USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 589 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 16 LYS NZ :NH3+ -111:sc= -1.13! (180deg=-1.76) USER MOD Set 1.2: A 47 ASN :FLIP amide:sc= -0.702 F(o=-15!,f=-1.8) USER MOD Single : A 1 ALA N :NH3+ -110:sc= 0.0818 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -162:sc= -0.0257 (180deg=-0.416) USER MOD Single : A 5 THR OG1 : rot -126:sc= -0.916 USER MOD Single : A 8 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.00427) USER MOD Single : A 10 SER OG : rot -33:sc= -0.358 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 107:sc= -2.51! USER MOD Single : A 32 SER OG : rot 180:sc= -0.672 USER MOD Single : A 33 LYS NZ :NH3+ -109:sc= 0.269 (180deg=-0.488) USER MOD Single : A 41 THR OG1 : rot 90:sc= 0.756 USER MOD Single : A 46 MET CE :methyl -150:sc= -0.218 (180deg=-1.43!) USER MOD Single : A 55 ASN :FLIP amide:sc= -1.72! C(o=-4.1!,f=-1.7!) USER MOD Single : A 60 LYS NZ :NH3+ -112:sc= 1.08 (180deg=-0.0514) USER MOD Single : A 62 GLN : amide:sc= -0.126 X(o=-0.13,f=-0.6) USER MOD Single : A 65 SER OG : rot 180:sc= -1.41 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.498 USER MOD Single : A 68 GLN :FLIP amide:sc= -2.8! C(o=-7.7!,f=-2.8!) USER MOD Single : A 69 GLN : amide:sc= -0.131 X(o=-0.13,f=-0.4) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -9.960 -7.811 1.591 1.00 1.00 N ATOM 2 CA ALA A 1 -9.384 -7.736 0.219 1.00 1.00 C ATOM 3 C ALA A 1 -8.989 -9.138 -0.238 1.00 1.00 C ATOM 4 O ALA A 1 -8.697 -10.009 0.581 1.00 1.00 O ATOM 5 CB ALA A 1 -8.159 -6.815 0.232 1.00 1.00 C ATOM 0 H1 ALA A 1 -10.981 -7.616 1.550 1.00 1.00 H new ATOM 0 H2 ALA A 1 -9.805 -8.762 1.981 1.00 1.00 H new ATOM 0 H3 ALA A 1 -9.497 -7.107 2.201 1.00 1.00 H new ATOM 0 HA ALA A 1 -10.122 -7.332 -0.474 1.00 1.00 H new ATOM 0 HB1 ALA A 1 -7.736 -6.758 -0.771 1.00 1.00 H new ATOM 0 HB2 ALA A 1 -8.457 -5.818 0.557 1.00 1.00 H new ATOM 0 HB3 ALA A 1 -7.412 -7.213 0.919 1.00 1.00 H new ATOM 13 N LYS A 2 -8.982 -9.344 -1.552 1.00 1.00 N ATOM 14 CA LYS A 2 -8.621 -10.638 -2.115 1.00 1.00 C ATOM 15 C LYS A 2 -7.103 -10.760 -2.194 1.00 1.00 C ATOM 16 O LYS A 2 -6.394 -9.757 -2.239 1.00 1.00 O ATOM 17 CB LYS A 2 -9.228 -10.791 -3.527 1.00 1.00 C ATOM 18 CG LYS A 2 -9.295 -9.417 -4.229 1.00 1.00 C ATOM 19 CD LYS A 2 -10.657 -8.753 -3.974 1.00 1.00 C ATOM 20 CE LYS A 2 -10.673 -7.355 -4.596 1.00 1.00 C ATOM 21 NZ LYS A 2 -12.010 -6.737 -4.374 1.00 1.00 N ATOM 0 H LYS A 2 -9.222 -8.633 -2.243 1.00 1.00 H new ATOM 0 HA LYS A 2 -9.015 -11.425 -1.472 1.00 1.00 H new ATOM 0 HB2 LYS A 2 -8.625 -11.481 -4.118 1.00 1.00 H new ATOM 0 HB3 LYS A 2 -10.227 -11.221 -3.457 1.00 1.00 H new ATOM 0 HG2 LYS A 2 -8.495 -8.774 -3.862 1.00 1.00 H new ATOM 0 HG3 LYS A 2 -9.138 -9.541 -5.301 1.00 1.00 H new ATOM 0 HD2 LYS A 2 -11.455 -9.361 -4.401 1.00 1.00 H new ATOM 0 HD3 LYS A 2 -10.846 -8.687 -2.902 1.00 1.00 H new ATOM 0 HE2 LYS A 2 -9.894 -6.736 -4.150 1.00 1.00 H new ATOM 0 HE3 LYS A 2 -10.460 -7.416 -5.663 1.00 1.00 H new ATOM 0 HZ1 LYS A 2 -12.027 -5.786 -4.795 1.00 1.00 H new ATOM 0 HZ2 LYS A 2 -12.743 -7.326 -4.819 1.00 1.00 H new ATOM 0 HZ3 LYS A 2 -12.195 -6.667 -3.353 1.00 1.00 H new ATOM 35 N LYS A 3 -6.619 -11.992 -2.225 1.00 1.00 N ATOM 36 CA LYS A 3 -5.189 -12.238 -2.308 1.00 1.00 C ATOM 37 C LYS A 3 -4.611 -11.605 -3.568 1.00 1.00 C ATOM 38 O LYS A 3 -3.411 -11.344 -3.650 1.00 1.00 O ATOM 39 CB LYS A 3 -4.925 -13.750 -2.332 1.00 1.00 C ATOM 40 CG LYS A 3 -5.864 -14.446 -3.357 1.00 1.00 C ATOM 41 CD LYS A 3 -6.983 -15.209 -2.632 1.00 1.00 C ATOM 42 CE LYS A 3 -7.844 -15.945 -3.663 1.00 1.00 C ATOM 43 NZ LYS A 3 -8.535 -14.949 -4.529 1.00 1.00 N ATOM 0 H LYS A 3 -7.194 -12.834 -2.194 1.00 1.00 H new ATOM 0 HA LYS A 3 -4.709 -11.794 -1.436 1.00 1.00 H new ATOM 0 HB2 LYS A 3 -3.884 -13.940 -2.595 1.00 1.00 H new ATOM 0 HB3 LYS A 3 -5.085 -14.170 -1.339 1.00 1.00 H new ATOM 0 HG2 LYS A 3 -6.297 -13.702 -4.025 1.00 1.00 H new ATOM 0 HG3 LYS A 3 -5.289 -15.134 -3.976 1.00 1.00 H new ATOM 0 HD2 LYS A 3 -6.555 -15.920 -1.925 1.00 1.00 H new ATOM 0 HD3 LYS A 3 -7.597 -14.517 -2.056 1.00 1.00 H new ATOM 0 HE2 LYS A 3 -7.222 -16.602 -4.270 1.00 1.00 H new ATOM 0 HE3 LYS A 3 -8.576 -16.575 -3.159 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 -9.334 -15.405 -5.014 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 -8.887 -14.165 -3.943 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 -7.867 -14.580 -5.235 1.00 1.00 H new ATOM 57 N GLU A 4 -5.471 -11.359 -4.550 1.00 1.00 N ATOM 58 CA GLU A 4 -5.025 -10.758 -5.799 1.00 1.00 C ATOM 59 C GLU A 4 -4.653 -9.296 -5.584 1.00 1.00 C ATOM 60 O GLU A 4 -3.623 -8.832 -6.067 1.00 1.00 O ATOM 61 CB GLU A 4 -6.127 -10.862 -6.855 1.00 1.00 C ATOM 62 CG GLU A 4 -6.330 -12.330 -7.236 1.00 1.00 C ATOM 63 CD GLU A 4 -7.494 -12.459 -8.212 1.00 1.00 C ATOM 64 OE1 GLU A 4 -8.056 -11.437 -8.572 1.00 1.00 O ATOM 65 OE2 GLU A 4 -7.809 -13.577 -8.584 1.00 1.00 O ATOM 0 H GLU A 4 -6.469 -11.564 -4.506 1.00 1.00 H new ATOM 0 HA GLU A 4 -4.144 -11.297 -6.147 1.00 1.00 H new ATOM 0 HB2 GLU A 4 -7.056 -10.443 -6.469 1.00 1.00 H new ATOM 0 HB3 GLU A 4 -5.857 -10.280 -7.736 1.00 1.00 H new ATOM 0 HG2 GLU A 4 -5.420 -12.726 -7.687 1.00 1.00 H new ATOM 0 HG3 GLU A 4 -6.527 -12.922 -6.342 1.00 1.00 H new ATOM 72 N THR A 5 -5.503 -8.579 -4.852 1.00 1.00 N ATOM 73 CA THR A 5 -5.267 -7.166 -4.572 1.00 1.00 C ATOM 74 C THR A 5 -3.995 -6.983 -3.752 1.00 1.00 C ATOM 75 O THR A 5 -3.185 -6.103 -4.035 1.00 1.00 O ATOM 76 CB THR A 5 -6.456 -6.575 -3.815 1.00 1.00 C ATOM 77 OG1 THR A 5 -7.623 -6.695 -4.613 1.00 1.00 O ATOM 78 CG2 THR A 5 -6.195 -5.096 -3.519 1.00 1.00 C ATOM 0 H THR A 5 -6.359 -8.953 -4.443 1.00 1.00 H new ATOM 0 HA THR A 5 -5.148 -6.645 -5.522 1.00 1.00 H new ATOM 0 HB THR A 5 -6.593 -7.112 -2.877 1.00 1.00 H new ATOM 0 HG1 THR A 5 -8.046 -5.816 -4.708 1.00 1.00 H new ATOM 0 HG21 THR A 5 -7.045 -4.678 -2.979 1.00 1.00 H new ATOM 0 HG22 THR A 5 -5.296 -5.000 -2.911 1.00 1.00 H new ATOM 0 HG23 THR A 5 -6.059 -4.556 -4.456 1.00 1.00 H new ATOM 86 N ILE A 6 -3.828 -7.821 -2.734 1.00 1.00 N ATOM 87 CA ILE A 6 -2.654 -7.742 -1.871 1.00 1.00 C ATOM 88 C ILE A 6 -1.379 -7.863 -2.695 1.00 1.00 C ATOM 89 O ILE A 6 -0.384 -7.196 -2.417 1.00 1.00 O ATOM 90 CB ILE A 6 -2.691 -8.860 -0.822 1.00 1.00 C ATOM 91 CG1 ILE A 6 -4.018 -8.799 -0.062 1.00 1.00 C ATOM 92 CG2 ILE A 6 -1.534 -8.690 0.167 1.00 1.00 C ATOM 93 CD1 ILE A 6 -4.113 -9.978 0.913 1.00 1.00 C ATOM 0 H ILE A 6 -4.487 -8.559 -2.487 1.00 1.00 H new ATOM 0 HA ILE A 6 -2.664 -6.775 -1.368 1.00 1.00 H new ATOM 0 HB ILE A 6 -2.595 -9.823 -1.324 1.00 1.00 H new ATOM 0 HG12 ILE A 6 -4.093 -7.858 0.483 1.00 1.00 H new ATOM 0 HG13 ILE A 6 -4.851 -8.828 -0.764 1.00 1.00 H new ATOM 0 HG21 ILE A 6 -1.569 -9.489 0.908 1.00 1.00 H new ATOM 0 HG22 ILE A 6 -0.587 -8.734 -0.370 1.00 1.00 H new ATOM 0 HG23 ILE A 6 -1.622 -7.726 0.668 1.00 1.00 H new ATOM 0 HD11 ILE A 6 -5.060 -9.930 1.451 1.00 1.00 H new ATOM 0 HD12 ILE A 6 -4.059 -10.914 0.358 1.00 1.00 H new ATOM 0 HD13 ILE A 6 -3.288 -9.929 1.624 1.00 1.00 H new ATOM 105 N ASP A 7 -1.414 -8.723 -3.703 1.00 1.00 N ATOM 106 CA ASP A 7 -0.251 -8.928 -4.551 1.00 1.00 C ATOM 107 C ASP A 7 0.117 -7.642 -5.279 1.00 1.00 C ATOM 108 O ASP A 7 1.293 -7.319 -5.426 1.00 1.00 O ATOM 109 CB ASP A 7 -0.539 -10.028 -5.574 1.00 1.00 C ATOM 110 CG ASP A 7 -0.583 -11.384 -4.881 1.00 1.00 C ATOM 111 OD1 ASP A 7 -0.234 -11.443 -3.713 1.00 1.00 O ATOM 112 OD2 ASP A 7 -0.966 -12.346 -5.526 1.00 1.00 O ATOM 0 H ASP A 7 -2.228 -9.285 -3.951 1.00 1.00 H new ATOM 0 HA ASP A 7 0.586 -9.226 -3.919 1.00 1.00 H new ATOM 0 HB2 ASP A 7 -1.489 -9.834 -6.072 1.00 1.00 H new ATOM 0 HB3 ASP A 7 0.231 -10.029 -6.346 1.00 1.00 H new ATOM 117 N LYS A 8 -0.894 -6.922 -5.746 1.00 1.00 N ATOM 118 CA LYS A 8 -0.652 -5.683 -6.475 1.00 1.00 C ATOM 119 C LYS A 8 0.065 -4.664 -5.598 1.00 1.00 C ATOM 120 O LYS A 8 1.077 -4.090 -5.999 1.00 1.00 O ATOM 121 CB LYS A 8 -1.986 -5.093 -6.931 1.00 1.00 C ATOM 122 CG LYS A 8 -2.794 -6.152 -7.706 1.00 1.00 C ATOM 123 CD LYS A 8 -3.721 -5.472 -8.734 1.00 1.00 C ATOM 124 CE LYS A 8 -2.954 -5.189 -10.031 1.00 1.00 C ATOM 125 NZ LYS A 8 -2.909 -6.431 -10.853 1.00 1.00 N ATOM 0 H LYS A 8 -1.877 -7.169 -5.636 1.00 1.00 H new ATOM 0 HA LYS A 8 -0.023 -5.910 -7.336 1.00 1.00 H new ATOM 0 HB2 LYS A 8 -2.555 -4.750 -6.067 1.00 1.00 H new ATOM 0 HB3 LYS A 8 -1.811 -4.223 -7.564 1.00 1.00 H new ATOM 0 HG2 LYS A 8 -2.115 -6.836 -8.215 1.00 1.00 H new ATOM 0 HG3 LYS A 8 -3.386 -6.748 -7.011 1.00 1.00 H new ATOM 0 HD2 LYS A 8 -4.578 -6.113 -8.942 1.00 1.00 H new ATOM 0 HD3 LYS A 8 -4.111 -4.541 -8.323 1.00 1.00 H new ATOM 0 HE2 LYS A 8 -3.440 -4.387 -10.588 1.00 1.00 H new ATOM 0 HE3 LYS A 8 -1.943 -4.852 -9.804 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 -2.156 -6.349 -11.565 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 -2.717 -7.247 -10.238 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 -3.823 -6.565 -11.330 1.00 1.00 H new ATOM 139 N VAL A 9 -0.463 -4.443 -4.400 1.00 1.00 N ATOM 140 CA VAL A 9 0.140 -3.491 -3.485 1.00 1.00 C ATOM 141 C VAL A 9 1.521 -3.972 -3.049 1.00 1.00 C ATOM 142 O VAL A 9 2.481 -3.208 -3.048 1.00 1.00 O ATOM 143 CB VAL A 9 -0.752 -3.311 -2.250 1.00 1.00 C ATOM 144 CG1 VAL A 9 -0.303 -2.081 -1.447 1.00 1.00 C ATOM 145 CG2 VAL A 9 -2.208 -3.132 -2.690 1.00 1.00 C ATOM 0 H VAL A 9 -1.299 -4.907 -4.045 1.00 1.00 H new ATOM 0 HA VAL A 9 0.243 -2.536 -4.000 1.00 1.00 H new ATOM 0 HB VAL A 9 -0.667 -4.196 -1.620 1.00 1.00 H new ATOM 0 HG11 VAL A 9 -0.944 -1.963 -0.573 1.00 1.00 H new ATOM 0 HG12 VAL A 9 0.730 -2.214 -1.125 1.00 1.00 H new ATOM 0 HG13 VAL A 9 -0.376 -1.191 -2.073 1.00 1.00 H new ATOM 0 HG21 VAL A 9 -2.840 -3.004 -1.812 1.00 1.00 H new ATOM 0 HG22 VAL A 9 -2.290 -2.251 -3.327 1.00 1.00 H new ATOM 0 HG23 VAL A 9 -2.531 -4.013 -3.245 1.00 1.00 H new ATOM 155 N SER A 10 1.615 -5.244 -2.683 1.00 1.00 N ATOM 156 CA SER A 10 2.886 -5.808 -2.244 1.00 1.00 C ATOM 157 C SER A 10 3.937 -5.682 -3.341 1.00 1.00 C ATOM 158 O SER A 10 5.094 -5.367 -3.068 1.00 1.00 O ATOM 159 CB SER A 10 2.705 -7.281 -1.879 1.00 1.00 C ATOM 160 OG SER A 10 2.387 -8.015 -3.053 1.00 1.00 O ATOM 0 H SER A 10 0.834 -5.900 -2.681 1.00 1.00 H new ATOM 0 HA SER A 10 3.223 -5.254 -1.368 1.00 1.00 H new ATOM 0 HB2 SER A 10 3.617 -7.671 -1.427 1.00 1.00 H new ATOM 0 HB3 SER A 10 1.911 -7.391 -1.140 1.00 1.00 H new ATOM 0 HG SER A 10 1.867 -7.450 -3.661 1.00 1.00 H new ATOM 166 N ASP A 11 3.526 -5.930 -4.579 1.00 1.00 N ATOM 167 CA ASP A 11 4.445 -5.840 -5.708 1.00 1.00 C ATOM 168 C ASP A 11 4.991 -4.425 -5.839 1.00 1.00 C ATOM 169 O ASP A 11 6.185 -4.225 -6.018 1.00 1.00 O ATOM 170 CB ASP A 11 3.720 -6.225 -6.992 1.00 1.00 C ATOM 171 CG ASP A 11 4.728 -6.450 -8.115 1.00 1.00 C ATOM 172 OD1 ASP A 11 5.532 -7.359 -7.989 1.00 1.00 O ATOM 173 OD2 ASP A 11 4.680 -5.710 -9.084 1.00 1.00 O ATOM 0 H ASP A 11 2.572 -6.193 -4.826 1.00 1.00 H new ATOM 0 HA ASP A 11 5.276 -6.524 -5.536 1.00 1.00 H new ATOM 0 HB2 ASP A 11 3.135 -7.130 -6.831 1.00 1.00 H new ATOM 0 HB3 ASP A 11 3.020 -5.439 -7.273 1.00 1.00 H new ATOM 178 N ILE A 12 4.111 -3.445 -5.757 1.00 1.00 N ATOM 179 CA ILE A 12 4.534 -2.061 -5.863 1.00 1.00 C ATOM 180 C ILE A 12 5.370 -1.665 -4.648 1.00 1.00 C ATOM 181 O ILE A 12 6.381 -0.981 -4.775 1.00 1.00 O ATOM 182 CB ILE A 12 3.304 -1.163 -5.957 1.00 1.00 C ATOM 183 CG1 ILE A 12 2.569 -1.460 -7.273 1.00 1.00 C ATOM 184 CG2 ILE A 12 3.742 0.307 -5.935 1.00 1.00 C ATOM 185 CD1 ILE A 12 1.134 -0.950 -7.180 1.00 1.00 C ATOM 0 H ILE A 12 3.109 -3.579 -5.619 1.00 1.00 H new ATOM 0 HA ILE A 12 5.144 -1.943 -6.758 1.00 1.00 H new ATOM 0 HB ILE A 12 2.641 -1.354 -5.113 1.00 1.00 H new ATOM 0 HG12 ILE A 12 3.084 -0.980 -8.106 1.00 1.00 H new ATOM 0 HG13 ILE A 12 2.573 -2.532 -7.471 1.00 1.00 H new ATOM 0 HG21 ILE A 12 2.864 0.949 -6.002 1.00 1.00 H new ATOM 0 HG22 ILE A 12 4.273 0.515 -5.006 1.00 1.00 H new ATOM 0 HG23 ILE A 12 4.401 0.503 -6.781 1.00 1.00 H new ATOM 0 HD11 ILE A 12 0.612 -1.160 -8.113 1.00 1.00 H new ATOM 0 HD12 ILE A 12 0.623 -1.450 -6.358 1.00 1.00 H new ATOM 0 HD13 ILE A 12 1.141 0.125 -7.003 1.00 1.00 H new ATOM 197 N VAL A 13 4.920 -2.081 -3.464 1.00 1.00 N ATOM 198 CA VAL A 13 5.624 -1.729 -2.229 1.00 1.00 C ATOM 199 C VAL A 13 7.014 -2.351 -2.174 1.00 1.00 C ATOM 200 O VAL A 13 8.000 -1.660 -1.930 1.00 1.00 O ATOM 201 CB VAL A 13 4.813 -2.205 -1.018 1.00 1.00 C ATOM 202 CG1 VAL A 13 5.617 -1.986 0.271 1.00 1.00 C ATOM 203 CG2 VAL A 13 3.499 -1.423 -0.942 1.00 1.00 C ATOM 0 H VAL A 13 4.085 -2.653 -3.333 1.00 1.00 H new ATOM 0 HA VAL A 13 5.734 -0.645 -2.209 1.00 1.00 H new ATOM 0 HB VAL A 13 4.599 -3.268 -1.128 1.00 1.00 H new ATOM 0 HG11 VAL A 13 5.033 -2.327 1.126 1.00 1.00 H new ATOM 0 HG12 VAL A 13 6.548 -2.550 0.219 1.00 1.00 H new ATOM 0 HG13 VAL A 13 5.841 -0.925 0.384 1.00 1.00 H new ATOM 0 HG21 VAL A 13 2.923 -1.762 -0.081 1.00 1.00 H new ATOM 0 HG22 VAL A 13 3.714 -0.359 -0.839 1.00 1.00 H new ATOM 0 HG23 VAL A 13 2.923 -1.590 -1.852 1.00 1.00 H new ATOM 213 N LYS A 14 7.088 -3.654 -2.393 1.00 1.00 N ATOM 214 CA LYS A 14 8.365 -4.348 -2.347 1.00 1.00 C ATOM 215 C LYS A 14 9.297 -3.815 -3.430 1.00 1.00 C ATOM 216 O LYS A 14 10.506 -3.698 -3.224 1.00 1.00 O ATOM 217 CB LYS A 14 8.134 -5.854 -2.527 1.00 1.00 C ATOM 218 CG LYS A 14 7.807 -6.159 -3.989 1.00 1.00 C ATOM 219 CD LYS A 14 7.253 -7.579 -4.111 1.00 1.00 C ATOM 220 CE LYS A 14 8.200 -8.567 -3.428 1.00 1.00 C ATOM 221 NZ LYS A 14 7.925 -9.941 -3.932 1.00 1.00 N ATOM 0 H LYS A 14 6.286 -4.248 -2.603 1.00 1.00 H new ATOM 0 HA LYS A 14 8.835 -4.174 -1.379 1.00 1.00 H new ATOM 0 HB2 LYS A 14 9.023 -6.406 -2.221 1.00 1.00 H new ATOM 0 HB3 LYS A 14 7.317 -6.185 -1.886 1.00 1.00 H new ATOM 0 HG2 LYS A 14 7.078 -5.441 -4.366 1.00 1.00 H new ATOM 0 HG3 LYS A 14 8.703 -6.055 -4.601 1.00 1.00 H new ATOM 0 HD2 LYS A 14 6.265 -7.634 -3.654 1.00 1.00 H new ATOM 0 HD3 LYS A 14 7.134 -7.843 -5.162 1.00 1.00 H new ATOM 0 HE2 LYS A 14 9.236 -8.294 -3.629 1.00 1.00 H new ATOM 0 HE3 LYS A 14 8.065 -8.530 -2.347 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 8.567 -10.615 -3.469 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 6.940 -10.199 -3.718 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 8.075 -9.970 -4.961 1.00 1.00 H new ATOM 235 N GLU A 15 8.723 -3.492 -4.582 1.00 1.00 N ATOM 236 CA GLU A 15 9.506 -2.969 -5.692 1.00 1.00 C ATOM 237 C GLU A 15 10.003 -1.558 -5.398 1.00 1.00 C ATOM 238 O GLU A 15 11.127 -1.195 -5.745 1.00 1.00 O ATOM 239 CB GLU A 15 8.664 -2.971 -6.971 1.00 1.00 C ATOM 240 CG GLU A 15 8.554 -4.404 -7.508 1.00 1.00 C ATOM 241 CD GLU A 15 7.563 -4.460 -8.665 1.00 1.00 C ATOM 242 OE1 GLU A 15 7.071 -3.411 -9.048 1.00 1.00 O ATOM 243 OE2 GLU A 15 7.309 -5.550 -9.149 1.00 1.00 O ATOM 0 H GLU A 15 7.725 -3.582 -4.771 1.00 1.00 H new ATOM 0 HA GLU A 15 10.375 -3.613 -5.829 1.00 1.00 H new ATOM 0 HB2 GLU A 15 7.671 -2.571 -6.766 1.00 1.00 H new ATOM 0 HB3 GLU A 15 9.120 -2.324 -7.721 1.00 1.00 H new ATOM 0 HG2 GLU A 15 9.532 -4.751 -7.841 1.00 1.00 H new ATOM 0 HG3 GLU A 15 8.232 -5.075 -6.711 1.00 1.00 H new ATOM 250 N LYS A 16 9.155 -0.766 -4.767 1.00 1.00 N ATOM 251 CA LYS A 16 9.503 0.607 -4.429 1.00 1.00 C ATOM 252 C LYS A 16 10.573 0.661 -3.345 1.00 1.00 C ATOM 253 O LYS A 16 11.428 1.547 -3.347 1.00 1.00 O ATOM 254 CB LYS A 16 8.250 1.347 -3.955 1.00 1.00 C ATOM 255 CG LYS A 16 7.309 1.604 -5.151 1.00 1.00 C ATOM 256 CD LYS A 16 7.668 2.931 -5.846 1.00 1.00 C ATOM 257 CE LYS A 16 6.990 4.097 -5.123 1.00 1.00 C ATOM 258 NZ LYS A 16 7.297 5.369 -5.841 1.00 1.00 N ATOM 0 H LYS A 16 8.219 -1.048 -4.477 1.00 1.00 H new ATOM 0 HA LYS A 16 9.905 1.087 -5.321 1.00 1.00 H new ATOM 0 HB2 LYS A 16 7.735 0.759 -3.195 1.00 1.00 H new ATOM 0 HB3 LYS A 16 8.529 2.293 -3.491 1.00 1.00 H new ATOM 0 HG2 LYS A 16 7.384 0.782 -5.863 1.00 1.00 H new ATOM 0 HG3 LYS A 16 6.275 1.635 -4.807 1.00 1.00 H new ATOM 0 HD2 LYS A 16 8.749 3.071 -5.846 1.00 1.00 H new ATOM 0 HD3 LYS A 16 7.350 2.904 -6.888 1.00 1.00 H new ATOM 0 HE2 LYS A 16 5.912 3.939 -5.085 1.00 1.00 H new ATOM 0 HE3 LYS A 16 7.341 4.154 -4.092 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 7.924 5.956 -5.255 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 7.768 5.154 -6.743 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 6.413 5.885 -6.026 1.00 1.00 H new ATOM 272 N LEU A 17 10.499 -0.271 -2.402 1.00 1.00 N ATOM 273 CA LEU A 17 11.449 -0.301 -1.291 1.00 1.00 C ATOM 274 C LEU A 17 12.685 -1.117 -1.646 1.00 1.00 C ATOM 275 O LEU A 17 13.671 -1.107 -0.910 1.00 1.00 O ATOM 276 CB LEU A 17 10.765 -0.902 -0.060 1.00 1.00 C ATOM 277 CG LEU A 17 9.528 -0.070 0.310 1.00 1.00 C ATOM 278 CD1 LEU A 17 8.793 -0.748 1.470 1.00 1.00 C ATOM 279 CD2 LEU A 17 9.940 1.354 0.721 1.00 1.00 C ATOM 0 H LEU A 17 9.798 -1.011 -2.382 1.00 1.00 H new ATOM 0 HA LEU A 17 11.769 0.719 -1.079 1.00 1.00 H new ATOM 0 HB2 LEU A 17 10.473 -1.933 -0.262 1.00 1.00 H new ATOM 0 HB3 LEU A 17 11.461 -0.926 0.778 1.00 1.00 H new ATOM 0 HG LEU A 17 8.871 -0.005 -0.558 1.00 1.00 H new ATOM 0 HD11 LEU A 17 7.914 -0.161 1.736 1.00 1.00 H new ATOM 0 HD12 LEU A 17 8.484 -1.749 1.169 1.00 1.00 H new ATOM 0 HD13 LEU A 17 9.458 -0.817 2.331 1.00 1.00 H new ATOM 0 HD21 LEU A 17 9.051 1.929 0.980 1.00 1.00 H new ATOM 0 HD22 LEU A 17 10.605 1.306 1.583 1.00 1.00 H new ATOM 0 HD23 LEU A 17 10.456 1.837 -0.109 1.00 1.00 H new ATOM 291 N ALA A 18 12.631 -1.819 -2.772 1.00 1.00 N ATOM 292 CA ALA A 18 13.761 -2.633 -3.202 1.00 1.00 C ATOM 293 C ALA A 18 13.441 -3.331 -4.517 1.00 1.00 C ATOM 294 O ALA A 18 12.435 -3.042 -5.147 1.00 1.00 O ATOM 295 CB ALA A 18 14.088 -3.679 -2.133 1.00 1.00 C ATOM 0 H ALA A 18 11.826 -1.841 -3.398 1.00 1.00 H new ATOM 0 HA ALA A 18 14.623 -1.982 -3.347 1.00 1.00 H new ATOM 0 HB1 ALA A 18 14.933 -4.283 -2.462 1.00 1.00 H new ATOM 0 HB2 ALA A 18 14.342 -3.178 -1.199 1.00 1.00 H new ATOM 0 HB3 ALA A 18 13.222 -4.322 -1.976 1.00 1.00 H new ATOM 301 N LEU A 19 14.305 -4.251 -4.924 1.00 1.00 N ATOM 302 CA LEU A 19 14.091 -4.985 -6.165 1.00 1.00 C ATOM 303 C LEU A 19 12.986 -6.023 -5.989 1.00 1.00 C ATOM 304 O LEU A 19 12.350 -6.439 -6.958 1.00 1.00 O ATOM 305 CB LEU A 19 15.388 -5.679 -6.581 1.00 1.00 C ATOM 306 CG LEU A 19 16.523 -4.651 -6.641 1.00 1.00 C ATOM 307 CD1 LEU A 19 17.829 -5.361 -7.010 1.00 1.00 C ATOM 308 CD2 LEU A 19 16.202 -3.572 -7.692 1.00 1.00 C ATOM 0 H LEU A 19 15.154 -4.506 -4.419 1.00 1.00 H new ATOM 0 HA LEU A 19 13.788 -4.281 -6.940 1.00 1.00 H new ATOM 0 HB2 LEU A 19 15.635 -6.468 -5.870 1.00 1.00 H new ATOM 0 HB3 LEU A 19 15.262 -6.155 -7.554 1.00 1.00 H new ATOM 0 HG LEU A 19 16.629 -4.173 -5.667 1.00 1.00 H new ATOM 0 HD11 LEU A 19 18.639 -4.633 -7.054 1.00 1.00 H new ATOM 0 HD12 LEU A 19 18.059 -6.115 -6.257 1.00 1.00 H new ATOM 0 HD13 LEU A 19 17.720 -5.841 -7.982 1.00 1.00 H new ATOM 0 HD21 LEU A 19 17.014 -2.846 -7.728 1.00 1.00 H new ATOM 0 HD22 LEU A 19 16.090 -4.039 -8.670 1.00 1.00 H new ATOM 0 HD23 LEU A 19 15.275 -3.066 -7.423 1.00 1.00 H new ATOM 320 N GLY A 20 12.765 -6.438 -4.742 1.00 1.00 N ATOM 321 CA GLY A 20 11.736 -7.430 -4.440 1.00 1.00 C ATOM 322 C GLY A 20 12.301 -8.843 -4.534 1.00 1.00 C ATOM 323 O GLY A 20 11.707 -9.795 -4.027 1.00 1.00 O ATOM 0 H GLY A 20 13.282 -6.104 -3.929 1.00 1.00 H new ATOM 0 HA2 GLY A 20 11.341 -7.257 -3.439 1.00 1.00 H new ATOM 0 HA3 GLY A 20 10.903 -7.320 -5.135 1.00 1.00 H new ATOM 327 N ALA A 21 13.451 -8.973 -5.187 1.00 1.00 N ATOM 328 CA ALA A 21 14.086 -10.278 -5.341 1.00 1.00 C ATOM 329 C ALA A 21 14.657 -10.762 -4.011 1.00 1.00 C ATOM 330 O ALA A 21 14.454 -11.910 -3.618 1.00 1.00 O ATOM 331 CB ALA A 21 15.206 -10.198 -6.380 1.00 1.00 C ATOM 0 H ALA A 21 13.959 -8.199 -5.615 1.00 1.00 H new ATOM 0 HA ALA A 21 13.330 -10.987 -5.677 1.00 1.00 H new ATOM 0 HB1 ALA A 21 15.673 -11.177 -6.487 1.00 1.00 H new ATOM 0 HB2 ALA A 21 14.791 -9.887 -7.339 1.00 1.00 H new ATOM 0 HB3 ALA A 21 15.953 -9.473 -6.055 1.00 1.00 H new ATOM 337 N ASP A 22 15.375 -9.873 -3.325 1.00 1.00 N ATOM 338 CA ASP A 22 15.984 -10.206 -2.034 1.00 1.00 C ATOM 339 C ASP A 22 15.100 -9.732 -0.887 1.00 1.00 C ATOM 340 O ASP A 22 15.472 -9.843 0.282 1.00 1.00 O ATOM 341 CB ASP A 22 17.359 -9.548 -1.922 1.00 1.00 C ATOM 342 CG ASP A 22 18.312 -10.163 -2.940 1.00 1.00 C ATOM 343 OD1 ASP A 22 17.997 -11.225 -3.450 1.00 1.00 O ATOM 344 OD2 ASP A 22 19.344 -9.563 -3.195 1.00 1.00 O ATOM 0 H ASP A 22 15.550 -8.919 -3.639 1.00 1.00 H new ATOM 0 HA ASP A 22 16.091 -11.289 -1.973 1.00 1.00 H new ATOM 0 HB2 ASP A 22 17.273 -8.475 -2.093 1.00 1.00 H new ATOM 0 HB3 ASP A 22 17.754 -9.680 -0.915 1.00 1.00 H new ATOM 349 N VAL A 23 13.927 -9.200 -1.228 1.00 1.00 N ATOM 350 CA VAL A 23 12.983 -8.703 -0.224 1.00 1.00 C ATOM 351 C VAL A 23 11.635 -9.394 -0.378 1.00 1.00 C ATOM 352 O VAL A 23 11.113 -9.518 -1.487 1.00 1.00 O ATOM 353 CB VAL A 23 12.801 -7.194 -0.378 1.00 1.00 C ATOM 354 CG1 VAL A 23 11.807 -6.686 0.672 1.00 1.00 C ATOM 355 CG2 VAL A 23 14.152 -6.499 -0.195 1.00 1.00 C ATOM 0 H VAL A 23 13.606 -9.101 -2.191 1.00 1.00 H new ATOM 0 HA VAL A 23 13.385 -8.920 0.766 1.00 1.00 H new ATOM 0 HB VAL A 23 12.413 -6.972 -1.372 1.00 1.00 H new ATOM 0 HG11 VAL A 23 11.679 -5.609 0.561 1.00 1.00 H new ATOM 0 HG12 VAL A 23 10.846 -7.182 0.534 1.00 1.00 H new ATOM 0 HG13 VAL A 23 12.188 -6.905 1.670 1.00 1.00 H new ATOM 0 HG21 VAL A 23 14.025 -5.422 -0.304 1.00 1.00 H new ATOM 0 HG22 VAL A 23 14.543 -6.719 0.798 1.00 1.00 H new ATOM 0 HG23 VAL A 23 14.852 -6.860 -0.948 1.00 1.00 H new ATOM 365 N VAL A 24 11.074 -9.841 0.744 1.00 1.00 N ATOM 366 CA VAL A 24 9.779 -10.523 0.739 1.00 1.00 C ATOM 367 C VAL A 24 8.767 -9.724 1.552 1.00 1.00 C ATOM 368 O VAL A 24 9.041 -9.324 2.685 1.00 1.00 O ATOM 369 CB VAL A 24 9.928 -11.924 1.342 1.00 1.00 C ATOM 370 CG1 VAL A 24 8.546 -12.561 1.536 1.00 1.00 C ATOM 371 CG2 VAL A 24 10.764 -12.798 0.405 1.00 1.00 C ATOM 0 H VAL A 24 11.495 -9.744 1.668 1.00 1.00 H new ATOM 0 HA VAL A 24 9.427 -10.607 -0.289 1.00 1.00 H new ATOM 0 HB VAL A 24 10.425 -11.844 2.309 1.00 1.00 H new ATOM 0 HG11 VAL A 24 8.661 -13.556 1.965 1.00 1.00 H new ATOM 0 HG12 VAL A 24 7.952 -11.943 2.209 1.00 1.00 H new ATOM 0 HG13 VAL A 24 8.042 -12.637 0.573 1.00 1.00 H new ATOM 0 HG21 VAL A 24 10.870 -13.794 0.834 1.00 1.00 H new ATOM 0 HG22 VAL A 24 10.269 -12.871 -0.563 1.00 1.00 H new ATOM 0 HG23 VAL A 24 11.750 -12.352 0.275 1.00 1.00 H new ATOM 381 N VAL A 25 7.593 -9.502 0.965 1.00 1.00 N ATOM 382 CA VAL A 25 6.524 -8.756 1.629 1.00 1.00 C ATOM 383 C VAL A 25 5.315 -9.664 1.848 1.00 1.00 C ATOM 384 O VAL A 25 4.896 -10.388 0.944 1.00 1.00 O ATOM 385 CB VAL A 25 6.117 -7.551 0.775 1.00 1.00 C ATOM 386 CG1 VAL A 25 4.862 -6.897 1.364 1.00 1.00 C ATOM 387 CG2 VAL A 25 7.262 -6.533 0.748 1.00 1.00 C ATOM 0 H VAL A 25 7.357 -9.829 0.028 1.00 1.00 H new ATOM 0 HA VAL A 25 6.887 -8.403 2.594 1.00 1.00 H new ATOM 0 HB VAL A 25 5.904 -7.885 -0.240 1.00 1.00 H new ATOM 0 HG11 VAL A 25 4.577 -6.041 0.753 1.00 1.00 H new ATOM 0 HG12 VAL A 25 4.047 -7.621 1.377 1.00 1.00 H new ATOM 0 HG13 VAL A 25 5.068 -6.564 2.381 1.00 1.00 H new ATOM 0 HG21 VAL A 25 6.972 -5.676 0.140 1.00 1.00 H new ATOM 0 HG22 VAL A 25 7.478 -6.201 1.764 1.00 1.00 H new ATOM 0 HG23 VAL A 25 8.151 -6.997 0.321 1.00 1.00 H new ATOM 397 N THR A 26 4.761 -9.615 3.058 1.00 1.00 N ATOM 398 CA THR A 26 3.597 -10.429 3.411 1.00 1.00 C ATOM 399 C THR A 26 2.510 -9.555 4.031 1.00 1.00 C ATOM 400 O THR A 26 2.766 -8.431 4.459 1.00 1.00 O ATOM 401 CB THR A 26 4.011 -11.528 4.404 1.00 1.00 C ATOM 402 OG1 THR A 26 4.971 -11.006 5.313 1.00 1.00 O ATOM 403 CG2 THR A 26 4.613 -12.713 3.647 1.00 1.00 C ATOM 0 H THR A 26 5.100 -9.019 3.813 1.00 1.00 H new ATOM 0 HA THR A 26 3.204 -10.891 2.506 1.00 1.00 H new ATOM 0 HB THR A 26 3.133 -11.865 4.954 1.00 1.00 H new ATOM 0 HG1 THR A 26 5.234 -11.705 5.948 1.00 1.00 H new ATOM 0 HG21 THR A 26 4.904 -13.488 4.356 1.00 1.00 H new ATOM 0 HG22 THR A 26 3.874 -13.115 2.953 1.00 1.00 H new ATOM 0 HG23 THR A 26 5.490 -12.382 3.091 1.00 1.00 H new ATOM 411 N ALA A 27 1.296 -10.088 4.070 1.00 1.00 N ATOM 412 CA ALA A 27 0.169 -9.374 4.633 1.00 1.00 C ATOM 413 C ALA A 27 0.405 -9.086 6.111 1.00 1.00 C ATOM 414 O ALA A 27 -0.188 -8.171 6.677 1.00 1.00 O ATOM 415 CB ALA A 27 -1.092 -10.219 4.452 1.00 1.00 C ATOM 0 H ALA A 27 1.071 -11.017 3.715 1.00 1.00 H new ATOM 0 HA ALA A 27 0.049 -8.421 4.118 1.00 1.00 H new ATOM 0 HB1 ALA A 27 -1.948 -9.691 4.873 1.00 1.00 H new ATOM 0 HB2 ALA A 27 -1.262 -10.397 3.390 1.00 1.00 H new ATOM 0 HB3 ALA A 27 -0.967 -11.173 4.964 1.00 1.00 H new ATOM 421 N ASP A 28 1.264 -9.886 6.730 1.00 1.00 N ATOM 422 CA ASP A 28 1.569 -9.718 8.150 1.00 1.00 C ATOM 423 C ASP A 28 2.718 -8.734 8.342 1.00 1.00 C ATOM 424 O ASP A 28 2.893 -8.178 9.427 1.00 1.00 O ATOM 425 CB ASP A 28 1.946 -11.066 8.768 1.00 1.00 C ATOM 426 CG ASP A 28 1.962 -10.955 10.289 1.00 1.00 C ATOM 427 OD1 ASP A 28 1.445 -9.972 10.797 1.00 1.00 O ATOM 428 OD2 ASP A 28 2.488 -11.853 10.924 1.00 1.00 O ATOM 0 H ASP A 28 1.760 -10.653 6.277 1.00 1.00 H new ATOM 0 HA ASP A 28 0.681 -9.325 8.645 1.00 1.00 H new ATOM 0 HB2 ASP A 28 1.233 -11.830 8.458 1.00 1.00 H new ATOM 0 HB3 ASP A 28 2.926 -11.380 8.407 1.00 1.00 H new ATOM 433 N SER A 29 3.499 -8.521 7.289 1.00 1.00 N ATOM 434 CA SER A 29 4.623 -7.602 7.366 1.00 1.00 C ATOM 435 C SER A 29 4.134 -6.163 7.454 1.00 1.00 C ATOM 436 O SER A 29 3.220 -5.762 6.732 1.00 1.00 O ATOM 437 CB SER A 29 5.509 -7.766 6.134 1.00 1.00 C ATOM 438 OG SER A 29 6.400 -6.667 6.055 1.00 1.00 O ATOM 0 H SER A 29 3.375 -8.969 6.381 1.00 1.00 H new ATOM 0 HA SER A 29 5.198 -7.832 8.263 1.00 1.00 H new ATOM 0 HB2 SER A 29 6.068 -8.700 6.194 1.00 1.00 H new ATOM 0 HB3 SER A 29 4.896 -7.819 5.234 1.00 1.00 H new ATOM 0 HG SER A 29 7.303 -6.960 6.297 1.00 1.00 H new ATOM 444 N GLU A 30 4.757 -5.386 8.336 1.00 1.00 N ATOM 445 CA GLU A 30 4.396 -3.981 8.512 1.00 1.00 C ATOM 446 C GLU A 30 5.297 -3.097 7.664 1.00 1.00 C ATOM 447 O GLU A 30 6.485 -3.373 7.510 1.00 1.00 O ATOM 448 CB GLU A 30 4.519 -3.588 9.984 1.00 1.00 C ATOM 449 CG GLU A 30 3.369 -4.198 10.782 1.00 1.00 C ATOM 450 CD GLU A 30 3.548 -3.890 12.266 1.00 1.00 C ATOM 451 OE1 GLU A 30 4.532 -3.254 12.602 1.00 1.00 O ATOM 452 OE2 GLU A 30 2.699 -4.297 13.041 1.00 1.00 O ATOM 0 H GLU A 30 5.514 -5.705 8.940 1.00 1.00 H new ATOM 0 HA GLU A 30 3.363 -3.843 8.192 1.00 1.00 H new ATOM 0 HB2 GLU A 30 5.473 -3.932 10.383 1.00 1.00 H new ATOM 0 HB3 GLU A 30 4.506 -2.502 10.082 1.00 1.00 H new ATOM 0 HG2 GLU A 30 2.418 -3.798 10.430 1.00 1.00 H new ATOM 0 HG3 GLU A 30 3.338 -5.276 10.626 1.00 1.00 H new ATOM 459 N PHE A 31 4.722 -2.032 7.118 1.00 1.00 N ATOM 460 CA PHE A 31 5.475 -1.114 6.277 1.00 1.00 C ATOM 461 C PHE A 31 6.761 -0.676 6.973 1.00 1.00 C ATOM 462 O PHE A 31 7.781 -0.448 6.321 1.00 1.00 O ATOM 463 CB PHE A 31 4.620 0.116 5.951 1.00 1.00 C ATOM 464 CG PHE A 31 3.522 -0.263 4.980 1.00 1.00 C ATOM 465 CD1 PHE A 31 3.794 -0.339 3.606 1.00 1.00 C ATOM 466 CD2 PHE A 31 2.229 -0.531 5.450 1.00 1.00 C ATOM 467 CE1 PHE A 31 2.774 -0.683 2.712 1.00 1.00 C ATOM 468 CE2 PHE A 31 1.213 -0.874 4.552 1.00 1.00 C ATOM 469 CZ PHE A 31 1.486 -0.949 3.183 1.00 1.00 C ATOM 0 H PHE A 31 3.740 -1.785 7.243 1.00 1.00 H new ATOM 0 HA PHE A 31 5.737 -1.630 5.353 1.00 1.00 H new ATOM 0 HB2 PHE A 31 4.185 0.520 6.865 1.00 1.00 H new ATOM 0 HB3 PHE A 31 5.244 0.900 5.521 1.00 1.00 H new ATOM 0 HD1 PHE A 31 4.788 -0.132 3.239 1.00 1.00 H new ATOM 0 HD2 PHE A 31 2.017 -0.473 6.507 1.00 1.00 H new ATOM 0 HE1 PHE A 31 2.983 -0.743 1.654 1.00 1.00 H new ATOM 0 HE2 PHE A 31 0.218 -1.081 4.916 1.00 1.00 H new ATOM 0 HZ PHE A 31 0.701 -1.213 2.490 1.00 1.00 H new ATOM 479 N SER A 32 6.710 -0.556 8.294 1.00 1.00 N ATOM 480 CA SER A 32 7.885 -0.142 9.055 1.00 1.00 C ATOM 481 C SER A 32 9.033 -1.141 8.882 1.00 1.00 C ATOM 482 O SER A 32 10.176 -0.748 8.655 1.00 1.00 O ATOM 483 CB SER A 32 7.524 -0.025 10.536 1.00 1.00 C ATOM 484 OG SER A 32 7.053 -1.280 11.005 1.00 1.00 O ATOM 0 H SER A 32 5.879 -0.737 8.856 1.00 1.00 H new ATOM 0 HA SER A 32 8.214 0.827 8.678 1.00 1.00 H new ATOM 0 HB2 SER A 32 8.396 0.287 11.111 1.00 1.00 H new ATOM 0 HB3 SER A 32 6.759 0.739 10.676 1.00 1.00 H new ATOM 0 HG SER A 32 6.822 -1.209 11.955 1.00 1.00 H new ATOM 490 N LYS A 33 8.720 -2.432 8.983 1.00 1.00 N ATOM 491 CA LYS A 33 9.728 -3.477 8.831 1.00 1.00 C ATOM 492 C LYS A 33 10.317 -3.455 7.423 1.00 1.00 C ATOM 493 O LYS A 33 11.501 -3.733 7.230 1.00 1.00 O ATOM 494 CB LYS A 33 9.096 -4.850 9.116 1.00 1.00 C ATOM 495 CG LYS A 33 9.062 -5.116 10.623 1.00 1.00 C ATOM 496 CD LYS A 33 8.455 -3.916 11.354 1.00 1.00 C ATOM 497 CE LYS A 33 7.989 -4.351 12.744 1.00 1.00 C ATOM 498 NZ LYS A 33 6.782 -5.216 12.617 1.00 1.00 N ATOM 0 H LYS A 33 7.779 -2.778 9.169 1.00 1.00 H new ATOM 0 HA LYS A 33 10.533 -3.294 9.543 1.00 1.00 H new ATOM 0 HB2 LYS A 33 8.085 -4.884 8.711 1.00 1.00 H new ATOM 0 HB3 LYS A 33 9.666 -5.632 8.614 1.00 1.00 H new ATOM 0 HG2 LYS A 33 8.476 -6.012 10.829 1.00 1.00 H new ATOM 0 HG3 LYS A 33 10.071 -5.303 10.990 1.00 1.00 H new ATOM 0 HD2 LYS A 33 9.192 -3.117 11.439 1.00 1.00 H new ATOM 0 HD3 LYS A 33 7.615 -3.516 10.785 1.00 1.00 H new ATOM 0 HE2 LYS A 33 8.786 -4.893 13.253 1.00 1.00 H new ATOM 0 HE3 LYS A 33 7.760 -3.476 13.352 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 5.947 -4.698 12.957 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 6.645 -5.477 11.620 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 6.911 -6.077 13.185 1.00 1.00 H new ATOM 512 N LEU A 34 9.483 -3.137 6.444 1.00 1.00 N ATOM 513 CA LEU A 34 9.936 -3.097 5.062 1.00 1.00 C ATOM 514 C LEU A 34 10.961 -1.985 4.870 1.00 1.00 C ATOM 515 O LEU A 34 11.739 -2.003 3.915 1.00 1.00 O ATOM 516 CB LEU A 34 8.746 -2.879 4.126 1.00 1.00 C ATOM 517 CG LEU A 34 7.665 -3.935 4.395 1.00 1.00 C ATOM 518 CD1 LEU A 34 6.515 -3.751 3.401 1.00 1.00 C ATOM 519 CD2 LEU A 34 8.255 -5.349 4.260 1.00 1.00 C ATOM 0 H LEU A 34 8.499 -2.905 6.579 1.00 1.00 H new ATOM 0 HA LEU A 34 10.407 -4.050 4.823 1.00 1.00 H new ATOM 0 HB2 LEU A 34 8.335 -1.880 4.274 1.00 1.00 H new ATOM 0 HB3 LEU A 34 9.074 -2.939 3.088 1.00 1.00 H new ATOM 0 HG LEU A 34 7.290 -3.811 5.411 1.00 1.00 H new ATOM 0 HD11 LEU A 34 5.747 -4.500 3.591 1.00 1.00 H new ATOM 0 HD12 LEU A 34 6.088 -2.755 3.519 1.00 1.00 H new ATOM 0 HD13 LEU A 34 6.891 -3.866 2.384 1.00 1.00 H new ATOM 0 HD21 LEU A 34 7.477 -6.088 4.453 1.00 1.00 H new ATOM 0 HD22 LEU A 34 8.643 -5.486 3.251 1.00 1.00 H new ATOM 0 HD23 LEU A 34 9.063 -5.476 4.980 1.00 1.00 H new ATOM 531 N GLY A 35 10.966 -1.022 5.787 1.00 1.00 N ATOM 532 CA GLY A 35 11.910 0.093 5.722 1.00 1.00 C ATOM 533 C GLY A 35 11.240 1.347 5.179 1.00 1.00 C ATOM 534 O GLY A 35 11.875 2.392 5.046 1.00 1.00 O ATOM 0 H GLY A 35 10.329 -0.990 6.583 1.00 1.00 H new ATOM 0 HA2 GLY A 35 12.311 0.292 6.716 1.00 1.00 H new ATOM 0 HA3 GLY A 35 12.753 -0.177 5.086 1.00 1.00 H new ATOM 538 N ALA A 36 9.955 1.241 4.870 1.00 1.00 N ATOM 539 CA ALA A 36 9.217 2.380 4.349 1.00 1.00 C ATOM 540 C ALA A 36 9.282 3.549 5.326 1.00 1.00 C ATOM 541 O ALA A 36 8.667 3.518 6.392 1.00 1.00 O ATOM 542 CB ALA A 36 7.758 1.983 4.115 1.00 1.00 C ATOM 0 H ALA A 36 9.407 0.386 4.970 1.00 1.00 H new ATOM 0 HA ALA A 36 9.667 2.688 3.405 1.00 1.00 H new ATOM 0 HB1 ALA A 36 7.206 2.838 3.724 1.00 1.00 H new ATOM 0 HB2 ALA A 36 7.714 1.164 3.397 1.00 1.00 H new ATOM 0 HB3 ALA A 36 7.312 1.663 5.057 1.00 1.00 H new ATOM 548 N ASP A 37 10.031 4.584 4.946 1.00 1.00 N ATOM 549 CA ASP A 37 10.180 5.774 5.781 1.00 1.00 C ATOM 550 C ASP A 37 9.142 6.818 5.401 1.00 1.00 C ATOM 551 O ASP A 37 8.180 6.521 4.694 1.00 1.00 O ATOM 552 CB ASP A 37 11.585 6.354 5.618 1.00 1.00 C ATOM 553 CG ASP A 37 12.606 5.414 6.252 1.00 1.00 C ATOM 554 OD1 ASP A 37 12.195 4.550 7.009 1.00 1.00 O ATOM 555 OD2 ASP A 37 13.782 5.570 5.969 1.00 1.00 O ATOM 0 H ASP A 37 10.544 4.622 4.065 1.00 1.00 H new ATOM 0 HA ASP A 37 10.029 5.491 6.823 1.00 1.00 H new ATOM 0 HB2 ASP A 37 11.811 6.493 4.561 1.00 1.00 H new ATOM 0 HB3 ASP A 37 11.640 7.336 6.087 1.00 1.00 H new ATOM 560 N SER A 38 9.338 8.042 5.872 1.00 1.00 N ATOM 561 CA SER A 38 8.404 9.110 5.573 1.00 1.00 C ATOM 562 C SER A 38 8.483 9.479 4.098 1.00 1.00 C ATOM 563 O SER A 38 7.467 9.737 3.458 1.00 1.00 O ATOM 564 CB SER A 38 8.723 10.323 6.447 1.00 1.00 C ATOM 0 H SER A 38 10.128 8.315 6.457 1.00 1.00 H new ATOM 0 HA SER A 38 7.389 8.774 5.787 1.00 1.00 H new ATOM 569 N LEU A 39 9.698 9.508 3.569 1.00 1.00 N ATOM 570 CA LEU A 39 9.911 9.845 2.177 1.00 1.00 C ATOM 571 C LEU A 39 9.308 8.775 1.271 1.00 1.00 C ATOM 572 O LEU A 39 8.751 9.075 0.218 1.00 1.00 O ATOM 573 CB LEU A 39 11.408 9.961 1.936 1.00 1.00 C ATOM 574 CG LEU A 39 11.929 11.295 2.491 1.00 1.00 C ATOM 575 CD1 LEU A 39 11.474 12.479 1.611 1.00 1.00 C ATOM 576 CD2 LEU A 39 11.441 11.510 3.932 1.00 1.00 C ATOM 0 H LEU A 39 10.551 9.301 4.088 1.00 1.00 H new ATOM 0 HA LEU A 39 9.423 10.792 1.946 1.00 1.00 H new ATOM 0 HB2 LEU A 39 11.927 9.131 2.415 1.00 1.00 H new ATOM 0 HB3 LEU A 39 11.619 9.895 0.869 1.00 1.00 H new ATOM 0 HG LEU A 39 13.018 11.251 2.484 1.00 1.00 H new ATOM 0 HD11 LEU A 39 11.857 13.410 2.028 1.00 1.00 H new ATOM 0 HD12 LEU A 39 11.858 12.349 0.599 1.00 1.00 H new ATOM 0 HD13 LEU A 39 10.385 12.515 1.584 1.00 1.00 H new ATOM 0 HD21 LEU A 39 11.821 12.460 4.307 1.00 1.00 H new ATOM 0 HD22 LEU A 39 10.351 11.523 3.949 1.00 1.00 H new ATOM 0 HD23 LEU A 39 11.804 10.700 4.564 1.00 1.00 H new ATOM 588 N ASP A 40 9.443 7.523 1.682 1.00 1.00 N ATOM 589 CA ASP A 40 8.906 6.415 0.907 1.00 1.00 C ATOM 590 C ASP A 40 7.397 6.297 1.105 1.00 1.00 C ATOM 591 O ASP A 40 6.654 6.118 0.147 1.00 1.00 O ATOM 592 CB ASP A 40 9.587 5.111 1.326 1.00 1.00 C ATOM 593 CG ASP A 40 11.018 5.075 0.796 1.00 1.00 C ATOM 594 OD1 ASP A 40 11.325 5.865 -0.083 1.00 1.00 O ATOM 595 OD2 ASP A 40 11.785 4.259 1.275 1.00 1.00 O ATOM 0 H ASP A 40 9.917 7.250 2.543 1.00 1.00 H new ATOM 0 HA ASP A 40 9.102 6.605 -0.148 1.00 1.00 H new ATOM 0 HB2 ASP A 40 9.591 5.026 2.413 1.00 1.00 H new ATOM 0 HB3 ASP A 40 9.027 4.259 0.942 1.00 1.00 H new ATOM 600 N THR A 41 6.955 6.398 2.354 1.00 1.00 N ATOM 601 CA THR A 41 5.533 6.273 2.667 1.00 1.00 C ATOM 602 C THR A 41 4.687 7.096 1.704 1.00 1.00 C ATOM 603 O THR A 41 3.642 6.642 1.238 1.00 1.00 O ATOM 604 CB THR A 41 5.275 6.745 4.103 1.00 1.00 C ATOM 605 OG1 THR A 41 5.934 5.874 5.012 1.00 1.00 O ATOM 606 CG2 THR A 41 3.771 6.743 4.393 1.00 1.00 C ATOM 0 H THR A 41 7.555 6.565 3.162 1.00 1.00 H new ATOM 0 HA THR A 41 5.253 5.224 2.566 1.00 1.00 H new ATOM 0 HB THR A 41 5.659 7.758 4.221 1.00 1.00 H new ATOM 0 HG1 THR A 41 6.839 6.207 5.186 1.00 1.00 H new ATOM 0 HG21 THR A 41 3.597 7.080 5.415 1.00 1.00 H new ATOM 0 HG22 THR A 41 3.266 7.415 3.699 1.00 1.00 H new ATOM 0 HG23 THR A 41 3.378 5.733 4.272 1.00 1.00 H new ATOM 614 N VAL A 42 5.149 8.296 1.398 1.00 1.00 N ATOM 615 CA VAL A 42 4.431 9.166 0.477 1.00 1.00 C ATOM 616 C VAL A 42 4.516 8.618 -0.945 1.00 1.00 C ATOM 617 O VAL A 42 3.588 8.773 -1.738 1.00 1.00 O ATOM 618 CB VAL A 42 4.993 10.588 0.545 1.00 1.00 C ATOM 619 CG1 VAL A 42 6.502 10.542 0.357 1.00 1.00 C ATOM 620 CG2 VAL A 42 4.371 11.445 -0.564 1.00 1.00 C ATOM 0 H VAL A 42 6.013 8.690 1.770 1.00 1.00 H new ATOM 0 HA VAL A 42 3.381 9.197 0.769 1.00 1.00 H new ATOM 0 HB VAL A 42 4.755 11.024 1.515 1.00 1.00 H new ATOM 0 HG11 VAL A 42 6.906 11.553 0.405 1.00 1.00 H new ATOM 0 HG12 VAL A 42 6.948 9.935 1.145 1.00 1.00 H new ATOM 0 HG13 VAL A 42 6.735 10.104 -0.614 1.00 1.00 H new ATOM 0 HG21 VAL A 42 4.774 12.456 -0.512 1.00 1.00 H new ATOM 0 HG22 VAL A 42 4.607 11.010 -1.535 1.00 1.00 H new ATOM 0 HG23 VAL A 42 3.289 11.478 -0.435 1.00 1.00 H new ATOM 630 N GLU A 43 5.633 7.978 -1.265 1.00 1.00 N ATOM 631 CA GLU A 43 5.814 7.412 -2.590 1.00 1.00 C ATOM 632 C GLU A 43 4.906 6.200 -2.790 1.00 1.00 C ATOM 633 O GLU A 43 4.383 5.979 -3.883 1.00 1.00 O ATOM 634 CB GLU A 43 7.273 7.005 -2.796 1.00 1.00 C ATOM 635 CG GLU A 43 8.148 8.253 -2.915 1.00 1.00 C ATOM 636 CD GLU A 43 9.607 7.853 -3.099 1.00 1.00 C ATOM 637 OE1 GLU A 43 9.872 6.664 -3.153 1.00 1.00 O ATOM 638 OE2 GLU A 43 10.439 8.742 -3.180 1.00 1.00 O ATOM 0 H GLU A 43 6.419 7.840 -0.630 1.00 1.00 H new ATOM 0 HA GLU A 43 5.547 8.172 -3.324 1.00 1.00 H new ATOM 0 HB2 GLU A 43 7.610 6.392 -1.960 1.00 1.00 H new ATOM 0 HB3 GLU A 43 7.367 6.397 -3.696 1.00 1.00 H new ATOM 0 HG2 GLU A 43 7.819 8.858 -3.760 1.00 1.00 H new ATOM 0 HG3 GLU A 43 8.041 8.868 -2.022 1.00 1.00 H new ATOM 645 N ILE A 44 4.733 5.411 -1.732 1.00 1.00 N ATOM 646 CA ILE A 44 3.894 4.218 -1.815 1.00 1.00 C ATOM 647 C ILE A 44 2.455 4.586 -2.161 1.00 1.00 C ATOM 648 O ILE A 44 1.870 4.035 -3.092 1.00 1.00 O ATOM 649 CB ILE A 44 3.912 3.480 -0.473 1.00 1.00 C ATOM 650 CG1 ILE A 44 5.350 3.127 -0.066 1.00 1.00 C ATOM 651 CG2 ILE A 44 3.083 2.206 -0.573 1.00 1.00 C ATOM 652 CD1 ILE A 44 6.057 2.331 -1.166 1.00 1.00 C ATOM 0 H ILE A 44 5.156 5.573 -0.818 1.00 1.00 H new ATOM 0 HA ILE A 44 4.292 3.577 -2.601 1.00 1.00 H new ATOM 0 HB ILE A 44 3.485 4.136 0.286 1.00 1.00 H new ATOM 0 HG12 ILE A 44 5.907 4.041 0.140 1.00 1.00 H new ATOM 0 HG13 ILE A 44 5.338 2.546 0.856 1.00 1.00 H new ATOM 0 HG21 ILE A 44 3.099 1.685 0.384 1.00 1.00 H new ATOM 0 HG22 ILE A 44 2.055 2.460 -0.830 1.00 1.00 H new ATOM 0 HG23 ILE A 44 3.501 1.560 -1.345 1.00 1.00 H new ATOM 0 HD11 ILE A 44 7.073 2.096 -0.849 1.00 1.00 H new ATOM 0 HD12 ILE A 44 5.512 1.406 -1.353 1.00 1.00 H new ATOM 0 HD13 ILE A 44 6.090 2.924 -2.080 1.00 1.00 H new ATOM 664 N VAL A 45 1.889 5.526 -1.417 1.00 1.00 N ATOM 665 CA VAL A 45 0.523 5.953 -1.674 1.00 1.00 C ATOM 666 C VAL A 45 0.426 6.645 -3.027 1.00 1.00 C ATOM 667 O VAL A 45 -0.534 6.447 -3.770 1.00 1.00 O ATOM 668 CB VAL A 45 0.053 6.897 -0.569 1.00 1.00 C ATOM 669 CG1 VAL A 45 1.016 8.078 -0.466 1.00 1.00 C ATOM 670 CG2 VAL A 45 -1.351 7.409 -0.898 1.00 1.00 C ATOM 0 H VAL A 45 2.348 6.002 -0.640 1.00 1.00 H new ATOM 0 HA VAL A 45 -0.119 5.072 -1.687 1.00 1.00 H new ATOM 0 HB VAL A 45 0.030 6.363 0.381 1.00 1.00 H new ATOM 0 HG11 VAL A 45 0.682 8.752 0.322 1.00 1.00 H new ATOM 0 HG12 VAL A 45 2.016 7.713 -0.231 1.00 1.00 H new ATOM 0 HG13 VAL A 45 1.039 8.613 -1.416 1.00 1.00 H new ATOM 0 HG21 VAL A 45 -1.687 8.083 -0.110 1.00 1.00 H new ATOM 0 HG22 VAL A 45 -1.330 7.944 -1.848 1.00 1.00 H new ATOM 0 HG23 VAL A 45 -2.038 6.566 -0.971 1.00 1.00 H new ATOM 680 N MET A 46 1.421 7.465 -3.341 1.00 1.00 N ATOM 681 CA MET A 46 1.422 8.189 -4.606 1.00 1.00 C ATOM 682 C MET A 46 1.302 7.218 -5.774 1.00 1.00 C ATOM 683 O MET A 46 0.484 7.414 -6.673 1.00 1.00 O ATOM 684 CB MET A 46 2.720 8.995 -4.736 1.00 1.00 C ATOM 685 CG MET A 46 2.679 9.852 -6.006 1.00 1.00 C ATOM 686 SD MET A 46 4.258 10.716 -6.200 1.00 1.00 S ATOM 687 CE MET A 46 4.157 11.731 -4.704 1.00 1.00 C ATOM 0 H MET A 46 2.229 7.644 -2.745 1.00 1.00 H new ATOM 0 HA MET A 46 0.568 8.866 -4.624 1.00 1.00 H new ATOM 0 HB2 MET A 46 2.851 9.632 -3.861 1.00 1.00 H new ATOM 0 HB3 MET A 46 3.575 8.320 -4.770 1.00 1.00 H new ATOM 0 HG2 MET A 46 2.486 9.224 -6.876 1.00 1.00 H new ATOM 0 HG3 MET A 46 1.863 10.572 -5.946 1.00 1.00 H new ATOM 0 HE1 MET A 46 4.690 12.668 -4.863 1.00 1.00 H new ATOM 0 HE2 MET A 46 3.112 11.942 -4.478 1.00 1.00 H new ATOM 0 HE3 MET A 46 4.608 11.194 -3.869 1.00 1.00 H new ATOM 697 N ASN A 47 2.119 6.172 -5.759 1.00 1.00 N ATOM 698 CA ASN A 47 2.089 5.183 -6.828 1.00 1.00 C ATOM 699 C ASN A 47 0.754 4.443 -6.841 1.00 1.00 C ATOM 700 O ASN A 47 0.177 4.203 -7.902 1.00 1.00 O ATOM 701 CB ASN A 47 3.242 4.187 -6.639 1.00 1.00 C ATOM 702 CG ASN A 47 4.549 4.805 -7.127 1.00 1.00 C ATOM 703 OD1 ASN A 47 4.990 5.897 -6.563 1.00 1.00 O flip ATOM 704 ND2 ASN A 47 5.180 4.285 -8.047 1.00 1.00 N flip ATOM 0 H ASN A 47 2.804 5.988 -5.026 1.00 1.00 H new ATOM 0 HA ASN A 47 2.205 5.695 -7.783 1.00 1.00 H new ATOM 0 HB2 ASN A 47 3.329 3.914 -5.587 1.00 1.00 H new ATOM 0 HB3 ASN A 47 3.035 3.270 -7.190 1.00 1.00 H new ATOM 0 HD21 ASN A 47 4.833 3.432 -8.485 1.00 1.00 H new ATOM 0 HD22 ASN A 47 6.050 4.707 -8.371 1.00 1.00 H new ATOM 711 N LEU A 48 0.270 4.078 -5.658 1.00 1.00 N ATOM 712 CA LEU A 48 -0.994 3.363 -5.552 1.00 1.00 C ATOM 713 C LEU A 48 -2.146 4.238 -6.030 1.00 1.00 C ATOM 714 O LEU A 48 -3.038 3.776 -6.739 1.00 1.00 O ATOM 715 CB LEU A 48 -1.227 2.942 -4.097 1.00 1.00 C ATOM 716 CG LEU A 48 -0.200 1.877 -3.683 1.00 1.00 C ATOM 717 CD1 LEU A 48 -0.203 1.736 -2.160 1.00 1.00 C ATOM 718 CD2 LEU A 48 -0.546 0.519 -4.307 1.00 1.00 C ATOM 0 H LEU A 48 0.730 4.264 -4.767 1.00 1.00 H new ATOM 0 HA LEU A 48 -0.949 2.476 -6.184 1.00 1.00 H new ATOM 0 HB2 LEU A 48 -1.146 3.810 -3.442 1.00 1.00 H new ATOM 0 HB3 LEU A 48 -2.237 2.548 -3.982 1.00 1.00 H new ATOM 0 HG LEU A 48 0.784 2.189 -4.034 1.00 1.00 H new ATOM 0 HD11 LEU A 48 0.525 0.981 -1.863 1.00 1.00 H new ATOM 0 HD12 LEU A 48 0.059 2.691 -1.706 1.00 1.00 H new ATOM 0 HD13 LEU A 48 -1.195 1.435 -1.824 1.00 1.00 H new ATOM 0 HD21 LEU A 48 0.194 -0.221 -4.001 1.00 1.00 H new ATOM 0 HD22 LEU A 48 -1.534 0.205 -3.970 1.00 1.00 H new ATOM 0 HD23 LEU A 48 -0.544 0.607 -5.393 1.00 1.00 H new ATOM 730 N GLU A 49 -2.120 5.505 -5.652 1.00 1.00 N ATOM 731 CA GLU A 49 -3.172 6.416 -6.066 1.00 1.00 C ATOM 732 C GLU A 49 -3.227 6.511 -7.584 1.00 1.00 C ATOM 733 O GLU A 49 -4.302 6.510 -8.181 1.00 1.00 O ATOM 734 CB GLU A 49 -2.935 7.801 -5.459 1.00 1.00 C ATOM 735 CG GLU A 49 -3.322 7.790 -3.978 1.00 1.00 C ATOM 736 CD GLU A 49 -3.023 9.147 -3.354 1.00 1.00 C ATOM 737 OE1 GLU A 49 -2.544 10.012 -4.068 1.00 1.00 O ATOM 738 OE2 GLU A 49 -3.280 9.304 -2.171 1.00 1.00 O ATOM 0 H GLU A 49 -1.394 5.921 -5.068 1.00 1.00 H new ATOM 0 HA GLU A 49 -4.127 6.031 -5.708 1.00 1.00 H new ATOM 0 HB2 GLU A 49 -1.888 8.082 -5.569 1.00 1.00 H new ATOM 0 HB3 GLU A 49 -3.523 8.548 -5.993 1.00 1.00 H new ATOM 0 HG2 GLU A 49 -4.381 7.557 -3.872 1.00 1.00 H new ATOM 0 HG3 GLU A 49 -2.770 7.010 -3.455 1.00 1.00 H new ATOM 745 N GLU A 50 -2.059 6.586 -8.199 1.00 1.00 N ATOM 746 CA GLU A 50 -1.975 6.673 -9.651 1.00 1.00 C ATOM 747 C GLU A 50 -2.283 5.326 -10.298 1.00 1.00 C ATOM 748 O GLU A 50 -2.935 5.266 -11.340 1.00 1.00 O ATOM 749 CB GLU A 50 -0.581 7.139 -10.076 1.00 1.00 C ATOM 750 CG GLU A 50 -0.538 7.312 -11.599 1.00 1.00 C ATOM 751 CD GLU A 50 0.813 7.877 -12.022 1.00 1.00 C ATOM 752 OE1 GLU A 50 1.719 7.864 -11.207 1.00 1.00 O ATOM 753 OE2 GLU A 50 0.920 8.318 -13.155 1.00 1.00 O ATOM 0 H GLU A 50 -1.158 6.589 -7.720 1.00 1.00 H new ATOM 0 HA GLU A 50 -2.716 7.399 -9.986 1.00 1.00 H new ATOM 0 HB2 GLU A 50 -0.337 8.081 -9.586 1.00 1.00 H new ATOM 0 HB3 GLU A 50 0.168 6.412 -9.761 1.00 1.00 H new ATOM 0 HG2 GLU A 50 -0.709 6.353 -12.087 1.00 1.00 H new ATOM 0 HG3 GLU A 50 -1.337 7.980 -11.920 1.00 1.00 H new ATOM 760 N GLU A 51 -1.801 4.246 -9.686 1.00 1.00 N ATOM 761 CA GLU A 51 -2.026 2.917 -10.233 1.00 1.00 C ATOM 762 C GLU A 51 -3.498 2.534 -10.145 1.00 1.00 C ATOM 763 O GLU A 51 -4.057 1.962 -11.081 1.00 1.00 O ATOM 764 CB GLU A 51 -1.177 1.896 -9.467 1.00 1.00 C ATOM 765 CG GLU A 51 -1.061 0.597 -10.273 1.00 1.00 C ATOM 766 CD GLU A 51 -2.407 -0.116 -10.305 1.00 1.00 C ATOM 767 OE1 GLU A 51 -3.136 -0.006 -9.335 1.00 1.00 O ATOM 768 OE2 GLU A 51 -2.688 -0.764 -11.301 1.00 1.00 O ATOM 0 H GLU A 51 -1.259 4.267 -8.822 1.00 1.00 H new ATOM 0 HA GLU A 51 -1.736 2.921 -11.284 1.00 1.00 H new ATOM 0 HB2 GLU A 51 -0.185 2.305 -9.278 1.00 1.00 H new ATOM 0 HB3 GLU A 51 -1.628 1.692 -8.496 1.00 1.00 H new ATOM 0 HG2 GLU A 51 -0.732 0.817 -11.289 1.00 1.00 H new ATOM 0 HG3 GLU A 51 -0.307 -0.052 -9.827 1.00 1.00 H new ATOM 775 N PHE A 52 -4.119 2.844 -9.011 1.00 1.00 N ATOM 776 CA PHE A 52 -5.528 2.521 -8.803 1.00 1.00 C ATOM 777 C PHE A 52 -6.408 3.722 -9.141 1.00 1.00 C ATOM 778 O PHE A 52 -7.634 3.614 -9.171 1.00 1.00 O ATOM 779 CB PHE A 52 -5.742 2.112 -7.346 1.00 1.00 C ATOM 780 CG PHE A 52 -5.166 0.736 -7.114 1.00 1.00 C ATOM 781 CD1 PHE A 52 -3.812 0.598 -6.782 1.00 1.00 C ATOM 782 CD2 PHE A 52 -5.976 -0.398 -7.230 1.00 1.00 C ATOM 783 CE1 PHE A 52 -3.269 -0.671 -6.563 1.00 1.00 C ATOM 784 CE2 PHE A 52 -5.433 -1.671 -7.011 1.00 1.00 C ATOM 785 CZ PHE A 52 -4.080 -1.807 -6.679 1.00 1.00 C ATOM 0 H PHE A 52 -3.672 3.316 -8.225 1.00 1.00 H new ATOM 0 HA PHE A 52 -5.805 1.696 -9.460 1.00 1.00 H new ATOM 0 HB2 PHE A 52 -5.265 2.833 -6.682 1.00 1.00 H new ATOM 0 HB3 PHE A 52 -6.806 2.116 -7.110 1.00 1.00 H new ATOM 0 HD1 PHE A 52 -3.186 1.474 -6.695 1.00 1.00 H new ATOM 0 HD2 PHE A 52 -7.019 -0.293 -7.488 1.00 1.00 H new ATOM 0 HE1 PHE A 52 -2.226 -0.776 -6.305 1.00 1.00 H new ATOM 0 HE2 PHE A 52 -6.058 -2.547 -7.098 1.00 1.00 H new ATOM 0 HZ PHE A 52 -3.661 -2.788 -6.512 1.00 1.00 H new ATOM 795 N GLY A 53 -5.777 4.860 -9.407 1.00 1.00 N ATOM 796 CA GLY A 53 -6.519 6.067 -9.755 1.00 1.00 C ATOM 797 C GLY A 53 -7.463 6.481 -8.629 1.00 1.00 C ATOM 798 O GLY A 53 -8.635 6.777 -8.867 1.00 1.00 O ATOM 0 H GLY A 53 -4.763 4.973 -9.389 1.00 1.00 H new ATOM 0 HA2 GLY A 53 -5.821 6.878 -9.964 1.00 1.00 H new ATOM 0 HA3 GLY A 53 -7.091 5.895 -10.667 1.00 1.00 H new ATOM 802 N ILE A 54 -6.945 6.500 -7.401 1.00 1.00 N ATOM 803 CA ILE A 54 -7.742 6.881 -6.230 1.00 1.00 C ATOM 804 C ILE A 54 -7.059 8.012 -5.466 1.00 1.00 C ATOM 805 O ILE A 54 -5.870 8.273 -5.660 1.00 1.00 O ATOM 806 CB ILE A 54 -7.931 5.671 -5.306 1.00 1.00 C ATOM 807 CG1 ILE A 54 -6.560 5.150 -4.841 1.00 1.00 C ATOM 808 CG2 ILE A 54 -8.669 4.563 -6.067 1.00 1.00 C ATOM 809 CD1 ILE A 54 -6.737 4.090 -3.747 1.00 1.00 C ATOM 0 H ILE A 54 -5.977 6.256 -7.189 1.00 1.00 H new ATOM 0 HA ILE A 54 -8.717 7.227 -6.572 1.00 1.00 H new ATOM 0 HB ILE A 54 -8.514 5.969 -4.435 1.00 1.00 H new ATOM 0 HG12 ILE A 54 -6.020 4.724 -5.686 1.00 1.00 H new ATOM 0 HG13 ILE A 54 -5.959 5.976 -4.462 1.00 1.00 H new ATOM 0 HG21 ILE A 54 -8.805 3.701 -5.414 1.00 1.00 H new ATOM 0 HG22 ILE A 54 -9.643 4.930 -6.391 1.00 1.00 H new ATOM 0 HG23 ILE A 54 -8.084 4.269 -6.939 1.00 1.00 H new ATOM 0 HD11 ILE A 54 -5.759 3.730 -3.427 1.00 1.00 H new ATOM 0 HD12 ILE A 54 -7.258 4.529 -2.896 1.00 1.00 H new ATOM 0 HD13 ILE A 54 -7.320 3.257 -4.139 1.00 1.00 H new ATOM 821 N ASN A 55 -7.817 8.679 -4.598 1.00 1.00 N ATOM 822 CA ASN A 55 -7.284 9.786 -3.799 1.00 1.00 C ATOM 823 C ASN A 55 -7.420 9.481 -2.310 1.00 1.00 C ATOM 824 O ASN A 55 -8.529 9.427 -1.778 1.00 1.00 O ATOM 825 CB ASN A 55 -8.046 11.073 -4.138 1.00 1.00 C ATOM 826 CG ASN A 55 -8.417 11.081 -5.616 1.00 1.00 C ATOM 827 OD1 ASN A 55 -9.138 10.107 -6.104 1.00 1.00 O flip ATOM 828 ND2 ASN A 55 -8.038 11.996 -6.348 1.00 1.00 N flip ATOM 0 H ASN A 55 -8.802 8.474 -4.428 1.00 1.00 H new ATOM 0 HA ASN A 55 -6.227 9.915 -4.032 1.00 1.00 H new ATOM 0 HB2 ASN A 55 -8.946 11.145 -3.528 1.00 1.00 H new ATOM 0 HB3 ASN A 55 -7.432 11.942 -3.903 1.00 1.00 H new ATOM 0 HD21 ASN A 55 -7.475 12.756 -5.965 1.00 1.00 H new ATOM 0 HD22 ASN A 55 -8.287 11.994 -7.337 1.00 1.00 H new ATOM 835 N VAL A 56 -6.286 9.292 -1.637 1.00 1.00 N ATOM 836 CA VAL A 56 -6.286 9.006 -0.203 1.00 1.00 C ATOM 837 C VAL A 56 -5.299 9.922 0.512 1.00 1.00 C ATOM 838 O VAL A 56 -4.157 10.080 0.080 1.00 1.00 O ATOM 839 CB VAL A 56 -5.902 7.543 0.042 1.00 1.00 C ATOM 840 CG1 VAL A 56 -5.723 7.302 1.547 1.00 1.00 C ATOM 841 CG2 VAL A 56 -7.004 6.628 -0.502 1.00 1.00 C ATOM 0 H VAL A 56 -5.359 9.332 -2.060 1.00 1.00 H new ATOM 0 HA VAL A 56 -7.287 9.183 0.189 1.00 1.00 H new ATOM 0 HB VAL A 56 -4.965 7.323 -0.469 1.00 1.00 H new ATOM 0 HG11 VAL A 56 -5.450 6.261 1.719 1.00 1.00 H new ATOM 0 HG12 VAL A 56 -4.935 7.951 1.928 1.00 1.00 H new ATOM 0 HG13 VAL A 56 -6.657 7.522 2.064 1.00 1.00 H new ATOM 0 HG21 VAL A 56 -6.731 5.587 -0.328 1.00 1.00 H new ATOM 0 HG22 VAL A 56 -7.943 6.847 0.007 1.00 1.00 H new ATOM 0 HG23 VAL A 56 -7.123 6.798 -1.572 1.00 1.00 H new ATOM 851 N ASP A 57 -5.745 10.516 1.611 1.00 1.00 N ATOM 852 CA ASP A 57 -4.894 11.407 2.387 1.00 1.00 C ATOM 853 C ASP A 57 -3.995 10.600 3.321 1.00 1.00 C ATOM 854 O ASP A 57 -4.360 9.508 3.759 1.00 1.00 O ATOM 855 CB ASP A 57 -5.755 12.370 3.204 1.00 1.00 C ATOM 856 CG ASP A 57 -6.461 13.354 2.278 1.00 1.00 C ATOM 857 OD1 ASP A 57 -6.130 13.377 1.105 1.00 1.00 O ATOM 858 OD2 ASP A 57 -7.324 14.073 2.758 1.00 1.00 O ATOM 0 H ASP A 57 -6.687 10.398 1.984 1.00 1.00 H new ATOM 0 HA ASP A 57 -4.269 11.978 1.701 1.00 1.00 H new ATOM 0 HB2 ASP A 57 -6.490 11.811 3.783 1.00 1.00 H new ATOM 0 HB3 ASP A 57 -5.133 12.911 3.917 1.00 1.00 H new ATOM 863 N GLU A 58 -2.820 11.142 3.620 1.00 1.00 N ATOM 864 CA GLU A 58 -1.873 10.466 4.502 1.00 1.00 C ATOM 865 C GLU A 58 -2.432 10.351 5.916 1.00 1.00 C ATOM 866 O GLU A 58 -2.161 9.381 6.623 1.00 1.00 O ATOM 867 CB GLU A 58 -0.554 11.238 4.535 1.00 1.00 C ATOM 868 CG GLU A 58 0.142 11.117 3.179 1.00 1.00 C ATOM 869 CD GLU A 58 1.391 11.991 3.156 1.00 1.00 C ATOM 870 OE1 GLU A 58 1.680 12.604 4.170 1.00 1.00 O ATOM 871 OE2 GLU A 58 2.040 12.035 2.123 1.00 1.00 O ATOM 0 H GLU A 58 -2.500 12.044 3.267 1.00 1.00 H new ATOM 0 HA GLU A 58 -1.702 9.462 4.114 1.00 1.00 H new ATOM 0 HB2 GLU A 58 -0.740 12.286 4.768 1.00 1.00 H new ATOM 0 HB3 GLU A 58 0.090 10.846 5.322 1.00 1.00 H new ATOM 0 HG2 GLU A 58 0.411 10.078 2.990 1.00 1.00 H new ATOM 0 HG3 GLU A 58 -0.539 11.419 2.383 1.00 1.00 H new ATOM 878 N ASP A 59 -3.205 11.350 6.327 1.00 1.00 N ATOM 879 CA ASP A 59 -3.787 11.349 7.665 1.00 1.00 C ATOM 880 C ASP A 59 -4.742 10.170 7.845 1.00 1.00 C ATOM 881 O ASP A 59 -4.835 9.598 8.931 1.00 1.00 O ATOM 882 CB ASP A 59 -4.540 12.658 7.907 1.00 1.00 C ATOM 883 CG ASP A 59 -5.623 12.842 6.852 1.00 1.00 C ATOM 884 OD1 ASP A 59 -5.679 12.032 5.948 1.00 1.00 O ATOM 885 OD2 ASP A 59 -6.380 13.791 6.965 1.00 1.00 O ATOM 0 H ASP A 59 -3.442 12.164 5.760 1.00 1.00 H new ATOM 0 HA ASP A 59 -2.977 11.253 8.388 1.00 1.00 H new ATOM 0 HB2 ASP A 59 -4.987 12.651 8.901 1.00 1.00 H new ATOM 0 HB3 ASP A 59 -3.845 13.497 7.876 1.00 1.00 H new ATOM 890 N LYS A 60 -5.455 9.816 6.779 1.00 1.00 N ATOM 891 CA LYS A 60 -6.401 8.708 6.834 1.00 1.00 C ATOM 892 C LYS A 60 -5.667 7.383 6.661 1.00 1.00 C ATOM 893 O LYS A 60 -6.219 6.316 6.928 1.00 1.00 O ATOM 894 CB LYS A 60 -7.457 8.883 5.717 1.00 1.00 C ATOM 895 CG LYS A 60 -8.683 9.632 6.253 1.00 1.00 C ATOM 896 CD LYS A 60 -8.281 11.055 6.634 1.00 1.00 C ATOM 897 CE LYS A 60 -9.480 11.772 7.249 1.00 1.00 C ATOM 898 NZ LYS A 60 -9.057 13.118 7.725 1.00 1.00 N ATOM 0 H LYS A 60 -5.396 10.278 5.872 1.00 1.00 H new ATOM 0 HA LYS A 60 -6.898 8.704 7.804 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -7.024 9.433 4.881 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -7.757 7.907 5.335 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -9.468 9.654 5.498 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -9.090 9.112 7.121 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -7.453 11.034 7.343 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -7.933 11.595 5.753 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -10.278 11.868 6.513 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -9.880 11.189 8.079 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -9.094 13.146 8.764 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -8.085 13.309 7.408 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -9.696 13.840 7.336 1.00 1.00 H new ATOM 912 N ALA A 61 -4.419 7.456 6.207 1.00 1.00 N ATOM 913 CA ALA A 61 -3.625 6.250 5.999 1.00 1.00 C ATOM 914 C ALA A 61 -2.831 5.904 7.256 1.00 1.00 C ATOM 915 O ALA A 61 -1.986 5.014 7.240 1.00 1.00 O ATOM 916 CB ALA A 61 -2.665 6.444 4.827 1.00 1.00 C ATOM 0 H ALA A 61 -3.940 8.327 5.978 1.00 1.00 H new ATOM 0 HA ALA A 61 -4.307 5.430 5.775 1.00 1.00 H new ATOM 0 HB1 ALA A 61 -2.079 5.537 4.683 1.00 1.00 H new ATOM 0 HB2 ALA A 61 -3.234 6.656 3.922 1.00 1.00 H new ATOM 0 HB3 ALA A 61 -1.996 7.278 5.039 1.00 1.00 H new ATOM 922 N GLN A 62 -3.102 6.619 8.341 1.00 1.00 N ATOM 923 CA GLN A 62 -2.403 6.383 9.602 1.00 1.00 C ATOM 924 C GLN A 62 -2.791 5.031 10.195 1.00 1.00 C ATOM 925 O GLN A 62 -1.955 4.331 10.767 1.00 1.00 O ATOM 926 CB GLN A 62 -2.732 7.494 10.602 1.00 1.00 C ATOM 927 CG GLN A 62 -2.189 8.830 10.085 1.00 1.00 C ATOM 928 CD GLN A 62 -0.665 8.801 10.052 1.00 1.00 C ATOM 929 OE1 GLN A 62 -0.030 8.352 11.006 1.00 1.00 O ATOM 930 NE2 GLN A 62 -0.036 9.261 9.005 1.00 1.00 N ATOM 0 H GLN A 62 -3.797 7.364 8.375 1.00 1.00 H new ATOM 0 HA GLN A 62 -1.332 6.381 9.400 1.00 1.00 H new ATOM 0 HB2 GLN A 62 -3.810 7.560 10.746 1.00 1.00 H new ATOM 0 HB3 GLN A 62 -2.294 7.264 11.573 1.00 1.00 H new ATOM 0 HG2 GLN A 62 -2.578 9.027 9.086 1.00 1.00 H new ATOM 0 HG3 GLN A 62 -2.531 9.643 10.726 1.00 1.00 H new ATOM 0 HE21 GLN A 62 -0.564 9.633 8.215 1.00 1.00 H new ATOM 0 HE22 GLN A 62 0.984 9.249 8.976 1.00 1.00 H new ATOM 939 N ASP A 63 -4.061 4.676 10.063 1.00 1.00 N ATOM 940 CA ASP A 63 -4.551 3.412 10.597 1.00 1.00 C ATOM 941 C ASP A 63 -3.905 2.234 9.880 1.00 1.00 C ATOM 942 O ASP A 63 -4.093 1.080 10.263 1.00 1.00 O ATOM 943 CB ASP A 63 -6.063 3.334 10.432 1.00 1.00 C ATOM 944 CG ASP A 63 -6.451 3.610 8.983 1.00 1.00 C ATOM 945 OD1 ASP A 63 -5.587 4.021 8.227 1.00 1.00 O ATOM 946 OD2 ASP A 63 -7.608 3.409 8.653 1.00 1.00 O ATOM 0 H ASP A 63 -4.768 5.242 9.593 1.00 1.00 H new ATOM 0 HA ASP A 63 -4.291 3.364 11.655 1.00 1.00 H new ATOM 0 HB2 ASP A 63 -6.418 2.347 10.729 1.00 1.00 H new ATOM 0 HB3 ASP A 63 -6.545 4.058 11.089 1.00 1.00 H new ATOM 951 N ILE A 64 -3.148 2.538 8.839 1.00 1.00 N ATOM 952 CA ILE A 64 -2.477 1.499 8.065 1.00 1.00 C ATOM 953 C ILE A 64 -1.273 0.963 8.826 1.00 1.00 C ATOM 954 O ILE A 64 -0.391 1.721 9.233 1.00 1.00 O ATOM 955 CB ILE A 64 -2.016 2.064 6.726 1.00 1.00 C ATOM 956 CG1 ILE A 64 -3.220 2.665 5.993 1.00 1.00 C ATOM 957 CG2 ILE A 64 -1.370 0.967 5.876 1.00 1.00 C ATOM 958 CD1 ILE A 64 -4.311 1.611 5.744 1.00 1.00 C ATOM 0 H ILE A 64 -2.981 3.489 8.509 1.00 1.00 H new ATOM 0 HA ILE A 64 -3.183 0.686 7.895 1.00 1.00 H new ATOM 0 HB ILE A 64 -1.271 2.841 6.900 1.00 1.00 H new ATOM 0 HG12 ILE A 64 -3.632 3.485 6.580 1.00 1.00 H new ATOM 0 HG13 ILE A 64 -2.895 3.086 5.041 1.00 1.00 H new ATOM 0 HG21 ILE A 64 -1.047 1.388 4.924 1.00 1.00 H new ATOM 0 HG22 ILE A 64 -0.508 0.558 6.403 1.00 1.00 H new ATOM 0 HG23 ILE A 64 -2.095 0.173 5.695 1.00 1.00 H new ATOM 0 HD11 ILE A 64 -5.150 2.072 5.222 1.00 1.00 H new ATOM 0 HD12 ILE A 64 -3.905 0.803 5.135 1.00 1.00 H new ATOM 0 HD13 ILE A 64 -4.653 1.209 6.698 1.00 1.00 H new ATOM 970 N SER A 65 -1.247 -0.354 9.013 1.00 1.00 N ATOM 971 CA SER A 65 -0.152 -1.014 9.727 1.00 1.00 C ATOM 972 C SER A 65 0.533 -2.033 8.824 1.00 1.00 C ATOM 973 O SER A 65 1.761 -2.113 8.781 1.00 1.00 O ATOM 974 CB SER A 65 -0.702 -1.719 10.965 1.00 1.00 C ATOM 975 OG SER A 65 -1.314 -2.942 10.579 1.00 1.00 O ATOM 0 H SER A 65 -1.973 -0.989 8.680 1.00 1.00 H new ATOM 0 HA SER A 65 0.578 -0.261 10.025 1.00 1.00 H new ATOM 0 HB2 SER A 65 0.102 -1.910 11.675 1.00 1.00 H new ATOM 0 HB3 SER A 65 -1.427 -1.080 11.469 1.00 1.00 H new ATOM 0 HG SER A 65 -1.666 -3.396 11.373 1.00 1.00 H new ATOM 981 N THR A 66 -0.273 -2.817 8.107 1.00 1.00 N ATOM 982 CA THR A 66 0.258 -3.845 7.204 1.00 1.00 C ATOM 983 C THR A 66 -0.335 -3.698 5.809 1.00 1.00 C ATOM 984 O THR A 66 -1.180 -2.836 5.569 1.00 1.00 O ATOM 985 CB THR A 66 -0.052 -5.239 7.753 1.00 1.00 C ATOM 986 OG1 THR A 66 -1.457 -5.440 7.777 1.00 1.00 O ATOM 987 CG2 THR A 66 0.514 -5.376 9.168 1.00 1.00 C ATOM 0 H THR A 66 -1.291 -2.762 8.132 1.00 1.00 H new ATOM 0 HA THR A 66 1.338 -3.716 7.138 1.00 1.00 H new ATOM 0 HB THR A 66 0.408 -5.989 7.110 1.00 1.00 H new ATOM 0 HG1 THR A 66 -1.654 -6.334 8.127 1.00 1.00 H new ATOM 0 HG21 THR A 66 0.291 -6.370 9.555 1.00 1.00 H new ATOM 0 HG22 THR A 66 1.594 -5.230 9.144 1.00 1.00 H new ATOM 0 HG23 THR A 66 0.061 -4.625 9.815 1.00 1.00 H new ATOM 995 N ILE A 67 0.124 -4.537 4.887 1.00 1.00 N ATOM 996 CA ILE A 67 -0.357 -4.475 3.514 1.00 1.00 C ATOM 997 C ILE A 67 -1.865 -4.684 3.477 1.00 1.00 C ATOM 998 O ILE A 67 -2.585 -3.951 2.798 1.00 1.00 O ATOM 999 CB ILE A 67 0.322 -5.558 2.680 1.00 1.00 C ATOM 1000 CG1 ILE A 67 1.850 -5.462 2.826 1.00 1.00 C ATOM 1001 CG2 ILE A 67 -0.079 -5.423 1.214 1.00 1.00 C ATOM 1002 CD1 ILE A 67 2.350 -4.056 2.470 1.00 1.00 C ATOM 0 H ILE A 67 0.821 -5.260 5.063 1.00 1.00 H new ATOM 0 HA ILE A 67 -0.120 -3.494 3.103 1.00 1.00 H new ATOM 0 HB ILE A 67 -0.002 -6.534 3.042 1.00 1.00 H new ATOM 0 HG12 ILE A 67 2.137 -5.706 3.849 1.00 1.00 H new ATOM 0 HG13 ILE A 67 2.328 -6.197 2.178 1.00 1.00 H new ATOM 0 HG21 ILE A 67 0.412 -6.201 0.629 1.00 1.00 H new ATOM 0 HG22 ILE A 67 -1.160 -5.527 1.121 1.00 1.00 H new ATOM 0 HG23 ILE A 67 0.224 -4.444 0.842 1.00 1.00 H new ATOM 0 HD11 ILE A 67 3.434 -4.016 2.582 1.00 1.00 H new ATOM 0 HD12 ILE A 67 2.083 -3.825 1.439 1.00 1.00 H new ATOM 0 HD13 ILE A 67 1.889 -3.327 3.136 1.00 1.00 H new ATOM 1014 N GLN A 68 -2.344 -5.679 4.212 1.00 1.00 N ATOM 1015 CA GLN A 68 -3.773 -5.952 4.247 1.00 1.00 C ATOM 1016 C GLN A 68 -4.541 -4.685 4.623 1.00 1.00 C ATOM 1017 O GLN A 68 -5.592 -4.393 4.052 1.00 1.00 O ATOM 1018 CB GLN A 68 -4.064 -7.064 5.274 1.00 1.00 C ATOM 1019 CG GLN A 68 -4.042 -8.435 4.592 1.00 1.00 C ATOM 1020 CD GLN A 68 -5.324 -8.628 3.793 1.00 1.00 C ATOM 1021 OE1 GLN A 68 -5.391 -8.181 2.572 1.00 1.00 O flip ATOM 1022 NE2 GLN A 68 -6.298 -9.180 4.304 1.00 1.00 N flip ATOM 0 H GLN A 68 -1.773 -6.302 4.784 1.00 1.00 H new ATOM 0 HA GLN A 68 -4.096 -6.280 3.259 1.00 1.00 H new ATOM 0 HB2 GLN A 68 -3.322 -7.035 6.072 1.00 1.00 H new ATOM 0 HB3 GLN A 68 -5.036 -6.896 5.737 1.00 1.00 H new ATOM 0 HG2 GLN A 68 -3.176 -8.511 3.934 1.00 1.00 H new ATOM 0 HG3 GLN A 68 -3.945 -9.223 5.339 1.00 1.00 H new ATOM 0 HE21 GLN A 68 -6.243 -9.529 5.261 1.00 1.00 H new ATOM 0 HE22 GLN A 68 -7.161 -9.288 3.771 1.00 1.00 H new ATOM 1031 N GLN A 69 -4.019 -3.940 5.590 1.00 1.00 N ATOM 1032 CA GLN A 69 -4.682 -2.720 6.026 1.00 1.00 C ATOM 1033 C GLN A 69 -4.821 -1.749 4.858 1.00 1.00 C ATOM 1034 O GLN A 69 -5.882 -1.160 4.653 1.00 1.00 O ATOM 1035 CB GLN A 69 -3.879 -2.061 7.144 1.00 1.00 C ATOM 1036 CG GLN A 69 -3.718 -3.039 8.306 1.00 1.00 C ATOM 1037 CD GLN A 69 -5.075 -3.343 8.923 1.00 1.00 C ATOM 1038 OE1 GLN A 69 -5.853 -2.431 9.202 1.00 1.00 O ATOM 1039 NE2 GLN A 69 -5.401 -4.579 9.159 1.00 1.00 N ATOM 0 H GLN A 69 -3.151 -4.156 6.080 1.00 1.00 H new ATOM 0 HA GLN A 69 -5.674 -2.976 6.397 1.00 1.00 H new ATOM 0 HB2 GLN A 69 -2.900 -1.758 6.772 1.00 1.00 H new ATOM 0 HB3 GLN A 69 -4.384 -1.157 7.484 1.00 1.00 H new ATOM 0 HG2 GLN A 69 -3.255 -3.961 7.955 1.00 1.00 H new ATOM 0 HG3 GLN A 69 -3.054 -2.615 9.059 1.00 1.00 H new ATOM 0 HE21 GLN A 69 -4.752 -5.331 8.926 1.00 1.00 H new ATOM 0 HE22 GLN A 69 -6.305 -4.797 9.577 1.00 1.00 H new ATOM 1048 N ALA A 70 -3.745 -1.592 4.095 1.00 1.00 N ATOM 1049 CA ALA A 70 -3.763 -0.695 2.946 1.00 1.00 C ATOM 1050 C ALA A 70 -4.698 -1.231 1.864 1.00 1.00 C ATOM 1051 O ALA A 70 -5.452 -0.477 1.253 1.00 1.00 O ATOM 1052 CB ALA A 70 -2.347 -0.545 2.379 1.00 1.00 C ATOM 0 H ALA A 70 -2.857 -2.069 4.249 1.00 1.00 H new ATOM 0 HA ALA A 70 -4.127 0.280 3.272 1.00 1.00 H new ATOM 0 HB1 ALA A 70 -2.368 0.127 1.521 1.00 1.00 H new ATOM 0 HB2 ALA A 70 -1.690 -0.134 3.145 1.00 1.00 H new ATOM 0 HB3 ALA A 70 -1.975 -1.521 2.067 1.00 1.00 H new ATOM 1058 N ALA A 71 -4.644 -2.541 1.640 1.00 1.00 N ATOM 1059 CA ALA A 71 -5.492 -3.171 0.632 1.00 1.00 C ATOM 1060 C ALA A 71 -6.960 -3.095 1.037 1.00 1.00 C ATOM 1061 O ALA A 71 -7.839 -2.930 0.191 1.00 1.00 O ATOM 1062 CB ALA A 71 -5.085 -4.634 0.443 1.00 1.00 C ATOM 0 H ALA A 71 -4.027 -3.183 2.138 1.00 1.00 H new ATOM 0 HA ALA A 71 -5.361 -2.635 -0.308 1.00 1.00 H new ATOM 0 HB1 ALA A 71 -5.723 -5.095 -0.311 1.00 1.00 H new ATOM 0 HB2 ALA A 71 -4.046 -4.683 0.118 1.00 1.00 H new ATOM 0 HB3 ALA A 71 -5.195 -5.167 1.387 1.00 1.00 H new ATOM 1068 N ASP A 72 -7.218 -3.222 2.335 1.00 1.00 N ATOM 1069 CA ASP A 72 -8.584 -3.172 2.844 1.00 1.00 C ATOM 1070 C ASP A 72 -9.213 -1.813 2.555 1.00 1.00 C ATOM 1071 O ASP A 72 -10.391 -1.723 2.213 1.00 1.00 O ATOM 1072 CB ASP A 72 -8.585 -3.432 4.351 1.00 1.00 C ATOM 1073 CG ASP A 72 -10.019 -3.513 4.863 1.00 1.00 C ATOM 1074 OD1 ASP A 72 -10.918 -3.215 4.095 1.00 1.00 O ATOM 1075 OD2 ASP A 72 -10.197 -3.876 6.013 1.00 1.00 O ATOM 0 H ASP A 72 -6.504 -3.360 3.050 1.00 1.00 H new ATOM 0 HA ASP A 72 -9.171 -3.942 2.343 1.00 1.00 H new ATOM 0 HB2 ASP A 72 -8.059 -4.361 4.569 1.00 1.00 H new ATOM 0 HB3 ASP A 72 -8.050 -2.635 4.867 1.00 1.00 H new ATOM 1080 N VAL A 73 -8.423 -0.758 2.698 1.00 1.00 N ATOM 1081 CA VAL A 73 -8.917 0.585 2.435 1.00 1.00 C ATOM 1082 C VAL A 73 -9.033 0.836 0.933 1.00 1.00 C ATOM 1083 O VAL A 73 -10.027 1.384 0.461 1.00 1.00 O ATOM 1084 CB VAL A 73 -7.983 1.619 3.059 1.00 1.00 C ATOM 1085 CG1 VAL A 73 -8.486 3.029 2.731 1.00 1.00 C ATOM 1086 CG2 VAL A 73 -7.962 1.425 4.575 1.00 1.00 C ATOM 0 H VAL A 73 -7.447 -0.805 2.992 1.00 1.00 H new ATOM 0 HA VAL A 73 -9.907 0.677 2.881 1.00 1.00 H new ATOM 0 HB VAL A 73 -6.977 1.493 2.658 1.00 1.00 H new ATOM 0 HG11 VAL A 73 -7.819 3.766 3.177 1.00 1.00 H new ATOM 0 HG12 VAL A 73 -8.507 3.165 1.650 1.00 1.00 H new ATOM 0 HG13 VAL A 73 -9.491 3.159 3.133 1.00 1.00 H new ATOM 0 HG21 VAL A 73 -7.297 2.161 5.027 1.00 1.00 H new ATOM 0 HG22 VAL A 73 -8.969 1.554 4.972 1.00 1.00 H new ATOM 0 HG23 VAL A 73 -7.606 0.422 4.809 1.00 1.00 H new ATOM 1096 N ILE A 74 -7.997 0.445 0.190 1.00 1.00 N ATOM 1097 CA ILE A 74 -7.989 0.650 -1.256 1.00 1.00 C ATOM 1098 C ILE A 74 -9.103 -0.137 -1.937 1.00 1.00 C ATOM 1099 O ILE A 74 -9.937 0.434 -2.630 1.00 1.00 O ATOM 1100 CB ILE A 74 -6.637 0.207 -1.830 1.00 1.00 C ATOM 1101 CG1 ILE A 74 -5.536 1.141 -1.328 1.00 1.00 C ATOM 1102 CG2 ILE A 74 -6.679 0.253 -3.363 1.00 1.00 C ATOM 1103 CD1 ILE A 74 -4.167 0.516 -1.608 1.00 1.00 C ATOM 0 H ILE A 74 -7.163 -0.010 0.561 1.00 1.00 H new ATOM 0 HA ILE A 74 -8.152 1.711 -1.446 1.00 1.00 H new ATOM 0 HB ILE A 74 -6.430 -0.813 -1.505 1.00 1.00 H new ATOM 0 HG12 ILE A 74 -5.613 2.109 -1.822 1.00 1.00 H new ATOM 0 HG13 ILE A 74 -5.655 1.318 -0.259 1.00 1.00 H new ATOM 0 HG21 ILE A 74 -5.716 -0.063 -3.763 1.00 1.00 H new ATOM 0 HG22 ILE A 74 -7.459 -0.416 -3.726 1.00 1.00 H new ATOM 0 HG23 ILE A 74 -6.892 1.271 -3.691 1.00 1.00 H new ATOM 0 HD11 ILE A 74 -3.383 1.183 -1.250 1.00 1.00 H new ATOM 0 HD12 ILE A 74 -4.092 -0.442 -1.093 1.00 1.00 H new ATOM 0 HD13 ILE A 74 -4.050 0.362 -2.681 1.00 1.00 H new ATOM 1115 N GLU A 75 -9.113 -1.447 -1.730 1.00 1.00 N ATOM 1116 CA GLU A 75 -10.124 -2.298 -2.345 1.00 1.00 C ATOM 1117 C GLU A 75 -11.512 -1.709 -2.139 1.00 1.00 C ATOM 1118 O GLU A 75 -12.387 -1.845 -2.994 1.00 1.00 O ATOM 1119 CB GLU A 75 -10.052 -3.703 -1.736 1.00 1.00 C ATOM 1120 CG GLU A 75 -10.520 -3.662 -0.275 1.00 1.00 C ATOM 1121 CD GLU A 75 -12.045 -3.732 -0.194 1.00 1.00 C ATOM 1122 OE1 GLU A 75 -12.625 -4.477 -0.967 1.00 1.00 O ATOM 1123 OE2 GLU A 75 -12.606 -3.050 0.646 1.00 1.00 O ATOM 0 H GLU A 75 -8.438 -1.941 -1.146 1.00 1.00 H new ATOM 0 HA GLU A 75 -9.932 -2.359 -3.416 1.00 1.00 H new ATOM 0 HB2 GLU A 75 -10.676 -4.389 -2.308 1.00 1.00 H new ATOM 0 HB3 GLU A 75 -9.031 -4.081 -1.790 1.00 1.00 H new ATOM 0 HG2 GLU A 75 -10.083 -4.495 0.276 1.00 1.00 H new ATOM 0 HG3 GLU A 75 -10.167 -2.746 0.200 1.00 1.00 H new ATOM 1130 N GLY A 76 -11.706 -1.052 -1.004 1.00 1.00 N ATOM 1131 CA GLY A 76 -12.995 -0.445 -0.704 1.00 1.00 C ATOM 1132 C GLY A 76 -13.313 0.677 -1.687 1.00 1.00 C ATOM 1133 O GLY A 76 -14.449 0.814 -2.139 1.00 1.00 O ATOM 0 H GLY A 76 -10.996 -0.926 -0.283 1.00 1.00 H new ATOM 0 HA2 GLY A 76 -13.777 -1.203 -0.747 1.00 1.00 H new ATOM 0 HA3 GLY A 76 -12.988 -0.052 0.313 1.00 1.00 H new ATOM 1137 N LEU A 77 -12.302 1.478 -2.011 1.00 1.00 N ATOM 1138 CA LEU A 77 -12.487 2.588 -2.941 1.00 1.00 C ATOM 1139 C LEU A 77 -12.858 2.076 -4.328 1.00 1.00 C ATOM 1140 O LEU A 77 -13.735 2.629 -4.991 1.00 1.00 O ATOM 1141 CB LEU A 77 -11.202 3.418 -3.016 1.00 1.00 C ATOM 1142 CG LEU A 77 -10.986 4.160 -1.686 1.00 1.00 C ATOM 1143 CD1 LEU A 77 -9.553 4.694 -1.630 1.00 1.00 C ATOM 1144 CD2 LEU A 77 -11.972 5.340 -1.551 1.00 1.00 C ATOM 0 H LEU A 77 -11.354 1.381 -1.647 1.00 1.00 H new ATOM 0 HA LEU A 77 -13.302 3.214 -2.578 1.00 1.00 H new ATOM 0 HB2 LEU A 77 -10.351 2.770 -3.224 1.00 1.00 H new ATOM 0 HB3 LEU A 77 -11.267 4.133 -3.836 1.00 1.00 H new ATOM 0 HG LEU A 77 -11.160 3.462 -0.867 1.00 1.00 H new ATOM 0 HD11 LEU A 77 -9.397 5.220 -0.688 1.00 1.00 H new ATOM 0 HD12 LEU A 77 -8.852 3.863 -1.701 1.00 1.00 H new ATOM 0 HD13 LEU A 77 -9.388 5.380 -2.461 1.00 1.00 H new ATOM 0 HD21 LEU A 77 -11.801 5.850 -0.603 1.00 1.00 H new ATOM 0 HD22 LEU A 77 -11.817 6.039 -2.373 1.00 1.00 H new ATOM 0 HD23 LEU A 77 -12.995 4.965 -1.582 1.00 1.00 H new ATOM 1156 N LEU A 78 -12.183 1.019 -4.763 1.00 1.00 N ATOM 1157 CA LEU A 78 -12.455 0.449 -6.076 1.00 1.00 C ATOM 1158 C LEU A 78 -13.889 -0.070 -6.148 1.00 1.00 C ATOM 1159 O LEU A 78 -14.579 0.128 -7.148 1.00 1.00 O ATOM 1160 CB LEU A 78 -11.472 -0.699 -6.346 1.00 1.00 C ATOM 1161 CG LEU A 78 -10.128 -0.142 -6.844 1.00 1.00 C ATOM 1162 CD1 LEU A 78 -10.270 0.458 -8.261 1.00 1.00 C ATOM 1163 CD2 LEU A 78 -9.633 0.927 -5.865 1.00 1.00 C ATOM 0 H LEU A 78 -11.452 0.544 -4.233 1.00 1.00 H new ATOM 0 HA LEU A 78 -12.330 1.225 -6.831 1.00 1.00 H new ATOM 0 HB2 LEU A 78 -11.319 -1.278 -5.435 1.00 1.00 H new ATOM 0 HB3 LEU A 78 -11.890 -1.378 -7.089 1.00 1.00 H new ATOM 0 HG LEU A 78 -9.405 -0.956 -6.896 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -9.306 0.845 -8.590 1.00 1.00 H new ATOM 0 HD12 LEU A 78 -10.606 -0.316 -8.952 1.00 1.00 H new ATOM 0 HD13 LEU A 78 -10.999 1.268 -8.242 1.00 1.00 H new ATOM 0 HD21 LEU A 78 -8.680 1.326 -6.213 1.00 1.00 H new ATOM 0 HD22 LEU A 78 -10.364 1.733 -5.807 1.00 1.00 H new ATOM 0 HD23 LEU A 78 -9.502 0.484 -4.878 1.00 1.00 H new