A 58 8.981 -12.793 -22.963 1.00 0.00 H new ATOM 0 HA GLN A 58 7.984 -14.416 -20.852 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.634 -12.898 -22.332 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.881 -14.022 -23.653 1.00 0.00 H new ATOM 0 HG2 GLN A 58 4.743 -14.555 -22.646 1.00 0.00 H new ATOM 0 HG3 GLN A 58 5.850 -15.848 -22.230 1.00 0.00 H new ATOM 0 HE21 GLN A 58 6.184 -16.370 -20.185 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.622 -15.461 -18.779 1.00 0.00 H new TER 752 GLN A 58