USER MOD reduce.3.24.130724 H: found=0, std=0, add=439, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 435 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 39 THR OG1 : rot -82:sc= 0.55 USER MOD Set 1.2: A 45 THR OG1 : rot -59:sc= -2.59! USER MOD Set 2.1: A 18 HIS : no HD1:sc= -0.499 X(o=-1.7,f=-2.1) USER MOD Set 2.2: A 29 TYR OH : rot 0:sc= -1.17 USER MOD Single : A 1 GLY N :NH3+ -125:sc= 0.0837 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.111 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0025 USER MOD Single : A 5 SER OG : rot -170:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.952 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.26 K(o=-0.26,f=-1.9!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.0418 X(o=-0.042,f=-0.52) USER MOD Single : A 14 ASN : amide:sc=-0.00972 X(o=-0.0097,f=-0.003) USER MOD Single : A 16 MET CE :methyl -130:sc= -3.77! (180deg=-6.39!) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 GLN : amide:sc= -5.79! C(o=-5.8!,f=-9.5!) USER MOD Single : A 23 MET CE :methyl 139:sc= -1.01 (180deg=-3.98!) USER MOD Single : A 26 GLN : amide:sc= -0.0163 X(o=-0.016,f=0) USER MOD Single : A 30 HIS : no HD1:sc= -0.0936 X(o=-0.094,f=0) USER MOD Single : A 34 GLN : amide:sc= -3.92! C(o=-3.9!,f=-7.4!) USER MOD Single : A 37 GLN : amide:sc= -0.0142 X(o=-0.014,f=0) USER MOD Single : A 41 SER OG : rot 58:sc= 1.29 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.0138 USER MOD Single : A 48 ASN : amide:sc= -5.09! K(o=-5.1!,f=-2.1) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -22.445 1.146 5.842 1.00 0.00 N ATOM 2 CA GLY A 1 -22.881 0.507 4.612 1.00 0.00 C ATOM 3 C GLY A 1 -24.019 -0.480 4.880 1.00 0.00 C ATOM 4 O GLY A 1 -24.680 -0.404 5.914 1.00 0.00 O ATOM 0 H1 GLY A 1 -22.494 2.179 5.733 1.00 0.00 H new ATOM 0 H2 GLY A 1 -23.063 0.851 6.624 1.00 0.00 H new ATOM 0 H3 GLY A 1 -21.465 0.866 6.050 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -23.212 1.265 3.902 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -22.042 -0.016 4.152 1.00 0.00 H new ATOM 8 N SER A 2 -24.212 -1.383 3.930 1.00 0.00 N ATOM 9 CA SER A 2 -25.258 -2.385 4.051 1.00 0.00 C ATOM 10 C SER A 2 -24.830 -3.676 3.351 1.00 0.00 C ATOM 11 O SER A 2 -24.762 -4.733 3.978 1.00 0.00 O ATOM 12 CB SER A 2 -26.577 -1.876 3.467 1.00 0.00 C ATOM 13 OG SER A 2 -26.434 -1.457 2.112 1.00 0.00 O ATOM 0 H SER A 2 -23.662 -1.442 3.073 1.00 0.00 H new ATOM 0 HA SER A 2 -25.415 -2.589 5.110 1.00 0.00 H new ATOM 0 HB2 SER A 2 -27.328 -2.664 3.526 1.00 0.00 H new ATOM 0 HB3 SER A 2 -26.942 -1.043 4.068 1.00 0.00 H new ATOM 0 HG SER A 2 -27.298 -1.141 1.775 1.00 0.00 H new ATOM 19 N SER A 3 -24.552 -3.549 2.062 1.00 0.00 N ATOM 20 CA SER A 3 -24.132 -4.692 1.270 1.00 0.00 C ATOM 21 C SER A 3 -22.728 -4.456 0.713 1.00 0.00 C ATOM 22 O SER A 3 -22.573 -4.051 -0.438 1.00 0.00 O ATOM 23 CB SER A 3 -25.117 -4.964 0.131 1.00 0.00 C ATOM 24 OG SER A 3 -24.578 -5.861 -0.837 1.00 0.00 O ATOM 0 H SER A 3 -24.610 -2.671 1.546 1.00 0.00 H new ATOM 0 HA SER A 3 -24.115 -5.569 1.917 1.00 0.00 H new ATOM 0 HB2 SER A 3 -26.037 -5.381 0.539 1.00 0.00 H new ATOM 0 HB3 SER A 3 -25.381 -4.024 -0.353 1.00 0.00 H new ATOM 0 HG SER A 3 -25.237 -6.011 -1.547 1.00 0.00 H new ATOM 30 N GLY A 4 -21.739 -4.719 1.555 1.00 0.00 N ATOM 31 CA GLY A 4 -20.352 -4.539 1.161 1.00 0.00 C ATOM 32 C GLY A 4 -19.647 -3.538 2.078 1.00 0.00 C ATOM 33 O GLY A 4 -19.723 -3.649 3.300 1.00 0.00 O ATOM 0 H GLY A 4 -21.871 -5.055 2.509 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -19.833 -5.497 1.195 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -20.306 -4.188 0.130 1.00 0.00 H new ATOM 37 N SER A 5 -18.976 -2.582 1.451 1.00 0.00 N ATOM 38 CA SER A 5 -18.258 -1.561 2.195 1.00 0.00 C ATOM 39 C SER A 5 -17.110 -2.197 2.981 1.00 0.00 C ATOM 40 O SER A 5 -17.305 -2.666 4.102 1.00 0.00 O ATOM 41 CB SER A 5 -19.195 -0.806 3.140 1.00 0.00 C ATOM 42 OG SER A 5 -19.747 0.356 2.529 1.00 0.00 O ATOM 0 H SER A 5 -18.915 -2.493 0.437 1.00 0.00 H new ATOM 0 HA SER A 5 -17.849 -0.843 1.484 1.00 0.00 H new ATOM 0 HB2 SER A 5 -20.002 -1.468 3.455 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.649 -0.518 4.038 1.00 0.00 H new ATOM 0 HG SER A 5 -20.210 0.893 3.206 1.00 0.00 H new ATOM 48 N SER A 6 -15.938 -2.192 2.363 1.00 0.00 N ATOM 49 CA SER A 6 -14.759 -2.763 2.991 1.00 0.00 C ATOM 50 C SER A 6 -15.028 -4.216 3.388 1.00 0.00 C ATOM 51 O SER A 6 -15.540 -4.482 4.474 1.00 0.00 O ATOM 52 CB SER A 6 -14.338 -1.948 4.216 1.00 0.00 C ATOM 53 OG SER A 6 -13.748 -0.703 3.851 1.00 0.00 O ATOM 0 H SER A 6 -15.780 -1.802 1.434 1.00 0.00 H new ATOM 0 HA SER A 6 -13.941 -2.735 2.271 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.208 -1.766 4.847 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.629 -2.525 4.809 1.00 0.00 H new ATOM 0 HG SER A 6 -13.494 -0.212 4.660 1.00 0.00 H new ATOM 59 N GLY A 7 -14.672 -5.118 2.485 1.00 0.00 N ATOM 60 CA GLY A 7 -14.869 -6.537 2.727 1.00 0.00 C ATOM 61 C GLY A 7 -15.430 -7.232 1.485 1.00 0.00 C ATOM 62 O GLY A 7 -14.757 -7.318 0.460 1.00 0.00 O ATOM 0 H GLY A 7 -14.248 -4.894 1.585 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.922 -6.997 3.009 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.552 -6.675 3.565 1.00 0.00 H new ATOM 66 N ALA A 8 -16.658 -7.711 1.619 1.00 0.00 N ATOM 67 CA ALA A 8 -17.318 -8.396 0.520 1.00 0.00 C ATOM 68 C ALA A 8 -17.558 -7.407 -0.622 1.00 0.00 C ATOM 69 O ALA A 8 -18.283 -6.427 -0.456 1.00 0.00 O ATOM 70 CB ALA A 8 -18.615 -9.035 1.021 1.00 0.00 C ATOM 0 H ALA A 8 -17.213 -7.638 2.472 1.00 0.00 H new ATOM 0 HA ALA A 8 -16.688 -9.198 0.134 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -19.110 -9.549 0.197 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -18.386 -9.751 1.810 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -19.274 -8.261 1.414 1.00 0.00 H new ATOM 76 N SER A 9 -16.936 -7.697 -1.755 1.00 0.00 N ATOM 77 CA SER A 9 -17.073 -6.845 -2.924 1.00 0.00 C ATOM 78 C SER A 9 -16.510 -5.454 -2.626 1.00 0.00 C ATOM 79 O SER A 9 -16.305 -5.098 -1.466 1.00 0.00 O ATOM 80 CB SER A 9 -18.535 -6.743 -3.363 1.00 0.00 C ATOM 81 OG SER A 9 -18.660 -6.594 -4.774 1.00 0.00 O ATOM 0 H SER A 9 -16.335 -8.511 -1.889 1.00 0.00 H new ATOM 0 HA SER A 9 -16.507 -7.292 -3.741 1.00 0.00 H new ATOM 0 HB2 SER A 9 -19.072 -7.636 -3.044 1.00 0.00 H new ATOM 0 HB3 SER A 9 -19.004 -5.894 -2.866 1.00 0.00 H new ATOM 0 HG SER A 9 -19.608 -6.534 -5.014 1.00 0.00 H new ATOM 87 N ASN A 10 -16.276 -4.704 -3.693 1.00 0.00 N ATOM 88 CA ASN A 10 -15.741 -3.360 -3.561 1.00 0.00 C ATOM 89 C ASN A 10 -14.369 -3.426 -2.887 1.00 0.00 C ATOM 90 O ASN A 10 -14.278 -3.518 -1.664 1.00 0.00 O ATOM 91 CB ASN A 10 -16.652 -2.487 -2.695 1.00 0.00 C ATOM 92 CG ASN A 10 -17.455 -1.510 -3.555 1.00 0.00 C ATOM 93 OD1 ASN A 10 -17.538 -1.633 -4.766 1.00 0.00 O ATOM 94 ND2 ASN A 10 -18.039 -0.535 -2.865 1.00 0.00 N ATOM 0 H ASN A 10 -16.447 -5.002 -4.653 1.00 0.00 H new ATOM 0 HA ASN A 10 -15.668 -2.926 -4.558 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -17.333 -3.119 -2.125 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -16.052 -1.933 -1.973 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -18.597 0.168 -3.349 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -17.929 -0.490 -1.852 1.00 0.00 H new ATOM 101 N SER A 11 -13.336 -3.377 -3.714 1.00 0.00 N ATOM 102 CA SER A 11 -11.973 -3.430 -3.214 1.00 0.00 C ATOM 103 C SER A 11 -11.571 -2.068 -2.645 1.00 0.00 C ATOM 104 O SER A 11 -10.971 -1.252 -3.343 1.00 0.00 O ATOM 105 CB SER A 11 -10.998 -3.854 -4.314 1.00 0.00 C ATOM 106 OG SER A 11 -11.078 -5.250 -4.589 1.00 0.00 O ATOM 0 H SER A 11 -13.415 -3.301 -4.728 1.00 0.00 H new ATOM 0 HA SER A 11 -11.929 -4.176 -2.420 1.00 0.00 H new ATOM 0 HB2 SER A 11 -11.211 -3.292 -5.224 1.00 0.00 H new ATOM 0 HB3 SER A 11 -9.981 -3.601 -4.014 1.00 0.00 H new ATOM 0 HG SER A 11 -10.442 -5.481 -5.298 1.00 0.00 H new ATOM 112 N GLN A 12 -11.918 -1.864 -1.382 1.00 0.00 N ATOM 113 CA GLN A 12 -11.601 -0.615 -0.712 1.00 0.00 C ATOM 114 C GLN A 12 -10.090 -0.371 -0.730 1.00 0.00 C ATOM 115 O GLN A 12 -9.643 0.771 -0.823 1.00 0.00 O ATOM 116 CB GLN A 12 -12.140 -0.609 0.720 1.00 0.00 C ATOM 117 CG GLN A 12 -13.406 0.244 0.826 1.00 0.00 C ATOM 118 CD GLN A 12 -13.061 1.735 0.863 1.00 0.00 C ATOM 119 OE1 GLN A 12 -12.145 2.170 1.541 1.00 0.00 O ATOM 120 NE2 GLN A 12 -13.845 2.490 0.099 1.00 0.00 N ATOM 0 H GLN A 12 -12.415 -2.543 -0.806 1.00 0.00 H new ATOM 0 HA GLN A 12 -12.087 0.198 -1.252 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -12.358 -1.630 1.035 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -11.379 -0.222 1.397 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -14.059 0.039 -0.022 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -13.958 -0.028 1.726 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -14.594 2.061 -0.444 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -13.697 3.498 0.056 1.00 0.00 H new ATOM 129 N LEU A 13 -9.346 -1.463 -0.638 1.00 0.00 N ATOM 130 CA LEU A 13 -7.895 -1.383 -0.643 1.00 0.00 C ATOM 131 C LEU A 13 -7.432 -0.667 -1.913 1.00 0.00 C ATOM 132 O LEU A 13 -6.651 0.281 -1.846 1.00 0.00 O ATOM 133 CB LEU A 13 -7.281 -2.772 -0.462 1.00 0.00 C ATOM 134 CG LEU A 13 -7.063 -3.226 0.983 1.00 0.00 C ATOM 135 CD1 LEU A 13 -7.327 -4.726 1.132 1.00 0.00 C ATOM 136 CD2 LEU A 13 -5.667 -2.838 1.475 1.00 0.00 C ATOM 0 H LEU A 13 -9.721 -2.408 -0.560 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.544 -0.792 0.203 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.924 -3.499 -0.957 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.321 -2.793 -0.977 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.783 -2.708 1.616 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.165 -5.023 2.168 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -8.357 -4.944 0.849 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.648 -5.281 0.485 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.538 -3.172 2.504 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.914 -3.310 0.843 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.553 -1.755 1.428 1.00 0.00 H new ATOM 148 N ASN A 14 -7.934 -1.147 -3.041 1.00 0.00 N ATOM 149 CA ASN A 14 -7.582 -0.565 -4.325 1.00 0.00 C ATOM 150 C ASN A 14 -7.550 0.960 -4.197 1.00 0.00 C ATOM 151 O ASN A 14 -6.586 1.601 -4.612 1.00 0.00 O ATOM 152 CB ASN A 14 -8.613 -0.928 -5.396 1.00 0.00 C ATOM 153 CG ASN A 14 -7.980 -1.776 -6.501 1.00 0.00 C ATOM 154 OD1 ASN A 14 -7.418 -2.832 -6.264 1.00 0.00 O ATOM 155 ND2 ASN A 14 -8.102 -1.255 -7.719 1.00 0.00 N ATOM 0 H ASN A 14 -8.582 -1.933 -3.093 1.00 0.00 H new ATOM 0 HA ASN A 14 -6.607 -0.956 -4.616 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -9.439 -1.475 -4.941 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -9.032 -0.018 -5.826 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -7.712 -1.745 -8.525 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -8.585 -0.366 -7.847 1.00 0.00 H new ATOM 162 N ALA A 15 -8.615 1.496 -3.620 1.00 0.00 N ATOM 163 CA ALA A 15 -8.721 2.933 -3.433 1.00 0.00 C ATOM 164 C ALA A 15 -7.525 3.425 -2.616 1.00 0.00 C ATOM 165 O ALA A 15 -6.799 4.319 -3.050 1.00 0.00 O ATOM 166 CB ALA A 15 -10.058 3.263 -2.765 1.00 0.00 C ATOM 0 H ALA A 15 -9.412 0.961 -3.276 1.00 0.00 H new ATOM 0 HA ALA A 15 -8.700 3.448 -4.393 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -10.138 4.341 -2.624 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -10.876 2.918 -3.398 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -10.113 2.766 -1.797 1.00 0.00 H new ATOM 172 N MET A 16 -7.356 2.821 -1.449 1.00 0.00 N ATOM 173 CA MET A 16 -6.260 3.187 -0.569 1.00 0.00 C ATOM 174 C MET A 16 -4.960 3.367 -1.356 1.00 0.00 C ATOM 175 O MET A 16 -4.297 4.396 -1.241 1.00 0.00 O ATOM 176 CB MET A 16 -6.070 2.099 0.490 1.00 0.00 C ATOM 177 CG MET A 16 -7.325 1.947 1.351 1.00 0.00 C ATOM 178 SD MET A 16 -6.866 1.645 3.050 1.00 0.00 S ATOM 179 CE MET A 16 -6.422 -0.081 2.948 1.00 0.00 C ATOM 0 H MET A 16 -7.960 2.080 -1.093 1.00 0.00 H new ATOM 0 HA MET A 16 -6.506 4.134 -0.089 1.00 0.00 H new ATOM 0 HB2 MET A 16 -5.840 1.150 0.005 1.00 0.00 H new ATOM 0 HB3 MET A 16 -5.218 2.348 1.123 1.00 0.00 H new ATOM 0 HG2 MET A 16 -7.933 2.849 1.285 1.00 0.00 H new ATOM 0 HG3 MET A 16 -7.934 1.124 0.978 1.00 0.00 H new ATOM 0 HE1 MET A 16 -6.931 -0.635 3.737 1.00 0.00 H new ATOM 0 HE2 MET A 16 -6.720 -0.476 1.977 1.00 0.00 H new ATOM 0 HE3 MET A 16 -5.344 -0.187 3.068 1.00 0.00 H new ATOM 189 N ALA A 17 -4.635 2.349 -2.139 1.00 0.00 N ATOM 190 CA ALA A 17 -3.427 2.381 -2.946 1.00 0.00 C ATOM 191 C ALA A 17 -3.376 3.695 -3.728 1.00 0.00 C ATOM 192 O ALA A 17 -2.415 4.454 -3.611 1.00 0.00 O ATOM 193 CB ALA A 17 -3.391 1.155 -3.861 1.00 0.00 C ATOM 0 H ALA A 17 -5.187 1.497 -2.232 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.541 2.340 -2.312 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -2.485 1.179 -4.466 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -3.399 0.249 -3.255 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.264 1.163 -4.514 1.00 0.00 H new ATOM 199 N HIS A 18 -4.422 3.923 -4.508 1.00 0.00 N ATOM 200 CA HIS A 18 -4.508 5.132 -5.310 1.00 0.00 C ATOM 201 C HIS A 18 -4.119 6.341 -4.457 1.00 0.00 C ATOM 202 O HIS A 18 -3.103 6.986 -4.714 1.00 0.00 O ATOM 203 CB HIS A 18 -5.897 5.271 -5.936 1.00 0.00 C ATOM 204 CG HIS A 18 -6.167 4.291 -7.053 1.00 0.00 C ATOM 205 ND1 HIS A 18 -5.390 4.223 -8.196 1.00 0.00 N ATOM 206 CD2 HIS A 18 -7.135 3.339 -7.188 1.00 0.00 C ATOM 207 CE1 HIS A 18 -5.878 3.272 -8.978 1.00 0.00 C ATOM 208 NE2 HIS A 18 -6.960 2.725 -8.352 1.00 0.00 N ATOM 0 H HIS A 18 -5.217 3.291 -4.602 1.00 0.00 H new ATOM 0 HA HIS A 18 -3.804 5.074 -6.140 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -6.650 5.137 -5.159 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -6.012 6.285 -6.320 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -7.912 3.122 -6.470 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -5.488 2.981 -9.942 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -7.539 1.969 -8.718 1.00 0.00 H new ATOM 216 N GLN A 19 -4.947 6.613 -3.460 1.00 0.00 N ATOM 217 CA GLN A 19 -4.703 7.734 -2.568 1.00 0.00 C ATOM 218 C GLN A 19 -3.209 7.848 -2.256 1.00 0.00 C ATOM 219 O GLN A 19 -2.647 8.942 -2.287 1.00 0.00 O ATOM 220 CB GLN A 19 -5.522 7.601 -1.282 1.00 0.00 C ATOM 221 CG GLN A 19 -6.254 8.905 -0.961 1.00 0.00 C ATOM 222 CD GLN A 19 -5.912 9.393 0.448 1.00 0.00 C ATOM 223 OE1 GLN A 19 -4.915 10.058 0.678 1.00 0.00 O ATOM 224 NE2 GLN A 19 -6.791 9.027 1.376 1.00 0.00 N ATOM 0 H GLN A 19 -5.788 6.076 -3.250 1.00 0.00 H new ATOM 0 HA GLN A 19 -5.021 8.648 -3.070 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -6.244 6.791 -1.388 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -4.865 7.335 -0.454 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -5.982 9.668 -1.690 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -7.330 8.753 -1.046 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -7.605 8.470 1.116 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -6.651 9.303 2.348 1.00 0.00 H new ATOM 233 N ILE A 20 -2.609 6.704 -1.963 1.00 0.00 N ATOM 234 CA ILE A 20 -1.192 6.662 -1.646 1.00 0.00 C ATOM 235 C ILE A 20 -0.383 6.975 -2.907 1.00 0.00 C ATOM 236 O ILE A 20 0.464 7.867 -2.899 1.00 0.00 O ATOM 237 CB ILE A 20 -0.827 5.326 -0.997 1.00 0.00 C ATOM 238 CG1 ILE A 20 -1.619 5.109 0.294 1.00 0.00 C ATOM 239 CG2 ILE A 20 0.682 5.221 -0.768 1.00 0.00 C ATOM 240 CD1 ILE A 20 -1.505 3.659 0.770 1.00 0.00 C ATOM 0 H ILE A 20 -3.079 5.799 -1.938 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.944 7.426 -0.909 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.105 4.526 -1.684 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -1.249 5.780 1.069 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -2.667 5.360 0.129 1.00 0.00 H new ATOM 0 HG21 ILE A 20 0.914 4.262 -0.306 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.201 5.298 -1.723 1.00 0.00 H new ATOM 0 HG23 ILE A 20 1.007 6.028 -0.112 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -2.077 3.532 1.689 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -1.898 2.992 0.003 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.458 3.419 0.958 1.00 0.00 H new ATOM 252 N GLN A 21 -0.671 6.223 -3.958 1.00 0.00 N ATOM 253 CA GLN A 21 0.019 6.408 -5.223 1.00 0.00 C ATOM 254 C GLN A 21 0.260 7.897 -5.483 1.00 0.00 C ATOM 255 O GLN A 21 1.327 8.283 -5.957 1.00 0.00 O ATOM 256 CB GLN A 21 -0.763 5.770 -6.373 1.00 0.00 C ATOM 257 CG GLN A 21 0.185 5.219 -7.441 1.00 0.00 C ATOM 258 CD GLN A 21 0.798 3.890 -6.996 1.00 0.00 C ATOM 259 OE1 GLN A 21 0.218 2.827 -7.147 1.00 0.00 O ATOM 260 NE2 GLN A 21 2.000 4.008 -6.439 1.00 0.00 N ATOM 0 H GLN A 21 -1.374 5.483 -3.960 1.00 0.00 H new ATOM 0 HA GLN A 21 0.986 5.908 -5.164 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -1.391 4.966 -5.989 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -1.429 6.509 -6.819 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -0.357 5.079 -8.376 1.00 0.00 H new ATOM 0 HG3 GLN A 21 0.977 5.942 -7.637 1.00 0.00 H new ATOM 0 HE21 GLN A 21 2.429 4.928 -6.343 1.00 0.00 H new ATOM 0 HE22 GLN A 21 2.492 3.178 -6.108 1.00 0.00 H new ATOM 269 N GLU A 22 -0.751 8.692 -5.162 1.00 0.00 N ATOM 270 CA GLU A 22 -0.662 10.129 -5.355 1.00 0.00 C ATOM 271 C GLU A 22 0.432 10.718 -4.463 1.00 0.00 C ATOM 272 O GLU A 22 1.424 11.249 -4.960 1.00 0.00 O ATOM 273 CB GLU A 22 -2.010 10.802 -5.086 1.00 0.00 C ATOM 274 CG GLU A 22 -2.943 10.661 -6.290 1.00 0.00 C ATOM 275 CD GLU A 22 -2.901 11.915 -7.167 1.00 0.00 C ATOM 276 OE1 GLU A 22 -3.249 12.991 -6.634 1.00 0.00 O ATOM 277 OE2 GLU A 22 -2.523 11.768 -8.349 1.00 0.00 O ATOM 0 H GLU A 22 -1.635 8.368 -4.770 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.398 10.321 -6.395 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.475 10.355 -4.207 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.855 11.858 -4.863 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.653 9.791 -6.879 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.963 10.488 -5.946 1.00 0.00 H new ATOM 284 N MET A 23 0.215 10.604 -3.161 1.00 0.00 N ATOM 285 CA MET A 23 1.171 11.119 -2.195 1.00 0.00 C ATOM 286 C MET A 23 2.549 10.487 -2.397 1.00 0.00 C ATOM 287 O MET A 23 3.555 11.192 -2.464 1.00 0.00 O ATOM 288 CB MET A 23 0.676 10.821 -0.778 1.00 0.00 C ATOM 289 CG MET A 23 -0.603 11.602 -0.469 1.00 0.00 C ATOM 290 SD MET A 23 -1.611 10.690 0.688 1.00 0.00 S ATOM 291 CE MET A 23 -0.432 10.455 2.008 1.00 0.00 C ATOM 0 H MET A 23 -0.609 10.163 -2.752 1.00 0.00 H new ATOM 0 HA MET A 23 1.261 12.196 -2.340 1.00 0.00 H new ATOM 0 HB2 MET A 23 0.489 9.753 -0.671 1.00 0.00 H new ATOM 0 HB3 MET A 23 1.450 11.083 -0.056 1.00 0.00 H new ATOM 0 HG2 MET A 23 -0.352 12.578 -0.054 1.00 0.00 H new ATOM 0 HG3 MET A 23 -1.161 11.780 -1.388 1.00 0.00 H new ATOM 0 HE1 MET A 23 -0.927 10.602 2.968 1.00 0.00 H new ATOM 0 HE2 MET A 23 -0.027 9.444 1.959 1.00 0.00 H new ATOM 0 HE3 MET A 23 0.379 11.176 1.904 1.00 0.00 H new ATOM 301 N PHE A 24 2.551 9.165 -2.490 1.00 0.00 N ATOM 302 CA PHE A 24 3.790 8.431 -2.684 1.00 0.00 C ATOM 303 C PHE A 24 3.720 7.560 -3.940 1.00 0.00 C ATOM 304 O PHE A 24 3.521 6.349 -3.850 1.00 0.00 O ATOM 305 CB PHE A 24 3.970 7.528 -1.461 1.00 0.00 C ATOM 306 CG PHE A 24 3.967 8.279 -0.128 1.00 0.00 C ATOM 307 CD1 PHE A 24 2.789 8.656 0.437 1.00 0.00 C ATOM 308 CD2 PHE A 24 5.142 8.568 0.493 1.00 0.00 C ATOM 309 CE1 PHE A 24 2.786 9.353 1.674 1.00 0.00 C ATOM 310 CE2 PHE A 24 5.139 9.264 1.730 1.00 0.00 C ATOM 311 CZ PHE A 24 3.961 9.642 2.295 1.00 0.00 C ATOM 0 H PHE A 24 1.715 8.584 -2.435 1.00 0.00 H new ATOM 0 HA PHE A 24 4.621 9.127 -2.803 1.00 0.00 H new ATOM 0 HB2 PHE A 24 3.172 6.785 -1.450 1.00 0.00 H new ATOM 0 HB3 PHE A 24 4.910 6.985 -1.558 1.00 0.00 H new ATOM 0 HD1 PHE A 24 1.856 8.425 -0.055 1.00 0.00 H new ATOM 0 HD2 PHE A 24 6.078 8.268 0.045 1.00 0.00 H new ATOM 0 HE1 PHE A 24 1.850 9.654 2.122 1.00 0.00 H new ATOM 0 HE2 PHE A 24 6.072 9.493 2.223 1.00 0.00 H new ATOM 0 HZ PHE A 24 3.959 10.171 3.236 1.00 0.00 H new ATOM 321 N PRO A 25 3.892 8.228 -5.112 1.00 0.00 N ATOM 322 CA PRO A 25 3.851 7.528 -6.385 1.00 0.00 C ATOM 323 C PRO A 25 5.135 6.727 -6.612 1.00 0.00 C ATOM 324 O PRO A 25 5.112 5.683 -7.262 1.00 0.00 O ATOM 325 CB PRO A 25 3.637 8.615 -7.425 1.00 0.00 C ATOM 326 CG PRO A 25 4.031 9.920 -6.751 1.00 0.00 C ATOM 327 CD PRO A 25 4.130 9.661 -5.256 1.00 0.00 C ATOM 0 HA PRO A 25 3.052 6.788 -6.432 1.00 0.00 H new ATOM 0 HB2 PRO A 25 4.246 8.433 -8.311 1.00 0.00 H new ATOM 0 HB3 PRO A 25 2.598 8.643 -7.753 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.984 10.278 -7.140 1.00 0.00 H new ATOM 0 HG3 PRO A 25 3.292 10.694 -6.956 1.00 0.00 H new ATOM 0 HD2 PRO A 25 5.110 9.940 -4.870 1.00 0.00 H new ATOM 0 HD3 PRO A 25 3.392 10.243 -4.704 1.00 0.00 H new ATOM 335 N GLN A 26 6.223 7.247 -6.064 1.00 0.00 N ATOM 336 CA GLN A 26 7.514 6.593 -6.199 1.00 0.00 C ATOM 337 C GLN A 26 7.361 5.079 -6.042 1.00 0.00 C ATOM 338 O GLN A 26 7.804 4.315 -6.898 1.00 0.00 O ATOM 339 CB GLN A 26 8.519 7.151 -5.189 1.00 0.00 C ATOM 340 CG GLN A 26 8.030 6.940 -3.755 1.00 0.00 C ATOM 341 CD GLN A 26 8.827 7.800 -2.772 1.00 0.00 C ATOM 342 OE1 GLN A 26 10.010 7.601 -2.551 1.00 0.00 O ATOM 343 NE2 GLN A 26 8.114 8.764 -2.196 1.00 0.00 N ATOM 0 H GLN A 26 6.238 8.113 -5.526 1.00 0.00 H new ATOM 0 HA GLN A 26 7.901 6.797 -7.197 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.484 6.663 -5.323 1.00 0.00 H new ATOM 0 HB3 GLN A 26 8.672 8.215 -5.372 1.00 0.00 H new ATOM 0 HG2 GLN A 26 6.971 7.190 -3.687 1.00 0.00 H new ATOM 0 HG3 GLN A 26 8.127 5.888 -3.485 1.00 0.00 H new ATOM 0 HE21 GLN A 26 7.127 8.875 -2.427 1.00 0.00 H new ATOM 0 HE22 GLN A 26 8.555 9.392 -1.524 1.00 0.00 H new ATOM 352 N VAL A 27 6.733 4.691 -4.942 1.00 0.00 N ATOM 353 CA VAL A 27 6.517 3.282 -4.661 1.00 0.00 C ATOM 354 C VAL A 27 5.535 2.707 -5.685 1.00 0.00 C ATOM 355 O VAL A 27 4.589 3.381 -6.089 1.00 0.00 O ATOM 356 CB VAL A 27 6.047 3.102 -3.216 1.00 0.00 C ATOM 357 CG1 VAL A 27 4.895 4.055 -2.892 1.00 0.00 C ATOM 358 CG2 VAL A 27 5.650 1.649 -2.946 1.00 0.00 C ATOM 0 H VAL A 27 6.367 5.328 -4.235 1.00 0.00 H new ATOM 0 HA VAL A 27 7.450 2.726 -4.757 1.00 0.00 H new ATOM 0 HB VAL A 27 6.881 3.349 -2.559 1.00 0.00 H new ATOM 0 HG11 VAL A 27 4.580 3.907 -1.859 1.00 0.00 H new ATOM 0 HG12 VAL A 27 5.226 5.085 -3.026 1.00 0.00 H new ATOM 0 HG13 VAL A 27 4.057 3.853 -3.560 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.320 1.548 -1.912 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.839 1.363 -3.616 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.508 0.999 -3.118 1.00 0.00 H new ATOM 368 N PRO A 28 5.801 1.435 -6.085 1.00 0.00 N ATOM 369 CA PRO A 28 4.952 0.762 -7.053 1.00 0.00 C ATOM 370 C PRO A 28 3.633 0.323 -6.415 1.00 0.00 C ATOM 371 O PRO A 28 3.588 0.014 -5.225 1.00 0.00 O ATOM 372 CB PRO A 28 5.784 -0.404 -7.562 1.00 0.00 C ATOM 373 CG PRO A 28 6.879 -0.616 -6.530 1.00 0.00 C ATOM 374 CD PRO A 28 6.913 0.606 -5.627 1.00 0.00 C ATOM 0 HA PRO A 28 4.656 1.412 -7.876 1.00 0.00 H new ATOM 0 HB2 PRO A 28 5.174 -1.300 -7.674 1.00 0.00 H new ATOM 0 HB3 PRO A 28 6.208 -0.183 -8.542 1.00 0.00 H new ATOM 0 HG2 PRO A 28 6.684 -1.516 -5.947 1.00 0.00 H new ATOM 0 HG3 PRO A 28 7.843 -0.756 -7.020 1.00 0.00 H new ATOM 0 HD2 PRO A 28 6.795 0.328 -4.580 1.00 0.00 H new ATOM 0 HD3 PRO A 28 7.862 1.135 -5.711 1.00 0.00 H new ATOM 382 N TYR A 29 2.592 0.309 -7.234 1.00 0.00 N ATOM 383 CA TYR A 29 1.275 -0.088 -6.764 1.00 0.00 C ATOM 384 C TYR A 29 1.275 -1.545 -6.299 1.00 0.00 C ATOM 385 O TYR A 29 0.861 -1.843 -5.179 1.00 0.00 O ATOM 386 CB TYR A 29 0.339 0.051 -7.966 1.00 0.00 C ATOM 387 CG TYR A 29 -1.113 0.354 -7.592 1.00 0.00 C ATOM 388 CD1 TYR A 29 -1.803 -0.501 -6.757 1.00 0.00 C ATOM 389 CD2 TYR A 29 -1.733 1.482 -8.089 1.00 0.00 C ATOM 390 CE1 TYR A 29 -3.170 -0.216 -6.405 1.00 0.00 C ATOM 391 CE2 TYR A 29 -3.100 1.767 -7.737 1.00 0.00 C ATOM 392 CZ TYR A 29 -3.751 0.904 -6.912 1.00 0.00 C ATOM 393 OH TYR A 29 -5.042 1.173 -6.580 1.00 0.00 O ATOM 0 H TYR A 29 2.633 0.566 -8.220 1.00 0.00 H new ATOM 0 HA TYR A 29 0.967 0.529 -5.920 1.00 0.00 H new ATOM 0 HB2 TYR A 29 0.710 0.846 -8.613 1.00 0.00 H new ATOM 0 HB3 TYR A 29 0.369 -0.872 -8.546 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -1.318 -1.384 -6.368 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -1.193 2.151 -8.742 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -3.721 -0.877 -5.753 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -3.597 2.646 -8.120 1.00 0.00 H new ATOM 0 HH TYR A 29 -5.380 0.470 -5.986 1.00 0.00 H new ATOM 403 N HIS A 30 1.744 -2.415 -7.181 1.00 0.00 N ATOM 404 CA HIS A 30 1.804 -3.834 -6.875 1.00 0.00 C ATOM 405 C HIS A 30 2.252 -4.028 -5.425 1.00 0.00 C ATOM 406 O HIS A 30 1.608 -4.747 -4.663 1.00 0.00 O ATOM 407 CB HIS A 30 2.698 -4.569 -7.875 1.00 0.00 C ATOM 408 CG HIS A 30 3.096 -5.958 -7.438 1.00 0.00 C ATOM 409 ND1 HIS A 30 2.390 -7.091 -7.804 1.00 0.00 N ATOM 410 CD2 HIS A 30 4.134 -6.386 -6.663 1.00 0.00 C ATOM 411 CE1 HIS A 30 2.984 -8.146 -7.267 1.00 0.00 C ATOM 412 NE2 HIS A 30 4.064 -7.707 -6.560 1.00 0.00 N ATOM 0 H HIS A 30 2.086 -2.164 -8.109 1.00 0.00 H new ATOM 0 HA HIS A 30 0.811 -4.273 -6.974 1.00 0.00 H new ATOM 0 HB2 HIS A 30 2.178 -4.635 -8.831 1.00 0.00 H new ATOM 0 HB3 HIS A 30 3.600 -3.980 -8.042 1.00 0.00 H new ATOM 0 HD2 HIS A 30 4.885 -5.756 -6.210 1.00 0.00 H new ATOM 0 HE1 HIS A 30 2.668 -9.174 -7.371 1.00 0.00 H new ATOM 0 HE2 HIS A 30 4.712 -8.297 -6.038 1.00 0.00 H new ATOM 420 N LEU A 31 3.353 -3.373 -5.087 1.00 0.00 N ATOM 421 CA LEU A 31 3.895 -3.464 -3.742 1.00 0.00 C ATOM 422 C LEU A 31 2.905 -2.844 -2.755 1.00 0.00 C ATOM 423 O LEU A 31 2.502 -3.487 -1.787 1.00 0.00 O ATOM 424 CB LEU A 31 5.292 -2.843 -3.685 1.00 0.00 C ATOM 425 CG LEU A 31 6.448 -3.750 -4.111 1.00 0.00 C ATOM 426 CD1 LEU A 31 7.752 -2.958 -4.231 1.00 0.00 C ATOM 427 CD2 LEU A 31 6.587 -4.943 -3.164 1.00 0.00 C ATOM 0 H LEU A 31 3.885 -2.777 -5.722 1.00 0.00 H new ATOM 0 HA LEU A 31 4.023 -4.507 -3.452 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.300 -1.956 -4.319 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.477 -2.507 -2.665 1.00 0.00 H new ATOM 0 HG LEU A 31 6.222 -4.149 -5.100 1.00 0.00 H new ATOM 0 HD11 LEU A 31 8.557 -3.627 -4.535 1.00 0.00 H new ATOM 0 HD12 LEU A 31 7.633 -2.171 -4.976 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.996 -2.511 -3.267 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.416 -5.571 -3.490 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.779 -4.584 -2.153 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.665 -5.525 -3.174 1.00 0.00 H new ATOM 439 N VAL A 32 2.541 -1.600 -3.033 1.00 0.00 N ATOM 440 CA VAL A 32 1.606 -0.886 -2.182 1.00 0.00 C ATOM 441 C VAL A 32 0.482 -1.834 -1.758 1.00 0.00 C ATOM 442 O VAL A 32 0.300 -2.094 -0.570 1.00 0.00 O ATOM 443 CB VAL A 32 1.094 0.365 -2.900 1.00 0.00 C ATOM 444 CG1 VAL A 32 -0.082 0.988 -2.145 1.00 0.00 C ATOM 445 CG2 VAL A 32 2.220 1.382 -3.098 1.00 0.00 C ATOM 0 H VAL A 32 2.877 -1.069 -3.836 1.00 0.00 H new ATOM 0 HA VAL A 32 2.102 -0.543 -1.274 1.00 0.00 H new ATOM 0 HB VAL A 32 0.737 0.064 -3.885 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -0.427 1.875 -2.676 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.896 0.266 -2.079 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.237 1.268 -1.141 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.830 2.261 -3.610 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.620 1.675 -2.127 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.013 0.935 -3.697 1.00 0.00 H new ATOM 455 N LEU A 33 -0.242 -2.324 -2.754 1.00 0.00 N ATOM 456 CA LEU A 33 -1.343 -3.237 -2.499 1.00 0.00 C ATOM 457 C LEU A 33 -0.907 -4.281 -1.469 1.00 0.00 C ATOM 458 O LEU A 33 -1.402 -4.293 -0.343 1.00 0.00 O ATOM 459 CB LEU A 33 -1.852 -3.841 -3.809 1.00 0.00 C ATOM 460 CG LEU A 33 -2.844 -2.987 -4.602 1.00 0.00 C ATOM 461 CD1 LEU A 33 -3.009 -3.519 -6.026 1.00 0.00 C ATOM 462 CD2 LEU A 33 -4.183 -2.881 -3.870 1.00 0.00 C ATOM 0 H LEU A 33 -0.088 -2.106 -3.738 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.190 -2.701 -2.071 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.993 -4.051 -4.447 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.324 -4.797 -3.585 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.440 -1.978 -4.681 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.719 -2.894 -6.568 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.046 -3.499 -6.536 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.380 -4.543 -5.991 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.870 -2.269 -4.455 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.606 -3.877 -3.739 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.029 -2.421 -2.894 1.00 0.00 H new ATOM 474 N GLN A 34 0.017 -5.132 -1.891 1.00 0.00 N ATOM 475 CA GLN A 34 0.526 -6.177 -1.020 1.00 0.00 C ATOM 476 C GLN A 34 0.697 -5.644 0.404 1.00 0.00 C ATOM 477 O GLN A 34 -0.035 -6.037 1.310 1.00 0.00 O ATOM 478 CB GLN A 34 1.842 -6.745 -1.555 1.00 0.00 C ATOM 479 CG GLN A 34 1.912 -8.259 -1.344 1.00 0.00 C ATOM 480 CD GLN A 34 3.064 -8.629 -0.408 1.00 0.00 C ATOM 481 OE1 GLN A 34 2.895 -8.801 0.788 1.00 0.00 O ATOM 482 NE2 GLN A 34 4.241 -8.741 -1.017 1.00 0.00 N ATOM 0 H GLN A 34 0.426 -5.119 -2.825 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.200 -6.990 -0.998 1.00 0.00 H new ATOM 0 HB2 GLN A 34 1.935 -6.518 -2.617 1.00 0.00 H new ATOM 0 HB3 GLN A 34 2.681 -6.265 -1.051 1.00 0.00 H new ATOM 0 HG2 GLN A 34 0.970 -8.616 -0.926 1.00 0.00 H new ATOM 0 HG3 GLN A 34 2.044 -8.758 -2.304 1.00 0.00 H new ATOM 0 HE21 GLN A 34 4.312 -8.583 -2.022 1.00 0.00 H new ATOM 0 HE22 GLN A 34 5.073 -8.984 -0.479 1.00 0.00 H new ATOM 491 N ASP A 35 1.670 -4.757 0.556 1.00 0.00 N ATOM 492 CA ASP A 35 1.947 -4.166 1.855 1.00 0.00 C ATOM 493 C ASP A 35 0.628 -3.779 2.526 1.00 0.00 C ATOM 494 O ASP A 35 0.441 -4.018 3.718 1.00 0.00 O ATOM 495 CB ASP A 35 2.795 -2.901 1.714 1.00 0.00 C ATOM 496 CG ASP A 35 3.489 -2.441 2.997 1.00 0.00 C ATOM 497 OD1 ASP A 35 4.473 -3.111 3.381 1.00 0.00 O ATOM 498 OD2 ASP A 35 3.021 -1.431 3.566 1.00 0.00 O ATOM 0 H ASP A 35 2.276 -4.433 -0.198 1.00 0.00 H new ATOM 0 HA ASP A 35 2.490 -4.900 2.451 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.554 -3.074 0.950 1.00 0.00 H new ATOM 0 HB3 ASP A 35 2.158 -2.093 1.354 1.00 0.00 H new ATOM 503 N LEU A 36 -0.252 -3.188 1.732 1.00 0.00 N ATOM 504 CA LEU A 36 -1.549 -2.766 2.235 1.00 0.00 C ATOM 505 C LEU A 36 -2.277 -3.971 2.831 1.00 0.00 C ATOM 506 O LEU A 36 -2.878 -3.872 3.900 1.00 0.00 O ATOM 507 CB LEU A 36 -2.341 -2.049 1.139 1.00 0.00 C ATOM 508 CG LEU A 36 -2.719 -0.595 1.427 1.00 0.00 C ATOM 509 CD1 LEU A 36 -1.516 0.332 1.241 1.00 0.00 C ATOM 510 CD2 LEU A 36 -3.914 -0.160 0.576 1.00 0.00 C ATOM 0 H LEU A 36 -0.093 -2.991 0.744 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.428 -2.038 3.037 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.757 -2.076 0.219 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.256 -2.611 0.952 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.023 -0.522 2.471 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.812 1.359 1.452 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.720 0.036 1.924 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.158 0.261 0.214 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.162 0.877 0.800 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.661 -0.252 -0.480 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.771 -0.795 0.801 1.00 0.00 H new ATOM 522 N GLN A 37 -2.200 -5.083 2.114 1.00 0.00 N ATOM 523 CA GLN A 37 -2.845 -6.307 2.560 1.00 0.00 C ATOM 524 C GLN A 37 -2.197 -6.808 3.852 1.00 0.00 C ATOM 525 O GLN A 37 -2.715 -7.717 4.499 1.00 0.00 O ATOM 526 CB GLN A 37 -2.796 -7.380 1.470 1.00 0.00 C ATOM 527 CG GLN A 37 -3.987 -7.249 0.518 1.00 0.00 C ATOM 528 CD GLN A 37 -5.081 -8.260 0.866 1.00 0.00 C ATOM 529 OE1 GLN A 37 -5.168 -9.338 0.302 1.00 0.00 O ATOM 530 NE2 GLN A 37 -5.909 -7.853 1.825 1.00 0.00 N ATOM 0 H GLN A 37 -1.701 -5.162 1.228 1.00 0.00 H new ATOM 0 HA GLN A 37 -3.893 -6.089 2.763 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -1.866 -7.291 0.909 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -2.799 -8.369 1.928 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -4.391 -6.238 0.572 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -3.656 -7.405 -0.509 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -5.780 -6.938 2.256 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -6.673 -8.456 2.129 1.00 0.00 H new ATOM 539 N LEU A 38 -1.073 -6.193 4.190 1.00 0.00 N ATOM 540 CA LEU A 38 -0.348 -6.566 5.393 1.00 0.00 C ATOM 541 C LEU A 38 -0.565 -5.497 6.465 1.00 0.00 C ATOM 542 O LEU A 38 -1.118 -5.780 7.527 1.00 0.00 O ATOM 543 CB LEU A 38 1.125 -6.826 5.073 1.00 0.00 C ATOM 544 CG LEU A 38 1.427 -7.322 3.657 1.00 0.00 C ATOM 545 CD1 LEU A 38 2.861 -7.844 3.553 1.00 0.00 C ATOM 546 CD2 LEU A 38 0.402 -8.368 3.213 1.00 0.00 C ATOM 0 H LEU A 38 -0.647 -5.439 3.652 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.733 -7.504 5.794 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.681 -5.903 5.239 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.506 -7.560 5.783 1.00 0.00 H new ATOM 0 HG LEU A 38 1.342 -6.477 2.973 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.049 -8.190 2.537 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.558 -7.043 3.799 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.999 -8.671 4.249 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.639 -8.704 2.204 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.431 -9.218 3.895 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.595 -7.928 3.224 1.00 0.00 H new ATOM 558 N THR A 39 -0.119 -4.289 6.151 1.00 0.00 N ATOM 559 CA THR A 39 -0.257 -3.176 7.074 1.00 0.00 C ATOM 560 C THR A 39 -1.733 -2.814 7.255 1.00 0.00 C ATOM 561 O THR A 39 -2.163 -2.482 8.358 1.00 0.00 O ATOM 562 CB THR A 39 0.593 -2.018 6.549 1.00 0.00 C ATOM 563 OG1 THR A 39 0.171 -1.862 5.197 1.00 0.00 O ATOM 564 CG2 THR A 39 2.075 -2.383 6.437 1.00 0.00 C ATOM 0 H THR A 39 0.339 -4.057 5.269 1.00 0.00 H new ATOM 0 HA THR A 39 0.105 -3.439 8.068 1.00 0.00 H new ATOM 0 HB THR A 39 0.480 -1.157 7.208 1.00 0.00 H new ATOM 0 HG1 THR A 39 0.630 -2.519 4.633 1.00 0.00 H new ATOM 0 HG21 THR A 39 2.633 -1.526 6.060 1.00 0.00 H new ATOM 0 HG22 THR A 39 2.457 -2.661 7.420 1.00 0.00 H new ATOM 0 HG23 THR A 39 2.192 -3.223 5.752 1.00 0.00 H new ATOM 572 N ARG A 40 -2.467 -2.889 6.155 1.00 0.00 N ATOM 573 CA ARG A 40 -3.885 -2.573 6.178 1.00 0.00 C ATOM 574 C ARG A 40 -4.106 -1.164 6.732 1.00 0.00 C ATOM 575 O ARG A 40 -5.018 -0.942 7.526 1.00 0.00 O ATOM 576 CB ARG A 40 -4.659 -3.578 7.034 1.00 0.00 C ATOM 577 CG ARG A 40 -4.653 -4.966 6.391 1.00 0.00 C ATOM 578 CD ARG A 40 -3.885 -5.967 7.255 1.00 0.00 C ATOM 579 NE ARG A 40 -4.791 -7.048 7.705 1.00 0.00 N ATOM 580 CZ ARG A 40 -5.751 -6.888 8.626 1.00 0.00 C ATOM 581 NH1 ARG A 40 -5.936 -5.692 9.200 1.00 0.00 N ATOM 582 NH2 ARG A 40 -6.526 -7.925 8.972 1.00 0.00 N ATOM 0 H ARG A 40 -2.106 -3.164 5.241 1.00 0.00 H new ATOM 0 HA ARG A 40 -4.253 -2.626 5.154 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.215 -3.632 8.028 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.686 -3.237 7.162 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -5.678 -5.311 6.252 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -4.199 -4.910 5.402 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -3.056 -6.389 6.687 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.454 -5.459 8.118 1.00 0.00 H new ATOM 0 HE ARG A 40 -4.677 -7.972 7.288 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -5.346 -4.903 8.936 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -6.667 -5.570 9.901 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -6.385 -8.835 8.534 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -7.257 -7.804 9.673 1.00 0.00 H new ATOM 596 N SER A 41 -3.255 -0.249 6.290 1.00 0.00 N ATOM 597 CA SER A 41 -3.346 1.132 6.732 1.00 0.00 C ATOM 598 C SER A 41 -2.362 1.999 5.944 1.00 0.00 C ATOM 599 O SER A 41 -1.168 2.016 6.240 1.00 0.00 O ATOM 600 CB SER A 41 -3.072 1.249 8.233 1.00 0.00 C ATOM 601 OG SER A 41 -4.252 1.052 9.008 1.00 0.00 O ATOM 0 H SER A 41 -2.500 -0.437 5.631 1.00 0.00 H new ATOM 0 HA SER A 41 -4.361 1.485 6.547 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.321 0.514 8.523 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.656 2.233 8.450 1.00 0.00 H new ATOM 0 HG SER A 41 -4.630 0.170 8.810 1.00 0.00 H new ATOM 607 N VAL A 42 -2.900 2.698 4.955 1.00 0.00 N ATOM 608 CA VAL A 42 -2.084 3.565 4.122 1.00 0.00 C ATOM 609 C VAL A 42 -1.041 4.268 4.993 1.00 0.00 C ATOM 610 O VAL A 42 0.058 4.571 4.530 1.00 0.00 O ATOM 611 CB VAL A 42 -2.976 4.542 3.353 1.00 0.00 C ATOM 612 CG1 VAL A 42 -4.146 3.811 2.692 1.00 0.00 C ATOM 613 CG2 VAL A 42 -3.475 5.664 4.265 1.00 0.00 C ATOM 0 H VAL A 42 -3.891 2.682 4.712 1.00 0.00 H new ATOM 0 HA VAL A 42 -1.545 2.981 3.376 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.375 4.995 2.564 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.765 4.528 2.152 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -3.762 3.065 1.995 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.746 3.318 3.457 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -4.106 6.344 3.693 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.052 5.237 5.085 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.623 6.212 4.667 1.00 0.00 H new ATOM 623 N GLU A 43 -1.421 4.507 6.240 1.00 0.00 N ATOM 624 CA GLU A 43 -0.532 5.168 7.180 1.00 0.00 C ATOM 625 C GLU A 43 0.686 4.289 7.467 1.00 0.00 C ATOM 626 O GLU A 43 1.823 4.714 7.271 1.00 0.00 O ATOM 627 CB GLU A 43 -1.269 5.525 8.473 1.00 0.00 C ATOM 628 CG GLU A 43 -1.657 7.005 8.492 1.00 0.00 C ATOM 629 CD GLU A 43 -2.526 7.328 9.710 1.00 0.00 C ATOM 630 OE1 GLU A 43 -1.941 7.449 10.808 1.00 0.00 O ATOM 631 OE2 GLU A 43 -3.755 7.446 9.515 1.00 0.00 O ATOM 0 H GLU A 43 -2.333 4.254 6.621 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.185 6.098 6.730 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.164 4.910 8.568 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -0.635 5.300 9.331 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -0.757 7.620 8.509 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -2.197 7.255 7.579 1.00 0.00 H new ATOM 638 N ILE A 44 0.406 3.078 7.929 1.00 0.00 N ATOM 639 CA ILE A 44 1.465 2.135 8.245 1.00 0.00 C ATOM 640 C ILE A 44 2.193 1.741 6.959 1.00 0.00 C ATOM 641 O ILE A 44 3.302 1.212 7.006 1.00 0.00 O ATOM 642 CB ILE A 44 0.905 0.943 9.025 1.00 0.00 C ATOM 643 CG1 ILE A 44 0.378 1.382 10.392 1.00 0.00 C ATOM 644 CG2 ILE A 44 1.946 -0.172 9.143 1.00 0.00 C ATOM 645 CD1 ILE A 44 -1.003 0.781 10.665 1.00 0.00 C ATOM 0 H ILE A 44 -0.539 2.729 8.092 1.00 0.00 H new ATOM 0 HA ILE A 44 2.204 2.597 8.900 1.00 0.00 H new ATOM 0 HB ILE A 44 0.060 0.537 8.469 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.074 1.072 11.171 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.320 2.470 10.431 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.523 -1.007 9.701 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.232 -0.509 8.147 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.825 0.205 9.665 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.355 1.108 11.643 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.702 1.113 9.898 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.936 -0.307 10.649 1.00 0.00 H new ATOM 657 N THR A 45 1.539 2.015 5.839 1.00 0.00 N ATOM 658 CA THR A 45 2.110 1.696 4.542 1.00 0.00 C ATOM 659 C THR A 45 3.295 2.615 4.240 1.00 0.00 C ATOM 660 O THR A 45 4.385 2.144 3.918 1.00 0.00 O ATOM 661 CB THR A 45 0.994 1.782 3.500 1.00 0.00 C ATOM 662 OG1 THR A 45 -0.164 1.324 4.193 1.00 0.00 O ATOM 663 CG2 THR A 45 1.173 0.771 2.365 1.00 0.00 C ATOM 0 H THR A 45 0.619 2.454 5.804 1.00 0.00 H new ATOM 0 HA THR A 45 2.512 0.683 4.526 1.00 0.00 H new ATOM 0 HB THR A 45 0.961 2.790 3.086 1.00 0.00 H new ATOM 0 HG1 THR A 45 -0.014 0.409 4.511 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.354 0.874 1.653 1.00 0.00 H new ATOM 0 HG22 THR A 45 2.120 0.957 1.858 1.00 0.00 H new ATOM 0 HG23 THR A 45 1.173 -0.239 2.774 1.00 0.00 H new ATOM 671 N THR A 46 3.042 3.911 4.355 1.00 0.00 N ATOM 672 CA THR A 46 4.075 4.901 4.098 1.00 0.00 C ATOM 673 C THR A 46 5.173 4.812 5.159 1.00 0.00 C ATOM 674 O THR A 46 6.346 5.035 4.863 1.00 0.00 O ATOM 675 CB THR A 46 3.405 6.275 4.030 1.00 0.00 C ATOM 676 OG1 THR A 46 2.649 6.353 5.235 1.00 0.00 O ATOM 677 CG2 THR A 46 2.353 6.359 2.922 1.00 0.00 C ATOM 0 H THR A 46 2.137 4.298 4.623 1.00 0.00 H new ATOM 0 HA THR A 46 4.572 4.718 3.145 1.00 0.00 H new ATOM 0 HB THR A 46 4.163 7.041 3.869 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.183 7.214 5.273 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.908 7.354 2.917 1.00 0.00 H new ATOM 0 HG22 THR A 46 2.824 6.167 1.958 1.00 0.00 H new ATOM 0 HG23 THR A 46 1.576 5.615 3.101 1.00 0.00 H new ATOM 685 N ASP A 47 4.755 4.487 6.374 1.00 0.00 N ATOM 686 CA ASP A 47 5.689 4.367 7.480 1.00 0.00 C ATOM 687 C ASP A 47 6.883 3.515 7.044 1.00 0.00 C ATOM 688 O ASP A 47 7.972 3.635 7.602 1.00 0.00 O ATOM 689 CB ASP A 47 5.034 3.682 8.682 1.00 0.00 C ATOM 690 CG ASP A 47 4.716 4.607 9.858 1.00 0.00 C ATOM 691 OD1 ASP A 47 5.645 4.848 10.658 1.00 0.00 O ATOM 692 OD2 ASP A 47 3.550 5.052 9.931 1.00 0.00 O ATOM 0 H ASP A 47 3.781 4.303 6.616 1.00 0.00 H new ATOM 0 HA ASP A 47 6.005 5.371 7.764 1.00 0.00 H new ATOM 0 HB2 ASP A 47 4.110 3.208 8.352 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.693 2.887 9.032 1.00 0.00 H new ATOM 697 N ASN A 48 6.637 2.674 6.050 1.00 0.00 N ATOM 698 CA ASN A 48 7.679 1.803 5.532 1.00 0.00 C ATOM 699 C ASN A 48 8.536 2.580 4.530 1.00 0.00 C ATOM 700 O ASN A 48 9.755 2.417 4.494 1.00 0.00 O ATOM 701 CB ASN A 48 7.078 0.598 4.806 1.00 0.00 C ATOM 702 CG ASN A 48 5.859 0.058 5.556 1.00 0.00 C ATOM 703 OD1 ASN A 48 5.878 -0.148 6.758 1.00 0.00 O ATOM 704 ND2 ASN A 48 4.800 -0.159 4.781 1.00 0.00 N ATOM 0 H ASN A 48 5.732 2.577 5.590 1.00 0.00 H new ATOM 0 HA ASN A 48 8.278 1.455 6.374 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.790 0.885 3.795 1.00 0.00 H new ATOM 0 HB3 ASN A 48 7.829 -0.187 4.713 1.00 0.00 H new ATOM 0 HD21 ASN A 48 3.936 -0.519 5.187 1.00 0.00 H new ATOM 0 HD22 ASN A 48 4.852 0.035 3.781 1.00 0.00 H new ATOM 711 N ILE A 49 7.865 3.407 3.742 1.00 0.00 N ATOM 712 CA ILE A 49 8.550 4.209 2.743 1.00 0.00 C ATOM 713 C ILE A 49 9.228 5.398 3.426 1.00 0.00 C ATOM 714 O ILE A 49 10.419 5.634 3.232 1.00 0.00 O ATOM 715 CB ILE A 49 7.586 4.610 1.625 1.00 0.00 C ATOM 716 CG1 ILE A 49 6.862 3.386 1.059 1.00 0.00 C ATOM 717 CG2 ILE A 49 8.310 5.403 0.534 1.00 0.00 C ATOM 718 CD1 ILE A 49 5.353 3.627 0.985 1.00 0.00 C ATOM 0 H ILE A 49 6.854 3.539 3.775 1.00 0.00 H new ATOM 0 HA ILE A 49 9.336 3.627 2.262 1.00 0.00 H new ATOM 0 HB ILE A 49 6.826 5.266 2.049 1.00 0.00 H new ATOM 0 HG12 ILE A 49 7.247 3.159 0.065 1.00 0.00 H new ATOM 0 HG13 ILE A 49 7.065 2.517 1.685 1.00 0.00 H new ATOM 0 HG21 ILE A 49 7.602 5.676 -0.248 1.00 0.00 H new ATOM 0 HG22 ILE A 49 8.739 6.307 0.966 1.00 0.00 H new ATOM 0 HG23 ILE A 49 9.105 4.792 0.107 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.863 2.742 0.579 1.00 0.00 H new ATOM 0 HD12 ILE A 49 4.967 3.830 1.984 1.00 0.00 H new ATOM 0 HD13 ILE A 49 5.152 4.481 0.339 1.00 0.00 H new ATOM 730 N LEU A 50 8.439 6.116 4.213 1.00 0.00 N ATOM 731 CA LEU A 50 8.948 7.275 4.926 1.00 0.00 C ATOM 732 C LEU A 50 10.205 6.879 5.703 1.00 0.00 C ATOM 733 O LEU A 50 11.022 7.732 6.046 1.00 0.00 O ATOM 734 CB LEU A 50 7.853 7.889 5.801 1.00 0.00 C ATOM 735 CG LEU A 50 6.980 8.954 5.133 1.00 0.00 C ATOM 736 CD1 LEU A 50 5.498 8.589 5.232 1.00 0.00 C ATOM 737 CD2 LEU A 50 7.269 10.341 5.712 1.00 0.00 C ATOM 0 H LEU A 50 7.451 5.917 4.372 1.00 0.00 H new ATOM 0 HA LEU A 50 9.239 8.056 4.224 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.206 7.087 6.155 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.323 8.331 6.680 1.00 0.00 H new ATOM 0 HG LEU A 50 7.233 8.988 4.073 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.900 9.362 4.750 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.325 7.634 4.736 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.212 8.510 6.281 1.00 0.00 H new ATOM 0 HD21 LEU A 50 6.636 11.080 5.220 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.061 10.339 6.782 1.00 0.00 H new ATOM 0 HD23 LEU A 50 8.316 10.593 5.546 1.00 0.00 H new ATOM 749 N GLU A 51 10.321 5.584 5.958 1.00 0.00 N ATOM 750 CA GLU A 51 11.464 5.064 6.688 1.00 0.00 C ATOM 751 C GLU A 51 12.276 4.119 5.800 1.00 0.00 C ATOM 752 O GLU A 51 13.032 3.287 6.300 1.00 0.00 O ATOM 753 CB GLU A 51 11.021 4.363 7.974 1.00 0.00 C ATOM 754 CG GLU A 51 10.656 5.381 9.056 1.00 0.00 C ATOM 755 CD GLU A 51 11.449 5.125 10.340 1.00 0.00 C ATOM 756 OE1 GLU A 51 12.676 4.923 10.218 1.00 0.00 O ATOM 757 OE2 GLU A 51 10.809 5.138 11.414 1.00 0.00 O ATOM 0 H GLU A 51 9.642 4.879 5.672 1.00 0.00 H new ATOM 0 HA GLU A 51 12.101 5.902 6.971 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.163 3.724 7.767 1.00 0.00 H new ATOM 0 HB3 GLU A 51 11.821 3.716 8.334 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.858 6.389 8.695 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.588 5.326 9.267 1.00 0.00 H new ATOM 764 N GLY A 52 12.092 4.278 4.498 1.00 0.00 N ATOM 765 CA GLY A 52 12.798 3.450 3.535 1.00 0.00 C ATOM 766 C GLY A 52 12.913 2.008 4.033 1.00 0.00 C ATOM 767 O GLY A 52 13.936 1.621 4.597 1.00 0.00 O ATOM 0 H GLY A 52 11.464 4.968 4.087 1.00 0.00 H new ATOM 0 HA2 GLY A 52 12.273 3.468 2.580 1.00 0.00 H new ATOM 0 HA3 GLY A 52 13.793 3.858 3.359 1.00 0.00 H new ATOM 771 N ARG A 53 11.849 1.251 3.807 1.00 0.00 N ATOM 772 CA ARG A 53 11.818 -0.140 4.225 1.00 0.00 C ATOM 773 C ARG A 53 11.602 -1.053 3.017 1.00 0.00 C ATOM 774 O ARG A 53 12.311 -2.044 2.849 1.00 0.00 O ATOM 775 CB ARG A 53 10.703 -0.383 5.245 1.00 0.00 C ATOM 776 CG ARG A 53 11.199 -0.134 6.670 1.00 0.00 C ATOM 777 CD ARG A 53 10.059 -0.274 7.681 1.00 0.00 C ATOM 778 NE ARG A 53 10.550 -0.934 8.911 1.00 0.00 N ATOM 779 CZ ARG A 53 11.086 -2.161 8.942 1.00 0.00 C ATOM 780 NH1 ARG A 53 11.204 -2.870 7.811 1.00 0.00 N ATOM 781 NH2 ARG A 53 11.505 -2.680 10.104 1.00 0.00 N ATOM 0 H ARG A 53 11.002 1.575 3.340 1.00 0.00 H new ATOM 0 HA ARG A 53 12.777 -0.368 4.690 1.00 0.00 H new ATOM 0 HB2 ARG A 53 9.860 0.273 5.030 1.00 0.00 H new ATOM 0 HB3 ARG A 53 10.341 -1.407 5.156 1.00 0.00 H new ATOM 0 HG2 ARG A 53 11.992 -0.841 6.911 1.00 0.00 H new ATOM 0 HG3 ARG A 53 11.630 0.865 6.739 1.00 0.00 H new ATOM 0 HD2 ARG A 53 9.654 0.709 7.923 1.00 0.00 H new ATOM 0 HD3 ARG A 53 9.246 -0.856 7.246 1.00 0.00 H new ATOM 0 HE ARG A 53 10.476 -0.422 9.790 1.00 0.00 H new ATOM 0 HH11 ARG A 53 10.886 -2.475 6.926 1.00 0.00 H new ATOM 0 HH12 ARG A 53 11.612 -3.804 7.835 1.00 0.00 H new ATOM 0 HH21 ARG A 53 11.416 -2.141 10.965 1.00 0.00 H new ATOM 0 HH22 ARG A 53 11.913 -3.614 10.127 1.00 0.00 H new ATOM 795 N ILE A 54 10.621 -0.687 2.206 1.00 0.00 N ATOM 796 CA ILE A 54 10.303 -1.461 1.018 1.00 0.00 C ATOM 797 C ILE A 54 11.152 -0.961 -0.153 1.00 0.00 C ATOM 798 O ILE A 54 10.793 0.011 -0.815 1.00 0.00 O ATOM 799 CB ILE A 54 8.798 -1.429 0.744 1.00 0.00 C ATOM 800 CG1 ILE A 54 8.018 -2.068 1.894 1.00 0.00 C ATOM 801 CG2 ILE A 54 8.472 -2.079 -0.602 1.00 0.00 C ATOM 802 CD1 ILE A 54 6.742 -1.279 2.196 1.00 0.00 C ATOM 0 H ILE A 54 10.035 0.136 2.348 1.00 0.00 H new ATOM 0 HA ILE A 54 10.553 -2.511 1.169 1.00 0.00 H new ATOM 0 HB ILE A 54 8.484 -0.387 0.682 1.00 0.00 H new ATOM 0 HG12 ILE A 54 7.762 -3.096 1.638 1.00 0.00 H new ATOM 0 HG13 ILE A 54 8.645 -2.108 2.785 1.00 0.00 H new ATOM 0 HG21 ILE A 54 7.396 -2.043 -0.772 1.00 0.00 H new ATOM 0 HG22 ILE A 54 8.984 -1.540 -1.400 1.00 0.00 H new ATOM 0 HG23 ILE A 54 8.804 -3.117 -0.594 1.00 0.00 H new ATOM 0 HD11 ILE A 54 6.206 -1.754 3.017 1.00 0.00 H new ATOM 0 HD12 ILE A 54 7.003 -0.258 2.476 1.00 0.00 H new ATOM 0 HD13 ILE A 54 6.107 -1.262 1.310 1.00 0.00 H new ATOM 814 N GLN A 55 12.263 -1.649 -0.373 1.00 0.00 N ATOM 815 CA GLN A 55 13.166 -1.288 -1.452 1.00 0.00 C ATOM 816 C GLN A 55 13.417 -2.493 -2.360 1.00 0.00 C ATOM 817 O GLN A 55 13.973 -3.500 -1.922 1.00 0.00 O ATOM 818 CB GLN A 55 14.481 -0.731 -0.903 1.00 0.00 C ATOM 819 CG GLN A 55 14.336 0.744 -0.523 1.00 0.00 C ATOM 820 CD GLN A 55 15.547 1.225 0.278 1.00 0.00 C ATOM 821 OE1 GLN A 55 15.635 1.053 1.483 1.00 0.00 O ATOM 822 NE2 GLN A 55 16.473 1.836 -0.455 1.00 0.00 N ATOM 0 H GLN A 55 12.558 -2.455 0.178 1.00 0.00 H new ATOM 0 HA GLN A 55 12.697 -0.503 -2.045 1.00 0.00 H new ATOM 0 HB2 GLN A 55 14.787 -1.307 -0.030 1.00 0.00 H new ATOM 0 HB3 GLN A 55 15.267 -0.842 -1.650 1.00 0.00 H new ATOM 0 HG2 GLN A 55 14.229 1.347 -1.425 1.00 0.00 H new ATOM 0 HG3 GLN A 55 13.428 0.885 0.064 1.00 0.00 H new ATOM 0 HE21 GLN A 55 16.337 1.947 -1.460 1.00 0.00 H new ATOM 0 HE22 GLN A 55 17.320 2.194 -0.013 1.00 0.00 H new ATOM 831 N VAL A 56 12.996 -2.352 -3.608 1.00 0.00 N ATOM 832 CA VAL A 56 13.168 -3.416 -4.582 1.00 0.00 C ATOM 833 C VAL A 56 13.729 -2.830 -5.879 1.00 0.00 C ATOM 834 O VAL A 56 13.282 -1.777 -6.332 1.00 0.00 O ATOM 835 CB VAL A 56 11.846 -4.160 -4.784 1.00 0.00 C ATOM 836 CG1 VAL A 56 11.771 -4.774 -6.183 1.00 0.00 C ATOM 837 CG2 VAL A 56 11.647 -5.227 -3.706 1.00 0.00 C ATOM 0 H VAL A 56 12.536 -1.516 -3.967 1.00 0.00 H new ATOM 0 HA VAL A 56 13.887 -4.151 -4.221 1.00 0.00 H new ATOM 0 HB VAL A 56 11.037 -3.436 -4.692 1.00 0.00 H new ATOM 0 HG11 VAL A 56 10.822 -5.297 -6.300 1.00 0.00 H new ATOM 0 HG12 VAL A 56 11.846 -3.985 -6.931 1.00 0.00 H new ATOM 0 HG13 VAL A 56 12.592 -5.478 -6.316 1.00 0.00 H new ATOM 0 HG21 VAL A 56 10.700 -5.741 -3.873 1.00 0.00 H new ATOM 0 HG22 VAL A 56 12.464 -5.947 -3.752 1.00 0.00 H new ATOM 0 HG23 VAL A 56 11.635 -4.754 -2.724 1.00 0.00 H new ATOM 847 N PRO A 57 14.725 -3.555 -6.455 1.00 0.00 N ATOM 848 CA PRO A 57 15.351 -3.118 -7.691 1.00 0.00 C ATOM 849 C PRO A 57 14.431 -3.365 -8.888 1.00 0.00 C ATOM 850 O PRO A 57 14.554 -4.381 -9.570 1.00 0.00 O ATOM 851 CB PRO A 57 16.652 -3.899 -7.770 1.00 0.00 C ATOM 852 CG PRO A 57 16.490 -5.077 -6.824 1.00 0.00 C ATOM 853 CD PRO A 57 15.279 -4.807 -5.946 1.00 0.00 C ATOM 0 HA PRO A 57 15.544 -2.045 -7.709 1.00 0.00 H new ATOM 0 HB2 PRO A 57 16.842 -4.239 -8.788 1.00 0.00 H new ATOM 0 HB3 PRO A 57 17.499 -3.278 -7.478 1.00 0.00 H new ATOM 0 HG2 PRO A 57 16.356 -6.002 -7.385 1.00 0.00 H new ATOM 0 HG3 PRO A 57 17.384 -5.202 -6.213 1.00 0.00 H new ATOM 0 HD2 PRO A 57 14.553 -5.617 -6.012 1.00 0.00 H new ATOM 0 HD3 PRO A 57 15.562 -4.718 -4.897 1.00 0.00 H new ATOM 861 N PHE A 58 13.531 -2.418 -9.108 1.00 0.00 N ATOM 862 CA PHE A 58 12.591 -2.520 -10.211 1.00 0.00 C ATOM 863 C PHE A 58 11.979 -3.920 -10.282 1.00 0.00 C ATOM 864 O PHE A 58 10.856 -4.086 -10.755 1.00 0.00 O ATOM 865 CB PHE A 58 13.379 -2.255 -11.496 1.00 0.00 C ATOM 866 CG PHE A 58 13.464 -0.777 -11.881 1.00 0.00 C ATOM 867 CD1 PHE A 58 14.327 0.048 -11.229 1.00 0.00 C ATOM 868 CD2 PHE A 58 12.675 -0.287 -12.875 1.00 0.00 C ATOM 869 CE1 PHE A 58 14.405 1.420 -11.587 1.00 0.00 C ATOM 870 CE2 PHE A 58 12.753 1.085 -13.233 1.00 0.00 C ATOM 871 CZ PHE A 58 13.616 1.909 -12.581 1.00 0.00 C ATOM 0 H PHE A 58 13.433 -1.576 -8.541 1.00 0.00 H new ATOM 0 HA PHE A 58 11.780 -1.805 -10.076 1.00 0.00 H new ATOM 0 HB2 PHE A 58 14.389 -2.648 -11.378 1.00 0.00 H new ATOM 0 HB3 PHE A 58 12.916 -2.807 -12.314 1.00 0.00 H new ATOM 0 HD1 PHE A 58 14.953 -0.340 -10.439 1.00 0.00 H new ATOM 0 HD2 PHE A 58 11.989 -0.942 -13.392 1.00 0.00 H new ATOM 0 HE1 PHE A 58 15.091 2.075 -11.070 1.00 0.00 H new ATOM 0 HE2 PHE A 58 12.127 1.474 -14.023 1.00 0.00 H new ATOM 0 HZ PHE A 58 13.675 2.953 -12.853 1.00 0.00 H new TER 881 PHE A 58